smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CC(=O)[N-]OC[C@H]1CCOC1)c1c[nH]c2ccccc21 ZINC000278280528 214063933 /nfs/dbraw/zinc/06/39/33/214063933.db2.gz AWZJCDMUVFWPNW-STQMWFEESA-N -1 3 302.374 2.746 20 0 DFADHM CC1(CCCCSc2n[n-]c(-c3ccccn3)n2)OCCO1 ZINC000278610154 214272150 /nfs/dbraw/zinc/27/21/50/214272150.db2.gz RPZLMEAFYQITJZ-UHFFFAOYSA-N -1 3 320.418 2.892 20 0 DFADHM CC(C)N1CCC[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000278618309 214279707 /nfs/dbraw/zinc/27/97/07/214279707.db2.gz LTBOAFVNJHAXTI-LLVKDONJSA-N -1 3 314.788 2.787 20 0 DFADHM Cc1ccc([C@H]2C[C@@H](C)N(c3nc4nncc-4c(O)[n-]3)C2)cc1 ZINC000278684464 214323969 /nfs/dbraw/zinc/32/39/69/214323969.db2.gz DQAVOANPQNAPQR-YPMHNXCESA-N -1 3 309.373 2.749 20 0 DFADHM O=c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c[nH]1 ZINC000311940114 231119373 /nfs/dbraw/zinc/11/93/73/231119373.db2.gz HSSNKEUTEPKVJH-UHFFFAOYSA-N -1 3 319.169 2.895 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c1F ZINC000313204829 231123578 /nfs/dbraw/zinc/12/35/78/231123578.db2.gz DQYJWVMLOANTEN-UONOGXRCSA-N -1 3 305.374 2.969 20 0 DFADHM CCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)C[C@H]1CCCO1 ZINC000459328503 299081620 /nfs/dbraw/zinc/08/16/20/299081620.db2.gz QEUWVSIMVNEMQP-MRXNPFEDSA-N -1 3 313.401 2.850 20 0 DFADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C)o1)c1nc(C)cs1 ZINC000330637278 529507936 /nfs/dbraw/zinc/50/79/36/529507936.db2.gz ABQSRUJSPKZPRJ-CYBMUJFWSA-N -1 3 314.432 2.957 20 0 DFADHM CN(Cc1ccccc1Cl)CC1(O)CCC(C(=O)[O-])CC1 ZINC000234303073 398359987 /nfs/dbraw/zinc/35/99/87/398359987.db2.gz QSHJQJZQYUOAFP-UHFFFAOYSA-N -1 3 311.809 2.778 20 0 DFADHM COC(=O)C[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000234536660 398360045 /nfs/dbraw/zinc/36/00/45/398360045.db2.gz WSXJECVEPRXTAO-JTQLQIEISA-N -1 3 311.765 2.603 20 0 DFADHM CCc1cc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1[O-] ZINC000294781432 529515563 /nfs/dbraw/zinc/51/55/63/529515563.db2.gz KCKSYFFXIVLHPU-SJLPKXTDSA-N -1 3 301.386 2.738 20 0 DFADHM CCc1nc2n(n1)CCC[C@H]2[N-]C(=O)C(F)(F)c1ccccc1 ZINC000088197089 185241585 /nfs/dbraw/zinc/24/15/85/185241585.db2.gz YDRCEMCSCWZOIM-GFCCVEGCSA-N -1 3 320.343 2.584 20 0 DFADHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccccc2F)c(C)c1 ZINC000008059975 398368787 /nfs/dbraw/zinc/36/87/87/398368787.db2.gz IHCKTYDWPKWFSU-UHFFFAOYSA-N -1 3 323.389 2.800 20 0 DFADHM Cn1ncc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1C(F)F ZINC000066331688 398370081 /nfs/dbraw/zinc/37/00/81/398370081.db2.gz NDBNMDDXXHCZOB-UHFFFAOYSA-N -1 3 315.349 2.759 20 0 DFADHM COCC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459346367 299084478 /nfs/dbraw/zinc/08/44/78/299084478.db2.gz OZLXOBYXOTYHAU-UHFFFAOYSA-N -1 3 313.401 2.708 20 0 DFADHM Cc1ccccc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000008168176 398370671 /nfs/dbraw/zinc/37/06/71/398370671.db2.gz OTCIRVSZNFCWMM-UHFFFAOYSA-N -1 3 315.316 2.891 20 0 DFADHM CCc1cccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000081808635 398371356 /nfs/dbraw/zinc/37/13/56/398371356.db2.gz UMVAUKMRRUWOGG-ZDUSSCGKSA-N -1 3 319.401 2.758 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(CCC(=O)OC)cc1 ZINC000292804933 529671018 /nfs/dbraw/zinc/67/10/18/529671018.db2.gz BUZIMUBEIGRQBP-LBPRGKRZSA-N -1 3 308.378 2.891 20 0 DFADHM COC(=O)c1cnc(SCc2c(C)cc(C)nc2OC)[n-]1 ZINC000286597633 219072996 /nfs/dbraw/zinc/07/29/96/219072996.db2.gz SPAICMGBRVZVKS-UHFFFAOYSA-N -1 3 307.375 2.509 20 0 DFADHM CN(C)CCN(Cc1cccs1)C(=O)c1cc(F)ccc1[O-] ZINC000092427101 185317323 /nfs/dbraw/zinc/31/73/23/185317323.db2.gz CRIWKGPSXHHXAD-UHFFFAOYSA-N -1 3 322.405 2.797 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(F)c(F)c1 ZINC000016088107 398398249 /nfs/dbraw/zinc/39/82/49/398398249.db2.gz FWTHZCNPPWWDGR-ZETCQYMHSA-N -1 3 316.329 2.609 20 0 DFADHM CCCN(CCN1CCCC1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000286619521 219086835 /nfs/dbraw/zinc/08/68/35/219086835.db2.gz CFWLJHTUHFNRBA-UHFFFAOYSA-N -1 3 310.825 2.994 20 0 DFADHM CC[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)[C@@H]1CCCO1 ZINC000459403841 299097754 /nfs/dbraw/zinc/09/77/54/299097754.db2.gz LSGSRASAZCRHRE-HOTGVXAUSA-N -1 3 313.401 2.896 20 0 DFADHM CCCN(CCCCC(=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000181551993 199315915 /nfs/dbraw/zinc/31/59/15/199315915.db2.gz QDRHDJXILJBWKA-AWEZNQCLSA-N -1 3 306.406 2.981 20 0 DFADHM CCc1nc(C)c(C(=O)[N-]c2nc(SC)ns2)s1 ZINC000084622311 398405626 /nfs/dbraw/zinc/40/56/26/398405626.db2.gz VZWNQYMEOLJKKE-UHFFFAOYSA-N -1 3 300.434 2.840 20 0 DFADHM Cc1ccc(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000066897304 398405829 /nfs/dbraw/zinc/40/58/29/398405829.db2.gz BVSPAWROFIWBBN-CPUCHLNUSA-N -1 3 320.433 2.773 20 0 DFADHM COc1ccc(C(=O)NCCSc2ccccc2)c([O-])c1 ZINC000018214296 398406463 /nfs/dbraw/zinc/40/64/63/398406463.db2.gz NHWHQSMDMJMUPM-UHFFFAOYSA-N -1 3 303.383 2.923 20 0 DFADHM C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000584759210 398407241 /nfs/dbraw/zinc/40/72/41/398407241.db2.gz DBJINPVGPNRPKU-SCZZXKLOSA-N -1 3 314.179 2.766 20 0 DFADHM CC(C)[C@@H](O)CCNCc1cccc([O-])c1Br ZINC000459414701 299100523 /nfs/dbraw/zinc/10/05/23/299100523.db2.gz QTEDYMAQHSZIFU-NSHDSACASA-N -1 3 302.212 2.651 20 0 DFADHM Cc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)c([O-])c1 ZINC000021065642 398411720 /nfs/dbraw/zinc/41/17/20/398411720.db2.gz XLIMRNZJXNVYPB-UHFFFAOYSA-N -1 3 309.369 2.940 20 0 DFADHM CCc1cc(C(=O)N[C@@H](C(=O)OC)C2CCCCC2)ccc1[O-] ZINC000584815226 398414687 /nfs/dbraw/zinc/41/46/87/398414687.db2.gz NFCWHWRZMGDLJU-MRXNPFEDSA-N -1 3 319.401 2.806 20 0 DFADHM CCOc1ccc(SCC(=O)Nc2ncccc2[O-])cc1 ZINC000022263989 398417653 /nfs/dbraw/zinc/41/76/53/398417653.db2.gz HHQIMYVEIUGNHB-UHFFFAOYSA-N -1 3 304.371 2.917 20 0 DFADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@H](O)[C@@H](C)C3)c2c1 ZINC000584843282 398421196 /nfs/dbraw/zinc/42/11/96/398421196.db2.gz NVTJEWJNPWVOJJ-WFASDCNBSA-N -1 3 314.385 2.757 20 0 DFADHM CNC(=O)c1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1 ZINC000023204693 398423149 /nfs/dbraw/zinc/42/31/49/398423149.db2.gz AKGVDOLTYMQIJZ-UHFFFAOYSA-N -1 3 320.352 2.689 20 0 DFADHM CN(C[C@@H]1CCCC[C@H]1O)C(=O)Cc1ccc([O-])cc1Cl ZINC000305859159 529947436 /nfs/dbraw/zinc/94/74/36/529947436.db2.gz XNLSVLQVYNZKQU-SWLSCSKDSA-N -1 3 311.809 2.598 20 0 DFADHM [O-]c1cccc(CN[C@@H]2CCc3c[nH]nc3C2)c1Br ZINC000459437438 299106127 /nfs/dbraw/zinc/10/61/27/299106127.db2.gz KQXKVDLGWUSSSI-LLVKDONJSA-N -1 3 322.206 2.525 20 0 DFADHM CC[C@H](C)[C@@H](O)CNCc1cccc([O-])c1Br ZINC000459436098 299106651 /nfs/dbraw/zinc/10/66/51/299106651.db2.gz WWHYPCCMDNHPLK-CABZTGNLSA-N -1 3 302.212 2.651 20 0 DFADHM CO[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC[C@@H]1C ZINC000459448218 299108485 /nfs/dbraw/zinc/10/84/85/299108485.db2.gz RWUYMHQNGFIRRQ-XJKSGUPXSA-N -1 3 313.401 2.706 20 0 DFADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(C)C)cc2)n1 ZINC000330713555 232012787 /nfs/dbraw/zinc/01/27/87/232012787.db2.gz RHANEIOCAWVFKR-SNVBAGLBSA-N -1 3 309.391 2.541 20 0 DFADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1cocn1 ZINC000596615062 398461366 /nfs/dbraw/zinc/46/13/66/398461366.db2.gz BMJRILCUHYNWGM-UHFFFAOYSA-N -1 3 321.185 2.601 20 0 DFADHM CCOC(=O)CCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000280792565 398461674 /nfs/dbraw/zinc/46/16/74/398461674.db2.gz LFQHDMJPLMXCDS-UHFFFAOYSA-N -1 3 301.342 2.619 20 0 DFADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000067812257 398458303 /nfs/dbraw/zinc/45/83/03/398458303.db2.gz MXLHAHYTMFLWEN-ZBFHGGJFSA-N -1 3 304.349 2.814 20 0 DFADHM C[C@@H]1CC(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)C[C@@H](C)C1 ZINC000330831064 232099863 /nfs/dbraw/zinc/09/98/63/232099863.db2.gz URZJMPXKGUXOLM-RYUDHWBXSA-N -1 3 324.446 2.613 20 0 DFADHM CSCc1cnc(CNC[C@@H](C(=O)[O-])C2CCC2)s1 ZINC000596657416 398472630 /nfs/dbraw/zinc/47/26/30/398472630.db2.gz LHINBRGTNVBGDV-LLVKDONJSA-N -1 3 300.449 2.597 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CC[C@@]2(C)CCC(=O)N2)c1[O-] ZINC000330819087 232090305 /nfs/dbraw/zinc/09/03/05/232090305.db2.gz MWJPWFVLLCLMQI-HNNXBMFYSA-N -1 3 310.781 2.741 20 0 DFADHM COc1ccnc([N-]C(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000089984107 398473561 /nfs/dbraw/zinc/47/35/61/398473561.db2.gz LRYYYDPLPXSXNP-UHFFFAOYSA-N -1 3 300.211 2.899 20 0 DFADHM COc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c(OC)c1 ZINC000028276456 398472966 /nfs/dbraw/zinc/47/29/66/398472966.db2.gz UWFXJUBFRKWASG-UHFFFAOYSA-N -1 3 313.313 2.939 20 0 DFADHM COc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c(OC)c1 ZINC000028276456 398472971 /nfs/dbraw/zinc/47/29/71/398472971.db2.gz UWFXJUBFRKWASG-UHFFFAOYSA-N -1 3 313.313 2.939 20 0 DFADHM CCOC1CC(N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459488636 299119360 /nfs/dbraw/zinc/11/93/60/299119360.db2.gz ZNZIMEZGWGPPJF-UHFFFAOYSA-N -1 3 313.401 2.849 20 0 DFADHM CCOC(=O)[C@@H](CC)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000413708812 295734548 /nfs/dbraw/zinc/73/45/48/295734548.db2.gz FCADMAHSRLKXKY-NEPJUHHUSA-N -1 3 305.374 2.822 20 0 DFADHM Clc1nc2ccccn2c1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000181800170 199353511 /nfs/dbraw/zinc/35/35/11/199353511.db2.gz PURNWCSRFNUBQW-SNVBAGLBSA-N -1 3 319.752 2.834 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)CC[C@@H](C)OC)c1[O-] ZINC000588100519 398482123 /nfs/dbraw/zinc/48/21/23/398482123.db2.gz DWZAZSXBBFFSDY-MRVPVSSYSA-N -1 3 315.753 2.586 20 0 DFADHM CC[C@@H](SC)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588097269 398482233 /nfs/dbraw/zinc/48/22/33/398482233.db2.gz DRVFELXTHVPTDU-SNVBAGLBSA-N -1 3 317.794 2.912 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccncc2C)c1[O-] ZINC000588099238 398482273 /nfs/dbraw/zinc/48/22/73/398482273.db2.gz MIFCIPGKTZPKFW-UHFFFAOYSA-N -1 3 320.732 2.788 20 0 DFADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000592784765 398485098 /nfs/dbraw/zinc/48/50/98/398485098.db2.gz UPSRTFDPORPXRQ-CHWSQXEVSA-N -1 3 317.385 2.649 20 0 DFADHM [O-]c1cccc(CN[C@@H]2C[C@H]3OCCC[C@H]23)c1Br ZINC000459501340 299122217 /nfs/dbraw/zinc/12/22/17/299122217.db2.gz DATBKYLHVYJWPA-NQBHXWOUSA-N -1 3 312.207 2.812 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c([O-])c1 ZINC000029770425 398492517 /nfs/dbraw/zinc/49/25/17/398492517.db2.gz QRKFTZXLQDZJCF-SNVBAGLBSA-N -1 3 312.325 2.672 20 0 DFADHM CC[C@H](NC(=O)c1cccc([O-])c1)c1nnc2n1CCCCC2 ZINC000272714798 210119617 /nfs/dbraw/zinc/11/96/17/210119617.db2.gz DFPUCLCQBKZDLD-AWEZNQCLSA-N -1 3 314.389 2.591 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C(N)=O)C(C)C)c(Cl)cc1F ZINC000330999313 232312617 /nfs/dbraw/zinc/31/26/17/232312617.db2.gz NEJBLIDQPWPXPW-NSHDSACASA-N -1 3 322.789 2.626 20 0 DFADHM COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000272706634 210111378 /nfs/dbraw/zinc/11/13/78/210111378.db2.gz CNKULPQDXRTSLK-GJZGRUSLSA-N -1 3 305.374 2.634 20 0 DFADHM O=C([N-]c1ncc(Cc2ccc(F)cc2)s1)c1csnn1 ZINC000058510973 282439632 /nfs/dbraw/zinc/43/96/32/282439632.db2.gz STORSGLZRZPEDT-UHFFFAOYSA-N -1 3 320.374 2.977 20 0 DFADHM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000303832773 398500060 /nfs/dbraw/zinc/50/00/60/398500060.db2.gz LUKUTLPAVRBAID-UHFFFAOYSA-N -1 3 307.390 2.964 20 0 DFADHM CO[C@H]1C[C@@H](N(C)Cc2cccc([O-])c2Br)C1 ZINC000459536039 299128399 /nfs/dbraw/zinc/12/83/99/299128399.db2.gz AILPAMSANVAJGK-PHIMTYICSA-N -1 3 300.196 2.764 20 0 DFADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000592940936 398509679 /nfs/dbraw/zinc/50/96/79/398509679.db2.gz UEFFZKRJXLNUPI-NEPJUHHUSA-N -1 3 305.374 2.632 20 0 DFADHM COCCCO[N-]C(=O)Nc1ccccc1Br ZINC000286819072 219182042 /nfs/dbraw/zinc/18/20/42/219182042.db2.gz CDAOFBXHCVTZGX-UHFFFAOYSA-N -1 3 303.156 2.539 20 0 DFADHM CN(CCCN(C)C(=O)c1ccc([O-])cc1F)Cc1ccco1 ZINC000286828260 219185856 /nfs/dbraw/zinc/18/58/56/219185856.db2.gz WXUMPMSUOZWDTQ-UHFFFAOYSA-N -1 3 320.364 2.718 20 0 DFADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1n[nH]c2ccccc21 ZINC000031565329 398517938 /nfs/dbraw/zinc/51/79/38/398517938.db2.gz DOXMUZXORSKEAW-UHFFFAOYSA-N -1 3 313.264 2.686 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)oc1C)c1c(C)noc1C ZINC000183330033 199575949 /nfs/dbraw/zinc/57/59/49/199575949.db2.gz HOMPPLVXCKNUHD-LBPRGKRZSA-N -1 3 312.391 2.931 20 0 DFADHM Cc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)o1 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310.810 2.997 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H](C)Cc2ccccc2Cl)n1 ZINC000270014626 208069317 /nfs/dbraw/zinc/06/93/17/208069317.db2.gz NABSKNIQRLGHER-QMMMGPOBSA-N -1 3 310.810 2.997 20 0 DFADHM CSc1nc(NC(=O)[C@@H](C)Cc2ccccc2Cl)n[n-]1 ZINC000270014626 208069322 /nfs/dbraw/zinc/06/93/22/208069322.db2.gz NABSKNIQRLGHER-QMMMGPOBSA-N -1 3 310.810 2.997 20 0 DFADHM CC(C)CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631895113 399521738 /nfs/dbraw/zinc/52/17/38/399521738.db2.gz MGXGVPHOHGDTFH-MNOVXSKESA-N -1 3 318.464 2.732 20 0 DFADHM O=C(CNC(=O)C1CCCCC1)Nc1ccc(Cl)cc1[O-] ZINC000270080458 208139968 /nfs/dbraw/zinc/13/99/68/208139968.db2.gz MUIPTIDSSWWVMB-UHFFFAOYSA-N -1 3 310.781 2.681 20 0 DFADHM COC[C@H](NC(=O)c1cc(SC)ccc1[O-])c1ccco1 ZINC000611805374 399529643 /nfs/dbraw/zinc/52/96/43/399529643.db2.gz YJODCBOSNAQXEK-LBPRGKRZSA-N -1 3 307.371 2.825 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C1CCOCC1 ZINC000270237178 208303412 /nfs/dbraw/zinc/30/34/12/208303412.db2.gz 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/nfs/dbraw/zinc/54/76/46/399547646.db2.gz PMXGUNDVHZYYBM-SECBINFHSA-N -1 3 305.765 2.523 20 0 DFADHM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000625415415 399550221 /nfs/dbraw/zinc/55/02/21/399550221.db2.gz SRRLORMBAVGXKE-GFCCVEGCSA-N -1 3 323.817 2.555 20 0 DFADHM CCOc1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)nc1C ZINC000620646919 399554371 /nfs/dbraw/zinc/55/43/71/399554371.db2.gz ZCTUCXCTHUZDGS-UHFFFAOYSA-N -1 3 314.267 2.783 20 0 DFADHM CCOc1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)nc1C ZINC000620646919 399554374 /nfs/dbraw/zinc/55/43/74/399554374.db2.gz ZCTUCXCTHUZDGS-UHFFFAOYSA-N -1 3 314.267 2.783 20 0 DFADHM CCN(CCc1nccs1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000158876022 197308015 /nfs/dbraw/zinc/30/80/15/197308015.db2.gz GTOJEQUQIMUWDZ-UHFFFAOYSA-N -1 3 323.393 2.762 20 0 DFADHM CC(C)COc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000288641521 220315212 /nfs/dbraw/zinc/31/52/12/220315212.db2.gz SYMUDAMDNQJHIO-UHFFFAOYSA-N -1 3 311.325 2.562 20 0 DFADHM COCc1ccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1OC ZINC000629270678 399556933 /nfs/dbraw/zinc/55/69/33/399556933.db2.gz IXQFJCJPVQUHLS-NSHDSACASA-N -1 3 319.361 2.577 20 0 DFADHM CCC(F)(F)C[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000625453707 399559670 /nfs/dbraw/zinc/55/96/70/399559670.db2.gz CFTHOIYWSLGSKX-UHFFFAOYSA-N -1 3 314.357 2.867 20 0 DFADHM CCC(F)(F)C[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000625454204 399560072 /nfs/dbraw/zinc/56/00/72/399560072.db2.gz QMHDFYAIZWZWCE-UHFFFAOYSA-N -1 3 320.386 2.928 20 0 DFADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000288676960 220341980 /nfs/dbraw/zinc/34/19/80/220341980.db2.gz UAVNTSQQSIWWJA-SECBINFHSA-N -1 3 311.325 2.541 20 0 DFADHM CCO[C@@H](CS(=O)(=O)[N-]c1ccc2ccn(C)c2c1)C1CC1 ZINC000629287707 399564860 /nfs/dbraw/zinc/56/48/60/399564860.db2.gz UNLKBFBERLWNFQ-INIZCTEOSA-N -1 3 322.430 2.735 20 0 DFADHM CCOC(=O)c1cnc(C)c(C(=O)Nc2ccccc2[O-])c1 ZINC000347744971 285156171 /nfs/dbraw/zinc/15/61/71/285156171.db2.gz VTFCCWJBDFCKTI-UHFFFAOYSA-N -1 3 300.314 2.525 20 0 DFADHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000625494546 399571412 /nfs/dbraw/zinc/57/14/12/399571412.db2.gz NJDQQJMRTQABTA-UHFFFAOYSA-N -1 3 310.341 2.571 20 0 DFADHM O=C([O-])c1cccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000263414977 304259577 /nfs/dbraw/zinc/25/95/77/304259577.db2.gz MUXCOWPLGFLUTO-HZPDHXFCSA-N -1 3 301.386 2.918 20 0 DFADHM O=C([O-])c1cccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000263414976 304259496 /nfs/dbraw/zinc/25/94/96/304259496.db2.gz MUXCOWPLGFLUTO-HOTGVXAUSA-N -1 3 301.386 2.918 20 0 DFADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2c[nH]c(=O)s2)c2ccccc21 ZINC000632124089 399576852 /nfs/dbraw/zinc/57/68/52/399576852.db2.gz RHPNYAHUXWFOQD-NSHDSACASA-N -1 3 324.427 2.550 20 0 DFADHM Cc1cn(C2CCOCC2)nc1C(=O)Nc1cc(F)ccc1[O-] ZINC000632139399 399580665 /nfs/dbraw/zinc/58/06/65/399580665.db2.gz PYJPHLBMJPNNIW-UHFFFAOYSA-N -1 3 319.336 2.640 20 0 DFADHM CCOCCCN(Cc1ccncc1Cl)C[C@@H](C)C(=O)[O-] ZINC000629363154 399578272 /nfs/dbraw/zinc/57/82/72/399578272.db2.gz BMWUYKGCVXTOPT-GFCCVEGCSA-N -1 3 314.813 2.684 20 0 DFADHM O=C(NCc1nc(C2CC2)cs1)NCc1ccc([O-])c(F)c1 ZINC000157367917 197182614 /nfs/dbraw/zinc/18/26/14/197182614.db2.gz MDGBWVKXQUUPAR-UHFFFAOYSA-N -1 3 321.377 2.865 20 0 DFADHM CC1(C)CC[C@@H](CN2CCC(c3ncc(C(=O)[O-])s3)CC2)O1 ZINC000629368495 399581675 /nfs/dbraw/zinc/58/16/75/399581675.db2.gz AVMJCTPNNFJINP-LBPRGKRZSA-N -1 3 324.446 2.978 20 0 DFADHM CO[C@]1(C(=O)[O-])CCN(CCSc2ccc(Cl)cc2)C1 ZINC000629370906 399582479 /nfs/dbraw/zinc/58/24/79/399582479.db2.gz BMHFRBUWYDZLLX-CQSZACIVSA-N -1 3 315.822 2.608 20 0 DFADHM Cc1nnc([C@H]2CN(Cc3cc([O-])ccc3Cl)C[C@@H](C)O2)o1 ZINC000625544454 399582939 /nfs/dbraw/zinc/58/29/39/399582939.db2.gz VVGCECIMMXZGCD-YMTOWFKASA-N -1 3 323.780 2.699 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]CCc1cccc(C)c1 ZINC000157329947 197179555 /nfs/dbraw/zinc/17/95/55/197179555.db2.gz SNUHKHYJNFUACF-UHFFFAOYSA-N -1 3 311.428 2.586 20 0 DFADHM COc1nc(C)cc(C)c1CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629373389 399583505 /nfs/dbraw/zinc/58/35/05/399583505.db2.gz IRQPQCZOXNYZBF-DZKIICNBSA-N -1 3 318.417 2.782 20 0 DFADHM CC1(C(=O)C[N-]S(=O)(=O)CCC2CCCC2)CCCC1 ZINC000625548435 399584351 /nfs/dbraw/zinc/58/43/51/399584351.db2.gz DGEGMCDXBDXFEI-UHFFFAOYSA-N -1 3 301.452 2.636 20 0 DFADHM CC1(C)C[S@](=O)CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000602814156 399585797 /nfs/dbraw/zinc/58/57/97/399585797.db2.gz JTLMDIXFRGEQNT-OAQYLSRUSA-N -1 3 321.364 2.754 20 0 DFADHM CO[C@H](CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000629379476 399586839 /nfs/dbraw/zinc/58/68/39/399586839.db2.gz YFIFSGVGKDLXFW-MWDXBVQZSA-N -1 3 303.402 2.949 20 0 DFADHM CC[C@H](NC(=O)/C=C/c1cncc([O-])c1)c1nc2ccccc2[nH]1 ZINC000492400839 299581689 /nfs/dbraw/zinc/58/16/89/299581689.db2.gz SMKRYKGXYFKJRF-NPQIQWPPSA-N -1 3 322.368 2.944 20 0 DFADHM CCc1cc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)ccc1[O-] ZINC000620786487 399597483 /nfs/dbraw/zinc/59/74/83/399597483.db2.gz TYYJXIWQUIATPC-GFCCVEGCSA-N -1 3 317.307 2.748 20 0 DFADHM CC(=O)Nc1ccc(C)c(NC([O-])=NOCCC(F)(F)F)c1 ZINC000156547614 197121911 /nfs/dbraw/zinc/12/19/11/197121911.db2.gz WIMKANZCOMNQFL-UHFFFAOYSA-N -1 3 319.283 2.959 20 0 DFADHM CC(=O)Nc1ccc(C)c(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000156547614 197121913 /nfs/dbraw/zinc/12/19/13/197121913.db2.gz WIMKANZCOMNQFL-UHFFFAOYSA-N -1 3 319.283 2.959 20 0 DFADHM CCCCc1nnc(NC([O-])=NOCCC(F)(F)F)s1 ZINC000156162323 197090659 /nfs/dbraw/zinc/09/06/59/197090659.db2.gz FZKJXCGECYCHRE-UHFFFAOYSA-N -1 3 312.317 2.886 20 0 DFADHM CCCCc1nnc(NC(=O)[N-]OCCC(F)(F)F)s1 ZINC000156162323 197090660 /nfs/dbraw/zinc/09/06/60/197090660.db2.gz FZKJXCGECYCHRE-UHFFFAOYSA-N -1 3 312.317 2.886 20 0 DFADHM CCC[C@@H]1C[C@@H]1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155588069 197069274 /nfs/dbraw/zinc/06/92/74/197069274.db2.gz FTSHXVNBLZLNQZ-YGRLFVJLSA-N -1 3 302.349 2.894 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(C)s1 ZINC000155219519 197034381 /nfs/dbraw/zinc/03/43/81/197034381.db2.gz QYJOGRGVZBDCFC-UHFFFAOYSA-N -1 3 303.430 2.605 20 0 DFADHM CCN1C[C@@H](C)N(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@@H]1C ZINC000632216315 399607433 /nfs/dbraw/zinc/60/74/33/399607433.db2.gz FIIGTOAZESPNBP-NWDGAFQWSA-N -1 3 310.825 2.529 20 0 DFADHM Cc1nnc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000620840633 399611651 /nfs/dbraw/zinc/61/16/51/399611651.db2.gz SKIQMXBMYHRBMD-UHFFFAOYSA-N -1 3 305.403 2.948 20 0 DFADHM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c(C)c2)nc1C ZINC000347943590 285261303 /nfs/dbraw/zinc/26/13/03/285261303.db2.gz KRWUDZIZQAGRJT-CYBMUJFWSA-N -1 3 321.446 2.868 20 0 DFADHM Cc1ccc(C(=O)Nc2cnn(Cc3ccccn3)c2)c([O-])c1C ZINC000624254239 399615196 /nfs/dbraw/zinc/61/51/96/399615196.db2.gz FOHQPQZFYGCRSF-UHFFFAOYSA-N -1 3 322.368 2.901 20 0 DFADHM CCn1cc(S(=O)(=O)[N-]CC[C@H]2CCC[C@@H](C)C2)nc1C ZINC000347948134 285264077 /nfs/dbraw/zinc/26/40/77/285264077.db2.gz RIUNLKMVEQCFMP-TZMCWYRMSA-N -1 3 313.467 2.706 20 0 DFADHM O=C(/C=C/c1cccc(C(F)(F)F)c1)[N-]O[C@@H]1CCOC1 ZINC000492469692 299594764 /nfs/dbraw/zinc/59/47/64/299594764.db2.gz GPBMNHWJRGJEMN-ZYOFXKKJSA-N -1 3 301.264 2.555 20 0 DFADHM COc1cc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)cc(OC)c1[O-] ZINC000120470452 195172000 /nfs/dbraw/zinc/17/20/00/195172000.db2.gz BLJYAQCMTBKXCF-NWDGAFQWSA-N -1 3 307.390 2.918 20 0 DFADHM COc1cccc2c(C(=O)Nc3ccc4n[nH]cc4c3)[n-]nc21 ZINC000347965560 285273511 /nfs/dbraw/zinc/27/35/11/285273511.db2.gz RRGJYALJWKDPIZ-UHFFFAOYSA-N -1 3 307.313 2.700 20 0 DFADHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)C)C2)nc1C ZINC000347966430 285273563 /nfs/dbraw/zinc/27/35/63/285273563.db2.gz QRLMXDUSBLMXEF-ZIAGYGMSSA-N -1 3 313.467 2.705 20 0 DFADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000492473321 299596115 /nfs/dbraw/zinc/59/61/15/299596115.db2.gz MLFUPNBHRYBYSC-LUNNPTDRSA-N -1 3 324.380 2.871 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120657366 195209595 /nfs/dbraw/zinc/20/95/95/195209595.db2.gz INNSNDCYUCLYMX-CYBMUJFWSA-N -1 3 321.384 2.608 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120657366 195209600 /nfs/dbraw/zinc/20/96/00/195209600.db2.gz INNSNDCYUCLYMX-CYBMUJFWSA-N -1 3 321.384 2.608 20 0 DFADHM CCN1CCc2nc(NC(=O)c3cc(C)ccc3[O-])sc2C1 ZINC000120669444 195211668 /nfs/dbraw/zinc/21/16/68/195211668.db2.gz YWMZYKQTZIYNFC-UHFFFAOYSA-N -1 3 317.414 2.787 20 0 DFADHM C[C@]1(C(=O)[O-])CCCN1Cc1cc(F)ccc1OC(F)F ZINC000629493806 399621851 /nfs/dbraw/zinc/62/18/51/399621851.db2.gz YPZRVBYJACTVTN-CQSZACIVSA-N -1 3 303.280 2.866 20 0 DFADHM Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000629499147 399623962 /nfs/dbraw/zinc/62/39/62/399623962.db2.gz PZWIUDHCGGIWTH-OFQRWUPVSA-N -1 3 318.417 2.673 20 0 DFADHM CC[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)OC ZINC000289506818 221026593 /nfs/dbraw/zinc/02/65/93/221026593.db2.gz LKOYBOQLOQUGGT-MRVPVSSYSA-N -1 3 312.218 2.697 20 0 DFADHM COCCCN(Cc1ccncc1)Cc1nc(C)ccc1[O-] ZINC000289548688 221059025 /nfs/dbraw/zinc/05/90/25/221059025.db2.gz XKRVBDLMUINMAL-UHFFFAOYSA-N -1 3 301.390 2.529 20 0 DFADHM CCN(Cc1c(CO)cnc(C)c1[O-])c1nc(C(C)C)ns1 ZINC000624284439 399626248 /nfs/dbraw/zinc/62/62/48/399626248.db2.gz RGNPVMHOIHDARC-UHFFFAOYSA-N -1 3 322.434 2.589 20 0 DFADHM CCc1onc(C)c1NC(=O)c1[n-]nc2c1cccc2OC ZINC000289574116 221078182 /nfs/dbraw/zinc/07/81/82/221078182.db2.gz ZZZHXDLGVLDILS-UHFFFAOYSA-N -1 3 300.318 2.683 20 0 DFADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cscc1Br ZINC000632301784 399630296 /nfs/dbraw/zinc/63/02/96/399630296.db2.gz NCNVCTFHOMKPAX-HTRCEHHLSA-N -1 3 310.238 2.587 20 0 DFADHM COCc1nc(S[C@H](C)C(=O)C2(c3ccccc3)CC2)n[n-]1 ZINC000289778555 221218755 /nfs/dbraw/zinc/21/87/55/221218755.db2.gz WTCUFEICHHNQDZ-LLVKDONJSA-N -1 3 317.414 2.733 20 0 DFADHM CC[C@@H](C)Oc1cccc(NC(=O)[N-]OCCCC(=O)OC)c1 ZINC000289931667 221325558 /nfs/dbraw/zinc/32/55/58/221325558.db2.gz ZTMDIEPVWFFEBQ-GFCCVEGCSA-N -1 3 324.377 2.870 20 0 DFADHM COCCOCc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000290017878 221382352 /nfs/dbraw/zinc/38/23/52/221382352.db2.gz WTYYJCZTDCPCGM-BQYQJAHWSA-N -1 3 300.358 2.824 20 0 DFADHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000620945663 399638892 /nfs/dbraw/zinc/63/88/92/399638892.db2.gz JUONUQXMRIMOMQ-NSHDSACASA-N -1 3 316.398 2.641 20 0 DFADHM O=C(NCCOCCF)c1cc(Cc2ccccc2)ccc1[O-] ZINC000621091809 399673439 /nfs/dbraw/zinc/67/34/39/399673439.db2.gz QZFBFWLINDCHBQ-UHFFFAOYSA-N -1 3 317.360 2.699 20 0 DFADHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000612526581 399669924 /nfs/dbraw/zinc/66/99/24/399669924.db2.gz PVJDHAGNCYXOFO-UONOGXRCSA-N -1 3 317.389 2.592 20 0 DFADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cnc(C)s2)n1 ZINC000632465329 399670106 /nfs/dbraw/zinc/67/01/06/399670106.db2.gz NTAYBZACXNNJTC-SSDOTTSWSA-N -1 3 317.461 2.510 20 0 DFADHM CCC(=O)Nc1cccc(CNC(=O)c2ccc(C)cc2[O-])c1 ZINC000612528432 399670436 /nfs/dbraw/zinc/67/04/36/399670436.db2.gz QGVJTOIKQMJTHW-UHFFFAOYSA-N -1 3 312.369 2.979 20 0 DFADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCCc3c[nH]nc32)c1 ZINC000612532843 399671964 /nfs/dbraw/zinc/67/19/64/399671964.db2.gz NZWBSDRXJJRIAF-LBPRGKRZSA-N -1 3 303.387 2.645 20 0 DFADHM Cc1cccc([O-])c1C(=O)N1CCc2cnc(C(C)C)nc2C1 ZINC000625894841 399677947 /nfs/dbraw/zinc/67/79/47/399677947.db2.gz DBLQMELETNDIPA-UHFFFAOYSA-N -1 3 311.385 2.813 20 0 DFADHM Cc1nocc1[N-]C(=O)c1ccc(C(=O)OC(C)(C)C)nc1 ZINC000603089606 399678129 /nfs/dbraw/zinc/67/81/29/399678129.db2.gz RUGRVRFAUANOBN-UHFFFAOYSA-N -1 3 303.318 2.586 20 0 DFADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc(=O)[n-]cn1 ZINC000625904577 399681093 /nfs/dbraw/zinc/68/10/93/399681093.db2.gz RQPCXWQIVMUQKX-HNNXBMFYSA-N -1 3 317.364 2.661 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2ccsc2[nH]1 ZINC000621118608 399686427 /nfs/dbraw/zinc/68/64/27/399686427.db2.gz PMAFWANVDMAGMJ-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccsc2[nH]1 ZINC000621118608 399686429 /nfs/dbraw/zinc/68/64/29/399686429.db2.gz PMAFWANVDMAGMJ-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM CSc1ccc([O-])c(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)c1 ZINC000612604354 399687103 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O=C(c1ccc(C(=O)N2C[C@@H]3C[C@@H]3C2)cc1)c1cccc([O-])c1 ZINC000628515328 400038034 /nfs/dbraw/zinc/03/80/34/400038034.db2.gz HKVJELZOLHMSGF-IYBDPMFKSA-N -1 3 307.349 2.715 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CCO[C@H](C(F)F)CC2)c1 ZINC000634163607 399991863 /nfs/dbraw/zinc/99/18/63/399991863.db2.gz AXXMEDOSUNJFHD-LBPRGKRZSA-N -1 3 317.357 2.610 20 0 DFADHM CC[C@]1(O)CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000634207079 399998709 /nfs/dbraw/zinc/99/87/09/399998709.db2.gz LRWOJNBJBFRGIC-SFHVURJKSA-N -1 3 303.402 2.648 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2c3c(nn2C)CCCC3)c1[O-] ZINC000634264424 400006515 /nfs/dbraw/zinc/00/65/15/400006515.db2.gz NLLCXHZMSIYSOW-UHFFFAOYSA-N -1 3 315.373 2.574 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000634427677 400027337 /nfs/dbraw/zinc/02/73/37/400027337.db2.gz IYMPQZARAWCPIM-RDJZCZTQSA-N -1 3 307.365 2.538 20 0 DFADHM COCc1csc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c1 ZINC000628374875 400028436 /nfs/dbraw/zinc/02/84/36/400028436.db2.gz 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O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Cl)s1 ZINC000246065554 146117753 /nfs/dbraw/zinc/11/77/53/146117753.db2.gz WZOQHTMUWYJOKT-IVZWLZJFSA-N -1 3 321.851 2.637 20 0 DFADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000443727657 543358574 /nfs/dbraw/zinc/35/85/74/543358574.db2.gz XQVIIWTWXHRZIG-SECBINFHSA-N -1 3 310.341 2.813 20 0 DFADHM Cc1ccc([C@@H](C)NC(=O)NCc2ncccc2[O-])cc1F ZINC000349707726 285920909 /nfs/dbraw/zinc/92/09/09/285920909.db2.gz XCZJLSCZERWCRY-LLVKDONJSA-N -1 3 303.337 2.795 20 0 DFADHM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1c([O-])cccc1F ZINC000681271963 545621125 /nfs/dbraw/zinc/62/11/25/545621125.db2.gz WZXYJJKDINQYEO-UHFFFAOYSA-N -1 3 319.723 2.991 20 0 DFADHM CC(C)(C)c1nnc(CNC(=O)c2cc([O-])c3ccccc3c2)[nH]1 ZINC000458029586 543386343 /nfs/dbraw/zinc/38/63/43/543386343.db2.gz PBRMHGQMUXZMHS-UHFFFAOYSA-N -1 3 324.384 2.891 20 0 DFADHM CNC(=O)Oc1cccc(NC([O-])=NOC2CCCCC2)c1 ZINC000496288422 300041690 /nfs/dbraw/zinc/04/16/90/300041690.db2.gz 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ZINC000354761605 147142156 /nfs/dbraw/zinc/14/21/56/147142156.db2.gz YHQJONBJOURTBS-OAHLLOKOSA-N -1 3 317.389 2.652 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc2[nH]ccc2s1 ZINC000355046997 147219231 /nfs/dbraw/zinc/21/92/31/147219231.db2.gz WMTYZZRMIDPONU-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc2[nH]ccc2s1 ZINC000355046997 147219234 /nfs/dbraw/zinc/21/92/34/147219234.db2.gz WMTYZZRMIDPONU-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM Cc1cccc(C)c1[C@@H](C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000355168445 147222772 /nfs/dbraw/zinc/22/27/72/147222772.db2.gz JMGSGYLDIKRGSY-CYBMUJFWSA-N -1 3 313.401 2.836 20 0 DFADHM Cc1cccnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000355387833 147295931 /nfs/dbraw/zinc/29/59/31/147295931.db2.gz BACMEEYQIHRLDO-UHFFFAOYSA-N -1 3 314.769 2.661 20 0 DFADHM Cc1cccnc1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000355398799 147300547 /nfs/dbraw/zinc/30/05/47/147300547.db2.gz ITRNYMAOYYMRNV-UHFFFAOYSA-N -1 3 302.808 2.583 20 0 DFADHM 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ZINC000371676350 150079262 /nfs/dbraw/zinc/07/92/62/150079262.db2.gz NMHRBDJJJYNGNA-UHFFFAOYSA-N -1 3 307.353 2.723 20 0 DFADHM CO[C@]1(C)CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000408415402 286159300 /nfs/dbraw/zinc/15/93/00/286159300.db2.gz OCQCZBSEKVMHNO-GOSISDBHSA-N -1 3 319.401 2.747 20 0 DFADHM CCC(C)(C)C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000372027160 150126886 /nfs/dbraw/zinc/12/68/86/150126886.db2.gz VMSUNNCMRQGJSN-UHFFFAOYSA-N -1 3 318.417 2.549 20 0 DFADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3N)c2)n1 ZINC000372095505 150135088 /nfs/dbraw/zinc/13/50/88/150135088.db2.gz NQPTVXJJHFNMIO-UHFFFAOYSA-N -1 3 320.352 2.992 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)c2csc(=O)[n-]2)C12CCCCC2 ZINC000372107636 150137976 /nfs/dbraw/zinc/13/79/76/150137976.db2.gz HPJSENQANCSOPQ-NEPJUHHUSA-N -1 3 310.419 2.706 20 0 DFADHM CN(C)[C@@]1(C(=O)Nc2ccccc2[O-])CCOc2ccccc21 ZINC000372291657 150159602 /nfs/dbraw/zinc/15/96/02/150159602.db2.gz OINRMRUSXUFRTQ-SFHVURJKSA-N -1 3 312.369 2.570 20 0 DFADHM 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O=S(=O)([N-][C@H]1CC=CCC1)c1ccc(Cl)nc1Cl ZINC000076306662 426107096 /nfs/dbraw/zinc/10/70/96/426107096.db2.gz WYXUETKCIOESSN-QMMMGPOBSA-N -1 3 307.202 2.775 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2ccccc2C1 ZINC000163725287 426108455 /nfs/dbraw/zinc/10/84/55/426108455.db2.gz WPPKEPSOJOSJGT-UHFFFAOYSA-N -1 3 300.333 2.799 20 0 DFADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC(=O)Nc2ccccc21 ZINC000128255679 426108597 /nfs/dbraw/zinc/10/85/97/426108597.db2.gz WWNUCEXBUHQZSX-JTQLQIEISA-N -1 3 300.289 2.596 20 0 DFADHM O=C(Nc1cccc([O-])c1F)c1ccc(OCC(F)F)nc1 ZINC000128331667 426113743 /nfs/dbraw/zinc/11/37/43/426113743.db2.gz KFSNWQAMXLFJKD-UHFFFAOYSA-N -1 3 312.247 2.823 20 0 DFADHM O=C(COCCOc1ccccc1)Nc1cccc([O-])c1F ZINC000128563837 426124083 /nfs/dbraw/zinc/12/40/83/426124083.db2.gz MTGIVALZDBXCNH-UHFFFAOYSA-N -1 3 305.305 2.565 20 0 DFADHM CCOC[C@H]1CCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000113939116 426124313 /nfs/dbraw/zinc/12/43/13/426124313.db2.gz JBIDNPHAQWUVMW-ZDUSSCGKSA-N -1 3 317.385 2.747 20 0 DFADHM COc1cc(C(=O)N(C)c2cccc(C)c2)cc(OC)c1[O-] ZINC000162724390 426073859 /nfs/dbraw/zinc/07/38/59/426073859.db2.gz UFBZBQQBRUHCTO-UHFFFAOYSA-N -1 3 301.342 2.994 20 0 DFADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000075491316 426074937 /nfs/dbraw/zinc/07/49/37/426074937.db2.gz INAJHZYDTPFRIG-QWRGUYRKSA-N -1 3 315.373 2.613 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2)s1 ZINC000134940936 426200560 /nfs/dbraw/zinc/20/05/60/426200560.db2.gz RHPYZQXVGJLGBK-MRVPVSSYSA-N -1 3 317.823 2.539 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)c2ccccc2)c1[O-] ZINC000116980732 426204044 /nfs/dbraw/zinc/20/40/44/426204044.db2.gz CJHGYYMVRALUNL-UHFFFAOYSA-N -1 3 318.760 2.723 20 0 DFADHM COC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000170742247 426147975 /nfs/dbraw/zinc/14/79/75/426147975.db2.gz NQSHVCHZPBEKSU-KRWDZBQOSA-N -1 3 322.364 2.646 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2nc3c(s2)C(=O)CCC3)c1 ZINC000170801640 426151098 /nfs/dbraw/zinc/15/10/98/426151098.db2.gz RPTDEHZGQKPMFM-UHFFFAOYSA-N -1 3 318.354 2.629 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H](n2cccn2)C1 ZINC000130276215 426153451 /nfs/dbraw/zinc/15/34/51/426153451.db2.gz WSLBGAYRMBTDAT-ZDUSSCGKSA-N -1 3 319.792 2.648 20 0 DFADHM Cc1nc(C)c(CCC(=O)NCC[C@@H]2CCC[C@@H](C)C2)c(=O)[n-]1 ZINC000115277290 426159054 /nfs/dbraw/zinc/15/90/54/426159054.db2.gz UROUJPWFJWIBKW-DOMZBBRYSA-N -1 3 319.449 2.652 20 0 DFADHM CC(C)[C@@H](NC(=O)c1c[n-]nn1)c1cccc(C(F)(F)F)c1 ZINC000171020153 426164522 /nfs/dbraw/zinc/16/45/22/426164522.db2.gz ISHQQNNSTGRUDC-GFCCVEGCSA-N -1 3 312.295 2.951 20 0 DFADHM CC(C)[C@@H](NC(=O)c1cnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000171020153 426164526 /nfs/dbraw/zinc/16/45/26/426164526.db2.gz ISHQQNNSTGRUDC-GFCCVEGCSA-N -1 3 312.295 2.951 20 0 DFADHM CC(C)[C@@H](NC(=O)c1cn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000171020153 426164530 /nfs/dbraw/zinc/16/45/30/426164530.db2.gz ISHQQNNSTGRUDC-GFCCVEGCSA-N -1 3 312.295 2.951 20 0 DFADHM Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1C ZINC000115726197 426172383 /nfs/dbraw/zinc/17/23/83/426172383.db2.gz YNJHRLGWGQZHFD-LBPRGKRZSA-N -1 3 322.364 2.678 20 0 DFADHM O=C(c1ccc([O-])cc1)C1CCN(C[C@H]2CCCCO2)CC1 ZINC000078657420 426179401 /nfs/dbraw/zinc/17/94/01/426179401.db2.gz JWDAKBWSGCBNCZ-QGZVFWFLSA-N -1 3 303.402 2.856 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2ccc(-n3ccnc3)cc2)c1 ZINC000078770167 426185978 /nfs/dbraw/zinc/18/59/78/426185978.db2.gz ALJPMFGPDBIATC-UHFFFAOYSA-N -1 3 309.325 2.839 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccn1 ZINC000171414648 426189006 /nfs/dbraw/zinc/18/90/06/426189006.db2.gz ZHUAWTCIWACUOP-VIFPVBQESA-N -1 3 314.769 2.914 20 0 DFADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1ccccc1F ZINC000134657127 426191383 /nfs/dbraw/zinc/19/13/83/426191383.db2.gz NMVPXTCDYZFLGJ-LBPRGKRZSA-N -1 3 313.394 2.596 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2ccccc2F)CC1 ZINC000134664486 426191586 /nfs/dbraw/zinc/19/15/86/426191586.db2.gz DATWYZZFPOLEJZ-UHFFFAOYSA-N -1 3 314.242 2.633 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2ccccc2F)CC1 ZINC000134664486 426191587 /nfs/dbraw/zinc/19/15/87/426191587.db2.gz DATWYZZFPOLEJZ-UHFFFAOYSA-N -1 3 314.242 2.633 20 0 DFADHM Cc1nc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)n[nH]1 ZINC000171548104 426194321 /nfs/dbraw/zinc/19/43/21/426194321.db2.gz WIMAXELYDJEACV-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM CC(C)(CNC(=O)c1c[n-]nn1)c1c(Cl)cccc1Cl ZINC000171560471 426195105 /nfs/dbraw/zinc/19/51/05/426195105.db2.gz BYKAFXZMSYPSRA-UHFFFAOYSA-N -1 3 313.188 2.819 20 0 DFADHM CC(C)(CNC(=O)c1cnn[n-]1)c1c(Cl)cccc1Cl ZINC000171560471 426195108 /nfs/dbraw/zinc/19/51/08/426195108.db2.gz BYKAFXZMSYPSRA-UHFFFAOYSA-N -1 3 313.188 2.819 20 0 DFADHM CC(C)(CNC(=O)c1cn[n-]n1)c1c(Cl)cccc1Cl ZINC000171560471 426195109 /nfs/dbraw/zinc/19/51/09/426195109.db2.gz BYKAFXZMSYPSRA-UHFFFAOYSA-N -1 3 313.188 2.819 20 0 DFADHM NC(=O)c1ccc(F)c(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000079584890 426198848 /nfs/dbraw/zinc/19/88/48/426198848.db2.gz FRDVGKIMMNDMGG-UHFFFAOYSA-N -1 3 324.315 2.567 20 0 DFADHM C[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccsc1 ZINC000135567694 426222339 /nfs/dbraw/zinc/22/23/39/426222339.db2.gz LCFQADJMQGRRQV-JTQLQIEISA-N -1 3 313.386 2.594 20 0 DFADHM C[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccsc1 ZINC000135567694 426222341 /nfs/dbraw/zinc/22/23/41/426222341.db2.gz LCFQADJMQGRRQV-JTQLQIEISA-N -1 3 313.386 2.594 20 0 DFADHM C[C@H](CO)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000172983792 426233457 /nfs/dbraw/zinc/23/34/57/426233457.db2.gz IZNCLNGZWKCWOC-MRVPVSSYSA-N -1 3 322.411 2.859 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc2c(c1)OCO2 ZINC000136044630 426233601 /nfs/dbraw/zinc/23/36/01/426233601.db2.gz YHHHFPGCBBUSAN-UHFFFAOYSA-N -1 3 305.717 2.956 20 0 DFADHM Cc1cc(C)n(CCCNC(=O)Cc2ccc([O-])cc2Cl)n1 ZINC000136100180 426234791 /nfs/dbraw/zinc/23/47/91/426234791.db2.gz IKGPCMPMZCNCNE-UHFFFAOYSA-N -1 3 321.808 2.608 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccs1 ZINC000118439096 426236550 /nfs/dbraw/zinc/23/65/50/426236550.db2.gz NECCMJGXJHKNHF-AAEUAGOBSA-N -1 3 317.476 2.868 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cccs1 ZINC000118439100 426236814 /nfs/dbraw/zinc/23/68/14/426236814.db2.gz NECCMJGXJHKNHF-YPMHNXCESA-N -1 3 317.476 2.868 20 0 DFADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cccc(F)c1F ZINC000118688714 426242048 /nfs/dbraw/zinc/24/20/48/426242048.db2.gz IBCARWFEVBPJJK-UHFFFAOYSA-N -1 3 317.338 2.682 20 0 DFADHM CCOC1(C[N-]S(=O)(=O)c2ccc(F)cc2F)CCCC1 ZINC000339030222 268752556 /nfs/dbraw/zinc/75/25/56/268752556.db2.gz VHEUGYBMFXCUSP-UHFFFAOYSA-N -1 3 319.373 2.592 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)c1[O-] ZINC000085565335 426253141 /nfs/dbraw/zinc/25/31/41/426253141.db2.gz OPCWHBWHCTZGTQ-UHFFFAOYSA-N -1 3 323.352 2.567 20 0 DFADHM COc1ncc(C)cc1NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000174353575 426253951 /nfs/dbraw/zinc/25/39/51/426253951.db2.gz KDVQQHPWOBFTAZ-UHFFFAOYSA-N -1 3 312.329 2.942 20 0 DFADHM COc1ncc(C)cc1NC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000174353575 426253954 /nfs/dbraw/zinc/25/39/54/426253954.db2.gz KDVQQHPWOBFTAZ-UHFFFAOYSA-N -1 3 312.329 2.942 20 0 DFADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)Cc2ccc(O)cc2)n1 ZINC000138380290 426257631 /nfs/dbraw/zinc/25/76/31/426257631.db2.gz XVUGGXUQOVBODY-LBPRGKRZSA-N -1 3 301.390 2.513 20 0 DFADHM COc1cccc(C(=O)NC[C@H](C)Oc2ccccc2F)c1[O-] ZINC000174542699 426259607 /nfs/dbraw/zinc/25/96/07/426259607.db2.gz PDIVEZWXYKYZIR-NSHDSACASA-N -1 3 319.332 2.737 20 0 DFADHM COc1ccc(CN2CCCC[C@@H]2C(=O)[O-])c(Cl)c1OC ZINC000086729919 426261059 /nfs/dbraw/zinc/26/10/59/426261059.db2.gz SYCHOELEKDNLDH-LLVKDONJSA-N -1 3 313.781 2.796 20 0 DFADHM CN(Cc1cc2ccccc2o1)C(=O)c1ccc2n[n-]nc2c1 ZINC000174692153 426262826 /nfs/dbraw/zinc/26/28/26/426262826.db2.gz HVGSNLMVFPIADI-UHFFFAOYSA-N -1 3 306.325 2.976 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(OC(C)(C)C)CC2)on1 ZINC000119120103 426263659 /nfs/dbraw/zinc/26/36/59/426263659.db2.gz SESPWIUXUIWBDP-GFCCVEGCSA-N -1 3 309.410 2.590 20 0 DFADHM CCCc1ccccc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119151331 426266372 /nfs/dbraw/zinc/26/63/72/426266372.db2.gz UQDOZQUMEGEDCP-UHFFFAOYSA-N -1 3 310.357 2.879 20 0 DFADHM CCC(CC)[C@@H](C(=O)Nc1cc(F)ccc1[O-])N1CCOCC1 ZINC000174892061 426266675 /nfs/dbraw/zinc/26/66/75/426266675.db2.gz HTVSXEVJMOGHFV-INIZCTEOSA-N -1 3 324.396 2.607 20 0 DFADHM COc1ccc(C(=O)NCc2nc(C3CC3)cs2)c([O-])c1 ZINC000151022706 426273225 /nfs/dbraw/zinc/27/32/25/426273225.db2.gz MNBWOTXDAFUELX-UHFFFAOYSA-N -1 3 304.371 2.665 20 0 DFADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(Cl)cc1Cl ZINC000171802791 426212726 /nfs/dbraw/zinc/21/27/26/426212726.db2.gz PKZGRNOZOMQDKI-VIFPVBQESA-N -1 3 310.202 2.914 20 0 DFADHM Cc1ncc(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)s1 ZINC000171808860 426213671 /nfs/dbraw/zinc/21/36/71/426213671.db2.gz SGQPQQADMLNHOT-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM COCCOc1ccc(C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000171860428 426217075 /nfs/dbraw/zinc/21/70/75/426217075.db2.gz UJSIODJBOBUXAG-UHFFFAOYSA-N -1 3 301.342 2.978 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000151321987 426289123 /nfs/dbraw/zinc/28/91/23/426289123.db2.gz RVHZBEJQSAAPEG-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000151321987 426289126 /nfs/dbraw/zinc/28/91/26/426289126.db2.gz RVHZBEJQSAAPEG-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000119478373 426290814 /nfs/dbraw/zinc/29/08/14/426290814.db2.gz YBWSTXLFXJTNRK-UHFFFAOYSA-N -1 3 313.405 2.699 20 0 DFADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000119478373 426290815 /nfs/dbraw/zinc/29/08/15/426290815.db2.gz YBWSTXLFXJTNRK-UHFFFAOYSA-N -1 3 313.405 2.699 20 0 DFADHM COc1cc(C(=O)NC[C@H]2CCCC[C@H]2C)cc(OC)c1[O-] ZINC000119477442 426291348 /nfs/dbraw/zinc/29/13/48/426291348.db2.gz RNXWOYWKNYAQFG-VXGBXAGGSA-N -1 3 307.390 2.966 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000119588018 426299424 /nfs/dbraw/zinc/29/94/24/426299424.db2.gz PZNVHXWKGAGCEY-GFCCVEGCSA-N -1 3 307.357 2.917 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000119588018 426299426 /nfs/dbraw/zinc/29/94/26/426299426.db2.gz PZNVHXWKGAGCEY-GFCCVEGCSA-N -1 3 307.357 2.917 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000119588018 426299428 /nfs/dbraw/zinc/29/94/28/426299428.db2.gz PZNVHXWKGAGCEY-GFCCVEGCSA-N -1 3 307.357 2.917 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCOCc2ccccc2)c1 ZINC000175402112 426301774 /nfs/dbraw/zinc/30/17/74/426301774.db2.gz QAVYNUFKJRPPFZ-UHFFFAOYSA-N -1 3 323.389 2.629 20 0 DFADHM C[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccsc1 ZINC000119862718 426303787 /nfs/dbraw/zinc/30/37/87/426303787.db2.gz MIUYBMZNJGRUQQ-VIFPVBQESA-N -1 3 301.375 2.614 20 0 DFADHM C[C@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccsc1 ZINC000119862718 426303789 /nfs/dbraw/zinc/30/37/89/426303789.db2.gz MIUYBMZNJGRUQQ-VIFPVBQESA-N -1 3 301.375 2.614 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCCS1)c1cc(F)cc(Cl)c1 ZINC000339448983 268817351 /nfs/dbraw/zinc/81/73/51/268817351.db2.gz MAQQTMIYMDTZHT-JTQLQIEISA-N -1 3 309.815 2.653 20 0 DFADHM COc1cccc(C(=O)N(C)[C@H]2C[C@@](C)(OC)C2(C)C)c1[O-] ZINC000175450875 426305699 /nfs/dbraw/zinc/30/56/99/426305699.db2.gz HEPFQOSBNCFGDE-SUMWQHHRSA-N -1 3 307.390 2.676 20 0 DFADHM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000151699593 426308865 /nfs/dbraw/zinc/30/88/65/426308865.db2.gz UVACWVIXOVZOMQ-APPDUMDISA-N -1 3 313.353 2.562 20 0 DFADHM O=C(Nc1cccc(-n2ccnn2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000120355773 426310228 /nfs/dbraw/zinc/31/02/28/426310228.db2.gz RBCVZCLJBKENKF-UHFFFAOYSA-N -1 3 320.312 2.503 20 0 DFADHM O=C(Nc1cccc(-n2ccnn2)c1)c1cc(-c2ccco2)n[n-]1 ZINC000120355773 426310231 /nfs/dbraw/zinc/31/02/31/426310231.db2.gz RBCVZCLJBKENKF-UHFFFAOYSA-N -1 3 320.312 2.503 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCc2nc3cccc(C)c3n2C)c1 ZINC000120904353 426315925 /nfs/dbraw/zinc/31/59/25/426315925.db2.gz KHACPXDZMWIHST-UHFFFAOYSA-N -1 3 309.369 2.826 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)c([O-])c1 ZINC000151912470 426318719 /nfs/dbraw/zinc/31/87/19/426318719.db2.gz FCVOUXPIAJPXFO-ZDUSSCGKSA-N -1 3 305.374 2.647 20 0 DFADHM Cc1cccc(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)c1[O-] ZINC000151917271 426318732 /nfs/dbraw/zinc/31/87/32/426318732.db2.gz XPAXRHWHFHVLHG-ZDUSSCGKSA-N -1 3 305.374 2.647 20 0 DFADHM CCC[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCO1 ZINC000089944503 426321091 /nfs/dbraw/zinc/32/10/91/426321091.db2.gz YRZPATLIAGVNCN-CYBMUJFWSA-N -1 3 319.401 2.747 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](Cc3ccc(F)cc3)C2)n1 ZINC000121290942 426332169 /nfs/dbraw/zinc/33/21/69/426332169.db2.gz GEACFZHHQVYLDY-AWEZNQCLSA-N -1 3 315.392 2.948 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1c(C)noc1C ZINC000119288497 426275664 /nfs/dbraw/zinc/27/56/64/426275664.db2.gz LLFIXQDZEOVOSM-GFCCVEGCSA-N -1 3 312.366 2.860 20 0 DFADHM COc1ccc2c(c1)C=C(C(=O)Nc1cc(F)ccc1[O-])CO2 ZINC000088403516 426275900 /nfs/dbraw/zinc/27/59/00/426275900.db2.gz YPSFJTVWXMCLBB-UHFFFAOYSA-N -1 3 315.300 2.954 20 0 DFADHM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000088469651 426276470 /nfs/dbraw/zinc/27/64/70/426276470.db2.gz QRHOYSNUXVOPNI-NSHDSACASA-N -1 3 318.323 2.679 20 0 DFADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000088547082 426277697 /nfs/dbraw/zinc/27/76/97/426277697.db2.gz ZNMOMGKHCFIRMJ-UHFFFAOYSA-N -1 3 317.288 2.913 20 0 DFADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccncc1 ZINC000175188414 426285528 /nfs/dbraw/zinc/28/55/28/426285528.db2.gz ZOEDWOWHUYRPNJ-CQSZACIVSA-N -1 3 303.337 2.877 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000119418621 426287716 /nfs/dbraw/zinc/28/77/16/426287716.db2.gz PRBODRXLRZOAMO-UHFFFAOYSA-N -1 3 323.439 2.981 20 0 DFADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@]2(C)CCCS2)cc1F ZINC000122786903 426395079 /nfs/dbraw/zinc/39/50/79/426395079.db2.gz GZRJHFKAJSGFGL-ZDUSSCGKSA-N -1 3 321.414 2.837 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2cccc(OC(F)F)c2)c1 ZINC000122843758 426397223 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CCC[C@H]1SCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122562324 426381897 /nfs/dbraw/zinc/38/18/97/426381897.db2.gz ONKSTXLWTWDXEK-CQSZACIVSA-N -1 3 308.403 2.666 20 0 DFADHM CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000153488090 426388374 /nfs/dbraw/zinc/38/83/74/426388374.db2.gz UMKPWELIBGDLFR-SNVBAGLBSA-N -1 3 310.781 2.633 20 0 DFADHM COc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)c([O-])c1 ZINC000122716820 426389813 /nfs/dbraw/zinc/38/98/13/426389813.db2.gz CPVHYOWHXDJSNC-UHFFFAOYSA-N -1 3 319.401 2.965 20 0 DFADHM CCCCS[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000123111668 426414249 /nfs/dbraw/zinc/41/42/49/426414249.db2.gz XZRNQXPISGIVJJ-SNVBAGLBSA-N -1 3 305.407 2.727 20 0 DFADHM CCCCS[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000123111668 426414253 /nfs/dbraw/zinc/41/42/53/426414253.db2.gz XZRNQXPISGIVJJ-SNVBAGLBSA-N -1 3 305.407 2.727 20 0 DFADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C)nc2C)C1 ZINC000176927728 426425158 /nfs/dbraw/zinc/42/51/58/426425158.db2.gz UIPGLFKVYHCRIC-QWRGUYRKSA-N -1 3 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C[C@H]1CCN(C(=O)c2cc(C(N)=O)cs2)c2c([O-])cccc21 ZINC000186327853 426506639 /nfs/dbraw/zinc/50/66/39/426506639.db2.gz ZIIRZXWZGAAMQC-VIFPVBQESA-N -1 3 316.382 2.707 20 0 DFADHM Cc1nc2sccn2c1CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000264163242 426508231 /nfs/dbraw/zinc/50/82/31/426508231.db2.gz SYEHLAIITLZKCN-UHFFFAOYSA-N -1 3 315.398 2.990 20 0 DFADHM Cc1cccc(C(=O)Nc2cnn(Cc3ccccn3)c2)c1[O-] ZINC000195229216 426510006 /nfs/dbraw/zinc/51/00/06/426510006.db2.gz WCJNMDVQCFHCGJ-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000288431183 426524918 /nfs/dbraw/zinc/52/49/18/426524918.db2.gz OGURKUNKJNFFHX-WCQYABFASA-N -1 3 308.809 2.744 20 0 DFADHM Cc1cc(Br)c([O-])c(NC(=O)/C=C/CN(C)C)c1 ZINC000272448715 426526473 /nfs/dbraw/zinc/52/64/73/426526473.db2.gz JGUGJROUIVEFEK-SNAWJCMRSA-N -1 3 313.195 2.519 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)c3cnc4ccccc4n3)[n-]2)o1 ZINC000177825109 426526926 /nfs/dbraw/zinc/52/69/26/426526926.db2.gz LXFMDRNMWDGARL-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnc4ccccc4n3)n2)o1 ZINC000177825109 426526930 /nfs/dbraw/zinc/52/69/30/426526930.db2.gz LXFMDRNMWDGARL-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)c3cnc4ccccc4n3)n[n-]2)o1 ZINC000177825109 426526935 /nfs/dbraw/zinc/52/69/35/426526935.db2.gz LXFMDRNMWDGARL-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1nc2sccn2c1CN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000272456932 426530322 /nfs/dbraw/zinc/53/03/22/426530322.db2.gz ODCKLBFMQYOJCH-UHFFFAOYSA-N -1 3 315.398 2.990 20 0 DFADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000264365134 426544230 /nfs/dbraw/zinc/54/42/30/426544230.db2.gz VXCOAIKVCIWUQT-UHFFFAOYSA-N -1 3 306.387 2.917 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c1 ZINC000194622951 426489439 /nfs/dbraw/zinc/48/94/39/426489439.db2.gz QIWBQLBAFGJFDF-CYBMUJFWSA-N -1 3 307.346 2.546 20 0 DFADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1cc(F)cc(F)c1 ZINC000186166861 426489864 /nfs/dbraw/zinc/48/98/64/426489864.db2.gz LFRBKTAKWWHPKQ-CYBMUJFWSA-N -1 3 319.373 2.592 20 0 DFADHM O=C1C[C@@H](c2ccccc2)N(Cc2cc([O-])cc(F)c2)CCN1 ZINC000186191804 426492481 /nfs/dbraw/zinc/49/24/81/426492481.db2.gz ZELLWTMOAVMVPI-KRWDZBQOSA-N -1 3 314.360 2.595 20 0 DFADHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186201898 426492971 /nfs/dbraw/zinc/49/29/71/426492971.db2.gz GIPSRBCNOIUOLN-ZDUSSCGKSA-N -1 3 310.369 2.630 20 0 DFADHM CN(Cc1cc([O-])cc(F)c1)C[C@H](O)COCc1ccccc1 ZINC000186196315 426493511 /nfs/dbraw/zinc/49/35/11/426493511.db2.gz JDERRMHHNKYJOA-SFHVURJKSA-N -1 3 319.376 2.541 20 0 DFADHM O=C(NCCc1cscn1)c1ccc2c(c1[O-])CCCC2 ZINC000186197417 426493628 /nfs/dbraw/zinc/49/36/28/426493628.db2.gz ZFDYJBBNSMDMND-UHFFFAOYSA-N -1 3 302.399 2.700 20 0 DFADHM CC(C)N1C[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)[C@@H](C)C1 ZINC000194831508 426493968 /nfs/dbraw/zinc/49/39/68/426493968.db2.gz WPRUICBGDSUGEN-ZANVPECISA-N -1 3 314.788 2.643 20 0 DFADHM CC(C)CCOc1ccc([C@H](C)NC(=O)c2c[n-]nn2)cc1 ZINC000194874824 426494955 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O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1c[n-]nn1 ZINC000177618282 426499802 /nfs/dbraw/zinc/49/98/02/426499802.db2.gz CQIIHJMYDNUORL-INIZCTEOSA-N -1 3 306.369 2.561 20 0 DFADHM O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1cnn[n-]1 ZINC000177618282 426499803 /nfs/dbraw/zinc/49/98/03/426499803.db2.gz CQIIHJMYDNUORL-INIZCTEOSA-N -1 3 306.369 2.561 20 0 DFADHM O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1cn[n-]n1 ZINC000177618282 426499804 /nfs/dbraw/zinc/49/98/04/426499804.db2.gz CQIIHJMYDNUORL-INIZCTEOSA-N -1 3 306.369 2.561 20 0 DFADHM COc1cccc(CC[N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000186290385 426499902 /nfs/dbraw/zinc/49/99/02/426499902.db2.gz MSGYHFSOLQSRAE-UHFFFAOYSA-N -1 3 323.389 2.664 20 0 DFADHM CN(C)Cc1ccnc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000177643189 426500932 /nfs/dbraw/zinc/50/09/32/426500932.db2.gz HPSWRVNSZGFEKR-UHFFFAOYSA-N -1 3 305.765 2.755 20 0 DFADHM CC(=O)NCCCCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186301940 426501754 /nfs/dbraw/zinc/50/17/54/426501754.db2.gz USGUNFABNSRPTL-CYBMUJFWSA-N -1 3 318.417 2.929 20 0 DFADHM CSc1nnc(NC(=O)CCOc2cc(C)cc(C)c2)[n-]1 ZINC000264132861 426502954 /nfs/dbraw/zinc/50/29/54/426502954.db2.gz DGSNZCLUDDIXBF-UHFFFAOYSA-N -1 3 306.391 2.551 20 0 DFADHM CSc1n[n-]c(NC(=O)CCOc2cc(C)cc(C)c2)n1 ZINC000264132861 426502957 /nfs/dbraw/zinc/50/29/57/426502957.db2.gz DGSNZCLUDDIXBF-UHFFFAOYSA-N -1 3 306.391 2.551 20 0 DFADHM CSc1nc(NC(=O)CCOc2cc(C)cc(C)c2)n[n-]1 ZINC000264132861 426502960 /nfs/dbraw/zinc/50/29/60/426502960.db2.gz DGSNZCLUDDIXBF-UHFFFAOYSA-N -1 3 306.391 2.551 20 0 DFADHM C[C@@H]1CCN(C(=O)CCNC(=O)C(C)(C)C)c2c([O-])cccc21 ZINC000186314535 426504136 /nfs/dbraw/zinc/50/41/36/426504136.db2.gz KWDMTTYAUCFQTR-GFCCVEGCSA-N -1 3 318.417 2.785 20 0 DFADHM C[C@@H]1CCN(C(=O)CNC(=O)c2ccccc2)c2c([O-])cccc21 ZINC000186333551 426505628 /nfs/dbraw/zinc/50/56/28/426505628.db2.gz UCSIAKKTJUXVNN-CYBMUJFWSA-N -1 3 324.380 2.662 20 0 DFADHM CCOc1cc(-c2noc([C@H]3CC[C@@H]3C(=O)OC)n2)ccc1[O-] ZINC000288998204 426565741 /nfs/dbraw/zinc/56/57/41/426565741.db2.gz 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/nfs/dbraw/zinc/58/39/94/426583994.db2.gz WMBGHPKPASSOIN-WDEREUQCSA-N -1 3 304.350 2.599 20 0 DFADHM CC[C@@H]1C[C@@H](CC(=O)Nc2nc(-c3ccco3)n[n-]2)CCO1 ZINC000273055864 426583996 /nfs/dbraw/zinc/58/39/96/426583996.db2.gz WMBGHPKPASSOIN-WDEREUQCSA-N -1 3 304.350 2.599 20 0 DFADHM CC[C@@H]1C[C@@H](CC(=O)Nc2n[n-]c(-c3ccco3)n2)CCO1 ZINC000273055864 426584000 /nfs/dbraw/zinc/58/40/00/426584000.db2.gz WMBGHPKPASSOIN-WDEREUQCSA-N -1 3 304.350 2.599 20 0 DFADHM [O-]c1ccc(-c2noc(C3CCN(C4CC4)CC3)n2)cc1F ZINC000289143107 426590271 /nfs/dbraw/zinc/59/02/71/426590271.db2.gz SGLHNOMFJOEGJQ-UHFFFAOYSA-N -1 3 303.337 2.923 20 0 DFADHM CCOCCN(CC)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280518310 426590459 /nfs/dbraw/zinc/59/04/59/426590459.db2.gz MLMOYTHIKKQHTD-UHFFFAOYSA-N -1 3 305.296 2.910 20 0 DFADHM [O-]c1ccc(-c2noc(C3CCN(C4CC4)CC3)n2)c(F)c1 ZINC000289137282 426591072 /nfs/dbraw/zinc/59/10/72/426591072.db2.gz RTLKSBLUSDOKSW-UHFFFAOYSA-N -1 3 303.337 2.923 20 0 DFADHM CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ncccc1[O-] ZINC000273151024 426602845 /nfs/dbraw/zinc/60/28/45/426602845.db2.gz YWCVSXXLFBLBIL-MRXNPFEDSA-N -1 3 323.393 2.667 20 0 DFADHM COCCOc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000178326523 426606232 /nfs/dbraw/zinc/60/62/32/426606232.db2.gz WKUWVXUBWKQKFZ-UHFFFAOYSA-N -1 3 305.305 2.809 20 0 DFADHM CCOc1ccccc1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000178330293 426608315 /nfs/dbraw/zinc/60/83/15/426608315.db2.gz BXUJIOQGIOVZSA-UHFFFAOYSA-N -1 3 305.305 2.948 20 0 DFADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1ccsc1Cl ZINC000186927007 426609124 /nfs/dbraw/zinc/60/91/24/426609124.db2.gz UZDRJOOBKLIDQT-UHFFFAOYSA-N -1 3 323.761 2.802 20 0 DFADHM O=[S@@](Cc1nc(-c2ccccc2F)no1)c1ccc([O-])cc1 ZINC000186944158 426611782 /nfs/dbraw/zinc/61/17/82/426611782.db2.gz IOTDFJRKJLETBW-QFIPXVFZSA-N -1 3 318.329 2.889 20 0 DFADHM Cc1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)ccc1[O-] ZINC000272562696 426558343 /nfs/dbraw/zinc/55/83/43/426558343.db2.gz JXYLYQIHBZCSOP-OAHLLOKOSA-N -1 3 310.397 2.957 20 0 DFADHM Cc1cc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)ccc1[O-] ZINC000272562693 426559478 /nfs/dbraw/zinc/55/94/78/426559478.db2.gz JXYLYQIHBZCSOP-HNNXBMFYSA-N -1 3 310.397 2.957 20 0 DFADHM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000280725584 426643001 /nfs/dbraw/zinc/64/30/01/426643001.db2.gz MQTCVROIFMNXIA-NXEZZACHSA-N -1 3 316.336 2.555 20 0 DFADHM O=C([N-]C[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C(F)(F)F ZINC000289391633 426646175 /nfs/dbraw/zinc/64/61/75/426646175.db2.gz DPJUOXUCWNDTOB-LBPRGKRZSA-N -1 3 318.314 2.716 20 0 DFADHM Cc1ccc(-c2nc([C@@H]3CN(C(C)C)CCO3)no2)c([O-])c1C ZINC000273367144 426652423 /nfs/dbraw/zinc/65/24/23/426652423.db2.gz CFDIFJSRBYVGFB-AWEZNQCLSA-N -1 3 317.389 2.841 20 0 DFADHM CCCS(=O)(=O)[N-]c1cnc(Cl)c(Br)c1 ZINC000232226142 426653025 /nfs/dbraw/zinc/65/30/25/426653025.db2.gz LRIGONUMZKACTR-UHFFFAOYSA-N -1 3 313.604 2.649 20 0 DFADHM COCCn1cc(NCc2cc([O-])cc(C(F)(F)F)c2)cn1 ZINC000289425484 426653616 /nfs/dbraw/zinc/65/36/16/426653616.db2.gz 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/nfs/dbraw/zinc/66/97/61/426669761.db2.gz QFLKYADLIZTQMX-LLVKDONJSA-N -1 3 303.362 2.611 20 0 DFADHM C[C@@]1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCO[C@@H]1C1CC1 ZINC000273555438 426684976 /nfs/dbraw/zinc/68/49/76/426684976.db2.gz VOZAHISMZYGBQZ-SJLPKXTDSA-N -1 3 312.369 2.628 20 0 DFADHM C[C@@H]1CC(C[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@@H](C)O1 ZINC000280938126 426690086 /nfs/dbraw/zinc/69/00/86/426690086.db2.gz CLYRGNLVAKJDGN-RKDXNWHRSA-N -1 3 323.867 2.883 20 0 DFADHM O=C(N[C@@H](CCO)c1ccco1)c1ccc2c(c1[O-])CCCC2 ZINC000187937152 426708299 /nfs/dbraw/zinc/70/82/99/426708299.db2.gz IHWNYFLDFRWEDU-HNNXBMFYSA-N -1 3 315.369 2.718 20 0 DFADHM O=C(Nc1cn[nH]c1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187985859 426712534 /nfs/dbraw/zinc/71/25/34/426712534.db2.gz YOTMLDCCFPUFOA-UHFFFAOYSA-N -1 3 307.309 2.599 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCCc1nccs1 ZINC000290189764 426712763 /nfs/dbraw/zinc/71/27/63/426712763.db2.gz RVSYTBGRYUOVPK-UHFFFAOYSA-N -1 3 314.407 2.502 20 0 DFADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)s1 ZINC000266084316 426721105 /nfs/dbraw/zinc/72/11/05/426721105.db2.gz CKGACJQCFIHCHR-HTRCEHHLSA-N -1 3 324.265 2.753 20 0 DFADHM O=C([N-]C1CCC(O)(c2ccccc2)CC1)C(F)(F)C(F)F ZINC000273594070 426692747 /nfs/dbraw/zinc/69/27/47/426692747.db2.gz DFIAEJKKYRXMIG-UHFFFAOYSA-N -1 3 319.298 2.833 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2nc(SC)ns2)c1[O-] ZINC000265814650 426695635 /nfs/dbraw/zinc/69/56/35/426695635.db2.gz NDCNDIAIQBITHT-UHFFFAOYSA-N -1 3 311.388 2.535 20 0 DFADHM CC(=O)N1CCN(Cc2cc([O-])cc(F)c2)CC12CCCCC2 ZINC000274438531 426769071 /nfs/dbraw/zinc/76/90/71/426769071.db2.gz BFIQXBLGKCXYRU-UHFFFAOYSA-N -1 3 320.408 2.898 20 0 DFADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)cccc21)c1ccco1 ZINC000188627598 426770096 /nfs/dbraw/zinc/77/00/96/426770096.db2.gz LEZAXXLSDAZJNP-LLVKDONJSA-N -1 3 313.762 2.735 20 0 DFADHM COc1ccc2c(c1)nc(C[N-]c1nc(C(C)C)no1)n2C ZINC000274449143 426771000 /nfs/dbraw/zinc/77/10/00/426771000.db2.gz IJIBVWOOEWOGIC-UHFFFAOYSA-N -1 3 301.350 2.700 20 0 DFADHM CN1CC[C@@H](NC(=O)c2cc(F)ccc2[O-])[C@@H]1c1ccccc1 ZINC000179222167 426771661 /nfs/dbraw/zinc/77/16/61/426771661.db2.gz APBQQJXNFVNSDU-WBVHZDCISA-N -1 3 314.360 2.707 20 0 DFADHM Cc1ccc([O-])c(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n1 ZINC000281825441 426772676 /nfs/dbraw/zinc/77/26/76/426772676.db2.gz RLIMKSALPKPXKD-GOEBONIOSA-N -1 3 302.349 2.543 20 0 DFADHM CCCCCc1nnc([N-]C(=O)c2cnn3ccncc23)s1 ZINC000188714657 426781508 /nfs/dbraw/zinc/78/15/08/426781508.db2.gz NLSBMOSUOFBMEH-UHFFFAOYSA-N -1 3 316.390 2.566 20 0 DFADHM CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccco2)C1(C)C ZINC000188745871 426783087 /nfs/dbraw/zinc/78/30/87/426783087.db2.gz YPRNWMTVUXWHRM-NEPJUHHUSA-N -1 3 301.408 2.542 20 0 DFADHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)O1 ZINC000188740748 426783279 /nfs/dbraw/zinc/78/32/79/426783279.db2.gz RLZVTQMVENQAJL-JTQLQIEISA-N -1 3 321.801 2.715 20 0 DFADHM COc1nnc(NC(=O)CCCCOc2cc(C)ccc2C)[n-]1 ZINC000179362554 426783312 /nfs/dbraw/zinc/78/33/12/426783312.db2.gz HRBCDTIPRMPDSN-UHFFFAOYSA-N -1 3 318.377 2.618 20 0 DFADHM COc1nc(NC(=O)CCCCOc2cc(C)ccc2C)n[n-]1 ZINC000179362554 426783314 /nfs/dbraw/zinc/78/33/14/426783314.db2.gz HRBCDTIPRMPDSN-UHFFFAOYSA-N -1 3 318.377 2.618 20 0 DFADHM COc1n[n-]c(NC(=O)CCCCOc2cc(C)ccc2C)n1 ZINC000179362554 426783317 /nfs/dbraw/zinc/78/33/17/426783317.db2.gz HRBCDTIPRMPDSN-UHFFFAOYSA-N -1 3 318.377 2.618 20 0 DFADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(F)c(Cl)c1)c2[O-] ZINC000179384477 426784555 /nfs/dbraw/zinc/78/45/55/426784555.db2.gz LBCGDIFUJUGELF-UHFFFAOYSA-N -1 3 320.711 2.719 20 0 DFADHM COC(=O)CCCO[N-]C(=O)CC1CC(c2ccccc2)C1 ZINC000290532626 426785903 /nfs/dbraw/zinc/78/59/03/426785903.db2.gz GTZZCDHPTUYZJX-UHFFFAOYSA-N -1 3 305.374 2.571 20 0 DFADHM CC(C)C(=O)Nc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000274240419 426729194 /nfs/dbraw/zinc/72/91/94/426729194.db2.gz UDSFVQUMPCOQGW-CQSZACIVSA-N -1 3 321.377 2.861 20 0 DFADHM CC(C)C(=O)Nc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000274240419 426729198 /nfs/dbraw/zinc/72/91/98/426729198.db2.gz UDSFVQUMPCOQGW-CQSZACIVSA-N -1 3 321.377 2.861 20 0 DFADHM C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000290282701 426732309 /nfs/dbraw/zinc/73/23/09/426732309.db2.gz DFPMGSVTXIGJPE-VIFPVBQESA-N -1 3 313.781 2.848 20 0 DFADHM Cc1nnc([C@H](C)NC(=O)c2ccc3c(c2[O-])CCCC3)s1 ZINC000274282157 426734365 /nfs/dbraw/zinc/73/43/65/426734365.db2.gz ZAAZIXBNFTUZFK-VIFPVBQESA-N -1 3 317.414 2.922 20 0 DFADHM CC(C)c1ccc(C(=O)NC[C@@](C)(O)c2ccco2)c([O-])c1 ZINC000266542137 426735849 /nfs/dbraw/zinc/73/58/49/426735849.db2.gz KJCQFFMXMSMUQG-QGZVFWFLSA-N -1 3 303.358 2.746 20 0 DFADHM O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000274290648 426736109 /nfs/dbraw/zinc/73/61/09/426736109.db2.gz MLVOIEZIIVMWTK-YVEFUNNKSA-N -1 3 312.369 2.628 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NCCCc1ccccn1 ZINC000179070420 426744644 /nfs/dbraw/zinc/74/46/44/426744644.db2.gz HLZUWIWLSXDOBD-UHFFFAOYSA-N -1 3 304.777 2.732 20 0 DFADHM CCc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC000188387548 426749442 /nfs/dbraw/zinc/74/94/42/426749442.db2.gz WCXNRRHJRAPSDH-OAHLLOKOSA-N -1 3 312.369 2.643 20 0 DFADHM COc1cc(C(=O)N(C)[C@@H](C)c2ccccn2)cc(OC)c1[O-] ZINC000179102151 426751823 /nfs/dbraw/zinc/75/18/23/426751823.db2.gz MWEWTDBXXWWGII-NSHDSACASA-N -1 3 316.357 2.638 20 0 DFADHM C[C@H]1CN(C(=O)/C=C/c2cncc([O-])c2)C[C@H](c2ccccc2)O1 ZINC000179454180 426789093 /nfs/dbraw/zinc/78/90/93/426789093.db2.gz GBKIPSYVTSNNFK-LXFDGVPGSA-N -1 3 324.380 2.789 20 0 DFADHM CCc1ccc(C(=O)NCc2ccc(OC)c(O)c2)c([O-])c1 ZINC000188444736 426754120 /nfs/dbraw/zinc/75/41/20/426754120.db2.gz NMNWEUUXWNAZSY-UHFFFAOYSA-N -1 3 301.342 2.599 20 0 DFADHM CC[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCCO1 ZINC000281766770 426761126 /nfs/dbraw/zinc/76/11/26/426761126.db2.gz UHMRKZWICZUXAY-HNNXBMFYSA-N -1 3 303.402 2.912 20 0 DFADHM O=C(c1ccccc1[O-])N1CCCN2c3ccccc3C[C@H]2C1 ZINC000290422082 426762554 /nfs/dbraw/zinc/76/25/54/426762554.db2.gz AYZVGPVJJMVRKP-HNNXBMFYSA-N -1 3 308.381 2.669 20 0 DFADHM O=c1[n-]c(=O)n(CC2CCC(C(F)(F)F)CC2)cc1Cl ZINC000274414110 426763330 /nfs/dbraw/zinc/76/33/30/426763330.db2.gz HOAAPNAGHVVVDY-UHFFFAOYSA-N -1 3 310.703 2.971 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCc3occc3C2)c1 ZINC000290433811 426765068 /nfs/dbraw/zinc/76/50/68/426765068.db2.gz AXJLLYXQLXFCKL-UHFFFAOYSA-N -1 3 314.341 2.532 20 0 DFADHM CCc1nc(NC(=O)c2cc(OC)c([O-])c(OC)c2)sc1C ZINC000179515128 426797948 /nfs/dbraw/zinc/79/79/48/426797948.db2.gz DVFRELONCIXYAO-UHFFFAOYSA-N -1 3 322.386 2.989 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000179555128 426799182 /nfs/dbraw/zinc/79/91/82/426799182.db2.gz SKGNJZUPFDMFCX-GFCCVEGCSA-N -1 3 323.356 2.554 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)/C=C/c2cncc([O-])c2)C12CCCC2 ZINC000179526251 426799834 /nfs/dbraw/zinc/79/98/34/426799834.db2.gz PNGDFVJJJRTULU-DOOVEFGSSA-N -1 3 316.401 2.654 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N(CC1CCC1)CC(F)(F)F ZINC000179537647 426800234 /nfs/dbraw/zinc/80/02/34/426800234.db2.gz IDZKXKHWTPAOEY-SNAWJCMRSA-N -1 3 314.307 2.991 20 0 DFADHM COCCOc1cccc(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000179542870 426800488 /nfs/dbraw/zinc/80/04/88/426800488.db2.gz WTHWAXNNYHCJCZ-UHFFFAOYSA-N -1 3 301.342 2.978 20 0 DFADHM CC(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000281996050 426808135 /nfs/dbraw/zinc/80/81/35/426808135.db2.gz NYQHYLXPGJOXID-UHFFFAOYSA-N -1 3 312.616 2.789 20 0 DFADHM Oc1[n-]c(N[C@H]2CCC[C@@H](C(F)(F)F)C2)nc2nncc1-2 ZINC000274640450 426808237 /nfs/dbraw/zinc/80/82/37/426808237.db2.gz FHEVGUMCPPDUII-RQJHMYQMSA-N -1 3 301.272 2.592 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]CC[C@@H]1CCO[C@@H](C)C1 ZINC000274642574 426809459 /nfs/dbraw/zinc/80/94/59/426809459.db2.gz ANARPIDBTXFQJL-QWHCGFSZSA-N -1 3 315.410 2.618 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000281999467 426810252 /nfs/dbraw/zinc/81/02/52/426810252.db2.gz OFUWMEHTJGWPCK-GZMMTYOYSA-N -1 3 324.229 2.839 20 0 DFADHM C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@@H](C(=O)[O-])C1 ZINC000246269634 426815176 /nfs/dbraw/zinc/81/51/76/426815176.db2.gz LSMQBGIJPHDSAO-GXTWGEPZSA-N -1 3 312.369 2.573 20 0 DFADHM CCc1nccn1[C@@H]1CCCN(C(=O)c2c([O-])cccc2F)C1 ZINC000274724594 426824060 /nfs/dbraw/zinc/82/40/60/426824060.db2.gz YMLOILUTRBVKLV-GFCCVEGCSA-N -1 3 317.364 2.768 20 0 DFADHM CCc1ccccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000189195504 426828716 /nfs/dbraw/zinc/82/87/16/426828716.db2.gz OMQYLRKBIHVQTD-UHFFFAOYSA-N -1 3 324.424 2.913 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000282110332 426831914 /nfs/dbraw/zinc/83/19/14/426831914.db2.gz OKVYYRKTCORENO-NUEKZKHPSA-N -1 3 303.402 2.856 20 0 DFADHM Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2CO)c([O-])c1C ZINC000274787500 426838328 /nfs/dbraw/zinc/83/83/28/426838328.db2.gz KPELWITZUJJBSB-QGZVFWFLSA-N -1 3 311.381 2.741 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000282151502 426840518 /nfs/dbraw/zinc/84/05/18/426840518.db2.gz QIHVINLDZSNPQR-NWANDNLSSA-N -1 3 319.401 2.557 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)s1 ZINC000282188569 426848918 /nfs/dbraw/zinc/84/89/18/426848918.db2.gz DXVVZGPGWZKOSU-SNVBAGLBSA-N -1 3 324.418 2.864 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1C ZINC000295175326 426852488 /nfs/dbraw/zinc/85/24/88/426852488.db2.gz HNOCRMXHZWYUTK-UHFFFAOYSA-N -1 3 311.325 2.623 20 0 DFADHM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)cc1)OCO2 ZINC000180360540 426854023 /nfs/dbraw/zinc/85/40/23/426854023.db2.gz MEFMNNLBDIHPFM-UHFFFAOYSA-N -1 3 309.318 2.664 20 0 DFADHM CCC[C@@]1(C)CCCN(C(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000274558882 426791809 /nfs/dbraw/zinc/79/18/09/426791809.db2.gz YDQZPNNEXLDSCM-SFHVURJKSA-N -1 3 318.417 2.551 20 0 DFADHM CCOc1ccc(OC)cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000179481569 426792878 /nfs/dbraw/zinc/79/28/78/426792878.db2.gz GFDWZMLCEQLCLX-QPJJXVBHSA-N -1 3 314.341 2.846 20 0 DFADHM CCS[C@H]1CCCCN(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000179493433 426794540 /nfs/dbraw/zinc/79/45/40/426794540.db2.gz KVBYIPJSVDVICL-LFAOLKIESA-N -1 3 306.431 2.935 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCc1cc2ccccc2o1 ZINC000179511507 426796545 /nfs/dbraw/zinc/79/65/45/426796545.db2.gz OAMAHAVTMQPSFT-AATRIKPKSA-N -1 3 308.337 2.906 20 0 DFADHM Cc1cnc([C@@H](NC(=O)/C=C/c2cncc([O-])c2)C2CC2)s1 ZINC000179517834 426796940 /nfs/dbraw/zinc/79/69/40/426796940.db2.gz NCWNXFZPYYHWKT-IJJSQOHJSA-N -1 3 315.398 2.833 20 0 DFADHM O=C1CCCCN1C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000295353588 426920341 /nfs/dbraw/zinc/92/03/41/426920341.db2.gz NIKZLDBTQWPPCX-UHFFFAOYSA-N -1 3 324.371 2.647 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)c([O-])c1 ZINC000189680105 426923126 /nfs/dbraw/zinc/92/31/26/426923126.db2.gz JQWNLANVEZFHDD-CQSZACIVSA-N -1 3 319.401 2.570 20 0 DFADHM CCC[C@H]1[C@H](C)CCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000275208261 426863380 /nfs/dbraw/zinc/86/33/80/426863380.db2.gz ZKOUKCKIIRKXCR-CJNGLKHVSA-N -1 3 318.417 2.549 20 0 DFADHM CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000267319592 426869898 /nfs/dbraw/zinc/86/98/98/426869898.db2.gz GMXGMTRQFIURNS-ZDUSSCGKSA-N -1 3 308.353 2.507 20 0 DFADHM O=C([N-]CCCN1CCCC[C@H]1c1nccs1)C(F)(F)F ZINC000180597912 426871712 /nfs/dbraw/zinc/87/17/12/426871712.db2.gz UFLRZOOFQXMONY-JTQLQIEISA-N -1 3 321.368 2.739 20 0 DFADHM Cn1cc(CNC(=O)c2cccc([O-])c2)c(-c2ccccc2)n1 ZINC000180655262 426875813 /nfs/dbraw/zinc/87/58/13/426875813.db2.gz HWLVJXNJLKRJDC-UHFFFAOYSA-N -1 3 307.353 2.723 20 0 DFADHM CCCCOc1cccc(NC(=O)[N-]OC[C@@H]2CCOC2)c1 ZINC000189520304 426878758 /nfs/dbraw/zinc/87/87/58/426878758.db2.gz VXLDTPGTCSWROP-CYBMUJFWSA-N -1 3 308.378 2.955 20 0 DFADHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000282321340 426882387 /nfs/dbraw/zinc/88/23/87/426882387.db2.gz YOAINGIOMUTYSP-UTXMOHQDSA-N -1 3 303.402 2.794 20 0 DFADHM O=C(NCC1(c2ccc(F)cc2Cl)CCCC1)c1c[n-]nn1 ZINC000189557722 426889988 /nfs/dbraw/zinc/88/99/88/426889988.db2.gz XLHMXINSLAHIDR-UHFFFAOYSA-N -1 3 322.771 2.839 20 0 DFADHM O=C(NCC1(c2ccc(F)cc2Cl)CCCC1)c1cnn[n-]1 ZINC000189557722 426889995 /nfs/dbraw/zinc/88/99/95/426889995.db2.gz XLHMXINSLAHIDR-UHFFFAOYSA-N -1 3 322.771 2.839 20 0 DFADHM O=C(NCC1(c2ccc(F)cc2Cl)CCCC1)c1cn[n-]n1 ZINC000189557722 426889999 /nfs/dbraw/zinc/88/99/99/426889999.db2.gz XLHMXINSLAHIDR-UHFFFAOYSA-N -1 3 322.771 2.839 20 0 DFADHM O=C(NCc1ccc(Cl)cc1F)c1cc(F)cc2nn[n-]c21 ZINC000337634781 426890691 /nfs/dbraw/zinc/89/06/91/426890691.db2.gz PEJJEQOHAKKKKB-UHFFFAOYSA-N -1 3 322.702 2.820 20 0 DFADHM O=C(NCc1ccc(Cl)cc1F)c1cc(F)cc2[n-]nnc21 ZINC000337634781 426890696 /nfs/dbraw/zinc/89/06/96/426890696.db2.gz PEJJEQOHAKKKKB-UHFFFAOYSA-N -1 3 322.702 2.820 20 0 DFADHM O=C(NCc1ccc(Cl)cc1F)c1cc(F)cc2n[n-]nc21 ZINC000337634781 426890702 /nfs/dbraw/zinc/89/07/02/426890702.db2.gz PEJJEQOHAKKKKB-UHFFFAOYSA-N -1 3 322.702 2.820 20 0 DFADHM CCc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2)c([O-])c1 ZINC000189576666 426895559 /nfs/dbraw/zinc/89/55/59/426895559.db2.gz SGCGLVQKUYEGLA-UHFFFAOYSA-N -1 3 312.369 2.665 20 0 DFADHM COC(=O)Nc1ccc(NC(=O)c2cccc([O-])c2)cc1F ZINC000180916398 426896554 /nfs/dbraw/zinc/89/65/54/426896554.db2.gz LHPDXDLGBCICEO-UHFFFAOYSA-N -1 3 304.277 2.962 20 0 DFADHM C[C@@H]1CCO[C@@H]1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000295309775 426902979 /nfs/dbraw/zinc/90/29/79/426902979.db2.gz FZGRCLSKSHENLI-RNCFNFMXSA-N -1 3 312.329 2.581 20 0 DFADHM C[C@@H]1CCO[C@@H]1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000295309775 426902984 /nfs/dbraw/zinc/90/29/84/426902984.db2.gz FZGRCLSKSHENLI-RNCFNFMXSA-N -1 3 312.329 2.581 20 0 DFADHM C[C@@H]1CCO[C@@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000295309775 426902993 /nfs/dbraw/zinc/90/29/93/426902993.db2.gz FZGRCLSKSHENLI-RNCFNFMXSA-N -1 3 312.329 2.581 20 0 DFADHM Cc1ncc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)s1 ZINC000337666541 426910487 /nfs/dbraw/zinc/91/04/87/426910487.db2.gz UUPVTHWIKTWPRL-UHFFFAOYSA-N -1 3 317.345 2.993 20 0 DFADHM Cc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3[n-]nnc32)o1 ZINC000282440038 426912702 /nfs/dbraw/zinc/91/27/02/426912702.db2.gz DSRZANTYNMAJGZ-CYBMUJFWSA-N -1 3 314.320 2.976 20 0 DFADHM Cc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3nn[n-]c32)o1 ZINC000282440038 426912706 /nfs/dbraw/zinc/91/27/06/426912706.db2.gz DSRZANTYNMAJGZ-CYBMUJFWSA-N -1 3 314.320 2.976 20 0 DFADHM Cc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3n[n-]nc32)o1 ZINC000282440038 426912713 /nfs/dbraw/zinc/91/27/13/426912713.db2.gz DSRZANTYNMAJGZ-CYBMUJFWSA-N -1 3 314.320 2.976 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)ccc1[O-] ZINC000275917717 426948183 /nfs/dbraw/zinc/94/81/83/426948183.db2.gz ABKLPPLHLWLJSO-UKRRQHHQSA-N -1 3 307.390 2.724 20 0 DFADHM CCCOc1ccc(CNC(=O)c2ccc([O-])c(OC)c2)cn1 ZINC000275919778 426948661 /nfs/dbraw/zinc/94/86/61/426948661.db2.gz AHTFWNSNUYMBIG-UHFFFAOYSA-N -1 3 316.357 2.515 20 0 DFADHM Cn1cc(C(=O)Nc2ccc(Cl)cc2[O-])c([C@@H]2CCOC2)n1 ZINC000275961904 426957079 /nfs/dbraw/zinc/95/70/79/426957079.db2.gz LZKKIQMVDROBAR-SECBINFHSA-N -1 3 321.764 2.535 20 0 DFADHM COc1cc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)ccc1[O-] ZINC000276043130 426974658 /nfs/dbraw/zinc/97/46/58/426974658.db2.gz WMLWAQIXVNJVKB-XJKSGUPXSA-N -1 3 307.390 2.582 20 0 DFADHM Cc1cccc(C(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)c1[O-] ZINC000295479167 426975489 /nfs/dbraw/zinc/97/54/89/426975489.db2.gz QUWIHPOXFNFXJQ-UHFFFAOYSA-N -1 3 324.380 2.604 20 0 DFADHM C[C@]1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCS1 ZINC000268285880 426978376 /nfs/dbraw/zinc/97/83/76/426978376.db2.gz PQUCCLGELNJAKF-MRXNPFEDSA-N -1 3 302.399 2.956 20 0 DFADHM COC(=O)c1ccc(-c2nc(CO[C@H]3CCCC[C@@H]3C)no2)[n-]1 ZINC000291781650 426987431 /nfs/dbraw/zinc/98/74/31/426987431.db2.gz AEPKXMISYQNTPL-GWCFXTLKSA-N -1 3 319.361 2.947 20 0 DFADHM CCCc1nc(C(=O)[N-]c2oc(CC)nc2C(=O)OCC)co1 ZINC000337826246 426987855 /nfs/dbraw/zinc/98/78/55/426987855.db2.gz QQBGLDCBKSODNO-UHFFFAOYSA-N -1 3 321.333 2.607 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000291796871 426989857 /nfs/dbraw/zinc/98/98/57/426989857.db2.gz PIKICBRLOPOPOP-JTQLQIEISA-N -1 3 312.366 2.812 20 0 DFADHM C[C@@H]1CCCC[C@H]1OCCNC(=O)/C=C/c1cncc([O-])c1 ZINC000181886092 426990494 /nfs/dbraw/zinc/99/04/94/426990494.db2.gz MXDMHFCCRBUJKU-GTKVBAFNSA-N -1 3 304.390 2.512 20 0 DFADHM CC[C@@H](CO)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000181315262 426933155 /nfs/dbraw/zinc/93/31/55/426933155.db2.gz AEFKOVKXZLIFNT-LBPRGKRZSA-N -1 3 301.342 2.685 20 0 DFADHM [O-]c1cccc(CN[C@@H]2CCC[C@@H](O)C2)c1Br ZINC000315222265 426934379 /nfs/dbraw/zinc/93/43/79/426934379.db2.gz PNAZZXMVFGKKGD-GHMZBOCLSA-N -1 3 300.196 2.548 20 0 DFADHM Cc1cccc(CCCSc2nnc3[n-]c(=O)c(C)nn32)c1 ZINC000182335323 427057859 /nfs/dbraw/zinc/05/78/59/427057859.db2.gz GSQNKXPXUCWMMK-UHFFFAOYSA-N -1 3 315.402 2.567 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC(Oc2ccccc2)CC1 ZINC000181930751 426995462 /nfs/dbraw/zinc/99/54/62/426995462.db2.gz KIAQMJFXRAREEV-VOTSOKGWSA-N -1 3 324.380 2.870 20 0 DFADHM CC1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCCCCC1 ZINC000181970665 427003533 /nfs/dbraw/zinc/00/35/33/427003533.db2.gz AQJKLKQFKDLZPB-UHFFFAOYSA-N -1 3 313.405 2.843 20 0 DFADHM CC1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCCCCC1 ZINC000181970665 427003539 /nfs/dbraw/zinc/00/35/39/427003539.db2.gz AQJKLKQFKDLZPB-UHFFFAOYSA-N -1 3 313.405 2.843 20 0 DFADHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C(\C)c1ccc(F)cc1 ZINC000295563435 427007485 /nfs/dbraw/zinc/00/74/85/427007485.db2.gz NGZHSTGMUHVTDF-ZHACJKMWSA-N -1 3 309.337 2.619 20 0 DFADHM Cc1ccccc1-n1nccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000182015429 427007957 /nfs/dbraw/zinc/00/79/57/427007957.db2.gz FCTGRILGTLDFNV-VOTSOKGWSA-N -1 3 320.352 2.933 20 0 DFADHM C[C@]1(c2ccccc2)CN(C(=O)/C=C/c2cncc([O-])c2)CCO1 ZINC000182107417 427012067 /nfs/dbraw/zinc/01/20/67/427012067.db2.gz IDKHXHMAIKIWSP-IHHMQQGQSA-N -1 3 324.380 2.575 20 0 DFADHM CCc1cc(C(=O)N2CCC(c3cnn(C)c3)CC2)ccc1[O-] ZINC000291877250 427015073 /nfs/dbraw/zinc/01/50/73/427015073.db2.gz HYYWYNLAEAQMAT-UHFFFAOYSA-N -1 3 313.401 2.708 20 0 DFADHM Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2cncc([O-])c2)n1 ZINC000182124331 427015292 /nfs/dbraw/zinc/01/52/92/427015292.db2.gz UUVQKWBKNPHVMI-OZSKJFCKSA-N -1 3 309.369 2.868 20 0 DFADHM CCOc1ccccc1CN(C)C(=O)c1ccc(O)cc1[O-] ZINC000182139954 427016250 /nfs/dbraw/zinc/01/62/50/427016250.db2.gz WMNACDGSPNRDIP-UHFFFAOYSA-N -1 3 301.342 2.769 20 0 DFADHM CCOC(=O)[C@H](CC)N(C(=O)c1ccc(C)cc1[O-])C1CC1 ZINC000276250148 427019070 /nfs/dbraw/zinc/01/90/70/427019070.db2.gz QHVHOIWKBGXZMA-AWEZNQCLSA-N -1 3 305.374 2.647 20 0 DFADHM C[C@H](NC(=O)/C=C/c1cncc([O-])c1)c1cccc(F)c1F ZINC000182174510 427022066 /nfs/dbraw/zinc/02/20/66/427022066.db2.gz AGCBWFBEKDZECS-PORFMDCZSA-N -1 3 304.296 2.956 20 0 DFADHM CCCNC(=O)c1ccc(NC(=O)[N-]OC[C@H](C)CC)cc1 ZINC000291905297 427023851 /nfs/dbraw/zinc/02/38/51/427023851.db2.gz QBIXWQXPKUHXHE-GFCCVEGCSA-N -1 3 307.394 2.926 20 0 DFADHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000276281852 427025488 /nfs/dbraw/zinc/02/54/88/427025488.db2.gz WZXKBXFTIZQZBG-UHFFFAOYSA-N -1 3 311.856 2.621 20 0 DFADHM CCc1ccc(NC(=O)[C@@H](C)Sc2n[n-]c(COC)n2)cc1 ZINC000268468122 427026233 /nfs/dbraw/zinc/02/62/33/427026233.db2.gz FOCIFYMLSKDDGD-SNVBAGLBSA-N -1 3 320.418 2.633 20 0 DFADHM COC(=O)N(C)c1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000182224041 427031388 /nfs/dbraw/zinc/03/13/88/427031388.db2.gz CZMQIRIOHKJBRE-UHFFFAOYSA-N -1 3 300.314 2.847 20 0 DFADHM CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cccc([O-])c1 ZINC000182241029 427034176 /nfs/dbraw/zinc/03/41/76/427034176.db2.gz PSXITRBXRYUVBT-UHFFFAOYSA-N -1 3 309.369 2.973 20 0 DFADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@H]3C(F)F)cc2)n1 ZINC000337915627 427036331 /nfs/dbraw/zinc/03/63/31/427036331.db2.gz PHALFCVVXTVBHK-VXGBXAGGSA-N -1 3 319.311 2.585 20 0 DFADHM O=C([N-]OC[C@H]1CCOC1)C1(Cc2ccccc2Cl)CC1 ZINC000276347416 427042524 /nfs/dbraw/zinc/04/25/24/427042524.db2.gz IFCIVRUTHDPNDN-LBPRGKRZSA-N -1 3 309.793 2.747 20 0 DFADHM CC(C)Oc1cc(F)ccc1NC([O-])=NOC[C@@H]1CCOC1 ZINC000276347357 427042820 /nfs/dbraw/zinc/04/28/20/427042820.db2.gz IDQYTFMWSQHBEU-LLVKDONJSA-N -1 3 312.341 2.703 20 0 DFADHM CC(C)Oc1cc(F)ccc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000276347357 427042828 /nfs/dbraw/zinc/04/28/28/427042828.db2.gz IDQYTFMWSQHBEU-LLVKDONJSA-N -1 3 312.341 2.703 20 0 DFADHM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cccc([O-])c1 ZINC000182285815 427044689 /nfs/dbraw/zinc/04/46/89/427044689.db2.gz CSKATNUINXNKKG-UHFFFAOYSA-N -1 3 306.268 2.881 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000182311449 427051539 /nfs/dbraw/zinc/05/15/39/427051539.db2.gz UATVTEIBVZARRG-INIZCTEOSA-N -1 3 319.307 2.884 20 0 DFADHM Cn1c(CN[C@@H](CC(=O)[O-])CC(C)(C)C)nc2ccccc21 ZINC000283763368 427072350 /nfs/dbraw/zinc/07/23/50/427072350.db2.gz AYRBJJDPBTVEJL-LBPRGKRZSA-N -1 3 303.406 2.942 20 0 DFADHM NC(=O)c1ccc(F)c([N-]C(=O)c2coc(C3CCCC3)n2)c1 ZINC000337981874 427074836 /nfs/dbraw/zinc/07/48/36/427074836.db2.gz STASWWQKJIXCJL-UHFFFAOYSA-N -1 3 317.320 2.823 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@H](C)c2ccncc2F)c1F ZINC000337984806 427074947 /nfs/dbraw/zinc/07/49/47/427074947.db2.gz SYMRVZNESVJWKK-SNVBAGLBSA-N -1 3 312.341 2.708 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1ccncc1F ZINC000337985045 427075902 /nfs/dbraw/zinc/07/59/02/427075902.db2.gz JBOCWCIGCZVGJM-JTQLQIEISA-N -1 3 312.341 2.708 20 0 DFADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCCCO1 ZINC000296126603 427084314 /nfs/dbraw/zinc/08/43/14/427084314.db2.gz QXEVWWRBNQQIJN-LLVKDONJSA-N -1 3 314.179 2.971 20 0 DFADHM CC(C)(C)c1ccc(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)s1 ZINC000329300809 427085491 /nfs/dbraw/zinc/08/54/91/427085491.db2.gz VVZUFJSEZLKECG-NSHDSACASA-N -1 3 307.419 2.622 20 0 DFADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccccc1Cl ZINC000296148646 427092461 /nfs/dbraw/zinc/09/24/61/427092461.db2.gz JMTHMCMCFJLOIQ-UHFFFAOYSA-N -1 3 300.742 2.735 20 0 DFADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccccc1Cl ZINC000296148646 427092469 /nfs/dbraw/zinc/09/24/69/427092469.db2.gz JMTHMCMCFJLOIQ-UHFFFAOYSA-N -1 3 300.742 2.735 20 0 DFADHM CCOc1ccc(/C=C/C(=O)[N-]OC/C=C/Cl)cc1OC ZINC000292111889 427093434 /nfs/dbraw/zinc/09/34/34/427093434.db2.gz DFFZBKIRXNHTMS-KRDKKKDJSA-N -1 3 311.765 2.907 20 0 DFADHM CCOc1cc([C@@H]2NC(=O)[C@H]3C[C@H](C)CCN32)cc(Cl)c1[O-] ZINC000249193679 427097077 /nfs/dbraw/zinc/09/70/77/427097077.db2.gz BAFOCHBRSWDAMJ-DDHOLCJHSA-N -1 3 324.808 2.673 20 0 DFADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cnc2ccccc2n1 ZINC000182701931 427129358 /nfs/dbraw/zinc/12/93/58/427129358.db2.gz CXCJFENOWBCVMU-UHFFFAOYSA-N -1 3 322.372 2.979 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)C1 ZINC000329399790 427108166 /nfs/dbraw/zinc/10/81/66/427108166.db2.gz VRLHFEVNBSQKFI-IPJQOSJUSA-N -1 3 321.421 2.837 20 0 DFADHM CCC1(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)CCCC1 ZINC000329412530 427109635 /nfs/dbraw/zinc/10/96/35/427109635.db2.gz YJGPOEHMNGYBPO-LRDDRELGSA-N -1 3 321.421 2.981 20 0 DFADHM Cc1nn(C)c(Cl)c1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000182674542 427124460 /nfs/dbraw/zinc/12/44/60/427124460.db2.gz DVDIDHQNEJLNLW-UHFFFAOYSA-N -1 3 322.800 2.731 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N(Cc1cccs1)C1CC1 ZINC000277310261 427160574 /nfs/dbraw/zinc/16/05/74/427160574.db2.gz FBAKYAYFFISDLO-UHFFFAOYSA-N -1 3 316.361 2.963 20 0 DFADHM CC[C@@H](C)[C@@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000182731709 427134925 /nfs/dbraw/zinc/13/49/25/427134925.db2.gz OOUFVEHGUISBJC-GHMZBOCLSA-N -1 3 300.424 2.913 20 0 DFADHM CC[C@H](C)[C@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000182731765 427135018 /nfs/dbraw/zinc/13/50/18/427135018.db2.gz OOUFVEHGUISBJC-QWRGUYRKSA-N -1 3 300.424 2.913 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)CCc1nc(-c2cccs2)no1 ZINC000292248669 427144362 /nfs/dbraw/zinc/14/43/62/427144362.db2.gz QSLLDUXHKPATKX-SNVBAGLBSA-N -1 3 309.391 2.825 20 0 DFADHM CO[C@](C)(C(=O)Nc1nc(C)ccc1[O-])c1ccccc1F ZINC000277278049 427148770 /nfs/dbraw/zinc/14/87/70/427148770.db2.gz NBWQVUFRRXCWHU-INIZCTEOSA-N -1 3 304.321 2.735 20 0 DFADHM O=S(=O)(CC12CCC(CC1)C2)[N-]Cc1noc2ccccc21 ZINC000329657696 427157813 /nfs/dbraw/zinc/15/78/13/427157813.db2.gz MZSXRLYRKYEZSW-UHFFFAOYSA-N -1 3 320.414 2.828 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@@](C)(O)CCC(C)C)c(F)c1 ZINC000121092736 271019415 /nfs/dbraw/zinc/01/94/15/271019415.db2.gz IRTIXXLJPBJRBV-HNNXBMFYSA-N -1 3 317.426 2.600 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N(Cc1cccs1)C1CC1 ZINC000277310261 427160556 /nfs/dbraw/zinc/16/05/56/427160556.db2.gz FBAKYAYFFISDLO-UHFFFAOYSA-N -1 3 316.361 2.963 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N(Cc1cccs1)C1CC1 ZINC000277310261 427160566 /nfs/dbraw/zinc/16/05/66/427160566.db2.gz FBAKYAYFFISDLO-UHFFFAOYSA-N -1 3 316.361 2.963 20 0 DFADHM O=C(Nc1cccc([O-])c1F)[C@@H]1COc2ccc(F)cc2C1 ZINC000128704666 271036292 /nfs/dbraw/zinc/03/62/92/271036292.db2.gz DXJBGBVVNQJOOC-JTQLQIEISA-N -1 3 305.280 2.860 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)c([O-])c1 ZINC000155853289 271056642 /nfs/dbraw/zinc/05/66/42/271056642.db2.gz MTSZHNPLEIXGOY-ZDUSSCGKSA-N -1 3 322.368 2.772 20 0 DFADHM O=C(c1cc(Cl)ccc1[O-])N1CCCC[C@@H]1c1nnc[nH]1 ZINC000296373274 427161577 /nfs/dbraw/zinc/16/15/77/427161577.db2.gz HBOLRQSCIMGYPX-LLVKDONJSA-N -1 3 306.753 2.531 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)c3ccsc3)[n-]c21 ZINC000157801073 271070990 /nfs/dbraw/zinc/07/09/90/271070990.db2.gz WLSZBCONTPVIIQ-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccsc3)nc21 ZINC000157801073 271071001 /nfs/dbraw/zinc/07/10/01/271071001.db2.gz WLSZBCONTPVIIQ-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM CS[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000158033893 271073066 /nfs/dbraw/zinc/07/30/66/271073066.db2.gz SSFKBFKSGSTKOA-MRVPVSSYSA-N -1 3 311.831 2.817 20 0 DFADHM COc1nnc(NC(=O)c2sc3cccc(F)c3c2C)[n-]1 ZINC000158195537 271075154 /nfs/dbraw/zinc/07/51/54/271075154.db2.gz SLFFARDMQPSGEB-UHFFFAOYSA-N -1 3 306.322 2.728 20 0 DFADHM COc1nc(NC(=O)c2sc3cccc(F)c3c2C)n[n-]1 ZINC000158195537 271075155 /nfs/dbraw/zinc/07/51/55/271075155.db2.gz SLFFARDMQPSGEB-UHFFFAOYSA-N -1 3 306.322 2.728 20 0 DFADHM COc1n[n-]c(NC(=O)c2sc3cccc(F)c3c2C)n1 ZINC000158195537 271075156 /nfs/dbraw/zinc/07/51/56/271075156.db2.gz SLFFARDMQPSGEB-UHFFFAOYSA-N -1 3 306.322 2.728 20 0 DFADHM C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])CN1C1CC1 ZINC000158583018 271075981 /nfs/dbraw/zinc/07/59/81/271075981.db2.gz HFNTYKCRSKRLLC-PSASIEDQSA-N -1 3 312.772 2.540 20 0 DFADHM CCC[C@@H](CC)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000170829109 271101408 /nfs/dbraw/zinc/10/14/08/271101408.db2.gz DIVMXCSHLFKAFL-CYBMUJFWSA-N -1 3 306.406 2.515 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(C2CCCC2)no1 ZINC000174046635 271123711 /nfs/dbraw/zinc/12/37/11/271123711.db2.gz VZQLZMZEBUGTJG-NSHDSACASA-N -1 3 321.402 2.767 20 0 DFADHM CCc1noc([N-]Cc2cnc3ccc(Br)cn23)n1 ZINC000292301193 427163420 /nfs/dbraw/zinc/16/34/20/427163420.db2.gz AEUQZXRFQREUOG-UHFFFAOYSA-N -1 3 322.166 2.654 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CCc2ccsc2)c(F)cc1F ZINC000175783864 271158372 /nfs/dbraw/zinc/15/83/72/271158372.db2.gz OYSNOIGMULGYDM-UHFFFAOYSA-N -1 3 317.382 2.856 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CCc2cccs2)c(F)cc1F ZINC000175779915 271159040 /nfs/dbraw/zinc/15/90/40/271159040.db2.gz CXKYCMCOHNMKHY-UHFFFAOYSA-N -1 3 317.382 2.856 20 0 DFADHM CN(C)[C@H](CNC(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000177087262 271174541 /nfs/dbraw/zinc/17/45/41/271174541.db2.gz YVMDFUPHYSJPSR-OAHLLOKOSA-N -1 3 320.339 2.703 20 0 DFADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(F)c2)CC(C)(C)O1 ZINC000190582052 271213293 /nfs/dbraw/zinc/21/32/93/271213293.db2.gz BJLYONSNCNADKR-UHFFFAOYSA-N -1 3 310.369 2.630 20 0 DFADHM CCC(CC)n1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)n1 ZINC000269322922 427168292 /nfs/dbraw/zinc/16/82/92/427168292.db2.gz SYQDQTISTYPJRY-UHFFFAOYSA-N -1 3 316.287 2.633 20 0 DFADHM CCC(CC)n1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)n1 ZINC000269322922 427168298 /nfs/dbraw/zinc/16/82/98/427168298.db2.gz SYQDQTISTYPJRY-UHFFFAOYSA-N -1 3 316.287 2.633 20 0 DFADHM CCC[C@@H](C)CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000195442582 271234562 /nfs/dbraw/zinc/23/45/62/271234562.db2.gz FARNAGJNPSTERK-CQSZACIVSA-N -1 3 318.417 2.503 20 0 DFADHM CC(=O)c1cnc([N-]C(=O)c2nc3cccnc3s2)s1 ZINC000338172429 427169019 /nfs/dbraw/zinc/16/90/19/427169019.db2.gz BVSAKCFYLSRSEB-UHFFFAOYSA-N -1 3 304.356 2.603 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCCC23CCCC3)cn1C ZINC000329737506 427167367 /nfs/dbraw/zinc/16/73/67/427167367.db2.gz MEHBEOBGMNKVEX-CYBMUJFWSA-N -1 3 311.451 2.510 20 0 DFADHM CO[C@H](C[N-]C(=O)C(F)(F)c1c(F)cccc1F)C(C)C ZINC000270474702 271294841 /nfs/dbraw/zinc/29/48/41/271294841.db2.gz VSSOGJOFXKGWDN-LLVKDONJSA-N -1 3 307.287 2.844 20 0 DFADHM CC(C)CCn1cc(C(=O)N2CCCc3cccc([O-])c32)nn1 ZINC000182949246 427171687 /nfs/dbraw/zinc/17/16/87/427171687.db2.gz XTDKILZIMHPCIG-UHFFFAOYSA-N -1 3 314.389 2.623 20 0 DFADHM O=c1[n-]c(=O)n(CCCSCc2ccccc2)cc1Cl ZINC000270594591 271315479 /nfs/dbraw/zinc/31/54/79/271315479.db2.gz WJWIWRZSNNMENN-UHFFFAOYSA-N -1 3 310.806 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HHTOWVMPXNCESB-SNVBAGLBSA-N -1 3 304.350 2.789 20 0 DFADHM O=C1NCCN1c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000336860020 427764644 /nfs/dbraw/zinc/76/46/44/427764644.db2.gz MVMLNDYCOXNSFQ-UHFFFAOYSA-N -1 3 301.321 2.673 20 0 DFADHM CC(C)(C)[C@H]1NC(=O)CC[C@H]1NCc1cccc([O-])c1Cl ZINC000339400808 427769266 /nfs/dbraw/zinc/76/92/66/427769266.db2.gz RKQRDGDRLHVPOG-ABAIWWIYSA-N -1 3 310.825 2.829 20 0 DFADHM COC(=O)c1ccc(C(=O)[N-]c2nc(-c3ccccc3)co2)o1 ZINC000339401679 427769308 /nfs/dbraw/zinc/76/93/08/427769308.db2.gz MWOSNLVTLRWGID-UHFFFAOYSA-N -1 3 312.281 2.974 20 0 DFADHM Cc1cc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)ccc1[O-] ZINC000336873297 427770026 /nfs/dbraw/zinc/77/00/26/427770026.db2.gz SCIPJRIZWKJNAC-QGZVFWFLSA-N -1 3 310.397 2.830 20 0 DFADHM O=S(=O)([N-]CCCc1c[nH]c2ccc(F)cc12)c1ccco1 ZINC000336968513 427781389 /nfs/dbraw/zinc/78/13/89/427781389.db2.gz ASBNPTWUYZFNQR-UHFFFAOYSA-N -1 3 322.361 2.811 20 0 DFADHM O=C(CCCNC(=O)[C@H]1CC=CCC1)Nc1cc(F)ccc1[O-] ZINC000336966487 427781837 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ZINC000186039514 427742199 /nfs/dbraw/zinc/74/21/99/427742199.db2.gz VISKJPJBAIXIAV-UHFFFAOYSA-N -1 3 303.131 2.612 20 0 DFADHM Cc1ccccc1OCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000337042400 427792079 /nfs/dbraw/zinc/79/20/79/427792079.db2.gz CESZJNBBCXBTKE-UHFFFAOYSA-N -1 3 322.364 2.645 20 0 DFADHM Cc1ccccc1NCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000339607432 427799755 /nfs/dbraw/zinc/79/97/55/427799755.db2.gz MYKYIAJIJHOGIY-UHFFFAOYSA-N -1 3 322.372 2.616 20 0 DFADHM Cc1ccccc1NCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000339607432 427799757 /nfs/dbraw/zinc/79/97/57/427799757.db2.gz MYKYIAJIJHOGIY-UHFFFAOYSA-N -1 3 322.372 2.616 20 0 DFADHM Cc1nc(C)c(CC(=O)N(CC(C)C)C2CCCC2)c(=O)[n-]1 ZINC000346096000 272570966 /nfs/dbraw/zinc/57/09/66/272570966.db2.gz JVKNLDIKQXCRCY-UHFFFAOYSA-N -1 3 305.422 2.769 20 0 DFADHM CCOc1nc2ccc(C(=O)Nc3ccc(OC)nc3)cc2[n-]1 ZINC000345624168 427833333 /nfs/dbraw/zinc/83/33/33/427833333.db2.gz CBYXDKRSLHYKGK-UHFFFAOYSA-N -1 3 312.329 2.618 20 0 DFADHM CCOc1nc2cc(C(=O)Nc3ccc(OC)nc3)ccc2[n-]1 ZINC000345624168 427833338 /nfs/dbraw/zinc/83/33/38/427833338.db2.gz CBYXDKRSLHYKGK-UHFFFAOYSA-N -1 3 312.329 2.618 20 0 DFADHM CCOc1nc2cc(C(=O)NCCc3cccs3)ccc2[n-]1 ZINC000345633648 427838794 /nfs/dbraw/zinc/83/87/94/427838794.db2.gz RXHVARRPYRQEPG-UHFFFAOYSA-N -1 3 315.398 2.996 20 0 DFADHM CCOc1nc2ccc(C(=O)NCCc3cccs3)cc2[n-]1 ZINC000345633648 427838799 /nfs/dbraw/zinc/83/87/99/427838799.db2.gz RXHVARRPYRQEPG-UHFFFAOYSA-N -1 3 315.398 2.996 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(C(C)=O)c1)C(F)(F)F ZINC000345640531 427840535 /nfs/dbraw/zinc/84/05/35/427840535.db2.gz NZKMPOCCYKLUIW-LLVKDONJSA-N -1 3 309.309 2.508 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000346239674 272603463 /nfs/dbraw/zinc/60/34/63/272603463.db2.gz ODOHTEZPYFNSLM-YOEHRIQHSA-N -1 3 321.392 2.928 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2c3c(ccc2OC)CCC3)c[n-]1 ZINC000349800159 427866589 /nfs/dbraw/zinc/86/65/89/427866589.db2.gz LHHNVWISNDYALS-UHFFFAOYSA-N -1 3 314.341 2.551 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)CC2(O)CCCCC2)c([O-])c1 ZINC000340514244 427870019 /nfs/dbraw/zinc/87/00/19/427870019.db2.gz JSCSPAMINYQZFK-UHFFFAOYSA-N -1 3 321.373 2.593 20 0 DFADHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(F)cc1F ZINC000337400643 427886919 /nfs/dbraw/zinc/88/69/19/427886919.db2.gz LDCDHVJLGKFPBL-SSDOTTSWSA-N -1 3 320.274 2.866 20 0 DFADHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(F)cc1F ZINC000337400643 427886923 /nfs/dbraw/zinc/88/69/23/427886923.db2.gz LDCDHVJLGKFPBL-SSDOTTSWSA-N -1 3 320.274 2.866 20 0 DFADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(F)cc1F ZINC000337400643 427886926 /nfs/dbraw/zinc/88/69/26/427886926.db2.gz LDCDHVJLGKFPBL-SSDOTTSWSA-N -1 3 320.274 2.866 20 0 DFADHM COc1nc(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)n[n-]1 ZINC000355862993 427925852 /nfs/dbraw/zinc/92/58/52/427925852.db2.gz LEYIXEBVKXCLCU-JTQLQIEISA-N -1 3 318.377 2.517 20 0 DFADHM COc1nnc(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)[n-]1 ZINC000355862993 427925855 /nfs/dbraw/zinc/92/58/55/427925855.db2.gz LEYIXEBVKXCLCU-JTQLQIEISA-N -1 3 318.377 2.517 20 0 DFADHM COc1n[n-]c(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)n1 ZINC000355862993 427925861 /nfs/dbraw/zinc/92/58/61/427925861.db2.gz LEYIXEBVKXCLCU-JTQLQIEISA-N -1 3 318.377 2.517 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)COc2ccccc2)c([O-])c1 ZINC000340591685 427892404 /nfs/dbraw/zinc/89/24/04/427892404.db2.gz MINQIMZAZNQNCH-UHFFFAOYSA-N -1 3 315.325 2.586 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC000359545233 427903128 /nfs/dbraw/zinc/90/31/28/427903128.db2.gz RAZKGPNYQYHZOW-SNVBAGLBSA-N -1 3 313.300 2.943 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cn1 ZINC000349950032 427903500 /nfs/dbraw/zinc/90/35/00/427903500.db2.gz VFOUNLCZRFGJJC-UHFFFAOYSA-N -1 3 312.778 2.853 20 0 DFADHM O=C([O-])[C@]1(NCc2ccc(F)c(C(F)(F)F)c2)CCSC1 ZINC000340683403 427926409 /nfs/dbraw/zinc/92/64/09/427926409.db2.gz VNEPGIFQEGSNCA-LBPRGKRZSA-N -1 3 323.311 2.894 20 0 DFADHM CCCc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)[nH]n1 ZINC000340635255 427911953 /nfs/dbraw/zinc/91/19/53/427911953.db2.gz CLOMAPVTUVKBIE-UHFFFAOYSA-N -1 3 317.773 2.956 20 0 DFADHM Cc1cc(C(=O)N(C)Cc2cccc3ccccc32)[n-]c(=O)n1 ZINC000340640980 427914036 /nfs/dbraw/zinc/91/40/36/427914036.db2.gz BHOXOZQFTTXXPJ-UHFFFAOYSA-N -1 3 307.353 2.916 20 0 DFADHM CO[C@H](CNC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000349984887 427914286 /nfs/dbraw/zinc/91/42/86/427914286.db2.gz PFYGFSSVXQCGQE-LLVKDONJSA-N -1 3 312.778 2.620 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCC(C)C)cn1C ZINC000340662285 427919321 /nfs/dbraw/zinc/91/93/21/427919321.db2.gz ZHLXBTVUFMWCLB-UONOGXRCSA-N -1 3 313.467 2.612 20 0 DFADHM CC(C)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccccn1 ZINC000340077807 427919389 /nfs/dbraw/zinc/91/93/89/427919389.db2.gz YKIYNMKVWHQNTP-OAHLLOKOSA-N -1 3 322.405 2.766 20 0 DFADHM CCCN(CCC)C(=O)CCCC(=O)Nc1nc(C)ccc1[O-] ZINC000345928571 427956086 /nfs/dbraw/zinc/95/60/86/427956086.db2.gz NXYQXFLPIKCAOA-UHFFFAOYSA-N 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/nfs/dbraw/zinc/97/10/99/427971099.db2.gz KADWWUJBKVMNSY-DTWKUNHWSA-N -1 3 308.794 2.922 20 0 DFADHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])cnn1Cc1ccccc1 ZINC000345975445 427972481 /nfs/dbraw/zinc/97/24/81/427972481.db2.gz GMLZOXHUOORPRL-UHFFFAOYSA-N -1 3 322.368 2.901 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCC[C@H]1OC(F)F ZINC000337597578 427973864 /nfs/dbraw/zinc/97/38/64/427973864.db2.gz LPPFXPVZYYJXDN-VXGBXAGGSA-N -1 3 319.735 2.865 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2nccn3ccnc23)c([O-])c1 ZINC000337603454 427977215 /nfs/dbraw/zinc/97/72/15/427977215.db2.gz BUVMBIWLKBLWDF-UHFFFAOYSA-N -1 3 310.357 2.985 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 ZINC000345997366 427978320 /nfs/dbraw/zinc/97/83/20/427978320.db2.gz TYLSVNDVGYOHSI-ZDUSSCGKSA-N -1 3 304.733 2.691 20 0 DFADHM COc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1OC(F)F ZINC000345999289 427980638 /nfs/dbraw/zinc/98/06/38/427980638.db2.gz VFMPXDMHCQKYOX-UHFFFAOYSA-N -1 3 324.283 2.958 20 0 DFADHM CCOC(=O)c1ccc(F)c(C)c1[N-]C(=O)c1cc(OC)no1 ZINC000345999437 427981095 /nfs/dbraw/zinc/98/10/95/427981095.db2.gz NKQRSPLSZULDDR-UHFFFAOYSA-N -1 3 322.292 2.560 20 0 DFADHM Cc1[nH]nc(C(=O)Nc2cc(Br)ccc2[O-])c1C ZINC000340313298 427983681 /nfs/dbraw/zinc/98/36/81/427983681.db2.gz UDDCDZFVVDUULA-UHFFFAOYSA-N -1 3 310.151 2.747 20 0 DFADHM O=C(Cc1ccncc1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000356019910 427984871 /nfs/dbraw/zinc/98/48/71/427984871.db2.gz JJHPGOWCSOMLFC-UHFFFAOYSA-N -1 3 312.247 2.867 20 0 DFADHM O=S(=O)([N-]Cc1cccc2c1CCCN2)c1ccccc1F ZINC000376729905 427988429 /nfs/dbraw/zinc/98/84/29/427988429.db2.gz QHVQAHOYMZBXEY-UHFFFAOYSA-N -1 3 320.389 2.662 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccnn2-c2ccccc2C)c[n-]1 ZINC000340337734 427989736 /nfs/dbraw/zinc/98/97/36/427989736.db2.gz NITVAKPZWDAUBJ-UHFFFAOYSA-N -1 3 324.340 2.548 20 0 DFADHM CC1CCC(NCc2ccn(-c3ccccc3)n2)(C(=O)[O-])CC1 ZINC000340690319 427928090 /nfs/dbraw/zinc/92/80/90/427928090.db2.gz KXXJABMLCITXBD-UHFFFAOYSA-N -1 3 313.401 2.995 20 0 DFADHM [O-]c1cncc(C=Cc2nc(-c3nccc4[nH]ccc43)no2)c1 ZINC000340688367 427928263 /nfs/dbraw/zinc/92/82/63/427928263.db2.gz FCGBIKAICVFRJP-OWOJBTEDSA-N -1 3 305.297 2.884 20 0 DFADHM CCN(Cc1ccncc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000340118863 427931989 /nfs/dbraw/zinc/93/19/89/427931989.db2.gz UFTIAJAKSINUTR-UHFFFAOYSA-N -1 3 307.353 2.585 20 0 DFADHM CCOc1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)ccc1C ZINC000340728476 427934625 /nfs/dbraw/zinc/93/46/25/427934625.db2.gz ALBQCLDLACUDSN-CQSZACIVSA-N -1 3 313.419 2.705 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccc(CO)c1 ZINC000345901761 427942916 /nfs/dbraw/zinc/94/29/16/427942916.db2.gz OTLSRMBZALROPL-UHFFFAOYSA-N -1 3 317.360 2.663 20 0 DFADHM C[C@@H]1N(C(=O)CCCc2ccc([O-])c(F)c2)CCOC1(C)C ZINC000345902951 427945263 /nfs/dbraw/zinc/94/52/63/427945263.db2.gz ALOFKMOGYCCSSC-LBPRGKRZSA-N -1 3 309.381 2.880 20 0 DFADHM [O-]c1ccc(-c2noc(-c3cccc(-n4ccnn4)c3)n2)cc1 ZINC000350563777 427946493 /nfs/dbraw/zinc/94/64/93/427946493.db2.gz BLPXVJRUVAWLFD-UHFFFAOYSA-N -1 3 305.297 2.690 20 0 DFADHM COc1cc(-c2noc([C@H]3CCC(=O)[C@H](C)C3)n2)ccc1[O-] ZINC000350575216 427947468 /nfs/dbraw/zinc/94/74/68/427947468.db2.gz IEJVSNMFSRRHSC-KOLCDFICSA-N -1 3 302.330 2.924 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000359638764 427947716 /nfs/dbraw/zinc/94/77/16/427947716.db2.gz MAAZUFCIPQYRGU-LBPRGKRZSA-N -1 3 312.435 2.566 20 0 DFADHM Cc1cccc(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)c1[O-] ZINC000350580215 427949880 /nfs/dbraw/zinc/94/98/80/427949880.db2.gz MKXDYRMXUOBRLH-STQMWFEESA-N -1 3 312.373 2.606 20 0 DFADHM CCc1cccc(-c2nc([C@H]3CN(C(C)C)CCO3)no2)c1[O-] ZINC000350578506 427950960 /nfs/dbraw/zinc/95/09/60/427950960.db2.gz WRGYGGSHAKLMKN-CQSZACIVSA-N -1 3 317.389 2.786 20 0 DFADHM O=C1C[C@H](c2nc(-c3ccc([O-])c4ccccc34)no2)CCN1 ZINC000350580916 427951330 /nfs/dbraw/zinc/95/13/30/427951330.db2.gz LJJAUKVITQRJJY-SNVBAGLBSA-N -1 3 309.325 2.589 20 0 DFADHM Cc1ccc([O-])c(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)c1 ZINC000350585729 427951516 /nfs/dbraw/zinc/95/15/16/427951516.db2.gz UIUAHTARRCQLRC-BETUJISGSA-N -1 3 312.373 2.606 20 0 DFADHM O=c1ccccn1Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000350587827 427951739 /nfs/dbraw/zinc/95/17/39/427951739.db2.gz TWVMBVHGBSBDMN-UHFFFAOYSA-N -1 3 319.320 2.805 20 0 DFADHM CCN(C(=O)NCc1nnc(C(F)(F)F)[n-]1)C1CC(C)(C)C1 ZINC000413461159 428054106 /nfs/dbraw/zinc/05/41/06/428054106.db2.gz PUOIDMSACMYGKM-UHFFFAOYSA-N -1 3 319.331 2.544 20 0 DFADHM CCN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)C1CC(C)(C)C1 ZINC000413461159 428054109 /nfs/dbraw/zinc/05/41/09/428054109.db2.gz PUOIDMSACMYGKM-UHFFFAOYSA-N -1 3 319.331 2.544 20 0 DFADHM CCN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)C1CC(C)(C)C1 ZINC000413461159 428054113 /nfs/dbraw/zinc/05/41/13/428054113.db2.gz PUOIDMSACMYGKM-UHFFFAOYSA-N -1 3 319.331 2.544 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2CC(C(C)(C)C)C2)c1 ZINC000356044378 427998113 /nfs/dbraw/zinc/99/81/13/427998113.db2.gz VOIDTMSIDBEYPZ-UHFFFAOYSA-N -1 3 304.390 2.905 20 0 DFADHM CCn1cnnc1[N-]C(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000356057164 428003721 /nfs/dbraw/zinc/00/37/21/428003721.db2.gz HJOGSLKNSPYGQZ-GFCCVEGCSA-N -1 3 310.357 2.857 20 0 DFADHM CCOc1nc2ccc(-c3nc([C@@H]4CCOC4)no3)cc2[n-]1 ZINC000351059816 428005554 /nfs/dbraw/zinc/00/55/54/428005554.db2.gz VQAUXYKSLKHUJR-SNVBAGLBSA-N -1 3 300.318 2.516 20 0 DFADHM CCn1cnnc1[N-]C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000356059302 428006051 /nfs/dbraw/zinc/00/60/51/428006051.db2.gz IWLFMLDLZPASNY-UHFFFAOYSA-N -1 3 303.347 2.575 20 0 DFADHM CCn1cnnc1NC(=O)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000356073559 428012396 /nfs/dbraw/zinc/01/23/96/428012396.db2.gz XKUZJGBEJWEXJF-UHFFFAOYSA-N -1 3 316.752 2.594 20 0 DFADHM CCn1cnnc1NC(=O)c1cn[n-]c1-c1ccc(Cl)cc1 ZINC000356073559 428012399 /nfs/dbraw/zinc/01/23/99/428012399.db2.gz XKUZJGBEJWEXJF-UHFFFAOYSA-N -1 3 316.752 2.594 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000359772336 428013463 /nfs/dbraw/zinc/01/34/63/428013463.db2.gz FORGRTGENPGKKM-SNVBAGLBSA-N -1 3 319.405 2.593 20 0 DFADHM CCOc1nc2cc(C(=O)N(C)Cc3ccccn3)ccc2[n-]1 ZINC000346205203 428068136 /nfs/dbraw/zinc/06/81/36/428068136.db2.gz APIDHYGOSBWMPU-UHFFFAOYSA-N -1 3 310.357 2.629 20 0 DFADHM CCOc1nc2ccc(C(=O)N(C)Cc3ccccn3)cc2[n-]1 ZINC000346205203 428068140 /nfs/dbraw/zinc/06/81/40/428068140.db2.gz APIDHYGOSBWMPU-UHFFFAOYSA-N -1 3 310.357 2.629 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@H](c3ccncn3)C2)c([O-])c1 ZINC000377207175 428083576 /nfs/dbraw/zinc/08/35/76/428083576.db2.gz CEDOZXVMTPNCET-CQSZACIVSA-N -1 3 311.385 2.764 20 0 DFADHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000359937066 428086063 /nfs/dbraw/zinc/08/60/63/428086063.db2.gz ICYXOXBPOHRTOM-VHSXEESVSA-N -1 3 322.352 2.815 20 0 DFADHM CCN1C[C@H](c2noc(-c3ccc(C(C)C)cc3[O-])n2)CC1=O ZINC000351426474 428088835 /nfs/dbraw/zinc/08/88/35/428088835.db2.gz HNXPMIXTSXZKOF-GFCCVEGCSA-N -1 3 315.373 2.901 20 0 DFADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000377310816 428103072 /nfs/dbraw/zinc/10/30/72/428103072.db2.gz OCPOXBVWULGINU-ZUZCIYMTSA-N -1 3 307.346 2.626 20 0 DFADHM Cc1noc(C2(C)CCN(C(=O)c3cc(C)ccc3[O-])CC2)n1 ZINC000369997924 428105343 /nfs/dbraw/zinc/10/53/43/428105343.db2.gz NLHWZHIPFIGNBE-UHFFFAOYSA-N -1 3 315.373 2.586 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc([C@@H]2CCOC2)c1 ZINC000341570633 428111025 /nfs/dbraw/zinc/11/10/25/428111025.db2.gz QCMMQVYDPGEDQS-CYBMUJFWSA-N -1 3 324.340 2.821 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc([C@@H]2CCOC2)c1 ZINC000341570633 428111031 /nfs/dbraw/zinc/11/10/31/428111031.db2.gz QCMMQVYDPGEDQS-CYBMUJFWSA-N -1 3 324.340 2.821 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc([C@@H]2CCOC2)c1 ZINC000341570633 428111036 /nfs/dbraw/zinc/11/10/36/428111036.db2.gz QCMMQVYDPGEDQS-CYBMUJFWSA-N -1 3 324.340 2.821 20 0 DFADHM CCC[C@H]1C[C@H]1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000360003991 428113050 /nfs/dbraw/zinc/11/30/50/428113050.db2.gz WFSMHOSPEQHKBB-GXSJLCMTSA-N -1 3 314.382 2.572 20 0 DFADHM CC[C@@H]1CCCN1C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000341579768 428115400 /nfs/dbraw/zinc/11/54/00/428115400.db2.gz ADJJFPHFRNZTCX-GFCCVEGCSA-N -1 3 302.349 2.990 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](Oc3ccc(F)cc3)C2)n1 ZINC000370034195 428115726 /nfs/dbraw/zinc/11/57/26/428115726.db2.gz XEUXSYQBXNZORJ-DOMZBBRYSA-N -1 3 317.364 2.844 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](c2cnn(C)c2)c2ccccc2)n1 ZINC000370034163 428116240 /nfs/dbraw/zinc/11/62/40/428116240.db2.gz WYSXJZBNUSMICN-DYVFJYSZSA-N -1 3 323.400 2.664 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3Cc4ccccc4C3)c(=O)c2c1 ZINC000341584756 428116491 /nfs/dbraw/zinc/11/64/91/428116491.db2.gz FPOCTJGLXNZUNW-UHFFFAOYSA-N -1 3 304.349 2.993 20 0 DFADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000377390240 428117902 /nfs/dbraw/zinc/11/79/02/428117902.db2.gz PAARYPUVNLBASJ-ZUZCIYMTSA-N -1 3 307.346 2.626 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC([C@H]3CCCOC3)CC2)n1 ZINC000370040638 428118788 /nfs/dbraw/zinc/11/87/88/428118788.db2.gz LOIIYUXSBJTUOB-ZFWWWQNUSA-N -1 3 305.422 2.690 20 0 DFADHM CC(=O)Nc1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)nc1 ZINC000360032674 428125553 /nfs/dbraw/zinc/12/55/53/428125553.db2.gz XBRHHULKNCMOHI-UHFFFAOYSA-N -1 3 309.247 2.710 20 0 DFADHM CCOc1cc(-c2noc([C@H](C)c3ccnn3C)n2)ccc1[O-] ZINC000351323695 428066476 /nfs/dbraw/zinc/06/64/76/428066476.db2.gz IKCRXBUMYDALJL-SNVBAGLBSA-N -1 3 314.345 2.726 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1(CO)CCCC1 ZINC000346335940 428133346 /nfs/dbraw/zinc/13/33/46/428133346.db2.gz PTPMYOUYPWKOAN-UHFFFAOYSA-N -1 3 309.381 2.523 20 0 DFADHM [O-]C(=NOC[C@@H]1CCOC1)N1CC2(CCC2)c2ccccc21 ZINC000370101880 428134726 /nfs/dbraw/zinc/13/47/26/428134726.db2.gz MCVIMIZLNKNBFL-CYBMUJFWSA-N -1 3 302.374 2.606 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)N1CC2(CCC2)c2ccccc21 ZINC000370101880 428134731 /nfs/dbraw/zinc/13/47/31/428134731.db2.gz MCVIMIZLNKNBFL-CYBMUJFWSA-N -1 3 302.374 2.606 20 0 DFADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ncccc1Cl ZINC000341642884 428136298 /nfs/dbraw/zinc/13/62/98/428136298.db2.gz PPQJOGYEMOGOQS-UHFFFAOYSA-N -1 3 308.672 2.858 20 0 DFADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])nnn1-c1ccccc1 ZINC000352652540 428185126 /nfs/dbraw/zinc/18/51/26/428185126.db2.gz LXAKYAHUMTUEES-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM COCC1(C[N-]S(=O)(=O)c2ccccc2F)CCCCC1 ZINC000352592439 428161127 /nfs/dbraw/zinc/16/11/27/428161127.db2.gz DZHRCILSDVUIDW-UHFFFAOYSA-N -1 3 315.410 2.701 20 0 DFADHM C[C@@H]1CC[S@@](=O)CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356408930 428166787 /nfs/dbraw/zinc/16/67/87/428166787.db2.gz SRQRCIVRVJTKAH-LADRHHBVSA-N -1 3 321.364 2.754 20 0 DFADHM CNC(=O)c1ccc(C)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000352609241 428168490 /nfs/dbraw/zinc/16/84/90/428168490.db2.gz FTNAPPRTSNYBCV-UHFFFAOYSA-N -1 3 318.760 2.966 20 0 DFADHM O=C([N-]OCC(F)(F)F)C1CC(OCc2ccccc2)C1 ZINC000370268116 428171945 /nfs/dbraw/zinc/17/19/45/428171945.db2.gz VXNXUOJKJVEFNM-UHFFFAOYSA-N -1 3 303.280 2.592 20 0 DFADHM Cn1cccc1C(=O)C(=O)Nc1cccc(C(C)(C)C)c1[O-] ZINC000356436935 428178056 /nfs/dbraw/zinc/17/80/56/428178056.db2.gz VHMNFCHVQHPNDJ-UHFFFAOYSA-N -1 3 300.358 2.850 20 0 DFADHM O=[S@](Cc1csc(-c2ncccn2)n1)c1ccc([O-])cc1 ZINC000341746166 428178521 /nfs/dbraw/zinc/17/85/21/428178521.db2.gz SMAOWDJTBIVMDP-OAQYLSRUSA-N -1 3 317.395 2.614 20 0 DFADHM C[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)CC(F)(F)F ZINC000413981599 428180636 /nfs/dbraw/zinc/18/06/36/428180636.db2.gz KDMKSRZCQIVWTH-SECBINFHSA-N -1 3 312.291 2.846 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(C)C)C(F)(F)F)c1 ZINC000413994575 428181517 /nfs/dbraw/zinc/18/15/17/428181517.db2.gz HQJKEYYQVJTSMR-LBPRGKRZSA-N -1 3 318.295 2.667 20 0 DFADHM CN(C(=O)CNCc1c(F)ccc([O-])c1F)C1CCCCC1 ZINC000352649819 428182360 /nfs/dbraw/zinc/18/23/60/428182360.db2.gz PDTATTHGTKGTIU-UHFFFAOYSA-N -1 3 312.360 2.551 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@]2(CCCCO2)C1 ZINC000370470701 428217459 /nfs/dbraw/zinc/21/74/59/428217459.db2.gz SDWOQAGCGBIWRU-QGZVFWFLSA-N -1 3 322.380 2.776 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C2CCC(C)CC2)c(F)c1 ZINC000360249611 428222036 /nfs/dbraw/zinc/22/20/36/428222036.db2.gz MMZRLXSSAZFMRE-UHFFFAOYSA-N -1 3 301.383 2.691 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H]1c1cc[nH]n1 ZINC000377793258 428231834 /nfs/dbraw/zinc/23/18/34/428231834.db2.gz HIVATZCHMVVVDM-CQSZACIVSA-N -1 3 305.765 2.675 20 0 DFADHM C[C@@H](c1cccs1)N(C)C(=O)c1c[n-]c2ccncc2c1=O ZINC000341871859 428236607 /nfs/dbraw/zinc/23/66/07/428236607.db2.gz DYFRSWVQNDIZRC-JTQLQIEISA-N -1 3 313.382 2.818 20 0 DFADHM COc1nc(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000352677143 428198749 /nfs/dbraw/zinc/19/87/49/428198749.db2.gz BQZYDXUHDHUTHA-LURJTMIESA-N -1 3 315.160 2.862 20 0 DFADHM COc1nnc(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000352677143 428198757 /nfs/dbraw/zinc/19/87/57/428198757.db2.gz BQZYDXUHDHUTHA-LURJTMIESA-N -1 3 315.160 2.862 20 0 DFADHM COc1n[n-]c(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000352677143 428198762 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429219299 /nfs/dbraw/zinc/21/92/99/429219299.db2.gz BTRVMMIXZDSBQS-OPRDCNLKSA-N -1 3 321.851 2.556 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)sc1Cl ZINC000364524788 429219705 /nfs/dbraw/zinc/21/97/05/429219705.db2.gz BTRVMMIXZDSBQS-BBBLOLIVSA-N -1 3 321.851 2.556 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc2cccnc21 ZINC000364550667 429223021 /nfs/dbraw/zinc/22/30/21/429223021.db2.gz OIAIQNVISQRFAP-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc2cccnc21 ZINC000364550667 429223023 /nfs/dbraw/zinc/22/30/23/429223023.db2.gz OIAIQNVISQRFAP-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C([N-]CCCSC[C@H]1Cc2ccccc2O1)C(F)(F)F ZINC000364578159 429227951 /nfs/dbraw/zinc/22/79/51/429227951.db2.gz KGMWTTJRLPEHTF-LLVKDONJSA-N -1 3 319.348 2.792 20 0 DFADHM COc1ccc(C(=O)NCc2ncoc2-c2ccccc2)c([O-])c1 ZINC000364409828 429199314 /nfs/dbraw/zinc/19/93/14/429199314.db2.gz SAHRNFDASOXUOE-UHFFFAOYSA-N -1 3 324.336 2.986 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2ccn(CCC(C)C)n2)c1[O-] ZINC000436595638 429200162 /nfs/dbraw/zinc/20/01/62/429200162.db2.gz NCRLDICOEIPXPW-UHFFFAOYSA-N -1 3 317.389 3.204 20 0 DFADHM CC[C@@H](C)n1nc(NC(=O)c2cccc(OC)c2[O-])cc1C ZINC000436691637 429202745 /nfs/dbraw/zinc/20/27/45/429202745.db2.gz VCBUIIRSEHIBEP-SNVBAGLBSA-N -1 3 303.362 3.129 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2ccn(CCC(F)(F)F)n2)c1 ZINC000425097313 429233348 /nfs/dbraw/zinc/23/33/48/429233348.db2.gz UZASGPRSLCFBSQ-UHFFFAOYSA-N -1 3 313.279 3.102 20 0 DFADHM O=C(COCC1CC1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442822835 429237216 /nfs/dbraw/zinc/23/72/16/429237216.db2.gz QCDXISYOWNVUPX-UHFFFAOYSA-N -1 3 305.252 2.656 20 0 DFADHM CC(C)[C@@H](O)CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442816404 429237275 /nfs/dbraw/zinc/23/72/75/429237275.db2.gz XVKRYLGFRHRTJQ-JTQLQIEISA-N -1 3 307.268 2.636 20 0 DFADHM CC1(C)CCC[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000442811579 429237484 /nfs/dbraw/zinc/23/74/84/429237484.db2.gz PGTUFPNUFVVDMB-AWEZNQCLSA-N -1 3 324.446 2.757 20 0 DFADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1ccco1 ZINC000364634287 429238956 /nfs/dbraw/zinc/23/89/56/429238956.db2.gz KUHKVYWHGJXITM-MRXNPFEDSA-N -1 3 314.366 2.743 20 0 DFADHM CO[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C(C)C ZINC000442930323 429240475 /nfs/dbraw/zinc/24/04/75/429240475.db2.gz HVBYRPMDFVRTAN-NSHDSACASA-N -1 3 307.268 2.900 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c([O-])c1C ZINC000456130033 429246384 /nfs/dbraw/zinc/24/63/84/429246384.db2.gz PSZYKGFDKUKWJF-NUEKZKHPSA-N -1 3 303.402 2.775 20 0 DFADHM O=C(NC[C@@H]1CCCC1(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000456160922 429251472 /nfs/dbraw/zinc/25/14/72/429251472.db2.gz VQQHWWJEFLSEOC-JTQLQIEISA-N -1 3 306.312 2.693 20 0 DFADHM O=C(NC[C@H]1CCCC1(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000456160924 429251536 /nfs/dbraw/zinc/25/15/36/429251536.db2.gz VQQHWWJEFLSEOC-SNVBAGLBSA-N -1 3 306.312 2.693 20 0 DFADHM O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000489612904 429255557 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CCCCOc1ccc(C(=O)N2CCOCC[C@@H]2C)c([O-])c1 ZINC000364968884 429272043 /nfs/dbraw/zinc/27/20/43/429272043.db2.gz DIORGZCUKXKJFG-ZDUSSCGKSA-N -1 3 307.390 2.822 20 0 DFADHM COC(=O)c1ccc(NC(=O)c2ccc([O-])c(C)c2)c(OC)c1 ZINC000444384117 429272218 /nfs/dbraw/zinc/27/22/18/429272218.db2.gz QUIUEUTZXFCLRM-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM CC1(C)C[C@H](O)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000456529523 429318401 /nfs/dbraw/zinc/31/84/01/429318401.db2.gz BCPOCFHPVBZLLW-CQSZACIVSA-N -1 3 323.408 2.864 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc(C)nc3)C2)c([O-])c1 ZINC000365518278 429332974 /nfs/dbraw/zinc/33/29/74/429332974.db2.gz PLVAWKRWYVXKFH-OAHLLOKOSA-N -1 3 312.369 2.698 20 0 DFADHM CC[C@@H](O)[C@H](CC)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000456663909 429336252 /nfs/dbraw/zinc/33/62/52/429336252.db2.gz LFGOQOIDCCZSQF-NWDGAFQWSA-N -1 3 305.296 2.690 20 0 DFADHM Cc1ccc([O-])c(CN2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000505902692 429344715 /nfs/dbraw/zinc/34/47/15/429344715.db2.gz JIUHTFMWVUYNCW-VMPITWQZSA-N -1 3 323.440 2.927 20 0 DFADHM COc1ccc(C2(C[N-]S(=O)(=O)c3ccco3)CCC2)cc1 ZINC000445734543 429290853 /nfs/dbraw/zinc/29/08/53/429290853.db2.gz RUCKGGKXIZLIOL-UHFFFAOYSA-N -1 3 321.398 2.688 20 0 DFADHM CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)[N-]OC2CCC2)C1 ZINC000496088473 429306240 /nfs/dbraw/zinc/30/62/40/429306240.db2.gz RUQFMHNHBHZUBK-GFCCVEGCSA-N -1 3 312.410 2.624 20 0 DFADHM Cc1ccc([O-])c(C(=O)NC[C@H]2CC(=O)Nc3ccccc32)c1 ZINC000365901927 429399305 /nfs/dbraw/zinc/39/93/05/429399305.db2.gz QASZCQIDXLYWLY-GFCCVEGCSA-N -1 3 310.353 2.556 20 0 DFADHM Cn1c(CNCC2(CC(=O)[O-])CCC2)nc2cc(Cl)ccc21 ZINC000426647487 429406242 /nfs/dbraw/zinc/40/62/42/429406242.db2.gz PGCZTPATPPOPFY-UHFFFAOYSA-N -1 3 321.808 2.961 20 0 DFADHM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1cccc(Cl)c1F ZINC000426646664 429406508 /nfs/dbraw/zinc/40/65/08/429406508.db2.gz MKRFUDUJKRUVBY-CQSZACIVSA-N -1 3 323.751 2.970 20 0 DFADHM O=C([O-])[C@H](Cc1ccc(O)cc1)NCc1cccc(Cl)c1F ZINC000426646663 429407073 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O=C([O-])[C@@H](Cc1ccccc1)NCc1cc(F)c(F)c(F)c1 ZINC000426699251 429410551 /nfs/dbraw/zinc/41/05/51/429410551.db2.gz HFFDLYLGXMRPRA-CQSZACIVSA-N -1 3 309.287 2.889 20 0 DFADHM Cc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000365837862 429383166 /nfs/dbraw/zinc/38/31/66/429383166.db2.gz JPYBMNNQIZJVQI-UHFFFAOYSA-N -1 3 313.386 2.808 20 0 DFADHM Cc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000365837862 429383173 /nfs/dbraw/zinc/38/31/73/429383173.db2.gz JPYBMNNQIZJVQI-UHFFFAOYSA-N -1 3 313.386 2.808 20 0 DFADHM COc1ccc(C(=O)NCC2(c3ncccc3C)CC2)c([O-])c1 ZINC000366064508 429410739 /nfs/dbraw/zinc/41/07/39/429410739.db2.gz VOATVQBRMZNRIE-UHFFFAOYSA-N -1 3 312.369 2.566 20 0 DFADHM CCCc1cc(N2CCC(O)(C(=O)[O-])CC2)c2ccccc2n1 ZINC000517572808 429388989 /nfs/dbraw/zinc/38/89/89/429388989.db2.gz RDOSSNJPPZBNQS-UHFFFAOYSA-N -1 3 314.385 2.603 20 0 DFADHM COC1CCC(C[N-]S(=O)(=O)c2ccc(C)cc2F)CC1 ZINC000427256418 429441984 /nfs/dbraw/zinc/44/19/84/429441984.db2.gz LEYUVNCCBGVDCJ-UHFFFAOYSA-N -1 3 315.410 2.618 20 0 DFADHM Cc1ccc(OCC[N-]S(=O)(=O)c2cccc(C)c2F)cc1 ZINC000519213884 429452124 /nfs/dbraw/zinc/45/21/24/429452124.db2.gz YFIFKOMTMOUZKY-UHFFFAOYSA-N -1 3 323.389 2.800 20 0 DFADHM CC(C)Cc1csc2[n-]c(-c3cc(=O)[nH]cn3)nc(=O)c12 ZINC000519402119 429456759 /nfs/dbraw/zinc/45/67/59/429456759.db2.gz YXKQCSPHZLOHAX-UHFFFAOYSA-N -1 3 302.359 2.758 20 0 DFADHM O=C(/C=C\c1cc2c(c(Cl)c1)OCO2)[N-]OCC(F)(F)F ZINC000492119288 429471144 /nfs/dbraw/zinc/47/11/44/429471144.db2.gz OVRPNSMBFOGVIJ-UPHRSURJSA-N -1 3 323.654 2.692 20 0 DFADHM C[C@@H]1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2[O-])C1 ZINC000519553963 429465305 /nfs/dbraw/zinc/46/53/05/429465305.db2.gz NQXCIFWSEDZSFD-SECBINFHSA-N -1 3 318.295 2.571 20 0 DFADHM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000427695282 429465823 /nfs/dbraw/zinc/46/58/23/429465823.db2.gz LNJBRHDQZNXREW-LBPRGKRZSA-N -1 3 322.364 2.595 20 0 DFADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1cc(Cl)ccc1F ZINC000426748406 429413173 /nfs/dbraw/zinc/41/31/73/429413173.db2.gz 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CCOc1nc2cc(C(=O)N[C@@H]3CCCC[C@@H]3OC)ccc2[n-]1 ZINC000449955400 429545314 /nfs/dbraw/zinc/54/53/14/429545314.db2.gz ZARHLEMZCUIDHU-HIFRSBDPSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3OC)cc2[n-]1 ZINC000449955400 429545318 /nfs/dbraw/zinc/54/53/18/429545318.db2.gz ZARHLEMZCUIDHU-HIFRSBDPSA-N -1 3 317.389 2.649 20 0 DFADHM CC(C)CN(CCC(=O)[O-])Cc1cn2cc(Cl)ccc2n1 ZINC000521257953 429545883 /nfs/dbraw/zinc/54/58/83/429545883.db2.gz SGUJKOUIFPSAFB-UHFFFAOYSA-N -1 3 309.797 2.920 20 0 DFADHM O=C(/C=C\c1c(Cl)cccc1Cl)[N-]O[C@H]1CCOC1 ZINC000492476653 429546759 /nfs/dbraw/zinc/54/67/59/429546759.db2.gz STZALYCFBMSHDO-WBSSQXGSSA-N -1 3 302.157 2.843 20 0 DFADHM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1cccc2nonc21 ZINC000367357035 429630385 /nfs/dbraw/zinc/63/03/85/429630385.db2.gz SOUXSBFZQWTIEH-UHFFFAOYSA-N -1 3 321.296 2.834 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(C)c(F)c1 ZINC000524835998 429639219 /nfs/dbraw/zinc/63/92/19/429639219.db2.gz YEFMFYMBJOMSCG-UHFFFAOYSA-N -1 3 305.309 2.595 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(C)c(F)c1 ZINC000524835998 429639224 /nfs/dbraw/zinc/63/92/24/429639224.db2.gz YEFMFYMBJOMSCG-UHFFFAOYSA-N -1 3 305.309 2.595 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1ccc(Br)s1 ZINC000430007452 429644479 /nfs/dbraw/zinc/64/44/79/429644479.db2.gz RKMWFMWEJDVTSU-JGVFFNPUSA-N -1 3 322.249 2.587 20 0 DFADHM Cn1ccc2c1cccc2C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000525240613 429651253 /nfs/dbraw/zinc/65/12/53/429651253.db2.gz WHVSFCGPNTWFKA-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ccc2c1cccc2C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000525240613 429651256 /nfs/dbraw/zinc/65/12/56/429651256.db2.gz WHVSFCGPNTWFKA-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ccc2c1cccc2C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000525240613 429651258 /nfs/dbraw/zinc/65/12/58/429651258.db2.gz WHVSFCGPNTWFKA-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1n[n-]c(=O)s1 ZINC000367459168 429651496 /nfs/dbraw/zinc/65/14/96/429651496.db2.gz RCTXMFBUQRNYMT-SUNKGSAMSA-N -1 3 305.403 2.594 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCCn2cnc3ccccc32)c1 ZINC000522814270 429595804 /nfs/dbraw/zinc/59/58/04/429595804.db2.gz YBHHHJQQCSVRSO-UHFFFAOYSA-N -1 3 309.369 2.734 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000367213465 429597334 /nfs/dbraw/zinc/59/73/34/429597334.db2.gz NVADAJUQQMVCOS-NSHDSACASA-N -1 3 322.361 2.671 20 0 DFADHM CCOCCO[N-]C(=O)/C=C\c1ccccc1OC(F)(F)F ZINC000492743378 429606045 /nfs/dbraw/zinc/60/60/45/429606045.db2.gz VMHCXUMPBSVHJM-FPLPWBNLSA-N -1 3 319.279 2.683 20 0 DFADHM Cc1cccc(C(=O)N2CCOc3cccc(F)c3C2)c1[O-] ZINC000367299898 429614246 /nfs/dbraw/zinc/61/42/46/429614246.db2.gz QUCLUXGHEAASAI-UHFFFAOYSA-N -1 3 301.317 2.875 20 0 DFADHM Cc1cc(CNCc2cc([O-])cc(F)c2)nc(N2CCCC2)n1 ZINC000430160826 429659117 /nfs/dbraw/zinc/65/91/17/429659117.db2.gz GTZVJAGOBOXLAO-UHFFFAOYSA-N -1 3 316.380 2.520 20 0 DFADHM CON(C(=O)/C=C\c1cncc([O-])c1)[C@@H](C)c1csc(C)n1 ZINC000492984141 429660199 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ZINC000458651289 429671588 /nfs/dbraw/zinc/67/15/88/429671588.db2.gz JJOPTGMRCPLXQO-UHFFFAOYSA-N -1 3 319.331 2.593 20 0 DFADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1CCCCCC1 ZINC000458651289 429671591 /nfs/dbraw/zinc/67/15/91/429671591.db2.gz JJOPTGMRCPLXQO-UHFFFAOYSA-N -1 3 319.331 2.593 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000525772112 429673153 /nfs/dbraw/zinc/67/31/53/429673153.db2.gz JYPBADROTMJVJV-DAXOMENPSA-N -1 3 303.402 2.888 20 0 DFADHM CCCCn1c(=O)[n-]nc1SCc1nnc(C2CC2)s1 ZINC000450712277 429683610 /nfs/dbraw/zinc/68/36/10/429683610.db2.gz VURUSWAOSBEXLM-UHFFFAOYSA-N -1 3 311.436 2.805 20 0 DFADHM O=C(/C=C\[C@H]1CCOC1)Nc1ccc(Br)cc1[O-] ZINC000493062319 429679850 /nfs/dbraw/zinc/67/98/50/429679850.db2.gz PCQKRNZHDZXODW-LVXRCVOFSA-N -1 3 312.163 2.686 20 0 DFADHM CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H](C)C1 ZINC000288491728 276192719 /nfs/dbraw/zinc/19/27/19/276192719.db2.gz PULUSYNUPWYACQ-SNVBAGLBSA-N -1 3 316.323 2.577 20 0 DFADHM 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CCc1ccc([O-])c(C(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000527520194 429756493 /nfs/dbraw/zinc/75/64/93/429756493.db2.gz HTYZDQTVXZRRKU-CYBMUJFWSA-N -1 3 313.353 2.524 20 0 DFADHM CCCN(C)S(=O)(=O)[N-]c1cc(Cl)cnc1OC(C)C ZINC000451093466 429768111 /nfs/dbraw/zinc/76/81/11/429768111.db2.gz FRHRNFAFESPNBP-UHFFFAOYSA-N -1 3 321.830 2.521 20 0 DFADHM CCN(C(=O)/C=C\c1cncc([O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000493464835 429768475 /nfs/dbraw/zinc/76/84/75/429768475.db2.gz WTIYOCUMZYGLJG-GXMNPTEKSA-N -1 3 304.390 2.607 20 0 DFADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)/C=C/c1cncc([O-])c1 ZINC000368023953 429768949 /nfs/dbraw/zinc/76/89/49/429768949.db2.gz MIHITYPSIRFJEZ-FQFIUKJSSA-N -1 3 314.316 2.578 20 0 DFADHM COCC[C@H](C)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451144232 429776485 /nfs/dbraw/zinc/77/64/85/429776485.db2.gz HMEBSAQJKVAYDO-NSHDSACASA-N -1 3 311.378 2.682 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@H](CO)CC(F)F ZINC000451188906 429782872 /nfs/dbraw/zinc/78/28/72/429782872.db2.gz 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C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000368361869 429838040 /nfs/dbraw/zinc/83/80/40/429838040.db2.gz MPUIBHUGJKHERP-BBATYDOGSA-N -1 3 320.348 2.780 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCc2c(F)cccc21 ZINC000451591946 429859392 /nfs/dbraw/zinc/85/93/92/429859392.db2.gz PBBINRMBNSWPKK-AWEZNQCLSA-N -1 3 324.377 2.786 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]CCCC(C)(F)F)c(F)c1 ZINC000451604777 429860546 /nfs/dbraw/zinc/86/05/46/429860546.db2.gz BORDITONYMAYEO-UHFFFAOYSA-N -1 3 311.325 2.548 20 0 DFADHM O=c1[n-]nc(N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1Cl ZINC000528216440 429862947 /nfs/dbraw/zinc/86/29/47/429862947.db2.gz LJSUISHONWYJGT-OXHMUOHRSA-N -1 3 308.168 3.239 20 0 DFADHM CCC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)OC ZINC000451637727 429865522 /nfs/dbraw/zinc/86/55/22/429865522.db2.gz FEYOZHWJZRAMDT-VIFPVBQESA-N -1 3 311.856 2.803 20 0 DFADHM CC(C)n1cc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)cn1 ZINC000451644371 429866206 /nfs/dbraw/zinc/86/62/06/429866206.db2.gz 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C[C@H]1CCN(Cc2c[nH]nc2-c2ccccc2F)C[C@@H]1C(=O)[O-] ZINC000566228118 430250088 /nfs/dbraw/zinc/25/00/88/430250088.db2.gz WBRJLFKWZIMHMP-FZMZJTMJSA-N -1 3 317.364 2.758 20 0 DFADHM C[C@H]1CCCc2ccccc2[C@H]1NCc1cc(C(=O)[O-])nn1C ZINC000635308469 430250676 /nfs/dbraw/zinc/25/06/76/430250676.db2.gz MOIGAHUUDMAEJS-SJCJKPOMSA-N -1 3 313.401 2.922 20 0 DFADHM O=S(=O)(Cc1cccc(F)c1Cl)c1nc2c([n-]1)CCC2 ZINC000581926136 430251105 /nfs/dbraw/zinc/25/11/05/430251105.db2.gz LXZFHAKXDYVNNB-UHFFFAOYSA-N -1 3 314.769 2.665 20 0 DFADHM C[C@H]1CCCc2ccccc2[C@@H]1NCc1cc(C(=O)[O-])nn1C ZINC000635308471 430251529 /nfs/dbraw/zinc/25/15/29/430251529.db2.gz MOIGAHUUDMAEJS-YVEFUNNKSA-N -1 3 313.401 2.922 20 0 DFADHM Cc1ccc(C(=O)NCc2nnc(C3CC3)s2)c([O-])c1C ZINC000581930429 430252399 /nfs/dbraw/zinc/25/23/99/430252399.db2.gz JOINXGGGLULMQF-UHFFFAOYSA-N -1 3 303.387 2.668 20 0 DFADHM CC(C)CCOCCN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000566361638 430252735 /nfs/dbraw/zinc/25/27/35/430252735.db2.gz JMFLWGKGCPUYPV-UHFFFAOYSA-N -1 3 315.360 2.914 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CNC1CC(c2cccc(Cl)c2)C1 ZINC000635313350 430253092 /nfs/dbraw/zinc/25/30/92/430253092.db2.gz KETWPPYXAVMRJJ-UHFFFAOYSA-N -1 3 319.792 2.808 20 0 DFADHM CN(Cc1cc(C(=O)[O-])nn1C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000635313005 430253704 /nfs/dbraw/zinc/25/37/04/430253704.db2.gz RIIWIEXAZYAKSY-AOOOYVTPSA-N -1 3 319.327 2.671 20 0 DFADHM O=C([O-])[C@H]1CCCN(Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000635322377 430254403 /nfs/dbraw/zinc/25/44/03/430254403.db2.gz OAIYHUANHRFBJE-AWEZNQCLSA-N -1 3 313.357 2.566 20 0 DFADHM COC[C@]1(C(=O)[O-])CCN(Cc2c(F)cc(C)cc2Cl)C1 ZINC000635317909 430256064 /nfs/dbraw/zinc/25/60/64/430256064.db2.gz YDPRWEHEFIFDSK-HNNXBMFYSA-N -1 3 315.772 2.711 20 0 DFADHM CN(CCC(=O)Nc1ccc(Cl)cc1[O-])c1ccncc1 ZINC000543715103 430258568 /nfs/dbraw/zinc/25/85/68/430258568.db2.gz YLRQLJRZNWZOOK-UHFFFAOYSA-N -1 3 305.765 2.906 20 0 DFADHM CN(CCC(=O)Nc1cccc(Cl)c1[O-])c1ccncc1 ZINC000543714506 430259507 /nfs/dbraw/zinc/25/95/07/430259507.db2.gz WINVGIAZFFGIBC-UHFFFAOYSA-N -1 3 305.765 2.906 20 0 DFADHM COc1cccc(COCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000543956096 430267664 /nfs/dbraw/zinc/26/76/64/430267664.db2.gz CBXOYVCIKGQKDC-UHFFFAOYSA-N -1 3 305.305 2.695 20 0 DFADHM Cc1ncc2c(n1)CCN(C(=O)c1ccc3c(c1[O-])CCCC3)C2 ZINC000544508188 430285361 /nfs/dbraw/zinc/28/53/61/430285361.db2.gz ACVOTSCUIJHCCC-UHFFFAOYSA-N -1 3 323.396 2.568 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)CC[C@H](C)c1ccccc1 ZINC000566923582 430273894 /nfs/dbraw/zinc/27/38/94/430273894.db2.gz MAQMZRWUCKEION-NSHDSACASA-N -1 3 301.346 2.719 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)CC[C@H](C)c1ccccc1 ZINC000566923582 430273899 /nfs/dbraw/zinc/27/38/99/430273899.db2.gz MAQMZRWUCKEION-NSHDSACASA-N -1 3 301.346 2.719 20 0 DFADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000567229455 430281742 /nfs/dbraw/zinc/28/17/42/430281742.db2.gz QTBFCPFERONEDM-GOEBONIOSA-N -1 3 313.401 2.513 20 0 DFADHM Cc1ccc(CS(=O)(=O)[N-]c2c[nH]nc2C2CC2)cc1F ZINC000565962223 430235389 /nfs/dbraw/zinc/23/53/89/430235389.db2.gz HGMCANMHKDTCKD-UHFFFAOYSA-N -1 3 309.366 2.677 20 0 DFADHM Cc1ncc(CNC(=O)NCC[C@H]2CCCC[C@@H]2C)c(=O)[n-]1 ZINC000543196638 430239921 /nfs/dbraw/zinc/23/99/21/430239921.db2.gz DWMMOTCNJIRIAB-WCQYABFASA-N -1 3 306.410 2.506 20 0 DFADHM Cc1sc(N[C@@H](C)[C@H](c2ccccc2)N(C)C)nc1C(=O)[O-] ZINC000567592110 430285728 /nfs/dbraw/zinc/28/57/28/430285728.db2.gz OALLBNVUZTZWKS-IINYFYTJSA-N -1 3 319.430 3.253 20 0 DFADHM CC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])CC(=O)N1 ZINC000544551636 430286282 /nfs/dbraw/zinc/28/62/82/430286282.db2.gz DIBXBQXISSWYQV-KOLCDFICSA-N -1 3 310.781 2.597 20 0 DFADHM CC(C)(C)c1nc([N-][C@H]2c3sccc3OC(C)(C)[C@@H]2O)no1 ZINC000567863006 430291320 /nfs/dbraw/zinc/29/13/20/430291320.db2.gz PMSPPCOKYFIISE-GXSJLCMTSA-N -1 3 323.418 3.114 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2cnc3onc(C)c3c2)c1[O-] ZINC000582351327 430291900 /nfs/dbraw/zinc/29/19/00/430291900.db2.gz AQWFLHHDOHNVTK-UHFFFAOYSA-N -1 3 311.297 2.692 20 0 DFADHM CCOC(=O)c1oc2ccccc2c1CN(C)C[C@H](C)C(=O)[O-] ZINC000567990049 430301258 /nfs/dbraw/zinc/30/12/58/430301258.db2.gz YSPIHGUSHJJLCM-NSHDSACASA-N -1 3 319.357 2.762 20 0 DFADHM O=C([O-])CN(Cc1ccc(Cl)cc1F)C1CCOCC1 ZINC000567989325 430301430 /nfs/dbraw/zinc/30/14/30/430301430.db2.gz CCYZXZCLLRNBKN-UHFFFAOYSA-N -1 3 301.745 2.545 20 0 DFADHM CO[C@@H](CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1)C1CC1 ZINC000568067450 430312444 /nfs/dbraw/zinc/31/24/44/430312444.db2.gz VMIMKFFWCDVXKN-HNNXBMFYSA-N -1 3 313.344 2.667 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2nc3ccccc3s2)C1 ZINC000568099788 430316294 /nfs/dbraw/zinc/31/62/94/430316294.db2.gz XQTWEJLTZBTFOG-MRXNPFEDSA-N -1 3 320.414 2.610 20 0 DFADHM COc1ccc(C(=O)N2CCC=C(c3cccnc3)C2)c([O-])c1 ZINC000582624689 430317848 /nfs/dbraw/zinc/31/78/48/430317848.db2.gz UYNNHDNKTFXXSY-UHFFFAOYSA-N -1 3 310.353 2.725 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)C[C@@H](C)c1ccccc1C ZINC000568173069 430324638 /nfs/dbraw/zinc/32/46/38/430324638.db2.gz JNRJTTQONRXNDI-LLVKDONJSA-N -1 3 301.346 2.637 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)C[C@@H](C)c1ccccc1C ZINC000568173069 430324642 /nfs/dbraw/zinc/32/46/42/430324642.db2.gz JNRJTTQONRXNDI-LLVKDONJSA-N -1 3 301.346 2.637 20 0 DFADHM O=C(NCC1([C@H]2CCCCO2)CCC1)c1c([O-])cccc1O ZINC000641130127 430337799 /nfs/dbraw/zinc/33/77/99/430337799.db2.gz OOKOOASCCSASSI-CQSZACIVSA-N -1 3 305.374 2.567 20 0 DFADHM O=C(NCC1(Cc2ccccc2)CCC1)c1csc(=O)[n-]1 ZINC000546015467 430341909 /nfs/dbraw/zinc/34/19/09/430341909.db2.gz NVCZFTHONARAEZ-UHFFFAOYSA-N -1 3 302.399 2.992 20 0 DFADHM CC(=O)N1CCc2c1cccc2NC(=O)c1cccc(C)c1[O-] ZINC000546012771 430342494 /nfs/dbraw/zinc/34/24/94/430342494.db2.gz HEUJUNIYTYVHLJ-UHFFFAOYSA-N -1 3 310.353 2.862 20 0 DFADHM CCc1cc(=O)[n-]c(Cn2cc(C3CCCCCC3)nn2)n1 ZINC000641146061 430342755 /nfs/dbraw/zinc/34/27/55/430342755.db2.gz LKRYMCAHXQHRFC-UHFFFAOYSA-N -1 3 301.394 2.822 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)n2cc(-c3ccc4c(c3)CCC4)nn2)n1 ZINC000641147202 430343854 /nfs/dbraw/zinc/34/38/54/430343854.db2.gz YYQFGNPLXKHRDD-LBPRGKRZSA-N -1 3 321.384 2.847 20 0 DFADHM CCN1CCN(c2c(C(=O)[O-])cnc3c(C)c(C)ccc32)CC1 ZINC000582911788 430347010 /nfs/dbraw/zinc/34/70/10/430347010.db2.gz SFTGPYKCEQCBBQ-UHFFFAOYSA-N -1 3 313.401 2.692 20 0 DFADHM C[C@H](CCCC(F)(F)F)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582914350 430347505 /nfs/dbraw/zinc/34/75/05/430347505.db2.gz FOQYNMBMJAZPQA-MRVPVSSYSA-N -1 3 317.311 2.911 20 0 DFADHM CCCCN(CC(F)(F)F)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583639834 430415259 /nfs/dbraw/zinc/41/52/59/430415259.db2.gz SPZPKEWQCCZKBV-UHFFFAOYSA-N -1 3 317.311 2.864 20 0 DFADHM COc1cc(C(=O)Nc2ccc(SC)nc2)cc(OC)c1[O-] ZINC000546583218 430357223 /nfs/dbraw/zinc/35/72/23/430357223.db2.gz JGFOLRRYDFSKPQ-UHFFFAOYSA-N -1 3 320.370 2.779 20 0 DFADHM CCc1cccc(C(=O)N2CCN[C@H](c3ccccc3)C2)c1[O-] ZINC000583128111 430366323 /nfs/dbraw/zinc/36/63/23/430366323.db2.gz VAEKPWJDLQERHN-KRWDZBQOSA-N -1 3 310.397 2.741 20 0 DFADHM C[C@H](CN(Cc1cn2cc(Cl)ccc2n1)C1CC1)C(=O)[O-] ZINC000568523210 430367159 /nfs/dbraw/zinc/36/71/59/430367159.db2.gz WLQUXKAHVVIGCI-SNVBAGLBSA-N -1 3 307.781 2.673 20 0 DFADHM COc1ccc2ncc(C(=O)[O-])c(N(C)CC(C)(C)OC)c2c1 ZINC000568515111 430367316 /nfs/dbraw/zinc/36/73/16/430367316.db2.gz FIFLZOXVEDGUBM-UHFFFAOYSA-N -1 3 318.373 2.803 20 0 DFADHM Oc1[n-]c(SCc2ccc3ncccc3c2)nc2nncc1-2 ZINC000546726761 430368468 /nfs/dbraw/zinc/36/84/68/430368468.db2.gz PCTUWDZKSLGGBE-UHFFFAOYSA-N -1 3 309.354 2.899 20 0 DFADHM CC1(C)[C@H](CS(=O)(=O)[N-]Cc2ccc(Cl)o2)C1(F)F ZINC000641258031 430370279 /nfs/dbraw/zinc/37/02/79/430370279.db2.gz MIMXAFCHHDWZRM-QMMMGPOBSA-N -1 3 313.753 2.644 20 0 DFADHM CC1(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)CCC1 ZINC000641277985 430374307 /nfs/dbraw/zinc/37/43/07/430374307.db2.gz ZMAQKFVECJWITM-UHFFFAOYSA-N -1 3 320.414 2.951 20 0 DFADHM C[C@]1(CS(=O)(=O)[N-]Cc2cc3ccccc3o2)CC1(F)F ZINC000641279160 430374553 /nfs/dbraw/zinc/37/45/53/430374553.db2.gz NVFMAOHIHWVHNP-CYBMUJFWSA-N -1 3 315.341 2.898 20 0 DFADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)C[C@@]2(C)CC2(F)F)n1 ZINC000641537955 430417600 /nfs/dbraw/zinc/41/76/00/430417600.db2.gz IMRQGVHSKGUVSN-LDYMZIIASA-N -1 3 324.418 2.731 20 0 DFADHM CC(C)(C)N1CCCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000547275066 430382473 /nfs/dbraw/zinc/38/24/73/430382473.db2.gz LJKHLMQCJAFDJD-UHFFFAOYSA-N -1 3 312.360 2.617 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)c1nc(C)cs1 ZINC000641317986 430382701 /nfs/dbraw/zinc/38/27/01/430382701.db2.gz DNYVSYGSBYJILW-KOLCDFICSA-N -1 3 324.418 2.867 20 0 DFADHM Cc1cc(NC(=O)Cc2ccc([O-])c(F)c2)nn1[C@H](C)C1CC1 ZINC000583303464 430383096 /nfs/dbraw/zinc/38/30/96/430383096.db2.gz GWCAIPRXDAZOKH-LLVKDONJSA-N -1 3 317.364 3.188 20 0 DFADHM COc1cc2c(cc1CNC[C@H](CC(C)C)C(=O)[O-])O[C@H](C)C2 ZINC000583311721 430384973 /nfs/dbraw/zinc/38/49/73/430384973.db2.gz IIMNHSYBZTXYHE-DOMZBBRYSA-N -1 3 321.417 2.855 20 0 DFADHM CC[C@@](C)([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)c1nccs1 ZINC000641346254 430387504 /nfs/dbraw/zinc/38/75/04/430387504.db2.gz HBCBGBAPRSZOOZ-WDEREUQCSA-N -1 3 324.418 2.733 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)s1 ZINC000641374140 430390810 /nfs/dbraw/zinc/39/08/10/430390810.db2.gz ZCXLOWGBCOSVDC-RKDXNWHRSA-N -1 3 324.418 2.723 20 0 DFADHM CN(C[C@@H]1CCCN1C)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000583450250 430398042 /nfs/dbraw/zinc/39/80/42/430398042.db2.gz JTQPZFYPVBAETN-JTQLQIEISA-N -1 3 316.323 2.577 20 0 DFADHM [O-]c1ccc(CNc2cc(C3CC3)ncn2)cc1Br ZINC000641445410 430401575 /nfs/dbraw/zinc/40/15/75/430401575.db2.gz PDOFSDCZPSEODK-UHFFFAOYSA-N -1 3 320.190 3.434 20 0 DFADHM CC(C)=CCC[C@@H](C)CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000569225875 430434035 /nfs/dbraw/zinc/43/40/35/430434035.db2.gz PDDADFXRWLONGY-CYBMUJFWSA-N -1 3 315.421 3.521 20 0 DFADHM CC(C)=CCC[C@@H](C)CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000569225875 430434038 /nfs/dbraw/zinc/43/40/38/430434038.db2.gz PDDADFXRWLONGY-CYBMUJFWSA-N -1 3 315.421 3.521 20 0 DFADHM CCn1cc(N(CC(C)C)C(=O)c2cccc(OC)c2[O-])cn1 ZINC000636004772 430436341 /nfs/dbraw/zinc/43/63/41/430436341.db2.gz BLDNYRAIWIBHGA-UHFFFAOYSA-N -1 3 317.389 2.920 20 0 DFADHM COCC1(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)CC1 ZINC000641682126 430441133 /nfs/dbraw/zinc/44/11/33/430441133.db2.gz AMYFENYIXXJYLK-UHFFFAOYSA-N -1 3 317.382 2.534 20 0 DFADHM O=c1cc(CNc2nc3cccc(F)c3o2)nc(C2CCC2)[n-]1 ZINC000641682408 430442361 /nfs/dbraw/zinc/44/23/61/430442361.db2.gz ZNCZFODZPJZDBM-UHFFFAOYSA-N -1 3 314.320 3.342 20 0 DFADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)C2(COC)CC2)c1 ZINC000641688215 430442866 /nfs/dbraw/zinc/44/28/66/430442866.db2.gz INZNZTFIJIJWJN-UHFFFAOYSA-N -1 3 319.810 2.659 20 0 DFADHM CSc1ccc(S(=O)(=O)[N-][C@@H](C)C(F)F)cc1Cl ZINC000641702787 430445946 /nfs/dbraw/zinc/44/59/46/430445946.db2.gz WBUYMBZGTGWWAU-LURJTMIESA-N -1 3 315.794 2.994 20 0 DFADHM CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](CC(C)C)C(=O)[O-] ZINC000569347668 430446265 /nfs/dbraw/zinc/44/62/65/430446265.db2.gz LTYMFRMVLKPHBP-AWEZNQCLSA-N -1 3 317.389 2.657 20 0 DFADHM CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](CC(C)C)C(=O)[O-] ZINC000569347669 430446417 /nfs/dbraw/zinc/44/64/17/430446417.db2.gz LTYMFRMVLKPHBP-CQSZACIVSA-N -1 3 317.389 2.657 20 0 DFADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)[C@H]1CCC(=O)C1 ZINC000583997101 430450098 /nfs/dbraw/zinc/45/00/98/430450098.db2.gz UCFHNBAPZNGELQ-JTQLQIEISA-N -1 3 310.313 2.526 20 0 DFADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)[C@H]1CCC(=O)C1 ZINC000583997101 430450102 /nfs/dbraw/zinc/45/01/02/430450102.db2.gz UCFHNBAPZNGELQ-JTQLQIEISA-N -1 3 310.313 2.526 20 0 DFADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H]1CCC(=O)C1 ZINC000583997101 430450106 /nfs/dbraw/zinc/45/01/06/430450106.db2.gz UCFHNBAPZNGELQ-JTQLQIEISA-N -1 3 310.313 2.526 20 0 DFADHM FC(F)(F)C12CCC(N=c3ncnc4[nH][n-]cc3-4)(CC1)CC2 ZINC000584032959 430451659 /nfs/dbraw/zinc/45/16/59/430451659.db2.gz GWCGGZWVSPNTCW-UHFFFAOYSA-N -1 3 311.311 2.794 20 0 DFADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccsc1 ZINC000569447048 430453389 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322.368 2.861 20 0 DFADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc2ccccc2[nH]1 ZINC000636318559 430513442 /nfs/dbraw/zinc/51/34/42/430513442.db2.gz YHPTXJNQLYPHAW-UHFFFAOYSA-N -1 3 322.368 2.861 20 0 DFADHM CC(C)OC1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000636323534 430514946 /nfs/dbraw/zinc/51/49/46/430514946.db2.gz KDRYXTDRBHYXDL-UHFFFAOYSA-N -1 3 303.280 2.660 20 0 DFADHM O=C(COc1ccc2c([O-])coc2c1)Nc1c(F)cccc1F ZINC000642608538 430520175 /nfs/dbraw/zinc/52/01/75/430520175.db2.gz FWAHJWLNNKWQKS-UHFFFAOYSA-N -1 3 319.263 2.557 20 0 DFADHM CCN(C(=O)COc1ccc2c([O-])coc2c1)c1ccccc1 ZINC000642608560 430520184 /nfs/dbraw/zinc/52/01/84/430520184.db2.gz HGFPATVOEGAZCA-UHFFFAOYSA-N -1 3 311.337 2.694 20 0 DFADHM Cc1cc(OCC(=O)N(C)c2ccccc2)cc2occ([O-])c21 ZINC000642609943 430520364 /nfs/dbraw/zinc/52/03/64/430520364.db2.gz GTXXWPBCLNLUST-UHFFFAOYSA-N -1 3 311.337 2.612 20 0 DFADHM CCc1ccc(NC(=O)COc2ccc3c([O-])coc3c2)cc1 ZINC000642608563 430520873 /nfs/dbraw/zinc/52/08/73/430520873.db2.gz 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COc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])c(OC)c1 ZINC000552286504 430593355 /nfs/dbraw/zinc/59/33/55/430593355.db2.gz RNPOGOQFEADUOH-UHFFFAOYSA-N -1 3 315.325 2.864 20 0 DFADHM O=C(Nc1c([O-])cccc1Cl)c1nnc2ccccc2n1 ZINC000552783043 430602279 /nfs/dbraw/zinc/60/22/79/430602279.db2.gz AAQWVAFIWWLYTE-UHFFFAOYSA-N -1 3 300.705 2.636 20 0 DFADHM O=c1[n-]c([C@@H]2CCCCN2CCCCC2CCOCC2)n[nH]1 ZINC000571034552 430598080 /nfs/dbraw/zinc/59/80/80/430598080.db2.gz KRYBINHBCJTFCX-AWEZNQCLSA-N -1 3 308.426 2.634 20 0 DFADHM CC(C)c1nc([C@H]2CCCN(Cc3ncccc3[O-])C2)no1 ZINC000570435430 430542892 /nfs/dbraw/zinc/54/28/92/430542892.db2.gz SVLKHGHJBIHUQM-LBPRGKRZSA-N -1 3 302.378 2.673 20 0 DFADHM CC(C)(C(=O)Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CCCCO1 ZINC000639485710 430652390 /nfs/dbraw/zinc/65/23/90/430652390.db2.gz QSONBGVPMPPUEH-NSHDSACASA-N -1 3 304.350 2.599 20 0 DFADHM CC(C)(C(=O)Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CCCCO1 ZINC000639485710 430652392 /nfs/dbraw/zinc/65/23/92/430652392.db2.gz QSONBGVPMPPUEH-NSHDSACASA-N -1 3 304.350 2.599 20 0 DFADHM CC(C)(C(=O)Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCCCO1 ZINC000639485710 430652395 /nfs/dbraw/zinc/65/23/95/430652395.db2.gz QSONBGVPMPPUEH-NSHDSACASA-N -1 3 304.350 2.599 20 0 DFADHM CCc1cc(C(=O)N[C@H]2CN(C)Cc3ccccc32)ccc1[O-] ZINC000644046230 430653099 /nfs/dbraw/zinc/65/30/99/430653099.db2.gz PGURGPXYAJZDQO-KRWDZBQOSA-N -1 3 310.397 2.871 20 0 DFADHM CCc1cc(C(=O)N[C@H]2CCc3cc(O)ccc3C2)ccc1[O-] ZINC000644082299 430658738 /nfs/dbraw/zinc/65/87/38/430658738.db2.gz PVGNDQZSJJPANX-INIZCTEOSA-N -1 3 311.381 2.948 20 0 DFADHM O=C(Nc1cc(C2CC2)[nH]n1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621720885 430606673 /nfs/dbraw/zinc/60/66/73/430606673.db2.gz SUPLJFYYHFFKRN-UHFFFAOYSA-N -1 3 311.263 3.264 20 0 DFADHM Cn1c(NC(=O)Cc2cncc([O-])c2)nc2cccc(Cl)c21 ZINC000553221540 430610294 /nfs/dbraw/zinc/61/02/94/430610294.db2.gz GUQQNMYEHJCHLC-UHFFFAOYSA-N -1 3 316.748 2.509 20 0 DFADHM CC(C)(CNC(=O)Cc1cncc([O-])c1)c1ccccc1F ZINC000571189830 430611738 /nfs/dbraw/zinc/61/17/38/430611738.db2.gz 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COc1cc(C(=O)NC[C@@H]2CCC3(CCCC3)O2)ccc1[O-] ZINC000655369746 430979611 /nfs/dbraw/zinc/97/96/11/430979611.db2.gz YPKXJJRFWOISSV-ZDUSSCGKSA-N -1 3 305.374 2.622 20 0 DFADHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)CC2(CCCCC2)O1 ZINC000655383349 430986210 /nfs/dbraw/zinc/98/62/10/430986210.db2.gz OIEBVWXRTHOYSZ-GFCCVEGCSA-N -1 3 314.389 2.522 20 0 DFADHM C[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)CC2(CCCCC2)O1 ZINC000655383349 430986214 /nfs/dbraw/zinc/98/62/14/430986214.db2.gz OIEBVWXRTHOYSZ-GFCCVEGCSA-N -1 3 314.389 2.522 20 0 DFADHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)CC2(CCCCC2)O1 ZINC000655383349 430986216 /nfs/dbraw/zinc/98/62/16/430986216.db2.gz OIEBVWXRTHOYSZ-GFCCVEGCSA-N -1 3 314.389 2.522 20 0 DFADHM CCCN(C)CC(C)(C)NCc1nc(=O)c2sccc2[n-]1 ZINC000662175370 430990557 /nfs/dbraw/zinc/99/05/57/430990557.db2.gz MHTKEHCIXGQOKX-UHFFFAOYSA-N -1 3 308.451 2.607 20 0 DFADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000655393804 430990597 /nfs/dbraw/zinc/99/05/97/430990597.db2.gz 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296981430 /nfs/dbraw/zinc/98/14/30/296981430.db2.gz RDWKRZMZQDBEDQ-RMKNXTFCSA-N -1 3 321.336 2.640 20 0 DFADHM O=C(NC[C@@H](O)C1CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436484986 297005594 /nfs/dbraw/zinc/00/55/94/297005594.db2.gz FHJQCZFSVDXJMO-QGZVFWFLSA-N -1 3 313.353 2.685 20 0 DFADHM CCOC(=O)c1cnc([N-]C(=O)Nc2cccc(CC)c2)n1C ZINC000436490559 297006042 /nfs/dbraw/zinc/00/60/42/297006042.db2.gz QGQSEUFAQCQKQH-UHFFFAOYSA-N -1 3 316.361 2.803 20 0 DFADHM Cc1cn2c(n1)[C@@H](CNC(=O)c1ccc(C)c(C)c1[O-])CCC2 ZINC000436516326 297008440 /nfs/dbraw/zinc/00/84/40/297008440.db2.gz TYDGLJUFRAOZLQ-CQSZACIVSA-N -1 3 313.401 2.821 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCN(C)C[C@H]2C(C)C)c([O-])c1 ZINC000436527761 297009409 /nfs/dbraw/zinc/00/94/09/297009409.db2.gz JBCCYVZBNVEFID-INIZCTEOSA-N -1 3 304.434 2.928 20 0 DFADHM CC(C)[C@H]1CN(C)CCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436531005 297009554 /nfs/dbraw/zinc/00/95/54/297009554.db2.gz RVDZDWJQRZKUTD-QGZVFWFLSA-N -1 3 316.445 2.683 20 0 DFADHM CCC[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCO1 ZINC000436532773 297010261 /nfs/dbraw/zinc/01/02/61/297010261.db2.gz GPNXXRLGOQZVBI-HNNXBMFYSA-N -1 3 303.402 2.912 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)c2ccc(C)cc2[O-])n[nH]1 ZINC000436544387 297010978 /nfs/dbraw/zinc/01/09/78/297010978.db2.gz CKBHFVUZFPHCFD-UHFFFAOYSA-N -1 3 324.340 2.747 20 0 DFADHM COc1cccc(C[C@@H](C)NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000436546864 297011218 /nfs/dbraw/zinc/01/12/18/297011218.db2.gz HJSVLBVGGUVXJN-GFCCVEGCSA-N -1 3 315.369 2.770 20 0 DFADHM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000436543371 297011273 /nfs/dbraw/zinc/01/12/73/297011273.db2.gz FJCHTYPOXLVVNO-GZMMTYOYSA-N -1 3 303.280 2.901 20 0 DFADHM O=C(c1ccccc1[O-])N1CCN(c2cccc(F)c2F)CC1 ZINC000436547154 297011594 /nfs/dbraw/zinc/01/15/94/297011594.db2.gz NDNSGLSJIIKHLV-UHFFFAOYSA-N -1 3 318.323 2.633 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc(C[S@](C)=O)c2)c([O-])c1 ZINC000436547202 297011619 /nfs/dbraw/zinc/01/16/19/297011619.db2.gz RLAHEQSAZTYXJW-NRFANRHFSA-N -1 3 303.383 2.831 20 0 DFADHM CNC(=O)CCCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436547357 297011794 /nfs/dbraw/zinc/01/17/94/297011794.db2.gz RZOFBZMYNRAOPJ-UHFFFAOYSA-N -1 3 320.433 2.895 20 0 DFADHM O=C(c1cc(Cl)ccc1[O-])N1CCCN(CC2CCC2)CC1 ZINC000436553278 297012198 /nfs/dbraw/zinc/01/21/98/297012198.db2.gz FFSMHIBMMORHMI-UHFFFAOYSA-N -1 3 322.836 2.994 20 0 DFADHM O=C(N[C@@H](c1nccs1)C(F)(F)F)c1ccc(O)cc1[O-] ZINC000436565120 297013275 /nfs/dbraw/zinc/01/32/75/297013275.db2.gz RQXKGDHDGZJKGG-VIFPVBQESA-N -1 3 318.276 2.588 20 0 DFADHM CCOC(=O)CN(C(=O)c1cccc(C)c1[O-])C1CCCC1 ZINC000436587894 297015921 /nfs/dbraw/zinc/01/59/21/297015921.db2.gz XOKRLUZLBUKRSY-UHFFFAOYSA-N -1 3 305.374 2.649 20 0 DFADHM COCc1cccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436573037 297013875 /nfs/dbraw/zinc/01/38/75/297013875.db2.gz GVPJCZRYFBIKKS-UHFFFAOYSA-N -1 3 313.353 2.671 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)c([O-])c1C ZINC000436577581 297014151 /nfs/dbraw/zinc/01/41/51/297014151.db2.gz VDULKJUXBTYODC-CQSZACIVSA-N -1 3 317.307 2.538 20 0 DFADHM Cc1ccc(C(=O)N[C@H](CC(N)=O)C2CCCCC2)c([O-])c1C ZINC000436578094 297014289 /nfs/dbraw/zinc/01/42/89/297014289.db2.gz PVWIYAPPXFJKCV-OAHLLOKOSA-N -1 3 318.417 2.563 20 0 DFADHM CC[C@H]1CN(C(=O)c2ccc(C)cc2[O-])[C@@H](CC)CN1C(C)=O ZINC000436587586 297015298 /nfs/dbraw/zinc/01/52/98/297015298.db2.gz POEPJYNZNFPTOA-GJZGRUSLSA-N -1 3 318.417 2.562 20 0 DFADHM Cc1cccc(C(=O)NCCOc2ccc(Cl)cn2)c1[O-] ZINC000436588060 297015631 /nfs/dbraw/zinc/01/56/31/297015631.db2.gz RSIPOMCFIMJZFZ-UHFFFAOYSA-N -1 3 306.749 2.558 20 0 DFADHM COCCN(C(=O)c1ccc([O-])c(OC)c1)[C@@H]1CC[C@@H](C)C1 ZINC000436595054 297016070 /nfs/dbraw/zinc/01/60/70/297016070.db2.gz KVSPENZLXVKFHU-TZMCWYRMSA-N -1 3 307.390 2.678 20 0 DFADHM Cc1cccc(C(=O)NCC[C@H]2COc3ccccc3O2)c1[O-] ZINC000436598702 297016886 /nfs/dbraw/zinc/01/68/86/297016886.db2.gz VJORDWOWWOAHSX-ZDUSSCGKSA-N -1 3 313.353 2.661 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCOCC12CCC2 ZINC000436599380 297017259 /nfs/dbraw/zinc/01/72/59/297017259.db2.gz CLSYOURQHRSIFM-UHFFFAOYSA-N -1 3 301.386 2.666 20 0 DFADHM COCCN(C[C@H]1CC=CCC1)C(=O)c1cccc(OC)c1[O-] ZINC000436599831 297017262 /nfs/dbraw/zinc/01/72/62/297017262.db2.gz DNONTIZUJDJWCI-AWEZNQCLSA-N -1 3 319.401 2.846 20 0 DFADHM COc1ccccc1C(=O)CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436605469 297017617 /nfs/dbraw/zinc/01/76/17/297017617.db2.gz PLPVSAIPVIEQTQ-UHFFFAOYSA-N -1 3 313.353 2.630 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c([O-])c1 ZINC000436604201 297017758 /nfs/dbraw/zinc/01/77/58/297017758.db2.gz NFYMAKOFNOBQPN-ZDUSSCGKSA-N -1 3 310.353 2.556 20 0 DFADHM O=C(CNC(=O)c1cc2c(cc1[O-])CCCC2)c1cccs1 ZINC000436608600 297017854 /nfs/dbraw/zinc/01/78/54/297017854.db2.gz UZRIVZJCITXYAD-UHFFFAOYSA-N -1 3 315.394 2.945 20 0 DFADHM O=C(NCCc1cccc(O)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436611150 297018038 /nfs/dbraw/zinc/01/80/38/297018038.db2.gz YODZWWJGEKARJQ-UHFFFAOYSA-N -1 3 311.381 2.949 20 0 DFADHM CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccccc1[O-] ZINC000436611266 297018249 /nfs/dbraw/zinc/01/82/49/297018249.db2.gz ZOVAAHYDXSBHKF-GFCCVEGCSA-N -1 3 307.390 2.975 20 0 DFADHM O=C(NCc1cnn2ccccc12)c1ccc2c(c1[O-])CCCC2 ZINC000436619847 297018595 /nfs/dbraw/zinc/01/85/95/297018595.db2.gz QSCCBHUZBVYXNM-UHFFFAOYSA-N -1 3 321.380 2.849 20 0 DFADHM COCC1(CNC(=O)c2cc(OC)ccc2[O-])CCCCC1 ZINC000436618377 297018623 /nfs/dbraw/zinc/01/86/23/297018623.db2.gz NMEMOOCZAKGYGK-UHFFFAOYSA-N -1 3 307.390 2.728 20 0 DFADHM O=C(NCCOc1ccc(Cl)cc1)c1c([O-])cccc1O ZINC000436649382 297021254 /nfs/dbraw/zinc/02/12/54/297021254.db2.gz RMRLCGOFBOSXED-UHFFFAOYSA-N -1 3 307.733 2.560 20 0 DFADHM COCCOc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000436628646 297019159 /nfs/dbraw/zinc/01/91/59/297019159.db2.gz GKMJVHYPJULYLT-UHFFFAOYSA-N -1 3 317.341 2.678 20 0 DFADHM Cc1cccc(C(=O)NCCNC(=O)CC2CCCCC2)c1[O-] ZINC000436626911 297019251 /nfs/dbraw/zinc/01/92/51/297019251.db2.gz SWISPBWWQLPUPA-UHFFFAOYSA-N -1 3 318.417 2.517 20 0 DFADHM O=C(N[C@H]1COc2ccc(Cl)cc21)c1ccc(O)cc1[O-] ZINC000436636563 297020198 /nfs/dbraw/zinc/02/01/98/297020198.db2.gz RKKNPWZESDHDNJ-LBPRGKRZSA-N -1 3 305.717 2.615 20 0 DFADHM CCC[C@]1(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCOC1 ZINC000436642007 297020240 /nfs/dbraw/zinc/02/02/40/297020240.db2.gz FPKKGCXGFRICRO-SFHVURJKSA-N -1 3 319.401 2.795 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)cs1)c1c([O-])cccc1O ZINC000436648390 297021023 /nfs/dbraw/zinc/02/10/23/297021023.db2.gz QCFSPXUYEZWIDP-UHFFFAOYSA-N -1 3 313.338 2.869 20 0 DFADHM O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1c([O-])cccc1O ZINC000436646029 297021073 /nfs/dbraw/zinc/02/10/73/297021073.db2.gz DTCHIOVUXWDDBZ-ZDUSSCGKSA-N -1 3 315.325 2.518 20 0 DFADHM Cc1cccc(C)c1OCCCNC(=O)c1c([O-])cccc1O ZINC000436648394 297021118 /nfs/dbraw/zinc/02/11/18/297021118.db2.gz QCWAOZPFVGBNJE-UHFFFAOYSA-N -1 3 315.369 2.914 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000436647046 297021140 /nfs/dbraw/zinc/02/11/40/297021140.db2.gz IZHIAXJSBZYEBN-AMXDTQDGSA-N -1 3 317.410 2.929 20 0 DFADHM C[C@H](NC(=O)c1c([O-])cccc1O)[C@H]1Oc2ccccc2[C@H]1C ZINC000436650422 297021425 /nfs/dbraw/zinc/02/14/25/297021425.db2.gz ZXHIDUVQOWXKRZ-RLFDGXBXSA-N -1 3 313.353 2.781 20 0 DFADHM COc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2O)cc1OC ZINC000436650004 297021561 /nfs/dbraw/zinc/02/15/61/297021561.db2.gz XOUJAGMXGNDJFG-SNVBAGLBSA-N -1 3 317.341 2.606 20 0 DFADHM O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1c([O-])cccc1O ZINC000436653248 297022066 /nfs/dbraw/zinc/02/20/66/297022066.db2.gz ARCAAJFFHJTLSM-SNVBAGLBSA-N -1 3 321.279 2.630 20 0 DFADHM Cc1n[nH]cc1CCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436666441 297023115 /nfs/dbraw/zinc/02/31/15/297023115.db2.gz PYDYFYOYEKJKQD-UHFFFAOYSA-N -1 3 313.401 2.665 20 0 DFADHM CCCN(CC(C)C)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436668357 297023157 /nfs/dbraw/zinc/02/31/57/297023157.db2.gz XTXPEBCBJLVMIW-UHFFFAOYSA-N -1 3 320.433 2.715 20 0 DFADHM CC[C@H](NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-])C(N)=O ZINC000436663733 297023237 /nfs/dbraw/zinc/02/32/37/297023237.db2.gz GYETYXKWVMCYEX-AWEZNQCLSA-N -1 3 306.406 2.633 20 0 DFADHM O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1ccc(O)cc1[O-] ZINC000436664607 297023289 /nfs/dbraw/zinc/02/32/89/297023289.db2.gz JXVYEZOUOSNSMO-GFCCVEGCSA-N -1 3 321.279 2.630 20 0 DFADHM COCC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])C(C)(C)C ZINC000436672338 297023672 /nfs/dbraw/zinc/02/36/72/297023672.db2.gz BVKHSQOAAQSZOH-OAHLLOKOSA-N -1 3 322.405 2.532 20 0 DFADHM CCN(CCCNC(=O)c1c([O-])cccc1O)c1ccccc1 ZINC000436672982 297024014 /nfs/dbraw/zinc/02/40/14/297024014.db2.gz HUDNACGKZWWNKI-UHFFFAOYSA-N -1 3 314.385 2.744 20 0 DFADHM O=C(NCc1cc(-c2ccccc2)no1)c1ccc(O)cc1[O-] ZINC000436675487 297024129 /nfs/dbraw/zinc/02/41/29/297024129.db2.gz ZKZJTTHIGLKCQH-UHFFFAOYSA-N -1 3 310.309 2.683 20 0 DFADHM COC(=O)CC1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436687029 297025125 /nfs/dbraw/zinc/02/51/25/297025125.db2.gz PPZGETLJEFRSHE-UHFFFAOYSA-N -1 3 319.401 2.931 20 0 DFADHM C[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])N1CCC(C)CC1 ZINC000436698108 297026080 /nfs/dbraw/zinc/02/60/80/297026080.db2.gz LPIGRXDBHIOPRU-LBPRGKRZSA-N -1 3 310.825 2.896 20 0 DFADHM COc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000436707938 297026675 /nfs/dbraw/zinc/02/66/75/297026675.db2.gz ZGDZSAJWEIKSPW-CLLJXQQHSA-N -1 3 307.390 2.724 20 0 DFADHM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000436748411 297031546 /nfs/dbraw/zinc/03/15/46/297031546.db2.gz SAMWZNFAQVSXDM-YVEFUNNKSA-N -1 3 315.369 2.907 20 0 DFADHM CCc1ccc(C(=O)NCc2noc3c2CCCC3)c([O-])c1 ZINC000436748597 297031563 /nfs/dbraw/zinc/03/15/63/297031563.db2.gz GVVBCWCEIXCFFS-UHFFFAOYSA-N -1 3 300.358 2.751 20 0 DFADHM COc1ccc(OCCCNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000436709511 297027516 /nfs/dbraw/zinc/02/75/16/297027516.db2.gz NYEBRFZDXLJLSU-UHFFFAOYSA-N -1 3 315.369 2.908 20 0 DFADHM O=C(Nc1nc2c(s1)CSCC2)c1c([O-])cccc1O ZINC000436715735 297027896 /nfs/dbraw/zinc/02/78/96/297027896.db2.gz QIZWZVDEMKJLQI-UHFFFAOYSA-N -1 3 308.384 2.596 20 0 DFADHM Cc1ccc(C(=O)N2CC(N(C)Cc3ccccc3)C2)c([O-])c1 ZINC000436716381 297027961 /nfs/dbraw/zinc/02/79/61/297027961.db2.gz AGIPQUPYCZAKER-UHFFFAOYSA-N -1 3 310.397 2.657 20 0 DFADHM CCc1ccc([C@@H](COC)NC(=O)c2cc(C)ccc2[O-])o1 ZINC000436721320 297028449 /nfs/dbraw/zinc/02/84/49/297028449.db2.gz XIGSECSKKTZKOE-CQSZACIVSA-N -1 3 303.358 2.974 20 0 DFADHM COc1cnc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])nc1 ZINC000436722857 297028550 /nfs/dbraw/zinc/02/85/50/297028550.db2.gz JWWIOASIURHEGW-UHFFFAOYSA-N -1 3 301.346 2.741 20 0 DFADHM CCCCOc1ccc(C(=O)NCCC2(O)CCC2)c([O-])c1 ZINC000436733030 297029265 /nfs/dbraw/zinc/02/92/65/297029265.db2.gz VZXNGKPASIEJDM-UHFFFAOYSA-N -1 3 307.390 2.606 20 0 DFADHM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cc(C)ccc2[O-])[nH]1 ZINC000436731202 297029378 /nfs/dbraw/zinc/02/93/78/297029378.db2.gz BAJPZPNRRHOSPT-QWRGUYRKSA-N -1 3 302.378 2.823 20 0 DFADHM CC[C@@H](C[C@H](C)CO)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436730471 297029423 /nfs/dbraw/zinc/02/94/23/297029423.db2.gz GWGDWVUDFVIVFL-WFASDCNBSA-N -1 3 305.418 2.798 20 0 DFADHM COCCN(C(=O)c1cc(OC)ccc1[O-])[C@@H]1CCC[C@H]1C ZINC000436732871 297029510 /nfs/dbraw/zinc/02/95/10/297029510.db2.gz SIUQYBJVZKNGDH-IUODEOHRSA-N -1 3 307.390 2.678 20 0 DFADHM C[C@@H]1CCC[C@]1(O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436731076 297029534 /nfs/dbraw/zinc/02/95/34/297029534.db2.gz ZRCILOHTOGZXFM-XIKOKIGWSA-N -1 3 303.402 2.552 20 0 DFADHM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(C)cc2[O-])[nH]1 ZINC000436734288 297030090 /nfs/dbraw/zinc/03/00/90/297030090.db2.gz CMQNHGWRCSQMDB-GHMZBOCLSA-N -1 3 302.378 2.823 20 0 DFADHM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436741554 297030513 /nfs/dbraw/zinc/03/05/13/297030513.db2.gz CLGUGIHGOACYPV-MGPLVRAMSA-N -1 3 319.332 2.743 20 0 DFADHM CCOc1ncccc1CNC(=O)c1cc(CC)ccc1[O-] ZINC000436760195 297032269 /nfs/dbraw/zinc/03/22/69/297032269.db2.gz NNEFXINWOXCNKZ-UHFFFAOYSA-N -1 3 300.358 2.678 20 0 DFADHM CCOc1ccc(CNC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000436761257 297032515 /nfs/dbraw/zinc/03/25/15/297032515.db2.gz XHUPUWKGVKSAKS-UHFFFAOYSA-N -1 3 301.342 2.730 20 0 DFADHM COC(=O)c1cccc(Cc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436776241 297033400 /nfs/dbraw/zinc/03/34/00/297033400.db2.gz IAKAIQWONJOBFY-UHFFFAOYSA-N -1 3 310.309 2.820 20 0 DFADHM Cc1ccc(C(=O)NC2(C(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000436783070 297033712 /nfs/dbraw/zinc/03/37/12/297033712.db2.gz PVQGUAZHULYJNM-UHFFFAOYSA-N -1 3 310.353 2.602 20 0 DFADHM Cc1cccc(C(=O)NC2(C(=O)Nc3ccccc3)CC2)c1[O-] ZINC000436783766 297034024 /nfs/dbraw/zinc/03/40/24/297034024.db2.gz UGPXUIITNPLHOO-UHFFFAOYSA-N -1 3 310.353 2.602 20 0 DFADHM CCc1ccc(C(=O)NCc2cc(C(=O)OC)c(C)o2)c([O-])c1 ZINC000436796351 297034729 /nfs/dbraw/zinc/03/47/29/297034729.db2.gz JJTICDKKPBHWPT-UHFFFAOYSA-N -1 3 317.341 2.573 20 0 DFADHM CCCCn1cc(CNC(=O)c2cc(C)ccc2[O-])c(C)n1 ZINC000436795328 297034773 /nfs/dbraw/zinc/03/47/73/297034773.db2.gz YJHYRNVBJQOIMT-UHFFFAOYSA-N -1 3 301.390 2.936 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc3[nH]c(N(C)C)nc3c2)c1[O-] ZINC000436793223 297035029 /nfs/dbraw/zinc/03/50/29/297035029.db2.gz JWDHUFBXGQPYER-UHFFFAOYSA-N -1 3 310.357 2.895 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)c1[O-] ZINC000436793223 297035031 /nfs/dbraw/zinc/03/50/31/297035031.db2.gz JWDHUFBXGQPYER-UHFFFAOYSA-N -1 3 310.357 2.895 20 0 DFADHM CCc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2)c([O-])c1 ZINC000436824170 297037438 /nfs/dbraw/zinc/03/74/38/297037438.db2.gz FTHAUNNVHLCAFG-HNNXBMFYSA-N -1 3 310.397 2.963 20 0 DFADHM CCOC(=O)C[C@H](C)N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436827101 297037584 /nfs/dbraw/zinc/03/75/84/297037584.db2.gz MSZSDCSYLVHDCB-LBPRGKRZSA-N -1 3 307.390 2.929 20 0 DFADHM COc1cccc(C(=O)NCCCNc2ccccc2F)c1[O-] ZINC000436835727 297038767 /nfs/dbraw/zinc/03/87/67/297038767.db2.gz WRZZKTWMKIKYDB-UHFFFAOYSA-N -1 3 318.348 2.772 20 0 DFADHM CCc1ccc(C(=O)NCC2([C@H](C)CCO)CCC2)c([O-])c1 ZINC000436838395 297038826 /nfs/dbraw/zinc/03/88/26/297038826.db2.gz KGKZZJNGTMXLOZ-CYBMUJFWSA-N -1 3 305.418 2.873 20 0 DFADHM COC(=O)C(C)(C)CCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436846626 297039551 /nfs/dbraw/zinc/03/95/51/297039551.db2.gz IDLKIYTWFGDIIV-UHFFFAOYSA-N -1 3 319.401 2.590 20 0 DFADHM CCOc1ccccc1CCNC(=O)c1cc(OC)ccc1[O-] ZINC000436856036 297040092 /nfs/dbraw/zinc/04/00/92/297040092.db2.gz XAYMANFSJANVOF-UHFFFAOYSA-N -1 3 315.369 2.772 20 0 DFADHM O=C(N[C@H]1COc2cccc(Cl)c21)c1ccc(O)cc1[O-] ZINC000436854077 297040215 /nfs/dbraw/zinc/04/02/15/297040215.db2.gz MCHMOSVPRYZSAK-NSHDSACASA-N -1 3 305.717 2.615 20 0 DFADHM COC[C@@H](CCO)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436851527 297040229 /nfs/dbraw/zinc/04/02/29/297040229.db2.gz MAHYANXNALMLMB-CQSZACIVSA-N -1 3 323.433 2.766 20 0 DFADHM COc1cccc(C(=O)Nc2ccc(OC(F)F)cn2)c1[O-] ZINC000436859846 297040355 /nfs/dbraw/zinc/04/03/55/297040355.db2.gz MEYBMEOOSKDORT-UHFFFAOYSA-N -1 3 310.256 2.650 20 0 DFADHM CS[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@H]1N(C)C ZINC000436905272 297043515 /nfs/dbraw/zinc/04/35/15/297043515.db2.gz HMYLZYHCSAEGKS-ZBFHGGJFSA-N -1 3 322.474 2.633 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2nnc(CC(C)C)s2)cc1[O-] ZINC000436869607 297041267 /nfs/dbraw/zinc/04/12/67/297041267.db2.gz MXTUUBQCFPMULF-UHFFFAOYSA-N -1 3 319.386 2.897 20 0 DFADHM COc1cccc(C(=O)Nc2cc(F)cc(F)c2OC)c1[O-] ZINC000436878813 297041837 /nfs/dbraw/zinc/04/18/37/297041837.db2.gz UWPGSDHGTPKQPA-UHFFFAOYSA-N -1 3 309.268 2.940 20 0 DFADHM CCc1ccc([O-])c(-c2nc(-c3ccc(C(N)=O)cc3)no2)c1 ZINC000436892516 297042707 /nfs/dbraw/zinc/04/27/07/297042707.db2.gz KENBOTIGJQSDLS-UHFFFAOYSA-N -1 3 309.325 2.771 20 0 DFADHM Cc1cccc(C(=O)NCc2nc3cc(F)ccc3o2)c1[O-] ZINC000436901222 297043326 /nfs/dbraw/zinc/04/33/26/297043326.db2.gz AKQSHBUCAMAUFZ-UHFFFAOYSA-N -1 3 300.289 2.911 20 0 DFADHM CC[C@H](C[C@H](C)CO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436903598 297043337 /nfs/dbraw/zinc/04/33/37/297043337.db2.gz NIXCWKXDHITYCJ-WCQYABFASA-N -1 3 321.417 2.633 20 0 DFADHM CS[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@@H]1N(C)C ZINC000436905271 297043396 /nfs/dbraw/zinc/04/33/96/297043396.db2.gz HMYLZYHCSAEGKS-HOCLYGCPSA-N -1 3 322.474 2.633 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c([O-])c1C ZINC000436907013 297043938 /nfs/dbraw/zinc/04/39/38/297043938.db2.gz JRLMQRACMQDBNU-GJZGRUSLSA-N -1 3 305.418 2.878 20 0 DFADHM Cc1ccc(C(=O)NCc2nc3cc(F)ccc3o2)c([O-])c1 ZINC000436907404 297043944 /nfs/dbraw/zinc/04/39/44/297043944.db2.gz YKZXTVKGFWTFRT-UHFFFAOYSA-N -1 3 300.289 2.911 20 0 DFADHM CCc1ccc([O-])c(-c2nc(Cc3cccc(C(N)=O)c3)no2)c1 ZINC000436916610 297044347 /nfs/dbraw/zinc/04/43/47/297044347.db2.gz AJRRYWYCPFQVRX-UHFFFAOYSA-N -1 3 323.352 2.694 20 0 DFADHM Cn1c(NC(=O)c2cc3c(cc2[O-])CCCC3)nc2cccnc21 ZINC000436918001 297044375 /nfs/dbraw/zinc/04/43/75/297044375.db2.gz ZMBNDISZBWLWTQ-UHFFFAOYSA-N -1 3 322.368 2.805 20 0 DFADHM C[C@H](CN1CCCCC1)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436917612 297044582 /nfs/dbraw/zinc/04/45/82/297044582.db2.gz BZGYVHZNSDWGBW-SNVBAGLBSA-N -1 3 314.788 2.789 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)c2cccc(OC)c2[O-])C12CCCC2 ZINC000436918276 297044838 /nfs/dbraw/zinc/04/48/38/297044838.db2.gz FVQDLYKCCKWUTG-HUUCEWRRSA-N -1 3 319.401 2.868 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)ccc1[O-] ZINC000436922939 297044945 /nfs/dbraw/zinc/04/49/45/297044945.db2.gz RSNAABMEZPOPAA-LBPRGKRZSA-N -1 3 314.389 2.510 20 0 DFADHM COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000436927995 297045285 /nfs/dbraw/zinc/04/52/85/297045285.db2.gz AXSYFEOTFQTQCR-GJZGRUSLSA-N -1 3 319.401 2.942 20 0 DFADHM CCOC(=O)c1cnc(C)c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436928664 297045373 /nfs/dbraw/zinc/04/53/73/297045373.db2.gz BUJMIJOXTPOXGY-UHFFFAOYSA-N -1 3 314.341 2.833 20 0 DFADHM Cc1cc(C(=O)NCCN2c3ccccc3C[C@H]2C)ccc1[O-] ZINC000436928655 297045527 /nfs/dbraw/zinc/04/55/27/297045527.db2.gz 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293938179 /nfs/dbraw/zinc/93/81/79/293938179.db2.gz BVQHOVMTVNYOBH-CQSZACIVSA-N -1 3 320.414 2.992 20 0 DFADHM COc1cccc(C[C@@H](C)NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436964411 297048248 /nfs/dbraw/zinc/04/82/48/297048248.db2.gz GPMZYQKQDCQIFK-GFCCVEGCSA-N -1 3 315.369 2.770 20 0 DFADHM CC[C@@H](CC(F)(F)F)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436983281 297049702 /nfs/dbraw/zinc/04/97/02/297049702.db2.gz WLOPKYNRIKNSQR-VIFPVBQESA-N -1 3 318.295 2.811 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](C)Cn2cccn2)c([O-])c1 ZINC000436971863 297048776 /nfs/dbraw/zinc/04/87/76/297048776.db2.gz LTRRWUQHKIUMSJ-ZDUSSCGKSA-N -1 3 317.389 2.586 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)c([O-])c1 ZINC000436973022 297049017 /nfs/dbraw/zinc/04/90/17/297049017.db2.gz RSXKJQPVOVXCOB-WBMJQRKESA-N -1 3 307.390 2.868 20 0 DFADHM O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc2c(c1[O-])CCCC2 ZINC000436977200 297049261 /nfs/dbraw/zinc/04/92/61/297049261.db2.gz QRPMCHGMKTWVEQ-CJNGLKHVSA-N -1 3 303.402 2.552 20 0 DFADHM COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cn2)c([O-])c1 ZINC000436976019 297049284 /nfs/dbraw/zinc/04/92/84/297049284.db2.gz AJOSMZMNVHNFIW-SECBINFHSA-N -1 3 306.749 2.940 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H]2CCCCO2)c([O-])c1 ZINC000436976365 297049380 /nfs/dbraw/zinc/04/93/80/297049380.db2.gz BYXHCSKTFMDYKV-CQSZACIVSA-N -1 3 307.390 2.870 20 0 DFADHM CCCCOc1ccc(C(=O)NCCC[C@H](O)CC)c([O-])c1 ZINC000436983504 297049813 /nfs/dbraw/zinc/04/98/13/297049813.db2.gz CMEMAHCZXXDZCO-CYBMUJFWSA-N -1 3 309.406 2.852 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H]2CCC[C@@H]2CCO)c([O-])c1 ZINC000436981396 297049924 /nfs/dbraw/zinc/04/99/24/297049924.db2.gz CPYHGRYANKOXOI-CJNGLKHVSA-N -1 3 321.417 2.852 20 0 DFADHM COc1cccc(C(=O)N[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c1[O-] ZINC000436982185 297049936 /nfs/dbraw/zinc/04/99/36/297049936.db2.gz TUYNGEPSBFACST-SGTLLEGYSA-N -1 3 321.417 2.708 20 0 DFADHM CCCCOc1ccc(C(=O)NCCC[C@H](C)CO)c([O-])c1 ZINC000436986074 297050186 /nfs/dbraw/zinc/05/01/86/297050186.db2.gz 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CCC[C@@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)C(C)C ZINC000154724162 295305739 /nfs/dbraw/zinc/30/57/39/295305739.db2.gz GVPHGGPJRPJKFZ-CQSZACIVSA-N -1 3 301.394 2.801 20 0 DFADHM CCC[C@@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)C(C)C ZINC000154724162 295305740 /nfs/dbraw/zinc/30/57/40/295305740.db2.gz GVPHGGPJRPJKFZ-CQSZACIVSA-N -1 3 301.394 2.801 20 0 DFADHM CN(C)C[C@@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000155309494 295316695 /nfs/dbraw/zinc/31/66/95/295316695.db2.gz PHDNODBZOSXWIM-NSHDSACASA-N -1 3 314.788 2.741 20 0 DFADHM Cc1cc(=O)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c[nH]1 ZINC000155461949 295319013 /nfs/dbraw/zinc/31/90/13/295319013.db2.gz XQAJABMEGNWKNH-UHFFFAOYSA-N -1 3 312.247 2.660 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000155787754 295325804 /nfs/dbraw/zinc/32/58/04/295325804.db2.gz XAJGUDJUYXJWDW-MLGOLLRUSA-N -1 3 319.449 2.747 20 0 DFADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000155787644 295325907 /nfs/dbraw/zinc/32/59/07/295325907.db2.gz 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COCCN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCC[C@H]1C ZINC000451367022 297795923 /nfs/dbraw/zinc/79/59/23/297795923.db2.gz KOFAAZLNPNCTPD-IUODEOHRSA-N -1 3 309.381 2.737 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)c1 ZINC000451391371 297800148 /nfs/dbraw/zinc/80/01/48/297800148.db2.gz FTLUUMPJZILSTL-RYUDHWBXSA-N -1 3 303.449 2.540 20 0 DFADHM COCC[C@H]([N-]S(=O)(=O)c1cc(C)cs1)C(C)(C)C ZINC000451511804 297820282 /nfs/dbraw/zinc/82/02/82/297820282.db2.gz RIRYESXETUTSNJ-NSHDSACASA-N -1 3 305.465 2.786 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000451560536 297835871 /nfs/dbraw/zinc/83/58/71/297835871.db2.gz VXSNMVLSHAOOBI-YGRLFVJLSA-N -1 3 309.412 2.857 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]CC[C@H]1CCc2ccccc21 ZINC000451637040 297849173 /nfs/dbraw/zinc/84/91/73/297849173.db2.gz AFUGFXHOGZIZNC-CQSZACIVSA-N -1 3 320.414 2.690 20 0 DFADHM CC(C)n1cc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)cn1 ZINC000451644372 297850108 /nfs/dbraw/zinc/85/01/08/297850108.db2.gz 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Cc1ccc([O-])c(CN2CC[C@](C)(C(=O)OC(C)(C)C)C2)n1 ZINC000453601574 298103608 /nfs/dbraw/zinc/10/36/08/298103608.db2.gz DYVDOTYNWGMCJE-KRWDZBQOSA-N -1 3 306.406 2.649 20 0 DFADHM CC1(C)CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000454256441 298145003 /nfs/dbraw/zinc/14/50/03/298145003.db2.gz FIEQYIQVKNWODM-SNVBAGLBSA-N -1 3 315.373 2.518 20 0 DFADHM COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000456131918 298457612 /nfs/dbraw/zinc/45/76/12/298457612.db2.gz HJPQDESMGNXCEW-MFKMUULPSA-N -1 3 311.765 2.507 20 0 DFADHM CCc1ccc(C(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)c([O-])c1 ZINC000457965173 298834706 /nfs/dbraw/zinc/83/47/06/298834706.db2.gz JVFSESPBWOYAJV-HUUCEWRRSA-N -1 3 301.386 2.596 20 0 DFADHM CC(C)c1cc(C(=O)[N-]c2cc3oc(=O)n(C)c3cc2F)no1 ZINC000458176069 298876682 /nfs/dbraw/zinc/87/66/82/298876682.db2.gz MBPCNDBQNLLRSY-UHFFFAOYSA-N -1 3 319.292 2.634 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](C)c2ccn(C)n2)c([O-])c1 ZINC000458290619 298900272 /nfs/dbraw/zinc/90/02/72/298900272.db2.gz 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/nfs/dbraw/zinc/16/75/14/300167514.db2.gz BOVVQURJYGDRSK-VIFPVBQESA-N -1 3 312.341 2.631 20 0 DFADHM CN(Cc1ncccc1[O-])CC(C)(C)CNC(=O)OC(C)(C)C ZINC000497266292 300184732 /nfs/dbraw/zinc/18/47/32/300184732.db2.gz RPIOBOSDCKSAOZ-UHFFFAOYSA-N -1 3 323.437 2.770 20 0 DFADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000497303520 300188112 /nfs/dbraw/zinc/18/81/12/300188112.db2.gz BRTVNMOMGPEUDY-JGZJWPJOSA-N -1 3 324.352 2.773 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000507529049 300237073 /nfs/dbraw/zinc/23/70/73/300237073.db2.gz HPMQTJDSZYTBIU-CHWSQXEVSA-N -1 3 300.424 2.785 20 0 DFADHM CO[C@@H]1C[C@H](CC(=O)[O-])N(Cc2cnc3ccc(C)cc3c2)C1 ZINC000514610624 300261919 /nfs/dbraw/zinc/26/19/19/300261919.db2.gz ZTKQNABTFBKLGO-HZPDHXFCSA-N -1 3 314.385 2.607 20 0 DFADHM O=S(=O)(CCOCC1CC1)[N-]c1ccc(Cl)c(F)c1 ZINC000514667403 300265748 /nfs/dbraw/zinc/26/57/48/300265748.db2.gz HPLJQMSPAKFHCP-UHFFFAOYSA-N -1 3 307.774 2.647 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)Cc1ccc(CC(C)C)cc1 ZINC000514795846 300271579 /nfs/dbraw/zinc/27/15/79/300271579.db2.gz FKNZNULHMXLZPV-UHFFFAOYSA-N -1 3 315.373 2.576 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)Cc1ccc(CC(C)C)cc1 ZINC000514795846 300271581 /nfs/dbraw/zinc/27/15/81/300271581.db2.gz FKNZNULHMXLZPV-UHFFFAOYSA-N -1 3 315.373 2.576 20 0 DFADHM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Cc1cncc([O-])c1 ZINC000514798179 300271978 /nfs/dbraw/zinc/27/19/78/300271978.db2.gz KDQCHNOWTLWFJJ-SNVBAGLBSA-N -1 3 318.323 2.754 20 0 DFADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CC2CCC1CC2 ZINC000514957321 300282300 /nfs/dbraw/zinc/28/23/00/300282300.db2.gz NWFSBIKSGKEUKP-ABIUDSBCSA-N -1 3 311.389 2.555 20 0 DFADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CC2CCC1CC2 ZINC000514957321 300282302 /nfs/dbraw/zinc/28/23/02/300282302.db2.gz NWFSBIKSGKEUKP-ABIUDSBCSA-N -1 3 311.389 2.555 20 0 DFADHM Cc1n[nH]cc1C1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000515037614 300285845 /nfs/dbraw/zinc/28/58/45/300285845.db2.gz OXBPCEQPFBWRFR-UHFFFAOYSA-N -1 3 317.364 2.512 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)c(F)c1 ZINC000515807740 300321127 /nfs/dbraw/zinc/32/11/27/300321127.db2.gz XJUVLWXEEDPITK-HNNXBMFYSA-N -1 3 313.394 2.691 20 0 DFADHM CCc1cccc(OCCN(CCC(=O)[O-])C[C@H]2CCCO2)c1 ZINC000516076194 300328668 /nfs/dbraw/zinc/32/86/68/300328668.db2.gz NBMKJVQMASVPMY-QGZVFWFLSA-N -1 3 321.417 2.584 20 0 DFADHM O=C(NCC1(C2CCC2)CCC1)c1c[n-]c2ccncc2c1=O ZINC000516417161 300341802 /nfs/dbraw/zinc/34/18/02/300341802.db2.gz DULGTTKFYMMSOM-UHFFFAOYSA-N -1 3 311.385 2.623 20 0 DFADHM O=S(=O)([N-][C@H]1CCC[C@@H]1c1ccccc1)c1cscn1 ZINC000516460875 300343163 /nfs/dbraw/zinc/34/31/63/300343163.db2.gz UZVTUUQWZANLJN-OLZOCXBDSA-N -1 3 308.428 2.758 20 0 DFADHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1cncc([O-])c1 ZINC000516583337 300350643 /nfs/dbraw/zinc/35/06/43/300350643.db2.gz XWRXZFDFKYIEHQ-SNVBAGLBSA-N -1 3 306.312 2.828 20 0 DFADHM Cc1nnccc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000516832469 300361768 /nfs/dbraw/zinc/36/17/68/300361768.db2.gz MJPGIZBPFXIKLE-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1nnccc1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000516832469 300361769 /nfs/dbraw/zinc/36/17/69/300361769.db2.gz MJPGIZBPFXIKLE-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1nnccc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000516832469 300361772 /nfs/dbraw/zinc/36/17/72/300361772.db2.gz MJPGIZBPFXIKLE-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM O=C(NC[C@H]1CCC(F)(F)C1)c1c[n-]nc1-c1ccccn1 ZINC000516898843 300367025 /nfs/dbraw/zinc/36/70/25/300367025.db2.gz JZJDBMAWJHJYGS-JTQLQIEISA-N -1 3 306.316 2.637 20 0 DFADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@H]1CCCOCC1 ZINC000517006816 300376027 /nfs/dbraw/zinc/37/60/27/300376027.db2.gz XTWXYIHUIHOKBA-VIFPVBQESA-N -1 3 322.315 2.505 20 0 DFADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@H]1CCCOCC1 ZINC000517006816 300376030 /nfs/dbraw/zinc/37/60/30/300376030.db2.gz XTWXYIHUIHOKBA-VIFPVBQESA-N -1 3 322.315 2.505 20 0 DFADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@H]1CCCOCC1 ZINC000517006816 300376032 /nfs/dbraw/zinc/37/60/32/300376032.db2.gz XTWXYIHUIHOKBA-VIFPVBQESA-N -1 3 322.315 2.505 20 0 DFADHM CO[C@@H]1C[C@@H](C(=O)[O-])N(CCc2cc(Cl)cc(Cl)c2)C1 ZINC000517381466 300394805 /nfs/dbraw/zinc/39/48/05/300394805.db2.gz KPUOWLFTDNXQOY-OLZOCXBDSA-N -1 3 318.200 2.710 20 0 DFADHM Cc1ccc(CCNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)o1 ZINC000519057573 300442355 /nfs/dbraw/zinc/44/23/55/300442355.db2.gz YZEKUIAJNQUXQV-UHFFFAOYSA-N -1 3 315.369 2.980 20 0 DFADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1c[n-]c2ccncc2c1=O ZINC000520189801 300487843 /nfs/dbraw/zinc/48/78/43/300487843.db2.gz QAKNNJVVSHDRHI-WBMJQRKESA-N -1 3 313.401 2.964 20 0 DFADHM O=c1cc(CNc2cccc3c2OCCC3=O)nc(C2CC2)[n-]1 ZINC000521985671 300543600 /nfs/dbraw/zinc/54/36/00/300543600.db2.gz UBQOSABKBYEHMA-UHFFFAOYSA-N -1 3 311.341 2.637 20 0 DFADHM Cc1cc(C)c(C(=O)[C@@H](C)Sc2n[n-]c(CO)n2)cc1C ZINC000526068730 300620145 /nfs/dbraw/zinc/62/01/45/300620145.db2.gz 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ZINC000530168260 301023473 /nfs/dbraw/zinc/02/34/73/301023473.db2.gz BKOZBWGHCHWCOI-MEBBXXQBSA-N -1 3 315.316 2.525 20 0 DFADHM Cc1cccc2nc(CN3[C@@H](C)CC(C(=O)[O-])C[C@@H]3C)cn21 ZINC000530173986 301024753 /nfs/dbraw/zinc/02/47/53/301024753.db2.gz HGRWSDBJNOOFIC-STQMWFEESA-N -1 3 301.390 2.716 20 0 DFADHM O=C([O-])C1(CN2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000530172980 301024871 /nfs/dbraw/zinc/02/48/71/301024871.db2.gz QESXVXXRZVDPFF-SFHVURJKSA-N -1 3 301.386 2.711 20 0 DFADHM O=C([O-])c1ccc(F)c2c1CN(CCC1CCOCC1)CC2 ZINC000530171083 301024917 /nfs/dbraw/zinc/02/49/17/301024917.db2.gz VTWKESDWOCFCSA-UHFFFAOYSA-N -1 3 307.365 2.699 20 0 DFADHM COc1nc(C)cc(C)c1CN1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC000530175233 301025191 /nfs/dbraw/zinc/02/51/91/301025191.db2.gz PCQNYYKJWRRZMM-CHWSQXEVSA-N -1 3 306.406 2.781 20 0 DFADHM C[C@@H]1CCCN(Cc2cccnc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000530213284 301029356 /nfs/dbraw/zinc/02/93/56/301029356.db2.gz OPWZXIGLLILQIL-KOLCDFICSA-N -1 3 302.296 2.786 20 0 DFADHM C[C@]1(CNCc2cccc(C(=O)[O-])c2)COc2ccccc2O1 ZINC000530252730 301035131 /nfs/dbraw/zinc/03/51/31/301035131.db2.gz PZXJKHSKTBUIJF-SFHVURJKSA-N -1 3 313.353 2.705 20 0 DFADHM CCc1cc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)on1 ZINC000530285335 301038562 /nfs/dbraw/zinc/03/85/62/301038562.db2.gz QNKVXCBJCDZWBZ-UHFFFAOYSA-N -1 3 314.263 2.891 20 0 DFADHM CCc1cccc(C(=O)N[C@H](CO)Cc2ccccc2C)c1[O-] ZINC000530339317 301041702 /nfs/dbraw/zinc/04/17/02/301041702.db2.gz PVANHJJZFBQBOU-INIZCTEOSA-N -1 3 313.397 2.596 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)c([O-])c1 ZINC000530564685 301056996 /nfs/dbraw/zinc/05/69/96/301056996.db2.gz IVSGSPSZFGEPFW-ZIAGYGMSSA-N -1 3 321.417 2.804 20 0 DFADHM CCc1cccc(C(=O)Nc2nc(C)c(C(=O)OC)s2)c1[O-] ZINC000530959861 301074199 /nfs/dbraw/zinc/07/41/99/301074199.db2.gz QMZYOTVNLRWDIH-UHFFFAOYSA-N -1 3 320.370 2.758 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000531434116 301091948 /nfs/dbraw/zinc/09/19/48/301091948.db2.gz 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ZINC000532940228 301178482 /nfs/dbraw/zinc/17/84/82/301178482.db2.gz IEPVFKYQKZGIMC-UHFFFAOYSA-N -1 3 320.356 2.852 20 0 DFADHM Cc1ccc2[nH]c(C(=O)Nc3cc(-c4nccn4C)n[n-]3)cc2c1 ZINC000532940228 301178485 /nfs/dbraw/zinc/17/84/85/301178485.db2.gz IEPVFKYQKZGIMC-UHFFFAOYSA-N -1 3 320.356 2.852 20 0 DFADHM Cc1cccc(NC(=O)[C@H](C)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000533203176 301191129 /nfs/dbraw/zinc/19/11/29/301191129.db2.gz OUVJBMVQUCOSKA-UONOGXRCSA-N -1 3 304.390 2.509 20 0 DFADHM CS(=O)(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC000533217968 301191626 /nfs/dbraw/zinc/19/16/26/301191626.db2.gz DBEMWALPUAGRFH-UHFFFAOYSA-N -1 3 302.552 2.613 20 0 DFADHM Cc1nc(C)c(CC(=O)N2CCCC23CCCCC3)c(=O)[n-]1 ZINC000534778660 301237205 /nfs/dbraw/zinc/23/72/05/301237205.db2.gz BYFXEOHEFYLHNG-UHFFFAOYSA-N -1 3 303.406 2.667 20 0 DFADHM Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc([O-])c1F ZINC000534946574 301240292 /nfs/dbraw/zinc/24/02/92/301240292.db2.gz DCEURIBISHEBOO-UHFFFAOYSA-N -1 3 317.242 2.851 20 0 DFADHM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000535759465 301258802 /nfs/dbraw/zinc/25/88/02/301258802.db2.gz ASBSVKWAHNUDPR-KBPBESRZSA-N -1 3 313.467 2.849 20 0 DFADHM CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1C ZINC000535834192 301263178 /nfs/dbraw/zinc/26/31/78/301263178.db2.gz KMDBGAFIPCSMPH-UHFFFAOYSA-N -1 3 308.337 2.693 20 0 DFADHM Cn1ncc(C(=O)Nc2ccc(Cl)cc2[O-])c1C(F)F ZINC000536220682 301270387 /nfs/dbraw/zinc/27/03/87/301270387.db2.gz PGHLGMCFJBZSEB-UHFFFAOYSA-N -1 3 301.680 2.969 20 0 DFADHM NC(=O)C1(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])CCC1 ZINC000536215300 301270470 /nfs/dbraw/zinc/27/04/70/301270470.db2.gz RPVPKYKMBDFAPM-UHFFFAOYSA-N -1 3 324.380 2.577 20 0 DFADHM Cc1ccccc1[C@@H](CO)NC(=O)Cc1ccc([O-])cc1Cl ZINC000537598986 301304683 /nfs/dbraw/zinc/30/46/83/301304683.db2.gz DTSCVIQGIDKRIW-MRXNPFEDSA-N -1 3 319.788 2.746 20 0 DFADHM CCc1cccc(C(=O)NC2(C(=O)OC)CCCCC2)c1[O-] ZINC000538742962 301330817 /nfs/dbraw/zinc/33/08/17/301330817.db2.gz MDFQYZYQIWWPIZ-UHFFFAOYSA-N -1 3 305.374 2.560 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@H](C)C(=O)Cc2ccccc2)c1 ZINC000538771550 301331425 /nfs/dbraw/zinc/33/14/25/301331425.db2.gz ALOMEVPYSYQPQE-CYBMUJFWSA-N -1 3 311.381 2.885 20 0 DFADHM COC(=O)CCC1CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000538782294 301331654 /nfs/dbraw/zinc/33/16/54/301331654.db2.gz FQIGCZMTJBKKHX-UHFFFAOYSA-N -1 3 305.374 2.506 20 0 DFADHM CCc1cccc(C(=O)NCC2([C@H](C)CCO)CCC2)c1[O-] ZINC000539412611 301342181 /nfs/dbraw/zinc/34/21/81/301342181.db2.gz VEWOCPWDTWEOAO-CYBMUJFWSA-N -1 3 305.418 2.873 20 0 DFADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000540125287 301357957 /nfs/dbraw/zinc/35/79/57/301357957.db2.gz PVGUYBBAEJSPJV-BBRMVZONSA-N -1 3 318.417 2.549 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCC2([C@H](C)CCO)CCC2)c1 ZINC000540511103 301364657 /nfs/dbraw/zinc/36/46/57/301364657.db2.gz GVYUVXBZEVVJRU-CYBMUJFWSA-N -1 3 305.418 2.873 20 0 DFADHM CCc1cc(NC(=O)CNC(=O)c2ccc([O-])cc2)ccc1C ZINC000540906109 301373585 /nfs/dbraw/zinc/37/35/85/301373585.db2.gz 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/nfs/dbraw/zinc/24/23/70/318242370.db2.gz SCLOYWPQPRFLKG-UHFFFAOYSA-N -1 3 313.405 2.555 20 0 DFADHM CC(C)(C)C1CC(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000578157464 318242373 /nfs/dbraw/zinc/24/23/73/318242373.db2.gz SCLOYWPQPRFLKG-UHFFFAOYSA-N -1 3 313.405 2.555 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@H]1Cc1ccccc1 ZINC000578204711 318244955 /nfs/dbraw/zinc/24/49/55/318244955.db2.gz YQWMRRYNZKHTDF-AWEZNQCLSA-N -1 3 309.369 2.517 20 0 DFADHM CCc1nc(C(C)C)ccc1CN1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000578207144 318245513 /nfs/dbraw/zinc/24/55/13/318245513.db2.gz MLQNTZWIRMSYNH-WMLDXEAASA-N -1 3 320.433 2.831 20 0 DFADHM CC(C)n1ccnc1CN1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000578242713 318247919 /nfs/dbraw/zinc/24/79/19/318247919.db2.gz KLSHRLQBYGOPDA-SFHVURJKSA-N -1 3 313.401 2.692 20 0 DFADHM Cn1ccc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)cc1=O ZINC000578308659 318251599 /nfs/dbraw/zinc/25/15/99/318251599.db2.gz KLPGLXNMMGNZGV-UHFFFAOYSA-N -1 3 323.352 2.687 20 0 DFADHM COc1nc2ccccc2cc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000578422472 318259316 /nfs/dbraw/zinc/25/93/16/318259316.db2.gz IJIWYHIAMAOBBS-ZDUSSCGKSA-N -1 3 314.385 2.930 20 0 DFADHM CCc1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)c1[O-] ZINC000578605141 318272021 /nfs/dbraw/zinc/27/20/21/318272021.db2.gz AWFGQHORMZIPJN-RDJZCZTQSA-N -1 3 311.381 2.903 20 0 DFADHM CCC[C@@H](C)[C@@H](CO)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000578757269 318283019 /nfs/dbraw/zinc/28/30/19/318283019.db2.gz TZDXDNHGVZJPKS-IUODEOHRSA-N -1 3 311.397 2.767 20 0 DFADHM Cc1cccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000578866935 318291018 /nfs/dbraw/zinc/29/10/18/318291018.db2.gz DEAYOADPMJRKRQ-AEGPPILISA-N -1 3 318.417 2.673 20 0 DFADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@@H](CCO)C3)c2c1 ZINC000578871904 318291342 /nfs/dbraw/zinc/29/13/42/318291342.db2.gz PMWKLQNAWVBLKH-ZDUSSCGKSA-N -1 3 314.385 2.759 20 0 DFADHM O=C([O-])COc1ccc(CCNCc2ccc(F)cc2F)cc1 ZINC000578945951 318296182 /nfs/dbraw/zinc/29/61/82/318296182.db2.gz 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/nfs/dbraw/zinc/34/36/27/318343627.db2.gz QJSIAGSRMRYUDM-IBGZPJMESA-N -1 3 310.397 2.740 20 0 DFADHM Cc1ccccc1-c1cnc(CN2CC[C@H](C(=O)[O-])[C@@H]2C)o1 ZINC000579724900 318350812 /nfs/dbraw/zinc/35/08/12/318350812.db2.gz UYOUAGNBOQPLHZ-JSGCOSHPSA-N -1 3 300.358 2.945 20 0 DFADHM COc1ccc2c(c1)N(C(=O)c1cccc3nn[n-]c31)CCCC2 ZINC000579910972 318361926 /nfs/dbraw/zinc/36/19/26/318361926.db2.gz SJXPXRIAJXHZOR-UHFFFAOYSA-N -1 3 322.368 2.950 20 0 DFADHM COc1ccc2c(c1)N(C(=O)c1cccc3[n-]nnc31)CCCC2 ZINC000579910972 318361928 /nfs/dbraw/zinc/36/19/28/318361928.db2.gz SJXPXRIAJXHZOR-UHFFFAOYSA-N -1 3 322.368 2.950 20 0 DFADHM COc1ccc2c(c1)N(C(=O)c1cccc3n[n-]nc31)CCCC2 ZINC000579910972 318361930 /nfs/dbraw/zinc/36/19/30/318361930.db2.gz SJXPXRIAJXHZOR-UHFFFAOYSA-N -1 3 322.368 2.950 20 0 DFADHM CCCN(CCC)S(=O)(=O)[N-]c1cc(C)cnc1OCC ZINC000580036194 318370512 /nfs/dbraw/zinc/37/05/12/318370512.db2.gz IBPNMYGIHCXSSE-UHFFFAOYSA-N -1 3 315.439 2.567 20 0 DFADHM COC[C@H](Cc1ccccc1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000580085290 318375005 /nfs/dbraw/zinc/37/50/05/318375005.db2.gz QRXLUBMIQQUCRJ-HNNXBMFYSA-N -1 3 303.358 2.667 20 0 DFADHM CN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)[C@@H]1CCCC[C@H]1O ZINC000580165100 318380049 /nfs/dbraw/zinc/38/00/49/318380049.db2.gz WDQBTWHCWGHCMP-HZPDHXFCSA-N -1 3 313.401 2.585 20 0 DFADHM C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1cccc(F)c1F ZINC000188677052 323218651 /nfs/dbraw/zinc/21/86/51/323218651.db2.gz KYCXTTSUCFVVSZ-MRVPVSSYSA-N -1 3 302.284 2.727 20 0 DFADHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1cccc(F)c1F ZINC000188677052 323218653 /nfs/dbraw/zinc/21/86/53/323218653.db2.gz KYCXTTSUCFVVSZ-MRVPVSSYSA-N -1 3 302.284 2.727 20 0 DFADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(F)c1F ZINC000188677052 323218655 /nfs/dbraw/zinc/21/86/55/323218655.db2.gz KYCXTTSUCFVVSZ-MRVPVSSYSA-N -1 3 302.284 2.727 20 0 DFADHM COc1ccc(C[C@@H](C)CNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000188652342 323218908 /nfs/dbraw/zinc/21/89/08/323218908.db2.gz OEWHVBDQPJAXLT-GFCCVEGCSA-N -1 3 324.384 2.575 20 0 DFADHM COc1ccc(C[C@@H](C)CNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000188652342 323218909 /nfs/dbraw/zinc/21/89/09/323218909.db2.gz OEWHVBDQPJAXLT-GFCCVEGCSA-N -1 3 324.384 2.575 20 0 DFADHM COc1ccc(C[C@@H](C)CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000188652342 323218912 /nfs/dbraw/zinc/21/89/12/323218912.db2.gz OEWHVBDQPJAXLT-GFCCVEGCSA-N -1 3 324.384 2.575 20 0 DFADHM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cccc3[n-]nnc32)C1 ZINC000188793256 323219944 /nfs/dbraw/zinc/21/99/44/323219944.db2.gz XYMFGZDKGJFREU-ABAIWWIYSA-N -1 3 307.357 2.576 20 0 DFADHM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cccc3nn[n-]c32)C1 ZINC000188793256 323219945 /nfs/dbraw/zinc/21/99/45/323219945.db2.gz XYMFGZDKGJFREU-ABAIWWIYSA-N -1 3 307.357 2.576 20 0 DFADHM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cccc3n[n-]nc32)C1 ZINC000188793256 323219947 /nfs/dbraw/zinc/21/99/47/323219947.db2.gz XYMFGZDKGJFREU-ABAIWWIYSA-N -1 3 307.357 2.576 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCCOC1)c1ccc(Cl)c(Cl)c1 ZINC000193987731 323260685 /nfs/dbraw/zinc/26/06/85/323260685.db2.gz 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323398976 /nfs/dbraw/zinc/39/89/76/323398976.db2.gz ZWPXFCHDGSYEBP-JQWIXIFHSA-N -1 3 302.353 2.653 20 0 DFADHM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cc(F)cc2n[n-]nc21 ZINC000580535358 323398980 /nfs/dbraw/zinc/39/89/80/323398980.db2.gz ZWPXFCHDGSYEBP-JQWIXIFHSA-N -1 3 302.353 2.653 20 0 DFADHM O=C([O-])c1cnccc1N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000580556042 323402909 /nfs/dbraw/zinc/40/29/09/323402909.db2.gz BEAQGKBVPHOIRA-CZUORRHYSA-N -1 3 316.332 2.673 20 0 DFADHM CCc1cccc(-c2nc(CC(=O)NC3CCCC3)no2)c1[O-] ZINC000581755121 323568931 /nfs/dbraw/zinc/56/89/31/323568931.db2.gz XGGOQULVFRESGZ-UHFFFAOYSA-N -1 3 315.373 2.606 20 0 DFADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCO[C@H](C4CC4)C3)c2c1 ZINC000582005640 323601512 /nfs/dbraw/zinc/60/15/12/323601512.db2.gz DDFRAMCCZJAATI-INIZCTEOSA-N -1 3 312.369 2.857 20 0 DFADHM CCC[C@H](C)S(=O)(=O)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000582125630 323621860 /nfs/dbraw/zinc/62/18/60/323621860.db2.gz ZPEDXAMTNBRDMS-QWHCGFSZSA-N -1 3 313.419 2.785 20 0 DFADHM Cc1ccc(Cl)c([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000582175860 323627578 /nfs/dbraw/zinc/62/75/78/323627578.db2.gz YAVNNAZMTHHSEE-UHFFFAOYSA-N -1 3 303.811 2.817 20 0 DFADHM Cc1nnc([N-]C(=O)c2scnc2C(F)(F)F)n1C1CC1 ZINC000582675285 323715742 /nfs/dbraw/zinc/71/57/42/323715742.db2.gz DGQRYZJNZDTIFW-UHFFFAOYSA-N -1 3 317.296 2.649 20 0 DFADHM CCn1nc(C)c(CNc2c(C(=O)[O-])cnc3ccccc32)c1C ZINC000583814923 323918718 /nfs/dbraw/zinc/91/87/18/323918718.db2.gz RFJGELLVEIPPLT-UHFFFAOYSA-N -1 3 324.384 2.800 20 0 DFADHM CCOc1ccc(C(C)=O)cc1CN1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000584356193 336122629 /nfs/dbraw/zinc/12/26/29/336122629.db2.gz CHGVWJLGBMRDCM-XIKOKIGWSA-N -1 3 319.401 2.831 20 0 DFADHM Cc1nc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])nc2ccccc12 ZINC000584535716 337358079 /nfs/dbraw/zinc/35/80/79/337358079.db2.gz WFJMWXIQVNLGRQ-QEORTHHSSA-N -1 3 311.385 2.623 20 0 DFADHM C=CC(=O)NCc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128192198 500573688 /nfs/dbraw/zinc/57/36/88/500573688.db2.gz 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O=C([O-])c1cccc(CNCc2ccc(-n3ccnc3)cc2)c1 ZINC000683176141 545984539 /nfs/dbraw/zinc/98/45/39/545984539.db2.gz IDLAHEOTPZEZJM-UHFFFAOYSA-N -1 3 307.353 2.860 20 0 DFADHM CCn1cc([C@@H]2CSCCN2C(=O)c2ccccc2[O-])cn1 ZINC000683363467 546019050 /nfs/dbraw/zinc/01/90/50/546019050.db2.gz ZQUBYJBQOONQHN-AWEZNQCLSA-N -1 3 317.414 2.539 20 0 DFADHM Cc1nc([N-]C(=O)c2ncc(Br)s2)cs1 ZINC000683414071 546029781 /nfs/dbraw/zinc/02/97/81/546029781.db2.gz HSIYRXQVGAKYRB-UHFFFAOYSA-N -1 3 304.194 2.923 20 0 DFADHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000683447486 546035509 /nfs/dbraw/zinc/03/55/09/546035509.db2.gz XFZZJQLMQHGNHC-UHFFFAOYSA-N -1 3 305.359 2.663 20 0 DFADHM [O-]c1cncc(/C=C\c2nc([C@H]3COc4ccccc4O3)no2)c1 ZINC000683593151 546066046 /nfs/dbraw/zinc/06/60/46/546066046.db2.gz AFCJTKJQOCNJHD-IYKSTZQJSA-N -1 3 323.308 2.853 20 0 DFADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000683987998 546132587 /nfs/dbraw/zinc/13/25/87/546132587.db2.gz CQKOGCVMGWDZIX-UHFFFAOYSA-N -1 3 313.195 2.706 20 0 DFADHM Cc1c2cccc(F)c2oc1C(=O)NCc1ncccc1[O-] ZINC000684349780 546197155 /nfs/dbraw/zinc/19/71/55/546197155.db2.gz BRUFSXGHEBDKMS-UHFFFAOYSA-N -1 3 300.289 2.911 20 0 DFADHM Cc1ccc(OCCCC(=O)NCc2ncccc2[O-])cc1 ZINC000684350938 546197313 /nfs/dbraw/zinc/19/73/13/546197313.db2.gz YDWIDXQXMBWVAB-UHFFFAOYSA-N -1 3 300.358 2.571 20 0 DFADHM CCN(C[C@@H]1CCOC1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000684408063 546210994 /nfs/dbraw/zinc/21/09/94/546210994.db2.gz LEVIUFSGDHJTBU-JTQLQIEISA-N -1 3 317.307 2.910 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@@H](O)C1)c1ccc(Cl)cc1Cl ZINC000684656943 546258146 /nfs/dbraw/zinc/25/81/46/546258146.db2.gz DRPQJLRMLLAUJJ-NXEZZACHSA-N -1 3 324.229 2.575 20 0 DFADHM COc1ccc(C(=O)N2CCCC[C@H]2c2cncn2C)c([O-])c1 ZINC000685302046 546340082 /nfs/dbraw/zinc/34/00/82/546340082.db2.gz VMIYUJQXNJBFHJ-AWEZNQCLSA-N -1 3 315.373 2.502 20 0 DFADHM CCOc1cccc(CCNC(=O)c2cc([O-])ccc2Cl)n1 ZINC000685785036 546389750 /nfs/dbraw/zinc/38/97/50/546389750.db2.gz VXJCWGFLUWYHST-UHFFFAOYSA-N -1 3 320.776 2.812 20 0 DFADHM CO[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)C(F)(F)F ZINC000736960267 598829905 /nfs/dbraw/zinc/82/99/05/598829905.db2.gz GTZMRELJDQNMAB-VIFPVBQESA-N -1 3 321.690 2.509 20 0 DFADHM CO[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)C(F)(F)F ZINC000736960267 598829907 /nfs/dbraw/zinc/82/99/07/598829907.db2.gz GTZMRELJDQNMAB-VIFPVBQESA-N -1 3 321.690 2.509 20 0 DFADHM CO[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)C(F)(F)F ZINC000736964531 598830710 /nfs/dbraw/zinc/83/07/10/598830710.db2.gz YCFSQLONXZRMDV-VIFPVBQESA-N -1 3 321.690 2.509 20 0 DFADHM CO[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)C(F)(F)F ZINC000736964531 598830711 /nfs/dbraw/zinc/83/07/11/598830711.db2.gz YCFSQLONXZRMDV-VIFPVBQESA-N -1 3 321.690 2.509 20 0 DFADHM CSCCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737180301 598832326 /nfs/dbraw/zinc/83/23/26/598832326.db2.gz FEAAARAARDRXQW-UHFFFAOYSA-N -1 3 323.397 2.502 20 0 DFADHM CSCCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737180301 598832327 /nfs/dbraw/zinc/83/23/27/598832327.db2.gz 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ZINC000736224103 598888703 /nfs/dbraw/zinc/88/87/03/598888703.db2.gz LMKOYCPLCCEUAT-GHMZBOCLSA-N -1 3 314.393 2.813 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCc2cccnc2)n1 ZINC000737242220 598891185 /nfs/dbraw/zinc/89/11/85/598891185.db2.gz VUFRIANECUXMSC-UHFFFAOYSA-N -1 3 312.402 2.608 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCc2cccnc2)n1 ZINC000737242220 598891187 /nfs/dbraw/zinc/89/11/87/598891187.db2.gz VUFRIANECUXMSC-UHFFFAOYSA-N -1 3 312.402 2.608 20 0 DFADHM C[C@@H](CC1CCCC1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000735983966 598901934 /nfs/dbraw/zinc/90/19/34/598901934.db2.gz AIVPVFHFNVAYIG-NSHDSACASA-N -1 3 300.362 2.989 20 0 DFADHM C[C@@H](CC1CCCC1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735983966 598901935 /nfs/dbraw/zinc/90/19/35/598901935.db2.gz AIVPVFHFNVAYIG-NSHDSACASA-N -1 3 300.362 2.989 20 0 DFADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736259716 598906726 /nfs/dbraw/zinc/90/67/26/598906726.db2.gz GFXVGSVHNUPBKP-OLZOCXBDSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736259716 598906728 /nfs/dbraw/zinc/90/67/28/598906728.db2.gz GFXVGSVHNUPBKP-OLZOCXBDSA-N -1 3 313.405 2.813 20 0 DFADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000738253165 598913838 /nfs/dbraw/zinc/91/38/38/598913838.db2.gz AMQBAFLDDUDGFW-GOSISDBHSA-N -1 3 323.400 2.829 20 0 DFADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000738253165 598913839 /nfs/dbraw/zinc/91/38/39/598913839.db2.gz AMQBAFLDDUDGFW-GOSISDBHSA-N -1 3 323.400 2.829 20 0 DFADHM C[C@H]1CCCCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736266208 598922801 /nfs/dbraw/zinc/92/28/01/598922801.db2.gz HCMSCSIJMYOVIH-JTQLQIEISA-N -1 3 318.356 2.802 20 0 DFADHM C[C@H]1CCCCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736266208 598922803 /nfs/dbraw/zinc/92/28/03/598922803.db2.gz HCMSCSIJMYOVIH-JTQLQIEISA-N -1 3 318.356 2.802 20 0 DFADHM Cc1cccc(C)c1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737391345 598923891 /nfs/dbraw/zinc/92/38/91/598923891.db2.gz 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/nfs/dbraw/zinc/93/91/99/598939199.db2.gz GQMAJWXWXAGMRL-LLVKDONJSA-N -1 3 306.801 2.930 20 0 DFADHM CC(C)C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000735794855 598939200 /nfs/dbraw/zinc/93/92/00/598939200.db2.gz GQMAJWXWXAGMRL-LLVKDONJSA-N -1 3 306.801 2.930 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(NCCc2nccs2)c1 ZINC000737570220 599422910 /nfs/dbraw/zinc/42/29/10/599422910.db2.gz DBOGNXLFIFPLFT-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(NCCc2nccs2)c1 ZINC000737570220 599422911 /nfs/dbraw/zinc/42/29/11/599422911.db2.gz DBOGNXLFIFPLFT-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM CC[C@H]1CCC[C@@H](Nc2nnc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736400485 598975112 /nfs/dbraw/zinc/97/51/12/598975112.db2.gz OTONDJWUHJFLPU-NWDGAFQWSA-N -1 3 301.398 2.654 20 0 DFADHM CC[C@H]1CCC[C@@H](Nc2nnc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000736400485 598975114 /nfs/dbraw/zinc/97/51/14/598975114.db2.gz OTONDJWUHJFLPU-NWDGAFQWSA-N -1 3 301.398 2.654 20 0 DFADHM Cc1cnc([C@H](Nc2ncccc2-c2nnn[n-]2)C2CC2)s1 ZINC000737444921 599321600 /nfs/dbraw/zinc/32/16/00/599321600.db2.gz CJPVEQJCICHURN-LLVKDONJSA-N -1 3 313.390 2.590 20 0 DFADHM Cc1cnc([C@H](Nc2ncccc2-c2nn[n-]n2)C2CC2)s1 ZINC000737444921 599321601 /nfs/dbraw/zinc/32/16/01/599321601.db2.gz CJPVEQJCICHURN-LLVKDONJSA-N -1 3 313.390 2.590 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCC1CC1 ZINC000736480499 598989235 /nfs/dbraw/zinc/98/92/35/598989235.db2.gz QJJIQDKGRPPXKR-UHFFFAOYSA-N -1 3 313.405 2.796 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCC1CC1 ZINC000736480499 598989237 /nfs/dbraw/zinc/98/92/37/598989237.db2.gz QJJIQDKGRPPXKR-UHFFFAOYSA-N -1 3 313.405 2.796 20 0 DFADHM CCN(C(=O)CCC1CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501233 598989517 /nfs/dbraw/zinc/98/95/17/598989517.db2.gz BEIPFUHWFLWFEQ-LBPRGKRZSA-N -1 3 313.405 2.966 20 0 DFADHM CCN(C(=O)CCC1CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501233 598989519 /nfs/dbraw/zinc/98/95/19/598989519.db2.gz BEIPFUHWFLWFEQ-LBPRGKRZSA-N -1 3 313.405 2.966 20 0 DFADHM C/C=C\CSCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736306627 599009064 /nfs/dbraw/zinc/00/90/64/599009064.db2.gz YJDLTBXYCBLJSE-ARJAWSKDSA-N -1 3 306.391 2.563 20 0 DFADHM C/C=C\CSCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736306627 599009066 /nfs/dbraw/zinc/00/90/66/599009066.db2.gz YJDLTBXYCBLJSE-ARJAWSKDSA-N -1 3 306.391 2.563 20 0 DFADHM CCOC(=O)C[C@@H](C)SCc1ccc(-c2nnn[n-]2)cc1F ZINC000736594208 599014365 /nfs/dbraw/zinc/01/43/65/599014365.db2.gz OPSGFBUHSXXQFW-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)C[C@@H](C)SCc1ccc(-c2nn[n-]n2)cc1F ZINC000736594208 599014366 /nfs/dbraw/zinc/01/43/66/599014366.db2.gz OPSGFBUHSXXQFW-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM COc1cc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000737047212 599028579 /nfs/dbraw/zinc/02/85/79/599028579.db2.gz JOSSTRMIHHTLBY-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1cc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000737047212 599028581 /nfs/dbraw/zinc/02/85/81/599028581.db2.gz JOSSTRMIHHTLBY-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM C[C@H](C(=O)Nc1cccc(NC(=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000736762365 599740286 /nfs/dbraw/zinc/74/02/86/599740286.db2.gz KSHCQRBYWMBZHQ-IJLUTSLNSA-N -1 3 305.378 2.976 20 0 DFADHM CC[C@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736327652 599328401 /nfs/dbraw/zinc/32/84/01/599328401.db2.gz RSOAWFNVSRWDHL-QWRGUYRKSA-N -1 3 319.434 2.576 20 0 DFADHM CC[C@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736327652 599328402 /nfs/dbraw/zinc/32/84/02/599328402.db2.gz RSOAWFNVSRWDHL-QWRGUYRKSA-N -1 3 319.434 2.576 20 0 DFADHM C[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)C(C)(C)C ZINC000736027145 599058688 /nfs/dbraw/zinc/05/86/88/599058688.db2.gz YGWRYJHYKWEXJQ-SNVBAGLBSA-N -1 3 300.410 2.845 20 0 DFADHM C[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)C(C)(C)C ZINC000736027145 599058690 /nfs/dbraw/zinc/05/86/90/599058690.db2.gz YGWRYJHYKWEXJQ-SNVBAGLBSA-N -1 3 300.410 2.845 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(C(C)C)CC2)n1 ZINC000822191090 599055479 /nfs/dbraw/zinc/05/54/79/599055479.db2.gz FSUJMNDUVYOBQX-UHFFFAOYSA-N -1 3 300.410 2.751 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(C(C)C)CC2)n1 ZINC000822191090 599055482 /nfs/dbraw/zinc/05/54/82/599055482.db2.gz FSUJMNDUVYOBQX-UHFFFAOYSA-N -1 3 300.410 2.751 20 0 DFADHM CCCc1noc(CSc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000736500502 599066464 /nfs/dbraw/zinc/06/64/64/599066464.db2.gz PVCQVOOUBYBDEY-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM CCCc1noc(CSc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000736500502 599066467 /nfs/dbraw/zinc/06/64/67/599066467.db2.gz PVCQVOOUBYBDEY-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM CS[C@@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821951347 599072968 /nfs/dbraw/zinc/07/29/68/599072968.db2.gz XAJJBGVADUYPMI-RKDXNWHRSA-N -1 3 310.814 2.611 20 0 DFADHM CS[C@@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821951347 599072970 /nfs/dbraw/zinc/07/29/70/599072970.db2.gz XAJJBGVADUYPMI-RKDXNWHRSA-N -1 3 310.814 2.611 20 0 DFADHM O[C@@H](CCNc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000823675130 599086673 /nfs/dbraw/zinc/08/66/73/599086673.db2.gz VDZQOTUTNMAFOA-AWEZNQCLSA-N -1 3 313.336 2.541 20 0 DFADHM O[C@@H](CCNc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000823675130 599086676 /nfs/dbraw/zinc/08/66/76/599086676.db2.gz VDZQOTUTNMAFOA-AWEZNQCLSA-N -1 3 313.336 2.541 20 0 DFADHM CC[C@]1(C)CCCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000820951284 599089862 /nfs/dbraw/zinc/08/98/62/599089862.db2.gz XMAHOEUSAGEDJX-QGZVFWFLSA-N -1 3 312.421 2.767 20 0 DFADHM CC[C@]1(C)CCCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000820951284 599089865 /nfs/dbraw/zinc/08/98/65/599089865.db2.gz XMAHOEUSAGEDJX-QGZVFWFLSA-N -1 3 312.421 2.767 20 0 DFADHM CCC[C@@H](CCO)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821023327 599104753 /nfs/dbraw/zinc/10/47/53/599104753.db2.gz XYELCAJYVBUHFG-JTQLQIEISA-N -1 3 309.801 2.731 20 0 DFADHM CCC[C@@H](CCO)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821023327 599104754 /nfs/dbraw/zinc/10/47/54/599104754.db2.gz XYELCAJYVBUHFG-JTQLQIEISA-N -1 3 309.801 2.731 20 0 DFADHM CCC[C@H](CCO)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821021211 599104756 /nfs/dbraw/zinc/10/47/56/599104756.db2.gz LXEXUVCSDKGCEJ-SNVBAGLBSA-N -1 3 309.801 2.731 20 0 DFADHM CCC[C@H](CCO)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821021211 599104757 /nfs/dbraw/zinc/10/47/57/599104757.db2.gz LXEXUVCSDKGCEJ-SNVBAGLBSA-N -1 3 309.801 2.731 20 0 DFADHM O=C(OCc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000738232471 599112494 /nfs/dbraw/zinc/11/24/94/599112494.db2.gz JYBCGTAXNRUUBL-UHFFFAOYSA-N -1 3 320.352 2.712 20 0 DFADHM O=C(OCc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000738232471 599112497 /nfs/dbraw/zinc/11/24/97/599112497.db2.gz JYBCGTAXNRUUBL-UHFFFAOYSA-N -1 3 320.352 2.712 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H](C)C1 ZINC000737408620 599121809 /nfs/dbraw/zinc/12/18/09/599121809.db2.gz IXHOZAJYQUQCLH-LLVKDONJSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H](C)C1 ZINC000737408620 599121811 /nfs/dbraw/zinc/12/18/11/599121811.db2.gz IXHOZAJYQUQCLH-LLVKDONJSA-N -1 3 308.389 2.960 20 0 DFADHM CCc1cnc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)o1 ZINC000821499856 599123099 /nfs/dbraw/zinc/12/30/99/599123099.db2.gz SRPZTHSDSQTSAD-UHFFFAOYSA-N -1 3 316.390 2.721 20 0 DFADHM CCc1cnc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)o1 ZINC000821499856 599123101 /nfs/dbraw/zinc/12/31/01/599123101.db2.gz SRPZTHSDSQTSAD-UHFFFAOYSA-N -1 3 316.390 2.721 20 0 DFADHM CC(C)[C@H](C)SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820021582 599130189 /nfs/dbraw/zinc/13/01/89/599130189.db2.gz WRHFHYXDUPRAJF-JTQLQIEISA-N -1 3 305.407 2.583 20 0 DFADHM CC(C)[C@H](C)SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820021582 599130191 /nfs/dbraw/zinc/13/01/91/599130191.db2.gz WRHFHYXDUPRAJF-JTQLQIEISA-N -1 3 305.407 2.583 20 0 DFADHM C[C@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736017916 599146714 /nfs/dbraw/zinc/14/67/14/599146714.db2.gz RQHFNYDLZZSBAN-SECBINFHSA-N -1 3 320.372 2.810 20 0 DFADHM C[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736017916 599146716 /nfs/dbraw/zinc/14/67/16/599146716.db2.gz RQHFNYDLZZSBAN-SECBINFHSA-N -1 3 320.372 2.810 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000735571267 599144149 /nfs/dbraw/zinc/14/41/49/599144149.db2.gz AVBFFPAZZXFWER-VIFPVBQESA-N -1 3 306.341 2.731 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000735571267 599144151 /nfs/dbraw/zinc/14/41/51/599144151.db2.gz AVBFFPAZZXFWER-VIFPVBQESA-N -1 3 306.341 2.731 20 0 DFADHM CCn1c2ccccc2nc1-c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821564261 599155723 /nfs/dbraw/zinc/15/57/23/599155723.db2.gz ZRMMGXLWVLPZRN-UHFFFAOYSA-N -1 3 320.356 2.912 20 0 DFADHM CCn1c2ccccc2nc1-c1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821564261 599155726 /nfs/dbraw/zinc/15/57/26/599155726.db2.gz ZRMMGXLWVLPZRN-UHFFFAOYSA-N -1 3 320.356 2.912 20 0 DFADHM CC[C@H]1CCC[C@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736398656 599156081 /nfs/dbraw/zinc/15/60/81/599156081.db2.gz BYXRHQLLBHBQHI-FZMZJTMJSA-N -1 3 300.362 2.992 20 0 DFADHM CC[C@H]1CCC[C@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736398656 599156083 /nfs/dbraw/zinc/15/60/83/599156083.db2.gz BYXRHQLLBHBQHI-FZMZJTMJSA-N -1 3 300.362 2.992 20 0 DFADHM CC(C)(C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735597988 599168408 /nfs/dbraw/zinc/16/84/08/599168408.db2.gz VRDYECLKOGNCBH-UHFFFAOYSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)(C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735597988 599168409 /nfs/dbraw/zinc/16/84/09/599168409.db2.gz VRDYECLKOGNCBH-UHFFFAOYSA-N -1 3 313.405 2.765 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@H]2c2ccco2)n1 ZINC000737245802 599168884 /nfs/dbraw/zinc/16/88/84/599168884.db2.gz PJFMXVCNUPLGAN-LBPRGKRZSA-N -1 3 310.361 2.813 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@H]2c2ccco2)n1 ZINC000737245802 599168885 /nfs/dbraw/zinc/16/88/85/599168885.db2.gz PJFMXVCNUPLGAN-LBPRGKRZSA-N -1 3 310.361 2.813 20 0 DFADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)OC(C)(C)C ZINC000736190595 599170489 /nfs/dbraw/zinc/17/04/89/599170489.db2.gz FVRVDFAJJYJREQ-MRVPVSSYSA-N -1 3 324.381 2.828 20 0 DFADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)OC(C)(C)C ZINC000736190595 599170490 /nfs/dbraw/zinc/17/04/90/599170490.db2.gz FVRVDFAJJYJREQ-MRVPVSSYSA-N -1 3 324.381 2.828 20 0 DFADHM Fc1cccc(F)c1[C@@H]1C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000737659335 599171526 /nfs/dbraw/zinc/17/15/26/599171526.db2.gz CLRGDVCHVZTCDK-BXKDBHETSA-N -1 3 314.299 2.508 20 0 DFADHM Fc1cccc(F)c1[C@@H]1C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000737659335 599171527 /nfs/dbraw/zinc/17/15/27/599171527.db2.gz CLRGDVCHVZTCDK-BXKDBHETSA-N -1 3 314.299 2.508 20 0 DFADHM CC(C)c1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ncn1 ZINC000820187584 599353994 /nfs/dbraw/zinc/35/39/94/599353994.db2.gz IIDUIXSPXYSAAU-LLVKDONJSA-N -1 3 309.377 2.953 20 0 DFADHM CC(C)c1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ncn1 ZINC000820187584 599353995 /nfs/dbraw/zinc/35/39/95/599353995.db2.gz IIDUIXSPXYSAAU-LLVKDONJSA-N -1 3 309.377 2.953 20 0 DFADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821034435 599192930 /nfs/dbraw/zinc/19/29/30/599192930.db2.gz MGPFFAUYCSYTAZ-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821034435 599192932 /nfs/dbraw/zinc/19/29/32/599192932.db2.gz MGPFFAUYCSYTAZ-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CCC(CC)(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)SC ZINC000820887398 599199534 /nfs/dbraw/zinc/19/95/34/599199534.db2.gz BQBFFYKMTAAJOL-UHFFFAOYSA-N -1 3 319.434 2.518 20 0 DFADHM CCC(CC)(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)SC ZINC000820887398 599199536 /nfs/dbraw/zinc/19/95/36/599199536.db2.gz BQBFFYKMTAAJOL-UHFFFAOYSA-N -1 3 319.434 2.518 20 0 DFADHM CC[C@@]1(C)CCCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000820950509 599201660 /nfs/dbraw/zinc/20/16/60/599201660.db2.gz OPWLVKHPENZHKO-AWEZNQCLSA-N -1 3 305.407 2.581 20 0 DFADHM CC[C@@]1(C)CCCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000820950509 599201661 /nfs/dbraw/zinc/20/16/61/599201661.db2.gz OPWLVKHPENZHKO-AWEZNQCLSA-N -1 3 305.407 2.581 20 0 DFADHM CCC[C@]1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821028753 599219934 /nfs/dbraw/zinc/21/99/34/599219934.db2.gz YZGPVDPKQBACRG-QGZVFWFLSA-N -1 3 313.405 2.909 20 0 DFADHM CCC[C@]1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821028753 599219938 /nfs/dbraw/zinc/21/99/38/599219938.db2.gz YZGPVDPKQBACRG-QGZVFWFLSA-N -1 3 313.405 2.909 20 0 DFADHM CCc1ccccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821491901 607264600 /nfs/dbraw/zinc/26/46/00/607264600.db2.gz BPKWQIZKKRKGCI-GFCCVEGCSA-N -1 3 321.384 2.920 20 0 DFADHM CCc1ccccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821491901 607264601 /nfs/dbraw/zinc/26/46/01/607264601.db2.gz BPKWQIZKKRKGCI-GFCCVEGCSA-N -1 3 321.384 2.920 20 0 DFADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820698254 599240591 /nfs/dbraw/zinc/24/05/91/599240591.db2.gz RUQHGDZKIXXADW-NWDGAFQWSA-N -1 3 314.393 2.909 20 0 DFADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820698254 599240593 /nfs/dbraw/zinc/24/05/93/599240593.db2.gz RUQHGDZKIXXADW-NWDGAFQWSA-N -1 3 314.393 2.909 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1F ZINC000822227588 607271223 /nfs/dbraw/zinc/27/12/23/607271223.db2.gz OHOUKGHQVYCUCS-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1F ZINC000822227588 607271224 /nfs/dbraw/zinc/27/12/24/607271224.db2.gz OHOUKGHQVYCUCS-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1c(NC(=O)C=Cc2ccsc2)cccc1-c1nnn[n-]1 ZINC000822066445 607271517 /nfs/dbraw/zinc/27/15/17/607271517.db2.gz FAOFTIVBXWZPSV-WAYWQWQTSA-N -1 3 311.370 2.889 20 0 DFADHM Cc1c(NC(=O)C=Cc2ccsc2)cccc1-c1nn[n-]n1 ZINC000822066445 607271518 /nfs/dbraw/zinc/27/15/18/607271518.db2.gz FAOFTIVBXWZPSV-WAYWQWQTSA-N -1 3 311.370 2.889 20 0 DFADHM CC1(C)CCC(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820589067 599243299 /nfs/dbraw/zinc/24/32/99/599243299.db2.gz AAOSYCOMWUPKLT-UHFFFAOYSA-N -1 3 314.393 2.957 20 0 DFADHM CC1(C)CCC(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820589067 599243301 /nfs/dbraw/zinc/24/33/01/599243301.db2.gz AAOSYCOMWUPKLT-UHFFFAOYSA-N -1 3 314.393 2.957 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820967668 607280527 /nfs/dbraw/zinc/28/05/27/607280527.db2.gz SLUHIUFZZNGKBC-ZYHUDNBSSA-N -1 3 314.393 2.827 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820967668 607280528 /nfs/dbraw/zinc/28/05/28/607280528.db2.gz SLUHIUFZZNGKBC-ZYHUDNBSSA-N -1 3 314.393 2.827 20 0 DFADHM CCCCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)C1CC1 ZINC000821060333 607282767 /nfs/dbraw/zinc/28/27/67/607282767.db2.gz ATSCUPSBHCMMPH-UHFFFAOYSA-N -1 3 314.393 2.972 20 0 DFADHM CCCCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)C1CC1 ZINC000821060333 607282768 /nfs/dbraw/zinc/28/27/68/607282768.db2.gz ATSCUPSBHCMMPH-UHFFFAOYSA-N -1 3 314.393 2.972 20 0 DFADHM CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)C(C)C ZINC000820920077 607288947 /nfs/dbraw/zinc/28/89/47/607288947.db2.gz KCNSKWAYWBBDRF-LBPRGKRZSA-N -1 3 302.382 2.731 20 0 DFADHM CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)C(C)C ZINC000820920077 607288948 /nfs/dbraw/zinc/28/89/48/607288948.db2.gz KCNSKWAYWBBDRF-LBPRGKRZSA-N -1 3 302.382 2.731 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CCCC[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822092320 607289435 /nfs/dbraw/zinc/28/94/35/607289435.db2.gz WADGFWJGHPFQMB-MFKMUULPSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CCCC[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822092320 607289436 /nfs/dbraw/zinc/28/94/36/607289436.db2.gz WADGFWJGHPFQMB-MFKMUULPSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)NCCCC(C)C)cccc1-c1nnn[n-]1 ZINC000822095135 607290855 /nfs/dbraw/zinc/29/08/55/607290855.db2.gz APDJXSXLRAROFF-UHFFFAOYSA-N -1 3 302.382 2.733 20 0 DFADHM Cc1c(NC(=O)NCCCC(C)C)cccc1-c1nn[n-]n1 ZINC000822095135 607290856 /nfs/dbraw/zinc/29/08/56/607290856.db2.gz APDJXSXLRAROFF-UHFFFAOYSA-N -1 3 302.382 2.733 20 0 DFADHM O[C@@H]1CCCC[C@@H]1CCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000823706729 607306576 /nfs/dbraw/zinc/30/65/76/607306576.db2.gz OGEGQCIHDCHDFK-BXUZGUMPSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@@H]1CCCC[C@@H]1CCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000823706729 607306577 /nfs/dbraw/zinc/30/65/77/607306577.db2.gz OGEGQCIHDCHDFK-BXUZGUMPSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@@H]1CCCC[C@H]1CCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000823706412 607306618 /nfs/dbraw/zinc/30/66/18/607306618.db2.gz MHXABVJHQQNMJK-SWLSCSKDSA-N -1 3 301.394 2.610 20 0 DFADHM O[C@H]1CCCC[C@H]1CCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000823706923 607306699 /nfs/dbraw/zinc/30/66/99/607306699.db2.gz RTBVRYFHWJZJEK-NHYWBVRUSA-N -1 3 319.384 2.749 20 0 DFADHM COc1c(F)cc(NCc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821698338 607309841 /nfs/dbraw/zinc/30/98/41/607309841.db2.gz FZJYSLUDCBZQSE-UHFFFAOYSA-N -1 3 323.328 2.827 20 0 DFADHM CN1CCCc2cc(NCc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000821625501 607314430 /nfs/dbraw/zinc/31/44/30/607314430.db2.gz PQTFTEOZHOQDPL-UHFFFAOYSA-N -1 3 320.400 2.861 20 0 DFADHM CN1CCCc2cc(NCc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000821625501 607314431 /nfs/dbraw/zinc/31/44/31/607314431.db2.gz PQTFTEOZHOQDPL-UHFFFAOYSA-N -1 3 320.400 2.861 20 0 DFADHM CCc1ccc([C@@H]2CCCN2c2ncccc2-c2nnn[n-]2)o1 ZINC000736689361 599266714 /nfs/dbraw/zinc/26/67/14/599266714.db2.gz WFXIORLKEJXFID-ZDUSSCGKSA-N -1 3 310.361 2.759 20 0 DFADHM CCc1ccc([C@@H]2CCCN2c2ncccc2-c2nn[n-]n2)o1 ZINC000736689361 599266716 /nfs/dbraw/zinc/26/67/16/599266716.db2.gz WFXIORLKEJXFID-ZDUSSCGKSA-N -1 3 310.361 2.759 20 0 DFADHM Cc1cc(F)cc(NC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000822203345 607319537 /nfs/dbraw/zinc/31/95/37/607319537.db2.gz PKHKOPQEPYTAIN-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cc(F)cc(NC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000822203345 607319538 /nfs/dbraw/zinc/31/95/38/607319538.db2.gz PKHKOPQEPYTAIN-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM O=C([O-])C1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000821511573 598121536 /nfs/dbraw/zinc/12/15/36/598121536.db2.gz ZNPVELRMMAPIFV-UHFFFAOYSA-N -1 3 303.387 2.502 20 0 DFADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CN(C)CCC(=O)[O-] ZINC000821196955 598127794 /nfs/dbraw/zinc/12/77/94/598127794.db2.gz SSTLZJNBLYRNQI-UHFFFAOYSA-N -1 3 305.353 2.535 20 0 DFADHM Cc1cn(Cc2cc(-c3ccc(C)cc3)no2)cc1-c1nnn[n-]1 ZINC000822213914 607330206 /nfs/dbraw/zinc/33/02/06/607330206.db2.gz GSWQEVKZCUHNIK-UHFFFAOYSA-N -1 3 320.356 2.988 20 0 DFADHM Cc1cn(Cc2cc(-c3ccc(C)cc3)no2)cc1-c1nn[n-]n1 ZINC000822213914 607330207 /nfs/dbraw/zinc/33/02/07/607330207.db2.gz GSWQEVKZCUHNIK-UHFFFAOYSA-N -1 3 320.356 2.988 20 0 DFADHM Cc1cn(Cc2csc(Br)c2)cc1-c1nnn[n-]1 ZINC000822383804 607330943 /nfs/dbraw/zinc/33/09/43/607330943.db2.gz CXORLDBVACSSLK-UHFFFAOYSA-N -1 3 324.207 2.849 20 0 DFADHM Cc1cn(Cc2csc(Br)c2)cc1-c1nn[n-]n1 ZINC000822383804 607330944 /nfs/dbraw/zinc/33/09/44/607330944.db2.gz CXORLDBVACSSLK-UHFFFAOYSA-N -1 3 324.207 2.849 20 0 DFADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000820147828 598191911 /nfs/dbraw/zinc/19/19/11/598191911.db2.gz HXAHIDXRZFPWNE-YTEVENLXSA-N -1 3 317.410 2.973 20 0 DFADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000820147827 598191941 /nfs/dbraw/zinc/19/19/41/598191941.db2.gz HXAHIDXRZFPWNE-VERVWZFWSA-N -1 3 317.410 2.973 20 0 DFADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C ZINC000263396459 598192599 /nfs/dbraw/zinc/19/25/99/598192599.db2.gz GVMWGCPNULPSOV-LBPRGKRZSA-N -1 3 324.380 2.755 20 0 DFADHM CC(C)[C@@H](N[C@@H](C)c1ncc(Br)s1)C(=O)[O-] ZINC000820148310 598197683 /nfs/dbraw/zinc/19/76/83/598197683.db2.gz NLQOENMGHPHMNN-POYBYMJQSA-N -1 3 307.213 2.665 20 0 DFADHM O=C([O-])c1ccnc(NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000821552552 598218780 /nfs/dbraw/zinc/21/87/80/598218780.db2.gz BTNVJORYEOWYGG-ZDUSSCGKSA-N -1 3 301.346 2.622 20 0 DFADHM Fc1cccc(Sc2ncc3ccccn32)c1-c1nnn[n-]1 ZINC000737663144 598236232 /nfs/dbraw/zinc/23/62/32/598236232.db2.gz GTKYUFCITQJOLP-UHFFFAOYSA-N -1 3 312.333 2.805 20 0 DFADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736326649 598240602 /nfs/dbraw/zinc/24/06/02/598240602.db2.gz CBGALRVLHMKEPJ-NEPJUHHUSA-N -1 3 313.405 2.906 20 0 DFADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736326649 598240605 /nfs/dbraw/zinc/24/06/05/598240605.db2.gz CBGALRVLHMKEPJ-NEPJUHHUSA-N -1 3 313.405 2.906 20 0 DFADHM Fc1ccc(F)c(CNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737660127 598244100 /nfs/dbraw/zinc/24/41/00/598244100.db2.gz NLTYQCGEUAFMBT-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(F)c(CNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737660127 598244101 /nfs/dbraw/zinc/24/41/01/598244101.db2.gz NLTYQCGEUAFMBT-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1nc(C)cs1 ZINC000736368662 598244834 /nfs/dbraw/zinc/24/48/34/598244834.db2.gz IJXAGTATTSIMAO-JTQLQIEISA-N -1 3 301.379 2.590 20 0 DFADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1nc(C)cs1 ZINC000736368662 598244836 /nfs/dbraw/zinc/24/48/36/598244836.db2.gz IJXAGTATTSIMAO-JTQLQIEISA-N -1 3 301.379 2.590 20 0 DFADHM CCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736576622 598266874 /nfs/dbraw/zinc/26/68/74/598266874.db2.gz WWTDDYJAXLFLTB-UHFFFAOYSA-N -1 3 324.344 2.800 20 0 DFADHM CCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736576622 598266875 /nfs/dbraw/zinc/26/68/75/598266875.db2.gz WWTDDYJAXLFLTB-UHFFFAOYSA-N -1 3 324.344 2.800 20 0 DFADHM CCC1(C)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736394777 598280881 /nfs/dbraw/zinc/28/08/81/598280881.db2.gz FAZWOURDRZFLIL-UHFFFAOYSA-N -1 3 314.393 2.911 20 0 DFADHM CCC1(C)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736394777 598280883 /nfs/dbraw/zinc/28/08/83/598280883.db2.gz FAZWOURDRZFLIL-UHFFFAOYSA-N -1 3 314.393 2.911 20 0 DFADHM CN(C(=O)C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731774 598311140 /nfs/dbraw/zinc/31/11/40/598311140.db2.gz HJKJQXPOGCHTSZ-JXMROGBWSA-N -1 3 323.331 2.682 20 0 DFADHM CN(C(=O)C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731774 598311142 /nfs/dbraw/zinc/31/11/42/598311142.db2.gz HJKJQXPOGCHTSZ-JXMROGBWSA-N -1 3 323.331 2.682 20 0 DFADHM Cc1cc(F)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822205668 607354075 /nfs/dbraw/zinc/35/40/75/607354075.db2.gz DFUXAEVZSHQUEL-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cc(F)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822205668 607354076 /nfs/dbraw/zinc/35/40/76/607354076.db2.gz DFUXAEVZSHQUEL-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM FC(F)Oc1ccccc1Oc1ccc(-c2nnn[n-]2)cn1 ZINC000737638592 598363932 /nfs/dbraw/zinc/36/39/32/598363932.db2.gz GBFHZGQXBMYVQY-UHFFFAOYSA-N -1 3 305.244 2.655 20 0 DFADHM FC(F)Oc1ccccc1Oc1ccc(-c2nn[n-]n2)cn1 ZINC000737638592 598363933 /nfs/dbraw/zinc/36/39/33/598363933.db2.gz GBFHZGQXBMYVQY-UHFFFAOYSA-N -1 3 305.244 2.655 20 0 DFADHM C[C@@H](C1CC1)N(C(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000735963121 598374939 /nfs/dbraw/zinc/37/49/39/598374939.db2.gz AOVSLIOVKMQVFN-JTQLQIEISA-N -1 3 312.377 2.662 20 0 DFADHM C[C@@H](C1CC1)N(C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000735963121 598374942 /nfs/dbraw/zinc/37/49/42/598374942.db2.gz AOVSLIOVKMQVFN-JTQLQIEISA-N -1 3 312.377 2.662 20 0 DFADHM Clc1cc(-c2nnn[n-]2)ccc1Oc1ncnc2c1CCC2 ZINC000737565845 598377386 /nfs/dbraw/zinc/37/73/86/598377386.db2.gz YGLSOGHUSUMQOY-UHFFFAOYSA-N -1 3 314.736 2.591 20 0 DFADHM Clc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2c1CCC2 ZINC000737565845 598377388 /nfs/dbraw/zinc/37/73/88/598377388.db2.gz YGLSOGHUSUMQOY-UHFFFAOYSA-N -1 3 314.736 2.591 20 0 DFADHM CC1(C)CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736210917 598378284 /nfs/dbraw/zinc/37/82/84/598378284.db2.gz ILWFJPQDYCVGAP-UHFFFAOYSA-N -1 3 316.434 2.686 20 0 DFADHM CC1(C)CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736210917 598378285 /nfs/dbraw/zinc/37/82/85/598378285.db2.gz ILWFJPQDYCVGAP-UHFFFAOYSA-N -1 3 316.434 2.686 20 0 DFADHM COc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737096797 598385157 /nfs/dbraw/zinc/38/51/57/598385157.db2.gz YUNDNUPCNAAXMS-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737096797 598385159 /nfs/dbraw/zinc/38/51/59/598385159.db2.gz YUNDNUPCNAAXMS-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCc2sccc2C1 ZINC000737557642 598388329 /nfs/dbraw/zinc/38/83/29/598388329.db2.gz GRYFRZZCOFCOTK-UHFFFAOYSA-N -1 3 318.793 2.539 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCc2sccc2C1 ZINC000737557642 598388331 /nfs/dbraw/zinc/38/83/31/598388331.db2.gz GRYFRZZCOFCOTK-UHFFFAOYSA-N -1 3 318.793 2.539 20 0 DFADHM CC1(C)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736210355 598397366 /nfs/dbraw/zinc/39/73/66/598397366.db2.gz FBJQWGAQKMVQIS-UHFFFAOYSA-N -1 3 300.366 2.521 20 0 DFADHM CC1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736210355 598397368 /nfs/dbraw/zinc/39/73/68/598397368.db2.gz FBJQWGAQKMVQIS-UHFFFAOYSA-N -1 3 300.366 2.521 20 0 DFADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737371290 598399169 /nfs/dbraw/zinc/39/91/69/598399169.db2.gz AZAAPMNROHTDEI-MRXNPFEDSA-N -1 3 319.368 2.592 20 0 DFADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737371290 598399170 /nfs/dbraw/zinc/39/91/70/598399170.db2.gz AZAAPMNROHTDEI-MRXNPFEDSA-N -1 3 319.368 2.592 20 0 DFADHM Cc1cccc(N(C)CCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737396293 598421923 /nfs/dbraw/zinc/42/19/23/598421923.db2.gz FXBPGSZAAMPKAW-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM Cc1cccc(N(C)CCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737396293 598421924 /nfs/dbraw/zinc/42/19/24/598421924.db2.gz FXBPGSZAAMPKAW-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM Cc1ccc(F)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737344257 598426761 /nfs/dbraw/zinc/42/67/61/598426761.db2.gz CIBQHKWOCZNXGM-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccc(F)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737344257 598426763 /nfs/dbraw/zinc/42/67/63/598426763.db2.gz CIBQHKWOCZNXGM-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735997835 598445311 /nfs/dbraw/zinc/44/53/11/598445311.db2.gz HDTMAYITKLFWDR-CYBMUJFWSA-N -1 3 321.384 2.742 20 0 DFADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735997835 598445314 /nfs/dbraw/zinc/44/53/14/598445314.db2.gz HDTMAYITKLFWDR-CYBMUJFWSA-N -1 3 321.384 2.742 20 0 DFADHM CCCCCCOCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736447544 598452658 /nfs/dbraw/zinc/45/26/58/598452658.db2.gz QMDKQFPFIUSKGL-UHFFFAOYSA-N -1 3 321.356 2.541 20 0 DFADHM CCCCCCOCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736447544 598452661 /nfs/dbraw/zinc/45/26/61/598452661.db2.gz QMDKQFPFIUSKGL-UHFFFAOYSA-N -1 3 321.356 2.541 20 0 DFADHM Cc1ccccc1N(C(=O)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC000737427871 598454218 /nfs/dbraw/zinc/45/42/18/598454218.db2.gz HTLHBGAEIBWYTC-UHFFFAOYSA-N -1 3 322.372 2.625 20 0 DFADHM Cc1ccccc1N(C(=O)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC000737427871 598454219 /nfs/dbraw/zinc/45/42/19/598454219.db2.gz HTLHBGAEIBWYTC-UHFFFAOYSA-N -1 3 322.372 2.625 20 0 DFADHM C[C@H](OC(=O)CCC(C)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000736147097 598484201 /nfs/dbraw/zinc/48/42/01/598484201.db2.gz AMFMMQBKQTXXTO-VIFPVBQESA-N -1 3 310.304 2.906 20 0 DFADHM C[C@H](OC(=O)CCC(C)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000736147097 598484203 /nfs/dbraw/zinc/48/42/03/598484203.db2.gz AMFMMQBKQTXXTO-VIFPVBQESA-N -1 3 310.304 2.906 20 0 DFADHM CCCCS[C@H](C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736462353 598484837 /nfs/dbraw/zinc/48/48/37/598484837.db2.gz DOJCWXQRDRBTMC-LLVKDONJSA-N -1 3 320.418 2.832 20 0 DFADHM CCCCS[C@H](C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736462353 598484839 /nfs/dbraw/zinc/48/48/39/598484839.db2.gz DOJCWXQRDRBTMC-LLVKDONJSA-N -1 3 320.418 2.832 20 0 DFADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)[nH]1 ZINC000737237644 598488394 /nfs/dbraw/zinc/48/83/94/598488394.db2.gz BKSOIPKHEHGHFM-NSHDSACASA-N -1 3 311.345 2.730 20 0 DFADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)[nH]1 ZINC000737237644 598488396 /nfs/dbraw/zinc/48/83/96/598488396.db2.gz BKSOIPKHEHGHFM-NSHDSACASA-N -1 3 311.345 2.730 20 0 DFADHM COc1cccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737120435 598489319 /nfs/dbraw/zinc/48/93/19/598489319.db2.gz AGTLEJPPADZYKT-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM COc1cccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737120435 598489320 /nfs/dbraw/zinc/48/93/20/598489320.db2.gz AGTLEJPPADZYKT-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM C[C@@H](OC(=O)Cc1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154939 598490895 /nfs/dbraw/zinc/49/08/95/598490895.db2.gz DBUYOHIMBDKCRE-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM C[C@@H](OC(=O)Cc1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154939 598490896 /nfs/dbraw/zinc/49/08/96/598490896.db2.gz DBUYOHIMBDKCRE-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM Cc1ccc(C)c([S@](=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737325383 598491006 /nfs/dbraw/zinc/49/10/06/598491006.db2.gz FNVQLJQAHMMLJE-JOCHJYFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1ccc(C)c([S@](=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737325383 598491007 /nfs/dbraw/zinc/49/10/07/598491007.db2.gz FNVQLJQAHMMLJE-JOCHJYFZSA-N -1 3 312.398 2.791 20 0 DFADHM CCc1c(C)sc(NC(=O)c2ccoc2C)c1-c1nnn[n-]1 ZINC000736677025 598517558 /nfs/dbraw/zinc/51/75/58/598517558.db2.gz YJMULUPWARGBBC-UHFFFAOYSA-N -1 3 317.374 2.953 20 0 DFADHM CCc1c(C)sc(NC(=O)c2ccoc2C)c1-c1nn[n-]n1 ZINC000736677025 598517560 /nfs/dbraw/zinc/51/75/60/598517560.db2.gz YJMULUPWARGBBC-UHFFFAOYSA-N -1 3 317.374 2.953 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(Cl)ccc1F ZINC000738191435 598532306 /nfs/dbraw/zinc/53/23/06/598532306.db2.gz KQMLXKJOZXKOGI-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(Cl)ccc1F ZINC000738191435 598532308 /nfs/dbraw/zinc/53/23/08/598532308.db2.gz KQMLXKJOZXKOGI-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM Cc1ccc(C)c(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737323665 598538058 /nfs/dbraw/zinc/53/80/58/598538058.db2.gz UQTVMUNQNPDZBP-UHFFFAOYSA-N -1 3 308.341 2.632 20 0 DFADHM Cc1ccc(C)c(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737323665 598538060 /nfs/dbraw/zinc/53/80/60/598538060.db2.gz UQTVMUNQNPDZBP-UHFFFAOYSA-N -1 3 308.341 2.632 20 0 DFADHM Cc1ncsc1CN(C)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737504198 598538106 /nfs/dbraw/zinc/53/81/06/598538106.db2.gz WBGVMTFFPMVSNO-UHFFFAOYSA-N -1 3 322.344 2.546 20 0 DFADHM Cc1ncsc1CN(C)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737504198 598538107 /nfs/dbraw/zinc/53/81/07/598538107.db2.gz WBGVMTFFPMVSNO-UHFFFAOYSA-N -1 3 322.344 2.546 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc(Cl)ccc1F ZINC000738207912 598541238 /nfs/dbraw/zinc/54/12/38/598541238.db2.gz JMYFEUAZYJSJAQ-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc(Cl)ccc1F ZINC000738207912 598541239 /nfs/dbraw/zinc/54/12/39/598541239.db2.gz JMYFEUAZYJSJAQ-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2sccc2-c2nnn[n-]2)s1 ZINC000737339817 598543109 /nfs/dbraw/zinc/54/31/09/598543109.db2.gz BTVMOTGXBCMXRC-UHFFFAOYSA-N -1 3 319.415 2.570 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2sccc2-c2nn[n-]n2)s1 ZINC000737339817 598543110 /nfs/dbraw/zinc/54/31/10/598543110.db2.gz BTVMOTGXBCMXRC-UHFFFAOYSA-N -1 3 319.415 2.570 20 0 DFADHM Cc1ccc(SCC(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000737368980 598569283 /nfs/dbraw/zinc/56/92/83/598569283.db2.gz OXCLAUSJPINQOO-UHFFFAOYSA-N -1 3 311.370 2.545 20 0 DFADHM Cc1ccc(SCC(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737368980 598569285 /nfs/dbraw/zinc/56/92/85/598569285.db2.gz OXCLAUSJPINQOO-UHFFFAOYSA-N -1 3 311.370 2.545 20 0 DFADHM Cc1ccc(F)cc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737344125 598587837 /nfs/dbraw/zinc/58/78/37/598587837.db2.gz AWQRVDQNYNOMSG-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccc(F)cc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737344125 598587838 /nfs/dbraw/zinc/58/78/38/598587838.db2.gz AWQRVDQNYNOMSG-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)s1 ZINC000737238966 598589053 /nfs/dbraw/zinc/58/90/53/598589053.db2.gz VTYTUKGURHBECB-UHFFFAOYSA-N -1 3 317.349 2.936 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)s1 ZINC000737238966 598589055 /nfs/dbraw/zinc/58/90/55/598589055.db2.gz VTYTUKGURHBECB-UHFFFAOYSA-N -1 3 317.349 2.936 20 0 DFADHM Cc1cccn2cc(CNc3ccc(F)c(-c4nnn[n-]4)c3)nc12 ZINC000737436336 598602694 /nfs/dbraw/zinc/60/26/94/598602694.db2.gz RLNZXDDOIWMSIM-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cccn2cc(CNc3ccc(F)c(-c4nn[n-]n4)c3)nc12 ZINC000737436336 598602696 /nfs/dbraw/zinc/60/26/96/598602696.db2.gz RLNZXDDOIWMSIM-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1O ZINC000826269736 607362422 /nfs/dbraw/zinc/36/24/22/607362422.db2.gz VNWBHBPNQGIMMG-TWGQIWQCSA-N -1 3 321.340 2.533 20 0 DFADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1O ZINC000826269736 607362423 /nfs/dbraw/zinc/36/24/23/607362423.db2.gz VNWBHBPNQGIMMG-TWGQIWQCSA-N -1 3 321.340 2.533 20 0 DFADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(C(C)(C)C)no1 ZINC000736169444 598609502 /nfs/dbraw/zinc/60/95/02/598609502.db2.gz NLLQZMNNENHYEH-VIFPVBQESA-N -1 3 314.349 2.687 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N(C1CC1)C1CCCC1 ZINC000738177373 598623309 /nfs/dbraw/zinc/62/33/09/598623309.db2.gz JSWKKDZORLSZBR-UHFFFAOYSA-N -1 3 312.377 2.806 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N(C1CC1)C1CCCC1 ZINC000738177373 598623311 /nfs/dbraw/zinc/62/33/11/598623311.db2.gz JSWKKDZORLSZBR-UHFFFAOYSA-N -1 3 312.377 2.806 20 0 DFADHM CCC[C@@H](CC)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736421261 598627533 /nfs/dbraw/zinc/62/75/33/598627533.db2.gz AGTDQPLPPBMZPL-SECBINFHSA-N -1 3 306.345 2.706 20 0 DFADHM CCC[C@@H](CC)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736421261 598627535 /nfs/dbraw/zinc/62/75/35/598627535.db2.gz AGTDQPLPPBMZPL-SECBINFHSA-N -1 3 306.345 2.706 20 0 DFADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000736361751 598627543 /nfs/dbraw/zinc/62/75/43/598627543.db2.gz HTZZNABYASNEEG-LBPRGKRZSA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000736361751 598627545 /nfs/dbraw/zinc/62/75/45/598627545.db2.gz HTZZNABYASNEEG-LBPRGKRZSA-N -1 3 306.345 2.562 20 0 DFADHM Fc1ccc(N2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000737660846 598629543 /nfs/dbraw/zinc/62/95/43/598629543.db2.gz SLFGOFDGTTXDFX-QMMMGPOBSA-N -1 3 315.274 2.785 20 0 DFADHM Fc1ccc(N2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000737660846 598629545 /nfs/dbraw/zinc/62/95/45/598629545.db2.gz SLFGOFDGTTXDFX-QMMMGPOBSA-N -1 3 315.274 2.785 20 0 DFADHM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736271423 598630507 /nfs/dbraw/zinc/63/05/07/598630507.db2.gz NIQXSEKVDOSLBJ-RNCFNFMXSA-N -1 3 318.356 2.706 20 0 DFADHM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736271423 598630509 /nfs/dbraw/zinc/63/05/09/598630509.db2.gz NIQXSEKVDOSLBJ-RNCFNFMXSA-N -1 3 318.356 2.706 20 0 DFADHM CN(CCc1ccccn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736807983 598636011 /nfs/dbraw/zinc/63/60/11/598636011.db2.gz YTGYFUZEKULFEU-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM CN(CCc1ccccn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736807983 598636013 /nfs/dbraw/zinc/63/60/13/598636013.db2.gz YTGYFUZEKULFEU-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM Clc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)o1 ZINC000737578190 598636703 /nfs/dbraw/zinc/63/67/03/598636703.db2.gz YXRWQQLBLMMEHY-UHFFFAOYSA-N -1 3 311.132 2.774 20 0 DFADHM Clc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)o1 ZINC000737578190 598636705 /nfs/dbraw/zinc/63/67/05/598636705.db2.gz YXRWQQLBLMMEHY-UHFFFAOYSA-N -1 3 311.132 2.774 20 0 DFADHM CC[C@H](C)[C@@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736325954 598656770 /nfs/dbraw/zinc/65/67/70/598656770.db2.gz AFHFBAMGANHBMB-WDEREUQCSA-N -1 3 319.434 2.510 20 0 DFADHM CC[C@H](C)[C@@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736325954 598656771 /nfs/dbraw/zinc/65/67/71/598656771.db2.gz AFHFBAMGANHBMB-WDEREUQCSA-N -1 3 319.434 2.510 20 0 DFADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735749050 598661549 /nfs/dbraw/zinc/66/15/49/598661549.db2.gz LJJRABBFRPLOQI-PWSUYJOCSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735749050 598661551 /nfs/dbraw/zinc/66/15/51/598661551.db2.gz LJJRABBFRPLOQI-PWSUYJOCSA-N -1 3 319.434 2.873 20 0 DFADHM CCC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736417714 598662838 /nfs/dbraw/zinc/66/28/38/598662838.db2.gz VFMHSVYLQQKDTD-CQSZACIVSA-N -1 3 322.372 2.784 20 0 DFADHM CCC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736417714 598662840 /nfs/dbraw/zinc/66/28/40/598662840.db2.gz VFMHSVYLQQKDTD-CQSZACIVSA-N -1 3 322.372 2.784 20 0 DFADHM Clc1cc(NCCOC2CCCC2)ccc1-c1nnn[n-]1 ZINC000737564742 598665850 /nfs/dbraw/zinc/66/58/50/598665850.db2.gz JUNVHQSYPOBTGL-UHFFFAOYSA-N -1 3 307.785 2.891 20 0 DFADHM Clc1cc(NCCOC2CCCC2)ccc1-c1nn[n-]n1 ZINC000737564742 598665851 /nfs/dbraw/zinc/66/58/51/598665851.db2.gz JUNVHQSYPOBTGL-UHFFFAOYSA-N -1 3 307.785 2.891 20 0 DFADHM COc1ccc2c(c1)CCCN(c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737119702 598673250 /nfs/dbraw/zinc/67/32/50/598673250.db2.gz SVOKQOCJRNASGA-UHFFFAOYSA-N -1 3 321.384 2.828 20 0 DFADHM CC(C)c1ccccc1OCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735932980 598681054 /nfs/dbraw/zinc/68/10/54/598681054.db2.gz RAHZTZPPZOHGKW-UHFFFAOYSA-N -1 3 324.388 2.876 20 0 DFADHM CC(C)c1ccccc1OCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735932980 598681055 /nfs/dbraw/zinc/68/10/55/598681055.db2.gz RAHZTZPPZOHGKW-UHFFFAOYSA-N -1 3 324.388 2.876 20 0 DFADHM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000736288792 598707108 /nfs/dbraw/zinc/70/71/08/598707108.db2.gz UIDHHMZBCPKANX-LBPRGKRZSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000736288792 598707110 /nfs/dbraw/zinc/70/71/10/598707110.db2.gz UIDHHMZBCPKANX-LBPRGKRZSA-N -1 3 307.357 2.654 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC000737238785 598737978 /nfs/dbraw/zinc/73/79/78/598737978.db2.gz TYMSLQVBQLUSRR-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC000737238785 598737979 /nfs/dbraw/zinc/73/79/79/598737979.db2.gz TYMSLQVBQLUSRR-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc([C@@H](C)O)cc2)n1 ZINC000737239639 598746195 /nfs/dbraw/zinc/74/61/95/598746195.db2.gz FATJMJDGZNSIOG-GFCCVEGCSA-N -1 3 324.388 2.544 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2ccc([C@@H](C)O)cc2)n1 ZINC000737239639 598746196 /nfs/dbraw/zinc/74/61/96/598746196.db2.gz FATJMJDGZNSIOG-GFCCVEGCSA-N -1 3 324.388 2.544 20 0 DFADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cn1 ZINC000737342081 598793498 /nfs/dbraw/zinc/79/34/98/598793498.db2.gz KGTOOKWDVCUITM-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000737342081 598793499 /nfs/dbraw/zinc/79/34/99/598793499.db2.gz KGTOOKWDVCUITM-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CC[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1OC ZINC000736367996 598814208 /nfs/dbraw/zinc/81/42/08/598814208.db2.gz FNGIWYHSGBUPQW-ZDUSSCGKSA-N -1 3 310.361 2.834 20 0 DFADHM CC[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1OC ZINC000736367996 598814207 /nfs/dbraw/zinc/81/42/07/598814207.db2.gz FNGIWYHSGBUPQW-ZDUSSCGKSA-N -1 3 310.361 2.834 20 0 DFADHM C[C@@H]1CC[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)[C@H](C)C1 ZINC000736245476 598817014 /nfs/dbraw/zinc/81/70/14/598817014.db2.gz SDUPAINOLBVHPC-JTNHKYCSSA-N -1 3 312.421 2.987 20 0 DFADHM C[C@@H]1CC[C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)[C@H](C)C1 ZINC000736245476 598817016 /nfs/dbraw/zinc/81/70/16/598817016.db2.gz SDUPAINOLBVHPC-JTNHKYCSSA-N -1 3 312.421 2.987 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1COc1cccnc1Cl ZINC000737639823 599306511 /nfs/dbraw/zinc/30/65/11/599306511.db2.gz GVMRYMVOJRCZOZ-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1COc1cccnc1Cl ZINC000737639823 599306512 /nfs/dbraw/zinc/30/65/12/599306512.db2.gz GVMRYMVOJRCZOZ-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM COc1cccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000821854737 599308916 /nfs/dbraw/zinc/30/89/16/599308916.db2.gz TWJUXDCUNVAOPV-UHFFFAOYSA-N -1 3 320.312 2.592 20 0 DFADHM COc1cccc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000821854737 599308919 /nfs/dbraw/zinc/30/89/19/599308919.db2.gz TWJUXDCUNVAOPV-UHFFFAOYSA-N -1 3 320.312 2.592 20 0 DFADHM CCN(C(=O)c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508450 599312823 /nfs/dbraw/zinc/31/28/23/599312823.db2.gz LYCREIHDMUNILZ-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCN(C(=O)c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508450 599312827 /nfs/dbraw/zinc/31/28/27/599312827.db2.gz LYCREIHDMUNILZ-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCN(C(=O)Cc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504892 599313909 /nfs/dbraw/zinc/31/39/09/599313909.db2.gz ITZHNJWOCDAQTP-UHFFFAOYSA-N -1 3 313.386 2.524 20 0 DFADHM CCN(C(=O)Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504892 599313912 /nfs/dbraw/zinc/31/39/12/599313912.db2.gz ITZHNJWOCDAQTP-UHFFFAOYSA-N -1 3 313.386 2.524 20 0 DFADHM Cc1cnc([C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CC2)s1 ZINC000737445428 599321574 /nfs/dbraw/zinc/32/15/74/599321574.db2.gz HDTNRGOOTKWQBW-LBPRGKRZSA-N -1 3 313.390 2.590 20 0 DFADHM Cc1cnc([C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)s1 ZINC000737445428 599321575 /nfs/dbraw/zinc/32/15/75/599321575.db2.gz HDTNRGOOTKWQBW-LBPRGKRZSA-N -1 3 313.390 2.590 20 0 DFADHM Cc1nc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000737478480 599327102 /nfs/dbraw/zinc/32/71/02/599327102.db2.gz UXRKFHFXTVDTRX-MRVPVSSYSA-N -1 3 302.363 2.553 20 0 DFADHM Cc1nc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000737478480 599327105 /nfs/dbraw/zinc/32/71/05/599327105.db2.gz UXRKFHFXTVDTRX-MRVPVSSYSA-N -1 3 302.363 2.553 20 0 DFADHM CCCCNC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736459940 599328534 /nfs/dbraw/zinc/32/85/34/599328534.db2.gz BSSUTHSSICAPPU-LLVKDONJSA-N -1 3 319.434 2.577 20 0 DFADHM CCCCNC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736459940 599328537 /nfs/dbraw/zinc/32/85/37/599328537.db2.gz BSSUTHSSICAPPU-LLVKDONJSA-N -1 3 319.434 2.577 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CSC[C@@H]1CCCOC1 ZINC000821749480 607370218 /nfs/dbraw/zinc/37/02/18/607370218.db2.gz NXKTWKBEOXSIMH-LLVKDONJSA-N -1 3 320.418 2.535 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSC[C@@H]1CCCOC1 ZINC000821749480 607370219 /nfs/dbraw/zinc/37/02/19/607370219.db2.gz NXKTWKBEOXSIMH-LLVKDONJSA-N -1 3 320.418 2.535 20 0 DFADHM CCCCOC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000821071435 599347100 /nfs/dbraw/zinc/34/71/00/599347100.db2.gz DXYSXQQOTAGPPF-SNVBAGLBSA-N -1 3 306.391 2.691 20 0 DFADHM CCCCOC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000821071435 599347103 /nfs/dbraw/zinc/34/71/03/599347103.db2.gz DXYSXQQOTAGPPF-SNVBAGLBSA-N -1 3 306.391 2.691 20 0 DFADHM Cc1ncsc1CCSc1ccccc1-c1nnn[n-]1 ZINC000822482312 599348410 /nfs/dbraw/zinc/34/84/10/599348410.db2.gz PGQJWIQYCSGTPK-UHFFFAOYSA-N -1 3 303.416 2.966 20 0 DFADHM Cc1ncsc1CCSc1ccccc1-c1nn[n-]n1 ZINC000822482312 599348413 /nfs/dbraw/zinc/34/84/13/599348413.db2.gz PGQJWIQYCSGTPK-UHFFFAOYSA-N -1 3 303.416 2.966 20 0 DFADHM Clc1cc(N2CCC3(C2)CCOCC3)ccc1-c1nnn[n-]1 ZINC000822568830 599358146 /nfs/dbraw/zinc/35/81/46/599358146.db2.gz YIRROAGCIXUZQS-UHFFFAOYSA-N -1 3 319.796 2.527 20 0 DFADHM Clc1cc(N2CCC3(C2)CCOCC3)ccc1-c1nn[n-]n1 ZINC000822568830 599358148 /nfs/dbraw/zinc/35/81/48/599358148.db2.gz YIRROAGCIXUZQS-UHFFFAOYSA-N -1 3 319.796 2.527 20 0 DFADHM Cc1cccc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)n1 ZINC000737397599 599367728 /nfs/dbraw/zinc/36/77/28/599367728.db2.gz ZJYCAKYZUJQWGH-UHFFFAOYSA-N -1 3 312.402 2.874 20 0 DFADHM Cc1cccc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)n1 ZINC000737397599 599367730 /nfs/dbraw/zinc/36/77/30/599367730.db2.gz ZJYCAKYZUJQWGH-UHFFFAOYSA-N -1 3 312.402 2.874 20 0 DFADHM C[C@H](CCC(C)(C)C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735987032 599380939 /nfs/dbraw/zinc/38/09/39/599380939.db2.gz WNTZOUWNLILDAD-LLVKDONJSA-N -1 3 301.394 2.811 20 0 DFADHM C[C@H](CCC(C)(C)C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735987032 599380941 /nfs/dbraw/zinc/38/09/41/599380941.db2.gz WNTZOUWNLILDAD-LLVKDONJSA-N -1 3 301.394 2.811 20 0 DFADHM CCc1nc(CN(C)c2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000821509673 599495103 /nfs/dbraw/zinc/49/51/03/599495103.db2.gz KZZHCYIASVSQNO-UHFFFAOYSA-N -1 3 318.381 2.661 20 0 DFADHM CCc1nc(CN(C)c2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000821509673 599495105 /nfs/dbraw/zinc/49/51/05/599495105.db2.gz KZZHCYIASVSQNO-UHFFFAOYSA-N -1 3 318.381 2.661 20 0 DFADHM CC(C)n1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000735965385 599531989 /nfs/dbraw/zinc/53/19/89/599531989.db2.gz KTLDXOPHDDINRX-UHFFFAOYSA-N -1 3 317.784 2.910 20 0 DFADHM CC(C)n1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000735965385 599531991 /nfs/dbraw/zinc/53/19/91/599531991.db2.gz KTLDXOPHDDINRX-UHFFFAOYSA-N -1 3 317.784 2.910 20 0 DFADHM C[C@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1cccs1 ZINC000735570658 599538983 /nfs/dbraw/zinc/53/89/83/599538983.db2.gz OROKDVUUOITJGH-ZETCQYMHSA-N -1 3 305.388 2.732 20 0 DFADHM C[C@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1cccs1 ZINC000735570658 599538984 /nfs/dbraw/zinc/53/89/84/599538984.db2.gz OROKDVUUOITJGH-ZETCQYMHSA-N -1 3 305.388 2.732 20 0 DFADHM Cc1cc(C)cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196287 599542639 /nfs/dbraw/zinc/54/26/39/599542639.db2.gz CJUASLINVADORW-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cc(C)cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196287 599542641 /nfs/dbraw/zinc/54/26/41/599542641.db2.gz CJUASLINVADORW-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822248771 599551707 /nfs/dbraw/zinc/55/17/07/599551707.db2.gz MXYYNAIWXDFKDO-UHFFFAOYSA-N -1 3 314.374 2.558 20 0 DFADHM Cc1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822248771 599551708 /nfs/dbraw/zinc/55/17/08/599551708.db2.gz MXYYNAIWXDFKDO-UHFFFAOYSA-N -1 3 314.374 2.558 20 0 DFADHM Fc1ccc(CCNc2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000822765919 599554300 /nfs/dbraw/zinc/55/43/00/599554300.db2.gz BAMHFIQKLNNNGC-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1ccc(CCNc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000822765919 599554301 /nfs/dbraw/zinc/55/43/01/599554301.db2.gz BAMHFIQKLNNNGC-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820684813 599557257 /nfs/dbraw/zinc/55/72/57/599557257.db2.gz SFYXFVBJCBCXOR-MNOVXSKESA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820684813 599557259 /nfs/dbraw/zinc/55/72/59/599557259.db2.gz SFYXFVBJCBCXOR-MNOVXSKESA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820686044 599557542 /nfs/dbraw/zinc/55/75/42/599557542.db2.gz WMJDHBLCNYZZMX-WDEREUQCSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820686044 599557544 /nfs/dbraw/zinc/55/75/44/599557544.db2.gz WMJDHBLCNYZZMX-WDEREUQCSA-N -1 3 300.366 2.519 20 0 DFADHM OCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000823718154 599560168 /nfs/dbraw/zinc/56/01/68/599560168.db2.gz QTCCAXLJMBNHPO-OAHLLOKOSA-N -1 3 301.394 2.610 20 0 DFADHM Cc1ncc(CCNc2c(F)cc(-c3nnn[n-]3)cc2F)s1 ZINC000822467387 607383901 /nfs/dbraw/zinc/38/39/01/607383901.db2.gz MFVWBKRXUNBUEG-UHFFFAOYSA-N -1 3 322.344 2.564 20 0 DFADHM Cc1ncc(CCNc2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000822467387 607383903 /nfs/dbraw/zinc/38/39/03/607383903.db2.gz MFVWBKRXUNBUEG-UHFFFAOYSA-N -1 3 322.344 2.564 20 0 DFADHM CC(C)n1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)n1 ZINC000820214693 599565825 /nfs/dbraw/zinc/56/58/25/599565825.db2.gz MSSZMDQAMNPQLS-UHFFFAOYSA-N -1 3 317.784 2.910 20 0 DFADHM CC(C)n1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)n1 ZINC000820214693 599565826 /nfs/dbraw/zinc/56/58/26/599565826.db2.gz MSSZMDQAMNPQLS-UHFFFAOYSA-N -1 3 317.784 2.910 20 0 DFADHM O[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccsc1 ZINC000823689141 599567797 /nfs/dbraw/zinc/56/77/97/599567797.db2.gz BJHBBPWOHPNJHN-NSHDSACASA-N -1 3 321.793 2.727 20 0 DFADHM O[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccsc1 ZINC000823689141 599567798 /nfs/dbraw/zinc/56/77/98/599567798.db2.gz BJHBBPWOHPNJHN-NSHDSACASA-N -1 3 321.793 2.727 20 0 DFADHM CC(C)(C)OC(=O)CCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819928486 599572923 /nfs/dbraw/zinc/57/29/23/599572923.db2.gz QXECUBAKPJCKAL-UHFFFAOYSA-N -1 3 323.784 2.664 20 0 DFADHM CC(C)(C)OC(=O)CCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819928486 599572926 /nfs/dbraw/zinc/57/29/26/599572926.db2.gz QXECUBAKPJCKAL-UHFFFAOYSA-N -1 3 323.784 2.664 20 0 DFADHM C[C@H](O)CC(C)(C)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820475314 599585421 /nfs/dbraw/zinc/58/54/21/599585421.db2.gz ZXUHIOFOESEMMS-VIFPVBQESA-N -1 3 309.801 2.729 20 0 DFADHM C[C@H](O)CC(C)(C)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820475314 599585423 /nfs/dbraw/zinc/58/54/23/599585423.db2.gz ZXUHIOFOESEMMS-VIFPVBQESA-N -1 3 309.801 2.729 20 0 DFADHM CS[C@H]1CCCCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821956001 607385901 /nfs/dbraw/zinc/38/59/01/607385901.db2.gz DWBJZMDMJNZGDF-NSHDSACASA-N -1 3 307.398 2.728 20 0 DFADHM CCCCOCCCCOC(=O)c1sccc1-c1nnn[n-]1 ZINC000821071747 599626292 /nfs/dbraw/zinc/62/62/92/599626292.db2.gz LHTCFCJOHBCOQI-UHFFFAOYSA-N -1 3 324.406 2.682 20 0 DFADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(F)(F)F ZINC000819865371 599629291 /nfs/dbraw/zinc/62/92/91/599629291.db2.gz DEALYYBNHXSQJP-RXMQYKEDSA-N -1 3 319.674 2.657 20 0 DFADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(F)(F)F ZINC000819865371 599629292 /nfs/dbraw/zinc/62/92/92/599629292.db2.gz DEALYYBNHXSQJP-RXMQYKEDSA-N -1 3 319.674 2.657 20 0 DFADHM C[C@H](C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000819864991 599629360 /nfs/dbraw/zinc/62/93/60/599629360.db2.gz BQZPRYLXYMYHMI-RXMQYKEDSA-N -1 3 319.674 2.657 20 0 DFADHM C[C@H](C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000819864991 599629361 /nfs/dbraw/zinc/62/93/61/599629361.db2.gz BQZPRYLXYMYHMI-RXMQYKEDSA-N -1 3 319.674 2.657 20 0 DFADHM CCC(C)(C)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000820847573 599648206 /nfs/dbraw/zinc/64/82/06/599648206.db2.gz HJRKSPAYWRXPEU-UHFFFAOYSA-N -1 3 304.350 2.607 20 0 DFADHM CCC(C)(C)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000820847573 599648207 /nfs/dbraw/zinc/64/82/07/599648207.db2.gz HJRKSPAYWRXPEU-UHFFFAOYSA-N -1 3 304.350 2.607 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820966389 599655768 /nfs/dbraw/zinc/65/57/68/599655768.db2.gz DPGJRRSYEMASLC-BVUBYJHWSA-N -1 3 311.389 2.527 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820966389 599655769 /nfs/dbraw/zinc/65/57/69/599655769.db2.gz DPGJRRSYEMASLC-BVUBYJHWSA-N -1 3 311.389 2.527 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820690937 599664046 /nfs/dbraw/zinc/66/40/46/599664046.db2.gz UCXKOCUTRJFNOC-PWSUYJOCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820690937 599664047 /nfs/dbraw/zinc/66/40/47/599664047.db2.gz UCXKOCUTRJFNOC-PWSUYJOCSA-N -1 3 318.352 2.875 20 0 DFADHM CO[C@@]1(C)C[C@H](Nc2ccc(F)cc2-c2nnn[n-]2)C1(C)C ZINC000821677670 599688419 /nfs/dbraw/zinc/68/84/19/599688419.db2.gz BSSJYJKNQREBKB-WFASDCNBSA-N -1 3 305.357 2.621 20 0 DFADHM CO[C@@]1(C)C[C@H](Nc2ccc(F)cc2-c2nn[n-]n2)C1(C)C ZINC000821677670 599688420 /nfs/dbraw/zinc/68/84/20/599688420.db2.gz BSSJYJKNQREBKB-WFASDCNBSA-N -1 3 305.357 2.621 20 0 DFADHM CO[C@@]1(C)C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000821677862 599688494 /nfs/dbraw/zinc/68/84/94/599688494.db2.gz FUXBGGZHGATVKJ-DOMZBBRYSA-N -1 3 305.357 2.621 20 0 DFADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820966694 599692472 /nfs/dbraw/zinc/69/24/72/599692472.db2.gz GTAVNVREVZNPKK-MFKMUULPSA-N -1 3 314.393 2.827 20 0 DFADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820966694 599692473 /nfs/dbraw/zinc/69/24/73/599692473.db2.gz GTAVNVREVZNPKK-MFKMUULPSA-N -1 3 314.393 2.827 20 0 DFADHM CCCC[C@@H](C(=O)[O-])N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000736980525 599706981 /nfs/dbraw/zinc/70/69/81/599706981.db2.gz VJNJIUXCJDHYJW-INIZCTEOSA-N -1 3 324.465 2.744 20 0 DFADHM CCCC(=O)NC[C@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000736952984 599784411 /nfs/dbraw/zinc/78/44/11/599784411.db2.gz YXINSDBANDACGB-QWHCGFSZSA-N -1 3 322.405 2.667 20 0 DFADHM CC(C)N(C)CC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000736455069 599873154 /nfs/dbraw/zinc/87/31/54/599873154.db2.gz MNSWSYUMPIUQAG-UHFFFAOYSA-N -1 3 320.414 2.556 20 0 DFADHM CCc1nccn1[C@@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000737285446 599919766 /nfs/dbraw/zinc/91/97/66/599919766.db2.gz SRMLDSZTUNHMHG-GFCCVEGCSA-N -1 3 303.362 2.574 20 0 DFADHM CCc1nccn1[C@@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000737284339 599919949 /nfs/dbraw/zinc/91/99/49/599919949.db2.gz HLSOTEUWIKVDRH-CYBMUJFWSA-N -1 3 317.389 2.882 20 0 DFADHM Cc1cccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826297791 607409245 /nfs/dbraw/zinc/40/92/45/607409245.db2.gz SHLBOKCKHWSLOH-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM Cc1cccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826297791 607409247 /nfs/dbraw/zinc/40/92/47/607409247.db2.gz SHLBOKCKHWSLOH-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824899869 607426912 /nfs/dbraw/zinc/42/69/12/607426912.db2.gz PPBAKLAQCFRMIV-YGYTWAPGSA-N -1 3 323.400 2.718 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000824899869 607426913 /nfs/dbraw/zinc/42/69/13/607426913.db2.gz PPBAKLAQCFRMIV-YGYTWAPGSA-N -1 3 323.400 2.718 20 0 DFADHM CCC(C)(C)CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825039086 607427010 /nfs/dbraw/zinc/42/70/10/607427010.db2.gz MDFGFLOLYSLFKA-UHFFFAOYSA-N -1 3 313.405 2.798 20 0 DFADHM CCC(C)(C)CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825039086 607427011 /nfs/dbraw/zinc/42/70/11/607427011.db2.gz MDFGFLOLYSLFKA-UHFFFAOYSA-N -1 3 313.405 2.798 20 0 DFADHM CC(C)N(CCC(=O)[O-])CC(=O)N(c1ccccc1)C(C)C ZINC000314554857 600220886 /nfs/dbraw/zinc/22/08/86/600220886.db2.gz LCTZHXPSHANQAM-UHFFFAOYSA-N -1 3 306.406 2.613 20 0 DFADHM C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736598835 600330293 /nfs/dbraw/zinc/33/02/93/600330293.db2.gz PBJHNNIXJVHRGW-LBPRGKRZSA-N -1 3 322.405 2.730 20 0 DFADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000737267010 600370382 /nfs/dbraw/zinc/37/03/82/600370382.db2.gz LDTNMLXBVYVULK-CHWSQXEVSA-N -1 3 320.433 2.791 20 0 DFADHM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)N1CCCCCC1 ZINC000736211769 600383191 /nfs/dbraw/zinc/38/31/91/600383191.db2.gz NQVSIXYFSGDNMO-HOCLYGCPSA-N -1 3 318.417 2.583 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826282705 607444148 /nfs/dbraw/zinc/44/41/48/607444148.db2.gz AWMNEOXBDXGFJO-LLVKDONJSA-N -1 3 311.345 2.535 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826282705 607444149 /nfs/dbraw/zinc/44/41/49/607444149.db2.gz AWMNEOXBDXGFJO-LLVKDONJSA-N -1 3 311.345 2.535 20 0 DFADHM CC(C)N(CCC(=O)[O-])CC(=O)Nc1ccc2ccccc2c1 ZINC000736465441 600446015 /nfs/dbraw/zinc/44/60/15/600446015.db2.gz FPPDWIBAOYGLEQ-UHFFFAOYSA-N -1 3 314.385 2.963 20 0 DFADHM Cc1ccccc1OCCN[C@H](C(=O)[O-])c1ccccc1F ZINC000832981726 600741919 /nfs/dbraw/zinc/74/19/19/600741919.db2.gz PKVPIMGJCBAIJL-INIZCTEOSA-N -1 3 303.333 2.928 20 0 DFADHM CCN(C(=O)C1C(C)(C)C1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367398 607797301 /nfs/dbraw/zinc/79/73/01/607797301.db2.gz OYOULXFIYWWKMR-UHFFFAOYSA-N -1 3 313.405 2.902 20 0 DFADHM CCN(C(=O)C1C(C)(C)C1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367398 607797302 /nfs/dbraw/zinc/79/73/02/607797302.db2.gz OYOULXFIYWWKMR-UHFFFAOYSA-N -1 3 313.405 2.902 20 0 DFADHM C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000828214839 600936265 /nfs/dbraw/zinc/93/62/65/600936265.db2.gz 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ZINC000822326857 606490640 /nfs/dbraw/zinc/49/06/40/606490640.db2.gz BSYLJWJXTWYLSO-UHFFFAOYSA-N -1 3 308.341 2.632 20 0 DFADHM Cc1cccc(OC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822326857 606490642 /nfs/dbraw/zinc/49/06/42/606490642.db2.gz BSYLJWJXTWYLSO-UHFFFAOYSA-N -1 3 308.341 2.632 20 0 DFADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820979397 606492897 /nfs/dbraw/zinc/49/28/97/606492897.db2.gz HRMPUYDUELNGFL-ONGXEEELSA-N -1 3 305.407 2.627 20 0 DFADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820979397 606492899 /nfs/dbraw/zinc/49/28/99/606492899.db2.gz HRMPUYDUELNGFL-ONGXEEELSA-N -1 3 305.407 2.627 20 0 DFADHM CC(C)[C@H](C)N(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CC1 ZINC000820016435 606493001 /nfs/dbraw/zinc/49/30/01/606493001.db2.gz MDVNEKYUZJULJL-VIFPVBQESA-N -1 3 305.407 2.577 20 0 DFADHM CC(C)[C@H](C)N(C(=O)c1cc(-c2nn[n-]n2)cs1)C1CC1 ZINC000820016435 606493003 /nfs/dbraw/zinc/49/30/03/606493003.db2.gz MDVNEKYUZJULJL-VIFPVBQESA-N -1 3 305.407 2.577 20 0 DFADHM Cc1cc(C)cc(N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822196727 606495502 /nfs/dbraw/zinc/49/55/02/606495502.db2.gz UXJFQOAQMRPROE-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM Cc1cc(C)cc(N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822196727 606495503 /nfs/dbraw/zinc/49/55/03/606495503.db2.gz UXJFQOAQMRPROE-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000821154143 606503407 /nfs/dbraw/zinc/50/34/07/606503407.db2.gz KGFNUPPDDGDPDD-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000821154143 606503409 /nfs/dbraw/zinc/50/34/09/606503409.db2.gz KGFNUPPDDGDPDD-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822194463 606504202 /nfs/dbraw/zinc/50/42/02/606504202.db2.gz YEQGLVNNKAMBQW-NSHDSACASA-N -1 3 311.345 2.568 20 0 DFADHM Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822194463 606504203 /nfs/dbraw/zinc/50/42/03/606504203.db2.gz YEQGLVNNKAMBQW-NSHDSACASA-N -1 3 311.345 2.568 20 0 DFADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H]1CCCC[C@@H]1C ZINC000821154420 606505996 /nfs/dbraw/zinc/50/59/96/606505996.db2.gz NLZGEKNIRMBPKC-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H]1CCCC[C@@H]1C ZINC000821154420 606505998 /nfs/dbraw/zinc/50/59/98/606505998.db2.gz NLZGEKNIRMBPKC-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820698664 606512334 /nfs/dbraw/zinc/51/23/34/606512334.db2.gz VOVSCEVUUHOGNS-GHMZBOCLSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820698664 606512335 /nfs/dbraw/zinc/51/23/35/606512335.db2.gz VOVSCEVUUHOGNS-GHMZBOCLSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@@H]1CCC[C@H](CCNC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820697855 606512477 /nfs/dbraw/zinc/51/24/77/606512477.db2.gz NEAYZLLTBYPFFG-GHMZBOCLSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@@H]1CCC[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820697855 606512479 /nfs/dbraw/zinc/51/24/79/606512479.db2.gz NEAYZLLTBYPFFG-GHMZBOCLSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820698666 606512658 /nfs/dbraw/zinc/51/26/58/606512658.db2.gz VOVSCEVUUHOGNS-QWRGUYRKSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820698666 606512660 /nfs/dbraw/zinc/51/26/60/606512660.db2.gz VOVSCEVUUHOGNS-QWRGUYRKSA-N -1 3 319.434 2.874 20 0 DFADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820859420 606513761 /nfs/dbraw/zinc/51/37/61/606513761.db2.gz DTHJCFFYMRTEDX-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820859420 606513763 /nfs/dbraw/zinc/51/37/63/606513763.db2.gz DTHJCFFYMRTEDX-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820698279 606516739 /nfs/dbraw/zinc/51/67/39/606516739.db2.gz SDSQELCSTJJLQC-ZJUUUORDSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820698279 606516741 /nfs/dbraw/zinc/51/67/41/606516741.db2.gz SDSQELCSTJJLQC-ZJUUUORDSA-N -1 3 305.407 2.579 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)C1CCCC1 ZINC000821699647 606520342 /nfs/dbraw/zinc/52/03/42/606520342.db2.gz XXKFLHUCWPBLMR-JTQLQIEISA-N -1 3 316.361 2.607 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)C1CCCC1 ZINC000821699647 606520344 /nfs/dbraw/zinc/52/03/44/606520344.db2.gz XXKFLHUCWPBLMR-JTQLQIEISA-N -1 3 316.361 2.607 20 0 DFADHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819906723 606537960 /nfs/dbraw/zinc/53/79/60/606537960.db2.gz JQBCSJBHPXJKDN-NSHDSACASA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819906723 606537961 /nfs/dbraw/zinc/53/79/61/606537961.db2.gz JQBCSJBHPXJKDN-NSHDSACASA-N -1 3 319.434 2.969 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]1C ZINC000820717553 606569960 /nfs/dbraw/zinc/56/99/60/606569960.db2.gz SKZPAKRPTPVWPV-RKDXNWHRSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]1C ZINC000820717553 606569963 /nfs/dbraw/zinc/56/99/63/606569963.db2.gz SKZPAKRPTPVWPV-RKDXNWHRSA-N -1 3 320.784 2.782 20 0 DFADHM CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821033679 606570135 /nfs/dbraw/zinc/57/01/35/606570135.db2.gz DJQWPQZHVYIPTC-PELKAZGASA-N -1 3 320.784 2.830 20 0 DFADHM CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821033679 606570136 /nfs/dbraw/zinc/57/01/36/606570136.db2.gz DJQWPQZHVYIPTC-PELKAZGASA-N -1 3 320.784 2.830 20 0 DFADHM CCC1(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC000820962285 606575983 /nfs/dbraw/zinc/57/59/83/606575983.db2.gz NCQGZHDKQWGOLO-UHFFFAOYSA-N -1 3 318.356 2.708 20 0 DFADHM CCC1(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC000820962285 606575985 /nfs/dbraw/zinc/57/59/85/606575985.db2.gz NCQGZHDKQWGOLO-UHFFFAOYSA-N -1 3 318.356 2.708 20 0 DFADHM CC(C)C1(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820032373 606616403 /nfs/dbraw/zinc/61/64/03/606616403.db2.gz MTLFWCHBLXXQMS-UHFFFAOYSA-N -1 3 318.356 2.564 20 0 DFADHM CC(C)C1(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820032373 606616405 /nfs/dbraw/zinc/61/64/05/606616405.db2.gz MTLFWCHBLXXQMS-UHFFFAOYSA-N -1 3 318.356 2.564 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CC(C)C1 ZINC000821100385 606619152 /nfs/dbraw/zinc/61/91/52/606619152.db2.gz ZQBXOUHTUKYKGX-UHFFFAOYSA-N -1 3 313.405 2.651 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CC(C)C1 ZINC000821100385 606619154 /nfs/dbraw/zinc/61/91/54/606619154.db2.gz ZQBXOUHTUKYKGX-UHFFFAOYSA-N -1 3 313.405 2.651 20 0 DFADHM C[C@H](NC(=O)/C=C1\CC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820676489 606620623 /nfs/dbraw/zinc/62/06/23/606620623.db2.gz NKTYVLJUFUPABS-LZEMIWRJSA-N -1 3 311.389 2.790 20 0 DFADHM C[C@H](NC(=O)/C=C1\CC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820676489 606620624 /nfs/dbraw/zinc/62/06/24/606620624.db2.gz NKTYVLJUFUPABS-LZEMIWRJSA-N -1 3 311.389 2.790 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820678778 606621793 /nfs/dbraw/zinc/62/17/93/606621793.db2.gz YHKHHQTXCCFUDW-UEUZTHOGSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820678778 606621794 /nfs/dbraw/zinc/62/17/94/606621794.db2.gz YHKHHQTXCCFUDW-UEUZTHOGSA-N -1 3 316.336 2.795 20 0 DFADHM Cc1ccc(C=CCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822233463 606622413 /nfs/dbraw/zinc/62/24/13/606622413.db2.gz PKERUKZXATWWIU-NSCUHMNNSA-N -1 3 320.356 2.612 20 0 DFADHM Cc1ccc(C=CCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822233463 606622415 /nfs/dbraw/zinc/62/24/15/606622415.db2.gz PKERUKZXATWWIU-NSCUHMNNSA-N -1 3 320.356 2.612 20 0 DFADHM C[C@@H](OC(=O)C1CC(F)(F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820487124 606626688 /nfs/dbraw/zinc/62/66/88/606626688.db2.gz FISVCNLWGFGROI-MRVPVSSYSA-N -1 3 308.288 2.516 20 0 DFADHM C[C@@H](OC(=O)C1CC(F)(F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820487124 606626690 /nfs/dbraw/zinc/62/66/90/606626690.db2.gz FISVCNLWGFGROI-MRVPVSSYSA-N -1 3 308.288 2.516 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(F)cc1F ZINC000821702165 606627260 /nfs/dbraw/zinc/62/72/60/606627260.db2.gz JZEIKDNUJIEIJT-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(F)cc1F ZINC000821702165 606627262 /nfs/dbraw/zinc/62/72/62/606627262.db2.gz JZEIKDNUJIEIJT-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM Fc1cccc(F)c1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822791280 606657122 /nfs/dbraw/zinc/65/71/22/606657122.db2.gz GMMSQSDHESJZLN-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Cc1nc2ccccc2nc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000822461969 606660088 /nfs/dbraw/zinc/66/00/88/606660088.db2.gz BRPDAYPHWSWRLZ-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1nc2ccccc2nc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000822461969 606660089 /nfs/dbraw/zinc/66/00/89/606660089.db2.gz BRPDAYPHWSWRLZ-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM CC[C@@H]1CCCCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820981122 606662575 /nfs/dbraw/zinc/66/25/75/606662575.db2.gz PNJSBHXPBVRKPD-SNVBAGLBSA-N -1 3 321.331 2.550 20 0 DFADHM CC[C@@H]1CCCCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820981122 606662574 /nfs/dbraw/zinc/66/25/74/606662574.db2.gz PNJSBHXPBVRKPD-SNVBAGLBSA-N -1 3 321.331 2.550 20 0 DFADHM CC(C)C[C@H](C)OCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820055645 606663695 /nfs/dbraw/zinc/66/36/95/606663695.db2.gz JAUDJIPPNJUNHX-LBPRGKRZSA-N -1 3 317.393 2.647 20 0 DFADHM CC(C)C[C@H](C)OCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820055645 606663696 /nfs/dbraw/zinc/66/36/96/606663696.db2.gz JAUDJIPPNJUNHX-LBPRGKRZSA-N -1 3 317.393 2.647 20 0 DFADHM CCCN(CC(C)C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821095088 606670968 /nfs/dbraw/zinc/67/09/68/606670968.db2.gz XNCZSGIELGOKSW-UHFFFAOYSA-N -1 3 323.347 2.653 20 0 DFADHM CCCN(CC(C)C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821095088 606670969 /nfs/dbraw/zinc/67/09/69/606670969.db2.gz XNCZSGIELGOKSW-UHFFFAOYSA-N -1 3 323.347 2.653 20 0 DFADHM CCC(CC)(CC)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820887818 606682554 /nfs/dbraw/zinc/68/25/54/606682554.db2.gz SHOFPERKSMXFDX-UHFFFAOYSA-N -1 3 323.347 2.844 20 0 DFADHM CCC(CC)(CC)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820887818 606682555 /nfs/dbraw/zinc/68/25/55/606682555.db2.gz SHOFPERKSMXFDX-UHFFFAOYSA-N -1 3 323.347 2.844 20 0 DFADHM CCCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000821081807 606686518 /nfs/dbraw/zinc/68/65/18/606686518.db2.gz AJEVNRYHLVLIRG-UHFFFAOYSA-N -1 3 323.347 2.796 20 0 DFADHM CCCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000821081807 606686519 /nfs/dbraw/zinc/68/65/19/606686519.db2.gz AJEVNRYHLVLIRG-UHFFFAOYSA-N -1 3 323.347 2.796 20 0 DFADHM CCCCCC(C)(C)CNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821043872 606687098 /nfs/dbraw/zinc/68/70/98/606687098.db2.gz ULQFOMUVKJDKTC-UHFFFAOYSA-N -1 3 318.425 2.542 20 0 DFADHM CCCCCC(C)(C)CNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821043872 606687099 /nfs/dbraw/zinc/68/70/99/606687099.db2.gz ULQFOMUVKJDKTC-UHFFFAOYSA-N -1 3 318.425 2.542 20 0 DFADHM COc1ncccc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000821920380 606706074 /nfs/dbraw/zinc/70/60/74/606706074.db2.gz PXDXBAMDQRHXPS-UHFFFAOYSA-N -1 3 317.349 2.702 20 0 DFADHM COc1ncccc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000821920380 606706075 /nfs/dbraw/zinc/70/60/75/606706075.db2.gz PXDXBAMDQRHXPS-UHFFFAOYSA-N -1 3 317.349 2.702 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1nc(C)cs1 ZINC000821411890 606707447 /nfs/dbraw/zinc/70/74/47/606707447.db2.gz DBAIZBPREWGGRR-UHFFFAOYSA-N -1 3 316.390 2.642 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1nc(C)cs1 ZINC000821411890 606707449 /nfs/dbraw/zinc/70/74/49/606707449.db2.gz DBAIZBPREWGGRR-UHFFFAOYSA-N -1 3 316.390 2.642 20 0 DFADHM CCOCCC1(CNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC000821374661 606720928 /nfs/dbraw/zinc/72/09/28/606720928.db2.gz ZKNKJNRHVUKYQH-UHFFFAOYSA-N -1 3 316.409 2.661 20 0 DFADHM CCOCCC1(CNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC000821374661 606720929 /nfs/dbraw/zinc/72/09/29/606720929.db2.gz ZKNKJNRHVUKYQH-UHFFFAOYSA-N -1 3 316.409 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304.354 2.584 20 0 DFADHM Fc1ccc2oc(COc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000822786807 606791855 /nfs/dbraw/zinc/79/18/55/606791855.db2.gz QGBLNPNFKIAYRT-UHFFFAOYSA-N -1 3 311.276 2.726 20 0 DFADHM Fc1ccc2oc(COc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000822786807 606791856 /nfs/dbraw/zinc/79/18/56/606791856.db2.gz QGBLNPNFKIAYRT-UHFFFAOYSA-N -1 3 311.276 2.726 20 0 DFADHM CCc1csc(NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000821499630 606799056 /nfs/dbraw/zinc/79/90/56/606799056.db2.gz NXXWRDSTZSVMEX-UHFFFAOYSA-N -1 3 304.354 2.637 20 0 DFADHM CCc1csc(NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000821499630 606799058 /nfs/dbraw/zinc/79/90/58/606799058.db2.gz NXXWRDSTZSVMEX-UHFFFAOYSA-N -1 3 304.354 2.637 20 0 DFADHM CCOc1cc(C)ccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000821394954 606801105 /nfs/dbraw/zinc/80/11/05/606801105.db2.gz QPGUHKHTOCJUPI-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1cc(C)ccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000821394954 606801106 /nfs/dbraw/zinc/80/11/06/606801106.db2.gz QPGUHKHTOCJUPI-UHFFFAOYSA-N -1 3 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3 312.308 2.774 20 0 DFADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2F)nc(C2CC2)n1 ZINC000822211831 607128926 /nfs/dbraw/zinc/12/89/26/607128926.db2.gz PVSIVXXPVQAPOC-UHFFFAOYSA-N -1 3 312.308 2.774 20 0 DFADHM CC(C)c1noc([C@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000820211412 607135247 /nfs/dbraw/zinc/13/52/47/607135247.db2.gz LXWNMEDUVDLDKC-QMMMGPOBSA-N -1 3 318.312 2.652 20 0 DFADHM CC(C)c1noc([C@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000820211412 607135249 /nfs/dbraw/zinc/13/52/49/607135249.db2.gz LXWNMEDUVDLDKC-QMMMGPOBSA-N -1 3 318.312 2.652 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)oc1C ZINC000822168594 607145706 /nfs/dbraw/zinc/14/57/06/607145706.db2.gz QEYWALZGUCPEBY-JTQLQIEISA-N -1 3 311.345 2.568 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)oc1C ZINC000822168594 607145708 /nfs/dbraw/zinc/14/57/08/607145708.db2.gz QEYWALZGUCPEBY-JTQLQIEISA-N -1 3 311.345 2.568 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)oc1C ZINC000822176318 607177523 /nfs/dbraw/zinc/17/75/23/607177523.db2.gz JCJYDJQUOHPSAJ-UHFFFAOYSA-N -1 3 317.736 2.982 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)oc1C ZINC000822176318 607177524 /nfs/dbraw/zinc/17/75/24/607177524.db2.gz JCJYDJQUOHPSAJ-UHFFFAOYSA-N -1 3 317.736 2.982 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000822226178 607190881 /nfs/dbraw/zinc/19/08/81/607190881.db2.gz GHCKIEMDKRHHGT-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000822226178 607190882 /nfs/dbraw/zinc/19/08/82/607190882.db2.gz GHCKIEMDKRHHGT-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)[C@H]1C ZINC000820716857 607196479 /nfs/dbraw/zinc/19/64/79/607196479.db2.gz MBADLZWVXJKKAJ-IUCAKERBSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)[C@H]1C ZINC000820716857 607196480 /nfs/dbraw/zinc/19/64/80/607196480.db2.gz MBADLZWVXJKKAJ-IUCAKERBSA-N -1 3 320.784 2.782 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1C[C@@H]2CCC[C@H]21 ZINC000823313912 607198480 /nfs/dbraw/zinc/19/84/80/607198480.db2.gz LVAMLZWRWHDSGO-JOYOIKCWSA-N -1 3 318.768 2.536 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1C[C@@H]2CCC[C@H]21 ZINC000823313912 607198481 /nfs/dbraw/zinc/19/84/81/607198481.db2.gz LVAMLZWRWHDSGO-JOYOIKCWSA-N -1 3 318.768 2.536 20 0 DFADHM CCCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821056177 607203523 /nfs/dbraw/zinc/20/35/23/607203523.db2.gz NWFCOARUKIVDEO-UHFFFAOYSA-N -1 3 308.773 2.832 20 0 DFADHM CCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821056177 607203524 /nfs/dbraw/zinc/20/35/24/607203524.db2.gz NWFCOARUKIVDEO-UHFFFAOYSA-N -1 3 308.773 2.832 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2c[nH]c3ccccc23)n1 ZINC000822215085 607225942 /nfs/dbraw/zinc/22/59/42/607225942.db2.gz LFXQQZOBZXFGKX-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2c[nH]c3ccccc23)n1 ZINC000822215085 607225943 /nfs/dbraw/zinc/22/59/43/607225943.db2.gz LFXQQZOBZXFGKX-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1cccnc1 ZINC000822723598 607225970 /nfs/dbraw/zinc/22/59/70/607225970.db2.gz HHODVWXNUNAQTL-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCc1cccnc1 ZINC000822723598 607225971 /nfs/dbraw/zinc/22/59/71/607225971.db2.gz HHODVWXNUNAQTL-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(C)[nH]1 ZINC000822177187 607240938 /nfs/dbraw/zinc/24/09/38/607240938.db2.gz VYROWCWREBMQJW-UHFFFAOYSA-N -1 3 316.752 2.717 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(C)[nH]1 ZINC000822177187 607240939 /nfs/dbraw/zinc/24/09/39/607240939.db2.gz VYROWCWREBMQJW-UHFFFAOYSA-N -1 3 316.752 2.717 20 0 DFADHM Cc1ccc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822234833 607246982 /nfs/dbraw/zinc/24/69/82/607246982.db2.gz IZENJFNYBSBPDA-UHFFFAOYSA-N -1 3 318.333 2.524 20 0 DFADHM Cc1ccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822234833 607246983 /nfs/dbraw/zinc/24/69/83/607246983.db2.gz IZENJFNYBSBPDA-UHFFFAOYSA-N -1 3 318.333 2.524 20 0 DFADHM Cc1cc(C)cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822196333 607247103 /nfs/dbraw/zinc/24/71/03/607247103.db2.gz FTKUPGYMKDZODS-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Cc1cc(C)cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822196333 607247104 /nfs/dbraw/zinc/24/71/04/607247104.db2.gz FTKUPGYMKDZODS-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc2ccsc21 ZINC000826358332 607772458 /nfs/dbraw/zinc/77/24/58/607772458.db2.gz PLBWGDRZINMGTG-UHFFFAOYSA-N -1 3 324.369 2.672 20 0 DFADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc2ccsc21 ZINC000826358332 607772459 /nfs/dbraw/zinc/77/24/59/607772459.db2.gz PLBWGDRZINMGTG-UHFFFAOYSA-N -1 3 324.369 2.672 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C1CC1)C1CC1 ZINC000826452328 607793626 /nfs/dbraw/zinc/79/36/26/607793626.db2.gz PPISBONFJIOFAZ-UHFFFAOYSA-N -1 3 317.780 2.895 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C1CC1)C1CC1 ZINC000826452328 607793627 /nfs/dbraw/zinc/79/36/27/607793627.db2.gz PPISBONFJIOFAZ-UHFFFAOYSA-N -1 3 317.780 2.895 20 0 DFADHM CCN(C(=O)Cc1ccsc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376883 607799179 /nfs/dbraw/zinc/79/91/79/607799179.db2.gz PARKMHOGVZYGJW-UHFFFAOYSA-N -1 3 313.386 2.524 20 0 DFADHM CCN(C(=O)Cc1ccsc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376883 607799180 /nfs/dbraw/zinc/79/91/80/607799180.db2.gz PARKMHOGVZYGJW-UHFFFAOYSA-N -1 3 313.386 2.524 20 0 DFADHM Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000826286841 607826346 /nfs/dbraw/zinc/82/63/46/607826346.db2.gz SLLSFZCWPSDOEG-UHFFFAOYSA-N -1 3 317.736 2.603 20 0 DFADHM Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000826286841 607826347 /nfs/dbraw/zinc/82/63/47/607826347.db2.gz SLLSFZCWPSDOEG-UHFFFAOYSA-N -1 3 317.736 2.603 20 0 DFADHM O=C(Nc1ccc(Cl)cc1O)c1ccc(-c2nnn[n-]2)s1 ZINC000826453636 607836141 /nfs/dbraw/zinc/83/61/41/607836141.db2.gz SSERJDFDXHTVCH-UHFFFAOYSA-N -1 3 321.749 2.540 20 0 DFADHM C[C@H]1OCC[C@@H]1SCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000825019547 607845827 /nfs/dbraw/zinc/84/58/27/607845827.db2.gz DUCCESSNWUWMNR-MFKMUULPSA-N -1 3 315.402 2.530 20 0 DFADHM C[C@H]1OCC[C@@H]1SCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000825019547 607845828 /nfs/dbraw/zinc/84/58/28/607845828.db2.gz DUCCESSNWUWMNR-MFKMUULPSA-N -1 3 315.402 2.530 20 0 DFADHM Cc1cccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826300091 607870250 /nfs/dbraw/zinc/87/02/50/607870250.db2.gz IISUTTVWQYCTPW-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826300091 607870251 /nfs/dbraw/zinc/87/02/51/607870251.db2.gz IISUTTVWQYCTPW-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM Fc1cc(Cn2ccc(-c3nnn[n-]3)c2)ccc1Br ZINC000826371977 607891843 /nfs/dbraw/zinc/89/18/43/607891843.db2.gz BITQEUXLHFPSHL-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM Fc1cc(Cn2ccc(-c3nn[n-]n3)c2)ccc1Br ZINC000826371977 607891844 /nfs/dbraw/zinc/89/18/44/607891844.db2.gz BITQEUXLHFPSHL-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM CC(C)CSCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000824274996 607904879 /nfs/dbraw/zinc/90/48/79/607904879.db2.gz PYIXQBHNMYVKAO-UHFFFAOYSA-N -1 3 312.830 2.716 20 0 DFADHM CC(C)CSCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000824274996 607904880 /nfs/dbraw/zinc/90/48/80/607904880.db2.gz PYIXQBHNMYVKAO-UHFFFAOYSA-N -1 3 312.830 2.716 20 0 DFADHM O=C(Nc1cccc(F)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826456487 607931508 /nfs/dbraw/zinc/93/15/08/607931508.db2.gz HDANXKGBAZBMCY-UHFFFAOYSA-N -1 3 324.319 2.600 20 0 DFADHM O=C(Nc1cccc(F)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826456487 607931509 /nfs/dbraw/zinc/93/15/09/607931509.db2.gz HDANXKGBAZBMCY-UHFFFAOYSA-N -1 3 324.319 2.600 20 0 DFADHM O=C(CCC1CCCC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826405568 607945674 /nfs/dbraw/zinc/94/56/74/607945674.db2.gz KYRBZOAHTWPACX-UHFFFAOYSA-N -1 3 311.389 2.726 20 0 DFADHM O=C(CCC1CCCC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826405568 607945675 /nfs/dbraw/zinc/94/56/75/607945675.db2.gz KYRBZOAHTWPACX-UHFFFAOYSA-N -1 3 311.389 2.726 20 0 DFADHM CC(C)CC(C)(C)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824229805 607947748 /nfs/dbraw/zinc/94/77/48/607947748.db2.gz VDXUHTNDIPBRTJ-UHFFFAOYSA-N -1 3 313.405 2.828 20 0 DFADHM CC(C)CC(C)(C)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824229805 607947749 /nfs/dbraw/zinc/94/77/49/607947749.db2.gz VDXUHTNDIPBRTJ-UHFFFAOYSA-N -1 3 313.405 2.828 20 0 DFADHM CS[C@@H](C)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000826224972 607962385 /nfs/dbraw/zinc/96/23/85/607962385.db2.gz QGJPHJTWRMECCY-LURJTMIESA-N -1 3 311.436 2.625 20 0 DFADHM CS[C@@H](C)CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000826224972 607962386 /nfs/dbraw/zinc/96/23/86/607962386.db2.gz QGJPHJTWRMECCY-LURJTMIESA-N -1 3 311.436 2.625 20 0 DFADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnn(C(C)C)c1 ZINC000825782284 607975504 /nfs/dbraw/zinc/97/55/04/607975504.db2.gz AUYOUEUEQPCPDY-UHFFFAOYSA-N -1 3 322.376 2.681 20 0 DFADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnn(C(C)C)c1 ZINC000825782284 607975505 /nfs/dbraw/zinc/97/55/05/607975505.db2.gz AUYOUEUEQPCPDY-UHFFFAOYSA-N -1 3 322.376 2.681 20 0 DFADHM O=C(C=CC1CCCCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826400206 607998863 /nfs/dbraw/zinc/99/88/63/607998863.db2.gz SBVQKVMVPMECHD-RMKNXTFCSA-N -1 3 313.361 2.647 20 0 DFADHM O=C(/C=C/C1CCCCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826400206 607998864 /nfs/dbraw/zinc/99/88/64/607998864.db2.gz SBVQKVMVPMECHD-RMKNXTFCSA-N -1 3 313.361 2.647 20 0 DFADHM CN(C(=O)C1CCC(F)(F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825811741 608005507 /nfs/dbraw/zinc/00/55/07/608005507.db2.gz AJIAHIFETYJAKB-UHFFFAOYSA-N -1 3 321.331 2.655 20 0 DFADHM CN(C(=O)C1CCC(F)(F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825811741 608005508 /nfs/dbraw/zinc/00/55/08/608005508.db2.gz AJIAHIFETYJAKB-UHFFFAOYSA-N -1 3 321.331 2.655 20 0 DFADHM C[C@@H]1CSC(SCc2ccc(-c3nnn[n-]3)cc2F)=N1 ZINC000825012273 608014083 /nfs/dbraw/zinc/01/40/83/608014083.db2.gz FWSIVZLWULALGQ-SSDOTTSWSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@@H]1CSC(SCc2ccc(-c3nn[n-]n3)cc2F)=N1 ZINC000825012273 608014084 /nfs/dbraw/zinc/01/40/84/608014084.db2.gz FWSIVZLWULALGQ-SSDOTTSWSA-N -1 3 309.395 2.730 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCc2ccsc2C1 ZINC000826371677 608019156 /nfs/dbraw/zinc/01/91/56/608019156.db2.gz PSDDPKVFLVORBW-UHFFFAOYSA-N -1 3 319.340 2.769 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCc2ccsc2C1 ZINC000826371677 608019157 /nfs/dbraw/zinc/01/91/57/608019157.db2.gz PSDDPKVFLVORBW-UHFFFAOYSA-N -1 3 319.340 2.769 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cnc(Cl)s1 ZINC000826278849 608019221 /nfs/dbraw/zinc/01/92/21/608019221.db2.gz VSNFDEFVDRYDSH-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cnc(Cl)s1 ZINC000826278849 608019222 /nfs/dbraw/zinc/01/92/22/608019222.db2.gz VSNFDEFVDRYDSH-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ncc(C2CC2)o1 ZINC000826243178 608025158 /nfs/dbraw/zinc/02/51/58/608025158.db2.gz XTABWSYSQVYOGI-UHFFFAOYSA-N -1 3 311.345 2.928 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2cccc(F)c12 ZINC000761235918 608047020 /nfs/dbraw/zinc/04/70/20/608047020.db2.gz XEKXOZWYYCDCGM-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2cccc(F)c12 ZINC000761235918 608047021 /nfs/dbraw/zinc/04/70/21/608047021.db2.gz XEKXOZWYYCDCGM-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM Brc1cc(-c2nn[n-]n2)ccc1NCC1CCC1 ZINC000823826112 608047565 /nfs/dbraw/zinc/04/75/65/608047565.db2.gz CNJSMCJLQRTXOC-UHFFFAOYSA-N -1 3 308.183 2.841 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825096467 608053956 /nfs/dbraw/zinc/05/39/56/608053956.db2.gz NZEVHGTYXLWCBL-GFCCVEGCSA-N -1 3 315.421 2.897 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825096467 608053957 /nfs/dbraw/zinc/05/39/57/608053957.db2.gz NZEVHGTYXLWCBL-GFCCVEGCSA-N -1 3 315.421 2.897 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000825095419 608057812 /nfs/dbraw/zinc/05/78/12/608057812.db2.gz GHSIKUFVEALFLI-LLVKDONJSA-N -1 3 301.394 2.902 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000825095419 608057813 /nfs/dbraw/zinc/05/78/13/608057813.db2.gz GHSIKUFVEALFLI-LLVKDONJSA-N -1 3 301.394 2.902 20 0 DFADHM CCC(CC)[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000825094757 608060130 /nfs/dbraw/zinc/06/01/30/608060130.db2.gz BDNUMQGNBKOXCH-JTQLQIEISA-N -1 3 317.393 2.886 20 0 DFADHM CCC(CC)[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000825094757 608060131 /nfs/dbraw/zinc/06/01/31/608060131.db2.gz BDNUMQGNBKOXCH-JTQLQIEISA-N -1 3 317.393 2.886 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825095869 608072129 /nfs/dbraw/zinc/07/21/29/608072129.db2.gz JNSCWLMELFXYAB-LLVKDONJSA-N -1 3 313.405 2.828 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825095869 608072130 /nfs/dbraw/zinc/07/21/30/608072130.db2.gz JNSCWLMELFXYAB-LLVKDONJSA-N -1 3 313.405 2.828 20 0 DFADHM c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000826514633 608099190 /nfs/dbraw/zinc/09/91/90/608099190.db2.gz XNCZIIPEIXNHRA-UPJWGTAASA-N -1 3 319.459 2.658 20 0 DFADHM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000824391731 608123316 /nfs/dbraw/zinc/12/33/16/608123316.db2.gz JVQDTRMFRAKKBC-TVQRCGJNSA-N -1 3 317.324 2.523 20 0 DFADHM C[C@H](C[C@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000824391729 608123505 /nfs/dbraw/zinc/12/35/05/608123505.db2.gz JVQDTRMFRAKKBC-RNCFNFMXSA-N -1 3 317.324 2.523 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc2[nH]ccc2c1 ZINC000826184660 608153345 /nfs/dbraw/zinc/15/33/45/608153345.db2.gz GJNUKOBRMRFSRT-UHFFFAOYSA-N -1 3 321.340 2.936 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc2[nH]ccc2c1 ZINC000826184660 608153347 /nfs/dbraw/zinc/15/33/47/608153347.db2.gz GJNUKOBRMRFSRT-UHFFFAOYSA-N -1 3 321.340 2.936 20 0 DFADHM C[C@H]1CCC[C@@H](COC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000824928504 608172087 /nfs/dbraw/zinc/17/20/87/608172087.db2.gz UGKJKPLBWHBHQL-VHSXEESVSA-N -1 3 306.391 2.911 20 0 DFADHM C[C@H]1CCC[C@@H](COC(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000824928504 608172089 /nfs/dbraw/zinc/17/20/89/608172089.db2.gz UGKJKPLBWHBHQL-VHSXEESVSA-N -1 3 306.391 2.911 20 0 DFADHM C[C@@H]1CCC[C@@H](COC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824928865 608172438 /nfs/dbraw/zinc/17/24/38/608172438.db2.gz VNHVLCGZWOGDME-TZMCWYRMSA-N -1 3 314.389 2.779 20 0 DFADHM C[C@@H]1CCC[C@@H](COC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824928865 608172439 /nfs/dbraw/zinc/17/24/39/608172439.db2.gz VNHVLCGZWOGDME-TZMCWYRMSA-N -1 3 314.389 2.779 20 0 DFADHM c1c2c(nc(N[C@H]3CC34CCCCC4)c1-c1nnn[n-]1)CCC2 ZINC000826511897 608195107 /nfs/dbraw/zinc/19/51/07/608195107.db2.gz ISWKCIXERNKYFX-AWEZNQCLSA-N -1 3 310.405 2.885 20 0 DFADHM c1c2c(nc(N[C@H]3CC34CCCCC4)c1-c1nn[n-]n1)CCC2 ZINC000826511897 608195108 /nfs/dbraw/zinc/19/51/08/608195108.db2.gz ISWKCIXERNKYFX-AWEZNQCLSA-N -1 3 310.405 2.885 20 0 DFADHM C[C@@H]1C[C@H](CNc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824886363 608196014 /nfs/dbraw/zinc/19/60/14/608196014.db2.gz XSKVBEFGMUXIIC-NXEZZACHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H]1C[C@H](CNc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824886363 608196016 /nfs/dbraw/zinc/19/60/16/608196016.db2.gz XSKVBEFGMUXIIC-NXEZZACHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC12CCC2 ZINC000824961778 608196089 /nfs/dbraw/zinc/19/60/89/608196089.db2.gz IIYXSUCAWHDHOQ-SNVBAGLBSA-N -1 3 318.812 2.932 20 0 DFADHM C[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC12CCC2 ZINC000824961778 608196091 /nfs/dbraw/zinc/19/60/91/608196091.db2.gz IIYXSUCAWHDHOQ-SNVBAGLBSA-N -1 3 318.812 2.932 20 0 DFADHM Cc1nscc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826340360 608212783 /nfs/dbraw/zinc/21/27/83/608212783.db2.gz VAUHKZHJKGPQPQ-SECBINFHSA-N -1 3 315.358 2.550 20 0 DFADHM Cc1nscc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826340360 608212785 /nfs/dbraw/zinc/21/27/85/608212785.db2.gz VAUHKZHJKGPQPQ-SECBINFHSA-N -1 3 315.358 2.550 20 0 DFADHM CSC(C)(C)CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826224493 608230010 /nfs/dbraw/zinc/23/00/10/608230010.db2.gz GIUKJXPSBOGHIN-UHFFFAOYSA-N -1 3 314.418 2.968 20 0 DFADHM CSC(C)(C)CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826224493 608230011 /nfs/dbraw/zinc/23/00/11/608230011.db2.gz GIUKJXPSBOGHIN-UHFFFAOYSA-N -1 3 314.418 2.968 20 0 DFADHM CC1(C)C[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824788960 608234508 /nfs/dbraw/zinc/23/45/08/608234508.db2.gz DVYZTHSCCZLYGA-CYBMUJFWSA-N -1 3 324.388 2.784 20 0 DFADHM CC1(C)C[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824788960 608234510 /nfs/dbraw/zinc/23/45/10/608234510.db2.gz DVYZTHSCCZLYGA-CYBMUJFWSA-N -1 3 324.388 2.784 20 0 DFADHM Cc1cncc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826319942 608235016 /nfs/dbraw/zinc/23/50/16/608235016.db2.gz ZSQVJHQVQJUUKW-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cncc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826319942 608235017 /nfs/dbraw/zinc/23/50/17/608235017.db2.gz ZSQVJHQVQJUUKW-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM CC(C)[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824214770 608242509 /nfs/dbraw/zinc/24/25/09/608242509.db2.gz IBRZAASKMARLLQ-BXUZGUMPSA-N -1 3 305.357 2.621 20 0 DFADHM CC(C)[C@@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824217203 608242787 /nfs/dbraw/zinc/24/27/87/608242787.db2.gz ZERVYWBNWOFVPF-GWCFXTLKSA-N -1 3 305.357 2.621 20 0 DFADHM CC(C)[C@@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824217203 608242789 /nfs/dbraw/zinc/24/27/89/608242789.db2.gz ZERVYWBNWOFVPF-GWCFXTLKSA-N -1 3 305.357 2.621 20 0 DFADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(C2CC2)cc1 ZINC000826422350 608245345 /nfs/dbraw/zinc/24/53/45/608245345.db2.gz VYCZQGYBSXYOCW-UHFFFAOYSA-N -1 3 319.368 2.925 20 0 DFADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(C2CC2)cc1 ZINC000826422350 608245347 /nfs/dbraw/zinc/24/53/47/608245347.db2.gz VYCZQGYBSXYOCW-UHFFFAOYSA-N -1 3 319.368 2.925 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(F)cc1 ZINC000826173200 608260587 /nfs/dbraw/zinc/26/05/87/608260587.db2.gz SBIODEHWVAIRTR-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(F)cc1 ZINC000826173200 608260589 /nfs/dbraw/zinc/26/05/89/608260589.db2.gz SBIODEHWVAIRTR-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000826278005 608274549 /nfs/dbraw/zinc/27/45/49/608274549.db2.gz OHEADTOPNYRHRR-PWSUYJOCSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000826278005 608274551 /nfs/dbraw/zinc/27/45/51/608274551.db2.gz OHEADTOPNYRHRR-PWSUYJOCSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2cc(F)cc(F)c2)n1 ZINC000826276548 608280483 /nfs/dbraw/zinc/28/04/83/608280483.db2.gz KUAYAEUROLEZQS-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2cc(F)cc(F)c2)n1 ZINC000826276548 608280485 /nfs/dbraw/zinc/28/04/85/608280485.db2.gz KUAYAEUROLEZQS-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCCc3ccccc3C2)n1 ZINC000826274843 608284888 /nfs/dbraw/zinc/28/48/88/608284888.db2.gz GVYMJPZSDJEYRJ-UHFFFAOYSA-N -1 3 306.373 2.523 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCCc3ccccc3C2)n1 ZINC000826274843 608284889 /nfs/dbraw/zinc/28/48/89/608284889.db2.gz GVYMJPZSDJEYRJ-UHFFFAOYSA-N -1 3 306.373 2.523 20 0 DFADHM CCS[C@@H]1CCCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC000825669194 608285955 /nfs/dbraw/zinc/28/59/55/608285955.db2.gz RWRRKVGUTYWHIQ-GFCCVEGCSA-N -1 3 318.450 2.682 20 0 DFADHM CCS[C@@H]1CCCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC000825669194 608285956 /nfs/dbraw/zinc/28/59/56/608285956.db2.gz RWRRKVGUTYWHIQ-GFCCVEGCSA-N -1 3 318.450 2.682 20 0 DFADHM CC1(C)CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000824806780 608287851 /nfs/dbraw/zinc/28/78/51/608287851.db2.gz AZDNQKMCSXUQQN-UHFFFAOYSA-N -1 3 312.421 2.767 20 0 DFADHM CC1(C)CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000824806780 608287853 /nfs/dbraw/zinc/28/78/53/608287853.db2.gz AZDNQKMCSXUQQN-UHFFFAOYSA-N -1 3 312.421 2.767 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](C(C)C)CC2)n1 ZINC000826274053 608287950 /nfs/dbraw/zinc/28/79/50/608287950.db2.gz FNINKEWBNJQJAC-ZDUSSCGKSA-N -1 3 300.410 2.833 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](C(C)C)CC2)n1 ZINC000826274053 608287951 /nfs/dbraw/zinc/28/79/51/608287951.db2.gz FNINKEWBNJQJAC-ZDUSSCGKSA-N -1 3 300.410 2.833 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CSc3ccccc32)n1 ZINC000826276225 608288697 /nfs/dbraw/zinc/28/86/97/608288697.db2.gz YAFZELVIILISOE-GFCCVEGCSA-N -1 3 310.386 2.829 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CSc3ccccc32)n1 ZINC000826276225 608288699 /nfs/dbraw/zinc/28/86/99/608288699.db2.gz YAFZELVIILISOE-GFCCVEGCSA-N -1 3 310.386 2.829 20 0 DFADHM CC[C@H](CSC)N(C)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825125599 608296784 /nfs/dbraw/zinc/29/67/84/608296784.db2.gz DXEUPRMEFGFSFS-SECBINFHSA-N -1 3 313.377 2.723 20 0 DFADHM CC[C@H](CSC)N(C)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825125599 608296786 /nfs/dbraw/zinc/29/67/86/608296786.db2.gz DXEUPRMEFGFSFS-SECBINFHSA-N -1 3 313.377 2.723 20 0 DFADHM CCc1cccnc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825728433 608318506 /nfs/dbraw/zinc/31/85/06/608318506.db2.gz OXSZJLXVHSVJJG-NSHDSACASA-N -1 3 323.356 2.742 20 0 DFADHM CCc1cccnc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825728433 608318508 /nfs/dbraw/zinc/31/85/08/608318508.db2.gz OXSZJLXVHSVJJG-NSHDSACASA-N -1 3 323.356 2.742 20 0 DFADHM COCC[C@@H](C)SCc1ccc(-c2nnn[n-]2)cc1OC ZINC000826154027 608322239 /nfs/dbraw/zinc/32/22/39/608322239.db2.gz GKPPXCCCLACDOL-SNVBAGLBSA-N -1 3 308.407 2.534 20 0 DFADHM COCC[C@@H](C)SCc1ccc(-c2nn[n-]n2)cc1OC ZINC000826154027 608322241 /nfs/dbraw/zinc/32/22/41/608322241.db2.gz GKPPXCCCLACDOL-SNVBAGLBSA-N -1 3 308.407 2.534 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)[C@@H](C)c1ccco1 ZINC000826167502 608356103 /nfs/dbraw/zinc/35/61/03/608356103.db2.gz HBQFPYRPZNKXLN-NSHDSACASA-N -1 3 313.361 2.661 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@@H](C)c1ccco1 ZINC000826167502 608356105 /nfs/dbraw/zinc/35/61/05/608356105.db2.gz HBQFPYRPZNKXLN-NSHDSACASA-N -1 3 313.361 2.661 20 0 DFADHM Oc1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826511476 608372294 /nfs/dbraw/zinc/37/22/94/608372294.db2.gz RSYRWEXWCYZLGS-UHFFFAOYSA-N -1 3 318.340 2.733 20 0 DFADHM Oc1cccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826511476 608372297 /nfs/dbraw/zinc/37/22/97/608372297.db2.gz RSYRWEXWCYZLGS-UHFFFAOYSA-N -1 3 318.340 2.733 20 0 DFADHM CN(Cc1ccccn1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000825985843 608374300 /nfs/dbraw/zinc/37/43/00/608374300.db2.gz CKBFHTJKCDPNTD-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1ccccn1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000825985843 608374302 /nfs/dbraw/zinc/37/43/02/608374302.db2.gz CKBFHTJKCDPNTD-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM Cc1nc(CCOc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000826325875 608395596 /nfs/dbraw/zinc/39/55/96/608395596.db2.gz PFXCVBCOCIDUNO-UHFFFAOYSA-N -1 3 321.793 2.907 20 0 DFADHM Cc1nc(CCOc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000826325875 608395597 /nfs/dbraw/zinc/39/55/97/608395597.db2.gz PFXCVBCOCIDUNO-UHFFFAOYSA-N -1 3 321.793 2.907 20 0 DFADHM Fc1cccc(N2CCC[C@H]2c2ccncc2)c1-c1nnn[n-]1 ZINC000826377155 608398972 /nfs/dbraw/zinc/39/89/72/608398972.db2.gz HATCSEMULWZLAX-ZDUSSCGKSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1cccc(N2CCC[C@H]2c2ccncc2)c1-c1nn[n-]n1 ZINC000826377155 608398974 /nfs/dbraw/zinc/39/89/74/608398974.db2.gz HATCSEMULWZLAX-ZDUSSCGKSA-N -1 3 310.336 2.742 20 0 DFADHM Cc1cccn2cc(CNc3ccc(F)cc3-c3nnn[n-]3)nc12 ZINC000826308400 608410266 /nfs/dbraw/zinc/41/02/66/608410266.db2.gz XTJFRIAKNKNNFV-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cccn2cc(CNc3ccc(F)cc3-c3nn[n-]n3)nc12 ZINC000826308400 608410268 /nfs/dbraw/zinc/41/02/68/608410268.db2.gz XTJFRIAKNKNNFV-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM COC1(C)CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826143900 608411895 /nfs/dbraw/zinc/41/18/95/608411895.db2.gz VKAWCWVNNOCRBO-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM COC1(C)CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826143900 608411897 /nfs/dbraw/zinc/41/18/97/608411897.db2.gz VKAWCWVNNOCRBO-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1F)OCc1ccccc1 ZINC000825976800 608413568 /nfs/dbraw/zinc/41/35/68/608413568.db2.gz QKACXVDIXYPFJI-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1F)OCc1ccccc1 ZINC000825976800 608413570 /nfs/dbraw/zinc/41/35/70/608413570.db2.gz QKACXVDIXYPFJI-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM Fc1c(CN(CC(F)(F)F)C2CC2)cccc1-c1nnn[n-]1 ZINC000826370081 608419082 /nfs/dbraw/zinc/41/90/82/608419082.db2.gz CRLXJXCQULSBNV-UHFFFAOYSA-N -1 3 315.274 2.533 20 0 DFADHM Fc1c(CN(CC(F)(F)F)C2CC2)cccc1-c1nn[n-]n1 ZINC000826370081 608419084 /nfs/dbraw/zinc/41/90/84/608419084.db2.gz CRLXJXCQULSBNV-UHFFFAOYSA-N -1 3 315.274 2.533 20 0 DFADHM FC(F)(F)c1ccc(Sc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000826368787 608432296 /nfs/dbraw/zinc/43/22/96/608432296.db2.gz BBEUBMLDOADNMT-UHFFFAOYSA-N -1 3 324.291 2.827 20 0 DFADHM FC(F)(F)c1ccc(Sc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000826368787 608432297 /nfs/dbraw/zinc/43/22/97/608432297.db2.gz BBEUBMLDOADNMT-UHFFFAOYSA-N -1 3 324.291 2.827 20 0 DFADHM Cc1cccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826296114 608436612 /nfs/dbraw/zinc/43/66/12/608436612.db2.gz JQVYLLJVSIFKSR-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826296114 608436613 /nfs/dbraw/zinc/43/66/13/608436613.db2.gz JQVYLLJVSIFKSR-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM C[C@H]1CC(Nc2c(Cl)cccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824893855 608444739 /nfs/dbraw/zinc/44/47/39/608444739.db2.gz VSJYETDZPYWNKD-IUCAKERBSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@H]1CC(Nc2c(Cl)cccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824893855 608444741 /nfs/dbraw/zinc/44/47/41/608444741.db2.gz VSJYETDZPYWNKD-IUCAKERBSA-N -1 3 307.785 2.888 20 0 DFADHM O=C(C=C1CCCC1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826399976 608445020 /nfs/dbraw/zinc/44/50/20/608445020.db2.gz LURZJRNZMNBTQP-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM O=C(C=C1CCCC1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826399976 608445021 /nfs/dbraw/zinc/44/50/21/608445021.db2.gz LURZJRNZMNBTQP-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM Fc1ccc(N2CCc3cccc(F)c3C2)c(-c2nnn[n-]2)c1 ZINC000826375123 608445503 /nfs/dbraw/zinc/44/55/03/608445503.db2.gz AORNTKIIBMMTLL-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc(N2CCc3cccc(F)c3C2)c(-c2nn[n-]n2)c1 ZINC000826375123 608445504 /nfs/dbraw/zinc/44/55/04/608445504.db2.gz AORNTKIIBMMTLL-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1cccc2c1CN(c1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000826372026 608447178 /nfs/dbraw/zinc/44/71/78/608447178.db2.gz DGIJEAJBQDWNCR-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824907578 608451224 /nfs/dbraw/zinc/45/12/24/608451224.db2.gz JDUFJNOKWJPULD-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824907578 608451225 /nfs/dbraw/zinc/45/12/25/608451225.db2.gz JDUFJNOKWJPULD-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824900288 608451430 /nfs/dbraw/zinc/45/14/30/608451430.db2.gz ULYCCOFUEYDCQS-UBYNWHESSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824900288 608451432 /nfs/dbraw/zinc/45/14/32/608451432.db2.gz ULYCCOFUEYDCQS-UBYNWHESSA-N -1 3 316.336 2.795 20 0 DFADHM CCC(=CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)CC ZINC000825029343 608451453 /nfs/dbraw/zinc/45/14/53/608451453.db2.gz QEBXNYWHSAAYIB-UHFFFAOYSA-N -1 3 304.325 2.795 20 0 DFADHM CCC(=CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)CC ZINC000825029343 608451454 /nfs/dbraw/zinc/45/14/54/608451454.db2.gz QEBXNYWHSAAYIB-UHFFFAOYSA-N -1 3 304.325 2.795 20 0 DFADHM COc1ccc(CCOc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826192313 608475113 /nfs/dbraw/zinc/47/51/13/608475113.db2.gz IPZOLKKXPJRREX-UHFFFAOYSA-N -1 3 314.320 2.636 20 0 DFADHM COc1ccc(CCOc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826192313 608475114 /nfs/dbraw/zinc/47/51/14/608475114.db2.gz IPZOLKKXPJRREX-UHFFFAOYSA-N -1 3 314.320 2.636 20 0 DFADHM CC(C)c1cnc(CN[C@@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824352519 608490309 /nfs/dbraw/zinc/49/03/09/608490309.db2.gz GVLQHEYCIGBTQS-NSHDSACASA-N -1 3 312.377 2.829 20 0 DFADHM CC(C)c1cnc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000824352519 608490311 /nfs/dbraw/zinc/49/03/11/608490311.db2.gz GVLQHEYCIGBTQS-NSHDSACASA-N -1 3 312.377 2.829 20 0 DFADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cscn1 ZINC000824530421 608492436 /nfs/dbraw/zinc/49/24/36/608492436.db2.gz LCRGPWNJPOJGNW-VHSXEESVSA-N -1 3 300.391 2.735 20 0 DFADHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccccc1F ZINC000825953284 608498051 /nfs/dbraw/zinc/49/80/51/608498051.db2.gz CRXMLOBNPQOCCX-UHFFFAOYSA-N -1 3 303.366 2.699 20 0 DFADHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccccc1F ZINC000825953284 608498052 /nfs/dbraw/zinc/49/80/52/608498052.db2.gz CRXMLOBNPQOCCX-UHFFFAOYSA-N -1 3 303.366 2.699 20 0 DFADHM O=C(Nc1cccc(F)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826456454 608572288 /nfs/dbraw/zinc/57/22/88/608572288.db2.gz FQTKQEGYCCLFOF-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1cccc(F)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826456454 608572290 /nfs/dbraw/zinc/57/22/90/608572290.db2.gz FQTKQEGYCCLFOF-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccccc1F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457683 608572368 /nfs/dbraw/zinc/57/23/68/608572368.db2.gz LLTKNGDRRYJULN-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccccc1F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457683 608572367 /nfs/dbraw/zinc/57/23/67/608572367.db2.gz LLTKNGDRRYJULN-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM CCOc1cccc([C@H]2C[C@H]2Nc2ncccc2-c2nnn[n-]2)c1 ZINC000825649276 608588717 /nfs/dbraw/zinc/58/87/17/608588717.db2.gz NLDPNZZKHOCRFH-HUUCEWRRSA-N -1 3 322.372 2.628 20 0 DFADHM CCOc1cccc([C@H]2C[C@H]2Nc2ncccc2-c2nn[n-]n2)c1 ZINC000825649276 608588718 /nfs/dbraw/zinc/58/87/18/608588718.db2.gz NLDPNZZKHOCRFH-HUUCEWRRSA-N -1 3 322.372 2.628 20 0 DFADHM CCOc1cccc([C@@H]2C[C@@H]2Nc2ncccc2-c2nnn[n-]2)c1 ZINC000825649275 608589225 /nfs/dbraw/zinc/58/92/25/608589225.db2.gz NLDPNZZKHOCRFH-GJZGRUSLSA-N -1 3 322.372 2.628 20 0 DFADHM CCOc1cccc([C@@H]2C[C@@H]2Nc2ncccc2-c2nn[n-]n2)c1 ZINC000825649275 608589227 /nfs/dbraw/zinc/58/92/27/608589227.db2.gz NLDPNZZKHOCRFH-GJZGRUSLSA-N -1 3 322.372 2.628 20 0 DFADHM Cc1cc([C@@H]2CCCN2Cc2cc(-c3nnn[n-]3)cs2)on1 ZINC000826265577 608601417 /nfs/dbraw/zinc/60/14/17/608601417.db2.gz FSWJYAACWQQVNB-LBPRGKRZSA-N -1 3 316.390 2.562 20 0 DFADHM Cc1cc([C@@H]2CCCN2Cc2cc(-c3nn[n-]n3)cs2)on1 ZINC000826265577 608601419 /nfs/dbraw/zinc/60/14/19/608601419.db2.gz FSWJYAACWQQVNB-LBPRGKRZSA-N -1 3 316.390 2.562 20 0 DFADHM Cc1c(NC(=O)N2C[C@@H](C)CC[C@H]2C)cccc1-c1nnn[n-]1 ZINC000826241716 608608969 /nfs/dbraw/zinc/60/89/69/608608969.db2.gz LYPSZMPEQUOBBS-WDEREUQCSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2C[C@@H](C)CC[C@H]2C)cccc1-c1nn[n-]n1 ZINC000826241716 608608970 /nfs/dbraw/zinc/60/89/70/608608970.db2.gz LYPSZMPEQUOBBS-WDEREUQCSA-N -1 3 314.393 2.827 20 0 DFADHM CCc1nc(CN(C)Cc2cc(-c3nnn[n-]3)cs2)cs1 ZINC000825744782 608636236 /nfs/dbraw/zinc/63/62/36/608636236.db2.gz DWWHGPHLHIVXHB-UHFFFAOYSA-N -1 3 320.447 2.579 20 0 DFADHM CCc1nc(CN(C)Cc2cc(-c3nn[n-]n3)cs2)cs1 ZINC000825744782 608636238 /nfs/dbraw/zinc/63/62/38/608636238.db2.gz DWWHGPHLHIVXHB-UHFFFAOYSA-N -1 3 320.447 2.579 20 0 DFADHM CCc1ncc(CN(C)Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000825749765 608693896 /nfs/dbraw/zinc/69/38/96/608693896.db2.gz HPTKUTQNZWUGDY-UHFFFAOYSA-N -1 3 320.447 2.579 20 0 DFADHM CCc1ncc(CN(C)Cc2cc(-c3nn[n-]n3)cs2)s1 ZINC000825749765 608693899 /nfs/dbraw/zinc/69/38/99/608693899.db2.gz HPTKUTQNZWUGDY-UHFFFAOYSA-N -1 3 320.447 2.579 20 0 DFADHM CCOc1ccc([C@@H](C)Nc2cnccc2-c2nnn[n-]2)cc1 ZINC000825639230 608769582 /nfs/dbraw/zinc/76/95/82/608769582.db2.gz VLYOZRJBFVYQBD-LLVKDONJSA-N -1 3 310.361 2.834 20 0 DFADHM CCOc1ccc([C@@H](C)Nc2cnccc2-c2nn[n-]n2)cc1 ZINC000825639230 608769583 /nfs/dbraw/zinc/76/95/83/608769583.db2.gz VLYOZRJBFVYQBD-LLVKDONJSA-N -1 3 310.361 2.834 20 0 DFADHM Cc1[nH]c2ccc(CNc3cnccc3-c3nnn[n-]3)cc2c1C ZINC000826233867 608777841 /nfs/dbraw/zinc/77/78/41/608777841.db2.gz YKJTWYPTAKLICD-UHFFFAOYSA-N -1 3 319.372 2.972 20 0 DFADHM Cc1[nH]c2ccc(CNc3cnccc3-c3nn[n-]n3)cc2c1C ZINC000826233867 608777843 /nfs/dbraw/zinc/77/78/43/608777843.db2.gz YKJTWYPTAKLICD-UHFFFAOYSA-N -1 3 319.372 2.972 20 0 DFADHM CN(CCc1ccc(Cl)cc1)c1cnccc1-c1nnn[n-]1 ZINC000825946298 608784680 /nfs/dbraw/zinc/78/46/80/608784680.db2.gz RQYDCCZDSAVJFZ-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM CN(CCc1ccc(Cl)cc1)c1cnccc1-c1nn[n-]n1 ZINC000825946298 608784681 /nfs/dbraw/zinc/78/46/81/608784681.db2.gz RQYDCCZDSAVJFZ-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2cnccc2-c2nnn[n-]2)C1 ZINC000826307111 608787452 /nfs/dbraw/zinc/78/74/52/608787452.db2.gz WUZAEBSCPGNCCC-ZIAGYGMSSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2cnccc2-c2nn[n-]n2)C1 ZINC000826307111 608787453 /nfs/dbraw/zinc/78/74/53/608787453.db2.gz WUZAEBSCPGNCCC-ZIAGYGMSSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2cnccc2-c2nnn[n-]2)C1 ZINC000826307109 608787466 /nfs/dbraw/zinc/78/74/66/608787466.db2.gz WUZAEBSCPGNCCC-KGLIPLIRSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2cnccc2-c2nn[n-]n2)C1 ZINC000826307109 608787469 /nfs/dbraw/zinc/78/74/69/608787469.db2.gz WUZAEBSCPGNCCC-KGLIPLIRSA-N -1 3 320.400 2.953 20 0 DFADHM CC[C@@H](CNc1cnccc1-c1nnn[n-]1)Oc1cccc(C)c1 ZINC000825122380 608789256 /nfs/dbraw/zinc/78/92/56/608789256.db2.gz YEUWEZTWPOLVMD-ZDUSSCGKSA-N -1 3 324.388 2.840 20 0 DFADHM CC[C@@H](CNc1cnccc1-c1nn[n-]n1)Oc1cccc(C)c1 ZINC000825122380 608789259 /nfs/dbraw/zinc/78/92/59/608789259.db2.gz YEUWEZTWPOLVMD-ZDUSSCGKSA-N -1 3 324.388 2.840 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cnc(C)s1 ZINC000825481016 609178923 /nfs/dbraw/zinc/17/89/23/609178923.db2.gz QZPUOMDSQGIYKS-UHFFFAOYSA-N -1 3 315.406 2.676 20 0 DFADHM Cc1occc1SCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826342472 609179219 /nfs/dbraw/zinc/17/92/19/609179219.db2.gz LWBOXBMCCYQPEJ-UHFFFAOYSA-N -1 3 302.359 2.939 20 0 DFADHM Cc1occc1SCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826342472 609179221 /nfs/dbraw/zinc/17/92/21/609179221.db2.gz LWBOXBMCCYQPEJ-UHFFFAOYSA-N -1 3 302.359 2.939 20 0 DFADHM c1nc2ccccn2c1CSc1cccc(-c2nnn[n-]2)c1 ZINC000826517815 609179513 /nfs/dbraw/zinc/17/95/13/609179513.db2.gz PONUCMXJCZEVDO-UHFFFAOYSA-N -1 3 308.370 2.807 20 0 DFADHM c1nc2ccccn2c1CSc1cccc(-c2nn[n-]n2)c1 ZINC000826517815 609179514 /nfs/dbraw/zinc/17/95/14/609179514.db2.gz PONUCMXJCZEVDO-UHFFFAOYSA-N -1 3 308.370 2.807 20 0 DFADHM Fc1ccc(CSCc2ccccn2)c(-c2nnn[n-]2)c1 ZINC000826374859 609184046 /nfs/dbraw/zinc/18/40/46/609184046.db2.gz OUYUEARAOKQYED-UHFFFAOYSA-N -1 3 301.350 2.834 20 0 DFADHM Fc1ccc(CSCc2ccccn2)c(-c2nn[n-]n2)c1 ZINC000826374859 609184047 /nfs/dbraw/zinc/18/40/47/609184047.db2.gz OUYUEARAOKQYED-UHFFFAOYSA-N -1 3 301.350 2.834 20 0 DFADHM Fc1ccc(CSCc2ccccn2)cc1-c1nnn[n-]1 ZINC000826374922 609185763 /nfs/dbraw/zinc/18/57/63/609185763.db2.gz RUJFSSVRASIDLV-UHFFFAOYSA-N -1 3 301.350 2.834 20 0 DFADHM Fc1ccc(CSCc2ccccn2)cc1-c1nn[n-]n1 ZINC000826374922 609185764 /nfs/dbraw/zinc/18/57/64/609185764.db2.gz RUJFSSVRASIDLV-UHFFFAOYSA-N -1 3 301.350 2.834 20 0 DFADHM CC(C)c1ccc([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824347820 609188741 /nfs/dbraw/zinc/18/87/41/609188741.db2.gz OSDSMSOVRGZAJF-NSHDSACASA-N -1 3 324.388 2.809 20 0 DFADHM CC(C)c1ccc([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824347820 609188742 /nfs/dbraw/zinc/18/87/42/609188742.db2.gz OSDSMSOVRGZAJF-NSHDSACASA-N -1 3 324.388 2.809 20 0 DFADHM CC(C)CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000824249226 609203342 /nfs/dbraw/zinc/20/33/42/609203342.db2.gz LSHACMMWGZXAEZ-UHFFFAOYSA-N -1 3 316.409 2.626 20 0 DFADHM CC(C)CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000824249226 609203344 /nfs/dbraw/zinc/20/33/44/609203344.db2.gz LSHACMMWGZXAEZ-UHFFFAOYSA-N -1 3 316.409 2.626 20 0 DFADHM c1ccc(-c2nnc(NCc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000826519390 609208448 /nfs/dbraw/zinc/20/84/48/609208448.db2.gz WNBGALFAJBRECL-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM c1ccc(-c2nnc(NCc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000826519390 609208449 /nfs/dbraw/zinc/20/84/49/609208449.db2.gz WNBGALFAJBRECL-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM CC(C)CC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC000824237695 609223434 /nfs/dbraw/zinc/22/34/34/609223434.db2.gz UCXXNXKZKHMBOD-UHFFFAOYSA-N -1 3 316.409 2.531 20 0 DFADHM CC(C)CC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC000824237695 609223435 /nfs/dbraw/zinc/22/34/35/609223435.db2.gz UCXXNXKZKHMBOD-UHFFFAOYSA-N -1 3 316.409 2.531 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824915207 609228192 /nfs/dbraw/zinc/22/81/92/609228192.db2.gz CIGMXWGCQBVNTD-QMTHXVAHSA-N -1 3 322.372 2.563 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824915207 609228193 /nfs/dbraw/zinc/22/81/93/609228193.db2.gz CIGMXWGCQBVNTD-QMTHXVAHSA-N -1 3 322.372 2.563 20 0 DFADHM CC(C)Cn1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000824280392 609252339 /nfs/dbraw/zinc/25/23/39/609252339.db2.gz LWHYIJNSMMVWTA-GFCCVEGCSA-N -1 3 311.393 2.892 20 0 DFADHM CC(C)Cn1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000824280392 609252341 /nfs/dbraw/zinc/25/23/41/609252341.db2.gz LWHYIJNSMMVWTA-GFCCVEGCSA-N -1 3 311.393 2.892 20 0 DFADHM C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824663000 609253153 /nfs/dbraw/zinc/25/31/53/609253153.db2.gz UIXKWUQKIWSPRX-LLVKDONJSA-N -1 3 311.393 2.991 20 0 DFADHM C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824663000 609253155 /nfs/dbraw/zinc/25/31/55/609253155.db2.gz UIXKWUQKIWSPRX-LLVKDONJSA-N -1 3 311.393 2.991 20 0 DFADHM C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824663001 609253279 /nfs/dbraw/zinc/25/32/79/609253279.db2.gz UIXKWUQKIWSPRX-NSHDSACASA-N -1 3 311.393 2.991 20 0 DFADHM C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824663001 609253280 /nfs/dbraw/zinc/25/32/80/609253280.db2.gz UIXKWUQKIWSPRX-NSHDSACASA-N -1 3 311.393 2.991 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)ncn2C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824655477 609279513 /nfs/dbraw/zinc/27/95/13/609279513.db2.gz CVGMXJDDUWCWPQ-LLVKDONJSA-N -1 3 319.372 2.927 20 0 DFADHM CCC(C)(CC)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825042902 609299317 /nfs/dbraw/zinc/29/93/17/609299317.db2.gz BTGCAMOJIIOGAU-UHFFFAOYSA-N -1 3 307.785 2.829 20 0 DFADHM CCC(C)(CC)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825042902 609299318 /nfs/dbraw/zinc/29/93/18/609299318.db2.gz BTGCAMOJIIOGAU-UHFFFAOYSA-N -1 3 307.785 2.829 20 0 DFADHM COCCC[C@H](C)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000826155212 609304180 /nfs/dbraw/zinc/30/41/80/609304180.db2.gz JSYCJAWUDWEQHJ-QMMMGPOBSA-N -1 3 323.422 2.546 20 0 DFADHM COCCC[C@H](C)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000826155212 609304182 /nfs/dbraw/zinc/30/41/82/609304182.db2.gz JSYCJAWUDWEQHJ-QMMMGPOBSA-N -1 3 323.422 2.546 20 0 DFADHM C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@H]1F ZINC000824962108 609319348 /nfs/dbraw/zinc/31/93/48/609319348.db2.gz OGEVYRBWCPBAFA-GXFFZTMASA-N -1 3 312.352 2.599 20 0 DFADHM C[C@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@H]1F ZINC000824962108 609319350 /nfs/dbraw/zinc/31/93/50/609319350.db2.gz OGEVYRBWCPBAFA-GXFFZTMASA-N -1 3 312.352 2.599 20 0 DFADHM CCC(CC)[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000825107861 609322205 /nfs/dbraw/zinc/32/22/05/609322205.db2.gz SBCHJTSRLXCLDN-UONOGXRCSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000825107861 609322206 /nfs/dbraw/zinc/32/22/06/609322206.db2.gz SBCHJTSRLXCLDN-UONOGXRCSA-N -1 3 316.409 2.657 20 0 DFADHM Cc1cc(COC(=O)c2c[nH]c(-c3nnn[n-]3)c2)ccc1Cl ZINC000826267632 609364615 /nfs/dbraw/zinc/36/46/15/609364615.db2.gz NUZHCKBHXCBLKE-UHFFFAOYSA-N -1 3 317.736 2.514 20 0 DFADHM Cc1cc(COC(=O)c2c[nH]c(-c3nn[n-]n3)c2)ccc1Cl ZINC000826267632 609364616 /nfs/dbraw/zinc/36/46/16/609364616.db2.gz NUZHCKBHXCBLKE-UHFFFAOYSA-N -1 3 317.736 2.514 20 0 DFADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CC=CCC3)c2c1 ZINC000826352439 609430336 /nfs/dbraw/zinc/43/03/36/609430336.db2.gz ASLFZUNQNZKWEZ-UHFFFAOYSA-N -1 3 312.764 2.835 20 0 DFADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CC=CCC3)c2c1 ZINC000826352439 609430337 /nfs/dbraw/zinc/43/03/37/609430337.db2.gz ASLFZUNQNZKWEZ-UHFFFAOYSA-N -1 3 312.764 2.835 20 0 DFADHM Fc1cccc(N2CC(Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826377138 609436159 /nfs/dbraw/zinc/43/61/59/609436159.db2.gz GQFRDSUQLNSZKT-UHFFFAOYSA-N -1 3 309.348 2.685 20 0 DFADHM Fc1cccc(N2CC(Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826377138 609436161 /nfs/dbraw/zinc/43/61/61/609436161.db2.gz GQFRDSUQLNSZKT-UHFFFAOYSA-N -1 3 309.348 2.685 20 0 DFADHM COC(=O)[C@@H](CC(C)(C)C)Sc1ccccc1-c1nnn[n-]1 ZINC000826104046 609448761 /nfs/dbraw/zinc/44/87/61/609448761.db2.gz OMFWQYGQAPIRGJ-GFCCVEGCSA-N -1 3 320.418 2.937 20 0 DFADHM COC(=O)[C@@H](CC(C)(C)C)Sc1ccccc1-c1nn[n-]n1 ZINC000826104046 609448763 /nfs/dbraw/zinc/44/87/63/609448763.db2.gz OMFWQYGQAPIRGJ-GFCCVEGCSA-N -1 3 320.418 2.937 20 0 DFADHM Cc1ccc(-c2n[nH]cc2CNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000324154800 609473608 /nfs/dbraw/zinc/47/36/08/609473608.db2.gz CGFBWWKGQTWSOR-UHFFFAOYSA-N -1 3 321.344 2.770 20 0 DFADHM Cc1ccc(-c2n[nH]cc2CNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000324154800 609473610 /nfs/dbraw/zinc/47/36/10/609473610.db2.gz CGFBWWKGQTWSOR-UHFFFAOYSA-N -1 3 321.344 2.770 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(F)cc1C ZINC000826176329 609479138 /nfs/dbraw/zinc/47/91/38/609479138.db2.gz KSNJDOVTRYKYHB-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(F)cc1C ZINC000826176329 609479139 /nfs/dbraw/zinc/47/91/39/609479139.db2.gz KSNJDOVTRYKYHB-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(F)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826208856 609479168 /nfs/dbraw/zinc/47/91/68/609479168.db2.gz COCGNEFWRJIQQF-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(F)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826208856 609479169 /nfs/dbraw/zinc/47/91/69/609479169.db2.gz COCGNEFWRJIQQF-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Cc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)nc1 ZINC000826288353 609480190 /nfs/dbraw/zinc/48/01/90/609480190.db2.gz CMTPBJLGYDRBNM-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM Cc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)nc1 ZINC000826288353 609480193 /nfs/dbraw/zinc/48/01/93/609480193.db2.gz CMTPBJLGYDRBNM-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM Cc1ncccc1CNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826330823 609480581 /nfs/dbraw/zinc/48/05/81/609480581.db2.gz JFVLJCFJXYLUEM-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM Cc1ncccc1CNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826330823 609480582 /nfs/dbraw/zinc/48/05/82/609480582.db2.gz JFVLJCFJXYLUEM-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM COCc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826164975 609480634 /nfs/dbraw/zinc/48/06/34/609480634.db2.gz ZDWGOLONPPGHQP-UHFFFAOYSA-N -1 3 309.373 2.934 20 0 DFADHM COCc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826164975 609480636 /nfs/dbraw/zinc/48/06/36/609480636.db2.gz ZDWGOLONPPGHQP-UHFFFAOYSA-N -1 3 309.373 2.934 20 0 DFADHM C[C@H]1CCC[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000824925175 609491359 /nfs/dbraw/zinc/49/13/59/609491359.db2.gz BETZDDJAAUFGBW-JQWIXIFHSA-N -1 3 316.409 2.798 20 0 DFADHM C[C@H]1CCC[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000824925175 609491363 /nfs/dbraw/zinc/49/13/63/609491363.db2.gz BETZDDJAAUFGBW-JQWIXIFHSA-N -1 3 316.409 2.798 20 0 DFADHM CCOc1cccc(COc2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000825648849 609502626 /nfs/dbraw/zinc/50/26/26/609502626.db2.gz DVNLPBPVZASFQI-UHFFFAOYSA-N -1 3 311.345 2.548 20 0 DFADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824927811 609507599 /nfs/dbraw/zinc/50/75/99/609507599.db2.gz QINFHYMFNCDCFW-SCZZXKLOSA-N -1 3 305.769 2.895 20 0 DFADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824927811 609507600 /nfs/dbraw/zinc/50/76/00/609507600.db2.gz QINFHYMFNCDCFW-SCZZXKLOSA-N -1 3 305.769 2.895 20 0 DFADHM Cc1ccncc1C=CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826315292 609509022 /nfs/dbraw/zinc/50/90/22/609509022.db2.gz FLBJJNRHCRJYNN-SREVYHEPSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1ccncc1C=CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826315292 609509023 /nfs/dbraw/zinc/50/90/23/609509023.db2.gz FLBJJNRHCRJYNN-SREVYHEPSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@H](C)C[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826237040 609518317 /nfs/dbraw/zinc/51/83/17/609518317.db2.gz LUFSIVDXASGYPW-RKDXNWHRSA-N -1 3 306.801 2.706 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@H](C)C[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826237040 609518318 /nfs/dbraw/zinc/51/83/18/609518318.db2.gz LUFSIVDXASGYPW-RKDXNWHRSA-N -1 3 306.801 2.706 20 0 DFADHM Cc1c(Cl)cnc(N(C)Cc2cccs2)c1-c1nnn[n-]1 ZINC000826236991 609520207 /nfs/dbraw/zinc/52/02/07/609520207.db2.gz KGESDVIQPMAVKG-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1c(Cl)cnc(N(C)Cc2cccs2)c1-c1nn[n-]n1 ZINC000826236991 609520209 /nfs/dbraw/zinc/52/02/09/609520209.db2.gz KGESDVIQPMAVKG-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825051894 609521458 /nfs/dbraw/zinc/52/14/58/609521458.db2.gz UKYCRTQRABFBDR-NWDGAFQWSA-N -1 3 301.394 2.507 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825051894 609521460 /nfs/dbraw/zinc/52/14/60/609521460.db2.gz UKYCRTQRABFBDR-NWDGAFQWSA-N -1 3 301.394 2.507 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1cccc(C)c1F ZINC000826173165 609522201 /nfs/dbraw/zinc/52/22/01/609522201.db2.gz PNHIQZQAVXKURU-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1cccc(C)c1F ZINC000826173165 609522202 /nfs/dbraw/zinc/52/22/02/609522202.db2.gz PNHIQZQAVXKURU-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM Cc1ccnc(N2Cc3ccccc3[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826311597 609523443 /nfs/dbraw/zinc/52/34/43/609523443.db2.gz IYBRHFAVPYEYIR-LBPRGKRZSA-N -1 3 306.373 2.694 20 0 DFADHM Cc1ccnc(N2Cc3ccccc3[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826311597 609523444 /nfs/dbraw/zinc/52/34/44/609523444.db2.gz IYBRHFAVPYEYIR-LBPRGKRZSA-N -1 3 306.373 2.694 20 0 DFADHM Cc1ccnc(N2CCc3sccc3[C@H]2C)c1-c1nnn[n-]1 ZINC000826311385 609525524 /nfs/dbraw/zinc/52/55/24/609525524.db2.gz CGJMWTDUKOPTEM-SNVBAGLBSA-N -1 3 312.402 2.755 20 0 DFADHM Cc1ccnc(N2CCc3sccc3[C@H]2C)c1-c1nn[n-]n1 ZINC000826311385 609525527 /nfs/dbraw/zinc/52/55/27/609525527.db2.gz CGJMWTDUKOPTEM-SNVBAGLBSA-N -1 3 312.402 2.755 20 0 DFADHM Cc1ccnc(N2CCC[C@@H]2c2ccsc2)c1-c1nnn[n-]1 ZINC000826311111 609535225 /nfs/dbraw/zinc/53/52/25/609535225.db2.gz UBWRZKPWXRLFCK-GFCCVEGCSA-N -1 3 312.402 2.973 20 0 DFADHM Cc1ccnc(N2CCC[C@@H]2c2ccsc2)c1-c1nn[n-]n1 ZINC000826311111 609535226 /nfs/dbraw/zinc/53/52/26/609535226.db2.gz UBWRZKPWXRLFCK-GFCCVEGCSA-N -1 3 312.402 2.973 20 0 DFADHM Cc1ccccc1C[C@@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000826306591 609537330 /nfs/dbraw/zinc/53/73/30/609537330.db2.gz FEWODAWXECSXNQ-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccccc1C[C@@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000826306591 609537332 /nfs/dbraw/zinc/53/73/32/609537332.db2.gz FEWODAWXECSXNQ-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccnc(N(C)[C@H](C)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826309631 609537672 /nfs/dbraw/zinc/53/76/72/609537672.db2.gz WHQCMDWOGZXANM-LLVKDONJSA-N -1 3 312.352 2.907 20 0 DFADHM Cc1ccnc(N(C)[C@H](C)c2ccccc2F)c1-c1nn[n-]n1 ZINC000826309631 609537673 /nfs/dbraw/zinc/53/76/73/609537673.db2.gz WHQCMDWOGZXANM-LLVKDONJSA-N -1 3 312.352 2.907 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@@H]2C2CCC2)c1-c1nnn[n-]1 ZINC000826238114 609546831 /nfs/dbraw/zinc/54/68/31/609546831.db2.gz WVNNGLWRYQBSSO-GFCCVEGCSA-N -1 3 318.812 2.992 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@@H]2C2CCC2)c1-c1nn[n-]n1 ZINC000826238114 609546832 /nfs/dbraw/zinc/54/68/32/609546832.db2.gz WVNNGLWRYQBSSO-GFCCVEGCSA-N -1 3 318.812 2.992 20 0 DFADHM CCS[C@H]1CCCCN(c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000825668165 609550786 /nfs/dbraw/zinc/55/07/86/609550786.db2.gz CHECMYNYWMPXBA-LBPRGKRZSA-N -1 3 318.450 2.682 20 0 DFADHM CCS[C@H]1CCCCN(c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000825668165 609550787 /nfs/dbraw/zinc/55/07/87/609550787.db2.gz CHECMYNYWMPXBA-LBPRGKRZSA-N -1 3 318.450 2.682 20 0 DFADHM Cc1c(Cl)cnc(N2CCS[C@@H](C)[C@@H]2C)c1-c1nnn[n-]1 ZINC000826239088 609557004 /nfs/dbraw/zinc/55/70/04/609557004.db2.gz XSNOLHQPYISXQN-IUCAKERBSA-N -1 3 324.841 2.554 20 0 DFADHM Cc1c(Cl)cnc(N2CCS[C@@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000826239088 609557007 /nfs/dbraw/zinc/55/70/07/609557007.db2.gz XSNOLHQPYISXQN-IUCAKERBSA-N -1 3 324.841 2.554 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@H](C)[C@H]2C)c1-c1nnn[n-]1 ZINC000826238085 609559959 /nfs/dbraw/zinc/55/99/59/609559959.db2.gz VWWUTGOERWLZAJ-WCBMZHEXSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000826238085 609559960 /nfs/dbraw/zinc/55/99/60/609559960.db2.gz VWWUTGOERWLZAJ-WCBMZHEXSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1ccnc(N2C[C@@H](C)[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826309081 609563743 /nfs/dbraw/zinc/56/37/43/609563743.db2.gz CJWNPFWZONDPIR-DOMZBBRYSA-N -1 3 306.373 2.768 20 0 DFADHM Cc1ccnc(N2C[C@@H](C)[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826309081 609563746 /nfs/dbraw/zinc/56/37/46/609563746.db2.gz CJWNPFWZONDPIR-DOMZBBRYSA-N -1 3 306.373 2.768 20 0 DFADHM Cc1c(Cl)cnc(N2CCC3(CCCC3)C2)c1-c1nnn[n-]1 ZINC000826237577 609563990 /nfs/dbraw/zinc/56/39/90/609563990.db2.gz DZSMUZBAVFTWQH-UHFFFAOYSA-N -1 3 318.812 2.994 20 0 DFADHM Cc1c(Cl)cnc(N2CCC3(CCCC3)C2)c1-c1nn[n-]n1 ZINC000826237577 609563992 /nfs/dbraw/zinc/56/39/92/609563992.db2.gz DZSMUZBAVFTWQH-UHFFFAOYSA-N -1 3 318.812 2.994 20 0 DFADHM CCSCC[C@H](C)N(C)c1nccc(C)c1-c1nnn[n-]1 ZINC000825674863 609565542 /nfs/dbraw/zinc/56/55/42/609565542.db2.gz SYVJLZWVTNBJPJ-NSHDSACASA-N -1 3 306.439 2.538 20 0 DFADHM CCSCC[C@H](C)N(C)c1nccc(C)c1-c1nn[n-]n1 ZINC000825674863 609565547 /nfs/dbraw/zinc/56/55/47/609565547.db2.gz SYVJLZWVTNBJPJ-NSHDSACASA-N -1 3 306.439 2.538 20 0 DFADHM CCC[C@H]1[C@@H](C)CCCN1c1nccc(C)c1-c1nnn[n-]1 ZINC000825254821 609570005 /nfs/dbraw/zinc/57/00/05/609570005.db2.gz VCSCGSUANPKKLO-AAEUAGOBSA-N -1 3 300.410 2.975 20 0 DFADHM CCC[C@H]1[C@@H](C)CCCN1c1nccc(C)c1-c1nn[n-]n1 ZINC000825254821 609570006 /nfs/dbraw/zinc/57/00/06/609570006.db2.gz VCSCGSUANPKKLO-AAEUAGOBSA-N -1 3 300.410 2.975 20 0 DFADHM CCN(Cc1ccccc1C)c1nccc(C)c1-c1nnn[n-]1 ZINC000825439888 609578009 /nfs/dbraw/zinc/57/80/09/609578009.db2.gz SGQHYLZBRUBXTF-UHFFFAOYSA-N -1 3 308.389 2.905 20 0 DFADHM CCN(Cc1ccccc1C)c1nccc(C)c1-c1nn[n-]n1 ZINC000825439888 609578011 /nfs/dbraw/zinc/57/80/11/609578011.db2.gz SGQHYLZBRUBXTF-UHFFFAOYSA-N -1 3 308.389 2.905 20 0 DFADHM Cc1ccnc(NCCCSCC(C)C)c1-c1nnn[n-]1 ZINC000826313964 609581928 /nfs/dbraw/zinc/58/19/28/609581928.db2.gz ZRDMVLMGPQDMKA-UHFFFAOYSA-N -1 3 306.439 2.761 20 0 DFADHM Cc1ccnc(NCCCSCC(C)C)c1-c1nn[n-]n1 ZINC000826313964 609581929 /nfs/dbraw/zinc/58/19/29/609581929.db2.gz ZRDMVLMGPQDMKA-UHFFFAOYSA-N -1 3 306.439 2.761 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1NCC[C@H]1CCCCO1 ZINC000826352888 609583982 /nfs/dbraw/zinc/58/39/82/609583982.db2.gz RKUZBTOBIKUHDX-SNVBAGLBSA-N -1 3 307.785 2.891 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1NCC[C@H]1CCCCO1 ZINC000826352888 609583984 /nfs/dbraw/zinc/58/39/84/609583984.db2.gz RKUZBTOBIKUHDX-SNVBAGLBSA-N -1 3 307.785 2.891 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H]2CCCCS2)n1 ZINC000826262199 609587749 /nfs/dbraw/zinc/58/77/49/609587749.db2.gz HQRIQUXLKGWCDU-LLVKDONJSA-N -1 3 304.423 2.576 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H]2CCCCS2)n1 ZINC000826262199 609587750 /nfs/dbraw/zinc/58/77/50/609587750.db2.gz HQRIQUXLKGWCDU-LLVKDONJSA-N -1 3 304.423 2.576 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825053012 609588789 /nfs/dbraw/zinc/58/87/89/609588789.db2.gz ZKONGUNAFVJHSG-VXGBXAGGSA-N -1 3 301.394 2.902 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825053012 609588792 /nfs/dbraw/zinc/58/87/92/609588792.db2.gz ZKONGUNAFVJHSG-VXGBXAGGSA-N -1 3 301.394 2.902 20 0 DFADHM COc1ccc2c(c1)CC[C@@H](Nc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000826211967 609590277 /nfs/dbraw/zinc/59/02/77/609590277.db2.gz BUDDBVDFAYNRAU-MRXNPFEDSA-N -1 3 321.384 2.845 20 0 DFADHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CC(C)(C)C1 ZINC000824999368 609591912 /nfs/dbraw/zinc/59/19/12/609591912.db2.gz GBQSWJONWWTQHS-VIFPVBQESA-N -1 3 306.801 2.788 20 0 DFADHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CC(C)(C)C1 ZINC000824999368 609591913 /nfs/dbraw/zinc/59/19/13/609591913.db2.gz GBQSWJONWWTQHS-VIFPVBQESA-N -1 3 306.801 2.788 20 0 DFADHM C[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CC(C)(C)C1 ZINC000824999367 609592348 /nfs/dbraw/zinc/59/23/48/609592348.db2.gz GBQSWJONWWTQHS-SECBINFHSA-N -1 3 306.801 2.788 20 0 DFADHM C[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CC(C)(C)C1 ZINC000824999367 609592351 /nfs/dbraw/zinc/59/23/51/609592351.db2.gz GBQSWJONWWTQHS-SECBINFHSA-N -1 3 306.801 2.788 20 0 DFADHM C[C@H]1C[C@@H](CCNc2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824883954 609596613 /nfs/dbraw/zinc/59/66/13/609596613.db2.gz KEIUWWFRVKVYBQ-UWVGGRQHSA-N -1 3 322.800 2.532 20 0 DFADHM C[C@H]1C[C@@H](CCNc2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824883954 609596615 /nfs/dbraw/zinc/59/66/15/609596615.db2.gz KEIUWWFRVKVYBQ-UWVGGRQHSA-N -1 3 322.800 2.532 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000825051467 609639297 /nfs/dbraw/zinc/63/92/97/609639297.db2.gz QALVOJXZPFHSRL-KTKRTIGZSA-N -1 3 304.325 2.795 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000825051467 609639298 /nfs/dbraw/zinc/63/92/98/609639298.db2.gz QALVOJXZPFHSRL-KTKRTIGZSA-N -1 3 304.325 2.795 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825061344 609640637 /nfs/dbraw/zinc/64/06/37/609640637.db2.gz XBANANWDRMLFAP-QWRGUYRKSA-N -1 3 318.377 2.601 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825061344 609640639 /nfs/dbraw/zinc/64/06/39/609640639.db2.gz XBANANWDRMLFAP-QWRGUYRKSA-N -1 3 318.377 2.601 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825059786 609642386 /nfs/dbraw/zinc/64/23/86/609642386.db2.gz KLZJTEOEIWIAQX-UWVGGRQHSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825059786 609642387 /nfs/dbraw/zinc/64/23/87/609642387.db2.gz KLZJTEOEIWIAQX-UWVGGRQHSA-N -1 3 306.341 2.731 20 0 DFADHM CCc1nc([N-]C(=O)c2cc(C(C)C)on2)sc1C(=O)OC ZINC000162084197 197542509 /nfs/dbraw/zinc/54/25/09/197542509.db2.gz NNZMTMMCANHRHF-UHFFFAOYSA-N -1 3 323.374 2.856 20 0 DFADHM CC1(C)CC[C@@H](C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)O1 ZINC000278485137 214185088 /nfs/dbraw/zinc/18/50/88/214185088.db2.gz GGNHGQCUKSWOOJ-JTQLQIEISA-N -1 3 322.315 2.646 20 0 DFADHM CC1(C)CC[C@@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)O1 ZINC000278485137 214185090 /nfs/dbraw/zinc/18/50/90/214185090.db2.gz GGNHGQCUKSWOOJ-JTQLQIEISA-N -1 3 322.315 2.646 20 0 DFADHM CC1(C)CC[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)O1 ZINC000278485137 214185094 /nfs/dbraw/zinc/18/50/94/214185094.db2.gz GGNHGQCUKSWOOJ-JTQLQIEISA-N -1 3 322.315 2.646 20 0 DFADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H]1CCCC(C)(C)C1=O ZINC000412986192 295666354 /nfs/dbraw/zinc/66/63/54/295666354.db2.gz HFXMCRKGSXTEIY-VIFPVBQESA-N -1 3 324.402 2.517 20 0 DFADHM CC[C@H](CO)N(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000295700360 529375231 /nfs/dbraw/zinc/37/52/31/529375231.db2.gz APQDJVOVIAJLSR-OAHLLOKOSA-N -1 3 301.386 2.707 20 0 DFADHM CCOc1ccc(NC([O-])=NOCC(C)(C)O)cc1Cl ZINC000278510871 214202051 /nfs/dbraw/zinc/20/20/51/214202051.db2.gz BHLFZJVRRUNODX-UHFFFAOYSA-N -1 3 302.758 2.563 20 0 DFADHM CCOc1ccc(NC(=O)[N-]OCC(C)(C)O)cc1Cl ZINC000278510871 214202053 /nfs/dbraw/zinc/20/20/53/214202053.db2.gz BHLFZJVRRUNODX-UHFFFAOYSA-N -1 3 302.758 2.563 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3CCS[C@H](C)C3)c[n-]c12 ZINC000163209897 197617010 /nfs/dbraw/zinc/61/70/10/197617010.db2.gz SVMAKOPPWRZJNC-LLVKDONJSA-N -1 3 302.399 2.826 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)NCC(=O)C(C)(C)C)c[n-]c12 ZINC000278498977 214193328 /nfs/dbraw/zinc/19/33/28/214193328.db2.gz ZOFUBULJAMXTFX-UHFFFAOYSA-N -1 3 318.348 2.733 20 0 DFADHM CC(C)(O)CON=C([O-])Nc1ccc(Cl)c(OC(F)F)c1 ZINC000278537302 214219544 /nfs/dbraw/zinc/21/95/44/214219544.db2.gz JIHZYIHEABWAGD-UHFFFAOYSA-N -1 3 324.711 2.765 20 0 DFADHM CC(C)(O)CO[N-]C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000278537302 214219546 /nfs/dbraw/zinc/21/95/46/214219546.db2.gz JIHZYIHEABWAGD-UHFFFAOYSA-N -1 3 324.711 2.765 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@@H](CC(F)(F)F)C2)on1 ZINC000278585594 214257216 /nfs/dbraw/zinc/25/72/16/214257216.db2.gz DABZBGCKTXHWHT-ZJUUUORDSA-N -1 3 305.300 2.584 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000272856248 210250929 /nfs/dbraw/zinc/25/09/29/210250929.db2.gz UDPJCXXSPSYMOH-GOSISDBHSA-N -1 3 311.381 2.978 20 0 DFADHM C[C@@H](CS(=O)(=O)[N-]c1c(F)cccc1CO)c1ccccc1 ZINC000305702973 231021266 /nfs/dbraw/zinc/02/12/66/231021266.db2.gz UWZHZOCICZAOIM-LBPRGKRZSA-N -1 3 323.389 2.863 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H](CCO)c1ccccc1 ZINC000305740551 231034560 /nfs/dbraw/zinc/03/45/60/231034560.db2.gz NFMRTBUTIVXAJT-INIZCTEOSA-N -1 3 319.788 2.828 20 0 DFADHM CC(C)Oc1c(Cl)cccc1NC([O-])=NOCC(C)(C)O ZINC000278683409 214324212 /nfs/dbraw/zinc/32/42/12/214324212.db2.gz RUFCGLJYYPUCFC-UHFFFAOYSA-N -1 3 316.785 2.951 20 0 DFADHM CC(C)Oc1c(Cl)cccc1NC(=O)[N-]OCC(C)(C)O ZINC000278683409 214324213 /nfs/dbraw/zinc/32/42/13/214324213.db2.gz RUFCGLJYYPUCFC-UHFFFAOYSA-N -1 3 316.785 2.951 20 0 DFADHM CC(C)(O)CON=C([O-])Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000278729581 214361601 /nfs/dbraw/zinc/36/16/01/214361601.db2.gz VPRMZLJNYJYGBB-UHFFFAOYSA-N -1 3 321.377 2.949 20 0 DFADHM CC(C)(O)CO[N-]C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000278729581 214361603 /nfs/dbraw/zinc/36/16/03/214361603.db2.gz VPRMZLJNYJYGBB-UHFFFAOYSA-N -1 3 321.377 2.949 20 0 DFADHM Cc1nc(-c2cccc(NC([O-])=NOCC(C)(C)O)c2)oc1C ZINC000278732222 214362794 /nfs/dbraw/zinc/36/27/94/214362794.db2.gz VUDSWWOAHLZIPQ-UHFFFAOYSA-N -1 3 319.361 2.782 20 0 DFADHM Cc1nc(-c2cccc(NC(=O)[N-]OCC(C)(C)O)c2)oc1C ZINC000278732222 214362797 /nfs/dbraw/zinc/36/27/97/214362797.db2.gz VUDSWWOAHLZIPQ-UHFFFAOYSA-N -1 3 319.361 2.782 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2ccccc2-n2cccn2)c1 ZINC000127732775 282955386 /nfs/dbraw/zinc/95/53/86/282955386.db2.gz WWRYTYOJQWLDHA-UHFFFAOYSA-N -1 3 323.352 2.517 20 0 DFADHM CCc1cc(C(=O)N([C@@H](C)C(=O)OC)C2CCC2)ccc1[O-] ZINC000292830669 529511357 /nfs/dbraw/zinc/51/13/57/529511357.db2.gz JLRFLZCVNAHKTI-NSHDSACASA-N -1 3 305.374 2.511 20 0 DFADHM CC(C)N(Cc1cccc([O-])c1Br)C[C@@H](C)O ZINC000459341397 299083555 /nfs/dbraw/zinc/08/35/55/299083555.db2.gz WDKRYOQHBWFBJK-SNVBAGLBSA-N -1 3 302.212 2.746 20 0 DFADHM CO[C@@]1(C)C[C@@H](N(C)Cc2cc(=O)[n-]c(C3CC3)n2)C1(C)C ZINC000459345871 299084586 /nfs/dbraw/zinc/08/45/86/299084586.db2.gz AWEYUTPSCSDKBM-DYVFJYSZSA-N -1 3 305.422 2.695 20 0 DFADHM CC(C)Nc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cn1 ZINC000081959758 398377226 /nfs/dbraw/zinc/37/72/26/398377226.db2.gz GKPUBODWDHMSTH-UHFFFAOYSA-N -1 3 303.337 2.677 20 0 DFADHM CCCn1c2ccccc2nc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000010652735 398378519 /nfs/dbraw/zinc/37/85/19/398378519.db2.gz SUQZUXHAZKJNOZ-UHFFFAOYSA-N -1 3 320.356 2.970 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000292802025 529670917 /nfs/dbraw/zinc/67/09/17/529670917.db2.gz RJAZEBNIRZXBHH-LBPRGKRZSA-N -1 3 320.393 2.706 20 0 DFADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)cc1F ZINC000010744633 398379252 /nfs/dbraw/zinc/37/92/52/398379252.db2.gz JDIPIJHXXUGJGX-UHFFFAOYSA-N -1 3 315.316 2.891 20 0 DFADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444058514 297229634 /nfs/dbraw/zinc/22/96/34/297229634.db2.gz OGAGHTPVOWENLG-YUMQZZPRSA-N -1 3 311.300 2.779 20 0 DFADHM O=c1cc(CN2CCCSCC2)nc(-c2ccccc2)[n-]1 ZINC000459388250 299094256 /nfs/dbraw/zinc/09/42/56/299094256.db2.gz KMDCGWLMVHNINW-UHFFFAOYSA-N -1 3 301.415 2.788 20 0 DFADHM COCC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccco1 ZINC000459395790 299096103 /nfs/dbraw/zinc/09/61/03/299096103.db2.gz BOJRGBPRLVPMJY-ZDUSSCGKSA-N -1 3 303.362 2.520 20 0 DFADHM CC[C@@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000459403844 299097680 /nfs/dbraw/zinc/09/76/80/299097680.db2.gz LSGSRASAZCRHRE-HZPDHXFCSA-N -1 3 313.401 2.896 20 0 DFADHM Cc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1C ZINC000092937751 185349801 /nfs/dbraw/zinc/34/98/01/185349801.db2.gz DCLYAAVCIXPAPA-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM Cc1cccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)c1C ZINC000092937674 185349855 /nfs/dbraw/zinc/34/98/55/185349855.db2.gz XSLOPYLQSCDGBM-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@H](COC)c2ccc(F)c(F)c2)n1 ZINC000181418821 199293920 /nfs/dbraw/zinc/29/39/20/199293920.db2.gz LXCBAXJAMPZQEO-CQSZACIVSA-N -1 3 323.343 2.500 20 0 DFADHM CC(C)Cc1ncc(C[N-]c2nc(-c3nccn3C)no2)s1 ZINC000181532485 199313118 /nfs/dbraw/zinc/31/31/18/199313118.db2.gz KQEZVDDPMFJOOZ-UHFFFAOYSA-N -1 3 318.406 2.737 20 0 DFADHM O=C([O-])CCCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000181567808 199319021 /nfs/dbraw/zinc/31/90/21/199319021.db2.gz FZLKXLVWSHLFBD-AWEZNQCLSA-N -1 3 307.365 2.975 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c(Cl)c1 ZINC000016726188 398402366 /nfs/dbraw/zinc/40/23/66/398402366.db2.gz NCYYFWCTVPVAHT-UHFFFAOYSA-N -1 3 324.789 2.548 20 0 DFADHM Cc1ncc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)s1 ZINC000084662270 398406481 /nfs/dbraw/zinc/40/64/81/398406481.db2.gz QHJYYKCUAQDIFM-UHFFFAOYSA-N -1 3 318.370 2.517 20 0 DFADHM [O-]c1cccc(CN[C@@H]2CCc3n[nH]cc3C2)c1Br ZINC000459419386 299101578 /nfs/dbraw/zinc/10/15/78/299101578.db2.gz AEXXJXFAKJSXNC-LLVKDONJSA-N -1 3 322.206 2.525 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CC[C@@H](COc2ccccc2)C1 ZINC000272790383 210192648 /nfs/dbraw/zinc/19/26/48/210192648.db2.gz HJKBTHALLPZULG-CYBMUJFWSA-N -1 3 313.353 2.639 20 0 DFADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)(C)C)CC2)c1 ZINC000444222834 297233231 /nfs/dbraw/zinc/23/32/31/297233231.db2.gz QPINSIVRKXVRKX-QWHCGFSZSA-N -1 3 313.467 2.693 20 0 DFADHM O=c1[n-]c(=O)n(CCc2ccc3ccccc3c2)cc1Cl ZINC000085252722 398412965 /nfs/dbraw/zinc/41/29/65/398412965.db2.gz OXMNEYYXKKYETG-UHFFFAOYSA-N -1 3 300.745 2.586 20 0 DFADHM CCOC(=O)Cc1csc(NC(=O)c2ccc(C)cc2[O-])n1 ZINC000021487976 398413528 /nfs/dbraw/zinc/41/35/28/398413528.db2.gz VNFXOEFQGPIXCY-UHFFFAOYSA-N -1 3 320.370 2.515 20 0 DFADHM CN(CC1(CO)CC1)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000295073770 529853545 /nfs/dbraw/zinc/85/35/45/529853545.db2.gz ANKCKRUNGZINQW-UHFFFAOYSA-N -1 3 313.397 2.709 20 0 DFADHM CO[C@@H]1CN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)CC[C@@H]1C ZINC000286695349 219115292 /nfs/dbraw/zinc/11/52/92/219115292.db2.gz CZJQZINUMALARB-BLLLJJGKSA-N -1 3 314.385 2.746 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c1 ZINC000584836103 398419306 /nfs/dbraw/zinc/41/93/06/398419306.db2.gz GZLZWTYBYIYIRK-NXEZZACHSA-N -1 3 321.801 2.908 20 0 DFADHM CCOC(=O)c1cc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)[nH]n1 ZINC000592442713 398426233 /nfs/dbraw/zinc/42/62/33/398426233.db2.gz XCAAQKCSCKVLQC-VOTSOKGWSA-N -1 3 316.361 2.550 20 0 DFADHM Cc1ccc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)c([O-])c1 ZINC000022904344 398421496 /nfs/dbraw/zinc/42/14/96/398421496.db2.gz WCQHIGNMOPQISO-ZDUSSCGKSA-N -1 3 312.369 2.848 20 0 DFADHM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459430111 299104129 /nfs/dbraw/zinc/10/41/29/299104129.db2.gz CYJWSRJGBABTKM-GZMMTYOYSA-N -1 3 301.312 2.832 20 0 DFADHM O=C(NCCCNc1ncccc1Cl)c1cccc([O-])c1 ZINC000088718125 398440957 /nfs/dbraw/zinc/44/09/57/398440957.db2.gz XNCSVVYLJYGPCN-UHFFFAOYSA-N -1 3 305.765 2.673 20 0 DFADHM CC[C@@H](C)[C@@H](O)CNCc1cccc([O-])c1Br ZINC000459436100 299106388 /nfs/dbraw/zinc/10/63/88/299106388.db2.gz WWHYPCCMDNHPLK-SKDRFNHKSA-N -1 3 302.212 2.651 20 0 DFADHM COc1cc(C(=O)N2CC[C@@H](OCCC(C)C)C2)ccc1[O-] ZINC000272608830 398449364 /nfs/dbraw/zinc/44/93/64/398449364.db2.gz NIELOVNNSNHXDI-CQSZACIVSA-N -1 3 307.390 2.678 20 0 DFADHM CO[C@@H]1Cc2ccccc2N(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000459458755 299111230 /nfs/dbraw/zinc/11/12/30/299111230.db2.gz YXANGZFWFBCHLS-OAHLLOKOSA-N -1 3 311.385 2.637 20 0 DFADHM CCOC(=O)CN(C(=O)c1cc([O-])c2ccccc2c1)C(C)C ZINC000280847025 398461701 /nfs/dbraw/zinc/46/17/01/398461701.db2.gz JXADCDWVRAQHGR-UHFFFAOYSA-N -1 3 315.369 2.959 20 0 DFADHM CCc1nc([C@H]2CCCN(C(=O)c3cc(C)ccc3[O-])C2)no1 ZINC000067887646 398464113 /nfs/dbraw/zinc/46/41/13/398464113.db2.gz BHPQKEFCOKMUAG-LBPRGKRZSA-N -1 3 315.373 2.666 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)Cc2coc3ccccc23)[n-]1 ZINC000586811913 398464351 /nfs/dbraw/zinc/46/43/51/398464351.db2.gz ZEHVKCVDZNEVKX-UHFFFAOYSA-N -1 3 313.313 2.514 20 0 DFADHM CCOC(=O)c1nc(NC(=O)Cc2coc3ccccc23)c[n-]1 ZINC000586811913 398464353 /nfs/dbraw/zinc/46/43/53/398464353.db2.gz ZEHVKCVDZNEVKX-UHFFFAOYSA-N -1 3 313.313 2.514 20 0 DFADHM Cc1csc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC000067938708 398468040 /nfs/dbraw/zinc/46/80/40/398468040.db2.gz MSVABCQANYPHIO-JTQLQIEISA-N -1 3 313.382 2.784 20 0 DFADHM CC[C@@H](C)[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(F)(F)F ZINC000444536209 297239102 /nfs/dbraw/zinc/23/91/02/297239102.db2.gz PIEYDPYMWPQXIV-RDDDGLTNSA-N -1 3 300.284 2.665 20 0 DFADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000067950823 398468430 /nfs/dbraw/zinc/46/84/30/398468430.db2.gz AWBMFJMGCJASGQ-MRVPVSSYSA-N -1 3 318.370 2.769 20 0 DFADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)s2)n1 ZINC000067950944 398468618 /nfs/dbraw/zinc/46/86/18/398468618.db2.gz DTXZAVRDLWRTJR-SECBINFHSA-N -1 3 302.446 2.861 20 0 DFADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)n1 ZINC000067951296 398468669 /nfs/dbraw/zinc/46/86/69/398468669.db2.gz MXYJZHKKRYKFPZ-QMMMGPOBSA-N -1 3 318.370 2.769 20 0 DFADHM CC(C)(O)[C@@H]1CCCN1Cc1cccc([O-])c1Br ZINC000459473264 299115308 /nfs/dbraw/zinc/11/53/08/299115308.db2.gz BLCSMASZRIRQAE-LBPRGKRZSA-N -1 3 314.223 2.890 20 0 DFADHM C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(F)cc1F ZINC000028812937 398476075 /nfs/dbraw/zinc/47/60/75/398476075.db2.gz VZMCRFLOZAKKMX-QMMMGPOBSA-N -1 3 302.284 2.727 20 0 DFADHM Cc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)no1 ZINC000049051553 282388141 /nfs/dbraw/zinc/38/81/41/282388141.db2.gz OYEOIHRJCPFTDB-UHFFFAOYSA-N -1 3 321.185 2.768 20 0 DFADHM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc2c(c1)COC2 ZINC000068074918 398477444 /nfs/dbraw/zinc/47/74/44/398477444.db2.gz AVIHNAXYCGCUFW-UHFFFAOYSA-N -1 3 311.309 2.796 20 0 DFADHM CCc1ccc([C@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000068112029 398479514 /nfs/dbraw/zinc/47/95/14/398479514.db2.gz ROWSZWVQYGMTIJ-LBPRGKRZSA-N -1 3 321.384 2.593 20 0 DFADHM [O-]c1cccc(CN2CCC[C@@H]2CCO)c1Br ZINC000459494588 299120420 /nfs/dbraw/zinc/12/04/20/299120420.db2.gz BKEAIMVHVDQWLV-LLVKDONJSA-N -1 3 300.196 2.502 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)C[C@H](C)SC)c1[O-] ZINC000588099810 398482390 /nfs/dbraw/zinc/48/23/90/398482390.db2.gz BNQFEGOIONWPOY-ZETCQYMHSA-N -1 3 317.794 2.912 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)c2c(C)noc2C)c1[O-] ZINC000588100994 398483284 /nfs/dbraw/zinc/48/32/84/398483284.db2.gz SHTLUNZMXZFTMT-UHFFFAOYSA-N -1 3 324.720 2.689 20 0 DFADHM [O-]c1cccc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)c1Br ZINC000459501338 299122200 /nfs/dbraw/zinc/12/22/00/299122200.db2.gz DATBKYLHVYJWPA-DMDPSCGWSA-N -1 3 312.207 2.812 20 0 DFADHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(C)C)n1 ZINC000330979640 232266058 /nfs/dbraw/zinc/26/60/58/232266058.db2.gz WSDULUIHDLZALR-JTQLQIEISA-N -1 3 309.391 2.541 20 0 DFADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1ccccc1F ZINC000592819890 398490514 /nfs/dbraw/zinc/49/05/14/398490514.db2.gz DQVOLNDHYFEMLG-AWEZNQCLSA-N -1 3 309.337 2.931 20 0 DFADHM CCc1nc(CCNC(=O)c2cc(CC)ccc2[O-])cs1 ZINC000588228650 398490930 /nfs/dbraw/zinc/49/09/30/398490930.db2.gz UCBJCPISCOPSOC-UHFFFAOYSA-N -1 3 304.415 2.946 20 0 DFADHM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000029982217 398495188 /nfs/dbraw/zinc/49/51/88/398495188.db2.gz XMNZQYLTMFHMIU-UHFFFAOYSA-N -1 3 300.749 2.884 20 0 DFADHM C[C@H](O)C[C@H]1CCCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000331011547 232336003 /nfs/dbraw/zinc/33/60/03/232336003.db2.gz XWYAJOKGUKADBP-WCQYABFASA-N -1 3 311.809 2.740 20 0 DFADHM [O-]C(=NOC1CCCC1)Nc1ccncc1Br ZINC000272706554 210111329 /nfs/dbraw/zinc/11/13/29/210111329.db2.gz WHZVYGHCULWVBZ-UHFFFAOYSA-N -1 3 300.156 2.840 20 0 DFADHM O=C([N-]OC1CCCC1)Nc1ccncc1Br ZINC000272706554 210111332 /nfs/dbraw/zinc/11/13/32/210111332.db2.gz WHZVYGHCULWVBZ-UHFFFAOYSA-N -1 3 300.156 2.840 20 0 DFADHM Cc1ccc(C(F)(F)C(=O)[N-]C[C@@](C)(O)C(F)(F)F)cc1 ZINC000272708076 210112604 /nfs/dbraw/zinc/11/26/04/210112604.db2.gz WRRSEUDTUCZVIR-LLVKDONJSA-N -1 3 311.250 2.516 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCCCOC(C)C)c(F)c1 ZINC000181847031 199361100 /nfs/dbraw/zinc/36/11/00/199361100.db2.gz PFBHYOJTAYITIG-UHFFFAOYSA-N -1 3 303.399 2.618 20 0 DFADHM C[C@@H](c1ccccn1)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000068465545 398505562 /nfs/dbraw/zinc/50/55/62/398505562.db2.gz LFWCGDCTDWXTGS-LBPRGKRZSA-N -1 3 307.353 2.756 20 0 DFADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000068466084 398505586 /nfs/dbraw/zinc/50/55/86/398505586.db2.gz QNVOYHNEUKWXJF-NEPJUHHUSA-N -1 3 306.406 2.549 20 0 DFADHM [O-]c1cccc(CNC2(CCO)CCCC2)c1Br ZINC000459536067 299128672 /nfs/dbraw/zinc/12/86/72/299128672.db2.gz APTLPBSYIVRLRO-UHFFFAOYSA-N -1 3 314.223 2.940 20 0 DFADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000592941849 398509910 /nfs/dbraw/zinc/50/99/10/398509910.db2.gz ZYHKXYNVALUDCF-OLZOCXBDSA-N -1 3 305.374 2.632 20 0 DFADHM COc1ccc(CCCNC(=O)c2ccccc2[O-])cc1OC ZINC000065086122 282461613 /nfs/dbraw/zinc/46/16/13/282461613.db2.gz IZPUMPGNOWWCLQ-UHFFFAOYSA-N -1 3 315.369 2.772 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCC2CCCC2)cc1 ZINC000031146601 398512025 /nfs/dbraw/zinc/51/20/25/398512025.db2.gz KPONHNXGHVDIBS-UHFFFAOYSA-N -1 3 324.446 2.758 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cncc(F)c1)c1cc(F)ccc1F ZINC000588905377 398515340 /nfs/dbraw/zinc/51/53/40/398515340.db2.gz WOLDSOYAIKFRRE-QMMMGPOBSA-N -1 3 316.304 2.538 20 0 DFADHM CC(C)(CC[N-]S(=O)(=O)c1cncc(F)c1)c1ccccc1 ZINC000588905436 398515390 /nfs/dbraw/zinc/51/53/90/398515390.db2.gz OOQKCMARVMUSKU-UHFFFAOYSA-N -1 3 322.405 2.867 20 0 DFADHM CCOC(=O)CCN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000592990246 398515469 /nfs/dbraw/zinc/51/54/69/398515469.db2.gz 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310.335 2.548 20 0 DFADHM COc1ccc(C(=O)NCc2cc(-c3ccccc3)no2)c([O-])c1 ZINC000045831343 398686068 /nfs/dbraw/zinc/68/60/68/398686068.db2.gz UQNUFZHHYOZRDJ-UHFFFAOYSA-N -1 3 324.336 2.986 20 0 DFADHM COC(=O)c1ccc(C(=O)N2CC(C)(C)c3ccc(F)cc32)[n-]1 ZINC000593792734 398688722 /nfs/dbraw/zinc/68/87/22/398688722.db2.gz VDEGJJJWNHRBCP-UHFFFAOYSA-N -1 3 316.332 2.878 20 0 DFADHM Cc1nc(C)c(CCC(=O)Nc2nc(C(C)C)cs2)c(=O)[n-]1 ZINC000073003749 191267956 /nfs/dbraw/zinc/26/79/56/191267956.db2.gz VSOVXLLQEJIRGU-UHFFFAOYSA-N -1 3 320.418 2.538 20 0 DFADHM COCc1cc(C(=O)[N-]c2nc3c(s2)CCCCC3)no1 ZINC000173699456 198242084 /nfs/dbraw/zinc/24/20/84/198242084.db2.gz HGXHKMTZPTZWCV-UHFFFAOYSA-N -1 3 307.375 2.799 20 0 DFADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C)sc2C)s1 ZINC000173814595 198256171 /nfs/dbraw/zinc/25/61/71/198256171.db2.gz ZWXWZPTTZRIVNO-UHFFFAOYSA-N -1 3 316.473 2.862 20 0 DFADHM CN(Cc1nc2ccccc2s1)C(=O)c1c([O-])cccc1O ZINC000125586606 282884721 /nfs/dbraw/zinc/88/47/21/282884721.db2.gz 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CCc1ccc([C@H](C)C(=O)Nc2nc[n-]c2C(=O)OC)cc1 ZINC000594020522 398723596 /nfs/dbraw/zinc/72/35/96/398723596.db2.gz ADBRZMVTTVQBHZ-JTQLQIEISA-N -1 3 301.346 2.501 20 0 DFADHM CCC(=O)N[C@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000129545521 283019750 /nfs/dbraw/zinc/01/97/50/283019750.db2.gz IAWDZWOQBMULIV-INIZCTEOSA-N -1 3 316.332 2.737 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2cc(C)c(C)cc2OC)c[n-]1 ZINC000597944353 398725272 /nfs/dbraw/zinc/72/52/72/398725272.db2.gz IVRAYSKSDXMWMK-UHFFFAOYSA-N -1 3 302.330 2.679 20 0 DFADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)CC(C)(C)C ZINC000461240761 299217684 /nfs/dbraw/zinc/21/76/84/299217684.db2.gz OEMAUTSXPIZUKM-UHFFFAOYSA-N -1 3 306.797 2.932 20 0 DFADHM CC(C)[C@H]1C[C@@H]1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461244144 299217729 /nfs/dbraw/zinc/21/77/29/299217729.db2.gz WYTZCLAKRZXQKF-NEPJUHHUSA-N -1 3 318.808 2.788 20 0 DFADHM Cn1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000130207653 283042655 /nfs/dbraw/zinc/04/26/55/283042655.db2.gz RGULXDJFPLUIAG-UHFFFAOYSA-N 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/nfs/dbraw/zinc/75/54/19/398755419.db2.gz GXULERRICBOZOT-UHFFFAOYSA-N -1 3 303.742 2.859 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCCCOCC(F)(F)F)c1 ZINC000132536914 283122563 /nfs/dbraw/zinc/12/25/63/283122563.db2.gz SKYHNUAWLMSPHW-UHFFFAOYSA-N -1 3 305.296 2.653 20 0 DFADHM COc1ccc(CC(=O)NCc2ccc([O-])c(F)c2)cc1F ZINC000132711528 283127772 /nfs/dbraw/zinc/12/77/72/283127772.db2.gz GYIZYDMPDFXUFL-UHFFFAOYSA-N -1 3 307.296 2.538 20 0 DFADHM C[C@H]1CCCCN1C(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000591406181 398756633 /nfs/dbraw/zinc/75/66/33/398756633.db2.gz SGHRMRUSSSSNSF-NSHDSACASA-N -1 3 321.446 2.694 20 0 DFADHM COc1ccc(C[C@@H](C)CNC(=O)c2ccc(O)cc2[O-])cc1 ZINC000133503333 283153032 /nfs/dbraw/zinc/15/30/32/283153032.db2.gz OOZIVWALENAHEH-GFCCVEGCSA-N -1 3 315.369 2.715 20 0 DFADHM COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000080997074 192211194 /nfs/dbraw/zinc/21/11/94/192211194.db2.gz MVTFASDBTBZDDS-LBPRGKRZSA-N -1 3 324.384 2.670 20 0 DFADHM CN1CCc2ccc(C(=O)N3CCCc4cccc([O-])c43)cc21 ZINC000357611246 283171929 /nfs/dbraw/zinc/17/19/29/283171929.db2.gz VVIXKBNMZNUZOL-UHFFFAOYSA-N -1 3 308.381 2.978 20 0 DFADHM CC1(C)CCC(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000133988236 283169465 /nfs/dbraw/zinc/16/94/65/283169465.db2.gz KAKJUOJFSVAIKL-UHFFFAOYSA-N -1 3 313.405 2.699 20 0 DFADHM CC1(C)CCC(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000133988236 283169467 /nfs/dbraw/zinc/16/94/67/283169467.db2.gz KAKJUOJFSVAIKL-UHFFFAOYSA-N -1 3 313.405 2.699 20 0 DFADHM CN(C)CCN(C(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000134124318 283173845 /nfs/dbraw/zinc/17/38/45/283173845.db2.gz NBDABHDLIFMIQL-UHFFFAOYSA-N -1 3 302.349 2.740 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(F)ccc1F ZINC000134285802 283180268 /nfs/dbraw/zinc/18/02/68/283180268.db2.gz MDPQGIYIAJNWSH-UHFFFAOYSA-N -1 3 324.283 2.944 20 0 DFADHM Cc1ccc(NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c([O-])c1 ZINC000048323731 398781053 /nfs/dbraw/zinc/78/10/53/398781053.db2.gz WEZAGBYJWWVIHO-UHFFFAOYSA-N -1 3 313.357 2.517 20 0 DFADHM CCc1cccc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)c1[O-] ZINC000121820929 398790149 /nfs/dbraw/zinc/79/01/49/398790149.db2.gz NJZHCBXEEPGCPQ-OAHLLOKOSA-N -1 3 312.369 2.643 20 0 DFADHM Cc1ccc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)c([O-])c1 ZINC000075180285 398789599 /nfs/dbraw/zinc/78/95/99/398789599.db2.gz SLJQJAZDJPJRKT-UHFFFAOYSA-N -1 3 301.346 2.570 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCSC[C@@H]1C1CCC1 ZINC000416327164 295941964 /nfs/dbraw/zinc/94/19/64/295941964.db2.gz OIIGQHZUCRDHNH-CQSZACIVSA-N -1 3 309.406 2.818 20 0 DFADHM COCCCCN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000416340876 295943399 /nfs/dbraw/zinc/94/33/99/295943399.db2.gz UIEXPWZDPXPMFI-UHFFFAOYSA-N -1 3 307.390 2.604 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-]C(C)(C)c2ccccc2)cn1C ZINC000416394407 295946402 /nfs/dbraw/zinc/94/64/02/295946402.db2.gz UPHDJFYVSKDDGL-UHFFFAOYSA-N -1 3 321.446 2.757 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c(F)c1 ZINC000416501316 295950790 /nfs/dbraw/zinc/95/07/90/295950790.db2.gz KVXHNOMWDKFMPQ-UHFFFAOYSA-N -1 3 307.337 2.848 20 0 DFADHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000416527450 295952555 /nfs/dbraw/zinc/95/25/55/295952555.db2.gz CDDMIYSXOLIMQR-KCJUWKMLSA-N -1 3 324.229 2.839 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(F)cc(Cl)c1 ZINC000416558614 295954516 /nfs/dbraw/zinc/95/45/16/295954516.db2.gz JNTBUCBADABREX-OXHMUOHRSA-N -1 3 303.786 2.946 20 0 DFADHM CC(=O)NC1(C(=O)Nc2cc(Cl)ccc2[O-])CCCCC1 ZINC000179458635 199038893 /nfs/dbraw/zinc/03/88/93/199038893.db2.gz BTMRIVYSKOWASL-UHFFFAOYSA-N -1 3 310.781 2.823 20 0 DFADHM O=S(=O)([N-]C1CCC(C(F)F)CC1)c1cncc(Cl)c1 ZINC000416566476 295955341 /nfs/dbraw/zinc/95/53/41/295955341.db2.gz VBAILRFKIHJIOD-UHFFFAOYSA-N -1 3 324.780 2.837 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000179562707 199054574 /nfs/dbraw/zinc/05/45/74/199054574.db2.gz GPGZOWHTSNNKDX-ZDUSSCGKSA-N -1 3 318.417 2.924 20 0 DFADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)[C@H](C)O1 ZINC000416610125 295958298 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CC(F)(F)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000188558161 200265538 /nfs/dbraw/zinc/26/55/38/200265538.db2.gz FUEYSMZYRZHMJD-LBPRGKRZSA-N -1 3 305.346 2.719 20 0 DFADHM C[C@@H](OCCC[N-]S(=O)(=O)c1ccco1)c1ccccc1 ZINC000188574724 200268695 /nfs/dbraw/zinc/26/86/95/200268695.db2.gz CIZXBJTZSCHFMW-CYBMUJFWSA-N -1 3 309.387 2.726 20 0 DFADHM O=C(NCCc1cnn(-c2ccccc2)c1)c1ccccc1[O-] ZINC000055233819 398924514 /nfs/dbraw/zinc/92/45/14/398924514.db2.gz YFYYRJIWQKCZDT-UHFFFAOYSA-N -1 3 307.353 2.550 20 0 DFADHM CSc1ccc(CNC(=O)NCc2ncccc2[O-])cc1 ZINC000471739236 299301433 /nfs/dbraw/zinc/30/14/33/299301433.db2.gz UCYZKBHEAYTBQS-UHFFFAOYSA-N -1 3 303.387 2.509 20 0 DFADHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccco2)cc1 ZINC000188639984 200279315 /nfs/dbraw/zinc/27/93/15/200279315.db2.gz YHPHJFBRJLNEIF-GFCCVEGCSA-N -1 3 309.387 2.588 20 0 DFADHM COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1ccco1 ZINC000188834126 200309907 /nfs/dbraw/zinc/30/99/07/200309907.db2.gz BYFIGXOHKCDWFM-ZDUSSCGKSA-N -1 3 321.398 2.687 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)c([O-])c1 ZINC000055432042 398930593 /nfs/dbraw/zinc/93/05/93/398930593.db2.gz MJQYQWYBOPITKV-AWEZNQCLSA-N -1 3 304.390 2.676 20 0 DFADHM CCC(CC)[C@@H](O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000189371963 200389238 /nfs/dbraw/zinc/38/92/38/200389238.db2.gz ZFRXXHJQZISLOH-ZDUSSCGKSA-N -1 3 319.323 2.938 20 0 DFADHM O=C(N[C@H]1CC[C@H](CO)CC1)c1cc([O-])ccc1C(F)(F)F ZINC000189306977 200379290 /nfs/dbraw/zinc/37/92/90/200379290.db2.gz KWEHKHVFNUIAPI-AOOOYVTPSA-N -1 3 317.307 2.692 20 0 DFADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(COCC2CC2)c1 ZINC000189532508 200417685 /nfs/dbraw/zinc/41/76/85/200417685.db2.gz LGRXWMHKCFMGEQ-HNNXBMFYSA-N -1 3 320.389 2.703 20 0 DFADHM O=C([N-]CC1CCN(Cc2cccc(F)c2)CC1)C(F)(F)F ZINC000281204012 216152082 /nfs/dbraw/zinc/15/20/82/216152082.db2.gz JHIAESDGWUSQGY-UHFFFAOYSA-N -1 3 318.314 2.716 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCC(C)=C(Br)C2)n1 ZINC000281197423 216147125 /nfs/dbraw/zinc/14/71/25/216147125.db2.gz RTNDKZSBHVVQKP-UHFFFAOYSA-N -1 3 312.211 2.619 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2CCc3cc(F)ccc32)c([O-])c1 ZINC000055655733 398937719 /nfs/dbraw/zinc/93/77/19/398937719.db2.gz YUYMQHQEXYZDJG-OAHLLOKOSA-N -1 3 301.317 2.957 20 0 DFADHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000471855185 299310683 /nfs/dbraw/zinc/31/06/83/299310683.db2.gz FDBJQVANRINNCZ-NSHDSACASA-N -1 3 306.387 2.663 20 0 DFADHM Cc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1[O-] ZINC000078231762 398943733 /nfs/dbraw/zinc/94/37/33/398943733.db2.gz RCDSOIXXHDFOID-UHFFFAOYSA-N -1 3 324.424 2.701 20 0 DFADHM Cc1ccccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000078308316 398947681 /nfs/dbraw/zinc/94/76/81/398947681.db2.gz BBCQWOPQCZDDPT-UHFFFAOYSA-N -1 3 310.397 2.659 20 0 DFADHM COC(=O)[C@H]1CC12CCN(Cc1cc([O-])ccc1Cl)CC2 ZINC000599293944 398949025 /nfs/dbraw/zinc/94/90/25/398949025.db2.gz CJYNQOHUBYYEOM-CYBMUJFWSA-N -1 3 309.793 2.821 20 0 DFADHM COC(=O)C[C@H]1CSCCN1Cc1cc([O-])ccc1Cl ZINC000599309495 398952680 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193233127 /nfs/dbraw/zinc/23/31/27/193233127.db2.gz BRAQGSHKZRVFAP-INIZCTEOSA-N -1 3 311.429 2.802 20 0 DFADHM CCC[C@H](C)NC(=O)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419606023 296146145 /nfs/dbraw/zinc/14/61/45/296146145.db2.gz RKGWFFJKIQOESY-QWRGUYRKSA-N -1 3 323.462 2.986 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Cc3ccco3)[n-]2)o1 ZINC000621917258 399123896 /nfs/dbraw/zinc/12/38/96/399123896.db2.gz QKSZPYQDBOYIKJ-VIFPVBQESA-N -1 3 300.318 2.783 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)Cc3ccco3)n2)o1 ZINC000621917258 399123900 /nfs/dbraw/zinc/12/39/00/399123900.db2.gz QKSZPYQDBOYIKJ-VIFPVBQESA-N -1 3 300.318 2.783 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Cc3ccco3)n[n-]2)o1 ZINC000621917258 399123905 /nfs/dbraw/zinc/12/39/05/399123905.db2.gz QKSZPYQDBOYIKJ-VIFPVBQESA-N -1 3 300.318 2.783 20 0 DFADHM CCOC(=O)CCCCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000595884676 399122682 /nfs/dbraw/zinc/12/26/82/399122682.db2.gz JZLXQDVEWIJUAE-INIZCTEOSA-N -1 3 319.401 2.794 20 0 DFADHM 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284232277 /nfs/dbraw/zinc/23/22/77/284232277.db2.gz IJPOJBRICTVMDR-GFCCVEGCSA-N -1 3 311.385 2.835 20 0 DFADHM COc1ccccc1CN(C(=O)c1ccc2n[n-]nc2c1)C1CC1 ZINC000080388795 399142871 /nfs/dbraw/zinc/14/28/71/399142871.db2.gz DTUJIBSWLBRPJA-UHFFFAOYSA-N -1 3 322.368 2.771 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000341147252 284242676 /nfs/dbraw/zinc/24/26/76/284242676.db2.gz YVRKBXPCTBERFY-AEFFLSMTSA-N -1 3 301.386 2.738 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000341147253 284242705 /nfs/dbraw/zinc/24/27/05/284242705.db2.gz YVRKBXPCTBERFY-FUHWJXTLSA-N -1 3 301.386 2.738 20 0 DFADHM CN(Cc1nc(-c2ccc([O-])cc2)no1)C(=O)OC(C)(C)C ZINC000264582507 204009221 /nfs/dbraw/zinc/00/92/21/204009221.db2.gz CNKNLZIAFSPTIG-UHFFFAOYSA-N -1 3 305.334 2.809 20 0 DFADHM CCc1ccccc1[C@@H](N)CN=c1nc(C(C)(C)C)[n-]s1 ZINC000420264570 296167294 /nfs/dbraw/zinc/16/72/94/296167294.db2.gz BBGGXFYDBFLCGK-ZDUSSCGKSA-N -1 3 304.463 2.932 20 0 DFADHM 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319.246 2.536 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(F)c(F)c1 ZINC000104368052 284294053 /nfs/dbraw/zinc/29/40/53/284294053.db2.gz WVCUSGXDSMUOHZ-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)c(F)c1 ZINC000271728332 209161350 /nfs/dbraw/zinc/16/13/50/209161350.db2.gz UTGKDTGWDYVSFR-GXTWGEPZSA-N -1 3 315.410 2.616 20 0 DFADHM O=C(Nc1nncn1C1CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622033089 399172434 /nfs/dbraw/zinc/17/24/34/399172434.db2.gz GHDZGTLIBTVDQT-UHFFFAOYSA-N -1 3 312.251 2.590 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@H]3CCC[C@H](C)O3)ccc2[n-]1 ZINC000618590698 399174130 /nfs/dbraw/zinc/17/41/30/399174130.db2.gz QPMYNQKUPURPME-WCQYABFASA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@H]3CCC[C@H](C)O3)cc2[n-]1 ZINC000618590698 399174133 /nfs/dbraw/zinc/17/41/33/399174133.db2.gz QPMYNQKUPURPME-WCQYABFASA-N -1 3 317.389 2.649 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(CCC(C)(C)C)CC2)n1 ZINC000192550937 399174388 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OAEQAQYKAQKVJE-HNNXBMFYSA-N -1 3 313.419 2.560 20 0 DFADHM O=S(=O)(CCC(F)(F)F)Cc1cc([O-])ccc1Cl ZINC000629320494 399570053 /nfs/dbraw/zinc/57/00/53/399570053.db2.gz DDZDCVQSYYDHQF-UHFFFAOYSA-N -1 3 302.701 2.913 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]CC[C@@H]1CC=CCC1 ZINC000625496994 399571397 /nfs/dbraw/zinc/57/13/97/399571397.db2.gz MNUVTNFHSGPVAG-LLVKDONJSA-N -1 3 301.433 2.781 20 0 DFADHM COCCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000347762297 285163357 /nfs/dbraw/zinc/16/33/57/285163357.db2.gz BISZUFOTWMUYOM-UHFFFAOYSA-N -1 3 317.794 2.709 20 0 DFADHM O=C([O-])c1cnc(C2CCN(C[C@H]3CCCCO3)CC2)s1 ZINC000629367900 399580581 /nfs/dbraw/zinc/58/05/81/399580581.db2.gz SEAYVQDRHVNQAD-GFCCVEGCSA-N -1 3 310.419 2.590 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@]2(CC(C)C)CCNC2=O)c1[O-] ZINC000632147215 399582935 /nfs/dbraw/zinc/58/29/35/399582935.db2.gz HHRCCYJVLOOWRW-MRXNPFEDSA-N -1 3 324.808 2.845 20 0 DFADHM O=C(CCC1(O)CCC1)Nc1cc(Br)ccc1[O-] ZINC000632139557 399580753 /nfs/dbraw/zinc/58/07/53/399580753.db2.gz SMXPUDGLGJFNHV-UHFFFAOYSA-N -1 3 314.179 2.788 20 0 DFADHM CCOC(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000632138560 399581010 /nfs/dbraw/zinc/58/10/10/399581010.db2.gz CVODELNFGDMXFE-UHFFFAOYSA-N -1 3 302.168 2.908 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CC(=O)C2CCCC2)sc1Cl ZINC000625545706 399583354 /nfs/dbraw/zinc/58/33/54/399583354.db2.gz GBRMOIFRJNMOLP-UHFFFAOYSA-N -1 3 321.851 2.748 20 0 DFADHM Cc1ccccc1CS(=O)(=O)[N-]CC(=O)C1(C)CCCC1 ZINC000625547653 399584615 /nfs/dbraw/zinc/58/46/15/399584615.db2.gz VKUKNWXZIRQTQY-UHFFFAOYSA-N -1 3 309.431 2.564 20 0 DFADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cc(=O)[n-]cn1 ZINC000625558829 399586394 /nfs/dbraw/zinc/58/63/94/399586394.db2.gz YQHUWFXNMXAQEN-UHFFFAOYSA-N -1 3 305.765 2.886 20 0 DFADHM Cc1cccc2[nH]cc(CCNC(=O)/C=C\c3cncc([O-])c3)c21 ZINC000492393773 299580601 /nfs/dbraw/zinc/58/06/01/299580601.db2.gz FCFCMNZHVWNGQG-WAYWQWQTSA-N -1 3 321.380 2.949 20 0 DFADHM O=C(NC[C@@H]1CCN1Cc1ccccc1)c1ccc([O-])cc1F ZINC000620770856 399590804 /nfs/dbraw/zinc/59/08/04/399590804.db2.gz CCANDUTWHYWOOY-AWEZNQCLSA-N -1 3 314.360 2.536 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccc(Br)nc1 ZINC000492400126 299581470 /nfs/dbraw/zinc/58/14/70/299581470.db2.gz QJULYASGTXSNAR-RJRFIUFISA-N -1 3 320.146 2.597 20 0 DFADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000156891921 197148171 /nfs/dbraw/zinc/14/81/71/197148171.db2.gz SJDTTXRDGRNSRH-ZETCQYMHSA-N -1 3 316.258 2.780 20 0 DFADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000156891921 197148173 /nfs/dbraw/zinc/14/81/73/197148173.db2.gz SJDTTXRDGRNSRH-ZETCQYMHSA-N -1 3 316.258 2.780 20 0 DFADHM C[C@H](Cc1ccccc1F)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000156892086 197148203 /nfs/dbraw/zinc/14/82/03/197148203.db2.gz SJDTTXRDGRNSRH-SSDOTTSWSA-N -1 3 316.258 2.780 20 0 DFADHM C[C@H](Cc1ccccc1F)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000156892086 197148207 /nfs/dbraw/zinc/14/82/07/197148207.db2.gz SJDTTXRDGRNSRH-SSDOTTSWSA-N -1 3 316.258 2.780 20 0 DFADHM Cc1ccc(CC(=O)[N-]OCc2ccc3c(c2)OCCO3)cc1 ZINC000156848511 197144363 /nfs/dbraw/zinc/14/43/63/197144363.db2.gz BTFSYYPRLHDRDK-UHFFFAOYSA-N -1 3 313.353 2.557 20 0 DFADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCO1 ZINC000156281238 197101047 /nfs/dbraw/zinc/10/10/47/197101047.db2.gz MFQDFHDBSDJADB-JTQLQIEISA-N -1 3 321.801 2.715 20 0 DFADHM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000156214385 197095702 /nfs/dbraw/zinc/09/57/02/197095702.db2.gz CQIHZKLWVTUZQM-KPZWWZAWSA-N -1 3 317.360 2.702 20 0 DFADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000620793987 399599484 /nfs/dbraw/zinc/59/94/84/399599484.db2.gz VUKHHHFVALPEOO-CABZTGNLSA-N -1 3 303.280 2.574 20 0 DFADHM COc1cccc(OCC(=O)N2CCCc3cccc([O-])c32)c1 ZINC000155573584 197068513 /nfs/dbraw/zinc/06/85/13/197068513.db2.gz SDPRMHAWKKPVFA-UHFFFAOYSA-N -1 3 313.353 2.759 20 0 DFADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc3cccc(C)c3s2)C1 ZINC000625644905 399602569 /nfs/dbraw/zinc/60/25/69/399602569.db2.gz RXMRYCTZKNGQJX-HAQNSBGRSA-N -1 3 311.428 2.665 20 0 DFADHM O=c1nc([C@@H]2CCCN([C@@H]3CCc4c3cccc4Cl)C2)[nH][n-]1 ZINC000289433492 285226596 /nfs/dbraw/zinc/22/65/96/285226596.db2.gz NXAOVVRGWRIJRS-QMTHXVAHSA-N -1 3 318.808 2.618 20 0 DFADHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(F)cc(F)c2)o1 ZINC000010513759 542419004 /nfs/dbraw/zinc/41/90/04/542419004.db2.gz GFHBNRRIPDCCKT-VIFPVBQESA-N -1 3 301.314 2.906 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCCO1)c1c(Cl)cccc1Cl ZINC000049240264 542441670 /nfs/dbraw/zinc/44/16/70/542441670.db2.gz IZBJQSLXDZDFNB-SECBINFHSA-N -1 3 324.229 2.841 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)c(F)c1 ZINC000625670606 399610566 /nfs/dbraw/zinc/61/05/66/399610566.db2.gz UTQIITWQTQOLGV-LLVKDONJSA-N -1 3 313.394 2.693 20 0 DFADHM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c[nH]c(=O)s2)CC1 ZINC000632225874 399610837 /nfs/dbraw/zinc/61/08/37/399610837.db2.gz BNYGLWYILRFKAH-WDEREUQCSA-N -1 3 318.464 2.732 20 0 DFADHM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492445566 299590146 /nfs/dbraw/zinc/59/01/46/299590146.db2.gz SEJMWGKKKPKPAP-UJZCVKTISA-N -1 3 312.369 2.596 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]3COCC[C@H]32)c1 ZINC000612265703 399611805 /nfs/dbraw/zinc/61/18/05/399611805.db2.gz CCTOSIUYDFMYOG-SMDDNHRTSA-N -1 3 307.415 2.755 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CC[C@H](COc2ccccc2)C1 ZINC000492450538 299590947 /nfs/dbraw/zinc/59/09/47/299590947.db2.gz RFYAXEZGPXMVKC-WLMCBFPDSA-N -1 3 324.380 2.728 20 0 DFADHM O=S(=O)([N-]C1(c2c(F)cccc2F)CCC1)c1ccccn1 ZINC000625691377 399614365 /nfs/dbraw/zinc/61/43/65/399614365.db2.gz IJGQBCCWOLAIIG-UHFFFAOYSA-N -1 3 324.352 2.718 20 0 DFADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)c(C)c2)nc1C ZINC000347943594 285261349 /nfs/dbraw/zinc/26/13/49/285261349.db2.gz KRWUDZIZQAGRJT-ZDUSSCGKSA-N -1 3 321.446 2.868 20 0 DFADHM CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000120444346 195167570 /nfs/dbraw/zinc/16/75/70/195167570.db2.gz MWUVQFGHZNJFIH-INIZCTEOSA-N -1 3 312.369 2.785 20 0 DFADHM C[C@H](CCc1ccc(O)cc1)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492471162 299595249 /nfs/dbraw/zinc/59/52/49/299595249.db2.gz HRPOMJNOWHFZGK-OYVUYXNMSA-N -1 3 312.369 2.644 20 0 DFADHM C[C@@H](CCc1ccc(O)cc1)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492471163 299595304 /nfs/dbraw/zinc/59/53/04/299595304.db2.gz HRPOMJNOWHFZGK-XURPKSDJSA-N -1 3 312.369 2.644 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N[C@@H]1CCOc2c(F)cccc21 ZINC000492477985 299597314 /nfs/dbraw/zinc/59/73/14/299597314.db2.gz WPEQHEHMEBPVQJ-FOSCPCJNSA-N -1 3 314.316 2.580 20 0 DFADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1ccc(F)c(F)c1 ZINC000075297329 542471749 /nfs/dbraw/zinc/47/17/49/542471749.db2.gz KTVZVYVDPFXACT-JTQLQIEISA-N -1 3 311.313 2.920 20 0 DFADHM O=c1nc(CN[C@H](CCCc2ccccc2)c2ccccc2)[nH][n-]1 ZINC000271574435 209025708 /nfs/dbraw/zinc/02/57/08/209025708.db2.gz AQVGWMVKJDCWLN-QGZVFWFLSA-N -1 3 322.412 2.952 20 0 DFADHM C[C@@H]1CN(CC(=O)NCCCC2CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000629495036 399621523 /nfs/dbraw/zinc/62/15/23/399621523.db2.gz GUXKOTMTTURJOC-ZBFHGGJFSA-N -1 3 324.465 2.506 20 0 DFADHM C[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289499868 221022471 /nfs/dbraw/zinc/02/24/71/221022471.db2.gz UAVLRDJUDKYAOM-CMPLNLGQSA-N -1 3 306.797 2.692 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCN3c4ccccc4C[C@@H]3C2)n1 ZINC000289507074 221026757 /nfs/dbraw/zinc/02/67/57/221026757.db2.gz QRGXYSZJLUQCMA-GOEBONIOSA-N -1 3 324.428 2.689 20 0 DFADHM CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H](C)N1 ZINC000620899966 399625415 /nfs/dbraw/zinc/62/54/15/399625415.db2.gz WXPZLQXCVLHVKW-GXSJLCMTSA-N -1 3 316.323 2.624 20 0 DFADHM O=C(Cc1cncc([O-])c1)Nc1ccc(F)cc1NC1CC1 ZINC000612334544 399626567 /nfs/dbraw/zinc/62/65/67/399626567.db2.gz ZQEULPSGTSLBGQ-UHFFFAOYSA-N -1 3 301.321 2.682 20 0 DFADHM Cc1cc(=O)cc(C)n1CCCC(=O)Nc1ccccc1[O-] ZINC000289573344 221078143 /nfs/dbraw/zinc/07/81/43/221078143.db2.gz QQILHDWGPXXCDR-UHFFFAOYSA-N -1 3 300.358 2.590 20 0 DFADHM CC[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C[C@H](C)N1 ZINC000620899366 399626047 /nfs/dbraw/zinc/62/60/47/399626047.db2.gz FEVROSSIMBPIAP-DTWKUNHWSA-N -1 3 317.216 2.912 20 0 DFADHM CCCNC(=O)c1ccc(NC([O-])=NOC/C=C/Cl)cc1 ZINC000289730811 221184693 /nfs/dbraw/zinc/18/46/93/221184693.db2.gz GERJXEXAQSPGTI-FPYGCLRLSA-N -1 3 311.769 2.632 20 0 DFADHM CCCNC(=O)c1ccc(NC(=O)[N-]OC/C=C/Cl)cc1 ZINC000289730811 221184696 /nfs/dbraw/zinc/18/46/96/221184696.db2.gz GERJXEXAQSPGTI-FPYGCLRLSA-N -1 3 311.769 2.632 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)c[nH]1 ZINC000080751425 542492802 /nfs/dbraw/zinc/49/28/02/542492802.db2.gz NMOXQACBLZTTDK-CYBMUJFWSA-N -1 3 323.393 2.638 20 0 DFADHM O=C(c1cc([O-])ccc1F)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000294899196 224295190 /nfs/dbraw/zinc/29/51/90/224295190.db2.gz JHNFTNHNFRUPEO-IUODEOHRSA-N -1 3 305.349 2.895 20 0 DFADHM COCCOc1ccc(NC([O-])=NOC/C=C/Cl)cc1F ZINC000289814607 221244165 /nfs/dbraw/zinc/24/41/65/221244165.db2.gz NGUBXPLRJZSXPX-GORDUTHDSA-N -1 3 318.732 2.657 20 0 DFADHM COCCOc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1F ZINC000289814607 221244167 /nfs/dbraw/zinc/24/41/67/221244167.db2.gz NGUBXPLRJZSXPX-GORDUTHDSA-N -1 3 318.732 2.657 20 0 DFADHM C[C@H](COCC(F)(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000289886484 221292291 /nfs/dbraw/zinc/29/22/91/221292291.db2.gz SIPBFXGNNZBGHT-SSDOTTSWSA-N -1 3 311.687 2.743 20 0 DFADHM [O-]c1cc(F)cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289897860 221301156 /nfs/dbraw/zinc/30/11/56/221301156.db2.gz WQYSVVHTYQDUDU-GWCFXTLKSA-N -1 3 307.287 2.524 20 0 DFADHM O=C(Nc1cccc(N2CCCCCC2)c1)c1cc(=O)[n-]cn1 ZINC000625770204 399636669 /nfs/dbraw/zinc/63/66/69/399636669.db2.gz HYQMDJMSJHVJAK-UHFFFAOYSA-N -1 3 312.373 2.815 20 0 DFADHM CC[C@@H](CNCc1ccc(OC)c([O-])c1Br)OC ZINC000289984243 221359490 /nfs/dbraw/zinc/35/94/90/221359490.db2.gz ZYXAPJRKSIVTMP-JTQLQIEISA-N -1 3 318.211 2.678 20 0 DFADHM Cc1ccccc1CC1CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000085477462 542516950 /nfs/dbraw/zinc/51/69/50/542516950.db2.gz ABYVFPVNJPNMMF-UHFFFAOYSA-N -1 3 306.369 2.581 20 0 DFADHM 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ZINC000352288685 286337010 /nfs/dbraw/zinc/33/70/10/286337010.db2.gz CQYAOFOXLPAGGP-UHFFFAOYSA-N -1 3 322.246 2.706 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H]2CCOc3ccc(F)cc32)c1 ZINC000171806393 286337865 /nfs/dbraw/zinc/33/78/65/286337865.db2.gz MOEOFTVSDMGHKZ-AWEZNQCLSA-N -1 3 317.316 2.794 20 0 DFADHM Cc1ccc(F)cc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000352345152 286349200 /nfs/dbraw/zinc/34/92/00/286349200.db2.gz JQQQNLGWPAFVPK-UHFFFAOYSA-N -1 3 311.300 2.755 20 0 DFADHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000352338621 286347313 /nfs/dbraw/zinc/34/73/13/286347313.db2.gz UERFCXZASPQQBR-IONNQARKSA-N -1 3 309.815 2.509 20 0 DFADHM CCC[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCOC1 ZINC000352329462 286344958 /nfs/dbraw/zinc/34/49/58/286344958.db2.gz KRJLTLQIOPQZCY-ZDUSSCGKSA-N -1 3 321.801 2.717 20 0 DFADHM O=C([N-]c1cc2c(cc1F)CCC(=O)N2)c1ncc(F)cc1F ZINC000428221577 296685410 /nfs/dbraw/zinc/68/54/10/296685410.db2.gz UJQZOMLYXOUDGU-UHFFFAOYSA-N -1 3 321.258 2.636 20 0 DFADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(-n2ccnc2)ccn1 ZINC000352403987 286364778 /nfs/dbraw/zinc/36/47/78/286364778.db2.gz ACPSNZXVUDSYDQ-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM Cc1oc(C(C)C)nc1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000352435133 286372978 /nfs/dbraw/zinc/37/29/78/286372978.db2.gz IKNDYBSENVQDEA-UHFFFAOYSA-N -1 3 301.306 2.737 20 0 DFADHM Cc1oc(C(C)C)nc1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000352435133 286372980 /nfs/dbraw/zinc/37/29/80/286372980.db2.gz IKNDYBSENVQDEA-UHFFFAOYSA-N -1 3 301.306 2.737 20 0 DFADHM O=C(NCc1ncccc1[O-])C1(c2ccc(Cl)cc2)CC1 ZINC000352510833 286393163 /nfs/dbraw/zinc/39/31/63/286393163.db2.gz UWQQODWKFSEQGS-UHFFFAOYSA-N -1 3 302.761 2.789 20 0 DFADHM Cc1cc(Br)ccc1C(=O)NCc1ncccc1[O-] ZINC000352511771 286393822 /nfs/dbraw/zinc/39/38/22/286393822.db2.gz ZFEKXKSAZJZTIG-UHFFFAOYSA-N -1 3 321.174 2.788 20 0 DFADHM O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ncccc1[O-] ZINC000352518852 286396019 /nfs/dbraw/zinc/39/60/19/286396019.db2.gz ZYHSQBJXTFWFJZ-UHFFFAOYSA-N -1 3 324.380 2.555 20 0 DFADHM C[C@@H](Cc1cccs1)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000352506479 286391872 /nfs/dbraw/zinc/39/18/72/286391872.db2.gz LNMPSGKOKZJMDG-NSHDSACASA-N -1 3 312.398 2.894 20 0 DFADHM O=C(Cn1ccc2ccc(Cl)cc21)NCc1ncccc1[O-] ZINC000352507391 286392177 /nfs/dbraw/zinc/39/21/77/286392177.db2.gz KCNZZAAZUDUMEW-UHFFFAOYSA-N -1 3 315.760 2.712 20 0 DFADHM CCn1ncc(C(=O)NCc2ncccc2[O-])c1-c1ccccc1 ZINC000352508823 286392707 /nfs/dbraw/zinc/39/27/07/286392707.db2.gz NIUAXRPSAPNIAP-UHFFFAOYSA-N -1 3 322.368 2.601 20 0 DFADHM CC(C)(CN1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000452093036 297924164 /nfs/dbraw/zinc/92/41/64/297924164.db2.gz XNKUQOGZZHHDBW-UHFFFAOYSA-N -1 3 322.883 2.554 20 0 DFADHM [O-]c1ccc(F)c(CNCCOc2ncccc2Cl)c1F ZINC000352661316 286433775 /nfs/dbraw/zinc/43/37/75/286433775.db2.gz SDUHFISRUCRKHW-UHFFFAOYSA-N -1 3 314.719 2.887 20 0 DFADHM [O-]c1ccc(F)c(CNCCc2cn3ccccc3n2)c1F ZINC000352756854 286459134 /nfs/dbraw/zinc/45/91/34/286459134.db2.gz RKJHNDIUUNVWEK-UHFFFAOYSA-N -1 3 303.312 2.650 20 0 DFADHM CCOCc1ccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1 ZINC000439572637 297132281 /nfs/dbraw/zinc/13/22/81/297132281.db2.gz RBIHVILFPKMDLL-LBPRGKRZSA-N -1 3 303.362 2.959 20 0 DFADHM O=C(/C=C/c1ccc(-n2ccnc2)cc1)[N-]OC/C=C\Cl ZINC000493421890 299777121 /nfs/dbraw/zinc/77/71/21/299777121.db2.gz PRYHLUSPNXIACG-ORJZIBIWSA-N -1 3 303.749 2.686 20 0 DFADHM COCCNC(=O)c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000353039565 286536529 /nfs/dbraw/zinc/53/65/29/286536529.db2.gz QHPHVNDXZHCGPQ-UHFFFAOYSA-N -1 3 318.348 2.520 20 0 DFADHM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccncc1[O-] ZINC000353440092 286645435 /nfs/dbraw/zinc/64/54/35/286645435.db2.gz YRENHPMKRLDWKF-GFCCVEGCSA-N -1 3 307.353 2.575 20 0 DFADHM COC(=O)[C@H](C)[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000182549741 158004071 /nfs/dbraw/zinc/00/40/71/158004071.db2.gz WXWZVXXDKSUXEV-WBMJQRKESA-N -1 3 313.353 2.672 20 0 DFADHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cccc([O-])c1 ZINC000182548120 158005083 /nfs/dbraw/zinc/00/50/83/158005083.db2.gz HMXFNKPOCDPJFL-AMXDTQDGSA-N -1 3 317.410 2.963 20 0 DFADHM O=C([N-]c1nncs1)c1csc(Cc2cccc(F)c2)n1 ZINC000182719275 158007079 /nfs/dbraw/zinc/00/70/79/158007079.db2.gz NBPVIBJTHIPECV-UHFFFAOYSA-N -1 3 320.374 2.977 20 0 DFADHM O=C(Nc1c[nH]cc(Br)c1=O)c1cccc([O-])c1 ZINC000182946141 158010567 /nfs/dbraw/zinc/01/05/67/158010567.db2.gz JFMICVGMBSWKIC-UHFFFAOYSA-N -1 3 309.119 2.508 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000183056406 158012504 /nfs/dbraw/zinc/01/25/04/158012504.db2.gz JJINLGDPZFWJIP-GFCCVEGCSA-N -1 3 301.342 2.599 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000183256093 158014115 /nfs/dbraw/zinc/01/41/15/158014115.db2.gz XBZFMGIZCCVENN-LLVKDONJSA-N -1 3 318.279 2.735 20 0 DFADHM CCOc1ccccc1OCC(=O)Nc1ccc([O-])cc1F ZINC000183279065 158015188 /nfs/dbraw/zinc/01/51/88/158015188.db2.gz PPPGLZLIJMZNKJ-UHFFFAOYSA-N -1 3 305.305 2.948 20 0 DFADHM O=[S@@](Cc1noc(-c2ccsc2)n1)c1cccc([O-])c1 ZINC000184047724 158027217 /nfs/dbraw/zinc/02/72/17/158027217.db2.gz VOQMZINWWYNOHC-FQEVSTJZSA-N -1 3 306.368 2.812 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)CCc1cccn1C ZINC000184940494 158039980 /nfs/dbraw/zinc/03/99/80/158039980.db2.gz OWLKAQRHFONZJO-ZDUSSCGKSA-N -1 3 324.421 2.772 20 0 DFADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000185095984 158044854 /nfs/dbraw/zinc/04/48/54/158044854.db2.gz OPXOGIGUACGIMC-GFCCVEGCSA-N -1 3 313.353 2.996 20 0 DFADHM O=S(=O)([N-]CC[C@H]1CCOC1)c1ccc(Cl)cc1Cl ZINC000429896654 296762505 /nfs/dbraw/zinc/76/25/05/296762505.db2.gz QYGGVIXDDKVVFO-VIFPVBQESA-N -1 3 324.229 2.698 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(-n2cccc2)cc1 ZINC000247478917 158139339 /nfs/dbraw/zinc/13/93/39/158139339.db2.gz IGFDMLVUBBGQFG-UHFFFAOYSA-N -1 3 321.262 2.867 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(-n2cccc2)cc1 ZINC000247478917 158139341 /nfs/dbraw/zinc/13/93/41/158139341.db2.gz IGFDMLVUBBGQFG-UHFFFAOYSA-N -1 3 321.262 2.867 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@](C)(c3ccccc3)C2)n1 ZINC000248723460 158198213 /nfs/dbraw/zinc/19/82/13/158198213.db2.gz HIBQCWZVIACAIU-KSSFIOAISA-N -1 3 313.401 2.799 20 0 DFADHM Cc1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1[O-] ZINC000353902657 158232389 /nfs/dbraw/zinc/23/23/89/158232389.db2.gz NQUFCWLFFXKUEE-UHFFFAOYSA-N -1 3 310.353 2.845 20 0 DFADHM C[C@](CO)(CNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000354584037 158233649 /nfs/dbraw/zinc/23/36/49/158233649.db2.gz XXCXAHMZKVZAIM-QGZVFWFLSA-N -1 3 319.788 2.726 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2cccc3c2oc(=O)n3C)c1 ZINC000354900025 158242959 /nfs/dbraw/zinc/24/29/59/158242959.db2.gz VVOLMHKFSNTTFN-UHFFFAOYSA-N -1 3 312.325 2.652 20 0 DFADHM CC[C@@H](CC(F)(F)F)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000355181819 158292346 /nfs/dbraw/zinc/29/23/46/158292346.db2.gz PUZUCPIQVRTERQ-VIFPVBQESA-N -1 3 312.291 2.989 20 0 DFADHM Cc1ccccc1C(C)(C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000357043938 158356175 /nfs/dbraw/zinc/35/61/75/158356175.db2.gz TUXVNJSMZNVSBD-UHFFFAOYSA-N -1 3 313.401 2.701 20 0 DFADHM Cc1cccc(COc2cccc(NC(=O)c3nc[n-]n3)c2)c1 ZINC000358507420 158382968 /nfs/dbraw/zinc/38/29/68/158382968.db2.gz LMOUTHKAJXLDFH-UHFFFAOYSA-N -1 3 308.341 2.944 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2cccc(Br)c2)[n-]1 ZINC000431257770 296825849 /nfs/dbraw/zinc/82/58/49/296825849.db2.gz DSUBGJDSTBJROF-UHFFFAOYSA-N -1 3 323.146 2.816 20 0 DFADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)C(C)(C)C)c(=O)[n-]1 ZINC000431372814 296830739 /nfs/dbraw/zinc/83/07/39/296830739.db2.gz XUMMXXZSZIMVTG-UHFFFAOYSA-N -1 3 307.438 2.920 20 0 DFADHM CC(C)(C)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000432775495 296886854 /nfs/dbraw/zinc/88/68/54/296886854.db2.gz UYESKOGINZZWQW-UHFFFAOYSA-N -1 3 300.196 2.860 20 0 DFADHM CCCC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129461565 196050380 /nfs/dbraw/zinc/05/03/80/196050380.db2.gz KRYTVCBMCUTOHI-LBPRGKRZSA-N -1 3 310.781 2.775 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)c([O-])c1 ZINC000129601534 196060931 /nfs/dbraw/zinc/06/09/31/196060931.db2.gz JXUIXDAGSYGSPK-RYUDHWBXSA-N -1 3 315.325 2.904 20 0 DFADHM CCn1cc(C2CCN(C(=O)c3cc(C)ccc3[O-])CC2)cn1 ZINC000131877494 196206555 /nfs/dbraw/zinc/20/65/55/196206555.db2.gz BJPQPCDRMQYVJD-UHFFFAOYSA-N -1 3 313.401 2.937 20 0 DFADHM CC[C@H]1COCCN1Cc1cc([O-])ccc1Br ZINC000132347601 196248267 /nfs/dbraw/zinc/24/82/67/196248267.db2.gz TXXJALSANJEQBE-NSHDSACASA-N -1 3 300.196 2.766 20 0 DFADHM CC[C@@H](C)c1cc(C(=O)[N-]c2ccccc2S(C)(=O)=O)on1 ZINC000132425631 196254827 /nfs/dbraw/zinc/25/48/27/196254827.db2.gz HRQBKBLOMFBTBZ-SNVBAGLBSA-N -1 3 322.386 2.844 20 0 DFADHM CCN(C)[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000132750373 196280736 /nfs/dbraw/zinc/28/07/36/196280736.db2.gz IAELOELGNMHXQW-QGZVFWFLSA-N -1 3 316.376 2.841 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCOc2ccccc21 ZINC000132880277 196292976 /nfs/dbraw/zinc/29/29/76/196292976.db2.gz YOOHLQPTADUYJK-ZDUSSCGKSA-N -1 3 301.317 2.714 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CCC[C@@H]3C)c[n-]c12 ZINC000133127989 196314248 /nfs/dbraw/zinc/31/42/48/196314248.db2.gz WYCYUFIUBLGQNR-LKFCYVNXSA-N -1 3 302.349 2.894 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCC[C@@H]3C)c[n-]c12 ZINC000133128193 196314275 /nfs/dbraw/zinc/31/42/75/196314275.db2.gz WYCYUFIUBLGQNR-XPTSAGLGSA-N -1 3 302.349 2.894 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000134226869 196371511 /nfs/dbraw/zinc/37/15/11/196371511.db2.gz HKXYERNBNMTRPC-CQSZACIVSA-N -1 3 315.373 2.718 20 0 DFADHM CC(C)n1[n-]cc/c1=N\C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000134337800 196379898 /nfs/dbraw/zinc/37/98/98/196379898.db2.gz HMBTVRMGZBNLDI-UXDCYASTSA-N -1 3 310.401 2.593 20 0 DFADHM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1ccccc1[O-] ZINC000055158280 425892447 /nfs/dbraw/zinc/89/24/47/425892447.db2.gz CJWDLZVLEZUYQT-UHFFFAOYSA-N -1 3 316.332 2.680 20 0 DFADHM Cc1c(NC(=O)c2cc(C)ccc2[O-])cnn1C1CCOCC1 ZINC000295657187 225092561 /nfs/dbraw/zinc/09/25/61/225092561.db2.gz 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C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000669706442 543987023 /nfs/dbraw/zinc/98/70/23/543987023.db2.gz KPZKAYAUZFRFMF-PBHICJAKSA-N -1 3 310.332 2.557 20 0 DFADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000669706442 543987026 /nfs/dbraw/zinc/98/70/26/543987026.db2.gz KPZKAYAUZFRFMF-PBHICJAKSA-N -1 3 310.332 2.557 20 0 DFADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000669706445 543987040 /nfs/dbraw/zinc/98/70/40/543987040.db2.gz KPZKAYAUZFRFMF-YOEHRIQHSA-N -1 3 310.332 2.557 20 0 DFADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000669706445 543987043 /nfs/dbraw/zinc/98/70/43/543987043.db2.gz KPZKAYAUZFRFMF-YOEHRIQHSA-N -1 3 310.332 2.557 20 0 DFADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000669706445 543987045 /nfs/dbraw/zinc/98/70/45/543987045.db2.gz KPZKAYAUZFRFMF-YOEHRIQHSA-N -1 3 310.332 2.557 20 0 DFADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccsc2)c(=O)[n-]1 ZINC000669866594 544001976 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Cc1ccc([O-])c(CN2CCC[C@@H]2c2noc(C(C)C)n2)n1 ZINC000127778660 426085617 /nfs/dbraw/zinc/08/56/17/426085617.db2.gz UQTHJMJRRVVEAL-CYBMUJFWSA-N -1 3 302.378 2.939 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)CC2CCCC2)c1[O-] ZINC000116980512 426203897 /nfs/dbraw/zinc/20/38/97/426203897.db2.gz PIBNRMFAQMVVFN-UHFFFAOYSA-N -1 3 324.808 2.989 20 0 DFADHM CCCNC(=O)CCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979349 426204013 /nfs/dbraw/zinc/20/40/13/426204013.db2.gz ZKYNVPKCWQYNTH-UHFFFAOYSA-N -1 3 312.797 2.989 20 0 DFADHM COc1ccc([O-])c(C(=O)NCCCCc2nc(C)cs2)c1 ZINC000170737739 426147459 /nfs/dbraw/zinc/14/74/59/426147459.db2.gz OGQMALYLRDLCJA-UHFFFAOYSA-N -1 3 320.414 2.918 20 0 DFADHM CC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000130090213 426147538 /nfs/dbraw/zinc/14/75/38/426147538.db2.gz MJGANGYRGGCGQZ-OAHLLOKOSA-N -1 3 307.357 2.999 20 0 DFADHM CC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000130090213 426147541 /nfs/dbraw/zinc/14/75/41/426147541.db2.gz MJGANGYRGGCGQZ-OAHLLOKOSA-N -1 3 307.357 2.999 20 0 DFADHM Cc1nonc1[N-]C(=O)c1cc(C(C)C)nc2onc(C)c21 ZINC000170800093 426151086 /nfs/dbraw/zinc/15/10/86/426151086.db2.gz PKSNHWXMLGMETD-UHFFFAOYSA-N -1 3 301.306 2.598 20 0 DFADHM CC(C)(C)CCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000078080574 426157507 /nfs/dbraw/zinc/15/75/07/426157507.db2.gz QHQFVDZNPHNDFS-QGZVFWFLSA-N -1 3 317.389 2.506 20 0 DFADHM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000115323597 426161603 /nfs/dbraw/zinc/16/16/03/426161603.db2.gz LQTBWQVIGQAXQX-UHFFFAOYSA-N -1 3 313.386 2.845 20 0 DFADHM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000115323597 426161605 /nfs/dbraw/zinc/16/16/05/426161605.db2.gz LQTBWQVIGQAXQX-UHFFFAOYSA-N -1 3 313.386 2.845 20 0 DFADHM Cc1cccc(Oc2ccc(NC(=O)c3cnn[n-]3)cn2)c1C ZINC000115473736 426165302 /nfs/dbraw/zinc/16/53/02/426165302.db2.gz XBBCDZBEXCOKFO-UHFFFAOYSA-N -1 3 309.329 2.861 20 0 DFADHM Cc1cccc(Oc2ccc(NC(=O)c3c[n-]nn3)cn2)c1C ZINC000115473736 426165303 /nfs/dbraw/zinc/16/53/03/426165303.db2.gz XBBCDZBEXCOKFO-UHFFFAOYSA-N -1 3 309.329 2.861 20 0 DFADHM Cc1cccc(Oc2ccc(NC(=O)c3cn[n-]n3)cn2)c1C ZINC000115473736 426165306 /nfs/dbraw/zinc/16/53/06/426165306.db2.gz XBBCDZBEXCOKFO-UHFFFAOYSA-N -1 3 309.329 2.861 20 0 DFADHM FC(F)(F)COCCCSc1n[n-]c(-c2ccccn2)n1 ZINC000117116128 426205732 /nfs/dbraw/zinc/20/57/32/426205732.db2.gz GHHOUJOLUVHZCO-UHFFFAOYSA-N -1 3 318.324 2.928 20 0 DFADHM CCC[C@]1(C)CCCN(C(=O)c2cnc3c(cnn3C)c2[O-])C1 ZINC000132791672 426171662 /nfs/dbraw/zinc/17/16/62/426171662.db2.gz GRYSZQOVWNXHHF-QGZVFWFLSA-N -1 3 316.405 2.716 20 0 DFADHM Cc1cc(C(=O)CSc2n[n-]c(-c3ccccn3)n2)c(C)[nH]1 ZINC000117115142 426205841 /nfs/dbraw/zinc/20/58/41/426205841.db2.gz LUBBQZNRAMMSSM-UHFFFAOYSA-N -1 3 313.386 2.787 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)c1[O-] ZINC000116093545 426179044 /nfs/dbraw/zinc/17/90/44/426179044.db2.gz SQLHUAOCRCONFO-ZWNOBZJWSA-N -1 3 319.307 2.965 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2nnc(C(F)(F)F)s2)c1 ZINC000078678709 426180514 /nfs/dbraw/zinc/18/05/14/426180514.db2.gz BWJUVNZUOXDFLY-UHFFFAOYSA-N -1 3 319.264 2.523 20 0 DFADHM NC(=O)c1ccc(F)c([N-]C(=O)c2ccc(F)c(F)c2F)c1 ZINC000078687316 426181226 /nfs/dbraw/zinc/18/12/26/426181226.db2.gz ADMJEPJWEHRJET-UHFFFAOYSA-N -1 3 312.222 2.594 20 0 DFADHM FC(F)(F)COCCSc1n[n-]c(-c2ccccn2)n1 ZINC000117112720 426206179 /nfs/dbraw/zinc/20/61/79/426206179.db2.gz ZWQFTZSUGNZQMM-UHFFFAOYSA-N -1 3 304.297 2.538 20 0 DFADHM CC(C)(CNC(=O)c1ccc2n[n-]nc2c1)c1ccc(F)cc1 ZINC000171326824 426184011 /nfs/dbraw/zinc/18/40/11/426184011.db2.gz JKQJAJMRMAUUGE-UHFFFAOYSA-N -1 3 312.348 2.805 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)c1 ZINC000133725767 426184178 /nfs/dbraw/zinc/18/41/78/426184178.db2.gz DSGPAJISTLUWMS-UHFFFAOYSA-N -1 3 323.462 2.711 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(F)cc1F ZINC000078776229 426186278 /nfs/dbraw/zinc/18/62/78/426186278.db2.gz XQQIWVYMECBCSJ-UHFFFAOYSA-N -1 3 321.327 2.906 20 0 DFADHM CC[C@]1(C)CN(Cc2cc(=O)oc3c(C)c([O-])ccc23)CCO1 ZINC000135650092 426226043 /nfs/dbraw/zinc/22/60/43/426226043.db2.gz PIWYAPLGITWRAW-GOSISDBHSA-N -1 3 317.385 2.808 20 0 DFADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000135872074 426229386 /nfs/dbraw/zinc/22/93/86/426229386.db2.gz ZJLWPFXOHHAIDB-IAQYHMDHSA-N -1 3 310.419 2.741 20 0 DFADHM COc1cccc(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)c1[O-] ZINC000118274577 426231265 /nfs/dbraw/zinc/23/12/65/426231265.db2.gz AAWYJLHPADINOF-MLGOLLRUSA-N -1 3 321.417 2.972 20 0 DFADHM CC[C@H](C)c1cc(C(=O)[N-]c2nc3c(s2)COCC3)on1 ZINC000172829283 426231886 /nfs/dbraw/zinc/23/18/86/426231886.db2.gz JDDJTYVTUSEPQJ-QMMMGPOBSA-N -1 3 307.375 2.970 20 0 DFADHM CCOc1ncccc1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000136137581 426235989 /nfs/dbraw/zinc/23/59/89/426235989.db2.gz GBZQYLOPNCBBJP-UHFFFAOYSA-N -1 3 320.776 2.698 20 0 DFADHM CC(C)Cc1ncc(NC(=O)c2n[n-]nc2-c2ccccc2)cn1 ZINC000338917793 268740276 /nfs/dbraw/zinc/74/02/76/268740276.db2.gz ZNTVLVKOLVQFOD-UHFFFAOYSA-N -1 3 322.372 2.713 20 0 DFADHM COc1ccc(C(=O)NC[C@H](OC)c2ccc(F)cc2)c([O-])c1 ZINC000084407005 426237414 /nfs/dbraw/zinc/23/74/14/426237414.db2.gz FUIRDIKHCGBZKC-INIZCTEOSA-N -1 3 319.332 2.657 20 0 DFADHM COc1ccc(C(=O)NC[C@@H](OC)c2ccc(F)cc2)c([O-])c1 ZINC000084407007 426237879 /nfs/dbraw/zinc/23/78/79/426237879.db2.gz FUIRDIKHCGBZKC-MRXNPFEDSA-N -1 3 319.332 2.657 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)Cc2c(C)cccc2C)o1 ZINC000338946768 268744383 /nfs/dbraw/zinc/74/43/83/268744383.db2.gz BXCMISBNHTUOQG-CYBMUJFWSA-N -1 3 308.403 2.780 20 0 DFADHM O=C(c1c([O-])cnc2ccccc21)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000136369193 426240296 /nfs/dbraw/zinc/24/02/96/426240296.db2.gz FDQFXONUTBWQNB-GFCCVEGCSA-N -1 3 322.368 2.683 20 0 DFADHM Cc1ccccc1CCCSc1nnc2[n-]c(=O)c(C)nn21 ZINC000084647067 426242081 /nfs/dbraw/zinc/24/20/81/426242081.db2.gz BVLZFDDQEFMIQL-UHFFFAOYSA-N -1 3 315.402 2.567 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc2[nH]ccc21 ZINC000084670975 426242817 /nfs/dbraw/zinc/24/28/17/426242817.db2.gz XSZXVNZNJUHGOC-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc2[nH]ccc21 ZINC000084670975 426242819 /nfs/dbraw/zinc/24/28/19/426242819.db2.gz XSZXVNZNJUHGOC-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccccn2)c(F)cc1F ZINC000084656016 426242896 /nfs/dbraw/zinc/24/28/96/426242896.db2.gz VWQPHDZSGBHQFF-SNVBAGLBSA-N -1 3 312.341 2.708 20 0 DFADHM Cc1csc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)n1 ZINC000084657051 426243065 /nfs/dbraw/zinc/24/30/65/426243065.db2.gz XQXJRANKNJTBHO-UHFFFAOYSA-N -1 3 318.370 2.517 20 0 DFADHM Cc1cc(NC([O-])=NOCC(C)C)n(Cc2ccccc2)n1 ZINC000136709784 426244907 /nfs/dbraw/zinc/24/49/07/426244907.db2.gz ZVRRNXRAJCRUBQ-UHFFFAOYSA-N -1 3 302.378 2.949 20 0 DFADHM Cc1cc(NC(=O)[N-]OCC(C)C)n(Cc2ccccc2)n1 ZINC000136709784 426244909 /nfs/dbraw/zinc/24/49/09/426244909.db2.gz ZVRRNXRAJCRUBQ-UHFFFAOYSA-N -1 3 302.378 2.949 20 0 DFADHM CC[C@H]1CCCC[C@H]1NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000118989932 426254211 /nfs/dbraw/zinc/25/42/11/426254211.db2.gz ANYYRTIBLHITJU-QWHCGFSZSA-N -1 3 321.446 2.567 20 0 DFADHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)Cc2ccc(O)cc2)n1 ZINC000138380389 426257304 /nfs/dbraw/zinc/25/73/04/426257304.db2.gz XVUGGXUQOVBODY-GFCCVEGCSA-N -1 3 301.390 2.513 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(OC(C)(C)C)CC2)on1 ZINC000119120214 426263855 /nfs/dbraw/zinc/26/38/55/426263855.db2.gz SESPWIUXUIWBDP-LBPRGKRZSA-N -1 3 309.410 2.590 20 0 DFADHM O=C(CNC(=O)c1cccc(Cl)c1)Nc1cc(F)ccc1[O-] ZINC000174871313 426266532 /nfs/dbraw/zinc/26/65/32/426266532.db2.gz FLAGOYKBZASLRL-UHFFFAOYSA-N -1 3 322.723 2.553 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2c(c1)NC(=O)CS2 ZINC000174875949 426266610 /nfs/dbraw/zinc/26/66/10/426266610.db2.gz PPDNQMNTZOZDIQ-UHFFFAOYSA-N -1 3 318.329 2.828 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1cc(=O)[nH]c2cc(F)ccc21 ZINC000174886747 426266856 /nfs/dbraw/zinc/26/68/56/426266856.db2.gz IZTPJGRUTDGLOL-UHFFFAOYSA-N -1 3 316.263 2.764 20 0 DFADHM Cn1cc(-c2ncc(C(=O)Nc3cc(F)ccc3[O-])s2)cn1 ZINC000174881574 426266900 /nfs/dbraw/zinc/26/69/00/426266900.db2.gz NQKYZSJNGSIMII-UHFFFAOYSA-N -1 3 318.333 2.641 20 0 DFADHM Cc1cc(C)nc(SCC(=O)Nc2cc(F)ccc2[O-])n1 ZINC000174903135 426268195 /nfs/dbraw/zinc/26/81/95/426268195.db2.gz CQCWXKJJJMATSB-UHFFFAOYSA-N -1 3 307.350 2.669 20 0 DFADHM COc1ccc([C@@H](C)[N-]C(=O)C(F)F)cc1Br ZINC000171829037 426214994 /nfs/dbraw/zinc/21/49/94/426214994.db2.gz HEQCCTZQRVDDRR-ZCFIWIBFSA-N -1 3 308.122 2.900 20 0 DFADHM CS[C@H]1CCC[C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC000117427328 426215057 /nfs/dbraw/zinc/21/50/57/426215057.db2.gz VLOAFVRDHUVLLL-AAEUAGOBSA-N -1 3 322.430 2.755 20 0 DFADHM COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000175277226 426293756 /nfs/dbraw/zinc/29/37/56/426293756.db2.gz RRKWWZMTFYRRJN-LBPRGKRZSA-N -1 3 315.369 2.810 20 0 DFADHM COCCN(Cc1ccc(C)o1)C(=O)c1cccc(OC)c1[O-] ZINC000151394849 426293966 /nfs/dbraw/zinc/29/39/66/426293966.db2.gz PDIIUQGRYPESBF-UHFFFAOYSA-N -1 3 319.357 2.591 20 0 DFADHM CC(C)[C@H](CNC(=O)c1ccc(O)cc1[O-])c1cccnc1 ZINC000175296724 426295079 /nfs/dbraw/zinc/29/50/79/426295079.db2.gz MFXSBHSCKFQPQW-HNNXBMFYSA-N -1 3 300.358 2.662 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[n-]1 ZINC000119565664 426296795 /nfs/dbraw/zinc/29/67/95/426296795.db2.gz HGSBNZDTZQIEOQ-UHFFFAOYSA-N -1 3 324.319 2.683 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)[n-]n1 ZINC000119565664 426296797 /nfs/dbraw/zinc/29/67/97/426296797.db2.gz HGSBNZDTZQIEOQ-UHFFFAOYSA-N -1 3 324.319 2.683 20 0 DFADHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(F)c1)c1nccs1 ZINC000151473742 426297330 /nfs/dbraw/zinc/29/73/30/426297330.db2.gz WMEPSYOCNPWQGE-CYBMUJFWSA-N -1 3 314.407 2.886 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1C)c1ccc(C)o1 ZINC000175350648 426299087 /nfs/dbraw/zinc/29/90/87/426299087.db2.gz GWIJGQUUSQEUHA-AWEZNQCLSA-N -1 3 323.414 2.871 20 0 DFADHM Cc1ccc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)c([O-])c1 ZINC000151496585 426299191 /nfs/dbraw/zinc/29/91/91/426299191.db2.gz BWKHIAPADNFRHF-KRWDZBQOSA-N -1 3 313.353 2.620 20 0 DFADHM O=[S@](Cc1noc(-c2ccccc2)n1)c1ccc([O-])cc1 ZINC000119644464 426300834 /nfs/dbraw/zinc/30/08/34/426300834.db2.gz BZJTXIGHOGXHCL-NRFANRHFSA-N -1 3 300.339 2.750 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCN(C)c3cc(F)ccc32)c1 ZINC000175397075 426301926 /nfs/dbraw/zinc/30/19/26/426301926.db2.gz UHLWIEIGVXRMGR-UHFFFAOYSA-N -1 3 316.332 2.637 20 0 DFADHM Cc1cccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1[O-] ZINC000119796738 426301963 /nfs/dbraw/zinc/30/19/63/426301963.db2.gz YSDNCWCGJMTYGT-BMFZPTHFSA-N -1 3 301.386 2.778 20 0 DFADHM CCCSCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151634378 426305590 /nfs/dbraw/zinc/30/55/90/426305590.db2.gz CFEOOCOFNGYOET-UHFFFAOYSA-N -1 3 318.236 2.914 20 0 DFADHM COc1cccc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)c1[O-] ZINC000175463651 426306744 /nfs/dbraw/zinc/30/67/44/426306744.db2.gz BMQLSZSBGLLGIK-LRDDRELGSA-N -1 3 307.390 2.582 20 0 DFADHM CCCCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000120173921 426307880 /nfs/dbraw/zinc/30/78/80/426307880.db2.gz PXGCWWWCESHADC-OAHLLOKOSA-N -1 3 318.417 2.645 20 0 DFADHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000151699424 426308888 /nfs/dbraw/zinc/30/88/88/426308888.db2.gz UVACWVIXOVZOMQ-GTNSWQLSSA-N -1 3 313.353 2.562 20 0 DFADHM CC(=O)c1cnc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)s1 ZINC000089811380 426310682 /nfs/dbraw/zinc/31/06/82/426310682.db2.gz DGCBQFFJFRRVFU-MRVPVSSYSA-N -1 3 323.399 2.906 20 0 DFADHM C[C@@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)C(C)(C)C ZINC000120744596 426314854 /nfs/dbraw/zinc/31/48/54/426314854.db2.gz ACFGTJLSAIORGY-NSHDSACASA-N -1 3 301.394 2.801 20 0 DFADHM C[C@@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)C(C)(C)C ZINC000120744596 426314856 /nfs/dbraw/zinc/31/48/56/426314856.db2.gz ACFGTJLSAIORGY-NSHDSACASA-N -1 3 301.394 2.801 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c1[O-] ZINC000175582260 426315152 /nfs/dbraw/zinc/31/51/52/426315152.db2.gz QBYDCUIUYZJIGN-PBHICJAKSA-N -1 3 313.353 2.661 20 0 DFADHM CCOC(=O)CN(Cc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000151887331 426318005 /nfs/dbraw/zinc/31/80/05/426318005.db2.gz QODPNDFHTPMVFB-UHFFFAOYSA-N -1 3 313.353 2.598 20 0 DFADHM CCCn1nc(C)c(C(=O)NCc2ccc([O-])c(F)c2)c1C ZINC000121396982 426340280 /nfs/dbraw/zinc/34/02/80/426340280.db2.gz NGXNFHCSNREZKM-UHFFFAOYSA-N -1 3 305.353 2.685 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2F)s1 ZINC000175628316 426319333 /nfs/dbraw/zinc/31/93/33/426319333.db2.gz RBZUBLFMPZWTNI-MRVPVSSYSA-N -1 3 318.370 2.769 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H](CC(C)C)C2)c(=O)[n-]1 ZINC000151927013 426319635 /nfs/dbraw/zinc/31/96/35/426319635.db2.gz VRFWJCLGUWJXGM-OAHLLOKOSA-N -1 3 319.449 2.604 20 0 DFADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)noc1C ZINC000175698222 426321377 /nfs/dbraw/zinc/32/13/77/426321377.db2.gz GAYMRWOZXCNUDN-NEPJUHHUSA-N -1 3 318.464 2.634 20 0 DFADHM CCOCCC1(CNC(=O)c2ccc3n[n-]nc3c2)CCCC1 ZINC000121209171 426325271 /nfs/dbraw/zinc/32/52/71/426325271.db2.gz RPOLQHFMTOXHBU-UHFFFAOYSA-N -1 3 316.405 2.675 20 0 DFADHM COc1ccc(OC)c(CCCNC(=O)c2ccccc2[O-])c1 ZINC000090478629 426327962 /nfs/dbraw/zinc/32/79/62/426327962.db2.gz ACKJKXKQHGMLGT-UHFFFAOYSA-N -1 3 315.369 2.772 20 0 DFADHM Cc1c([O-])ccc2c(CN(C)Cc3nccs3)cc(=O)oc12 ZINC000175053636 426276746 /nfs/dbraw/zinc/27/67/46/426276746.db2.gz MHYHVTPEZFXDSM-UHFFFAOYSA-N -1 3 316.382 2.896 20 0 DFADHM Cc1ccc(NC(=O)c2cn(Cc3cccs3)nn2)c([O-])c1 ZINC000175062174 426277268 /nfs/dbraw/zinc/27/72/68/426277268.db2.gz MIYMJDCWBYWFJW-UHFFFAOYSA-N -1 3 314.370 2.654 20 0 DFADHM CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000119340219 426280333 /nfs/dbraw/zinc/28/03/33/426280333.db2.gz WQOWFHJQBSORKB-LBPRGKRZSA-N -1 3 305.374 2.586 20 0 DFADHM CC(C)CC[C@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119378225 426284118 /nfs/dbraw/zinc/28/41/18/426284118.db2.gz MWSGZWVMVNKIQE-GFCCVEGCSA-N -1 3 316.405 2.715 20 0 DFADHM COc1cc(C(=O)N[C@H]2C[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000119394452 426285388 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Cc1c([O-])ccc2c(CN(C(C)C)[C@H]3CCOC3)cc(=O)oc12 ZINC000291395677 426883700 /nfs/dbraw/zinc/88/37/00/426883700.db2.gz BNAORMLIISNKKM-AWEZNQCLSA-N -1 3 317.385 2.806 20 0 DFADHM Cc1nc(C[C@@H]2CCCN(Cc3c(F)ccc([O-])c3F)C2)no1 ZINC000295266442 426883937 /nfs/dbraw/zinc/88/39/37/426883937.db2.gz HIYSZAVFOQHJBO-NSHDSACASA-N -1 3 323.343 2.817 20 0 DFADHM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000180860881 426893792 /nfs/dbraw/zinc/89/37/92/426893792.db2.gz DGZVGXMUTAMEOE-VFZGTOFNSA-N -1 3 303.289 2.698 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)COC[C@H]2CCOC2)c([O-])c1 ZINC000337645802 426900916 /nfs/dbraw/zinc/90/09/16/426900916.db2.gz HKZBIDKCLRTZGM-LBPRGKRZSA-N -1 3 307.390 2.681 20 0 DFADHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000295312549 426901800 /nfs/dbraw/zinc/90/18/00/426901800.db2.gz PAHMLBVQEPXWAJ-SNVBAGLBSA-N -1 3 324.229 2.839 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCc1ccoc1 ZINC000181027220 426910340 /nfs/dbraw/zinc/91/03/40/426910340.db2.gz 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/nfs/dbraw/zinc/96/26/41/426962641.db2.gz OTPKPKOVNYCRGF-PBHICJAKSA-N -1 3 313.353 2.661 20 0 DFADHM CCn1nc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c2ccccc21 ZINC000319545625 426962963 /nfs/dbraw/zinc/96/29/63/426962963.db2.gz NZAQNGUKPYVJPB-QWHCGFSZSA-N -1 3 301.390 2.599 20 0 DFADHM CS[C@H]1CCN(C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C1 ZINC000295463316 426969892 /nfs/dbraw/zinc/96/98/92/426969892.db2.gz BJFGOPWYIGFEBY-NSHDSACASA-N -1 3 320.389 2.965 20 0 DFADHM CC(C)c1nnc([C@H]2COCCN2Cc2cc([O-])cc(F)c2)o1 ZINC000283183657 426971313 /nfs/dbraw/zinc/97/13/13/426971313.db2.gz ZYNGGHPXZUNIAN-CQSZACIVSA-N -1 3 321.352 2.611 20 0 DFADHM O=S(=O)([N-]Cc1ccsc1Br)c1ccco1 ZINC000337798876 426975171 /nfs/dbraw/zinc/97/51/71/426975171.db2.gz GUHPRABVQTUPAN-UHFFFAOYSA-N -1 3 322.205 2.582 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cn1 ZINC000337805688 426977855 /nfs/dbraw/zinc/97/78/55/426977855.db2.gz JRMWCZCWUPWJNR-UHFFFAOYSA-N -1 3 324.789 2.779 20 0 DFADHM O=C(Nc1nc2ccsc2s1)c1c[n-]nc1[C@@H]1CCOC1 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/nfs/dbraw/zinc/64/81/29/427648129.db2.gz ZCCOJROGJTVAQS-QWHCGFSZSA-N -1 3 314.476 2.946 20 0 DFADHM Cc1nonc1[N-]C(=O)c1sc(-c2c(C)noc2C)nc1C ZINC000298564629 427650599 /nfs/dbraw/zinc/65/05/99/427650599.db2.gz DVXLISGMRKLWAY-UHFFFAOYSA-N -1 3 319.346 2.667 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(C)(C)O ZINC000339068364 427658385 /nfs/dbraw/zinc/65/83/85/427658385.db2.gz GBBZBOYRADRQCA-LBPRGKRZSA-N -1 3 323.817 2.615 20 0 DFADHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccncc3F)ccc2O1 ZINC000272165315 427658540 /nfs/dbraw/zinc/65/85/40/427658540.db2.gz OQMIUCYWUSZVHN-UHFFFAOYSA-N -1 3 322.361 2.735 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)c1[O-] ZINC000272202231 427668765 /nfs/dbraw/zinc/66/87/65/427668765.db2.gz JFAQTGFFWXTVNH-CHWSQXEVSA-N -1 3 307.390 2.724 20 0 DFADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)N(CC)CC)c1C1CC1 ZINC000342788170 272053332 /nfs/dbraw/zinc/05/33/32/272053332.db2.gz VOXFCRCTANBUEK-NSHDSACASA-N -1 3 314.455 2.730 20 0 DFADHM C[C@H]1C[C@@H](NCc2cc([O-])cc(F)c2)C(=O)N1c1ccccc1 ZINC000185556862 427670711 /nfs/dbraw/zinc/67/07/11/427670711.db2.gz ZQUPSXCJWRDWDM-YVEFUNNKSA-N -1 3 314.360 2.815 20 0 DFADHM O=C(Nc1n[nH]c2ccc(F)cc21)c1cc(-c2ccco2)[n-]n1 ZINC000342965693 272072157 /nfs/dbraw/zinc/07/21/57/272072157.db2.gz QLZDYXLYTOZAPB-UHFFFAOYSA-N -1 3 311.276 2.937 20 0 DFADHM O=C(Nc1n[nH]c2ccc(F)cc21)c1cc(-c2ccco2)n[n-]1 ZINC000342965693 272072158 /nfs/dbraw/zinc/07/21/58/272072158.db2.gz QLZDYXLYTOZAPB-UHFFFAOYSA-N -1 3 311.276 2.937 20 0 DFADHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2cccs2)c1 ZINC000342990388 272074221 /nfs/dbraw/zinc/07/42/21/272074221.db2.gz QMVCYMJNJANARL-KGLIPLIRSA-N -1 3 323.439 2.981 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)NCC3(C(F)F)CC3)c(=O)c2c1 ZINC000343006379 272075085 /nfs/dbraw/zinc/07/50/85/272075085.db2.gz DYIFRODKJPHXLU-UHFFFAOYSA-N -1 3 306.312 2.612 20 0 DFADHM CC[C@@H](NC(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O)C(C)C ZINC000343268442 272108970 /nfs/dbraw/zinc/10/89/70/272108970.db2.gz DVJUFKUFFLVTCA-CYBMUJFWSA-N -1 3 320.364 2.840 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(Cn3ccnc3)cn2)ccc1[O-] ZINC000343349071 272125090 /nfs/dbraw/zinc/12/50/90/272125090.db2.gz ZQLVVJRQSOPUSI-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c([O-])c1 ZINC000343385718 272133153 /nfs/dbraw/zinc/13/31/53/272133153.db2.gz LHMKSZBGTRIUHC-WDEREUQCSA-N -1 3 319.357 2.513 20 0 DFADHM Cc1nc(C)c(CC(=O)N2CC[C@@H](C)c3ccccc32)c(=O)[n-]1 ZINC000343398220 272137180 /nfs/dbraw/zinc/13/71/80/272137180.db2.gz IGXFJROAICGFFV-LLVKDONJSA-N -1 3 311.385 2.882 20 0 DFADHM CCc1nc([N-]C(=O)c2sccc2F)sc1C(=O)OC ZINC000343564618 272171130 /nfs/dbraw/zinc/17/11/30/272171130.db2.gz SPFILYXDNJZJQC-UHFFFAOYSA-N -1 3 314.363 2.945 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OCCCO)cc2)c1 ZINC000343588679 272177909 /nfs/dbraw/zinc/17/79/09/272177909.db2.gz JHHARXRAMJZRDH-UHFFFAOYSA-N -1 3 301.342 2.714 20 0 DFADHM CS(=O)(=O)Cc1ccccc1NCc1cc([O-])cc(F)c1 ZINC000185592080 427676273 /nfs/dbraw/zinc/67/62/73/427676273.db2.gz UEFUPAAJMGKBKM-UHFFFAOYSA-N -1 3 309.362 2.688 20 0 DFADHM Cc1ccc([C@H](C)NC(=O)NCc2cnc(C)[n-]c2=O)cc1C ZINC000343703538 272204277 /nfs/dbraw/zinc/20/42/77/272204277.db2.gz IHVHBZQUANRHQF-LBPRGKRZSA-N -1 3 314.389 2.668 20 0 DFADHM O=C(NCc1nc2ccc(F)cc2[nH]1)c1c(F)ccc([O-])c1F ZINC000343771978 272215665 /nfs/dbraw/zinc/21/56/65/272215665.db2.gz VRIIABWJMTYIAB-UHFFFAOYSA-N -1 3 321.258 2.616 20 0 DFADHM O=S(=O)([N-]Cc1ccc[nH]1)c1csc(-c2ccccc2)n1 ZINC000343899476 272233929 /nfs/dbraw/zinc/23/39/29/272233929.db2.gz JGEFZVBJTWVRCU-UHFFFAOYSA-N -1 3 319.411 2.617 20 0 DFADHM CC1(C)CCC[C@@H]1C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000339110218 427680279 /nfs/dbraw/zinc/68/02/79/427680279.db2.gz SCBNCTRLDVYCBV-SNVBAGLBSA-N -1 3 302.827 2.840 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCCCS1)c1ccc(Cl)s1 ZINC000343948913 272242545 /nfs/dbraw/zinc/24/25/45/272242545.db2.gz DUAMIURQVLNBSU-QMMMGPOBSA-N -1 3 311.881 2.966 20 0 DFADHM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)[n-]c(=O)n1 ZINC000343989396 272248301 /nfs/dbraw/zinc/24/83/01/272248301.db2.gz PMSGZUQOONFQOY-DZGCQCFKSA-N -1 3 311.385 2.899 20 0 DFADHM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000344141067 272272714 /nfs/dbraw/zinc/27/27/14/272272714.db2.gz ZMXNANZDKVXIJU-PELKAZGASA-N -1 3 324.229 2.839 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CCCC1(C)C ZINC000339108464 427677872 /nfs/dbraw/zinc/67/78/72/427677872.db2.gz HXTRLCPKBIKGQU-SNVBAGLBSA-N -1 3 303.449 2.861 20 0 DFADHM CC(C)[C@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccncc1 ZINC000344187027 272282464 /nfs/dbraw/zinc/28/24/64/272282464.db2.gz ZRSMIQOPTORJOL-AWEZNQCLSA-N -1 3 322.372 2.640 20 0 DFADHM CC(C)[C@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccncc1 ZINC000344187027 272282465 /nfs/dbraw/zinc/28/24/65/272282465.db2.gz ZRSMIQOPTORJOL-AWEZNQCLSA-N -1 3 322.372 2.640 20 0 DFADHM CC(C)[C@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccncc1 ZINC000344187027 272282467 /nfs/dbraw/zinc/28/24/67/272282467.db2.gz ZRSMIQOPTORJOL-AWEZNQCLSA-N -1 3 322.372 2.640 20 0 DFADHM O=S(=O)([N-][C@H]1CCC[C@H]1F)c1cccc(Br)c1 ZINC000339117197 427682872 /nfs/dbraw/zinc/68/28/72/427682872.db2.gz CMAFJSUVEYGGMQ-MNOVXSKESA-N -1 3 322.199 2.618 20 0 DFADHM CN(Cc1cc([O-])cc(F)c1)[C@H]1CCO[C@H]1c1cccnc1 ZINC000344247083 272296773 /nfs/dbraw/zinc/29/67/73/272296773.db2.gz CZWVMAANGVTEKY-IRXDYDNUSA-N -1 3 302.349 2.888 20 0 DFADHM O=C([N-]c1cc(F)cc(Br)c1F)c1cnccn1 ZINC000344323763 272313016 /nfs/dbraw/zinc/31/30/16/272313016.db2.gz VZJWWYKWKSQZEL-UHFFFAOYSA-N -1 3 314.089 2.770 20 0 DFADHM Cc1ncc(CNCc2cnc(-c3cccs3)s2)c(=O)[n-]1 ZINC000344336532 272315031 /nfs/dbraw/zinc/31/50/31/272315031.db2.gz SRSHXGFUHHGVLO-UHFFFAOYSA-N -1 3 318.427 2.965 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@H](C2CCCC2)C1 ZINC000333745947 427683522 /nfs/dbraw/zinc/68/35/22/427683522.db2.gz MZNKBHOOZBYUJR-NSHDSACASA-N -1 3 302.353 2.749 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@H](C2CCCC2)C1 ZINC000333745947 427683528 /nfs/dbraw/zinc/68/35/28/427683528.db2.gz MZNKBHOOZBYUJR-NSHDSACASA-N -1 3 302.353 2.749 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@H](C2CCCC2)C1 ZINC000333745947 427683534 /nfs/dbraw/zinc/68/35/34/427683534.db2.gz MZNKBHOOZBYUJR-NSHDSACASA-N -1 3 302.353 2.749 20 0 DFADHM Cc1ccc(CNCc2cnc(C)[n-]c2=O)cc1Br ZINC000344367150 272322160 /nfs/dbraw/zinc/32/21/60/272322160.db2.gz UMNCCUSALBGPFD-UHFFFAOYSA-N -1 3 322.206 2.851 20 0 DFADHM CCCN(Cc1nc(CC)cc(=O)[n-]1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000344370301 272322610 /nfs/dbraw/zinc/32/26/10/272322610.db2.gz RARABWYKIHSMSF-IAOVAPTHSA-N -1 3 319.449 2.770 20 0 DFADHM O=C(N[C@H](CO)Cc1ccc(F)cc1)c1cc([O-])ccc1Cl ZINC000344632034 272350287 /nfs/dbraw/zinc/35/02/87/272350287.db2.gz IVHFMETUNHKXQL-LBPRGKRZSA-N -1 3 323.751 2.518 20 0 DFADHM CCCOc1ccccc1NC(=O)NCc1cnc(C)[n-]c1=O ZINC000344882566 272381234 /nfs/dbraw/zinc/38/12/34/272381234.db2.gz OKCUIQPYIMWIGH-UHFFFAOYSA-N -1 3 316.361 2.601 20 0 DFADHM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000344924336 272386271 /nfs/dbraw/zinc/38/62/71/272386271.db2.gz FYBGZBBERZOSAE-UONOGXRCSA-N -1 3 321.398 2.804 20 0 DFADHM C[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)Cn1cccn1 ZINC000344985632 272390044 /nfs/dbraw/zinc/39/00/44/272390044.db2.gz BIFDEUOAQMMJPA-CYBMUJFWSA-N -1 3 319.380 2.503 20 0 DFADHM Cn1ncc2c1ncc(C(=O)N1CC(C)(C)CC(C)(C)C1)c2[O-] ZINC000344991240 272390551 /nfs/dbraw/zinc/39/05/51/272390551.db2.gz WAZNMHMTELPNGN-UHFFFAOYSA-N -1 3 316.405 2.572 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC3(CCC3)[C@@H]2C2CCOCC2)n1 ZINC000333801363 427693957 /nfs/dbraw/zinc/69/39/57/427693957.db2.gz YFJFDNPWTJFCAB-BBRMVZONSA-N -1 3 317.433 2.833 20 0 DFADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCCCO1 ZINC000272294499 427700656 /nfs/dbraw/zinc/70/06/56/427700656.db2.gz VPZOIKLWRYJUKK-IAQYHMDHSA-N -1 3 300.358 2.628 20 0 DFADHM COc1cc(-c2noc(/C=C/c3cncc([O-])c3)n2)cc(C)n1 ZINC000339150050 427704186 /nfs/dbraw/zinc/70/41/86/427704186.db2.gz MXOMYGFMDKOGHC-ONEGZZNKSA-N -1 3 310.313 2.720 20 0 DFADHM C[C@@H](c1ccccc1Cl)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000295143944 427711288 /nfs/dbraw/zinc/71/12/88/427711288.db2.gz FFFQUDZNJIMOIR-WDEREUQCSA-N -1 3 307.781 2.957 20 0 DFADHM Cc1cc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)ccc1[O-] ZINC000272335889 427713395 /nfs/dbraw/zinc/71/33/95/427713395.db2.gz AZAKZLUBGSWSFF-KRWDZBQOSA-N -1 3 311.381 2.944 20 0 DFADHM Cc1cc(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)ccc1[O-] ZINC000272343174 427713928 /nfs/dbraw/zinc/71/39/28/427713928.db2.gz CAAJPMSGLLYPCS-PBHICJAKSA-N -1 3 313.397 2.985 20 0 DFADHM Cc1cc(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)ccc1[O-] ZINC000272343175 427713958 /nfs/dbraw/zinc/71/39/58/427713958.db2.gz CAAJPMSGLLYPCS-RHSMWYFYSA-N -1 3 313.397 2.985 20 0 DFADHM CC[C@H](C[N-]S(=O)(=O)c1cncc(F)c1)c1ccccc1 ZINC000339175114 427718373 /nfs/dbraw/zinc/71/83/73/427718373.db2.gz NZKWVVUFSNQTAP-GFCCVEGCSA-N -1 3 308.378 2.693 20 0 DFADHM CCN(CC(=O)Nc1ncccc1[O-])Cc1ccccc1Cl ZINC000339343227 427757260 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O=C(Nc1nc(-c2ccccc2)co1)c1ccc2n[n-]nc2c1 ZINC000339405623 427769481 /nfs/dbraw/zinc/76/94/81/427769481.db2.gz XDJZYLAQRITQFV-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000300181869 427772105 /nfs/dbraw/zinc/77/21/05/427772105.db2.gz UVCZIUYBMWYDPX-KCPJHIHWSA-N -1 3 309.793 2.811 20 0 DFADHM CCC[C@@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccn1 ZINC000339434027 427775258 /nfs/dbraw/zinc/77/52/58/427775258.db2.gz VQFUUDZSYUEMEQ-GFCCVEGCSA-N -1 3 322.372 2.784 20 0 DFADHM CCC[C@@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccn1 ZINC000339434027 427775260 /nfs/dbraw/zinc/77/52/60/427775260.db2.gz VQFUUDZSYUEMEQ-GFCCVEGCSA-N -1 3 322.372 2.784 20 0 DFADHM CCC[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccn1 ZINC000339434027 427775263 /nfs/dbraw/zinc/77/52/63/427775263.db2.gz VQFUUDZSYUEMEQ-GFCCVEGCSA-N -1 3 322.372 2.784 20 0 DFADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)C1(C)C ZINC000339445789 427777141 /nfs/dbraw/zinc/77/71/41/427777141.db2.gz 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C[C@H](NC(=O)c1c[n-]nn1)c1c(Cl)ccc(F)c1Cl ZINC000194374048 427740464 /nfs/dbraw/zinc/74/04/64/427740464.db2.gz SRXAENCFHHKAHM-YFKPBYRVSA-N -1 3 303.124 2.742 20 0 DFADHM C[C@H](NC(=O)c1cnn[n-]1)c1c(Cl)ccc(F)c1Cl ZINC000194374048 427740468 /nfs/dbraw/zinc/74/04/68/427740468.db2.gz SRXAENCFHHKAHM-YFKPBYRVSA-N -1 3 303.124 2.742 20 0 DFADHM C[C@H](NC(=O)c1cn[n-]n1)c1c(Cl)ccc(F)c1Cl ZINC000194374048 427740473 /nfs/dbraw/zinc/74/04/73/427740473.db2.gz SRXAENCFHHKAHM-YFKPBYRVSA-N -1 3 303.124 2.742 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)cc1[O-] ZINC000334106843 427741828 /nfs/dbraw/zinc/74/18/28/427741828.db2.gz YLPRIEWHSDSXGA-RDJZCZTQSA-N -1 3 319.401 2.918 20 0 DFADHM CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000186041827 427742403 /nfs/dbraw/zinc/74/24/03/427742403.db2.gz IFDCMYHSPKBMJR-OAHLLOKOSA-N -1 3 306.369 2.935 20 0 DFADHM Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)no2)c([O-])c1 ZINC000186093606 427746915 /nfs/dbraw/zinc/74/69/15/427746915.db2.gz ONHOJHOYUXXOLC-UHFFFAOYSA-N 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Cc1ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc1Cl ZINC000341661005 428144251 /nfs/dbraw/zinc/14/42/51/428144251.db2.gz RPZXGGJJQVQLPG-SSDOTTSWSA-N -1 3 301.717 2.878 20 0 DFADHM CCCc1ccc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000377527713 428149255 /nfs/dbraw/zinc/14/92/55/428149255.db2.gz KOBRSOSEVJTXME-UHFFFAOYSA-N -1 3 300.406 2.842 20 0 DFADHM Cc1nc(-c2cccs2)sc1C(=O)[N-]c1ncn(C)n1 ZINC000356450721 428183355 /nfs/dbraw/zinc/18/33/55/428183355.db2.gz FVJIVJTVJVVKIY-UHFFFAOYSA-N -1 3 305.388 2.561 20 0 DFADHM Cc1cc(C(=O)[N-]c2ncn(-c3cccnc3)n2)c(F)cc1F ZINC000370321981 428184529 /nfs/dbraw/zinc/18/45/29/428184529.db2.gz BQVCJRCWNZUCSY-UHFFFAOYSA-N -1 3 315.283 2.501 20 0 DFADHM Cc1cncc(-c2cc([N-]C(=O)c3cccc(F)c3F)no2)c1 ZINC000377572695 428160365 /nfs/dbraw/zinc/16/03/65/428160365.db2.gz KVNNGEYMEWAGMP-UHFFFAOYSA-N -1 3 315.279 3.576 20 0 DFADHM C[C@H]1c2nncn2CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356407779 428167128 /nfs/dbraw/zinc/16/71/28/428167128.db2.gz QBCVUDDLOMCGQM-VIFPVBQESA-N -1 3 312.295 2.579 20 0 DFADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1cc(-c2cncc(C)c2)on1 ZINC000377598878 428167540 /nfs/dbraw/zinc/16/75/40/428167540.db2.gz HJELECSLGGIJGY-UHFFFAOYSA-N -1 3 324.340 3.471 20 0 DFADHM CCc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)ccc1[O-] ZINC000413928616 428168386 /nfs/dbraw/zinc/16/83/86/428168386.db2.gz AMOIUFPHSFJEGS-IAGOWNOFSA-N -1 3 311.381 2.903 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@H](c2ccco2)C1 ZINC000377611815 428171719 /nfs/dbraw/zinc/17/17/19/428171719.db2.gz PGWPVERIWXZRCR-LBPRGKRZSA-N -1 3 308.337 2.751 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)c1[O-] ZINC000360139524 428177269 /nfs/dbraw/zinc/17/72/69/428177269.db2.gz FPPLHYJQHKYUGP-VXGBXAGGSA-N -1 3 305.765 2.830 20 0 DFADHM CCc1cc(=NC(=O)c2ccc(C)nc2[O-])c2ccccc2[nH]1 ZINC000346456161 428179431 /nfs/dbraw/zinc/17/94/31/428179431.db2.gz IYOSLGKIMSVDGY-UHFFFAOYSA-N -1 3 307.353 2.880 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@](CO)(C(C)C)C2)c1 ZINC000360149283 428181098 /nfs/dbraw/zinc/18/10/98/428181098.db2.gz QGVAIGMRSIWAKC-SFHVURJKSA-N -1 3 305.418 2.825 20 0 DFADHM O=S(=O)([N-]C1(c2ccccc2)CCCC1)c1cncc(F)c1 ZINC000356531583 428221182 /nfs/dbraw/zinc/22/11/82/428221182.db2.gz SNLDUSKXYYCEOA-UHFFFAOYSA-N -1 3 320.389 2.969 20 0 DFADHM Cc1nn(C)c(C)c1CCCNCc1c(F)ccc([O-])c1F ZINC000352734079 428223830 /nfs/dbraw/zinc/22/38/30/428223830.db2.gz VHOLOILFJHFHIP-UHFFFAOYSA-N -1 3 309.360 2.743 20 0 DFADHM CO[C@@](C)(C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)C1CC1 ZINC000360260733 428226019 /nfs/dbraw/zinc/22/60/19/428226019.db2.gz JBXOKUIJAFTXOJ-LBPRGKRZSA-N -1 3 323.867 2.803 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]CC2(C)CCCC2)c(F)c1 ZINC000360258049 428226061 /nfs/dbraw/zinc/22/60/61/428226061.db2.gz NRFKKRWHMPFNAY-UHFFFAOYSA-N -1 3 301.383 2.693 20 0 DFADHM Cc1nc([N-]C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)n[nH]1 ZINC000356573889 428239056 /nfs/dbraw/zinc/23/90/56/428239056.db2.gz HPZHWHKVAOBQLK-UHFFFAOYSA-N -1 3 321.312 2.767 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)ccc1[O-] ZINC000414040913 428188829 /nfs/dbraw/zinc/18/88/29/428188829.db2.gz MGLAXMMEJSUGII-OAHLLOKOSA-N -1 3 314.360 2.848 20 0 DFADHM COc1nnccc1[N-]C(=O)c1ncoc1-c1ccc(F)cc1 ZINC000346488129 428192227 /nfs/dbraw/zinc/19/22/27/428192227.db2.gz FZGOIOQHEAGXOR-UHFFFAOYSA-N -1 3 314.276 2.532 20 0 DFADHM CCOC(=O)c1cc([N-]C(=O)c2ocnc2C)c(F)cc1C ZINC000341784555 428197034 /nfs/dbraw/zinc/19/70/34/428197034.db2.gz YTBGXQARAFXOLK-UHFFFAOYSA-N -1 3 306.293 2.860 20 0 DFADHM COc1nc(NC(=O)C(C)(C)CCCc2ccccc2)n[n-]1 ZINC000352675213 428197453 /nfs/dbraw/zinc/19/74/53/428197453.db2.gz ARPCSUOAZILNBE-UHFFFAOYSA-N -1 3 302.378 2.801 20 0 DFADHM COc1nnc(NC(=O)C(C)(C)CCCc2ccccc2)[n-]1 ZINC000352675213 428197458 /nfs/dbraw/zinc/19/74/58/428197458.db2.gz ARPCSUOAZILNBE-UHFFFAOYSA-N -1 3 302.378 2.801 20 0 DFADHM COc1n[n-]c(NC(=O)C(C)(C)CCCc2ccccc2)n1 ZINC000352675213 428197462 /nfs/dbraw/zinc/19/74/62/428197462.db2.gz ARPCSUOAZILNBE-UHFFFAOYSA-N -1 3 302.378 2.801 20 0 DFADHM COc1nnccc1[N-]C(=O)c1ncoc1-c1ccc(C)cc1 ZINC000346504982 428197737 /nfs/dbraw/zinc/19/77/37/428197737.db2.gz CZPOUXCELZQGBS-UHFFFAOYSA-N -1 3 310.313 2.701 20 0 DFADHM COc1nc(NC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)n[n-]1 ZINC000352686592 428202896 /nfs/dbraw/zinc/20/28/96/428202896.db2.gz OKPWXASDGWEZJN-NSHDSACASA-N -1 3 318.377 2.651 20 0 DFADHM COc1nnc(NC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)[n-]1 ZINC000352686592 428202902 /nfs/dbraw/zinc/20/29/02/428202902.db2.gz OKPWXASDGWEZJN-NSHDSACASA-N -1 3 318.377 2.651 20 0 DFADHM COc1n[n-]c(NC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)n1 ZINC000352686592 428202908 /nfs/dbraw/zinc/20/29/08/428202908.db2.gz OKPWXASDGWEZJN-NSHDSACASA-N -1 3 318.377 2.651 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(CC(F)(F)F)CC2)on1 ZINC000342001259 428275198 /nfs/dbraw/zinc/27/51/98/428275198.db2.gz ZGMJBXKNUZBFET-SNVBAGLBSA-N -1 3 319.327 2.974 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C1(c2ccccc2)CCCC1 ZINC000356716109 428281957 /nfs/dbraw/zinc/28/19/57/428281957.db2.gz SNOAUXMKOJCOGJ-CYBMUJFWSA-N -1 3 319.430 2.589 20 0 DFADHM Cc1ccc([O-])c(C(=O)NC[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000356724374 428283258 /nfs/dbraw/zinc/28/32/58/428283258.db2.gz SXBAMAFAXDSDQE-APWZRJJASA-N -1 3 311.381 2.597 20 0 DFADHM O=C(Nc1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc[n-]n1 ZINC000356726381 428286681 /nfs/dbraw/zinc/28/66/81/428286681.db2.gz GEYMJCRWAYQGKI-UHFFFAOYSA-N -1 3 323.143 2.550 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2cc3cccc(F)c3o2)[n-]c(=O)n1 ZINC000356586803 428242348 /nfs/dbraw/zinc/24/23/48/428242348.db2.gz BSVMPPKCAYFEKQ-SECBINFHSA-N -1 3 315.304 2.867 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@H]4CCC[C@H]43)c[n-]c12 ZINC000341919522 428252049 /nfs/dbraw/zinc/25/20/49/428252049.db2.gz OALVEAMYPWESKE-QMTHXVAHSA-N -1 3 300.333 2.600 20 0 DFADHM CC(C)OCc1cc(NC(=O)c2cn(C(C)C)nn2)ccc1[O-] ZINC000356609851 428252421 /nfs/dbraw/zinc/25/24/21/428252421.db2.gz PCADWADOIQPNSB-UHFFFAOYSA-N -1 3 318.377 2.742 20 0 DFADHM CC(C)[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CCO1 ZINC000346650844 428256857 /nfs/dbraw/zinc/25/68/57/428256857.db2.gz YLMHHQVNXYEUMX-INIZCTEOSA-N -1 3 309.381 2.737 20 0 DFADHM Cc1cc(C(=O)Nc2ccc([O-])c(COC(C)C)c2)nn1C ZINC000356827748 428326681 /nfs/dbraw/zinc/32/66/81/428326681.db2.gz VRDQCGWQPNXOSV-UHFFFAOYSA-N -1 3 303.362 2.611 20 0 DFADHM COc1cc([C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)ccn1 ZINC000360571099 428354402 /nfs/dbraw/zinc/35/44/02/428354402.db2.gz YYRFEDPPMHLHPC-JTQLQIEISA-N -1 3 320.776 2.869 20 0 DFADHM Cc1cc(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)[n-]c(=O)n1 ZINC000356768156 428299661 /nfs/dbraw/zinc/29/96/61/428299661.db2.gz TYHHTDHKDUWDOF-ZJUUUORDSA-N -1 3 317.311 2.589 20 0 DFADHM COc1ccc(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)c([O-])c1 ZINC000378401073 428388247 /nfs/dbraw/zinc/38/82/47/428388247.db2.gz ULPYNSGLGOIZBT-UONOGXRCSA-N -1 3 319.401 2.680 20 0 DFADHM C[C@H](CC(C)(C)C)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000357125293 428398528 /nfs/dbraw/zinc/39/85/28/428398528.db2.gz ZTDWAULUCDMFEO-CYBMUJFWSA-N -1 3 320.433 2.701 20 0 DFADHM CC(C)C1CCC([N-]S(=O)(=O)c2cncc(F)c2)CC1 ZINC000357153518 428411867 /nfs/dbraw/zinc/41/18/67/428411867.db2.gz VCVRKJOIKJXUDM-UHFFFAOYSA-N -1 3 300.399 2.714 20 0 DFADHM Cc1ncc(CNCc2sccc2Br)c(=O)[n-]1 ZINC000360714533 428412239 /nfs/dbraw/zinc/41/22/39/428412239.db2.gz PSIGGAHVEHWJCP-UHFFFAOYSA-N -1 3 314.208 2.604 20 0 DFADHM Cn1nccc1CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000357153783 428412669 /nfs/dbraw/zinc/41/26/69/428412669.db2.gz VQPFPHLDZRGRNW-UHFFFAOYSA-N -1 3 313.279 2.716 20 0 DFADHM CC(C)C[C@H](C)n1nccc1NC(=O)NCc1ncccc1[O-] ZINC000346880042 428356656 /nfs/dbraw/zinc/35/66/56/428356656.db2.gz UINHZSCCNYTOFB-LBPRGKRZSA-N -1 3 317.393 2.913 20 0 DFADHM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)[C@H]2C)nc1C ZINC000360601388 428363611 /nfs/dbraw/zinc/36/36/11/428363611.db2.gz XGYDXCLSICFOHV-SCRDCRAPSA-N -1 3 313.467 2.562 20 0 DFADHM Cc1ncsc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000342238821 428364942 /nfs/dbraw/zinc/36/49/42/428364942.db2.gz WLLLOZPBCUILMU-UHFFFAOYSA-N -1 3 317.345 2.993 20 0 DFADHM Cc1ccc([O-])c(CN2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000378331021 428365648 /nfs/dbraw/zinc/36/56/48/428365648.db2.gz CQIMFYLOOJRAKC-ZDUSSCGKSA-N -1 3 314.389 2.736 20 0 DFADHM C[C@@H]1CCc2nc(CN3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)sc2C1 ZINC000414647859 428365863 /nfs/dbraw/zinc/36/58/63/428365863.db2.gz CNCIQWUXORIGIR-BWACUDIHSA-N -1 3 320.458 2.955 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000360621226 428370474 /nfs/dbraw/zinc/37/04/74/428370474.db2.gz SFUIQPDIKOWAIS-KWBADKCTSA-N -1 3 300.424 2.642 20 0 DFADHM Cc1nc(C)c(CCC(=O)NC(C)(C)c2cccs2)c(=O)[n-]1 ZINC000342257981 428370857 /nfs/dbraw/zinc/37/08/57/428370857.db2.gz DJIKMYZYQZLFNG-UHFFFAOYSA-N -1 3 319.430 2.845 20 0 DFADHM CCCC[C@@H](NCc1cc(C(=O)OC)ccc1Cl)C(=O)[O-] ZINC000414685852 428376070 /nfs/dbraw/zinc/37/60/70/428376070.db2.gz UOJAXRVXOVYONZ-CYBMUJFWSA-N -1 3 313.781 2.860 20 0 DFADHM CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cc(F)ccc1[O-] ZINC000378359620 428376481 /nfs/dbraw/zinc/37/64/81/428376481.db2.gz KJMIDPIGORNAQJ-KGLIPLIRSA-N -1 3 306.381 2.620 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000378380260 428384142 /nfs/dbraw/zinc/38/41/42/428384142.db2.gz VFBUGENJRKXAPO-HUUCEWRRSA-N -1 3 320.414 2.906 20 0 DFADHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC000342291667 428387458 /nfs/dbraw/zinc/38/74/58/428387458.db2.gz PTPDLUICRXOHPU-UFBFGSQYSA-N -1 3 323.867 2.883 20 0 DFADHM O=C(Nc1cc2c(cc1F)CCC(=O)N2)c1cccc([O-])c1 ZINC000357206476 428434842 /nfs/dbraw/zinc/43/48/42/428434842.db2.gz PLWASVKZPOAJLX-UHFFFAOYSA-N -1 3 300.289 2.668 20 0 DFADHM C[C@H]1CN(CCN(C)Cc2cccc([O-])c2Cl)C[C@H](C)O1 ZINC000353230538 428439944 /nfs/dbraw/zinc/43/99/44/428439944.db2.gz ONTRXUNCSYAGIZ-STQMWFEESA-N -1 3 312.841 2.587 20 0 DFADHM CN(C(N)=O)c1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000353230278 428442008 /nfs/dbraw/zinc/44/20/08/428442008.db2.gz GZBSVTUZTCKKLJ-UHFFFAOYSA-N -1 3 307.300 2.797 20 0 DFADHM Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1F ZINC000342779664 428453110 /nfs/dbraw/zinc/45/31/10/428453110.db2.gz NKMFARKEMFITFI-UHFFFAOYSA-N -1 3 322.317 2.782 20 0 DFADHM CCCN(C)S(=O)(=O)[N-]c1cnn([C@@H](C)CC)c1C1CC1 ZINC000342792891 428458820 /nfs/dbraw/zinc/45/88/20/428458820.db2.gz QFTWGLDWSKZEJE-NSHDSACASA-N -1 3 314.455 2.730 20 0 DFADHM CC1(C)CCC[C@@H]1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000360843544 428460348 /nfs/dbraw/zinc/46/03/48/428460348.db2.gz YRMGBNFSVMGYEF-CYBMUJFWSA-N -1 3 324.446 2.614 20 0 DFADHM C[C@H]1C[C@H]1c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)o1 ZINC000372142941 428419559 /nfs/dbraw/zinc/41/95/59/428419559.db2.gz GSNZHCXMYGSYEY-NTSWFWBYSA-N -1 3 300.240 2.792 20 0 DFADHM C[C@H]1C[C@H]1c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)o1 ZINC000372142941 428419563 /nfs/dbraw/zinc/41/95/63/428419563.db2.gz GSNZHCXMYGSYEY-NTSWFWBYSA-N -1 3 300.240 2.792 20 0 DFADHM CO[C@](C)(CNC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000360753123 428426040 /nfs/dbraw/zinc/42/60/40/428426040.db2.gz XHXNDJHNZNZAQI-QGZVFWFLSA-N -1 3 309.381 2.785 20 0 DFADHM O=C(c1cccc([O-])c1)N(Cc1ccccc1)CC1(CO)CC1 ZINC000357193863 428428515 /nfs/dbraw/zinc/42/85/15/428428515.db2.gz WEUGXQIJUNFKDM-UHFFFAOYSA-N -1 3 311.381 2.807 20 0 DFADHM O=C(c1ccccc1[O-])N1CC[C@H](n2ncc3ccccc32)C1 ZINC000378584907 428431475 /nfs/dbraw/zinc/43/14/75/428431475.db2.gz CDGOPDGYRIBHTP-AWEZNQCLSA-N -1 3 307.353 2.829 20 0 DFADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000357334183 428486852 /nfs/dbraw/zinc/48/68/52/428486852.db2.gz IQGJAFQULRQYLP-GWCFXTLKSA-N -1 3 311.341 2.634 20 0 DFADHM CCN(CC)S(=O)(=O)[N-]c1cc(C)n(C2CCCCC2)n1 ZINC000357358632 428497579 /nfs/dbraw/zinc/49/75/79/428497579.db2.gz QRKGBIKQFHKFKC-UHFFFAOYSA-N -1 3 314.455 2.695 20 0 DFADHM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1c[n-]nn1 ZINC000342985043 428499889 /nfs/dbraw/zinc/49/98/89/428499889.db2.gz BXVHLRMQEAGTAR-SNVBAGLBSA-N -1 3 313.188 2.863 20 0 DFADHM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cnn[n-]1 ZINC000342985043 428499894 /nfs/dbraw/zinc/49/98/94/428499894.db2.gz BXVHLRMQEAGTAR-SNVBAGLBSA-N -1 3 313.188 2.863 20 0 DFADHM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn[n-]n1 ZINC000342985043 428499897 /nfs/dbraw/zinc/49/98/97/428499897.db2.gz BXVHLRMQEAGTAR-SNVBAGLBSA-N -1 3 313.188 2.863 20 0 DFADHM CC(C)c1nnc([C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)[nH]1 ZINC000342996470 428502120 /nfs/dbraw/zinc/50/21/20/428502120.db2.gz CWGNTJGQNQZXTA-SECBINFHSA-N -1 3 322.796 2.707 20 0 DFADHM Nc1nccc([C@H]2CCCN(Cc3cccc([O-])c3Cl)C2)n1 ZINC000353363632 428503889 /nfs/dbraw/zinc/50/38/89/428503889.db2.gz KFGBGUCRWPHWCA-NSHDSACASA-N -1 3 318.808 2.797 20 0 DFADHM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(C)(C)C ZINC000357385706 428508773 /nfs/dbraw/zinc/50/87/73/428508773.db2.gz AHPSPKMVGCNURA-ZDUSSCGKSA-N -1 3 312.435 2.613 20 0 DFADHM COc1cccc2c1[C@@H](C(=O)NCc1ccc([O-])c(F)c1)CC2 ZINC000343140397 428525437 /nfs/dbraw/zinc/52/54/37/428525437.db2.gz BHTYTXLTYCFVCV-ZDUSSCGKSA-N -1 3 315.344 2.886 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCc2ccc(O)cc2C1 ZINC000357423113 428529812 /nfs/dbraw/zinc/52/98/12/428529812.db2.gz NQHVPJPEPHFOPO-UHFFFAOYSA-N -1 3 317.772 2.879 20 0 DFADHM C[C@H](c1ccc2ccccc2c1)N(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC000347446914 428581538 /nfs/dbraw/zinc/58/15/38/428581538.db2.gz VGCOJIZSBMEDRT-CYBMUJFWSA-N -1 3 322.412 2.987 20 0 DFADHM [O-]c1ccc(F)c(CNCc2ccnc(N3CCCC3)c2)c1F ZINC000353549653 428589842 /nfs/dbraw/zinc/58/98/42/428589842.db2.gz LLQIVCWVONJMNY-UHFFFAOYSA-N -1 3 319.355 2.955 20 0 DFADHM CCc1nnc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)s1 ZINC000357431570 428533612 /nfs/dbraw/zinc/53/36/12/428533612.db2.gz AJMLRNMOYPLFJP-UHFFFAOYSA-N -1 3 314.370 2.503 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2nccs2)CC1 ZINC000373316733 428547421 /nfs/dbraw/zinc/54/74/21/428547421.db2.gz JMTKFLYXBSPJSZ-UHFFFAOYSA-N -1 3 304.371 2.574 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@H]3C3CC3)c[n-]c12 ZINC000361282981 428552909 /nfs/dbraw/zinc/55/29/09/428552909.db2.gz COZLNUXBPPQPPS-OAHLLOKOSA-N -1 3 314.360 2.990 20 0 DFADHM COc1cccc(F)c1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000353473692 428553755 /nfs/dbraw/zinc/55/37/55/428553755.db2.gz GKLDONQYFQSAPV-UHFFFAOYSA-N -1 3 316.292 2.773 20 0 DFADHM COc1cccc(F)c1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000353473692 428553760 /nfs/dbraw/zinc/55/37/60/428553760.db2.gz GKLDONQYFQSAPV-UHFFFAOYSA-N -1 3 316.292 2.773 20 0 DFADHM COc1cccc(F)c1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000353473692 428553766 /nfs/dbraw/zinc/55/37/66/428553766.db2.gz GKLDONQYFQSAPV-UHFFFAOYSA-N -1 3 316.292 2.773 20 0 DFADHM COc1ccc(C)cc1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000347374664 428566701 /nfs/dbraw/zinc/56/67/01/428566701.db2.gz BRCFBKICBMZGNQ-UHFFFAOYSA-N -1 3 312.329 2.563 20 0 DFADHM COc1ccc(C)cc1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000347374664 428566707 /nfs/dbraw/zinc/56/67/07/428566707.db2.gz BRCFBKICBMZGNQ-UHFFFAOYSA-N -1 3 312.329 2.563 20 0 DFADHM COc1ccc(C)cc1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000347374664 428566712 /nfs/dbraw/zinc/56/67/12/428566712.db2.gz 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/nfs/dbraw/zinc/60/05/88/428600588.db2.gz NOSVVSPOMMCTAI-UHFFFAOYSA-N -1 3 307.281 2.515 20 0 DFADHM CC(C)c1ccc([C@@H](NCc2nc(=O)n(C)[n-]2)C(C)C)cc1 ZINC000347547726 428600639 /nfs/dbraw/zinc/60/06/39/428600639.db2.gz XYUVWSOKRILOOS-INIZCTEOSA-N -1 3 302.422 2.719 20 0 DFADHM O=S(=O)([N-]CC[C@@H]1CCOC1)c1c(Cl)cccc1Cl ZINC000343992080 428602166 /nfs/dbraw/zinc/60/21/66/428602166.db2.gz MITCRACJWVTHLB-SECBINFHSA-N -1 3 324.229 2.698 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCCC3)C2)o1 ZINC000408099247 428603734 /nfs/dbraw/zinc/60/37/34/428603734.db2.gz VMMLDWAJDLLRBR-ZDUSSCGKSA-N -1 3 313.419 2.748 20 0 DFADHM O=C(NCc1ncccc1[O-])Nc1ccc2c(c1)C(=O)CCC2 ZINC000344040305 428617178 /nfs/dbraw/zinc/61/71/78/428617178.db2.gz LGJZISYTPAODEM-UHFFFAOYSA-N -1 3 311.341 2.628 20 0 DFADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2ncn(C(C)(C)C)n2)s1 ZINC000344054605 428621747 /nfs/dbraw/zinc/62/17/47/428621747.db2.gz WEQMHEIOFAINDQ-VIFPVBQESA-N -1 3 323.422 2.758 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H](C)[S@@]1=O ZINC000408227278 428623488 /nfs/dbraw/zinc/62/34/88/428623488.db2.gz WLSJMYCDBPJCNL-CUZUWYCNSA-N -1 3 317.410 2.527 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2c(F)cncc2F)c1 ZINC000344158952 428626806 /nfs/dbraw/zinc/62/68/06/428626806.db2.gz NWKGPEASJYAUQS-QMMMGPOBSA-N -1 3 308.284 2.565 20 0 DFADHM O=S(=O)([N-][C@H]1CCCSC1)c1cccc(Cl)c1F ZINC000362113329 428626845 /nfs/dbraw/zinc/62/68/45/428626845.db2.gz XVGHVQZCZFKZLO-QMMMGPOBSA-N -1 3 309.815 2.653 20 0 DFADHM Cc1ncc(CNCc2ccccc2Br)c(=O)[n-]1 ZINC000344299006 428629116 /nfs/dbraw/zinc/62/91/16/428629116.db2.gz FWMGHDJQXJLJFC-UHFFFAOYSA-N -1 3 308.179 2.543 20 0 DFADHM C[C@H]1CC[C@@H](CN2CCC(C(=O)c3ccc([O-])cc3)CC2)O1 ZINC000373711265 428637781 /nfs/dbraw/zinc/63/77/81/428637781.db2.gz KFIKBXNALCNYRM-GUYCJALGSA-N -1 3 303.402 2.854 20 0 DFADHM COC[C@@H](NCc1cnc(C)[n-]c1=O)c1cccc(Cl)c1 ZINC000353652472 428640136 /nfs/dbraw/zinc/64/01/36/428640136.db2.gz ADMJWUNTCZVDEE-CQSZACIVSA-N 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428650551 /nfs/dbraw/zinc/65/05/51/428650551.db2.gz HARPPNKMFPACGZ-MNOVXSKESA-N -1 3 307.394 2.914 20 0 DFADHM CC[C@@]1(C)COCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000408409613 428656082 /nfs/dbraw/zinc/65/60/82/428656082.db2.gz AIAJTTLCLXUFHG-SFHVURJKSA-N -1 3 319.401 2.747 20 0 DFADHM Cc1cc(C(=O)NCCCCc2ccc(F)c(F)c2)[n-]c(=O)n1 ZINC000358879558 428714305 /nfs/dbraw/zinc/71/43/05/428714305.db2.gz PCDGYAKFVXEBTM-UHFFFAOYSA-N -1 3 321.327 2.522 20 0 DFADHM COCCS(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000358890549 428719545 /nfs/dbraw/zinc/71/95/45/428719545.db2.gz YHVAQZOGGQIKRZ-UHFFFAOYSA-N -1 3 320.823 2.646 20 0 DFADHM O=C(NCc1ccccc1C(F)(F)F)c1ccc2n[n-]nc2c1 ZINC000353798636 428721324 /nfs/dbraw/zinc/72/13/24/428721324.db2.gz SANUNIJZSXHGML-UHFFFAOYSA-N -1 3 320.274 2.907 20 0 DFADHM COCCN(C(=O)NCc1ccc([O-])c(F)c1)[C@H]1CC[C@H](C)C1 ZINC000358914432 428730286 /nfs/dbraw/zinc/73/02/86/428730286.db2.gz LKCAITVZZCWUQJ-JSGCOSHPSA-N -1 3 324.396 2.878 20 0 DFADHM COCc1nc(S[C@@H](C(=O)c2ccccc2)C(C)C)n[n-]1 ZINC000353814405 428731120 /nfs/dbraw/zinc/73/11/20/428731120.db2.gz KFAGCZQWAXIWER-CQSZACIVSA-N -1 3 305.403 2.951 20 0 DFADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c(=O)[n-]1 ZINC000348266693 428685488 /nfs/dbraw/zinc/68/54/88/428685488.db2.gz JILCELZFFKTGRY-MISXGVKJSA-N -1 3 305.422 2.673 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c(F)cc1F ZINC000416560174 428753310 /nfs/dbraw/zinc/75/33/10/428753310.db2.gz MNPHVQHBJDNGNE-NRUUGDAUSA-N -1 3 301.358 2.740 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC=C(c2ccccc2F)C1 ZINC000374810908 428755787 /nfs/dbraw/zinc/75/57/87/428755787.db2.gz WQBMPOGNMNKHKN-UHFFFAOYSA-N -1 3 308.316 2.636 20 0 DFADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(C)cs1)C1CC1 ZINC000416597579 428756399 /nfs/dbraw/zinc/75/63/99/428756399.db2.gz NRWMHPIOPVKNKT-GWCFXTLKSA-N -1 3 303.449 2.538 20 0 DFADHM CCc1nnc(NC(=O)c2cc3cc(Cl)sc3[n-]2)s1 ZINC000362583292 428792637 /nfs/dbraw/zinc/79/26/37/428792637.db2.gz 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428766147 /nfs/dbraw/zinc/76/61/47/428766147.db2.gz IGFLYKFUDBPPJM-SSDOTTSWSA-N -1 3 311.350 2.845 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)n1 ZINC000348530612 428770946 /nfs/dbraw/zinc/77/09/46/428770946.db2.gz JHBFJLAVEPFUFS-FMTVUPSXSA-N -1 3 313.401 2.787 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)Cc3ccc(F)cc3F)[n-]2)o1 ZINC000359017208 428774480 /nfs/dbraw/zinc/77/44/80/428774480.db2.gz JWDIXWAAKYZJIZ-UHFFFAOYSA-N -1 3 318.283 2.833 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccc(F)cc3F)n2)o1 ZINC000359017208 428774483 /nfs/dbraw/zinc/77/44/83/428774483.db2.gz JWDIXWAAKYZJIZ-UHFFFAOYSA-N -1 3 318.283 2.833 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(F)cc3F)n[n-]2)o1 ZINC000359017208 428774486 /nfs/dbraw/zinc/77/44/86/428774486.db2.gz JWDIXWAAKYZJIZ-UHFFFAOYSA-N -1 3 318.283 2.833 20 0 DFADHM Cc1ccc(-c2noc([N-]Cc3cn4ccsc4n3)n2)cc1 ZINC000362562687 428790515 /nfs/dbraw/zinc/79/05/15/428790515.db2.gz UKIVRUUYNPSOMC-UHFFFAOYSA-N -1 3 311.370 3.366 20 0 DFADHM 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CCc1ccc([O-])c(C(=O)NCCOCC(F)(F)C(F)F)c1 ZINC000434324823 429080716 /nfs/dbraw/zinc/08/07/16/429080716.db2.gz FYYVAABYDZRJBB-UHFFFAOYSA-N -1 3 323.286 2.601 20 0 DFADHM CSc1cc(C)ccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424064189 429085262 /nfs/dbraw/zinc/08/52/62/429085262.db2.gz JQTOMASTFRZRBQ-UHFFFAOYSA-N -1 3 315.460 2.885 20 0 DFADHM C[C@@H]1[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)[C@@H]1c1ccccc1 ZINC000435576219 429149802 /nfs/dbraw/zinc/14/98/02/429149802.db2.gz GCSHHIQVMZWKGY-UJNFCWOMSA-N -1 3 310.279 2.812 20 0 DFADHM C[C@@H]1[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)[C@@H]1c1ccccc1 ZINC000435576219 429149808 /nfs/dbraw/zinc/14/98/08/429149808.db2.gz GCSHHIQVMZWKGY-UJNFCWOMSA-N -1 3 310.279 2.812 20 0 DFADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CCC[C@H](F)C1 ZINC000424562345 429153679 /nfs/dbraw/zinc/15/36/79/429153679.db2.gz NHUBBYPOTBXZMJ-MNOVXSKESA-N -1 3 314.382 2.525 20 0 DFADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1ccc(Cl)s1 ZINC000364014252 429157870 /nfs/dbraw/zinc/15/78/70/429157870.db2.gz 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/nfs/dbraw/zinc/13/69/85/429136985.db2.gz OCWCEEPSRMFFEF-ZUZCIYMTSA-N -1 3 321.808 2.912 20 0 DFADHM C[C@H]1CCCN(Cc2nc3ccc(Cl)cc3n2C)[C@@H]1C(=O)[O-] ZINC000424419309 429137184 /nfs/dbraw/zinc/13/71/84/429137184.db2.gz OCWCEEPSRMFFEF-BONVTDFDSA-N -1 3 321.808 2.912 20 0 DFADHM Cc1ccc([O-])c(CNc2cccc(N3CCNC3=O)c2C)n1 ZINC000487167438 429138733 /nfs/dbraw/zinc/13/87/33/429138733.db2.gz ZXXIIILNQIYYKU-UHFFFAOYSA-N -1 3 312.373 2.546 20 0 DFADHM C[C@H]1CN2CCCC[C@H]2CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000363918477 429139563 /nfs/dbraw/zinc/13/95/63/429139563.db2.gz QMFHJDXHWIHIFI-JSGCOSHPSA-N -1 3 322.836 2.673 20 0 DFADHM CCc1cc(C(=O)N2CC[S@](=O)C(CC)(CC)C2)ccc1[O-] ZINC000487188264 429140649 /nfs/dbraw/zinc/14/06/49/429140649.db2.gz FPHRRKAITCCXRM-QFIPXVFZSA-N -1 3 323.458 2.718 20 0 DFADHM COc1cccc(C(=O)N2CC(Cc3ccccc3F)C2)c1[O-] ZINC000364037948 429161586 /nfs/dbraw/zinc/16/15/86/429161586.db2.gz BMSYWLFJTUQUKN-UHFFFAOYSA-N -1 3 315.344 2.855 20 0 DFADHM Cc1c[nH]cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488672782 429189215 /nfs/dbraw/zinc/18/92/15/429189215.db2.gz FKRQOVQSTMWGNH-UHFFFAOYSA-N -1 3 309.163 2.721 20 0 DFADHM COC(=O)Nc1cccc(NC([O-])=NOCc2cccnc2)c1 ZINC000495268962 429194263 /nfs/dbraw/zinc/19/42/63/429194263.db2.gz ACQSZHFPFFNOCS-UHFFFAOYSA-N -1 3 316.317 2.513 20 0 DFADHM COC(=O)Nc1cccc(NC(=O)[N-]OCc2cccnc2)c1 ZINC000495268962 429194265 /nfs/dbraw/zinc/19/42/65/429194265.db2.gz ACQSZHFPFFNOCS-UHFFFAOYSA-N -1 3 316.317 2.513 20 0 DFADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000442770159 429234278 /nfs/dbraw/zinc/23/42/78/429234278.db2.gz PDEYFBQFCLSWGX-RKDXNWHRSA-N -1 3 308.325 2.567 20 0 DFADHM CC(C)[C@@H]([N-]S(=O)(=O)CC(C)(C)C)c1nc(C2CC2)no1 ZINC000442956405 429242801 /nfs/dbraw/zinc/24/28/01/429242801.db2.gz OJFXMZICWUNQGW-LLVKDONJSA-N -1 3 315.439 2.610 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[O-] ZINC000456110560 429243169 /nfs/dbraw/zinc/24/31/69/429243169.db2.gz FEICDUZEACBMHH-INMHGKMJSA-N -1 3 303.402 2.720 20 0 DFADHM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2ccc(C)o2)cc1 ZINC000445716945 429288499 /nfs/dbraw/zinc/28/84/99/429288499.db2.gz XHIHSHLBTXAIDW-UHFFFAOYSA-N -1 3 323.414 2.896 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCc2cccc(N3CCC3=O)c2)c1 ZINC000443035409 429243871 /nfs/dbraw/zinc/24/38/71/429243871.db2.gz CGCSLLDPPXSRDN-UHFFFAOYSA-N -1 3 324.380 2.621 20 0 DFADHM O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000489612903 429253779 /nfs/dbraw/zinc/25/37/79/429253779.db2.gz FQAPAZZWFXLALB-HNNXBMFYSA-N -1 3 305.761 2.899 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCSC[C@@H]1C1CC1 ZINC000456193525 429256186 /nfs/dbraw/zinc/25/61/86/429256186.db2.gz YRNYEISHQSWMSE-CQSZACIVSA-N -1 3 311.834 2.942 20 0 DFADHM CCCCN(C(=O)c1cc(C)nc(=O)[n-]1)[C@@H]1CCCC[C@H]1OC ZINC000456199156 429256509 /nfs/dbraw/zinc/25/65/09/429256509.db2.gz USNIJDHOZVKECV-HUUCEWRRSA-N -1 3 321.421 2.691 20 0 DFADHM C[C@H](N=c1nc2[nH][n-]cc-2c(N)n1)c1cc(Cl)ccc1Cl ZINC000489927448 429267488 /nfs/dbraw/zinc/26/74/88/429267488.db2.gz SIWUVUXQRQIHBW-LURJTMIESA-N -1 3 323.187 2.789 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000456292268 429271772 /nfs/dbraw/zinc/27/17/72/429271772.db2.gz APTZMQALOGCVFF-GRYCIOLGSA-N -1 3 309.793 2.669 20 0 DFADHM CSc1ccc(C(=O)N2CCC(n3ccnc3)CC2)c([O-])c1 ZINC000365513569 429330723 /nfs/dbraw/zinc/33/07/23/429330723.db2.gz OIWYXLYEZLHAMR-UHFFFAOYSA-N -1 3 317.414 2.788 20 0 DFADHM COc1cc(C(=O)N2CCC23CCCCC3)cc(OC)c1[O-] ZINC000365520425 429333044 /nfs/dbraw/zinc/33/30/44/429333044.db2.gz GLCYCXIFUKLDJN-UHFFFAOYSA-N -1 3 305.374 2.958 20 0 DFADHM O=C(/C=C/c1cnccn1)Nc1ccc(Br)cc1[O-] ZINC000491238240 429337933 /nfs/dbraw/zinc/33/79/33/429337933.db2.gz VDOOPHPQLDTNAN-DUXPYHPUSA-N -1 3 320.146 2.597 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000445739348 429291548 /nfs/dbraw/zinc/29/15/48/429291548.db2.gz BQFXGYBOARUTBA-NXEZZACHSA-N -1 3 311.325 2.927 20 0 DFADHM COC(=O)Nc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000490712538 429302307 /nfs/dbraw/zinc/30/23/07/429302307.db2.gz FEZVJQWBFHVWOX-UHFFFAOYSA-N -1 3 316.313 2.831 20 0 DFADHM Cc1ccc(-c2cc(NC(=O)c3c([O-])cccc3O)n[nH]2)s1 ZINC000447547826 429304758 /nfs/dbraw/zinc/30/47/58/429304758.db2.gz FMFVKHUXQYCJEM-UHFFFAOYSA-N -1 3 315.354 3.110 20 0 DFADHM Cn1cc([C@H]2CCCN(C(=O)c3cc([O-])ccc3Cl)C2)cn1 ZINC000365594442 429346961 /nfs/dbraw/zinc/34/69/61/429346961.db2.gz IUAXREFQCHKLJG-NSHDSACASA-N -1 3 319.792 2.799 20 0 DFADHM COc1cccc(C(=O)Nc2cc(C3(C)CCCC3)on2)c1[O-] ZINC000448416966 429312794 /nfs/dbraw/zinc/31/27/94/429312794.db2.gz WYSUQFUKQGIYDL-UHFFFAOYSA-N -1 3 316.357 3.473 20 0 DFADHM O=C(NC1CC(C(F)(F)F)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000490937207 429313913 /nfs/dbraw/zinc/31/39/13/429313913.db2.gz BGIMOYYKIOREAY-UHFFFAOYSA-N -1 3 310.275 2.599 20 0 DFADHM COc1cccc(C(=O)NCC2(c3ncccc3C)CC2)c1[O-] ZINC000366065775 429410881 /nfs/dbraw/zinc/41/08/81/429410881.db2.gz YZJUFCUEYDWBTM-UHFFFAOYSA-N -1 3 312.369 2.566 20 0 DFADHM CCc1cc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)ccc1[O-] ZINC000365886928 429395355 /nfs/dbraw/zinc/39/53/55/429395355.db2.gz RYOQAKWHXDMBET-YOEHRIQHSA-N -1 3 321.442 2.739 20 0 DFADHM CC1(C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)[C@@H]2COC[C@@H]21 ZINC000457089381 429395642 /nfs/dbraw/zinc/39/56/42/429395642.db2.gz QVQAMJOAJJQVER-JKSUJKDBSA-N -1 3 315.413 2.768 20 0 DFADHM CCc1nn(C)cc1-c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000426607103 429405098 /nfs/dbraw/zinc/40/50/98/429405098.db2.gz DAPAWLOULJHZTK-UHFFFAOYSA-N -1 3 318.764 2.982 20 0 DFADHM COc1cc(C(=O)N2CC(C)(CC(F)(F)F)C2)ccc1[O-] ZINC000457122115 429407470 /nfs/dbraw/zinc/40/74/70/429407470.db2.gz QPQCKMZYPYFLJO-UHFFFAOYSA-N -1 3 303.280 2.815 20 0 DFADHM CC(=O)Nc1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000426681307 429409270 /nfs/dbraw/zinc/40/92/70/429409270.db2.gz WZAKHWLOGYJYOH-UHFFFAOYSA-N -1 3 312.369 2.562 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCCC[C@@H]3CCOC3)c([O-])c2O1 ZINC000456786525 429348550 /nfs/dbraw/zinc/34/85/50/429348550.db2.gz YNGYMLKHZWPXPX-GFCCVEGCSA-N -1 3 319.401 2.652 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCCC[C@H]3COC)ccc2[n-]1 ZINC000456954532 429369296 /nfs/dbraw/zinc/36/92/96/429369296.db2.gz GDRGCIGECOQNNT-ZDUSSCGKSA-N -1 3 317.389 2.603 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCCC[C@H]3COC)cc2[n-]1 ZINC000456954532 429369300 /nfs/dbraw/zinc/36/93/00/429369300.db2.gz GDRGCIGECOQNNT-ZDUSSCGKSA-N -1 3 317.389 2.603 20 0 DFADHM Cn1ncc2c1ncc(C(=O)N1CC[C@@H](CC(C)(C)C)C1)c2[O-] ZINC000457041763 429382617 /nfs/dbraw/zinc/38/26/17/429382617.db2.gz GBAVKGAXZVUFFJ-NSHDSACASA-N -1 3 316.405 2.572 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(=O)c3ccccc3[n-]1)CO2 ZINC000366269339 429444798 /nfs/dbraw/zinc/44/47/98/429444798.db2.gz CUQNBLQYIAEGME-INIZCTEOSA-N -1 3 320.348 2.700 20 0 DFADHM O=C([O-])c1cnccc1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000519161691 429450551 /nfs/dbraw/zinc/45/05/51/429450551.db2.gz LVDLIQIISDXIOB-QPJJXVBHSA-N -1 3 323.396 2.615 20 0 DFADHM O=c1[n-]c(-c2ccc(O)cn2)nc2ccc(Br)cc12 ZINC000427440615 429451353 /nfs/dbraw/zinc/45/13/53/429451353.db2.gz DJWNMPUWNRZDRN-UHFFFAOYSA-N -1 3 318.130 2.866 20 0 DFADHM CC(=O)CSCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000427501956 429454236 /nfs/dbraw/zinc/45/42/36/429454236.db2.gz LVOLBNXSSHRUPN-UHFFFAOYSA-N -1 3 323.292 2.552 20 0 DFADHM Cc1ccc(C(=O)N2CC(C)(C)O[C@@]3(CCCOC3)C2)c([O-])c1 ZINC000366458651 429455929 /nfs/dbraw/zinc/45/59/29/429455929.db2.gz LPXJVJYQCLOJRA-SFHVURJKSA-N -1 3 319.401 2.501 20 0 DFADHM CC1(C)Cc2cccc(CN[C@H](Cc3ccco3)C(=O)[O-])c2O1 ZINC000426818609 429418968 /nfs/dbraw/zinc/41/89/68/429418968.db2.gz VXQQJKUVVXQATC-OAHLLOKOSA-N -1 3 315.369 2.779 20 0 DFADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)C[C@H](C2CC2)O1 ZINC000366226020 429436499 /nfs/dbraw/zinc/43/64/99/429436499.db2.gz UTOABNCGQPKRTA-MEBBXXQBSA-N -1 3 309.793 2.614 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC[C@@](C)(O)CC2)c([O-])c1 ZINC000366220322 429436695 /nfs/dbraw/zinc/43/66/95/429436695.db2.gz BZVQFDIMQCTTFJ-GOSISDBHSA-N -1 3 321.417 2.948 20 0 DFADHM COc1cc(OC)c(NC(=O)/C=C/c2cncc([O-])c2)cc1F ZINC000492392416 429527675 /nfs/dbraw/zinc/52/76/75/429527675.db2.gz CIQSYIFUMUOYAJ-ONEGZZNKSA-N -1 3 318.304 2.595 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)c([O-])c1 ZINC000449877143 429529745 /nfs/dbraw/zinc/52/97/45/429529745.db2.gz OUQZCNNDKASXNF-RKDXNWHRSA-N -1 3 317.263 2.706 20 0 DFADHM CCC(C)(C)OCC(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000457487326 429474052 /nfs/dbraw/zinc/47/40/52/429474052.db2.gz PJXGQPGJPSLURN-UHFFFAOYSA-N -1 3 318.377 2.624 20 0 DFADHM CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2ccccc2OC(C)C)C1 ZINC000519708021 429481880 /nfs/dbraw/zinc/48/18/80/429481880.db2.gz OCVOALZEZZMFGG-CABCVRRESA-N -1 3 307.390 2.538 20 0 DFADHM O=C(NCCc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C2CC2)n1 ZINC000519770080 429486404 /nfs/dbraw/zinc/48/64/04/429486404.db2.gz DLFCDJYQICVPDY-UHFFFAOYSA-N -1 3 322.368 2.513 20 0 DFADHM C[C@@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C(=O)[O-] ZINC000519770396 429487327 /nfs/dbraw/zinc/48/73/27/429487327.db2.gz KUGKTRADFARGAU-MLGOLLRUSA-N -1 3 317.364 2.554 20 0 DFADHM Cc1nn(C)c2cc(NC(=O)c3cc(C(F)(F)F)n[n-]3)ccc12 ZINC000428312079 429509398 /nfs/dbraw/zinc/50/93/98/429509398.db2.gz VBBZSPASAFFKRP-UHFFFAOYSA-N -1 3 323.278 2.876 20 0 DFADHM Cc1nn(C)c2cc(NC(=O)c3cc(C(F)(F)F)[n-]n3)ccc12 ZINC000428312079 429509402 /nfs/dbraw/zinc/50/94/02/429509402.db2.gz VBBZSPASAFFKRP-UHFFFAOYSA-N -1 3 323.278 2.876 20 0 DFADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366808839 429518062 /nfs/dbraw/zinc/51/80/62/429518062.db2.gz KBVWMTSNIHLJCQ-XNJGSVPQSA-N -1 3 309.381 2.690 20 0 DFADHM O=C(/C=C\c1cccc(CO)c1)N1CCCc2cccc([O-])c21 ZINC000492356014 429519111 /nfs/dbraw/zinc/51/91/11/429519111.db2.gz CFJGDCVFWQJCBC-KTKRTIGZSA-N -1 3 309.365 2.877 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000457741415 429519568 /nfs/dbraw/zinc/51/95/68/429519568.db2.gz UMDXZFWVWDEPCB-GMEUVTARSA-N -1 3 317.263 2.797 20 0 DFADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCOC[C@@H](C2CCC2)C1 ZINC000520594004 429521966 /nfs/dbraw/zinc/52/19/66/429521966.db2.gz BWRWINVGHHEQSY-GOEBONIOSA-N -1 3 307.365 2.700 20 0 DFADHM CC[C@@H](CC(C)C)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000449832878 429521965 /nfs/dbraw/zinc/52/19/65/429521965.db2.gz CYXKPILFBLKZMV-AWEZNQCLSA-N -1 3 320.433 2.701 20 0 DFADHM COC(=O)Nc1cccc(NC(=O)C=Cc2cncc([O-])c2)c1 ZINC000492381513 429524454 /nfs/dbraw/zinc/52/44/54/429524454.db2.gz CILOQCXMXGXXLG-AATRIKPKSA-N -1 3 313.313 2.617 20 0 DFADHM CCC[C@@H](CC(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000449848800 429524546 /nfs/dbraw/zinc/52/45/46/429524546.db2.gz GZQFTJIWHOGKAG-HNNXBMFYSA-N -1 3 315.421 2.945 20 0 DFADHM CCC[C@@H](CC(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000449848800 429524551 /nfs/dbraw/zinc/52/45/51/429524551.db2.gz GZQFTJIWHOGKAG-HNNXBMFYSA-N -1 3 315.421 2.945 20 0 DFADHM C[C@@]1(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)C[C@H]1F ZINC000521428253 429550712 /nfs/dbraw/zinc/55/07/12/429550712.db2.gz DNWNUIHJRSYGSE-IAQYHMDHSA-N -1 3 300.293 2.905 20 0 DFADHM C[C@@]1(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)C[C@H]1F ZINC000521428253 429550718 /nfs/dbraw/zinc/55/07/18/429550718.db2.gz DNWNUIHJRSYGSE-IAQYHMDHSA-N -1 3 300.293 2.905 20 0 DFADHM C[C@@]1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C[C@H]1F ZINC000521428253 429550721 /nfs/dbraw/zinc/55/07/21/429550721.db2.gz DNWNUIHJRSYGSE-IAQYHMDHSA-N -1 3 300.293 2.905 20 0 DFADHM CCN(CC)[C@H](CNc1nc(C(=O)[O-])c(C)s1)c1ccco1 ZINC000521441466 429552727 /nfs/dbraw/zinc/55/27/27/429552727.db2.gz RLFOFXPMKBOKJS-LLVKDONJSA-N -1 3 323.418 3.238 20 0 DFADHM O=C(/C=C\c1ccc(-c2ccccc2F)o1)[N-]O[C@H]1CCOC1 ZINC000492507198 429554964 /nfs/dbraw/zinc/55/49/64/429554964.db2.gz RNLDMOWYGQPZQK-WOLRVDTOSA-N -1 3 317.316 2.936 20 0 DFADHM CC(C)CCn1nccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000492519066 429555560 /nfs/dbraw/zinc/55/55/60/429555560.db2.gz ISOUJBMDSZZBAK-ONEGZZNKSA-N -1 3 300.362 2.682 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000492516327 429556090 /nfs/dbraw/zinc/55/60/90/429556090.db2.gz 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BEBXBBAIQSKDTH-UHFFFAOYSA-N -1 3 320.403 2.562 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cnc(C3CC3)nc2N)c2c([O-])cccc21 ZINC000613576063 430576558 /nfs/dbraw/zinc/57/65/58/430576558.db2.gz HELLHKONJXMVLW-SNVBAGLBSA-N -1 3 324.384 2.796 20 0 DFADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615135316 430579360 /nfs/dbraw/zinc/57/93/60/430579360.db2.gz FTCNLHMYRXHKDF-ZETCQYMHSA-N -1 3 301.268 3.186 20 0 DFADHM CC(=O)c1cccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000552069301 430582420 /nfs/dbraw/zinc/58/24/20/430582420.db2.gz NEARSSMQYIYICD-TUAOUCFPSA-N -1 3 304.390 2.795 20 0 DFADHM C[C@H](NCc1ncccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000552113703 430585174 /nfs/dbraw/zinc/58/51/74/430585174.db2.gz FOFVZPASFZPXMQ-LBPRGKRZSA-N -1 3 312.348 2.963 20 0 DFADHM CCc1cnc(C(=O)[N-]c2nnc(CCC(C)C)s2)s1 ZINC000617095530 430589865 /nfs/dbraw/zinc/58/98/65/430589865.db2.gz SDKWJTYRCONCCH-UHFFFAOYSA-N -1 3 310.448 3.398 20 0 DFADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC[C@@H](O)CC3)c2c1 ZINC000570931294 430590513 /nfs/dbraw/zinc/59/05/13/430590513.db2.gz KNPKSSCDWQGBNC-CYBMUJFWSA-N -1 3 314.385 2.901 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2cccc(C3CCC3)c2)n[n-]1 ZINC000619615357 430596909 /nfs/dbraw/zinc/59/69/09/430596909.db2.gz PCLWREPOWZODNG-UHFFFAOYSA-N -1 3 313.357 3.106 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2cccc(C3CCC3)c2)[n-]n1 ZINC000619615357 430596913 /nfs/dbraw/zinc/59/69/13/430596913.db2.gz PCLWREPOWZODNG-UHFFFAOYSA-N -1 3 313.357 3.106 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2COC(C)C)o1 ZINC000552596434 430599733 /nfs/dbraw/zinc/59/97/33/430599733.db2.gz WBYOAZSQFCSAQW-UHFFFAOYSA-N -1 3 323.414 2.992 20 0 DFADHM COc1ccc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])cn1 ZINC000571054980 430600302 /nfs/dbraw/zinc/60/03/02/430600302.db2.gz UEKYFWFAERMTLH-AWEZNQCLSA-N -1 3 314.385 2.813 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cnc(CC2CC2)nc1 ZINC000552690113 430600602 /nfs/dbraw/zinc/60/06/02/430600602.db2.gz MIBCHYXANHBVGM-UHFFFAOYSA-N -1 3 317.776 2.969 20 0 DFADHM CCc1cc(C(=O)Nc2cc(C(N)=O)sc2C)ccc1[O-] ZINC000644019502 430650825 /nfs/dbraw/zinc/65/08/25/430650825.db2.gz JDSYOUQAOFVIHG-UHFFFAOYSA-N -1 3 304.371 2.676 20 0 DFADHM [O-]c1cccnc1CN1CCC(CCCn2ccnc2)CC1 ZINC000554884219 430654183 /nfs/dbraw/zinc/65/41/83/430654183.db2.gz WCYYITXMOBTSCH-UHFFFAOYSA-N -1 3 300.406 2.676 20 0 DFADHM CCc1nccn1C[C@H]1CCCN1C(=O)c1cc([O-])ccc1F ZINC000571851214 430655916 /nfs/dbraw/zinc/65/59/16/430655916.db2.gz DGMUEBWLSBZHSP-GFCCVEGCSA-N -1 3 317.364 2.595 20 0 DFADHM O=S(=O)([N-]CC1CC(c2ccccc2)C1)c1cncc(F)c1 ZINC000554927933 430656209 /nfs/dbraw/zinc/65/62/09/430656209.db2.gz JCHOHUBYLBKKMP-UHFFFAOYSA-N -1 3 320.389 2.693 20 0 DFADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000571830167 430656870 /nfs/dbraw/zinc/65/68/70/430656870.db2.gz OXNKNLYZZWYLNM-JSGCOSHPSA-N -1 3 316.430 2.876 20 0 DFADHM CCc1cc(C(=O)NCc2nn(C)c3ccccc23)ccc1[O-] ZINC000644062679 430656986 /nfs/dbraw/zinc/65/69/86/430656986.db2.gz WFUYYWFLAJLZNP-UHFFFAOYSA-N -1 3 309.369 2.771 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)c1 ZINC000571863626 430657987 /nfs/dbraw/zinc/65/79/87/430657987.db2.gz ICYSZBWDUUGXER-CYBMUJFWSA-N -1 3 309.412 2.606 20 0 DFADHM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571893411 430659509 /nfs/dbraw/zinc/65/95/09/430659509.db2.gz BFUMHGHACYTSKD-OLZOCXBDSA-N -1 3 301.390 2.616 20 0 DFADHM O=C(Nc1ccccc1N1CCCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000552917642 430603787 /nfs/dbraw/zinc/60/37/87/430603787.db2.gz CIJMNXRCBVMWIO-UHFFFAOYSA-N -1 3 324.384 2.912 20 0 DFADHM C[C@@H]1CN(Cc2nc3cc(Cl)ccc3n2C)C[C@@]1(C)C(=O)[O-] ZINC000571173491 430610524 /nfs/dbraw/zinc/61/05/24/430610524.db2.gz XABBYXHMRYGMGZ-QLJPJBMISA-N -1 3 321.808 2.769 20 0 DFADHM CCN(CCOc1ccccc1C(=O)[O-])CCc1nccs1 ZINC000571172316 430610790 /nfs/dbraw/zinc/61/07/90/430610790.db2.gz VGPVRWHYBGAPRO-UHFFFAOYSA-N -1 3 320.414 2.785 20 0 DFADHM O=C([O-])[C@H]1CCCN(Cc2ccc(-c3ncco3)cc2F)C1 ZINC000571338126 430620839 /nfs/dbraw/zinc/62/08/39/430620839.db2.gz WQTVAZJBGXMPHM-ZDUSSCGKSA-N -1 3 304.321 2.777 20 0 DFADHM O=C([O-])c1cnc2ccccc2c1NC[C@H]1CCCn2ccnc21 ZINC000571330309 430620997 /nfs/dbraw/zinc/62/09/97/430620997.db2.gz JXYDNCFSWUCQKK-GFCCVEGCSA-N -1 3 322.368 2.541 20 0 DFADHM Cc1cnc(C[N-]S(=O)(=O)c2c(C)cccc2Cl)s1 ZINC000571624608 430641059 /nfs/dbraw/zinc/64/10/59/430641059.db2.gz IOKMDRDRNOUEGA-UHFFFAOYSA-N -1 3 316.835 2.892 20 0 DFADHM CCC(CC)c1nnc([N-]C(=O)c2cc3ncccn3n2)s1 ZINC000643918165 430641857 /nfs/dbraw/zinc/64/18/57/430641857.db2.gz FJYJGCBEQSJXKF-UHFFFAOYSA-N -1 3 316.390 2.737 20 0 DFADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@H](COC(F)F)C1 ZINC000571658827 430644158 /nfs/dbraw/zinc/64/41/58/430644158.db2.gz UBDBIJAELQHNSK-VIFPVBQESA-N -1 3 305.346 2.816 20 0 DFADHM CCc1cc(C(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)ccc1[O-] ZINC000644007053 430649269 /nfs/dbraw/zinc/64/92/69/430649269.db2.gz UZHBUTGMBKPSIL-RNCFNFMXSA-N -1 3 317.307 2.746 20 0 DFADHM CCO[C@@H]1C[C@@H](N[C@@H](C)c2nc(C)cc(=O)[n-]2)C12CCCC2 ZINC000572108671 430671289 /nfs/dbraw/zinc/67/12/89/430671289.db2.gz RRGKKBPKQPQZCO-BFHYXJOUSA-N -1 3 305.422 2.879 20 0 DFADHM Cc1c(NC(=O)c2cc(C(F)F)[n-]n2)n[nH]c1C(F)(F)F ZINC000639569885 430673893 /nfs/dbraw/zinc/67/38/93/430673893.db2.gz LFSBTYUQBNWZBS-UHFFFAOYSA-N -1 3 309.198 2.650 20 0 DFADHM CN(CCN1CCCC1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000572255606 430678057 /nfs/dbraw/zinc/67/80/57/430678057.db2.gz PFBCINREGDQPAO-UHFFFAOYSA-N -1 3 316.323 2.579 20 0 DFADHM C[C@H](CC(=O)[O-])N(C)Cc1cc(F)cc(Br)c1 ZINC000572258381 430679176 /nfs/dbraw/zinc/67/91/76/430679176.db2.gz OWYXOCNXXGSADC-MRVPVSSYSA-N -1 3 304.159 2.883 20 0 DFADHM O=c1[n-]nc(SC[C@@H]2CCCC2(F)F)n1C[C@H]1CCCO1 ZINC000556235123 430682090 /nfs/dbraw/zinc/68/20/90/430682090.db2.gz FUDUCCCIZZGEKY-VHSXEESVSA-N -1 3 319.377 2.690 20 0 DFADHM COc1cccc2c(N3CCc4nc[n-]c(=O)c4C3)cc(C)nc12 ZINC000357686202 278024860 /nfs/dbraw/zinc/02/48/60/278024860.db2.gz DJCOPIYUXLEQMB-UHFFFAOYSA-N -1 3 322.368 2.610 20 0 DFADHM O=S(=O)([N-]CC1=CCOCC1)c1ccc2ccccc2c1F ZINC000572473348 430688035 /nfs/dbraw/zinc/68/80/35/430688035.db2.gz KSGRZMNYBJQCNN-UHFFFAOYSA-N -1 3 321.373 2.604 20 0 DFADHM C[C@@H]1CCN(Cc2conc2Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000572483229 430688611 /nfs/dbraw/zinc/68/86/11/430688611.db2.gz VHHIMNQTEXPGLC-CZUORRHYSA-N -1 3 314.385 2.808 20 0 DFADHM CSc1nnc(NC(=O)c2ccc3c(c2)CCCCC3=O)[n-]1 ZINC000290417796 278181232 /nfs/dbraw/zinc/18/12/32/278181232.db2.gz MXNQCUWWGVTPMO-UHFFFAOYSA-N -1 3 316.386 2.688 20 0 DFADHM CSc1n[n-]c(NC(=O)c2ccc3c(c2)CCCCC3=O)n1 ZINC000290417796 278181233 /nfs/dbraw/zinc/18/12/33/278181233.db2.gz MXNQCUWWGVTPMO-UHFFFAOYSA-N -1 3 316.386 2.688 20 0 DFADHM CSc1nc(NC(=O)c2ccc3c(c2)CCCCC3=O)n[n-]1 ZINC000290417796 278181234 /nfs/dbraw/zinc/18/12/34/278181234.db2.gz MXNQCUWWGVTPMO-UHFFFAOYSA-N -1 3 316.386 2.688 20 0 DFADHM CSc1nnc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)[n-]1 ZINC000299534356 278181306 /nfs/dbraw/zinc/18/13/06/278181306.db2.gz NUHYDPFKGWNGFY-SSDOTTSWSA-N -1 3 308.432 2.965 20 0 DFADHM CSc1n[n-]c(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)n1 ZINC000299534356 278181310 /nfs/dbraw/zinc/18/13/10/278181310.db2.gz NUHYDPFKGWNGFY-SSDOTTSWSA-N -1 3 308.432 2.965 20 0 DFADHM CSc1nc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)n[n-]1 ZINC000299534356 278181313 /nfs/dbraw/zinc/18/13/13/278181313.db2.gz NUHYDPFKGWNGFY-SSDOTTSWSA-N -1 3 308.432 2.965 20 0 DFADHM CSc1nnc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)[n-]1 ZINC000299534357 278181327 /nfs/dbraw/zinc/18/13/27/278181327.db2.gz NUHYDPFKGWNGFY-ZETCQYMHSA-N -1 3 308.432 2.965 20 0 DFADHM CSc1n[n-]c(NC(=O)c2cc3c(s2)CC[C@H](C)C3)n1 ZINC000299534357 278181330 /nfs/dbraw/zinc/18/13/30/278181330.db2.gz NUHYDPFKGWNGFY-ZETCQYMHSA-N -1 3 308.432 2.965 20 0 DFADHM CSc1nc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)n[n-]1 ZINC000299534357 278181333 /nfs/dbraw/zinc/18/13/33/278181333.db2.gz NUHYDPFKGWNGFY-ZETCQYMHSA-N -1 3 308.432 2.965 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@H](c2cccnc2)C1 ZINC000572647114 430693409 /nfs/dbraw/zinc/69/34/09/430693409.db2.gz AQFOIXDXOCYRPS-CQSZACIVSA-N -1 3 316.788 2.999 20 0 DFADHM [O-]c1cccnc1CN1CCC(CO)(Cc2ccccc2)CC1 ZINC000572683099 430694461 /nfs/dbraw/zinc/69/44/61/430694461.db2.gz HAPLEGLVOCQPCR-UHFFFAOYSA-N -1 3 312.413 2.604 20 0 DFADHM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1c[n-]nc1-c1ccccc1 ZINC000556947119 430696405 /nfs/dbraw/zinc/69/64/05/430696405.db2.gz LIWMMWWFUYNNJI-UHFFFAOYSA-N -1 3 319.324 2.911 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCC1(F)F ZINC000644263757 430713280 /nfs/dbraw/zinc/71/32/80/430713280.db2.gz FTHVOQZBUNGUKW-VIFPVBQESA-N -1 3 313.348 2.706 20 0 DFADHM CCCn1c(=O)[n-]nc1SCc1cc(OC(C)C)ccn1 ZINC000651181141 430726767 /nfs/dbraw/zinc/72/67/67/430726767.db2.gz ZPMWAIAUZQUETM-UHFFFAOYSA-N -1 3 308.407 2.868 20 0 DFADHM CCCn1c(=O)[n-]nc1SCCCc1nc2ccccc2[nH]1 ZINC000651180941 430727001 /nfs/dbraw/zinc/72/70/01/430727001.db2.gz PWOBQTXASQPCRM-UHFFFAOYSA-N -1 3 317.418 2.995 20 0 DFADHM CC[C@@H](OCCn1cc(Cl)c(=O)[n-]c1=O)c1ccccc1 ZINC000651190926 430732966 /nfs/dbraw/zinc/73/29/66/430732966.db2.gz FEXVVTOGLZFKLN-CYBMUJFWSA-N -1 3 308.765 2.770 20 0 DFADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@H](CC(=O)[O-])CC1 ZINC000648422634 430783116 /nfs/dbraw/zinc/78/31/16/430783116.db2.gz XPXGNHDFOQHNRM-PMPSAXMXSA-N -1 3 324.465 2.600 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@@H]2c2ccc(F)cc2)on1 ZINC000661510831 430743413 /nfs/dbraw/zinc/74/34/13/430743413.db2.gz JIHIBBGRYPWEFZ-BXUZGUMPSA-N -1 3 303.337 2.896 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](O)C(F)(F)F)c([O-])c1 ZINC000644752426 430812003 /nfs/dbraw/zinc/81/20/03/430812003.db2.gz LSYFVWCFINJMEY-UFBFGSQYSA-N -1 3 305.296 2.557 20 0 DFADHM C[C@H]1C[C@H](NC(=O)c2cccc(C(F)(F)F)c2[O-])CCN1C ZINC000654830037 430822515 /nfs/dbraw/zinc/82/25/15/430822515.db2.gz JDYIVDZNKVYXMJ-VHSXEESVSA-N -1 3 316.323 2.624 20 0 DFADHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651600598 430828908 /nfs/dbraw/zinc/82/89/08/430828908.db2.gz CRVFJUQXABYZOA-NXEZZACHSA-N -1 3 321.801 2.573 20 0 DFADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651629238 430835071 /nfs/dbraw/zinc/83/50/71/430835071.db2.gz OGBFMVVPZTUDFE-SECBINFHSA-N -1 3 323.817 2.555 20 0 DFADHM Cc1occc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433525 430784309 /nfs/dbraw/zinc/78/43/09/430784309.db2.gz CFCLCOMQOARXAY-UHFFFAOYSA-N -1 3 307.659 2.674 20 0 DFADHM C[C@]1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C[C@H]2C[C@H]2C1 ZINC000648430845 430785099 /nfs/dbraw/zinc/78/50/99/430785099.db2.gz AEMBPJGHTXGBTI-JDICNCQASA-N -1 3 321.730 2.895 20 0 DFADHM Cn1cc(Br)c(=NC(=O)[C@@H]2CC23CCCCC3)[n-]1 ZINC000648439488 430787111 /nfs/dbraw/zinc/78/71/11/430787111.db2.gz QASXIBSXLLRZEI-VIFPVBQESA-N -1 3 312.211 2.513 20 0 DFADHM CCO[C@@H](CC)c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000665041606 430808901 /nfs/dbraw/zinc/80/89/01/430808901.db2.gz WLNDJPUGBUUPOA-JTQLQIEISA-N -1 3 308.334 2.947 20 0 DFADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)C1CC1 ZINC000651503195 430809781 /nfs/dbraw/zinc/80/97/81/430809781.db2.gz PYOMFGBWOBQAMU-ZETCQYMHSA-N -1 3 324.265 2.896 20 0 DFADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC(C)C ZINC000651498095 430810940 /nfs/dbraw/zinc/81/09/40/430810940.db2.gz MRUCPULIKINZDO-UHFFFAOYSA-N -1 3 312.254 2.753 20 0 DFADHM CN1CCN(Cc2ccccc2-c2ccc3occ([O-])c3c2)CC1 ZINC000665190967 430852410 /nfs/dbraw/zinc/85/24/10/430852410.db2.gz XTHXBZIRNDBMNS-UHFFFAOYSA-N -1 3 322.408 2.676 20 0 DFADHM CCOCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651717622 430858507 /nfs/dbraw/zinc/85/85/07/430858507.db2.gz MDRIAHSDDXNULJ-UHFFFAOYSA-N -1 3 309.790 2.573 20 0 DFADHM O=S(=O)([N-][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(Cl)c(F)c1 ZINC000651738835 430863440 /nfs/dbraw/zinc/86/34/40/430863440.db2.gz ZZICTTPVWUIJEO-DVYJOKAKSA-N -1 3 303.786 2.946 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]([C@H]3CCCCO3)C2)n1 ZINC000661878370 430878295 /nfs/dbraw/zinc/87/82/95/430878295.db2.gz NGDKEURSTRACFK-UKRRQHHQSA-N -1 3 305.422 2.526 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000661904496 430888059 /nfs/dbraw/zinc/88/80/59/430888059.db2.gz AHJBNZKTLALPNF-WCQYABFASA-N -1 3 317.776 2.796 20 0 DFADHM CCC[C@H](C)S(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000651639607 430838252 /nfs/dbraw/zinc/83/82/52/430838252.db2.gz HQNJSYFPNATGOJ-KWQFWETISA-N -1 3 305.346 2.506 20 0 DFADHM CO[C@H](C)C[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651663603 430843225 /nfs/dbraw/zinc/84/32/25/430843225.db2.gz PZIIHFOXSMWGAR-ZCFIWIBFSA-N -1 3 318.247 2.509 20 0 DFADHM CCOc1nc2cc(C(=O)NC3(C(F)(F)F)CC3)ccc2[n-]1 ZINC000655093704 430893722 /nfs/dbraw/zinc/89/37/22/430893722.db2.gz ROLYCPYOPGGDEX-UHFFFAOYSA-N -1 3 313.279 2.786 20 0 DFADHM CCOc1nc2ccc(C(=O)NC3(C(F)(F)F)CC3)cc2[n-]1 ZINC000655093704 430893728 /nfs/dbraw/zinc/89/37/28/430893728.db2.gz ROLYCPYOPGGDEX-UHFFFAOYSA-N -1 3 313.279 2.786 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1(C(F)(F)F)CC1 ZINC000655095081 430894778 /nfs/dbraw/zinc/89/47/78/430894778.db2.gz QOAKFUTTYYFBIS-UHFFFAOYSA-N -1 3 317.311 2.613 20 0 DFADHM CN(C(=O)C(=O)[N-]c1cnns1)C1CC(C)(C)CC(C)(C)C1 ZINC000658503075 430895280 /nfs/dbraw/zinc/89/52/80/430895280.db2.gz ASBXODCTJRTGCP-UHFFFAOYSA-N -1 3 324.450 2.540 20 0 DFADHM COc1ccc(NC(=O)C2CCC(C(C)(C)O)CC2)c([O-])c1 ZINC000651854465 430897144 /nfs/dbraw/zinc/89/71/44/430897144.db2.gz GEHJLXGUGSNPEF-UHFFFAOYSA-N -1 3 307.390 2.917 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C12CCC2 ZINC000665322235 430897299 /nfs/dbraw/zinc/89/72/99/430897299.db2.gz IBZOIPUEZMWUPU-HOTGVXAUSA-N -1 3 317.385 2.672 20 0 DFADHM CCn1c(CNC[C@@H](C(=O)[O-])C2CCC2)nc2ccccc21 ZINC000665361237 430910317 /nfs/dbraw/zinc/91/03/17/430910317.db2.gz LYUGGQRMFDNDTE-CYBMUJFWSA-N -1 3 301.390 2.647 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CC[C@H](c2ccccc2)O1)c1cccs1 ZINC000651902408 430910345 /nfs/dbraw/zinc/91/03/45/430910345.db2.gz KCHNVGYBVBHMRE-UONOGXRCSA-N -1 3 323.439 2.947 20 0 DFADHM O=C([O-])[C@@H](CNCc1coc(-c2ccccc2)n1)C1CCC1 ZINC000665361969 430910907 /nfs/dbraw/zinc/91/09/07/430910907.db2.gz XEKSVYUTTJASKL-HNNXBMFYSA-N -1 3 300.358 2.932 20 0 DFADHM Cc1ccccc1C1(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000655156997 430915687 /nfs/dbraw/zinc/91/56/87/430915687.db2.gz UHLPHGWZALKYCN-UHFFFAOYSA-N -1 3 309.369 2.787 20 0 DFADHM [O-]c1cccc(CN[C@H]2CCN(CC(F)(F)F)C2)c1Cl ZINC000645151810 430916719 /nfs/dbraw/zinc/91/67/19/430916719.db2.gz MBSIMOAZAGBQBM-JTQLQIEISA-N -1 3 308.731 2.772 20 0 DFADHM CC(C)[C@@H]1N(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC12CC=CC2 ZINC000655160333 430917914 /nfs/dbraw/zinc/91/79/14/430917914.db2.gz XJOZSOTWQVJNHM-HNNXBMFYSA-N -1 3 313.401 2.876 20 0 DFADHM COc1ccc2c(c1)N([C@@H](C)C(=O)[N-]c1cc(C)no1)CCC2 ZINC000661998153 430917859 /nfs/dbraw/zinc/91/78/59/430917859.db2.gz CKKQEGQFNULZLZ-LBPRGKRZSA-N -1 3 315.373 2.771 20 0 DFADHM C[C@H](CN=c1nc(-c2cc(F)cc(F)c2)[n-]s1)N(C)C1CC1 ZINC000645155384 430918072 /nfs/dbraw/zinc/91/80/72/430918072.db2.gz DGRGOXVHDGIWAR-SECBINFHSA-N -1 3 324.400 2.800 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC[C@H]3OCC[C@H]32)c([O-])c1 ZINC000376449828 278716932 /nfs/dbraw/zinc/71/69/32/278716932.db2.gz RONPWWUJPBJWGD-NVXWUHKLSA-N -1 3 319.401 2.965 20 0 DFADHM Cc1cccc(C(=O)N[C@H](C(C)C)C2(CO)CC=CC2)c1[O-] ZINC000655174026 430922354 /nfs/dbraw/zinc/92/23/54/430922354.db2.gz TVYMEKQSWCBFLO-MRXNPFEDSA-N -1 3 303.402 2.784 20 0 DFADHM CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cccc([O-])c3Cl)[C@@H]2C1 ZINC000645181857 430927487 /nfs/dbraw/zinc/92/74/87/430927487.db2.gz WMWRYJOBBMBCJN-RRFJBIMHSA-N -1 3 322.836 2.782 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCC[C@@H](OCC)C3)ccc2[n-]1 ZINC000648897446 430930209 /nfs/dbraw/zinc/93/02/09/430930209.db2.gz FBCDTNGQZWRVEP-CYBMUJFWSA-N -1 3 317.389 2.603 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCC[C@@H](OCC)C3)cc2[n-]1 ZINC000648897446 430930213 /nfs/dbraw/zinc/93/02/13/430930213.db2.gz FBCDTNGQZWRVEP-CYBMUJFWSA-N -1 3 317.389 2.603 20 0 DFADHM C[C@@H](O)C(=O)Nc1cc(Br)cc(C(C)(C)C)c1[O-] ZINC000655204899 430930663 /nfs/dbraw/zinc/93/06/63/430930663.db2.gz SDGFGITZHCCWQC-SSDOTTSWSA-N -1 3 316.195 2.772 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)O1 ZINC000648905622 430933020 /nfs/dbraw/zinc/93/30/20/430933020.db2.gz MDTAWFUFKNPXTI-NOZJJQNGSA-N -1 3 305.765 2.658 20 0 DFADHM CCC(C)(C)N1CCN(C(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000655271400 430943773 /nfs/dbraw/zinc/94/37/73/430943773.db2.gz GEGGTCSVWCESDB-UHFFFAOYSA-N -1 3 304.434 2.955 20 0 DFADHM CO[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000662069364 430945339 /nfs/dbraw/zinc/94/53/39/430945339.db2.gz QVQCTMODYLCPJM-MRXNPFEDSA-N -1 3 324.396 2.926 20 0 DFADHM CC(C)[C@@H]1N(C(=O)c2cc(F)cc3[n-]nnc32)CC12CC=CC2 ZINC000649139137 431011270 /nfs/dbraw/zinc/01/12/70/431011270.db2.gz VNLDVNNFKDXZDN-HNNXBMFYSA-N -1 3 314.364 2.914 20 0 DFADHM CC(C)[C@@H]1N(C(=O)c2cc(F)cc3nn[n-]c32)CC12CC=CC2 ZINC000649139137 431011274 /nfs/dbraw/zinc/01/12/74/431011274.db2.gz VNLDVNNFKDXZDN-HNNXBMFYSA-N -1 3 314.364 2.914 20 0 DFADHM CC(C)[C@@H]1N(C(=O)c2cc(F)cc3n[n-]nc32)CC12CC=CC2 ZINC000649139137 431011278 /nfs/dbraw/zinc/01/12/78/431011278.db2.gz VNLDVNNFKDXZDN-HNNXBMFYSA-N -1 3 314.364 2.914 20 0 DFADHM O=C(Cc1cncc([O-])c1)N(CCC(F)(F)F)CC1CC1 ZINC000655392112 430989947 /nfs/dbraw/zinc/98/99/47/430989947.db2.gz FTZNZIBLSFVYFE-UHFFFAOYSA-N -1 3 302.296 2.521 20 0 DFADHM C[C@@]1(c2cccc(F)c2)CCN(C(=O)Cc2cncc([O-])c2)C1 ZINC000655407740 430994485 /nfs/dbraw/zinc/99/44/85/430994485.db2.gz PJEWCYOPIKMRTL-GOSISDBHSA-N -1 3 314.360 2.659 20 0 DFADHM CC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CCCCO1 ZINC000655411833 430997335 /nfs/dbraw/zinc/99/73/35/430997335.db2.gz NRVSHWTZVJQSAH-ZBFHGGJFSA-N -1 3 314.385 2.606 20 0 DFADHM O=C([O-])[C@]12COC[C@H]1CN(Cc1ccc(Cl)cc1Cl)C2 ZINC000662219684 431002499 /nfs/dbraw/zinc/00/24/99/431002499.db2.gz GPWATZLFXVWION-QMTHXVAHSA-N -1 3 316.184 2.526 20 0 DFADHM Cc1cccc2cc(S(=O)(=O)[N-]CCN3CCCC3)sc21 ZINC000645443520 431003426 /nfs/dbraw/zinc/00/34/26/431003426.db2.gz XXEYZDRFLYLNGM-UHFFFAOYSA-N -1 3 324.471 2.584 20 0 DFADHM C[C@H](C(=O)N(C)C1CCCCC1)N1CCC(CCC(=O)[O-])CC1 ZINC000662218060 431003745 /nfs/dbraw/zinc/00/37/45/431003745.db2.gz UQFQAIZSWHGQRY-CQSZACIVSA-N -1 3 324.465 2.743 20 0 DFADHM CCc1ccc(C(=O)N2CC3(C[C@@H]2C)CCOCC3)c([O-])c1 ZINC000649126874 431006539 /nfs/dbraw/zinc/00/65/39/431006539.db2.gz OQANRLQMKXTGDQ-ZDUSSCGKSA-N -1 3 303.402 2.986 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000291455667 278835578 /nfs/dbraw/zinc/83/55/78/278835578.db2.gz ONNJDJIDHBSTHE-HZPDHXFCSA-N -1 3 301.386 2.874 20 0 DFADHM CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCCCO1 ZINC000655343784 430969074 /nfs/dbraw/zinc/96/90/74/430969074.db2.gz BXZMAFBTYCBYSS-GUYCJALGSA-N -1 3 314.385 2.606 20 0 DFADHM COc1cccc(S(=O)(=O)[N-]CC2(C)CCCC2)c1F ZINC000655503163 431033247 /nfs/dbraw/zinc/03/32/47/431033247.db2.gz LVGOKIKERKBMFO-UHFFFAOYSA-N -1 3 301.383 2.693 20 0 DFADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N=c1[nH][n-]cc1Br ZINC000649223502 431033836 /nfs/dbraw/zinc/03/38/36/431033836.db2.gz UZUDEEYRVVLOHS-JGVFFNPUSA-N -1 3 300.200 2.605 20 0 DFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000649230378 431035694 /nfs/dbraw/zinc/03/56/94/431035694.db2.gz HMEMUUZPKBOLKV-JTQLQIEISA-N -1 3 320.418 2.824 20 0 DFADHM COc1ccc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)cc1OC ZINC000649233853 431037704 /nfs/dbraw/zinc/03/77/04/431037704.db2.gz HMOZUXAWLGNWHN-UHFFFAOYSA-N -1 3 303.362 2.533 20 0 DFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(OC(C)C)nc1 ZINC000649232990 431037992 /nfs/dbraw/zinc/03/79/92/431037992.db2.gz YZKJWTGSPYAHKD-UHFFFAOYSA-N -1 3 302.378 2.698 20 0 DFADHM COc1cc(OC)cc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)c1 ZINC000649233782 431038586 /nfs/dbraw/zinc/03/85/86/431038586.db2.gz DAZHCCHUDKBUAT-UHFFFAOYSA-N -1 3 303.362 2.533 20 0 DFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)Oc1ccccc1F ZINC000649232855 431038738 /nfs/dbraw/zinc/03/87/38/431038738.db2.gz RYFKAFYZGINXTB-NSHDSACASA-N -1 3 305.353 2.809 20 0 DFADHM Cc1cc([C@H](C)N2CCC[C@H](c3nc(C)no3)C2)oc1C(=O)[O-] ZINC000652399562 431041178 /nfs/dbraw/zinc/04/11/78/431041178.db2.gz RPUWXGCIAGLQQD-JQWIXIFHSA-N -1 3 319.361 2.918 20 0 DFADHM Cc1cccc2cc(S(=O)(=O)[N-][C@H](C)C[C@@H](C)O)sc21 ZINC000645647486 431041640 /nfs/dbraw/zinc/04/16/40/431041640.db2.gz QGWZJBMDNMRWSE-GHMZBOCLSA-N -1 3 313.444 2.647 20 0 DFADHM CC(=O)c1[n-]c(=NC2CCN(C(=O)C(C)(C)C)CC2)sc1C ZINC000649243547 431042867 /nfs/dbraw/zinc/04/28/67/431042867.db2.gz OKTLHOKWTXDSEO-UHFFFAOYSA-N -1 3 323.462 2.525 20 0 DFADHM O=C([O-])c1cccnc1CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000652415793 431045260 /nfs/dbraw/zinc/04/52/60/431045260.db2.gz IOXIMYBUBXIKPS-AWEZNQCLSA-N -1 3 314.360 2.984 20 0 DFADHM COc1cccc(S(=O)(=O)[N-][C@H](C)CCC2CC2)c1F ZINC000655557416 431046399 /nfs/dbraw/zinc/04/63/99/431046399.db2.gz ZIAJRKUSMFHBIN-SNVBAGLBSA-N -1 3 301.383 2.691 20 0 DFADHM O=C([O-])[C@H](C1CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000652421517 431046712 /nfs/dbraw/zinc/04/67/12/431046712.db2.gz ZZXKBADIEYPIPW-ZETCQYMHSA-N -1 3 305.218 2.666 20 0 DFADHM CSc1ccc([O-])c(C(=O)NCCc2csc(C)n2)c1 ZINC000665840351 431048177 /nfs/dbraw/zinc/04/81/77/431048177.db2.gz HPXAWXCNKCXBSA-UHFFFAOYSA-N -1 3 308.428 2.852 20 0 DFADHM COCC1(C)CCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC000652432415 431050733 /nfs/dbraw/zinc/05/07/33/431050733.db2.gz AWHBRZZQAXBYLL-UHFFFAOYSA-N -1 3 307.390 2.512 20 0 DFADHM CC[C@@H](C[N-]S(=O)(=O)c1cc2cccc(C)c2s1)OC ZINC000645718848 431054978 /nfs/dbraw/zinc/05/49/78/431054978.db2.gz KQEOVJKTISBMLP-LBPRGKRZSA-N -1 3 313.444 2.913 20 0 DFADHM C[C@H]1CC2(CN1Cc1ccc(C(=O)[O-])cc1F)CCOCC2 ZINC000652449604 431055532 /nfs/dbraw/zinc/05/55/32/431055532.db2.gz GIPJDRCEIPJLOF-LBPRGKRZSA-N -1 3 307.365 2.915 20 0 DFADHM Cc1ccccc1-c1noc(CN(CCC(=O)[O-])CC(C)C)n1 ZINC000652460430 431059257 /nfs/dbraw/zinc/05/92/57/431059257.db2.gz PTMATZANKQTYGZ-UHFFFAOYSA-N -1 3 317.389 2.978 20 0 DFADHM COCCS(=O)(=O)[N-]c1ccc(OCCC(C)C)c(F)c1 ZINC000655598977 431060069 /nfs/dbraw/zinc/06/00/69/431060069.db2.gz OTIGFULRBBUFMJ-UHFFFAOYSA-N -1 3 319.398 2.639 20 0 DFADHM CCC1([N-]S(=O)(=O)c2cccc(OC)c2F)CCCC1 ZINC000655603434 431060143 /nfs/dbraw/zinc/06/01/43/431060143.db2.gz XDXGYGPUAXJNDH-UHFFFAOYSA-N -1 3 301.383 2.835 20 0 DFADHM CCC1([N-]S(=O)(=O)c2cc(F)ccc2OC)CCCC1 ZINC000645743643 431060945 /nfs/dbraw/zinc/06/09/45/431060945.db2.gz KLADOQQBBBYROY-UHFFFAOYSA-N -1 3 301.383 2.835 20 0 DFADHM COc1cccc(S(=O)(=O)[N-]CC2CCC(F)CC2)c1F ZINC000655608776 431061153 /nfs/dbraw/zinc/06/11/53/431061153.db2.gz PAJWHPKRQXSRAK-UHFFFAOYSA-N -1 3 319.373 2.641 20 0 DFADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ncccc1C(F)(F)F ZINC000652491016 431067239 /nfs/dbraw/zinc/06/72/39/431067239.db2.gz OHXBLMTYPZZKDH-CWSCBRNRSA-N -1 3 314.307 2.786 20 0 DFADHM O=C([O-])c1cccc2c1CN(C[C@@H](O)C1CCCCC1)CC2 ZINC000652487818 431067599 /nfs/dbraw/zinc/06/75/99/431067599.db2.gz TUHUQFLPVOEWTD-QGZVFWFLSA-N -1 3 303.402 2.684 20 0 DFADHM C[C@@H]1CN(CCOc2ccc(F)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000652496989 431070587 /nfs/dbraw/zinc/07/05/87/431070587.db2.gz IBEWNKNVRALIKU-PWSUYJOCSA-N -1 3 315.772 2.901 20 0 DFADHM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2cscn2)c1 ZINC000645497174 431018268 /nfs/dbraw/zinc/01/82/68/431018268.db2.gz LFODGTCSJQQEGA-SNVBAGLBSA-N -1 3 312.416 2.581 20 0 DFADHM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CC[C@@H]2COC[C@@H]2C1 ZINC000659800788 431120790 /nfs/dbraw/zinc/12/07/90/431120790.db2.gz BGUUGLQUGJMBBP-BFVZDQMLSA-N -1 3 313.756 2.573 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@@H]1CCCCO1 ZINC000655665018 431073758 /nfs/dbraw/zinc/07/37/58/431073758.db2.gz CQVHQEWQVLCUAP-KGLIPLIRSA-N -1 3 319.373 2.591 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCCCO1 ZINC000655664421 431073773 /nfs/dbraw/zinc/07/37/73/431073773.db2.gz ARXBAOFFXSJHMH-OLZOCXBDSA-N -1 3 319.373 2.591 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C1CCC(F)(F)CC1 ZINC000655664298 431073836 /nfs/dbraw/zinc/07/38/36/431073836.db2.gz SZMXHEHPACZFPG-MRVPVSSYSA-N -1 3 322.377 2.784 20 0 DFADHM CC(C)n1ccc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC000652506279 431074420 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CC(C)[C@@H](O)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436512939 297007976 /nfs/dbraw/zinc/00/79/76/297007976.db2.gz LLYYCWAUZXSYPN-KRWDZBQOSA-N -1 3 315.369 2.931 20 0 DFADHM COc1cccc(C(=O)N[C@H](C)c2ccccc2OC)c1[O-] ZINC000436523403 297008695 /nfs/dbraw/zinc/00/86/95/297008695.db2.gz AZWLCIKQQHMMCJ-LLVKDONJSA-N -1 3 301.342 2.900 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c([O-])c1 ZINC000436527762 297009451 /nfs/dbraw/zinc/00/94/51/297009451.db2.gz JBCCYVZBNVEFID-MRXNPFEDSA-N -1 3 304.434 2.928 20 0 DFADHM COc1ccc(C(=O)N2CCC=C(c3ccncc3)C2)c([O-])c1 ZINC000436537393 297010098 /nfs/dbraw/zinc/01/00/98/297010098.db2.gz QXJYXNZWBAGDSP-UHFFFAOYSA-N -1 3 310.353 2.725 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc(C[S@@](C)=O)c2)c([O-])c1 ZINC000436547204 297011478 /nfs/dbraw/zinc/01/14/78/297011478.db2.gz RLAHEQSAZTYXJW-OAQYLSRUSA-N -1 3 303.383 2.831 20 0 DFADHM COc1ccc(C(=O)NC2(c3ccc(F)cc3)CC2)c([O-])c1 ZINC000436569450 297013111 /nfs/dbraw/zinc/01/31/11/297013111.db2.gz DSIGSKBWYNDDNL-UHFFFAOYSA-N -1 3 301.317 2.959 20 0 DFADHM C[C@H](CNC(=O)c1cc2c(cc1[O-])CCCC2)Cn1cccn1 ZINC000436564795 297013237 /nfs/dbraw/zinc/01/32/37/297013237.db2.gz SYLJFJCVXRXKRC-CYBMUJFWSA-N -1 3 313.401 2.534 20 0 DFADHM CC(C)c1ccc(C(=O)NCCC(=O)OC(C)(C)C)c([O-])c1 ZINC000436566924 297013330 /nfs/dbraw/zinc/01/33/30/297013330.db2.gz YWFFPVXKDYSKQM-UHFFFAOYSA-N -1 3 307.390 2.977 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2cc(CC)ccc2[O-])cn1C ZINC000436572701 297013575 /nfs/dbraw/zinc/01/35/75/297013575.db2.gz GASODLLTOVZHIS-UHFFFAOYSA-N -1 3 316.357 2.722 20 0 DFADHM Cc1nc[nH]c1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436570875 297013726 /nfs/dbraw/zinc/01/37/26/297013726.db2.gz BHJIHPPNYJHELJ-UHFFFAOYSA-N -1 3 321.380 2.945 20 0 DFADHM CCCCOC1CCN(C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000436578714 297014076 /nfs/dbraw/zinc/01/40/76/297014076.db2.gz XRWBWIIMVDEMRQ-UHFFFAOYSA-N -1 3 307.390 2.822 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)CC(=O)c2ccco2)c([O-])c1C ZINC000436586461 297015245 /nfs/dbraw/zinc/01/52/45/297015245.db2.gz MDNOWKKMXLCXTF-NSHDSACASA-N -1 3 301.342 2.993 20 0 DFADHM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436587864 297015812 /nfs/dbraw/zinc/01/58/12/297015812.db2.gz GJCPIYOZAXIISS-WCQYABFASA-N -1 3 319.401 2.745 20 0 DFADHM O=C(N[C@@H]1CCCC[C@H]1CO)c1cc2c(cc1[O-])CCCC2 ZINC000436595675 297016559 /nfs/dbraw/zinc/01/65/59/297016559.db2.gz JFCZRIYOSXFOIT-GOEBONIOSA-N -1 3 303.402 2.552 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCc2c(F)cccc2F)cc1[O-] ZINC000436598394 297016596 /nfs/dbraw/zinc/01/65/96/297016596.db2.gz YYHODNWATUARRA-UHFFFAOYSA-N -1 3 319.307 2.846 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c([O-])c1 ZINC000436597981 297016840 /nfs/dbraw/zinc/01/68/40/297016840.db2.gz XNILUKFOXDBJEA-MSOLQXFVSA-N -1 3 311.381 2.904 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@@H](CO)Cc2ccccc2)c([O-])c1 ZINC000436601197 297017428 /nfs/dbraw/zinc/01/74/28/297017428.db2.gz BXESWBLGVKZGDG-MRXNPFEDSA-N -1 3 313.397 2.849 20 0 DFADHM CCCN(CCN1CCCC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436622789 297018567 /nfs/dbraw/zinc/01/85/67/297018567.db2.gz XXIHFZWXTSRVOR-UHFFFAOYSA-N -1 3 310.825 2.994 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2nnc(C(F)F)s2)cc1[O-] ZINC000436619754 297018790 /nfs/dbraw/zinc/01/87/90/297018790.db2.gz XTAHZRCOTHIOEE-UHFFFAOYSA-N -1 3 313.285 2.636 20 0 DFADHM Cc1ccc(C(=O)NCCNC(=O)CC2CCCCC2)c([O-])c1 ZINC000436625468 297019213 /nfs/dbraw/zinc/01/92/13/297019213.db2.gz OVKUHVLHMQPETC-UHFFFAOYSA-N -1 3 318.417 2.517 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2nccn2CC(C)C)cc1[O-] ZINC000436627016 297019297 /nfs/dbraw/zinc/01/92/97/297019297.db2.gz UHQSWUKBOFPUQE-UHFFFAOYSA-N -1 3 301.346 2.700 20 0 DFADHM Cc1ccc([C@H](CNC(=O)c2ccccc2[O-])N2CCCC2)o1 ZINC000436628452 297019357 /nfs/dbraw/zinc/01/93/57/297019357.db2.gz QYXRQPLQVQMDSN-HNNXBMFYSA-N -1 3 314.385 2.861 20 0 DFADHM CO[C@@](C)(CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CC1 ZINC000436639784 297019942 /nfs/dbraw/zinc/01/99/42/297019942.db2.gz MOYQDBNTBHUGGQ-SFHVURJKSA-N -1 3 319.401 2.651 20 0 DFADHM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000436646364 297021100 /nfs/dbraw/zinc/02/11/00/297021100.db2.gz GUXJEFOPWZQZHK-AAEUAGOBSA-N -1 3 304.390 2.654 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H](C)Cc2c(C)noc2C)cc1[O-] ZINC000436649435 297021600 /nfs/dbraw/zinc/02/16/00/297021600.db2.gz SHRJLWOEMJSRLX-VIFPVBQESA-N -1 3 316.357 2.561 20 0 DFADHM COc1cccc(C(=O)NCc2c(F)cc(F)cc2F)c1[O-] ZINC000436651304 297021681 /nfs/dbraw/zinc/02/16/81/297021681.db2.gz DRJDSMFPZRWKOJ-UHFFFAOYSA-N -1 3 311.259 2.748 20 0 DFADHM COc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cn1 ZINC000436657450 297022168 /nfs/dbraw/zinc/02/21/68/297022168.db2.gz QIKHVVFYAJZUPT-UHFFFAOYSA-N -1 3 300.358 2.849 20 0 DFADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000436662841 297022403 /nfs/dbraw/zinc/02/24/03/297022403.db2.gz DGNHSSOYYJRBDE-GOEBONIOSA-N -1 3 310.397 2.958 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)NCC2CCCCC2)c([O-])c1 ZINC000436666716 297023326 /nfs/dbraw/zinc/02/33/26/297023326.db2.gz RKBYNXPSXSCJAN-UHFFFAOYSA-N -1 3 318.417 2.517 20 0 DFADHM Cc1ccc(-c2nc(CNC(=O)c3ccc(O)cc3[O-])co2)cc1 ZINC000436669202 297023390 /nfs/dbraw/zinc/02/33/90/297023390.db2.gz HZMBTJAUESKHAS-UHFFFAOYSA-N -1 3 324.336 2.991 20 0 DFADHM CCC(CC)(CCO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436674409 297024086 /nfs/dbraw/zinc/02/40/86/297024086.db2.gz RXWHGVQZUCCZOB-UHFFFAOYSA-N -1 3 321.417 2.777 20 0 DFADHM CC(C)c1ccc(C(=O)N2CC[C@@H](c3nccn3C)C2)c([O-])c1 ZINC000436674966 297024234 /nfs/dbraw/zinc/02/42/34/297024234.db2.gz SGJDBPGIOUCYMT-CQSZACIVSA-N -1 3 313.401 2.879 20 0 DFADHM COc1ccc(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)c([O-])c1 ZINC000436698445 297026072 /nfs/dbraw/zinc/02/60/72/297026072.db2.gz MNHNLGFUCMUARA-SNVBAGLBSA-N -1 3 311.341 2.768 20 0 DFADHM CCc1ccc(C(=O)NCCc2ccc3c[nH]nc3c2)c([O-])c1 ZINC000436706187 297026691 /nfs/dbraw/zinc/02/66/91/297026691.db2.gz LTAIFHFGFMZDAU-UHFFFAOYSA-N -1 3 309.369 2.803 20 0 DFADHM CCOC(=O)[C@@H](NC(=O)c1ccc([O-])c(CC)c1)[C@@H](C)CC ZINC000436708591 297026726 /nfs/dbraw/zinc/02/67/26/297026726.db2.gz YCJQJWFPEXSVLN-NHYWBVRUSA-N -1 3 307.390 2.662 20 0 DFADHM CCn1ccnc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000436707716 297026823 /nfs/dbraw/zinc/02/68/23/297026823.db2.gz PMLGROARZUTXCA-UHFFFAOYSA-N -1 3 315.251 2.760 20 0 DFADHM CC[C@](C)(CO)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436712064 297027351 /nfs/dbraw/zinc/02/73/51/297027351.db2.gz DQMZHXHXDFCUOT-LJQANCHMSA-N -1 3 313.397 2.874 20 0 DFADHM Cc1cc(CNC(=O)c2ccc3c(c2[O-])CCCC3)nc(C)n1 ZINC000436719090 297027779 /nfs/dbraw/zinc/02/77/79/297027779.db2.gz GVUTWYPNZKVUOB-UHFFFAOYSA-N -1 3 311.385 2.608 20 0 DFADHM CN(C)[C@@H](CNC(=O)c1ccccc1[O-])c1c(F)cccc1F ZINC000436719819 297027918 /nfs/dbraw/zinc/02/79/18/297027918.db2.gz QINFOVUKKBYUCZ-AWEZNQCLSA-N -1 3 320.339 2.703 20 0 DFADHM CC[C@@](NC(=O)c1ccc(C(C)C)cc1[O-])(C(N)=O)C(C)C ZINC000436723026 297028506 /nfs/dbraw/zinc/02/85/06/297028506.db2.gz OZLGCGAQEMXOHH-KRWDZBQOSA-N -1 3 306.406 2.536 20 0 DFADHM CC(C)[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCN1C ZINC000436727701 297029010 /nfs/dbraw/zinc/02/90/10/297029010.db2.gz BPVLBNNEMLTHSK-QGZVFWFLSA-N -1 3 312.413 2.958 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c([O-])c1C ZINC000436734597 297029970 /nfs/dbraw/zinc/02/99/70/297029970.db2.gz BBSSMYRPKKXVHI-FVQBIDKESA-N -1 3 301.386 2.696 20 0 DFADHM Cc1cccc(C(=O)NC[C@@H](CO)c2ccccc2Cl)c1[O-] ZINC000436737217 297029974 /nfs/dbraw/zinc/02/99/74/297029974.db2.gz IVIXISYRLBDZJI-LBPRGKRZSA-N -1 3 319.788 2.860 20 0 DFADHM CCCCOc1ccc(C(=O)NCC2=CCCOC2)c([O-])c1 ZINC000436736850 297030119 /nfs/dbraw/zinc/03/01/19/297030119.db2.gz HQBYLIDHWHEPTJ-UHFFFAOYSA-N -1 3 305.374 2.648 20 0 DFADHM COc1ccnc(CNC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436734917 297030144 /nfs/dbraw/zinc/03/01/44/297030144.db2.gz FKJMPVSOSUOHAM-UHFFFAOYSA-N -1 3 312.369 2.605 20 0 DFADHM Cc1ccc(C(=O)N[C@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000436742209 297030552 /nfs/dbraw/zinc/03/05/52/297030552.db2.gz VRPJWBFPFLNHFS-CQSZACIVSA-N -1 3 305.761 2.817 20 0 DFADHM O=C(NCCN1CCCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436762719 297032292 /nfs/dbraw/zinc/03/22/92/297032292.db2.gz GIKBHQAIWTXYDL-UHFFFAOYSA-N -1 3 316.323 2.627 20 0 DFADHM C[C@@H]1[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCN1C ZINC000436770891 297033493 /nfs/dbraw/zinc/03/34/93/297033493.db2.gz VSMBANLTOMEHNL-NXEZZACHSA-N -1 3 316.323 2.576 20 0 DFADHM CCc1ccc(C(=O)N2CCOC[C@@H]2CC2CCC2)c([O-])c1 ZINC000436792333 297034153 /nfs/dbraw/zinc/03/41/53/297034153.db2.gz NKZXAVQQGLDGQW-HNNXBMFYSA-N -1 3 303.402 2.986 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@H]2C)c1 ZINC000436790860 297034234 /nfs/dbraw/zinc/03/42/34/297034234.db2.gz PWWFHPNENVKYJV-GFCCVEGCSA-N -1 3 324.380 2.938 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCC[C@@H]2C)c1 ZINC000436788172 297034464 /nfs/dbraw/zinc/03/44/64/297034464.db2.gz UUDZEWYQWUEEQA-AAEUAGOBSA-N -1 3 304.390 2.907 20 0 DFADHM CC1(C)Cc2ccc(C(=O)Nc3nc4cccnc4[nH]3)c([O-])c2O1 ZINC000436790258 297034504 /nfs/dbraw/zinc/03/45/04/297034504.db2.gz GLACBWOUJQBNGQ-UHFFFAOYSA-N -1 3 324.340 2.629 20 0 DFADHM O=C(NCC(F)(F)CO)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436805449 297035754 /nfs/dbraw/zinc/03/57/54/297035754.db2.gz DWJOZHQYPLMGOB-UHFFFAOYSA-N -1 3 323.295 2.542 20 0 DFADHM CCN(CCNC(=O)c1ccc([O-])cc1F)CCC(F)(F)F ZINC000436812036 297036090 /nfs/dbraw/zinc/03/60/90/297036090.db2.gz SDJRUROJWQFFQC-UHFFFAOYSA-N -1 3 322.302 2.535 20 0 DFADHM COCCN(C(=O)c1ccc(C)cc1[O-])[C@H]1CCCSC1 ZINC000436809697 297036298 /nfs/dbraw/zinc/03/62/98/297036298.db2.gz PKDSUEQJAYDNEE-ZDUSSCGKSA-N -1 3 309.431 2.685 20 0 DFADHM CCc1ccc(C(=O)Nc2cccnc2OCCOC)c([O-])c1 ZINC000436820478 297037146 /nfs/dbraw/zinc/03/71/46/297037146.db2.gz MBKNDXNDNHGIJY-UHFFFAOYSA-N -1 3 316.357 2.627 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2nc3cc(F)ccc3[nH]2)c1[O-] ZINC000436823051 297037153 /nfs/dbraw/zinc/03/71/53/297037153.db2.gz SHZDLFNUKCTSSX-UHFFFAOYSA-N -1 3 315.304 2.977 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc([S@](C)=O)c2)c([O-])c1 ZINC000436824931 297037503 /nfs/dbraw/zinc/03/75/03/297037503.db2.gz JFPNNIJOCBWYFZ-NRFANRHFSA-N -1 3 303.383 2.944 20 0 DFADHM CCOC(=O)[C@H](CC)N(C(=O)c1ccc(CC)cc1[O-])C1CC1 ZINC000436830061 297037943 /nfs/dbraw/zinc/03/79/43/297037943.db2.gz CITHRINEWXRCJI-HNNXBMFYSA-N -1 3 319.401 2.901 20 0 DFADHM CCc1ccc(C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([O-])c1 ZINC000436830460 297038226 /nfs/dbraw/zinc/03/82/26/297038226.db2.gz DHCMUQXFNAUCOP-FVQBIDKESA-N -1 3 303.402 2.888 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)ccc1[O-] ZINC000436902802 297043425 /nfs/dbraw/zinc/04/34/25/297043425.db2.gz KQVHHYXPILQIQA-CYBMUJFWSA-N -1 3 322.368 2.772 20 0 DFADHM COc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436831705 297038576 /nfs/dbraw/zinc/03/85/76/297038576.db2.gz YLQXSYLYCCSCAQ-KCJUWKMLSA-N -1 3 303.280 2.814 20 0 DFADHM Cn1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436834970 297038655 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C[C@@H]1CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000736239002 598838634 /nfs/dbraw/zinc/83/86/34/598838634.db2.gz FQWZZYXNWZVIGO-GYSYKLTISA-N -1 3 314.393 2.813 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000736239002 598838635 /nfs/dbraw/zinc/83/86/35/598838635.db2.gz FQWZZYXNWZVIGO-GYSYKLTISA-N -1 3 314.393 2.813 20 0 DFADHM CCOC[C@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736610115 598869630 /nfs/dbraw/zinc/86/96/30/598869630.db2.gz GQAGIKGVPGUURT-NSHDSACASA-N -1 3 321.812 2.773 20 0 DFADHM CCOC[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736610115 598869631 /nfs/dbraw/zinc/86/96/31/598869631.db2.gz GQAGIKGVPGUURT-NSHDSACASA-N -1 3 321.812 2.773 20 0 DFADHM CC/C=C(\C)C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736408238 598887926 /nfs/dbraw/zinc/88/79/26/598887926.db2.gz DXCMRQHIUKUWBW-IGEMTJHASA-N -1 3 316.361 2.534 20 0 DFADHM CC/C=C(\C)C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736408238 598887927 /nfs/dbraw/zinc/88/79/27/598887927.db2.gz 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HNZIILIQMYUKEX-GXTWGEPZSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2)CN1c1ncccc1-c1nn[n-]n1 ZINC000736233996 599061045 /nfs/dbraw/zinc/06/10/45/599061045.db2.gz HNZIILIQMYUKEX-GXTWGEPZSA-N -1 3 306.373 2.644 20 0 DFADHM Fc1ccc(CN(CC2CC2)c2ncccc2-c2nnn[n-]2)cc1 ZINC000737652598 599064433 /nfs/dbraw/zinc/06/44/33/599064433.db2.gz YNTXWASYRLCLHW-UHFFFAOYSA-N -1 3 324.363 2.817 20 0 DFADHM Fc1ccc(CN(CC2CC2)c2ncccc2-c2nn[n-]n2)cc1 ZINC000737652598 599064436 /nfs/dbraw/zinc/06/44/36/599064436.db2.gz YNTXWASYRLCLHW-UHFFFAOYSA-N -1 3 324.363 2.817 20 0 DFADHM COC(C)(C)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821674082 599067776 /nfs/dbraw/zinc/06/77/76/599067776.db2.gz SYQDFKGIYSKZCM-UHFFFAOYSA-N -1 3 315.299 2.722 20 0 DFADHM COC(C)(C)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821674082 599067779 /nfs/dbraw/zinc/06/77/79/599067779.db2.gz SYQDFKGIYSKZCM-UHFFFAOYSA-N -1 3 315.299 2.722 20 0 DFADHM CC(C)c1nccc(NCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000820206585 599069345 /nfs/dbraw/zinc/06/93/45/599069345.db2.gz RHQAQTXRALXNJU-UHFFFAOYSA-N -1 3 313.340 2.531 20 0 DFADHM CC(C)c1nccc(NCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000820206585 599069346 /nfs/dbraw/zinc/06/93/46/599069346.db2.gz RHQAQTXRALXNJU-UHFFFAOYSA-N -1 3 313.340 2.531 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000737058806 599073314 /nfs/dbraw/zinc/07/33/14/599073314.db2.gz OMKAGTYHIIKIGK-JQWIXIFHSA-N -1 3 315.377 2.640 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000737058806 599073316 /nfs/dbraw/zinc/07/33/16/599073316.db2.gz OMKAGTYHIIKIGK-JQWIXIFHSA-N -1 3 315.377 2.640 20 0 DFADHM CCN(CC)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825406032 607833231 /nfs/dbraw/zinc/83/32/31/607833231.db2.gz HCLXIHRUKVDRAX-UHFFFAOYSA-N -1 3 314.176 2.656 20 0 DFADHM CC[C@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)CCS1 ZINC000820995279 599101885 /nfs/dbraw/zinc/10/18/85/599101885.db2.gz PAAOYJHAHMWPKU-JTQLQIEISA-N -1 3 309.826 2.852 20 0 DFADHM CC[C@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)CCS1 ZINC000820995279 599101887 /nfs/dbraw/zinc/10/18/87/599101887.db2.gz PAAOYJHAHMWPKU-JTQLQIEISA-N -1 3 309.826 2.852 20 0 DFADHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1 ZINC000820994141 599101940 /nfs/dbraw/zinc/10/19/40/599101940.db2.gz FGEVSILBSJRGGB-SNVBAGLBSA-N -1 3 309.826 2.852 20 0 DFADHM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1 ZINC000820994141 599101942 /nfs/dbraw/zinc/10/19/42/599101942.db2.gz FGEVSILBSJRGGB-SNVBAGLBSA-N -1 3 309.826 2.852 20 0 DFADHM CCC[C@H](CCO)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821020799 599104777 /nfs/dbraw/zinc/10/47/77/599104777.db2.gz ICUWQXRFNRJXCA-SNVBAGLBSA-N -1 3 309.801 2.731 20 0 DFADHM CCC[C@H](CCO)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821020799 599104778 /nfs/dbraw/zinc/10/47/78/599104778.db2.gz ICUWQXRFNRJXCA-SNVBAGLBSA-N -1 3 309.801 2.731 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccccc1 ZINC000737408244 599121414 /nfs/dbraw/zinc/12/14/14/599121414.db2.gz IMYIPGSPRDFLQQ-UHFFFAOYSA-N -1 3 316.368 2.757 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccccc1 ZINC000737408244 599121417 /nfs/dbraw/zinc/12/14/17/599121417.db2.gz IMYIPGSPRDFLQQ-UHFFFAOYSA-N -1 3 316.368 2.757 20 0 DFADHM CCCCOC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000821071772 599127566 /nfs/dbraw/zinc/12/75/66/599127566.db2.gz MEALZUZULHGYPV-VIFPVBQESA-N -1 3 324.381 2.830 20 0 DFADHM CCCCOC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000821071772 599127569 /nfs/dbraw/zinc/12/75/69/599127569.db2.gz MEALZUZULHGYPV-VIFPVBQESA-N -1 3 324.381 2.830 20 0 DFADHM Cc1cc(F)cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822203126 599147782 /nfs/dbraw/zinc/14/77/82/599147782.db2.gz FZOIWXWVRWOKJI-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cc(F)cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822203126 599147785 /nfs/dbraw/zinc/14/77/85/599147785.db2.gz FZOIWXWVRWOKJI-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)o1 ZINC000822227504 599149218 /nfs/dbraw/zinc/14/92/18/599149218.db2.gz LHSNOUVOAZPDPG-LLVKDONJSA-N -1 3 311.345 2.819 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000822227504 599149220 /nfs/dbraw/zinc/14/92/20/599149220.db2.gz LHSNOUVOAZPDPG-LLVKDONJSA-N -1 3 311.345 2.819 20 0 DFADHM Cc1cc(F)cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822203118 599150879 /nfs/dbraw/zinc/15/08/79/599150879.db2.gz FQWWMOJVAHMACN-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(F)cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822203118 599150881 /nfs/dbraw/zinc/15/08/81/599150881.db2.gz FQWWMOJVAHMACN-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737330024 599167594 /nfs/dbraw/zinc/16/75/94/599167594.db2.gz IBSZYWQDCZMODT-AWEZNQCLSA-N -1 3 323.356 2.745 20 0 DFADHM Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737330024 599167597 /nfs/dbraw/zinc/16/75/97/599167597.db2.gz IBSZYWQDCZMODT-AWEZNQCLSA-N -1 3 323.356 2.745 20 0 DFADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2C)nc(C2CC2)n1 ZINC000737279277 599168779 /nfs/dbraw/zinc/16/87/79/599168779.db2.gz INZMAMNSXZEDAJ-UHFFFAOYSA-N -1 3 308.345 2.943 20 0 DFADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2C)nc(C2CC2)n1 ZINC000737279277 599168780 /nfs/dbraw/zinc/16/87/80/599168780.db2.gz INZMAMNSXZEDAJ-UHFFFAOYSA-N -1 3 308.345 2.943 20 0 DFADHM CC(C)c1noc(CSc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000735953792 599172693 /nfs/dbraw/zinc/17/26/93/599172693.db2.gz LIUTZDAKBASQQV-UHFFFAOYSA-N -1 3 320.353 2.805 20 0 DFADHM CC(C)c1noc(CSc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000735953792 599172696 /nfs/dbraw/zinc/17/26/96/599172696.db2.gz LIUTZDAKBASQQV-UHFFFAOYSA-N -1 3 320.353 2.805 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820054813 599177966 /nfs/dbraw/zinc/17/79/66/599177966.db2.gz CJIGIXOICZCZES-LLVKDONJSA-N -1 3 319.384 2.694 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820054813 599177967 /nfs/dbraw/zinc/17/79/67/599177967.db2.gz CJIGIXOICZCZES-LLVKDONJSA-N -1 3 319.384 2.694 20 0 DFADHM CCCCCC[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736446782 599189622 /nfs/dbraw/zinc/18/96/22/599189622.db2.gz PUDZONWWYBHPNC-NSHDSACASA-N -1 3 302.382 2.807 20 0 DFADHM CCCCCC[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736446782 599189625 /nfs/dbraw/zinc/18/96/25/599189625.db2.gz PUDZONWWYBHPNC-NSHDSACASA-N -1 3 302.382 2.807 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1C2CCCC1CCC2 ZINC000737797506 599226299 /nfs/dbraw/zinc/22/62/99/599226299.db2.gz JGYVQSZAALJMAN-QXMHVHEDSA-N -1 3 323.400 2.814 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1C2CCCC1CCC2 ZINC000737797506 599226300 /nfs/dbraw/zinc/22/63/00/599226300.db2.gz JGYVQSZAALJMAN-QXMHVHEDSA-N -1 3 323.400 2.814 20 0 DFADHM CC(C)n1ncc2cc(Nc3ccc(-c4nnn[n-]4)cn3)ccc21 ZINC000735963625 599232505 /nfs/dbraw/zinc/23/25/05/599232505.db2.gz IORPVQHHMKIHQA-UHFFFAOYSA-N -1 3 320.360 2.936 20 0 DFADHM CC(C)n1ncc2cc(Nc3ccc(-c4nn[n-]n4)cn3)ccc21 ZINC000735963625 599232506 /nfs/dbraw/zinc/23/25/06/599232506.db2.gz IORPVQHHMKIHQA-UHFFFAOYSA-N -1 3 320.360 2.936 20 0 DFADHM CSCCSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000826228805 608291755 /nfs/dbraw/zinc/29/17/55/608291755.db2.gz BBDCTFWWKWZUCU-UHFFFAOYSA-N -1 3 307.448 2.514 20 0 DFADHM CSCCSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC000826228805 608291758 /nfs/dbraw/zinc/29/17/58/608291758.db2.gz BBDCTFWWKWZUCU-UHFFFAOYSA-N -1 3 307.448 2.514 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820870327 599227190 /nfs/dbraw/zinc/22/71/90/599227190.db2.gz QNOWJIYHLFSSRY-MNOVXSKESA-N -1 3 318.450 2.978 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820870327 599227191 /nfs/dbraw/zinc/22/71/91/599227191.db2.gz QNOWJIYHLFSSRY-MNOVXSKESA-N -1 3 318.450 2.978 20 0 DFADHM C[C@H](NC(=S)Nc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403917 599237755 /nfs/dbraw/zinc/23/77/55/599237755.db2.gz MUPDZNAYFSSIFD-NSHDSACASA-N -1 3 324.413 2.914 20 0 DFADHM C[C@H](NC(=S)Nc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403917 599237757 /nfs/dbraw/zinc/23/77/57/599237757.db2.gz MUPDZNAYFSSIFD-NSHDSACASA-N -1 3 324.413 2.914 20 0 DFADHM Cc1nc(C)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822427970 607271881 /nfs/dbraw/zinc/27/18/81/607271881.db2.gz XUHBPMPKQXBQHI-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM Cc1nc(C)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822427970 607271882 /nfs/dbraw/zinc/27/18/82/607271882.db2.gz XUHBPMPKQXBQHI-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820870488 599245635 /nfs/dbraw/zinc/24/56/35/599245635.db2.gz TTYUKOTWGXHHSH-WDEREUQCSA-N -1 3 302.382 2.813 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820870488 599245637 /nfs/dbraw/zinc/24/56/37/599245637.db2.gz TTYUKOTWGXHHSH-WDEREUQCSA-N -1 3 302.382 2.813 20 0 DFADHM C[C@@H]1C[C@H](C)CN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000736225779 599252447 /nfs/dbraw/zinc/25/24/47/599252447.db2.gz DICWVJWOPGXRKL-TXEJJXNPSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1C[C@H](C)CN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000736225779 599252450 /nfs/dbraw/zinc/25/24/50/599252450.db2.gz DICWVJWOPGXRKL-TXEJJXNPSA-N -1 3 308.389 2.897 20 0 DFADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC3CCCC3)c2c1 ZINC000737248469 599253836 /nfs/dbraw/zinc/25/38/36/599253836.db2.gz FTLZLRRUKKBSNV-UHFFFAOYSA-N -1 3 308.389 2.808 20 0 DFADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NC3CCCC3)c2c1 ZINC000737248469 599253838 /nfs/dbraw/zinc/25/38/38/599253838.db2.gz FTLZLRRUKKBSNV-UHFFFAOYSA-N -1 3 308.389 2.808 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CCCC2(C)C)cccc1-c1nnn[n-]1 ZINC000822088884 607289931 /nfs/dbraw/zinc/28/99/31/607289931.db2.gz AXAWVOWGRNMUJN-ZDUSSCGKSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CCCC2(C)C)cccc1-c1nn[n-]n1 ZINC000822088884 607289932 /nfs/dbraw/zinc/28/99/32/607289932.db2.gz AXAWVOWGRNMUJN-ZDUSSCGKSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)NC[C@H](C)C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822095204 607291838 /nfs/dbraw/zinc/29/18/38/607291838.db2.gz BEELKQMFQTYYHA-JTQLQIEISA-N -1 3 316.409 2.979 20 0 DFADHM Cc1c(NC(=O)NC[C@H](C)C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822095204 607291839 /nfs/dbraw/zinc/29/18/39/607291839.db2.gz BEELKQMFQTYYHA-JTQLQIEISA-N -1 3 316.409 2.979 20 0 DFADHM Cc1c(NC(=O)c2cc(F)ccc2F)cccc1-c1nnn[n-]1 ZINC000822107716 607295206 /nfs/dbraw/zinc/29/52/06/607295206.db2.gz BXTMBLIMMYTMII-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1c(NC(=O)c2cc(F)ccc2F)cccc1-c1nn[n-]n1 ZINC000822107716 607295207 /nfs/dbraw/zinc/29/52/07/607295207.db2.gz BXTMBLIMMYTMII-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM CCOc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821431246 607309200 /nfs/dbraw/zinc/30/92/00/607309200.db2.gz NMBRUVIFRFYFLO-UHFFFAOYSA-N -1 3 301.375 2.939 20 0 DFADHM CCOc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821431246 607309201 /nfs/dbraw/zinc/30/92/01/607309201.db2.gz NMBRUVIFRFYFLO-UHFFFAOYSA-N -1 3 301.375 2.939 20 0 DFADHM c1nnc(-c2cccc(NCc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000823757806 607311951 /nfs/dbraw/zinc/31/19/51/607311951.db2.gz WNQYJGMRDCDQKF-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM c1nnc(-c2cccc(NCc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000823757806 607311952 /nfs/dbraw/zinc/31/19/52/607311952.db2.gz WNQYJGMRDCDQKF-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM CCc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821492284 607313049 /nfs/dbraw/zinc/31/30/49/607313049.db2.gz KKVUINOGPNCUOF-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM CCc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821492284 607313050 /nfs/dbraw/zinc/31/30/50/607313050.db2.gz KKVUINOGPNCUOF-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM O=C([O-])C[C@@H]1CCCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000821515360 598182987 /nfs/dbraw/zinc/18/29/87/598182987.db2.gz GAMTZAMDFLFHTJ-NSHDSACASA-N -1 3 319.430 2.960 20 0 DFADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000820147839 598191909 /nfs/dbraw/zinc/19/19/09/598191909.db2.gz HYYAARAWJWRTKP-LLVKDONJSA-N -1 3 313.357 2.726 20 0 DFADHM CC(C)(C)CCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735601722 598233361 /nfs/dbraw/zinc/23/33/61/598233361.db2.gz AUEVMYRZFPGWQG-UHFFFAOYSA-N -1 3 301.394 2.813 20 0 DFADHM CC(C)(C)CCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735601722 598233364 /nfs/dbraw/zinc/23/33/64/598233364.db2.gz AUEVMYRZFPGWQG-UHFFFAOYSA-N -1 3 301.394 2.813 20 0 DFADHM C[C@@H](O)c1ccc(CNc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736148805 598240067 /nfs/dbraw/zinc/24/00/67/598240067.db2.gz DLKPHSMNCOBKRS-SNVBAGLBSA-N -1 3 313.336 2.671 20 0 DFADHM C[C@@H](O)c1ccc(CNc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736148805 598240069 /nfs/dbraw/zinc/24/00/69/598240069.db2.gz DLKPHSMNCOBKRS-SNVBAGLBSA-N -1 3 313.336 2.671 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NCCCOC1CCCC1 ZINC000737641268 598243306 /nfs/dbraw/zinc/24/33/06/598243306.db2.gz VTLZKZBUBUPFFQ-UHFFFAOYSA-N -1 3 305.357 2.767 20 0 DFADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1cccnc1 ZINC000737626800 598274138 /nfs/dbraw/zinc/27/41/38/598274138.db2.gz LKJOTZHYOJFTLC-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM CC(C)CN(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735827555 598280551 /nfs/dbraw/zinc/28/05/51/598280551.db2.gz QKMHMTZRTHLLDG-UHFFFAOYSA-N -1 3 319.413 2.543 20 0 DFADHM CC(C)CN(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735827555 598280552 /nfs/dbraw/zinc/28/05/52/598280552.db2.gz QKMHMTZRTHLLDG-UHFFFAOYSA-N -1 3 319.413 2.543 20 0 DFADHM Fc1cccc2c1C1(CCC1)CN2c1ccc(-c2nnn[n-]2)cn1 ZINC000737665688 598298953 /nfs/dbraw/zinc/29/89/53/598298953.db2.gz UILUMOBCVPNSFH-UHFFFAOYSA-N -1 3 322.347 2.974 20 0 DFADHM Fc1cccc2c1C1(CCC1)CN2c1ccc(-c2nn[n-]n2)cn1 ZINC000737665688 598298955 /nfs/dbraw/zinc/29/89/55/598298955.db2.gz UILUMOBCVPNSFH-UHFFFAOYSA-N -1 3 322.347 2.974 20 0 DFADHM Cc1ccccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737415686 598311983 /nfs/dbraw/zinc/31/19/83/598311983.db2.gz SALDGEUYASGXPE-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1ccccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737415686 598311984 /nfs/dbraw/zinc/31/19/84/598311984.db2.gz SALDGEUYASGXPE-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CC(C)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735857776 598316357 /nfs/dbraw/zinc/31/63/57/598316357.db2.gz ZADOIGBESUPOKO-UHFFFAOYSA-N -1 3 310.814 2.557 20 0 DFADHM CC(C)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735857776 598316360 /nfs/dbraw/zinc/31/63/60/598316360.db2.gz ZADOIGBESUPOKO-UHFFFAOYSA-N -1 3 310.814 2.557 20 0 DFADHM Cc1ccc(C(=O)OCc2ccccc2-c2nnn[n-]2)cc1F ZINC000737316868 598330818 /nfs/dbraw/zinc/33/08/18/598330818.db2.gz HQHRTHFXFGNQFB-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccc(C(=O)OCc2ccccc2-c2nn[n-]n2)cc1F ZINC000737316868 598330819 /nfs/dbraw/zinc/33/08/19/598330819.db2.gz HQHRTHFXFGNQFB-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737509515 598339542 /nfs/dbraw/zinc/33/95/42/598339542.db2.gz GSAHROXYTGFCHF-OAHLLOKOSA-N -1 3 323.404 2.559 20 0 DFADHM COc1ccccc1C=CC=Cc1ccc(-c2nnn[n-]2)cn1 ZINC000737147156 598363650 /nfs/dbraw/zinc/36/36/50/598363650.db2.gz KZDJYONODNNMGW-XATRDHJGSA-N -1 3 305.341 2.997 20 0 DFADHM COc1ccccc1C=CC=Cc1ccc(-c2nn[n-]n2)cn1 ZINC000737147156 598363652 /nfs/dbraw/zinc/36/36/52/598363652.db2.gz KZDJYONODNNMGW-XATRDHJGSA-N -1 3 305.341 2.997 20 0 DFADHM CCC(C)(C)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736315231 598370864 /nfs/dbraw/zinc/37/08/64/598370864.db2.gz XMELDUSEZOGJNZ-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CO[C@H](C)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736959384 598381508 /nfs/dbraw/zinc/38/15/08/598381508.db2.gz BTGAVXKUVFVNKC-LLVKDONJSA-N -1 3 323.356 2.826 20 0 DFADHM CO[C@H](C)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736959384 598381510 /nfs/dbraw/zinc/38/15/10/598381510.db2.gz BTGAVXKUVFVNKC-LLVKDONJSA-N -1 3 323.356 2.826 20 0 DFADHM Cc1ccccc1C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737424737 598386304 /nfs/dbraw/zinc/38/63/04/598386304.db2.gz WEEBLQPJCPKCJK-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM Cc1ccccc1C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737424737 598386305 /nfs/dbraw/zinc/38/63/05/598386305.db2.gz WEEBLQPJCPKCJK-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM CCC(CC)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000736346168 598414021 /nfs/dbraw/zinc/41/40/21/598414021.db2.gz SSSSOZBZPOOLPO-JTQLQIEISA-N -1 3 319.434 2.652 20 0 DFADHM CCC(CC)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000736346168 598414023 /nfs/dbraw/zinc/41/40/23/598414023.db2.gz SSSSOZBZPOOLPO-JTQLQIEISA-N -1 3 319.434 2.652 20 0 DFADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000737188864 598422733 /nfs/dbraw/zinc/42/27/33/598422733.db2.gz HTGWCMGJTBXGAK-YLGBQOPLSA-N -1 3 319.368 2.757 20 0 DFADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000737188864 598422735 /nfs/dbraw/zinc/42/27/35/598422735.db2.gz HTGWCMGJTBXGAK-YLGBQOPLSA-N -1 3 319.368 2.757 20 0 DFADHM Cc1ccc(F)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737344949 598426987 /nfs/dbraw/zinc/42/69/87/598426987.db2.gz MLCJMXJWYVUGGO-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccc(F)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737344949 598426989 /nfs/dbraw/zinc/42/69/89/598426989.db2.gz MLCJMXJWYVUGGO-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736313592 598455054 /nfs/dbraw/zinc/45/50/54/598455054.db2.gz GXKMGIJHCOPLQH-GOSISDBHSA-N -1 3 321.384 2.922 20 0 DFADHM CC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736313592 598455055 /nfs/dbraw/zinc/45/50/55/598455055.db2.gz GXKMGIJHCOPLQH-GOSISDBHSA-N -1 3 321.384 2.922 20 0 DFADHM COc1cccc(CCCNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737132021 598456406 /nfs/dbraw/zinc/45/64/06/598456406.db2.gz UCVJXCIFYZOIIS-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1nc2ccccc2[nH]1 ZINC000736369902 598458887 /nfs/dbraw/zinc/45/88/87/598458887.db2.gz OLKPZBKPFFBJES-NSHDSACASA-N -1 3 320.360 2.701 20 0 DFADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1nc2ccccc2[nH]1 ZINC000736369902 598458888 /nfs/dbraw/zinc/45/88/88/598458888.db2.gz OLKPZBKPFFBJES-NSHDSACASA-N -1 3 320.360 2.701 20 0 DFADHM CC(C)C[C@H](CCO)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820057292 599686217 /nfs/dbraw/zinc/68/62/17/599686217.db2.gz XNLYDBNVUUBRMG-NSHDSACASA-N -1 3 323.828 2.977 20 0 DFADHM CC(C)C[C@H](CCO)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820057292 599686218 /nfs/dbraw/zinc/68/62/18/599686218.db2.gz XNLYDBNVUUBRMG-NSHDSACASA-N -1 3 323.828 2.977 20 0 DFADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=C1CCCC1 ZINC000735656143 598487762 /nfs/dbraw/zinc/48/77/62/598487762.db2.gz VRCIXVYHHVVPAN-UHFFFAOYSA-N -1 3 314.393 2.862 20 0 DFADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=C1CCCC1 ZINC000735656143 598487764 /nfs/dbraw/zinc/48/77/64/598487764.db2.gz VRCIXVYHHVVPAN-UHFFFAOYSA-N -1 3 314.393 2.862 20 0 DFADHM CC(C)(C)n1cnnc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735665547 598494017 /nfs/dbraw/zinc/49/40/17/598494017.db2.gz YZYBZIJFCYBPHN-UHFFFAOYSA-N -1 3 315.406 2.506 20 0 DFADHM CC(C)(C)n1cnnc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735665547 598494018 /nfs/dbraw/zinc/49/40/18/598494018.db2.gz YZYBZIJFCYBPHN-UHFFFAOYSA-N -1 3 315.406 2.506 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000737196620 598495062 /nfs/dbraw/zinc/49/50/62/598495062.db2.gz UOVTWPOKUXNFNO-PYXIZHECSA-N -1 3 311.389 2.575 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000737196620 598495064 /nfs/dbraw/zinc/49/50/64/598495064.db2.gz UOVTWPOKUXNFNO-PYXIZHECSA-N -1 3 311.389 2.575 20 0 DFADHM C/C=C/CSCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736301322 598511623 /nfs/dbraw/zinc/51/16/23/598511623.db2.gz ABRHWRSHBVAGFS-NSCUHMNNSA-N -1 3 323.809 2.768 20 0 DFADHM C/C=C/CSCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736301322 598511625 /nfs/dbraw/zinc/51/16/25/598511625.db2.gz ABRHWRSHBVAGFS-NSCUHMNNSA-N -1 3 323.809 2.768 20 0 DFADHM C[C@@H](O)CCc1ccc(OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736143460 598552518 /nfs/dbraw/zinc/55/25/18/598552518.db2.gz JLEJRULXOXGHLB-CYBMUJFWSA-N -1 3 324.384 2.759 20 0 DFADHM C[C@@H](O)CCc1ccc(OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736143460 598552521 /nfs/dbraw/zinc/55/25/21/598552521.db2.gz JLEJRULXOXGHLB-CYBMUJFWSA-N -1 3 324.384 2.759 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2ccccc2)CC1 ZINC000738164093 598591470 /nfs/dbraw/zinc/59/14/70/598591470.db2.gz XOTUDDNQDJEQBD-UHFFFAOYSA-N -1 3 323.331 2.676 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2ccccc2)CC1 ZINC000738164093 598591472 /nfs/dbraw/zinc/59/14/72/598591472.db2.gz XOTUDDNQDJEQBD-UHFFFAOYSA-N -1 3 323.331 2.676 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000737384951 598591985 /nfs/dbraw/zinc/59/19/85/598591985.db2.gz NVSYYMIJLYENOW-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000737384951 598591986 /nfs/dbraw/zinc/59/19/86/598591986.db2.gz NVSYYMIJLYENOW-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Fc1ccc(NCCc2ccccc2F)c(-c2nnn[n-]2)c1 ZINC000737656434 598631478 /nfs/dbraw/zinc/63/14/78/598631478.db2.gz MMEGFCJWEBLDLH-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM Fc1ccc(NCCc2ccccc2F)c(-c2nn[n-]n2)c1 ZINC000737656434 598631480 /nfs/dbraw/zinc/63/14/80/598631480.db2.gz MMEGFCJWEBLDLH-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM CCCCCCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736445523 598632273 /nfs/dbraw/zinc/63/22/73/598632273.db2.gz CWXQAISMSSRRJT-UHFFFAOYSA-N -1 3 306.345 2.708 20 0 DFADHM CCCCCCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736445523 598632275 /nfs/dbraw/zinc/63/22/75/598632275.db2.gz CWXQAISMSSRRJT-UHFFFAOYSA-N -1 3 306.345 2.708 20 0 DFADHM Cc1noc(C)c1CN(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737539040 598633357 /nfs/dbraw/zinc/63/33/57/598633357.db2.gz XVYWIDLEZINZKA-UHFFFAOYSA-N -1 3 318.768 2.761 20 0 DFADHM Cc1noc(C)c1CN(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737539040 598633358 /nfs/dbraw/zinc/63/33/58/598633358.db2.gz XVYWIDLEZINZKA-UHFFFAOYSA-N -1 3 318.768 2.761 20 0 DFADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CC(C)(C)O1 ZINC000736290185 598634128 /nfs/dbraw/zinc/63/41/28/598634128.db2.gz PSVSOOKDHAAORQ-VIFPVBQESA-N -1 3 307.785 2.524 20 0 DFADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CC(C)(C)O1 ZINC000736290185 598634130 /nfs/dbraw/zinc/63/41/30/598634130.db2.gz PSVSOOKDHAAORQ-VIFPVBQESA-N -1 3 307.785 2.524 20 0 DFADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000737342245 598653208 /nfs/dbraw/zinc/65/32/08/598653208.db2.gz NPBNYQYKGNKYEO-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737342245 598653209 /nfs/dbraw/zinc/65/32/09/598653209.db2.gz NPBNYQYKGNKYEO-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736364734 598656690 /nfs/dbraw/zinc/65/66/90/598656690.db2.gz UPYVBBWFTLLWKI-CYBMUJFWSA-N -1 3 319.434 2.510 20 0 DFADHM CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736364734 598656692 /nfs/dbraw/zinc/65/66/92/598656692.db2.gz UPYVBBWFTLLWKI-CYBMUJFWSA-N -1 3 319.434 2.510 20 0 DFADHM COc1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737141519 598674684 /nfs/dbraw/zinc/67/46/84/598674684.db2.gz MPXUCFWLVBEXBX-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737141519 598674686 /nfs/dbraw/zinc/67/46/86/598674686.db2.gz MPXUCFWLVBEXBX-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM Fc1ccc(CN2CCc3sccc3C2)c(-c2nnn[n-]2)c1 ZINC000737650548 598679371 /nfs/dbraw/zinc/67/93/71/598679371.db2.gz SKSFGFXMQMHALY-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1ccc(CN2CCc3sccc3C2)c(-c2nn[n-]n2)c1 ZINC000737650548 598679372 /nfs/dbraw/zinc/67/93/72/598679372.db2.gz SKSFGFXMQMHALY-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737318802 598703036 /nfs/dbraw/zinc/70/30/36/598703036.db2.gz XVRAPVZVZIPMNK-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737318802 598703038 /nfs/dbraw/zinc/70/30/38/598703038.db2.gz XVRAPVZVZIPMNK-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)o1 ZINC000738236396 598705617 /nfs/dbraw/zinc/70/56/17/598705617.db2.gz XSIVGKPPIKTQIN-UHFFFAOYSA-N -1 3 322.683 2.609 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)o1 ZINC000738236396 598705618 /nfs/dbraw/zinc/70/56/18/598705618.db2.gz XSIVGKPPIKTQIN-UHFFFAOYSA-N -1 3 322.683 2.609 20 0 DFADHM CCc1cccc2c1N(Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000736694756 598709456 /nfs/dbraw/zinc/70/94/56/598709456.db2.gz BMOJDVITPPJTKU-UHFFFAOYSA-N -1 3 305.385 2.992 20 0 DFADHM CCc1cccc2c1N(Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000736694756 598709457 /nfs/dbraw/zinc/70/94/57/598709457.db2.gz BMOJDVITPPJTKU-UHFFFAOYSA-N -1 3 305.385 2.992 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736322464 598730635 /nfs/dbraw/zinc/73/06/35/598730635.db2.gz KVDSNVMGLVRACK-SECBINFHSA-N -1 3 306.345 2.516 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736322464 598730636 /nfs/dbraw/zinc/73/06/36/598730636.db2.gz KVDSNVMGLVRACK-SECBINFHSA-N -1 3 306.345 2.516 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736251479 598734432 /nfs/dbraw/zinc/73/44/32/598734432.db2.gz OQSTYLAVXVUHTN-HRFIDBLHSA-N -1 3 311.389 2.669 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736251479 598734433 /nfs/dbraw/zinc/73/44/33/598734433.db2.gz OQSTYLAVXVUHTN-HRFIDBLHSA-N -1 3 311.389 2.669 20 0 DFADHM CC[C@@H](C)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736327290 598735432 /nfs/dbraw/zinc/73/54/32/598735432.db2.gz QEXMPNWNRNIGIM-GFCCVEGCSA-N -1 3 318.377 2.758 20 0 DFADHM CC[C@@H](C)OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736327290 598735433 /nfs/dbraw/zinc/73/54/33/598735433.db2.gz QEXMPNWNRNIGIM-GFCCVEGCSA-N -1 3 318.377 2.758 20 0 DFADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000735748562 598748460 /nfs/dbraw/zinc/74/84/60/598748460.db2.gz KWHZKFULHZNQLD-GHMZBOCLSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000735748562 598748462 /nfs/dbraw/zinc/74/84/62/598748462.db2.gz KWHZKFULHZNQLD-GHMZBOCLSA-N -1 3 319.434 2.873 20 0 DFADHM CCS[C@@H]1CCCCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736665520 598749209 /nfs/dbraw/zinc/74/92/09/598749209.db2.gz OYHAWQZCXIKUPF-CQSZACIVSA-N -1 3 303.435 2.979 20 0 DFADHM CC(=O)Nc1ccc(C)cc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000735483896 598788265 /nfs/dbraw/zinc/78/82/65/598788265.db2.gz BPVLBQNDVSGBKR-UHFFFAOYSA-N -1 3 323.356 2.713 20 0 DFADHM CC(=O)Nc1ccc(C)cc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000735483896 598788267 /nfs/dbraw/zinc/78/82/67/598788267.db2.gz BPVLBQNDVSGBKR-UHFFFAOYSA-N -1 3 323.356 2.713 20 0 DFADHM CN(C(=O)[C@H]1CCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736731562 598790547 /nfs/dbraw/zinc/79/05/47/598790547.db2.gz IKZSQDRLHXMHDM-INIZCTEOSA-N -1 3 319.368 2.560 20 0 DFADHM CN(C(=O)[C@H]1CCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736731562 598790548 /nfs/dbraw/zinc/79/05/48/598790548.db2.gz IKZSQDRLHXMHDM-INIZCTEOSA-N -1 3 319.368 2.560 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCc2ccccc21 ZINC000737291073 598790601 /nfs/dbraw/zinc/79/06/01/598790601.db2.gz HEZHPSBYCXQABD-HNNXBMFYSA-N -1 3 319.368 2.844 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCc2ccccc21 ZINC000737291073 598790602 /nfs/dbraw/zinc/79/06/02/598790602.db2.gz HEZHPSBYCXQABD-HNNXBMFYSA-N -1 3 319.368 2.844 20 0 DFADHM Cc1ccc(CCCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737337916 598803282 /nfs/dbraw/zinc/80/32/82/598803282.db2.gz LQHMQTOTJVUNTQ-UHFFFAOYSA-N -1 3 322.372 2.532 20 0 DFADHM Cc1ccc(CCCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737337916 598803283 /nfs/dbraw/zinc/80/32/83/598803283.db2.gz LQHMQTOTJVUNTQ-UHFFFAOYSA-N -1 3 322.372 2.532 20 0 DFADHM CC[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC000736336058 598815822 /nfs/dbraw/zinc/81/58/22/598815822.db2.gz YSKLKDCOVBXELL-LLVKDONJSA-N -1 3 318.377 2.853 20 0 DFADHM CC[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC000736336058 598815823 /nfs/dbraw/zinc/81/58/23/598815823.db2.gz YSKLKDCOVBXELL-LLVKDONJSA-N -1 3 318.377 2.853 20 0 DFADHM CN(C(=O)C=Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733523 599304608 /nfs/dbraw/zinc/30/46/08/599304608.db2.gz SUOCMKLLUYDDHC-YHYXMXQVSA-N -1 3 323.331 2.682 20 0 DFADHM CN(C(=O)C=Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733523 599304610 /nfs/dbraw/zinc/30/46/10/599304610.db2.gz SUOCMKLLUYDDHC-YHYXMXQVSA-N -1 3 323.331 2.682 20 0 DFADHM FC(F)(F)COCCCSc1ccccc1-c1nnn[n-]1 ZINC000822718472 599348092 /nfs/dbraw/zinc/34/80/92/599348092.db2.gz JHUCXCPBODOEDM-UHFFFAOYSA-N -1 3 318.324 2.928 20 0 DFADHM FC(F)(F)COCCCSc1ccccc1-c1nn[n-]n1 ZINC000822718472 599348095 /nfs/dbraw/zinc/34/80/95/599348095.db2.gz JHUCXCPBODOEDM-UHFFFAOYSA-N -1 3 318.324 2.928 20 0 DFADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCCCSC ZINC000821699175 599382613 /nfs/dbraw/zinc/38/26/13/599382613.db2.gz FIYYEKQADCQPIN-UHFFFAOYSA-N -1 3 314.798 2.661 20 0 DFADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCCCSC ZINC000821699175 599382615 /nfs/dbraw/zinc/38/26/15/599382615.db2.gz FIYYEKQADCQPIN-UHFFFAOYSA-N -1 3 314.798 2.661 20 0 DFADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(Cl)c1 ZINC000820432835 599389956 /nfs/dbraw/zinc/38/99/56/599389956.db2.gz SMQCDBFWKRBKEL-VIFPVBQESA-N -1 3 303.753 2.964 20 0 DFADHM O=C1CCCc2c(OCc3ccc(-c4nnn[n-]4)cc3)cccc21 ZINC000823530511 599390486 /nfs/dbraw/zinc/39/04/86/599390486.db2.gz MTBVVJOGGFYMDR-UHFFFAOYSA-N -1 3 320.352 2.965 20 0 DFADHM O=C1CCCc2c(OCc3ccc(-c4nn[n-]n4)cc3)cccc21 ZINC000823530511 599390490 /nfs/dbraw/zinc/39/04/90/599390490.db2.gz MTBVVJOGGFYMDR-UHFFFAOYSA-N -1 3 320.352 2.965 20 0 DFADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1cc(F)ccc1F ZINC000820432621 599397615 /nfs/dbraw/zinc/39/76/15/599397615.db2.gz RBOBBPYOLYLKND-QMMMGPOBSA-N -1 3 305.288 2.589 20 0 DFADHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1cc(F)ccc1F ZINC000820432621 599397618 /nfs/dbraw/zinc/39/76/18/599397618.db2.gz RBOBBPYOLYLKND-QMMMGPOBSA-N -1 3 305.288 2.589 20 0 DFADHM CC(C)Oc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820155680 599401066 /nfs/dbraw/zinc/40/10/66/599401066.db2.gz UXRZAOYKNJYROR-UHFFFAOYSA-N -1 3 313.361 2.537 20 0 DFADHM c1cc(-c2nnn[n-]2)oc1CNCc1ccc2ccccc2c1 ZINC000823802486 599419049 /nfs/dbraw/zinc/41/90/49/599419049.db2.gz QGACRCTWXQEOEK-UHFFFAOYSA-N -1 3 305.341 2.903 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H]2CC=CCC2)n1 ZINC000737633641 599443245 /nfs/dbraw/zinc/44/32/45/599443245.db2.gz UHFSLHVGCYIXSO-QMMMGPOBSA-N -1 3 310.283 2.801 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H]2CC=CCC2)n1 ZINC000737633641 599443247 /nfs/dbraw/zinc/44/32/47/599443247.db2.gz UHFSLHVGCYIXSO-QMMMGPOBSA-N -1 3 310.283 2.801 20 0 DFADHM CN(CCc1ccccn1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821604886 599464838 /nfs/dbraw/zinc/46/48/38/599464838.db2.gz LUDJSJCINCVZGI-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM CN(CCc1ccccn1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821604886 599464839 /nfs/dbraw/zinc/46/48/39/599464839.db2.gz LUDJSJCINCVZGI-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM CN(Cc1cccnc1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821615948 599465560 /nfs/dbraw/zinc/46/55/60/599465560.db2.gz VYONMAHLZPSSCQ-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1cccnc1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821615948 599465563 /nfs/dbraw/zinc/46/55/63/599465563.db2.gz VYONMAHLZPSSCQ-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC000736235038 599472668 /nfs/dbraw/zinc/47/26/68/599472668.db2.gz LOIFUCFFMIXRFZ-FZMZJTMJSA-N -1 3 324.363 2.783 20 0 DFADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC000736235038 599472669 /nfs/dbraw/zinc/47/26/69/599472669.db2.gz LOIFUCFFMIXRFZ-FZMZJTMJSA-N -1 3 324.363 2.783 20 0 DFADHM CC(C)CCN(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820072483 599476521 /nfs/dbraw/zinc/47/65/21/599476521.db2.gz HMRVLCHTNUEYCS-GFCCVEGCSA-N -1 3 316.409 2.615 20 0 DFADHM CC(C)CCN(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820072483 599476523 /nfs/dbraw/zinc/47/65/23/599476523.db2.gz HMRVLCHTNUEYCS-GFCCVEGCSA-N -1 3 316.409 2.615 20 0 DFADHM Fc1ccc(NC[C@@H]2CCc3ccccc3N2)c(-c2nnn[n-]2)c1 ZINC000822779556 599524155 /nfs/dbraw/zinc/52/41/55/599524155.db2.gz WUADVHQPHWYXRJ-ZDUSSCGKSA-N -1 3 324.363 2.845 20 0 DFADHM Fc1ccc(NC[C@@H]2CCc3ccccc3N2)c(-c2nn[n-]n2)c1 ZINC000822779556 599524158 /nfs/dbraw/zinc/52/41/58/599524158.db2.gz WUADVHQPHWYXRJ-ZDUSSCGKSA-N -1 3 324.363 2.845 20 0 DFADHM Fc1ccc(F)c(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822774556 599529566 /nfs/dbraw/zinc/52/95/66/599529566.db2.gz LZBLEOGKWUVISV-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(F)c(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822774556 599529570 /nfs/dbraw/zinc/52/95/70/599529570.db2.gz LZBLEOGKWUVISV-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM C[C@H](NC(=O)C=Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321811 599536195 /nfs/dbraw/zinc/53/61/95/599536195.db2.gz MTWLYTAPFOYWMK-NHAQELONSA-N -1 3 319.368 2.757 20 0 DFADHM C[C@H](NC(=O)C=Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321811 599536198 /nfs/dbraw/zinc/53/61/98/599536198.db2.gz MTWLYTAPFOYWMK-NHAQELONSA-N -1 3 319.368 2.757 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC(C)(C)C ZINC000736820883 599542223 /nfs/dbraw/zinc/54/22/23/599542223.db2.gz RIMNRDPTUHXVRK-UHFFFAOYSA-N -1 3 301.394 2.651 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC(C)(C)C ZINC000736820883 599542225 /nfs/dbraw/zinc/54/22/25/599542225.db2.gz RIMNRDPTUHXVRK-UHFFFAOYSA-N -1 3 301.394 2.651 20 0 DFADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736333770 599548237 /nfs/dbraw/zinc/54/82/37/599548237.db2.gz VAJYRNBDTCLTRD-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736333770 599548239 /nfs/dbraw/zinc/54/82/39/599548239.db2.gz VAJYRNBDTCLTRD-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@@H]1C ZINC000820709135 599549390 /nfs/dbraw/zinc/54/93/90/599549390.db2.gz DPLBMAIAEYZBOZ-GHMZBOCLSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC000820709135 599549392 /nfs/dbraw/zinc/54/93/92/599549392.db2.gz DPLBMAIAEYZBOZ-GHMZBOCLSA-N -1 3 300.366 2.519 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]2CCC[C@H]21 ZINC000823308448 599554109 /nfs/dbraw/zinc/55/41/09/599554109.db2.gz AVIQDEJQBAXJFD-BXUZGUMPSA-N -1 3 312.377 2.663 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]2CCC[C@H]21 ZINC000823308448 599554111 /nfs/dbraw/zinc/55/41/11/599554111.db2.gz AVIQDEJQBAXJFD-BXUZGUMPSA-N -1 3 312.377 2.663 20 0 DFADHM OC1(CNc2ccc(F)cc2-c2nn[n-]n2)CCCCCC1 ZINC000823699808 599563384 /nfs/dbraw/zinc/56/33/84/599563384.db2.gz YCDQAENCQZGSTB-UHFFFAOYSA-N -1 3 305.357 2.503 20 0 DFADHM OC1(CNc2ccc(F)cc2-c2nnn[n-]2)CCCCCC1 ZINC000823699808 599563382 /nfs/dbraw/zinc/56/33/82/599563382.db2.gz YCDQAENCQZGSTB-UHFFFAOYSA-N -1 3 305.357 2.503 20 0 DFADHM COC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000821684336 599579074 /nfs/dbraw/zinc/57/90/74/599579074.db2.gz YPPAKZYBYJKZBS-AWEZNQCLSA-N -1 3 313.336 2.805 20 0 DFADHM COC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000821684336 599579075 /nfs/dbraw/zinc/57/90/75/599579075.db2.gz YPPAKZYBYJKZBS-AWEZNQCLSA-N -1 3 313.336 2.805 20 0 DFADHM C[C@@H](O)CC(C)(C)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820473390 599583560 /nfs/dbraw/zinc/58/35/60/599583560.db2.gz BMRFBAQZQDGIQN-SECBINFHSA-N -1 3 309.801 2.729 20 0 DFADHM C[C@@H](O)CC(C)(C)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820473390 599583563 /nfs/dbraw/zinc/58/35/63/599583563.db2.gz BMRFBAQZQDGIQN-SECBINFHSA-N -1 3 309.801 2.729 20 0 DFADHM CCO[C@H]1C[C@H](Nc2ccc(F)cc2-c2nnn[n-]2)C12CCC2 ZINC000821358208 599586655 /nfs/dbraw/zinc/58/66/55/599586655.db2.gz ICTJNQJCFFKXBA-KBPBESRZSA-N -1 3 317.368 2.765 20 0 DFADHM CCO[C@H]1C[C@H](Nc2ccc(F)cc2-c2nn[n-]n2)C12CCC2 ZINC000821358208 599586658 /nfs/dbraw/zinc/58/66/58/599586658.db2.gz ICTJNQJCFFKXBA-KBPBESRZSA-N -1 3 317.368 2.765 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000822193338 599591559 /nfs/dbraw/zinc/59/15/59/599591559.db2.gz TYRLWPRDQOVGCT-LSDHHAIUSA-N -1 3 320.400 2.922 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000822193338 599591562 /nfs/dbraw/zinc/59/15/62/599591562.db2.gz TYRLWPRDQOVGCT-LSDHHAIUSA-N -1 3 320.400 2.922 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2C[C@H]2Cc2ccccc2)n1 ZINC000822193335 599591674 /nfs/dbraw/zinc/59/16/74/599591674.db2.gz TYRLWPRDQOVGCT-CABCVRRESA-N -1 3 320.400 2.922 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2C[C@H]2Cc2ccccc2)n1 ZINC000822193335 599591675 /nfs/dbraw/zinc/59/16/75/599591675.db2.gz TYRLWPRDQOVGCT-CABCVRRESA-N -1 3 320.400 2.922 20 0 DFADHM C[C@H](C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000820479751 599622331 /nfs/dbraw/zinc/62/23/31/599622331.db2.gz BUGPTIIGRNNJPY-SFYZADRCSA-N -1 3 314.267 2.669 20 0 DFADHM C[C@H](C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000820479751 599622332 /nfs/dbraw/zinc/62/23/32/599622332.db2.gz BUGPTIIGRNNJPY-SFYZADRCSA-N -1 3 314.267 2.669 20 0 DFADHM Cc1ccc([C@H](C)C(=O)OCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822227551 599623865 /nfs/dbraw/zinc/62/38/65/599623865.db2.gz MWFDVGYXWJWNJC-NSHDSACASA-N -1 3 312.329 2.615 20 0 DFADHM Cc1ccc([C@H](C)C(=O)OCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822227551 599623866 /nfs/dbraw/zinc/62/38/66/599623866.db2.gz MWFDVGYXWJWNJC-NSHDSACASA-N -1 3 312.329 2.615 20 0 DFADHM COc1cccc([C@@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821860044 599628309 /nfs/dbraw/zinc/62/83/09/599628309.db2.gz WTEIQGKJIKYMDZ-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM COc1cccc([C@@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821860044 599628310 /nfs/dbraw/zinc/62/83/10/599628310.db2.gz WTEIQGKJIKYMDZ-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM O=C(CCC(F)(F)F)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822950610 599629899 /nfs/dbraw/zinc/62/98/99/599629899.db2.gz VAQXLLWWOSIQOC-UHFFFAOYSA-N -1 3 319.674 2.801 20 0 DFADHM O=C(CCC(F)(F)F)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822950610 599629900 /nfs/dbraw/zinc/62/99/00/599629900.db2.gz VAQXLLWWOSIQOC-UHFFFAOYSA-N -1 3 319.674 2.801 20 0 DFADHM Cc1c(F)cccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822034526 599657456 /nfs/dbraw/zinc/65/74/56/599657456.db2.gz GBRLLNQGIPLIHT-MDZDMXLPSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1c(F)cccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822034526 599657457 /nfs/dbraw/zinc/65/74/57/599657457.db2.gz GBRLLNQGIPLIHT-MDZDMXLPSA-N -1 3 323.331 2.966 20 0 DFADHM CCC(C)(C)CCOC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000820848333 599657895 /nfs/dbraw/zinc/65/78/95/599657895.db2.gz VAKXPZUBKRQBSK-UHFFFAOYSA-N -1 3 317.393 2.648 20 0 DFADHM Cc1ccccc1COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826307259 607389094 /nfs/dbraw/zinc/38/90/94/607389094.db2.gz APTHYKRTBWUERY-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM Cc1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826307259 607389096 /nfs/dbraw/zinc/38/90/96/607389096.db2.gz APTHYKRTBWUERY-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM CC(C)[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)N1CCCCC1 ZINC000736348765 599727576 /nfs/dbraw/zinc/72/75/76/599727576.db2.gz CYNHEOTYJRLPKT-HNNXBMFYSA-N -1 3 322.380 2.973 20 0 DFADHM CCCCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000736995916 599810274 /nfs/dbraw/zinc/81/02/74/599810274.db2.gz RFLMOYVDIYXNRQ-OAHLLOKOSA-N -1 3 310.825 2.883 20 0 DFADHM CC(C)Oc1ccc(NC(=O)C2(C)CCC2)cc1-c1nnn[n-]1 ZINC000820160074 607401252 /nfs/dbraw/zinc/40/12/52/607401252.db2.gz GDKDZSJVUXNOLP-UHFFFAOYSA-N -1 3 315.377 2.783 20 0 DFADHM CC(C)Oc1ccc(NC(=O)C2(C)CCC2)cc1-c1nn[n-]n1 ZINC000820160074 607401254 /nfs/dbraw/zinc/40/12/54/607401254.db2.gz GDKDZSJVUXNOLP-UHFFFAOYSA-N -1 3 315.377 2.783 20 0 DFADHM CCc1nccn1[C@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000737285401 599919754 /nfs/dbraw/zinc/91/97/54/599919754.db2.gz RVSARQXKNPDRGH-ZDUSSCGKSA-N -1 3 317.389 2.882 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)C(C)(C)C ZINC000826252467 607409254 /nfs/dbraw/zinc/40/92/54/607409254.db2.gz DMTIWYPELMEEDW-NSHDSACASA-N -1 3 302.378 2.901 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)C(C)(C)C ZINC000826252467 607409256 /nfs/dbraw/zinc/40/92/56/607409256.db2.gz DMTIWYPELMEEDW-NSHDSACASA-N -1 3 302.378 2.901 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccccc1C ZINC000821749549 607411077 /nfs/dbraw/zinc/41/10/77/607411077.db2.gz RGFAQFKJSQOXAR-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccccc1C ZINC000821749549 607411078 /nfs/dbraw/zinc/41/10/78/607411078.db2.gz RGFAQFKJSQOXAR-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H](C)C(C)(C)C ZINC000821736391 607417981 /nfs/dbraw/zinc/41/79/81/607417981.db2.gz IVVIDDLGXPHGAZ-JTQLQIEISA-N -1 3 318.377 2.601 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H](C)C(C)(C)C ZINC000821736391 607417982 /nfs/dbraw/zinc/41/79/82/607417982.db2.gz IVVIDDLGXPHGAZ-JTQLQIEISA-N -1 3 318.377 2.601 20 0 DFADHM CC(C)(C)OC(=O)C1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000736261120 600143496 /nfs/dbraw/zinc/14/34/96/600143496.db2.gz AGVDHONQJITJRN-UHFFFAOYSA-N -1 3 319.401 2.939 20 0 DFADHM CC(C)N(CCC(=O)[O-])CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000736466184 600220991 /nfs/dbraw/zinc/22/09/91/600220991.db2.gz QOQJMHMELLCXNP-CYBMUJFWSA-N -1 3 324.396 2.530 20 0 DFADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000738290387 600373754 /nfs/dbraw/zinc/37/37/54/600373754.db2.gz AKYNUPFGQBRTPP-ONGXEEELSA-N -1 3 312.797 2.628 20 0 DFADHM CCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825632632 607439632 /nfs/dbraw/zinc/43/96/32/607439632.db2.gz YNUNFDQTXHYYLD-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825632632 607439633 /nfs/dbraw/zinc/43/96/33/607439633.db2.gz YNUNFDQTXHYYLD-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM COCc1ccccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737834413 600421427 /nfs/dbraw/zinc/42/14/27/600421427.db2.gz DBQYCRYFVZDWMA-INIZCTEOSA-N -1 3 303.333 2.888 20 0 DFADHM Cc1ccc([C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826282706 607443745 /nfs/dbraw/zinc/44/37/45/607443745.db2.gz AWMNEOXBDXGFJO-NSHDSACASA-N -1 3 311.345 2.535 20 0 DFADHM Cc1ccc([C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826282706 607443747 /nfs/dbraw/zinc/44/37/47/607443747.db2.gz AWMNEOXBDXGFJO-NSHDSACASA-N -1 3 311.345 2.535 20 0 DFADHM C[C@H]1CCCCCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736782260 600448477 /nfs/dbraw/zinc/44/84/77/600448477.db2.gz BBDBLVLHXAHVRJ-ZDUSSCGKSA-N -1 3 319.405 2.657 20 0 DFADHM CC[C@](C)(NCc1coc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC000736862712 600560663 /nfs/dbraw/zinc/56/06/63/600560663.db2.gz DUGIREBVSJQUJA-INIZCTEOSA-N -1 3 304.346 2.693 20 0 DFADHM C[C@@H](C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)N1CCCCCC1 ZINC000736201873 600594231 /nfs/dbraw/zinc/59/42/31/600594231.db2.gz KPHPYZHPHCHRRN-HOCLYGCPSA-N -1 3 318.417 2.535 20 0 DFADHM O=C([O-])[C@@H](NCCOc1ccc(F)cc1)c1ccccc1F ZINC000833164896 600737321 /nfs/dbraw/zinc/73/73/21/600737321.db2.gz CVDUSVGITPTSHA-HNNXBMFYSA-N -1 3 307.296 2.759 20 0 DFADHM CC(=O)Nc1ccccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000825917283 600754931 /nfs/dbraw/zinc/75/49/31/600754931.db2.gz HTMJBIMDAIRZEG-INIZCTEOSA-N -1 3 316.332 2.700 20 0 DFADHM CN(C)Cc1cccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000737370194 600802149 /nfs/dbraw/zinc/80/21/49/600802149.db2.gz GPRLZJBOTKDOEC-INIZCTEOSA-N -1 3 324.380 2.577 20 0 DFADHM O=C([O-])c1cc(F)ccc1CN1CCC(c2ncc[nH]2)CC1 ZINC000833298711 600821844 /nfs/dbraw/zinc/82/18/44/600821844.db2.gz BXUKBOPTELBTPO-UHFFFAOYSA-N -1 3 303.337 2.627 20 0 DFADHM CC[C@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)N(CC)CC ZINC000736848872 600856983 /nfs/dbraw/zinc/85/69/83/600856983.db2.gz ODEIFZMIZUCUGD-DZGCQCFKSA-N -1 3 318.417 2.712 20 0 DFADHM C[C@H](O)CCN(C)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000827795912 601018124 /nfs/dbraw/zinc/01/81/24/601018124.db2.gz GIAASYNZBUKDDJ-UFBFGSQYSA-N -1 3 306.189 2.822 20 0 DFADHM C[C@](NCc1coc(-c2ccc(F)c(F)c2)n1)(C(=O)[O-])C1CC1 ZINC000827740651 601037210 /nfs/dbraw/zinc/03/72/10/601037210.db2.gz AGEIOBMXXIVYKZ-MRXNPFEDSA-N -1 3 322.311 2.963 20 0 DFADHM COc1ccc([C@@H]2CCCN2C/C=C(\C)C(=O)[O-])c(OC)c1 ZINC000832272927 601048945 /nfs/dbraw/zinc/04/89/45/601048945.db2.gz MBKDZMQKSBDMTD-JQVXPOPVSA-N -1 3 305.374 2.872 20 0 DFADHM C[C@@H]1CC[C@@H](C)N(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000828214375 601050497 /nfs/dbraw/zinc/05/04/97/601050497.db2.gz LRHNIARDSNHJCD-CHWSQXEVSA-N -1 3 319.405 2.513 20 0 DFADHM C/C(=C/CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1)C(=O)[O-] ZINC000825741819 601177925 /nfs/dbraw/zinc/17/79/25/601177925.db2.gz SSRAGHMSDWHKCS-ZUYFITGHSA-N -1 3 317.311 2.639 20 0 DFADHM CC(C)c1ncc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820206604 607494341 /nfs/dbraw/zinc/49/43/41/607494341.db2.gz RTBFYJAYSMMWQE-UHFFFAOYSA-N -1 3 315.358 2.666 20 0 DFADHM CC(C)c1ncc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820206604 607494343 /nfs/dbraw/zinc/49/43/43/607494343.db2.gz RTBFYJAYSMMWQE-UHFFFAOYSA-N -1 3 315.358 2.666 20 0 DFADHM CC(C)N(C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-])C(C)C ZINC000826044777 601203404 /nfs/dbraw/zinc/20/34/04/601203404.db2.gz LKIJZZVBPMCSMD-YOEHRIQHSA-N -1 3 320.433 2.683 20 0 DFADHM O=C([O-])[C@@H]1CCN(Cn2nccc2-c2ccc(F)c(Cl)c2)C1 ZINC000833191616 601206352 /nfs/dbraw/zinc/20/63/52/601206352.db2.gz RAUNBVXCFIEXPS-LLVKDONJSA-N -1 3 323.755 2.707 20 0 DFADHM CN(CCc1cccs1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830800679 601401620 /nfs/dbraw/zinc/40/16/20/601401620.db2.gz SKJXIVODWRKDCZ-UHFFFAOYSA-N -1 3 315.398 2.928 20 0 DFADHM Cn1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000833055916 601433858 /nfs/dbraw/zinc/43/38/58/601433858.db2.gz RFHFSWQXKCTXFN-ZDUSSCGKSA-N -1 3 323.190 2.703 20 0 DFADHM COc1ccc(CN2Cc3ccccc3[C@H]2C)cc1-c1nnn[n-]1 ZINC000826195600 607508954 /nfs/dbraw/zinc/50/89/54/607508954.db2.gz ZIPAZENLKPMOPT-GFCCVEGCSA-N -1 3 321.384 2.952 20 0 DFADHM COc1ccc(CN2Cc3ccccc3[C@H]2C)cc1-c1nn[n-]n1 ZINC000826195600 607508955 /nfs/dbraw/zinc/50/89/55/607508955.db2.gz ZIPAZENLKPMOPT-GFCCVEGCSA-N -1 3 321.384 2.952 20 0 DFADHM CCCNC(=O)C1(NCc2ccsc2C(=O)[O-])CCCCC1 ZINC000829507635 601485063 /nfs/dbraw/zinc/48/50/63/601485063.db2.gz DAKBUGZLTQKLMD-UHFFFAOYSA-N -1 3 324.446 2.765 20 0 DFADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000832854187 601502982 /nfs/dbraw/zinc/50/29/82/601502982.db2.gz BCBZKKJWVDWZOT-DLOVCJGASA-N -1 3 324.808 2.628 20 0 DFADHM C[C@H]1CN(CC(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000828438859 601504934 /nfs/dbraw/zinc/50/49/34/601504934.db2.gz GFFRUXPEKBGQKO-WFASDCNBSA-N -1 3 318.417 2.575 20 0 DFADHM Cc1oc(-c2ccsc2)nc1CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000833024950 601505225 /nfs/dbraw/zinc/50/52/25/601505225.db2.gz YVTLAGDEUMKKND-JOYOIKCWSA-N -1 3 306.387 2.864 20 0 DFADHM Cc1ccc(-c2nnc([C@H](C)N3C[C@H](C)[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000832908266 601507190 /nfs/dbraw/zinc/50/71/90/601507190.db2.gz HVWFSNCUHOPPCF-OBJOEFQTSA-N -1 3 315.373 2.759 20 0 DFADHM Cc1cc(C)c(NC(=O)[C@H](C)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000832876986 601529329 /nfs/dbraw/zinc/52/93/29/601529329.db2.gz GBQDXSBGTZWVEU-KKUMJFAQSA-N -1 3 318.417 2.591 20 0 DFADHM Cc1ccccc1-c1noc([C@H](C)N2C[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000832974771 601531700 /nfs/dbraw/zinc/53/17/00/601531700.db2.gz OALDRNRTRAKCAR-DYEKYZERSA-N -1 3 315.373 2.759 20 0 DFADHM Cc1ccc(-c2cnc(CN3C[C@H](C)[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000832907435 601531760 /nfs/dbraw/zinc/53/17/60/601531760.db2.gz WZFAZZOLDNWWCK-JSGCOSHPSA-N -1 3 300.358 2.803 20 0 DFADHM CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000828664846 601556285 /nfs/dbraw/zinc/55/62/85/601556285.db2.gz JFNJZSRMUVTICD-KRWDZBQOSA-N -1 3 319.357 2.540 20 0 DFADHM Cn1cc(C2CCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)cn1 ZINC000833043571 601625901 /nfs/dbraw/zinc/62/59/01/601625901.db2.gz SZBFHYXSHYGZJW-UHFFFAOYSA-N -1 3 317.364 2.637 20 0 DFADHM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000831248658 601627951 /nfs/dbraw/zinc/62/79/51/601627951.db2.gz OESVFPNCSOJRLC-CQSZACIVSA-N -1 3 319.382 2.759 20 0 DFADHM CCCCNC(=O)C1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000829395516 601807799 /nfs/dbraw/zinc/80/77/99/601807799.db2.gz GYZLQMJFWQQOSC-UHFFFAOYSA-N -1 3 324.446 2.575 20 0 DFADHM CN(C)c1ccccc1N(C)Cc1ccccc1-c1nnn[n-]1 ZINC000825883209 607528704 /nfs/dbraw/zinc/52/87/04/607528704.db2.gz DKBQCHWCWVAGPP-UHFFFAOYSA-N -1 3 308.389 2.569 20 0 DFADHM CN(C)c1ccccc1N(C)Cc1ccccc1-c1nn[n-]n1 ZINC000825883209 607528706 /nfs/dbraw/zinc/52/87/06/607528706.db2.gz DKBQCHWCWVAGPP-UHFFFAOYSA-N -1 3 308.389 2.569 20 0 DFADHM COC(=O)c1ccc([C@@H](C)N2CCC(CCC(=O)[O-])CC2)o1 ZINC000831375471 601845304 /nfs/dbraw/zinc/84/53/04/601845304.db2.gz ZCGABXNFNGGNFR-LLVKDONJSA-N -1 3 309.362 2.704 20 0 DFADHM CCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825259360 607969804 /nfs/dbraw/zinc/96/98/04/607969804.db2.gz ISUBWBLSLGEAMM-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825259360 607969805 /nfs/dbraw/zinc/96/98/05/607969805.db2.gz ISUBWBLSLGEAMM-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1csc(C)n1 ZINC000825609452 607533950 /nfs/dbraw/zinc/53/39/50/607533950.db2.gz MGORSKVQVSLELL-UHFFFAOYSA-N -1 3 317.374 2.609 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1csc(C)n1 ZINC000825609452 607533952 /nfs/dbraw/zinc/53/39/52/607533952.db2.gz MGORSKVQVSLELL-UHFFFAOYSA-N -1 3 317.374 2.609 20 0 DFADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263056853 601926842 /nfs/dbraw/zinc/92/68/42/601926842.db2.gz GCDCULBZDBKCBX-ZBEGNZNMSA-N -1 3 324.808 2.772 20 0 DFADHM CC[C@H](C)c1ccc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000263100705 601937412 /nfs/dbraw/zinc/93/74/12/601937412.db2.gz IUGTUELVDGQCCH-SCLBCKFNSA-N -1 3 318.417 2.935 20 0 DFADHM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000827134314 601944098 /nfs/dbraw/zinc/94/40/98/601944098.db2.gz QPOMFXLQJFJHNE-FZKQIMNGSA-N -1 3 318.417 2.934 20 0 DFADHM Cc1nnc([C@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)o1 ZINC000833017746 601948082 /nfs/dbraw/zinc/94/80/82/601948082.db2.gz HADDIQFGRNLGRT-JTQLQIEISA-N -1 3 307.375 2.517 20 0 DFADHM COc1c(C)cnc(CN2CCC[C@@H](CN(C)C(=O)[O-])C2)c1C ZINC000739846592 602070310 /nfs/dbraw/zinc/07/03/10/602070310.db2.gz UPGYTIHGTYCBNZ-AWEZNQCLSA-N -1 3 321.421 2.529 20 0 DFADHM CN(CCC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830751896 602246234 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/nfs/dbraw/zinc/73/96/08/607739608.db2.gz QNFZVGWTCLDEHS-CYBMUJFWSA-N -1 3 318.425 2.920 20 0 DFADHM CCCCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC000825268135 607739609 /nfs/dbraw/zinc/73/96/09/607739609.db2.gz QNFZVGWTCLDEHS-CYBMUJFWSA-N -1 3 318.425 2.920 20 0 DFADHM Cc1ccc([C@H](CNCc2ccc(C(=O)[O-])o2)N2CCCC2)o1 ZINC000833749289 605236434 /nfs/dbraw/zinc/23/64/34/605236434.db2.gz PPETXPZMMKRPJV-AWEZNQCLSA-N -1 3 318.373 2.806 20 0 DFADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCCC[C@@H]2c2cccn2C)O1 ZINC000833583523 605347120 /nfs/dbraw/zinc/34/71/20/605347120.db2.gz IMSRETPTHNTODF-XJKSGUPXSA-N -1 3 304.390 2.700 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@H]2c2cccc(C)n2)O1 ZINC000833585765 605358598 /nfs/dbraw/zinc/35/85/98/605358598.db2.gz UZNZYPRHZKVYAA-CJNGLKHVSA-N -1 3 302.374 2.674 20 0 DFADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CCc2cccc(F)c2F)C1 ZINC000833813744 605358528 /nfs/dbraw/zinc/35/85/28/605358528.db2.gz QFADPGLDSKYHSL-WCQYABFASA-N -1 3 312.360 2.875 20 0 DFADHM CC(C)(C)Oc1ccc(CNCc2c[nH]c(C(=O)[O-])c2)cn1 ZINC000833447478 605441208 /nfs/dbraw/zinc/44/12/08/605441208.db2.gz LWUFYBAQQATVSB-UHFFFAOYSA-N -1 3 303.362 2.575 20 0 DFADHM CC(C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824229167 607756547 /nfs/dbraw/zinc/75/65/47/607756547.db2.gz OSGLWJOSYUOAEP-RYUDHWBXSA-N -1 3 316.409 2.662 20 0 DFADHM CC(C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824229167 607756548 /nfs/dbraw/zinc/75/65/48/607756548.db2.gz OSGLWJOSYUOAEP-RYUDHWBXSA-N -1 3 316.409 2.662 20 0 DFADHM Cc1ccn2cc(CN[C@@H](C)C[C@H]3CCCN3C(=O)[O-])nc2c1 ZINC000830607321 605498565 /nfs/dbraw/zinc/49/85/65/605498565.db2.gz PEVSIDDERGMTGU-DZGCQCFKSA-N -1 3 316.405 2.653 20 0 DFADHM CCOc1cc(CN2CCC[C@@H](CNC(=O)[O-])C2)ccc1OC ZINC000833861816 605553381 /nfs/dbraw/zinc/55/33/81/605553381.db2.gz OAPDRGDWCXSSSX-AWEZNQCLSA-N -1 3 322.405 2.574 20 0 DFADHM O=C([O-])N1CCC[C@H](N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000834100866 605590491 /nfs/dbraw/zinc/59/04/91/605590491.db2.gz 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ZINC000834208908 605974655 /nfs/dbraw/zinc/97/46/55/605974655.db2.gz YGUHNNQUOKXZTR-QGZVFWFLSA-N -1 3 324.384 2.635 20 0 DFADHM Cn1ccnc1[C@H](NCC1(NC(=O)[O-])CCCCCC1)C1CC1 ZINC000833954560 605982901 /nfs/dbraw/zinc/98/29/01/605982901.db2.gz JZASVMFYVZATJF-CQSZACIVSA-N -1 3 320.437 2.821 20 0 DFADHM O=C([O-])N[C@H]1CCC[C@H]1NCc1csc(Br)c1 ZINC000834173451 605985896 /nfs/dbraw/zinc/98/58/96/605985896.db2.gz FMQQXMMCVSAOJY-BDAKNGLRSA-N -1 3 319.224 2.789 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@H]1NCc1ccccc1OC1CCC1 ZINC000834176516 605987672 /nfs/dbraw/zinc/98/76/72/605987672.db2.gz SJBHRELBTONKEG-HUUCEWRRSA-N -1 3 304.390 2.896 20 0 DFADHM FC(F)(F)[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC000822714450 606033962 /nfs/dbraw/zinc/03/39/62/606033962.db2.gz NFUAFPRSZBDDAE-IUCAKERBSA-N -1 3 312.299 2.795 20 0 DFADHM FC(F)(F)[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC000822714450 606033957 /nfs/dbraw/zinc/03/39/57/606033957.db2.gz NFUAFPRSZBDDAE-IUCAKERBSA-N -1 3 312.299 2.795 20 0 DFADHM CN(CCCCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000821599297 606050061 /nfs/dbraw/zinc/05/00/61/606050061.db2.gz NSCCPFAOKVAKFY-UHFFFAOYSA-N -1 3 308.389 2.721 20 0 DFADHM CN(CCCCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000821599297 606050066 /nfs/dbraw/zinc/05/00/66/606050066.db2.gz NSCCPFAOKVAKFY-UHFFFAOYSA-N -1 3 308.389 2.721 20 0 DFADHM CC(C)(C)OCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000819949929 606061772 /nfs/dbraw/zinc/06/17/72/606061772.db2.gz CTYXTTSERBLCHG-UHFFFAOYSA-N -1 3 312.377 2.642 20 0 DFADHM CC(C)(C)OCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000819949929 606061777 /nfs/dbraw/zinc/06/17/77/606061777.db2.gz CTYXTTSERBLCHG-UHFFFAOYSA-N -1 3 312.377 2.642 20 0 DFADHM c1csc(CCNc2nc3ccccc3cc2-c2nnn[n-]2)n1 ZINC000823802646 606065688 /nfs/dbraw/zinc/06/56/88/606065688.db2.gz WKKKTHMFFVQBJQ-UHFFFAOYSA-N -1 3 323.385 2.526 20 0 DFADHM c1csc(CCNc2nc3ccccc3cc2-c2nn[n-]n2)n1 ZINC000823802646 606065694 /nfs/dbraw/zinc/06/56/94/606065694.db2.gz WKKKTHMFFVQBJQ-UHFFFAOYSA-N -1 3 323.385 2.526 20 0 DFADHM c1ccc(COCCCCNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000823788303 606066797 /nfs/dbraw/zinc/06/67/97/606066797.db2.gz YDLONGGUVFUICG-UHFFFAOYSA-N -1 3 324.388 2.671 20 0 DFADHM c1ccc(COCCCCNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000823788303 606066803 /nfs/dbraw/zinc/06/68/03/606066803.db2.gz YDLONGGUVFUICG-UHFFFAOYSA-N -1 3 324.388 2.671 20 0 DFADHM Cc1[nH]c2ccccc2c1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC000822009974 606069174 /nfs/dbraw/zinc/06/91/74/606069174.db2.gz INZZQQNHECPPSS-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1[nH]c2ccccc2c1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC000822009974 606069180 /nfs/dbraw/zinc/06/91/80/606069180.db2.gz INZZQQNHECPPSS-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1ccccc1C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822351804 606078677 /nfs/dbraw/zinc/07/86/77/606078677.db2.gz RAOYKWGEERIAQF-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM Cc1ccccc1C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000822351804 606078682 /nfs/dbraw/zinc/07/86/82/606078682.db2.gz RAOYKWGEERIAQF-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM CCCCO[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821071472 606098473 /nfs/dbraw/zinc/09/84/73/606098473.db2.gz FWSCNLSJUCGFGE-UONOGXRCSA-N -1 3 316.409 2.657 20 0 DFADHM CCCCO[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821071472 606098475 /nfs/dbraw/zinc/09/84/75/606098475.db2.gz FWSCNLSJUCGFGE-UONOGXRCSA-N -1 3 316.409 2.657 20 0 DFADHM Cc1cscc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000822414665 606132148 /nfs/dbraw/zinc/13/21/48/606132148.db2.gz OZNZWKMHLNASDL-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1cscc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822414665 606132149 /nfs/dbraw/zinc/13/21/49/606132149.db2.gz OZNZWKMHLNASDL-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1cscc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822414745 606132339 /nfs/dbraw/zinc/13/23/39/606132339.db2.gz SFBZWMGPOLCHCQ-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1cscc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822414745 606132340 /nfs/dbraw/zinc/13/23/40/606132340.db2.gz SFBZWMGPOLCHCQ-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OC/C=C\c1ccccc1 ZINC000823107610 606143088 /nfs/dbraw/zinc/14/30/88/606143088.db2.gz BADUJHQVTMGWTK-UITAMQMPSA-N -1 3 320.352 2.666 20 0 DFADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OC/C=C\c1ccccc1 ZINC000823107610 606143090 /nfs/dbraw/zinc/14/30/90/606143090.db2.gz BADUJHQVTMGWTK-UITAMQMPSA-N -1 3 320.352 2.666 20 0 DFADHM FC(F)(F)c1ccc(NCc2cccnc2)c(-c2nnn[n-]2)c1 ZINC000822729211 606174944 /nfs/dbraw/zinc/17/49/44/606174944.db2.gz WCGBZELAGIKGFK-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM FC(F)(F)c1ccc(NCc2cccnc2)c(-c2nn[n-]n2)c1 ZINC000822729211 606174945 /nfs/dbraw/zinc/17/49/45/606174945.db2.gz WCGBZELAGIKGFK-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM COC[C@@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821682393 606182550 /nfs/dbraw/zinc/18/25/50/606182550.db2.gz DHKBMJYJLPGLKA-GFCCVEGCSA-N -1 3 310.357 2.947 20 0 DFADHM COC[C@@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821682393 606182551 /nfs/dbraw/zinc/18/25/51/606182551.db2.gz DHKBMJYJLPGLKA-GFCCVEGCSA-N -1 3 310.357 2.947 20 0 DFADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1cccc2ccccc21 ZINC000822665166 606208050 /nfs/dbraw/zinc/20/80/50/606208050.db2.gz JWBYKJBIXDBLTQ-UHFFFAOYSA-N -1 3 319.324 2.578 20 0 DFADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1cccc2ccccc21 ZINC000822665166 606208052 /nfs/dbraw/zinc/20/80/52/606208052.db2.gz JWBYKJBIXDBLTQ-UHFFFAOYSA-N -1 3 319.324 2.578 20 0 DFADHM COCc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821695692 606213321 /nfs/dbraw/zinc/21/33/21/606213321.db2.gz CVNJDNDFUYTHIK-UHFFFAOYSA-N -1 3 301.375 2.687 20 0 DFADHM COCc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821695692 606213322 /nfs/dbraw/zinc/21/33/22/606213322.db2.gz CVNJDNDFUYTHIK-UHFFFAOYSA-N -1 3 301.375 2.687 20 0 DFADHM Cc1nc2cc(NCc3cc(-c4nnn[n-]4)cs3)ccc2o1 ZINC000822458960 606213628 /nfs/dbraw/zinc/21/36/28/606213628.db2.gz KSHJHHJHUYRSAQ-UHFFFAOYSA-N -1 3 312.358 2.990 20 0 DFADHM Cc1nc2cc(NCc3cc(-c4nn[n-]n4)cs3)ccc2o1 ZINC000822458960 606213629 /nfs/dbraw/zinc/21/36/29/606213629.db2.gz KSHJHHJHUYRSAQ-UHFFFAOYSA-N -1 3 312.358 2.990 20 0 DFADHM Oc1ccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000823726996 606215853 /nfs/dbraw/zinc/21/58/53/606215853.db2.gz LESDIIKIGVQVFC-UHFFFAOYSA-N -1 3 315.764 2.880 20 0 DFADHM Oc1ccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000823726996 606215855 /nfs/dbraw/zinc/21/58/55/606215855.db2.gz LESDIIKIGVQVFC-UHFFFAOYSA-N -1 3 315.764 2.880 20 0 DFADHM Cc1ccc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)cn1 ZINC000822235929 606218700 /nfs/dbraw/zinc/21/87/00/606218700.db2.gz CBADPPKVFMMYFK-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1ccc(CCNc2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000822235929 606218702 /nfs/dbraw/zinc/21/87/02/606218702.db2.gz CBADPPKVFMMYFK-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM C[C@]1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623812 606243031 /nfs/dbraw/zinc/24/30/31/606243031.db2.gz ZIMWCARMIYDIDK-UKRRQHHQSA-N -1 3 321.812 2.873 20 0 DFADHM C[C@]1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623812 606243033 /nfs/dbraw/zinc/24/30/33/606243033.db2.gz ZIMWCARMIYDIDK-UKRRQHHQSA-N -1 3 321.812 2.873 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2C2CC2)c1-c1nnn[n-]1 ZINC000821465051 606245014 /nfs/dbraw/zinc/24/50/14/606245014.db2.gz AKRJJJSEQDVQEB-MNOVXSKESA-N -1 3 317.418 2.784 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC000821465051 606245015 /nfs/dbraw/zinc/24/50/15/606245015.db2.gz AKRJJJSEQDVQEB-MNOVXSKESA-N -1 3 317.418 2.784 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cccnc1Cl ZINC000821766128 606248348 /nfs/dbraw/zinc/24/83/48/606248348.db2.gz SAJXUUJLWMHKGJ-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CC(C)CCCCCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820072940 606251911 /nfs/dbraw/zinc/25/19/11/606251911.db2.gz OJFVSLGTJCRSBT-UHFFFAOYSA-N -1 3 304.398 2.531 20 0 DFADHM CC(C)CCCCCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820072940 606251909 /nfs/dbraw/zinc/25/19/09/606251909.db2.gz OJFVSLGTJCRSBT-UHFFFAOYSA-N -1 3 304.398 2.531 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000823347433 606262778 /nfs/dbraw/zinc/26/27/78/606262778.db2.gz XZGDBWRBBJJDFO-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000823347433 606262780 /nfs/dbraw/zinc/26/27/80/606262780.db2.gz XZGDBWRBBJJDFO-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CC12CCCC2 ZINC000823337127 606264084 /nfs/dbraw/zinc/26/40/84/606264084.db2.gz HGPAPDJLKIEQOC-NSHDSACASA-N -1 3 301.325 2.525 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CC12CCCC2 ZINC000823337127 606264086 /nfs/dbraw/zinc/26/40/86/606264086.db2.gz HGPAPDJLKIEQOC-NSHDSACASA-N -1 3 301.325 2.525 20 0 DFADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1cccs1 ZINC000819864959 606266376 /nfs/dbraw/zinc/26/63/76/606266376.db2.gz ANDJZJPTKJYLER-QMMMGPOBSA-N -1 3 317.349 2.810 20 0 DFADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1cccs1 ZINC000819864959 606266378 /nfs/dbraw/zinc/26/63/78/606266378.db2.gz ANDJZJPTKJYLER-QMMMGPOBSA-N -1 3 317.349 2.810 20 0 DFADHM CCCN(Cc1ccc(C)cc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821109332 606313041 /nfs/dbraw/zinc/31/30/41/606313041.db2.gz HVVAEVZPSLVCJY-UHFFFAOYSA-N -1 3 324.388 2.556 20 0 DFADHM CCCN(Cc1ccc(C)cc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821109332 606313042 /nfs/dbraw/zinc/31/30/42/606313042.db2.gz HVVAEVZPSLVCJY-UHFFFAOYSA-N -1 3 324.388 2.556 20 0 DFADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820031647 606321369 /nfs/dbraw/zinc/32/13/69/606321369.db2.gz GSOMQFLEPPUDRG-OAHLLOKOSA-N -1 3 324.388 2.664 20 0 DFADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820031647 606321370 /nfs/dbraw/zinc/32/13/70/606321370.db2.gz GSOMQFLEPPUDRG-OAHLLOKOSA-N -1 3 324.388 2.664 20 0 DFADHM C[C@@H](OC(=O)c1ccsc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519350 606339185 /nfs/dbraw/zinc/33/91/85/606339185.db2.gz SCAITUSIHAEGSK-SECBINFHSA-N -1 3 300.343 2.846 20 0 DFADHM C[C@@H](OC(=O)c1ccsc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519350 606339187 /nfs/dbraw/zinc/33/91/87/606339187.db2.gz SCAITUSIHAEGSK-SECBINFHSA-N -1 3 300.343 2.846 20 0 DFADHM C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820710416 606349009 /nfs/dbraw/zinc/34/90/09/606349009.db2.gz QGZLQXVFJOSJPW-JTQLQIEISA-N -1 3 318.356 2.660 20 0 DFADHM C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820710416 606349011 /nfs/dbraw/zinc/34/90/11/606349011.db2.gz QGZLQXVFJOSJPW-JTQLQIEISA-N -1 3 318.356 2.660 20 0 DFADHM COc1cccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821858513 606355014 /nfs/dbraw/zinc/35/50/14/606355014.db2.gz GIYYQMHRNVEDTB-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM COc1cccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821858513 606355015 /nfs/dbraw/zinc/35/50/15/606355015.db2.gz GIYYQMHRNVEDTB-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM C[C@@H](OC(=O)C=Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488390 606357486 /nfs/dbraw/zinc/35/74/86/606357486.db2.gz NLDMEEIKHKTBQW-OXFRDRNISA-N -1 3 321.340 2.579 20 0 DFADHM C[C@@H](OC(=O)C=Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488390 606357488 /nfs/dbraw/zinc/35/74/88/606357488.db2.gz NLDMEEIKHKTBQW-OXFRDRNISA-N -1 3 321.340 2.579 20 0 DFADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821835249 606411772 /nfs/dbraw/zinc/41/17/72/606411772.db2.gz GCISPUNTOZRGBC-UHFFFAOYSA-N -1 3 317.374 2.558 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@H]1C ZINC000820769346 606417718 /nfs/dbraw/zinc/41/77/18/606417718.db2.gz SQPBAVIBZLACCZ-RKDXNWHRSA-N -1 3 311.311 2.978 20 0 DFADHM CC[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1nc(C)cs1 ZINC000820925794 606418605 /nfs/dbraw/zinc/41/86/05/606418605.db2.gz MRELLHFDOPIVIM-SNVBAGLBSA-N -1 3 320.447 2.934 20 0 DFADHM OCC1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCCC1 ZINC000823713298 606432775 /nfs/dbraw/zinc/43/27/75/606432775.db2.gz GHNPQBUQCAUSQU-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM OCC1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCCC1 ZINC000823713298 606432777 /nfs/dbraw/zinc/43/27/77/606432777.db2.gz GHNPQBUQCAUSQU-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM OCC1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCCCC1 ZINC000823713294 606433156 /nfs/dbraw/zinc/43/31/56/606433156.db2.gz GEIJMXGEJMPIAO-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM OCC1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCCCC1 ZINC000823713294 606433158 /nfs/dbraw/zinc/43/31/58/606433158.db2.gz GEIJMXGEJMPIAO-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM CSc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821982750 606461557 /nfs/dbraw/zinc/46/15/57/606461557.db2.gz AGYYIDCNRLDDML-UHFFFAOYSA-N -1 3 318.383 2.869 20 0 DFADHM CSc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821982750 606461559 /nfs/dbraw/zinc/46/15/59/606461559.db2.gz AGYYIDCNRLDDML-UHFFFAOYSA-N -1 3 318.383 2.869 20 0 DFADHM Cc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000822258742 606461757 /nfs/dbraw/zinc/46/17/57/606461757.db2.gz BIMBMQZLIGZTDE-UHFFFAOYSA-N -1 3 300.343 2.764 20 0 DFADHM Cc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000822258742 606461758 /nfs/dbraw/zinc/46/17/58/606461758.db2.gz BIMBMQZLIGZTDE-UHFFFAOYSA-N -1 3 300.343 2.764 20 0 DFADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1 ZINC000820508627 606462613 /nfs/dbraw/zinc/46/26/13/606462613.db2.gz UDRCTCAFSAYXHP-QMMMGPOBSA-N -1 3 318.333 2.985 20 0 DFADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1 ZINC000820508627 606462615 /nfs/dbraw/zinc/46/26/15/606462615.db2.gz UDRCTCAFSAYXHP-QMMMGPOBSA-N -1 3 318.333 2.985 20 0 DFADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000820506443 606462876 /nfs/dbraw/zinc/46/28/76/606462876.db2.gz ACVOPESBCUCVHD-VIFPVBQESA-N -1 3 300.343 2.846 20 0 DFADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000820506443 606462879 /nfs/dbraw/zinc/46/28/79/606462879.db2.gz ACVOPESBCUCVHD-VIFPVBQESA-N -1 3 300.343 2.846 20 0 DFADHM Cc1cc(COC(=O)c2cc(-c3nnn[n-]3)cs2)c(C)s1 ZINC000822200779 606463479 /nfs/dbraw/zinc/46/34/79/606463479.db2.gz AMNTZPZEKJIOKG-UHFFFAOYSA-N -1 3 320.399 2.964 20 0 DFADHM Cc1cc(COC(=O)c2cc(-c3nn[n-]n3)cs2)c(C)s1 ZINC000822200779 606463480 /nfs/dbraw/zinc/46/34/80/606463480.db2.gz AMNTZPZEKJIOKG-UHFFFAOYSA-N -1 3 320.399 2.964 20 0 DFADHM C[C@@H](Cc1ccncc1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820301675 606478883 /nfs/dbraw/zinc/47/88/83/606478883.db2.gz ZELBNVBNOBQQDE-JTQLQIEISA-N -1 3 314.780 2.958 20 0 DFADHM C[C@@H](Cc1ccncc1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820301675 606478884 /nfs/dbraw/zinc/47/88/84/606478884.db2.gz ZELBNVBNOBQQDE-JTQLQIEISA-N -1 3 314.780 2.958 20 0 DFADHM CC1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820689734 606483474 /nfs/dbraw/zinc/48/34/74/606483474.db2.gz CPRLDYMNENGOPL-UHFFFAOYSA-N -1 3 305.407 2.579 20 0 DFADHM CC1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820689734 606483475 /nfs/dbraw/zinc/48/34/75/606483475.db2.gz CPRLDYMNENGOPL-UHFFFAOYSA-N -1 3 305.407 2.579 20 0 DFADHM Cc1ccc(C)c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822231648 606485791 /nfs/dbraw/zinc/48/57/91/606485791.db2.gz BPIDKAXOBULTPS-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM Cc1ccc(C)c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822231648 606485793 /nfs/dbraw/zinc/48/57/93/606485793.db2.gz BPIDKAXOBULTPS-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM Cc1ccc(C)c(OC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822232293 606487408 /nfs/dbraw/zinc/48/74/08/606487408.db2.gz ZYIBUZBQAVLATH-UHFFFAOYSA-N -1 3 308.341 2.632 20 0 DFADHM Cc1ccc(C)c(OC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822232293 606487409 /nfs/dbraw/zinc/48/74/09/606487409.db2.gz ZYIBUZBQAVLATH-UHFFFAOYSA-N -1 3 308.341 2.632 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820698276 606516684 /nfs/dbraw/zinc/51/66/84/606516684.db2.gz SDSQELCSTJJLQC-NXEZZACHSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820698276 606516686 /nfs/dbraw/zinc/51/66/86/606516686.db2.gz SDSQELCSTJJLQC-NXEZZACHSA-N -1 3 305.407 2.579 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)C1CCCC1 ZINC000821699648 606520598 /nfs/dbraw/zinc/52/05/98/606520598.db2.gz XXKFLHUCWPBLMR-SNVBAGLBSA-N -1 3 316.361 2.607 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)C1CCCC1 ZINC000821699648 606520600 /nfs/dbraw/zinc/52/06/00/606520600.db2.gz XXKFLHUCWPBLMR-SNVBAGLBSA-N -1 3 316.361 2.607 20 0 DFADHM C[C@@H](NC(=O)[C@H](C)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820313150 606522802 /nfs/dbraw/zinc/52/28/02/606522802.db2.gz BDYLGHJQLCYXRU-VXGBXAGGSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H](NC(=O)[C@H](C)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820313150 606522803 /nfs/dbraw/zinc/52/28/03/606522803.db2.gz BDYLGHJQLCYXRU-VXGBXAGGSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000819856371 606524034 /nfs/dbraw/zinc/52/40/34/606524034.db2.gz JJHONDMGZRZGPS-LBPRGKRZSA-N -1 3 313.405 2.651 20 0 DFADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819856371 606524035 /nfs/dbraw/zinc/52/40/35/606524035.db2.gz JJHONDMGZRZGPS-LBPRGKRZSA-N -1 3 313.405 2.651 20 0 DFADHM C[C@H]1c2ccccc2CN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820826193 606525025 /nfs/dbraw/zinc/52/50/25/606525025.db2.gz KREACRHNENCLLD-VIFPVBQESA-N -1 3 311.370 2.645 20 0 DFADHM C[C@H]1c2ccccc2CN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820826193 606525027 /nfs/dbraw/zinc/52/50/27/606525027.db2.gz KREACRHNENCLLD-VIFPVBQESA-N -1 3 311.370 2.645 20 0 DFADHM C[C@@H](N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1)C1(C)CC1 ZINC000820307839 606552517 /nfs/dbraw/zinc/55/25/17/606552517.db2.gz PINWPAACBWMXKK-JLVNDZCYSA-N -1 3 311.389 2.527 20 0 DFADHM C[C@@H](N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1)C1(C)CC1 ZINC000820307839 606552519 /nfs/dbraw/zinc/55/25/19/606552519.db2.gz PINWPAACBWMXKK-JLVNDZCYSA-N -1 3 311.389 2.527 20 0 DFADHM CC[C@@H]1CCCCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820981766 606569195 /nfs/dbraw/zinc/56/91/95/606569195.db2.gz WSZAZQGJYVXVML-OAHLLOKOSA-N -1 3 313.405 2.590 20 0 DFADHM CC[C@@H]1CCCCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820981766 606569196 /nfs/dbraw/zinc/56/91/96/606569196.db2.gz WSZAZQGJYVXVML-OAHLLOKOSA-N -1 3 313.405 2.590 20 0 DFADHM CCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000820962268 606570177 /nfs/dbraw/zinc/57/01/77/606570177.db2.gz LYKXTTPXICMFJG-UHFFFAOYSA-N -1 3 320.784 2.832 20 0 DFADHM CCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000820962268 606570178 /nfs/dbraw/zinc/57/01/78/606570178.db2.gz LYKXTTPXICMFJG-UHFFFAOYSA-N -1 3 320.784 2.832 20 0 DFADHM CCC(C)(CC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820854544 606574255 /nfs/dbraw/zinc/57/42/55/606574255.db2.gz XBEHXCDBHPGZCN-UHFFFAOYSA-N -1 3 302.382 2.875 20 0 DFADHM CCC(C)(CC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820854544 606574256 /nfs/dbraw/zinc/57/42/56/606574256.db2.gz XBEHXCDBHPGZCN-UHFFFAOYSA-N -1 3 302.382 2.875 20 0 DFADHM C[C@H](N(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1(C)CC1 ZINC000820308128 606578863 /nfs/dbraw/zinc/57/88/63/606578863.db2.gz RONHOQVOFMZSOZ-VIFPVBQESA-N -1 3 318.356 2.658 20 0 DFADHM C[C@H](N(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1(C)CC1 ZINC000820308128 606578865 /nfs/dbraw/zinc/57/88/65/606578865.db2.gz RONHOQVOFMZSOZ-VIFPVBQESA-N -1 3 318.356 2.658 20 0 DFADHM CCC1(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820967542 606588092 /nfs/dbraw/zinc/58/80/92/606588092.db2.gz QGKPSCWVVRSFJG-NSHDSACASA-N -1 3 314.393 2.560 20 0 DFADHM CCC1(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820967542 606588094 /nfs/dbraw/zinc/58/80/94/606588094.db2.gz QGKPSCWVVRSFJG-NSHDSACASA-N -1 3 314.393 2.560 20 0 DFADHM Fc1cccc(N2CCS[C@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000822791365 606594150 /nfs/dbraw/zinc/59/41/50/606594150.db2.gz HXAPKNHCVPEWBX-AAEUAGOBSA-N -1 3 319.409 2.870 20 0 DFADHM Fc1cccc(N2CCS[C@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000822791365 606594151 /nfs/dbraw/zinc/59/41/51/606594151.db2.gz HXAPKNHCVPEWBX-AAEUAGOBSA-N -1 3 319.409 2.870 20 0 DFADHM C[C@@H](OC(=O)CCc1ccoc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497891 606603892 /nfs/dbraw/zinc/60/38/92/606603892.db2.gz WODKCJHARIDGTF-LLVKDONJSA-N -1 3 312.329 2.697 20 0 DFADHM C[C@@H](OC(=O)CCc1ccoc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497891 606603893 /nfs/dbraw/zinc/60/38/93/606603893.db2.gz WODKCJHARIDGTF-LLVKDONJSA-N -1 3 312.329 2.697 20 0 DFADHM CO[C@H]1C[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1(C)C ZINC000821679299 606609523 /nfs/dbraw/zinc/60/95/23/606609523.db2.gz ZOPZXRDETVJQDL-MNOVXSKESA-N -1 3 307.785 2.746 20 0 DFADHM CO[C@H]1C[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1(C)C ZINC000821679299 606609524 /nfs/dbraw/zinc/60/95/24/606609524.db2.gz ZOPZXRDETVJQDL-MNOVXSKESA-N -1 3 307.785 2.746 20 0 DFADHM CO[C@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)C1(C)C ZINC000821678612 606609759 /nfs/dbraw/zinc/60/97/59/606609759.db2.gz QBMWLOUDSLJWHW-KGLIPLIRSA-N -1 3 324.388 2.640 20 0 DFADHM CO[C@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)C1(C)C ZINC000821678612 606609760 /nfs/dbraw/zinc/60/97/60/606609760.db2.gz QBMWLOUDSLJWHW-KGLIPLIRSA-N -1 3 324.388 2.640 20 0 DFADHM CC(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)=C1CCCC1 ZINC000819866731 606619999 /nfs/dbraw/zinc/61/99/99/606619999.db2.gz PCSDMZAMJRZRND-UHFFFAOYSA-N -1 3 301.325 2.835 20 0 DFADHM CC(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)=C1CCCC1 ZINC000819866731 606620000 /nfs/dbraw/zinc/62/00/00/606620000.db2.gz PCSDMZAMJRZRND-UHFFFAOYSA-N -1 3 301.325 2.835 20 0 DFADHM O=C1CCCc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000823530750 606625572 /nfs/dbraw/zinc/62/55/72/606625572.db2.gz QSZTYVWQDJZVLA-UHFFFAOYSA-N -1 3 319.368 2.998 20 0 DFADHM O=C1CCCc2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000823530750 606625573 /nfs/dbraw/zinc/62/55/73/606625573.db2.gz QSZTYVWQDJZVLA-UHFFFAOYSA-N -1 3 319.368 2.998 20 0 DFADHM Fc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC000822771978 606627183 /nfs/dbraw/zinc/62/71/83/606627183.db2.gz NNRPRRYRCKUFBB-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1 ZINC000822771978 606627185 /nfs/dbraw/zinc/62/71/85/606627185.db2.gz NNRPRRYRCKUFBB-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CC1(C)CCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820590306 606631693 /nfs/dbraw/zinc/63/16/93/606631693.db2.gz RUJJWZBVYUNCBK-GFCCVEGCSA-N -1 3 300.366 2.567 20 0 DFADHM CC1(C)CCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820590306 606631695 /nfs/dbraw/zinc/63/16/95/606631695.db2.gz RUJJWZBVYUNCBK-GFCCVEGCSA-N -1 3 300.366 2.567 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823358784 606632407 /nfs/dbraw/zinc/63/24/07/606632407.db2.gz FDYRMYWLMYGZGU-CHWSQXEVSA-N -1 3 312.377 2.521 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823358784 606632409 /nfs/dbraw/zinc/63/24/09/606632409.db2.gz FDYRMYWLMYGZGU-CHWSQXEVSA-N -1 3 312.377 2.521 20 0 DFADHM CC(C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)=C1CCCC1 ZINC000819883760 606635865 /nfs/dbraw/zinc/63/58/65/606635865.db2.gz MJRMBFAYFWVJFS-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM CC(C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)=C1CCCC1 ZINC000819883760 606635866 /nfs/dbraw/zinc/63/58/66/606635866.db2.gz MJRMBFAYFWVJFS-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823368481 606664086 /nfs/dbraw/zinc/66/40/86/606664086.db2.gz YCCDILNZDVOBAE-UKRRQHHQSA-N -1 3 319.368 2.684 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823368481 606664087 /nfs/dbraw/zinc/66/40/87/606664087.db2.gz YCCDILNZDVOBAE-UKRRQHHQSA-N -1 3 319.368 2.684 20 0 DFADHM CC(C)(C)CCCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819908157 606686468 /nfs/dbraw/zinc/68/64/68/606686468.db2.gz WXHRGFIPRXDZRT-UHFFFAOYSA-N -1 3 323.347 2.701 20 0 DFADHM CC(C)(C)CCCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819908157 606686469 /nfs/dbraw/zinc/68/64/69/606686469.db2.gz WXHRGFIPRXDZRT-UHFFFAOYSA-N -1 3 323.347 2.701 20 0 DFADHM Cc1ccc(COC(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000822238839 606686863 /nfs/dbraw/zinc/68/68/63/606686863.db2.gz XDGZGVQHXZZMSP-UHFFFAOYSA-N -1 3 306.372 2.655 20 0 DFADHM Cc1ccc(COC(=O)c2cc(-c3nn[n-]n3)cs2)s1 ZINC000822238839 606686864 /nfs/dbraw/zinc/68/68/64/606686864.db2.gz XDGZGVQHXZZMSP-UHFFFAOYSA-N -1 3 306.372 2.655 20 0 DFADHM Cc1ccc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822238739 606686975 /nfs/dbraw/zinc/68/69/75/606686975.db2.gz SFMQTBURDCUPPO-UHFFFAOYSA-N -1 3 314.370 2.523 20 0 DFADHM Cc1ccc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822238739 606686976 /nfs/dbraw/zinc/68/69/76/606686976.db2.gz SFMQTBURDCUPPO-UHFFFAOYSA-N -1 3 314.370 2.523 20 0 DFADHM CN(C(=O)c1cccc(-c2nnn[n-]2)c1)C1CCC(C)(C)CC1 ZINC000821574636 606691573 /nfs/dbraw/zinc/69/15/73/606691573.db2.gz PNCTUAMWTVMGEA-UHFFFAOYSA-N -1 3 313.405 2.908 20 0 DFADHM CN(C(=O)c1cccc(-c2nn[n-]n2)c1)C1CCC(C)(C)CC1 ZINC000821574636 606691574 /nfs/dbraw/zinc/69/15/74/606691574.db2.gz PNCTUAMWTVMGEA-UHFFFAOYSA-N -1 3 313.405 2.908 20 0 DFADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(C)n1 ZINC000822242131 606692952 /nfs/dbraw/zinc/69/29/52/606692952.db2.gz AREVLTVTWLXIET-NTMALXAHSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(C)n1 ZINC000822242131 606692953 /nfs/dbraw/zinc/69/29/53/606692953.db2.gz AREVLTVTWLXIET-NTMALXAHSA-N -1 3 320.356 2.530 20 0 DFADHM CC(C)[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820037320 606697137 /nfs/dbraw/zinc/69/71/37/606697137.db2.gz CGQJQJJWEXRXJM-JTQLQIEISA-N -1 3 318.356 2.516 20 0 DFADHM CC(C)[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820037320 606697138 /nfs/dbraw/zinc/69/71/38/606697138.db2.gz CGQJQJJWEXRXJM-JTQLQIEISA-N -1 3 318.356 2.516 20 0 DFADHM CCOc1ccc(COc2ccc(-c3nn[n-]n3)cc2C)nc1 ZINC000821422339 606707498 /nfs/dbraw/zinc/70/74/98/606707498.db2.gz UUCQEIMAJDTYID-UHFFFAOYSA-N -1 3 311.345 2.548 20 0 DFADHM CCc1noc(CC)c1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000821558785 606724595 /nfs/dbraw/zinc/72/45/95/606724595.db2.gz DYEQQZQMCJBRGE-UHFFFAOYSA-N -1 3 316.340 2.731 20 0 DFADHM CCc1noc(CC)c1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000821558785 606724596 /nfs/dbraw/zinc/72/45/96/606724596.db2.gz DYEQQZQMCJBRGE-UHFFFAOYSA-N -1 3 316.340 2.731 20 0 DFADHM CC1(C)C[C@@H](Nc2ncccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000820590325 606725368 /nfs/dbraw/zinc/72/53/68/606725368.db2.gz SENMITUXAPTPHW-CYBMUJFWSA-N -1 3 322.372 2.976 20 0 DFADHM CC1(C)C[C@@H](Nc2ncccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000820590325 606725370 /nfs/dbraw/zinc/72/53/70/606725370.db2.gz SENMITUXAPTPHW-CYBMUJFWSA-N -1 3 322.372 2.976 20 0 DFADHM CC[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC000820988852 606727358 /nfs/dbraw/zinc/72/73/58/606727358.db2.gz HUIGBCNJVDSIRN-GFCCVEGCSA-N -1 3 308.389 2.960 20 0 DFADHM CC[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC000820988852 606727360 /nfs/dbraw/zinc/72/73/60/606727360.db2.gz HUIGBCNJVDSIRN-GFCCVEGCSA-N -1 3 308.389 2.960 20 0 DFADHM Clc1cc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)ccc1-c1nnn[n-]1 ZINC000822567951 606729386 /nfs/dbraw/zinc/72/93/86/606729386.db2.gz JIZSTTCQNGEUTQ-MRVWCRGKSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1cc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)ccc1-c1nn[n-]n1 ZINC000822567951 606729387 /nfs/dbraw/zinc/72/93/87/606729387.db2.gz JIZSTTCQNGEUTQ-MRVWCRGKSA-N -1 3 319.796 2.890 20 0 DFADHM CC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000820577774 606734086 /nfs/dbraw/zinc/73/40/86/606734086.db2.gz UVCKHLDOTGBOIL-UHFFFAOYSA-N -1 3 311.267 2.624 20 0 DFADHM CC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000820577774 606734088 /nfs/dbraw/zinc/73/40/88/606734088.db2.gz UVCKHLDOTGBOIL-UHFFFAOYSA-N -1 3 311.267 2.624 20 0 DFADHM CCC1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCCC1 ZINC000820945737 606790407 /nfs/dbraw/zinc/79/04/07/606790407.db2.gz URFRTGSQJRGZGD-UHFFFAOYSA-N -1 3 303.341 2.915 20 0 DFADHM CCC1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC000820945737 606790409 /nfs/dbraw/zinc/79/04/09/606790409.db2.gz URFRTGSQJRGZGD-UHFFFAOYSA-N -1 3 303.341 2.915 20 0 DFADHM Cc1nc(N(C)Cc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000822449930 606798337 /nfs/dbraw/zinc/79/83/37/606798337.db2.gz VKJGLNVWTMYFIE-UHFFFAOYSA-N -1 3 300.391 2.576 20 0 DFADHM Cc1nc(N(C)Cc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000822449930 606798339 /nfs/dbraw/zinc/79/83/39/606798339.db2.gz VKJGLNVWTMYFIE-UHFFFAOYSA-N -1 3 300.391 2.576 20 0 DFADHM CCCC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC000821044292 606816885 /nfs/dbraw/zinc/81/68/85/606816885.db2.gz YPUVFECIQRXLFX-OAHLLOKOSA-N -1 3 313.405 2.955 20 0 DFADHM CCCC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC000821044292 606816886 /nfs/dbraw/zinc/81/68/86/606816886.db2.gz YPUVFECIQRXLFX-OAHLLOKOSA-N -1 3 313.405 2.955 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820979333 606835943 /nfs/dbraw/zinc/83/59/43/606835943.db2.gz GZGANSIBVVNNSW-BXKDBHETSA-N -1 3 318.356 2.706 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820979333 606835944 /nfs/dbraw/zinc/83/59/44/606835944.db2.gz GZGANSIBVVNNSW-BXKDBHETSA-N -1 3 318.356 2.706 20 0 DFADHM c1cn(C2CCCC2)nc1COc1ccc(-c2nn[n-]n2)cc1 ZINC000823743118 606838491 /nfs/dbraw/zinc/83/84/91/606838491.db2.gz TYCSKJUNUWNCMS-UHFFFAOYSA-N -1 3 310.361 2.757 20 0 DFADHM CC(C)=C(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820004823 606847316 /nfs/dbraw/zinc/84/73/16/606847316.db2.gz DPYUADVTRYHRGE-UHFFFAOYSA-N -1 3 302.382 2.718 20 0 DFADHM CC(C)=C(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820004823 606847317 /nfs/dbraw/zinc/84/73/17/606847317.db2.gz DPYUADVTRYHRGE-UHFFFAOYSA-N -1 3 302.382 2.718 20 0 DFADHM CSCCCSCCOc1ccccc1-c1nnn[n-]1 ZINC000821970428 606849296 /nfs/dbraw/zinc/84/92/96/606849296.db2.gz NUABVTAEQMWIMB-UHFFFAOYSA-N -1 3 310.448 2.732 20 0 DFADHM CSCCCSCCOc1ccccc1-c1nn[n-]n1 ZINC000821970428 606849297 /nfs/dbraw/zinc/84/92/97/606849297.db2.gz NUABVTAEQMWIMB-UHFFFAOYSA-N -1 3 310.448 2.732 20 0 DFADHM c1ccc(Oc2ncccc2-c2nnn[n-]2)c(NCC2CC2)c1 ZINC000823792469 606865074 /nfs/dbraw/zinc/86/50/74/606865074.db2.gz UKIHFTHEORYVBB-UHFFFAOYSA-N -1 3 308.345 2.876 20 0 DFADHM Fc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)nc1 ZINC000822771766 606882314 /nfs/dbraw/zinc/88/23/14/606882314.db2.gz MFQISSUDRSRRQZ-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM Fc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)nc1 ZINC000822771766 606882316 /nfs/dbraw/zinc/88/23/16/606882316.db2.gz MFQISSUDRSRRQZ-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM Cc1cccc(N(C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822308285 606887641 /nfs/dbraw/zinc/88/76/41/606887641.db2.gz BTKLJHWNRDIBPS-QGZVFWFLSA-N -1 3 323.400 2.653 20 0 DFADHM Cc1cccc(N(C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822308285 606887643 /nfs/dbraw/zinc/88/76/43/606887643.db2.gz BTKLJHWNRDIBPS-QGZVFWFLSA-N -1 3 323.400 2.653 20 0 DFADHM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@H]1C ZINC000820767107 606939421 /nfs/dbraw/zinc/93/94/21/606939421.db2.gz GEPKONPAGJYOQU-RKDXNWHRSA-N -1 3 311.311 2.978 20 0 DFADHM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H]1C ZINC000820767107 606939422 /nfs/dbraw/zinc/93/94/22/606939422.db2.gz GEPKONPAGJYOQU-RKDXNWHRSA-N -1 3 311.311 2.978 20 0 DFADHM CCc1nnc(S[C@@H](C)C(C)C)c(-c2nnn[n-]2)c1CC ZINC000821548003 606940710 /nfs/dbraw/zinc/94/07/10/606940710.db2.gz FWGVLYMVXKUYNE-VIFPVBQESA-N -1 3 306.439 2.918 20 0 DFADHM CCc1nnc(S[C@@H](C)C(C)C)c(-c2nn[n-]n2)c1CC ZINC000821548003 606940711 /nfs/dbraw/zinc/94/07/11/606940711.db2.gz FWGVLYMVXKUYNE-VIFPVBQESA-N -1 3 306.439 2.918 20 0 DFADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820235064 606944603 /nfs/dbraw/zinc/94/46/03/606944603.db2.gz QXEXGQYSQOJLDV-MLGOLLRUSA-N -1 3 309.373 2.791 20 0 DFADHM Cc1nc(C)c(F)c(Sc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822431571 606945228 /nfs/dbraw/zinc/94/52/28/606945228.db2.gz ANPLCXRMPVDVIV-UHFFFAOYSA-N -1 3 302.338 2.564 20 0 DFADHM Cc1nc(C)c(F)c(Sc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822431571 606945229 /nfs/dbraw/zinc/94/52/29/606945229.db2.gz ANPLCXRMPVDVIV-UHFFFAOYSA-N -1 3 302.338 2.564 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820950648 606950505 /nfs/dbraw/zinc/95/05/05/606950505.db2.gz PQVXUKXRIOWFKG-HNNXBMFYSA-N -1 3 300.366 2.521 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820950648 606950506 /nfs/dbraw/zinc/95/05/06/606950506.db2.gz PQVXUKXRIOWFKG-HNNXBMFYSA-N -1 3 300.366 2.521 20 0 DFADHM CS/C=C\C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000821956010 606955336 /nfs/dbraw/zinc/95/53/36/606955336.db2.gz FFAIIORUAPPZLJ-SREVYHEPSA-N -1 3 321.431 2.622 20 0 DFADHM CSC=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000821956010 606955334 /nfs/dbraw/zinc/95/53/34/606955334.db2.gz FFAIIORUAPPZLJ-SREVYHEPSA-N -1 3 321.431 2.622 20 0 DFADHM CN(C(=O)C=C1CCC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569426 606960961 /nfs/dbraw/zinc/96/09/61/606960961.db2.gz JXVTYWMIJFJBDF-UHFFFAOYSA-N -1 3 303.753 2.593 20 0 DFADHM CN(C(=O)C=C1CCC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569426 606960963 /nfs/dbraw/zinc/96/09/63/606960963.db2.gz JXVTYWMIJFJBDF-UHFFFAOYSA-N -1 3 303.753 2.593 20 0 DFADHM CCC(C)(C)CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820847648 607001472 /nfs/dbraw/zinc/00/14/72/607001472.db2.gz IGMCSCZJCHRXHG-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CCC(C)(C)CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820847648 607001474 /nfs/dbraw/zinc/00/14/74/607001474.db2.gz IGMCSCZJCHRXHG-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM Fc1cccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c1F ZINC000822771732 607008345 /nfs/dbraw/zinc/00/83/45/607008345.db2.gz KTPWULCWGMVLLJ-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1cccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c1F ZINC000822771732 607008347 /nfs/dbraw/zinc/00/83/47/607008347.db2.gz KTPWULCWGMVLLJ-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CC=C(C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)CC ZINC000820833171 607017269 /nfs/dbraw/zinc/01/72/69/607017269.db2.gz SPDIXKIJQYKPHS-XJYLAGHESA-N -1 3 313.361 2.726 20 0 DFADHM CC=C(C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)CC ZINC000820833171 607017270 /nfs/dbraw/zinc/01/72/70/607017270.db2.gz SPDIXKIJQYKPHS-XJYLAGHESA-N -1 3 313.361 2.726 20 0 DFADHM Cc1cn(Cc2cccc(Br)c2)cc1-c1nn[n-]n1 ZINC000822384332 607021901 /nfs/dbraw/zinc/02/19/01/607021901.db2.gz JUNKOFPKPLCVAM-UHFFFAOYSA-N -1 3 318.178 2.787 20 0 DFADHM Cc1cn(Cc2cccc(Br)c2)cc1-c1nnn[n-]1 ZINC000822384332 607021900 /nfs/dbraw/zinc/02/19/00/607021900.db2.gz JUNKOFPKPLCVAM-UHFFFAOYSA-N -1 3 318.178 2.787 20 0 DFADHM Cc1cc(CSCc2cc(F)ccc2-c2nnn[n-]2)no1 ZINC000822200986 607033177 /nfs/dbraw/zinc/03/31/77/607033177.db2.gz LXXQHGAAODIJCR-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM Cc1cc(CSCc2cc(F)ccc2-c2nn[n-]n2)no1 ZINC000822200986 607033179 /nfs/dbraw/zinc/03/31/79/607033179.db2.gz LXXQHGAAODIJCR-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM CCC(CC)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820893044 607034703 /nfs/dbraw/zinc/03/47/03/607034703.db2.gz IMUZWRUNYGVYKH-UHFFFAOYSA-N -1 3 303.366 2.640 20 0 DFADHM CCC(CC)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820893044 607034701 /nfs/dbraw/zinc/03/47/01/607034701.db2.gz IMUZWRUNYGVYKH-UHFFFAOYSA-N -1 3 303.366 2.640 20 0 DFADHM Cc1nnc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822510126 607035193 /nfs/dbraw/zinc/03/51/93/607035193.db2.gz JWJMHDGQFCNJPA-MRVPVSSYSA-N -1 3 302.363 2.553 20 0 DFADHM Cc1nnc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822510126 607035194 /nfs/dbraw/zinc/03/51/94/607035194.db2.gz JWJMHDGQFCNJPA-MRVPVSSYSA-N -1 3 302.363 2.553 20 0 DFADHM CCCC1(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCC1 ZINC000821026820 607042656 /nfs/dbraw/zinc/04/26/56/607042656.db2.gz CXEVPERGLSAJSH-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM CCCC1(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCC1 ZINC000821026820 607042659 /nfs/dbraw/zinc/04/26/59/607042659.db2.gz CXEVPERGLSAJSH-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM Fc1ccc2c(c1)N(Cc1cc(F)ccc1-c1nnn[n-]1)CC2 ZINC000822758131 607061583 /nfs/dbraw/zinc/06/15/83/607061583.db2.gz JSAUBYAKZMTIPE-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc2c(c1)N(Cc1cc(F)ccc1-c1nn[n-]n1)CC2 ZINC000822758131 607061585 /nfs/dbraw/zinc/06/15/85/607061585.db2.gz JSAUBYAKZMTIPE-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821009010 607080459 /nfs/dbraw/zinc/08/04/59/607080459.db2.gz MUUUURHMUBXUMN-JXMROGBWSA-N -1 3 304.325 2.795 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821009010 607080460 /nfs/dbraw/zinc/08/04/60/607080460.db2.gz MUUUURHMUBXUMN-JXMROGBWSA-N -1 3 304.325 2.795 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000820676023 607085448 /nfs/dbraw/zinc/08/54/48/607085448.db2.gz LIWZVLJHQQKCGE-UEUZTHOGSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC000820676023 607085450 /nfs/dbraw/zinc/08/54/50/607085450.db2.gz LIWZVLJHQQKCGE-UEUZTHOGSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820683893 607087184 /nfs/dbraw/zinc/08/71/84/607087184.db2.gz JBFOZYJHHJGFPF-GHMZBOCLSA-N -1 3 317.368 2.795 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820683893 607087186 /nfs/dbraw/zinc/08/71/86/607087186.db2.gz JBFOZYJHHJGFPF-GHMZBOCLSA-N -1 3 317.368 2.795 20 0 DFADHM CCC(CC)CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820893544 607091052 /nfs/dbraw/zinc/09/10/52/607091052.db2.gz QJDZBCZFXHJIFL-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CCC(CC)CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820893544 607091054 /nfs/dbraw/zinc/09/10/54/607091054.db2.gz QJDZBCZFXHJIFL-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CCC(=CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)CC ZINC000820831770 607091571 /nfs/dbraw/zinc/09/15/71/607091571.db2.gz CECOMSFBWQTPIB-UHFFFAOYSA-N -1 3 304.325 2.795 20 0 DFADHM CCC(=CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)CC ZINC000820831770 607091573 /nfs/dbraw/zinc/09/15/73/607091573.db2.gz CECOMSFBWQTPIB-UHFFFAOYSA-N -1 3 304.325 2.795 20 0 DFADHM CCCC1(C(=O)OCc2ccccc2-c2nnn[n-]2)CCC1 ZINC000821026872 607091835 /nfs/dbraw/zinc/09/18/35/607091835.db2.gz FQYWOFDKPJANKT-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM CCCC1(C(=O)OCc2ccccc2-c2nn[n-]n2)CCC1 ZINC000821026872 607091836 /nfs/dbraw/zinc/09/18/36/607091836.db2.gz FQYWOFDKPJANKT-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1CCCC1 ZINC000821293268 607101537 /nfs/dbraw/zinc/10/15/37/607101537.db2.gz JGAMCYDISPXSEM-UHFFFAOYSA-N -1 3 314.393 2.817 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccco1 ZINC000821293381 607101590 /nfs/dbraw/zinc/10/15/90/607101590.db2.gz KYQMHWKSWYEYRZ-VURMDHGXSA-N -1 3 324.344 2.543 20 0 DFADHM CC=C(C=CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)CC ZINC000820832559 607119536 /nfs/dbraw/zinc/11/95/36/607119536.db2.gz LGQIDNYSLVWPIP-MJYGYMJXSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)CC ZINC000820832559 607119537 /nfs/dbraw/zinc/11/95/37/607119537.db2.gz LGQIDNYSLVWPIP-MJYGYMJXSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)CC ZINC000820832558 607119667 /nfs/dbraw/zinc/11/96/67/607119667.db2.gz LGQIDNYSLVWPIP-GQHUZBHDSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)CC ZINC000820832558 607119669 /nfs/dbraw/zinc/11/96/69/607119669.db2.gz LGQIDNYSLVWPIP-GQHUZBHDSA-N -1 3 316.336 2.962 20 0 DFADHM CCc1cc(C)c(C(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000821470996 607235477 /nfs/dbraw/zinc/23/54/77/607235477.db2.gz UDKMMVSUTLTJHW-UHFFFAOYSA-N -1 3 303.347 2.644 20 0 DFADHM CCc1cc(C)c(C(=O)Nc2sccc2-c2nn[n-]n2)o1 ZINC000821470996 607235478 /nfs/dbraw/zinc/23/54/78/607235478.db2.gz UDKMMVSUTLTJHW-UHFFFAOYSA-N -1 3 303.347 2.644 20 0 DFADHM CC(F)(F)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820307809 607241251 /nfs/dbraw/zinc/24/12/51/607241251.db2.gz OWPAVOUFOSRWRL-UHFFFAOYSA-N -1 3 315.711 2.894 20 0 DFADHM CC(F)(F)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820307809 607241252 /nfs/dbraw/zinc/24/12/52/607241252.db2.gz OWPAVOUFOSRWRL-UHFFFAOYSA-N -1 3 315.711 2.894 20 0 DFADHM O=C(CCC(F)(F)F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822950227 607242991 /nfs/dbraw/zinc/24/29/91/607242991.db2.gz FZPPLBYHCNNSMF-UHFFFAOYSA-N -1 3 319.674 2.801 20 0 DFADHM O=C(CCC(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822950227 607242992 /nfs/dbraw/zinc/24/29/92/607242992.db2.gz FZPPLBYHCNNSMF-UHFFFAOYSA-N -1 3 319.674 2.801 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820055918 607246739 /nfs/dbraw/zinc/24/67/39/607246739.db2.gz LOVLHLADPJGRCY-SNVBAGLBSA-N -1 3 306.341 2.984 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820055918 607246740 /nfs/dbraw/zinc/24/67/40/607246740.db2.gz LOVLHLADPJGRCY-SNVBAGLBSA-N -1 3 306.341 2.984 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820677276 607247847 /nfs/dbraw/zinc/24/78/47/607247847.db2.gz QGXYJNPDWFENJJ-CBFJXKFUSA-N -1 3 302.309 2.658 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820677276 607247848 /nfs/dbraw/zinc/24/78/48/607247848.db2.gz QGXYJNPDWFENJJ-CBFJXKFUSA-N -1 3 302.309 2.658 20 0 DFADHM CN(C(=O)C=Cc1ccccc1F)c1ccccc1-c1nnn[n-]1 ZINC000825812547 607786488 /nfs/dbraw/zinc/78/64/88/607786488.db2.gz MHOJXZQAPAXNJI-ZHACJKMWSA-N -1 3 323.331 2.682 20 0 DFADHM CN(C(=O)C=Cc1ccccc1F)c1ccccc1-c1nn[n-]n1 ZINC000825812547 607786489 /nfs/dbraw/zinc/78/64/89/607786489.db2.gz MHOJXZQAPAXNJI-ZHACJKMWSA-N -1 3 323.331 2.682 20 0 DFADHM CCc1oc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1C ZINC000825777591 607788229 /nfs/dbraw/zinc/78/82/29/607788229.db2.gz ZBLHYRDQAKFTFJ-UHFFFAOYSA-N -1 3 311.345 2.607 20 0 DFADHM CCc1oc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1C ZINC000825777591 607788230 /nfs/dbraw/zinc/78/82/30/607788230.db2.gz ZBLHYRDQAKFTFJ-UHFFFAOYSA-N -1 3 311.345 2.607 20 0 DFADHM CCN(C(=O)c1ccc(C)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380878 607800046 /nfs/dbraw/zinc/80/00/46/607800046.db2.gz WPKILWJCOHSYSW-UHFFFAOYSA-N -1 3 322.372 2.545 20 0 DFADHM CCN(C(=O)c1ccc(C)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380878 607800047 /nfs/dbraw/zinc/80/00/47/607800047.db2.gz WPKILWJCOHSYSW-UHFFFAOYSA-N -1 3 322.372 2.545 20 0 DFADHM CC(C)[C@H](O)C(C)(C)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824199647 607819927 /nfs/dbraw/zinc/81/99/27/607819927.db2.gz KQQYZILQYLBUSU-ZDUSSCGKSA-N -1 3 323.828 2.975 20 0 DFADHM CC(C)[C@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824199647 607819928 /nfs/dbraw/zinc/81/99/28/607819928.db2.gz KQQYZILQYLBUSU-ZDUSSCGKSA-N -1 3 323.828 2.975 20 0 DFADHM CC1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824788897 607821359 /nfs/dbraw/zinc/82/13/59/607821359.db2.gz DGIGVNQZKAFXEB-NSHDSACASA-N -1 3 324.388 2.784 20 0 DFADHM CC1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824788897 607821360 /nfs/dbraw/zinc/82/13/60/607821360.db2.gz DGIGVNQZKAFXEB-NSHDSACASA-N -1 3 324.388 2.784 20 0 DFADHM CCN(CC)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825406032 607833230 /nfs/dbraw/zinc/83/32/30/607833230.db2.gz HCLXIHRUKVDRAX-UHFFFAOYSA-N -1 3 314.176 2.656 20 0 DFADHM Clc1cccc(CCNc2cnccc2-c2nnn[n-]2)c1 ZINC000826353400 607838908 /nfs/dbraw/zinc/83/89/08/607838908.db2.gz NMLZSRNDYZRKPV-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1cccc(CCNc2cnccc2-c2nn[n-]n2)c1 ZINC000826353400 607838909 /nfs/dbraw/zinc/83/89/09/607838909.db2.gz NMLZSRNDYZRKPV-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Cc1cc(CSc2ccc(-c3nnn[n-]3)cc2Cl)nn1C ZINC000826267371 607845578 /nfs/dbraw/zinc/84/55/78/607845578.db2.gz CIGGGXHLVJVEIC-UHFFFAOYSA-N -1 3 320.809 2.854 20 0 DFADHM Cc1cc(CSc2ccc(-c3nn[n-]n3)cc2Cl)nn1C ZINC000826267371 607845579 /nfs/dbraw/zinc/84/55/79/607845579.db2.gz CIGGGXHLVJVEIC-UHFFFAOYSA-N -1 3 320.809 2.854 20 0 DFADHM CCOc1ccccc1N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825654168 607862068 /nfs/dbraw/zinc/86/20/68/607862068.db2.gz QELMDIURUDMRLS-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCOc1ccccc1N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825654168 607862069 /nfs/dbraw/zinc/86/20/69/607862069.db2.gz QELMDIURUDMRLS-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CC1(C)CCC[C@@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824801377 607881066 /nfs/dbraw/zinc/88/10/66/607881066.db2.gz FBEAOWALPNMJIX-CQSZACIVSA-N -1 3 313.405 2.699 20 0 DFADHM CC1(C)CCC[C@@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824801377 607881067 /nfs/dbraw/zinc/88/10/67/607881067.db2.gz FBEAOWALPNMJIX-CQSZACIVSA-N -1 3 313.405 2.699 20 0 DFADHM Cc1ccc(-c2cnc(Cn3ccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000826273400 607890996 /nfs/dbraw/zinc/89/09/96/607890996.db2.gz BVSMMBAFILNKOS-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1ccc(-c2cnc(Cn3ccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000826273400 607890997 /nfs/dbraw/zinc/89/09/97/607890997.db2.gz BVSMMBAFILNKOS-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Fc1ccccc1-c1cnc(Cn2ccc(-c3nnn[n-]3)c2)o1 ZINC000826378142 607891056 /nfs/dbraw/zinc/89/10/56/607891056.db2.gz XITYLGUEZMQXAH-UHFFFAOYSA-N -1 3 310.292 2.511 20 0 DFADHM Fc1ccccc1-c1cnc(Cn2ccc(-c3nn[n-]n3)c2)o1 ZINC000826378142 607891057 /nfs/dbraw/zinc/89/10/57/607891057.db2.gz XITYLGUEZMQXAH-UHFFFAOYSA-N -1 3 310.292 2.511 20 0 DFADHM c1cn(CCOc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000826523212 607892109 /nfs/dbraw/zinc/89/21/09/607892109.db2.gz FLWCJUZPKPGNCY-UHFFFAOYSA-N -1 3 305.341 2.900 20 0 DFADHM c1cn(CCOc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000826523212 607892110 /nfs/dbraw/zinc/89/21/10/607892110.db2.gz FLWCJUZPKPGNCY-UHFFFAOYSA-N -1 3 305.341 2.900 20 0 DFADHM Cc1cc(N2CCCC2)ccc1Nc1cccc(-c2nnn[n-]2)n1 ZINC000826269615 607894876 /nfs/dbraw/zinc/89/48/76/607894876.db2.gz RJYKIWKHUYIHHD-UHFFFAOYSA-N -1 3 321.388 2.914 20 0 DFADHM O=C(NCC12CCC(CC1)C2)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826434684 607932044 /nfs/dbraw/zinc/93/20/44/607932044.db2.gz UXGGZRHDWWDETL-UHFFFAOYSA-N -1 3 312.377 2.569 20 0 DFADHM O=C(NCC12CCC(CC1)C2)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826434684 607932045 /nfs/dbraw/zinc/93/20/45/607932045.db2.gz UXGGZRHDWWDETL-UHFFFAOYSA-N -1 3 312.377 2.569 20 0 DFADHM COc1cc(C)nc(CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826178813 607932635 /nfs/dbraw/zinc/93/26/35/607932635.db2.gz NMFPFLSGXQEAMA-UHFFFAOYSA-N -1 3 313.386 2.871 20 0 DFADHM COc1cc(C)nc(CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826178813 607932636 /nfs/dbraw/zinc/93/26/36/607932636.db2.gz NMFPFLSGXQEAMA-UHFFFAOYSA-N -1 3 313.386 2.871 20 0 DFADHM Cc1ccc(C)c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826284512 607946514 /nfs/dbraw/zinc/94/65/14/607946514.db2.gz WAYWIKUAJLIMPH-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM Cc1ccc(C)c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826284512 607946515 /nfs/dbraw/zinc/94/65/15/607946515.db2.gz WAYWIKUAJLIMPH-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM CS[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826225068 607962249 /nfs/dbraw/zinc/96/22/49/607962249.db2.gz SGRUIZLHWKCVID-SSDOTTSWSA-N -1 3 311.798 2.600 20 0 DFADHM CS[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826225068 607962250 /nfs/dbraw/zinc/96/22/50/607962250.db2.gz SGRUIZLHWKCVID-SSDOTTSWSA-N -1 3 311.798 2.600 20 0 DFADHM CCC[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000825260021 607969815 /nfs/dbraw/zinc/96/98/15/607969815.db2.gz MCWMEQYTEDALEA-SNVBAGLBSA-N -1 3 307.785 2.525 20 0 DFADHM CCC[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000825260021 607969816 /nfs/dbraw/zinc/96/98/16/607969816.db2.gz MCWMEQYTEDALEA-SNVBAGLBSA-N -1 3 307.785 2.525 20 0 DFADHM CC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000824024732 607982438 /nfs/dbraw/zinc/98/24/38/607982438.db2.gz NBJCYXDAVSGKGL-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000824024732 607982439 /nfs/dbraw/zinc/98/24/39/607982439.db2.gz NBJCYXDAVSGKGL-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2Br)[C@H]1C ZINC000824961859 608050592 /nfs/dbraw/zinc/05/05/92/608050592.db2.gz KDDKEFCQWBIFCP-IUCAKERBSA-N -1 3 322.210 2.864 20 0 DFADHM C[C@H](SCCn1ccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757428 608055401 /nfs/dbraw/zinc/05/54/01/608055401.db2.gz WLTBHTVSTHSVHY-NSHDSACASA-N -1 3 300.391 2.558 20 0 DFADHM CCC(CC)[C@H](C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000825097327 608059045 /nfs/dbraw/zinc/05/90/45/608059045.db2.gz VOSQROMMVVASAP-JTQLQIEISA-N -1 3 319.384 2.694 20 0 DFADHM CCC(CC)[C@H](C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000825097327 608059046 /nfs/dbraw/zinc/05/90/46/608059046.db2.gz VOSQROMMVVASAP-JTQLQIEISA-N -1 3 319.384 2.694 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000826278329 608078926 /nfs/dbraw/zinc/07/89/26/608078926.db2.gz YBRFDZJZUUXGEJ-JQWIXIFHSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000826278329 608078927 /nfs/dbraw/zinc/07/89/27/608078927.db2.gz YBRFDZJZUUXGEJ-JQWIXIFHSA-N -1 3 314.393 2.827 20 0 DFADHM C[C@@H](Nc1nc2ccccc2n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000824662880 608097760 /nfs/dbraw/zinc/09/77/60/608097760.db2.gz SVDJNBAJKZVLFX-LLVKDONJSA-N -1 3 319.372 2.927 20 0 DFADHM C[C@H]1CCc2ccccc2[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824966997 608099259 /nfs/dbraw/zinc/09/92/59/608099259.db2.gz GKPGTMQPDJBKIE-MEDUHNTESA-N -1 3 306.373 2.997 20 0 DFADHM C[C@H]1CCc2ccccc2[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824966997 608099260 /nfs/dbraw/zinc/09/92/60/608099260.db2.gz GKPGTMQPDJBKIE-MEDUHNTESA-N -1 3 306.373 2.997 20 0 DFADHM Cc1ccc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000826288384 608137675 /nfs/dbraw/zinc/13/76/75/608137675.db2.gz FCOFXJRKXVZFPA-SNVBAGLBSA-N -1 3 301.325 2.758 20 0 DFADHM Cc1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000826288384 608137676 /nfs/dbraw/zinc/13/76/76/608137676.db2.gz FCOFXJRKXVZFPA-SNVBAGLBSA-N -1 3 301.325 2.758 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000826244458 608140037 /nfs/dbraw/zinc/14/00/37/608140037.db2.gz TWGVEGGGKMVQLA-LLVKDONJSA-N -1 3 313.405 2.683 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000826244458 608140038 /nfs/dbraw/zinc/14/00/38/608140038.db2.gz TWGVEGGGKMVQLA-LLVKDONJSA-N -1 3 313.405 2.683 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CC12CCCCC2 ZINC000826401951 608164954 /nfs/dbraw/zinc/16/49/54/608164954.db2.gz JZGUOZAOCRCPJJ-HVHJFMEUSA-N -1 3 323.400 2.719 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CC12CCCCC2 ZINC000826401951 608164955 /nfs/dbraw/zinc/16/49/55/608164955.db2.gz JZGUOZAOCRCPJJ-HVHJFMEUSA-N -1 3 323.400 2.719 20 0 DFADHM CC(C)C[C@@H](C)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824230016 608179397 /nfs/dbraw/zinc/17/93/97/608179397.db2.gz XWNHACLOMKDUGJ-MRVPVSSYSA-N -1 3 310.304 2.736 20 0 DFADHM CC(C)C[C@@H](C)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824230016 608179399 /nfs/dbraw/zinc/17/93/99/608179399.db2.gz XWNHACLOMKDUGJ-MRVPVSSYSA-N -1 3 310.304 2.736 20 0 DFADHM CO[C@H]1C[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C1(C)C ZINC000826144358 608231827 /nfs/dbraw/zinc/23/18/27/608231827.db2.gz HJXHCYWYKIKBPC-KGLIPLIRSA-N -1 3 324.388 2.640 20 0 DFADHM CO[C@H]1C[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C1(C)C ZINC000826144358 608231829 /nfs/dbraw/zinc/23/18/29/608231829.db2.gz HJXHCYWYKIKBPC-KGLIPLIRSA-N -1 3 324.388 2.640 20 0 DFADHM c1cc2nc(N3CC[C@H](C4CC4)C3)ccc2cc1-c1nnn[n-]1 ZINC000826518468 608235790 /nfs/dbraw/zinc/23/57/90/608235790.db2.gz OQIYYXAHBSPXQI-AWEZNQCLSA-N -1 3 306.373 2.651 20 0 DFADHM c1cc2nc(N3CC[C@H](C4CC4)C3)ccc2cc1-c1nn[n-]n1 ZINC000826518468 608235792 /nfs/dbraw/zinc/23/57/92/608235792.db2.gz OQIYYXAHBSPXQI-AWEZNQCLSA-N -1 3 306.373 2.651 20 0 DFADHM CC(C)[C@@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824213438 608242356 /nfs/dbraw/zinc/24/23/56/608242356.db2.gz BFBWKFRMQSFQPY-PWSUYJOCSA-N -1 3 322.800 2.531 20 0 DFADHM CC(C)[C@@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824213438 608242358 /nfs/dbraw/zinc/24/23/58/608242358.db2.gz BFBWKFRMQSFQPY-PWSUYJOCSA-N -1 3 322.800 2.531 20 0 DFADHM CC(C)[C@@H]1C[C@H](Nc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000824215286 608242503 /nfs/dbraw/zinc/24/25/03/608242503.db2.gz JZYXDVWXSVRXJP-RISCZKNCSA-N -1 3 305.357 2.621 20 0 DFADHM CC(C)[C@@H]1C[C@H](Nc2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824215286 608242505 /nfs/dbraw/zinc/24/25/05/608242505.db2.gz JZYXDVWXSVRXJP-RISCZKNCSA-N -1 3 305.357 2.621 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000825192732 608246079 /nfs/dbraw/zinc/24/60/79/608246079.db2.gz HTZWBGVLYWNQJG-IUODEOHRSA-N -1 3 313.405 2.589 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000825192732 608246081 /nfs/dbraw/zinc/24/60/81/608246081.db2.gz HTZWBGVLYWNQJG-IUODEOHRSA-N -1 3 313.405 2.589 20 0 DFADHM Cc1ccc(F)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826289110 608261912 /nfs/dbraw/zinc/26/19/12/608261912.db2.gz KSZDCGJOJYZQHR-UHFFFAOYSA-N -1 3 316.267 2.673 20 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2.581 20 0 DFADHM CCOc1ccccc1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC000825654272 608276343 /nfs/dbraw/zinc/27/63/43/608276343.db2.gz UVGNKZBTQCVWSC-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM Cc1ccc2c(c1)CC[C@@H]2Nc1nc(C)ccc1-c1nnn[n-]1 ZINC000826293845 608277902 /nfs/dbraw/zinc/27/79/02/608277902.db2.gz COUMPPLHAXAYNC-HNNXBMFYSA-N -1 3 306.373 2.978 20 0 DFADHM Cc1ccc2c(c1)CC[C@@H]2Nc1nc(C)ccc1-c1nn[n-]n1 ZINC000826293845 608277904 /nfs/dbraw/zinc/27/79/04/608277904.db2.gz COUMPPLHAXAYNC-HNNXBMFYSA-N -1 3 306.373 2.978 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2coc3ccccc23)n1 ZINC000826277380 608289362 /nfs/dbraw/zinc/28/93/62/608289362.db2.gz SAXJCQYROVXYEF-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2coc3ccccc23)n1 ZINC000826277380 608289364 /nfs/dbraw/zinc/28/93/64/608289364.db2.gz SAXJCQYROVXYEF-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(OCc2cnoc2C2CC2)c1 ZINC000826351394 608291985 /nfs/dbraw/zinc/29/19/85/608291985.db2.gz KVKDZBAMLIFGNK-UHFFFAOYSA-N -1 3 317.736 2.965 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(OCc2cnoc2C2CC2)c1 ZINC000826351394 608291986 /nfs/dbraw/zinc/29/19/86/608291986.db2.gz KVKDZBAMLIFGNK-UHFFFAOYSA-N -1 3 317.736 2.965 20 0 DFADHM c1c2c(nc(N3C[C@@H]4CCCC[C@@H]4C3)c1-c1nnn[n-]1)CCCC2 ZINC000826512038 608294580 /nfs/dbraw/zinc/29/45/80/608294580.db2.gz MQIXVYFSHUQGRH-OKILXGFUSA-N -1 3 324.432 2.767 20 0 DFADHM c1c2c(nc(N3C[C@@H]4CCCC[C@@H]4C3)c1-c1nn[n-]n1)CCCC2 ZINC000826512038 608294582 /nfs/dbraw/zinc/29/45/82/608294582.db2.gz MQIXVYFSHUQGRH-OKILXGFUSA-N -1 3 324.432 2.767 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)[C@@H]2COc3ccccc32)n1 ZINC000826274971 608300086 /nfs/dbraw/zinc/30/00/86/608300086.db2.gz KMDINVGSJWRPMP-RISCZKNCSA-N -1 3 322.372 2.547 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)[C@@H]2COc3ccccc32)n1 ZINC000826274971 608300087 /nfs/dbraw/zinc/30/00/87/608300087.db2.gz KMDINVGSJWRPMP-RISCZKNCSA-N -1 3 322.372 2.547 20 0 DFADHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@H]1C ZINC000824962273 608302861 /nfs/dbraw/zinc/30/28/61/608302861.db2.gz RLALDSFGLUZWHM-VXGBXAGGSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@H]1C ZINC000824962273 608302862 /nfs/dbraw/zinc/30/28/62/608302862.db2.gz RLALDSFGLUZWHM-VXGBXAGGSA-N -1 3 308.389 2.897 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1cccc(F)c1 ZINC000826173270 608322803 /nfs/dbraw/zinc/32/28/03/608322803.db2.gz VRHZTXGLNMDZKA-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1cccc(F)c1 ZINC000826173270 608322805 /nfs/dbraw/zinc/32/28/05/608322805.db2.gz VRHZTXGLNMDZKA-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM Cc1ccc2c(c1)CCN2Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826294212 608323654 /nfs/dbraw/zinc/32/36/54/608323654.db2.gz LYDINYQUFMVNLJ-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1ccc2c(c1)CCN2Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826294212 608323655 /nfs/dbraw/zinc/32/36/55/608323655.db2.gz LYDINYQUFMVNLJ-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM CS[C@H](C)CCC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826225981 608331631 /nfs/dbraw/zinc/33/16/31/608331631.db2.gz PGMXKJATAKVORK-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM CS[C@H](C)CCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826225981 608331633 /nfs/dbraw/zinc/33/16/33/608331633.db2.gz PGMXKJATAKVORK-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM Cc1ccncc1[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826251295 608334644 /nfs/dbraw/zinc/33/46/44/608334644.db2.gz LGULXELILBJZRZ-LBPRGKRZSA-N -1 3 323.356 2.797 20 0 DFADHM Cc1ccncc1[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826251295 608334646 /nfs/dbraw/zinc/33/46/46/608334646.db2.gz LGULXELILBJZRZ-LBPRGKRZSA-N -1 3 323.356 2.797 20 0 DFADHM C[C@@H](COc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000824450067 608374670 /nfs/dbraw/zinc/37/46/70/608374670.db2.gz RMBFUPZCHGXVNB-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM CCc1ncnc(Sc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000825754592 608403324 /nfs/dbraw/zinc/40/33/24/608403324.db2.gz DXLYHQFIGCFYAF-UHFFFAOYSA-N -1 3 302.338 2.509 20 0 DFADHM CCc1ncnc(Sc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000825754592 608403326 /nfs/dbraw/zinc/40/33/26/608403326.db2.gz DXLYHQFIGCFYAF-UHFFFAOYSA-N -1 3 302.338 2.509 20 0 DFADHM CC[C@H](CSC)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000825126135 608416531 /nfs/dbraw/zinc/41/65/31/608416531.db2.gz HMQFTDHMTGVXHT-SNVBAGLBSA-N -1 3 314.418 2.968 20 0 DFADHM CC[C@H](CSC)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000825126135 608416533 /nfs/dbraw/zinc/41/65/33/608416533.db2.gz HMQFTDHMTGVXHT-SNVBAGLBSA-N -1 3 314.418 2.968 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000826146036 608417078 /nfs/dbraw/zinc/41/70/78/608417078.db2.gz PEHRQRGQLCFCFQ-JOYOIKCWSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000826146036 608417079 /nfs/dbraw/zinc/41/70/79/608417079.db2.gz PEHRQRGQLCFCFQ-JOYOIKCWSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@H]1CCC[C@H]1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000826145995 608417320 /nfs/dbraw/zinc/41/73/20/608417320.db2.gz OLYWRIKHFAWNGL-NHYWBVRUSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@H]1CCC[C@H]1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000826145995 608417322 /nfs/dbraw/zinc/41/73/22/608417322.db2.gz OLYWRIKHFAWNGL-NHYWBVRUSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824900286 608451039 /nfs/dbraw/zinc/45/10/39/608451039.db2.gz ULYCCOFUEYDCQS-MXBGMFSPSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824900286 608451041 /nfs/dbraw/zinc/45/10/41/608451041.db2.gz ULYCCOFUEYDCQS-MXBGMFSPSA-N -1 3 316.336 2.795 20 0 DFADHM CCC(CC)CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825106846 608451357 /nfs/dbraw/zinc/45/13/57/608451357.db2.gz JTYGXEOFRLONHR-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CCC(CC)CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825106846 608451359 /nfs/dbraw/zinc/45/13/59/608451359.db2.gz JTYGXEOFRLONHR-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NCCc1ccccc1 ZINC000825627202 608476758 /nfs/dbraw/zinc/47/67/58/608476758.db2.gz 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/nfs/dbraw/zinc/52/25/41/608522541.db2.gz YPEMRSOBOYAZBZ-UHFFFAOYSA-N -1 3 313.336 2.763 20 0 DFADHM CC1(C)CC[C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000824803045 608554151 /nfs/dbraw/zinc/55/41/51/608554151.db2.gz SAMLWNQMUDDSEZ-GWJCSSMESA-N -1 3 311.389 2.575 20 0 DFADHM CC1(C)CC[C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000824803045 608554153 /nfs/dbraw/zinc/55/41/53/608554153.db2.gz SAMLWNQMUDDSEZ-GWJCSSMESA-N -1 3 311.389 2.575 20 0 DFADHM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824937682 608573069 /nfs/dbraw/zinc/57/30/69/608573069.db2.gz QNQARMNMWWNGMA-NOZJJQNGSA-N -1 3 319.796 2.829 20 0 DFADHM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824937682 608573070 /nfs/dbraw/zinc/57/30/70/608573070.db2.gz QNQARMNMWWNGMA-NOZJJQNGSA-N -1 3 319.796 2.829 20 0 DFADHM Fc1cccc2c1CCN(Cc1cc(-c3nnn[n-]3)cs1)C2 ZINC000826378117 608692630 /nfs/dbraw/zinc/69/26/30/608692630.db2.gz VYFJFEMHIXGWKB-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1cccc2c1CCN(Cc1cc(-c3nn[n-]n3)cs1)C2 ZINC000826378117 608692633 /nfs/dbraw/zinc/69/26/33/608692633.db2.gz VYFJFEMHIXGWKB-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM C[C@@H]1c2c(F)cccc2CCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825019113 608705186 /nfs/dbraw/zinc/70/51/86/608705186.db2.gz CDPNUVWJCOEDNO-SNVBAGLBSA-N -1 3 313.336 2.718 20 0 DFADHM C[C@@H]1c2c(F)cccc2CCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825019113 608705189 /nfs/dbraw/zinc/70/51/89/608705189.db2.gz CDPNUVWJCOEDNO-SNVBAGLBSA-N -1 3 313.336 2.718 20 0 DFADHM C[C@H]1c2ccc(F)cc2CCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825029176 608717915 /nfs/dbraw/zinc/71/79/15/608717915.db2.gz OJNBIANMLPNTHG-JTQLQIEISA-N -1 3 313.336 2.718 20 0 DFADHM C[C@H]1c2ccc(F)cc2CCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825029176 608717919 /nfs/dbraw/zinc/71/79/19/608717919.db2.gz OJNBIANMLPNTHG-JTQLQIEISA-N -1 3 313.336 2.718 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2cnccc2-c2nnn[n-]2)s1 ZINC000826287208 608787507 /nfs/dbraw/zinc/78/75/07/608787507.db2.gz HLFSTWMQVUJOKU-VIFPVBQESA-N -1 3 300.391 2.675 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2cnccc2-c2nn[n-]n2)s1 ZINC000826287208 608787509 /nfs/dbraw/zinc/78/75/09/608787509.db2.gz HLFSTWMQVUJOKU-VIFPVBQESA-N -1 3 300.391 2.675 20 0 DFADHM CCCCO[C@H]1C[C@@H](Nc2cnccc2-c2nnn[n-]2)C1(C)C ZINC000825290911 608789083 /nfs/dbraw/zinc/78/90/83/608789083.db2.gz JXEFTNDGGBXSNH-KGLIPLIRSA-N -1 3 316.409 2.657 20 0 DFADHM CCCCO[C@H]1C[C@@H](Nc2cnccc2-c2nn[n-]n2)C1(C)C ZINC000825290911 608789085 /nfs/dbraw/zinc/78/90/85/608789085.db2.gz JXEFTNDGGBXSNH-KGLIPLIRSA-N -1 3 316.409 2.657 20 0 DFADHM Cc1cc(F)ccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826268737 608861943 /nfs/dbraw/zinc/86/19/43/608861943.db2.gz LGCNTLVESAMZMS-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cc(F)ccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826268737 608861946 /nfs/dbraw/zinc/86/19/46/608861946.db2.gz LGCNTLVESAMZMS-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cccc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC000826298056 609135764 /nfs/dbraw/zinc/13/57/64/609135764.db2.gz 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609203263 /nfs/dbraw/zinc/20/32/63/609203263.db2.gz WIQOVFQQGZECLZ-UHFFFAOYSA-N -1 3 319.340 2.769 20 0 DFADHM C[C@@H](Nc1ccc(CCO)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824658540 609248619 /nfs/dbraw/zinc/24/86/19/609248619.db2.gz XZMQSGIEEXPAJS-GFCCVEGCSA-N -1 3 309.373 2.575 20 0 DFADHM C[C@@H](Nc1ccc(CCO)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824658540 609248620 /nfs/dbraw/zinc/24/86/20/609248620.db2.gz XZMQSGIEEXPAJS-GFCCVEGCSA-N -1 3 309.373 2.575 20 0 DFADHM C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000824938832 609289927 /nfs/dbraw/zinc/28/99/27/609289927.db2.gz WGYBVBHEEZBJOQ-SNVBAGLBSA-N -1 3 319.796 2.782 20 0 DFADHM C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000824938832 609289929 /nfs/dbraw/zinc/28/99/29/609289929.db2.gz WGYBVBHEEZBJOQ-SNVBAGLBSA-N -1 3 319.796 2.782 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccc(Cl)cn1 ZINC000826279629 609311584 /nfs/dbraw/zinc/31/15/84/609311584.db2.gz WMUAMLWQXAYHIC-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM 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DFADHM CC1(C)C[C@@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C(C)(C)O1 ZINC000824791024 609318792 /nfs/dbraw/zinc/31/87/92/609318792.db2.gz VYCBDNBYGUTCQR-LLVKDONJSA-N -1 3 323.347 2.903 20 0 DFADHM C[C@@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C[C@@H]1F ZINC000824962349 609319216 /nfs/dbraw/zinc/31/92/16/609319216.db2.gz TXQYZXRPPWLCHT-MFKMUULPSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C[C@@H]1F ZINC000824962349 609319218 /nfs/dbraw/zinc/31/92/18/609319218.db2.gz TXQYZXRPPWLCHT-MFKMUULPSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C[C@@H]1F ZINC000824962347 609319353 /nfs/dbraw/zinc/31/93/53/609319353.db2.gz TXQYZXRPPWLCHT-GWCFXTLKSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C[C@@H]1F ZINC000824962347 609319355 /nfs/dbraw/zinc/31/93/55/609319355.db2.gz TXQYZXRPPWLCHT-GWCFXTLKSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccccn1 ZINC000824533147 609321355 /nfs/dbraw/zinc/32/13/55/609321355.db2.gz ZGTXIJOOWWVFFL-QWRGUYRKSA-N -1 3 312.352 2.813 20 0 DFADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000824533147 609321357 /nfs/dbraw/zinc/32/13/57/609321357.db2.gz ZGTXIJOOWWVFFL-QWRGUYRKSA-N -1 3 312.352 2.813 20 0 DFADHM Cc1cccc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826298182 609328472 /nfs/dbraw/zinc/32/84/72/609328472.db2.gz HLXXGCQBHNEBCR-LLVKDONJSA-N -1 3 312.352 2.560 20 0 DFADHM Cc1cccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826298182 609328474 /nfs/dbraw/zinc/32/84/74/609328474.db2.gz HLXXGCQBHNEBCR-LLVKDONJSA-N -1 3 312.352 2.560 20 0 DFADHM C[C@H](Nc1cccc(CCCO)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824663299 609375178 /nfs/dbraw/zinc/37/51/78/609375178.db2.gz XVIZDIYHAWOYDA-ZDUSSCGKSA-N -1 3 323.400 2.965 20 0 DFADHM C[C@H](Nc1cccc(CCCO)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824663299 609375179 /nfs/dbraw/zinc/37/51/79/609375179.db2.gz XVIZDIYHAWOYDA-ZDUSSCGKSA-N -1 3 323.400 2.965 20 0 DFADHM CC1(C)CC[C@@H](C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000824797445 609394058 /nfs/dbraw/zinc/39/40/58/609394058.db2.gz YNDPYRWUQVEPQS-SNVBAGLBSA-N -1 3 304.325 2.738 20 0 DFADHM CC1(C)CC[C@@H](C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000824797445 609394060 /nfs/dbraw/zinc/39/40/60/609394060.db2.gz YNDPYRWUQVEPQS-SNVBAGLBSA-N -1 3 304.325 2.738 20 0 DFADHM CC1(C)CC[C@H](C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000824797444 609394409 /nfs/dbraw/zinc/39/44/09/609394409.db2.gz YNDPYRWUQVEPQS-JTQLQIEISA-N -1 3 304.325 2.738 20 0 DFADHM CC1(C)CC[C@H](C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000824797444 609394411 /nfs/dbraw/zinc/39/44/11/609394411.db2.gz YNDPYRWUQVEPQS-JTQLQIEISA-N -1 3 304.325 2.738 20 0 DFADHM CC(C)CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824267102 609446114 /nfs/dbraw/zinc/44/61/14/609446114.db2.gz XSXXQAQHUBJWNX-UHFFFAOYSA-N -1 3 317.784 2.774 20 0 DFADHM CC(C)CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824267102 609446115 /nfs/dbraw/zinc/44/61/15/609446115.db2.gz XSXXQAQHUBJWNX-UHFFFAOYSA-N -1 3 317.784 2.774 20 0 DFADHM CCOC(=O)[C@@H](CC(C)C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000825486205 609448527 /nfs/dbraw/zinc/44/85/27/609448527.db2.gz OBNTWHWEWQGIFH-CYBMUJFWSA-N -1 3 320.418 2.937 20 0 DFADHM CCOC(=O)[C@@H](CC(C)C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000825486205 609448530 /nfs/dbraw/zinc/44/85/30/609448530.db2.gz OBNTWHWEWQGIFH-CYBMUJFWSA-N -1 3 320.418 2.937 20 0 DFADHM Cc1cc(CNc2nc3ccccn3c2-c2nnn[n-]2)ccc1F ZINC000826267316 609459771 /nfs/dbraw/zinc/45/97/71/609459771.db2.gz ZTNYVGCMQFOLDK-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cc(CNc2nc3ccccn3c2-c2nn[n-]n2)ccc1F ZINC000826267316 609459773 /nfs/dbraw/zinc/45/97/73/609459773.db2.gz ZTNYVGCMQFOLDK-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Brc1ccoc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000227759665 609471766 /nfs/dbraw/zinc/47/17/66/609471766.db2.gz CCLYKPPPKKTILE-UHFFFAOYSA-N -1 3 320.150 2.834 20 0 DFADHM Brc1ccoc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000227759665 609471767 /nfs/dbraw/zinc/47/17/67/609471767.db2.gz CCLYKPPPKKTILE-UHFFFAOYSA-N -1 3 320.150 2.834 20 0 DFADHM c1cc(NCc2nc3c(s2)CCCC3)cc(-c2nnn[n-]2)c1 ZINC000826516987 609473583 /nfs/dbraw/zinc/47/35/83/609473583.db2.gz LFKQLXCHWRNQBF-UHFFFAOYSA-N -1 3 312.402 2.814 20 0 DFADHM c1cc(NCc2nc3c(s2)CCCC3)cc(-c2nn[n-]n2)c1 ZINC000826516987 609473584 /nfs/dbraw/zinc/47/35/84/609473584.db2.gz LFKQLXCHWRNQBF-UHFFFAOYSA-N -1 3 312.402 2.814 20 0 DFADHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)cc1F ZINC000826203441 609479784 /nfs/dbraw/zinc/47/97/84/609479784.db2.gz NXYKGHHDCGQVIP-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)cc1F ZINC000826203441 609479785 /nfs/dbraw/zinc/47/97/85/609479785.db2.gz NXYKGHHDCGQVIP-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccsc1CNc1cccc(-c2nnn[n-]2)c1C ZINC000826221509 609485803 /nfs/dbraw/zinc/48/58/03/609485803.db2.gz IZSCCOVRLRWJGE-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM COc1ccsc1CNc1cccc(-c2nn[n-]n2)c1C ZINC000826221509 609485806 /nfs/dbraw/zinc/48/58/06/609485806.db2.gz IZSCCOVRLRWJGE-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM CCOC(=O)Nc1ccc(NCC(C)C)cc1-c1nnn[n-]1 ZINC000825552954 609487395 /nfs/dbraw/zinc/48/73/95/609487395.db2.gz GLDTWBOQGPHILW-UHFFFAOYSA-N -1 3 304.354 2.503 20 0 DFADHM CCOC(=O)Nc1ccc(NCC(C)C)cc1-c1nn[n-]n1 ZINC000825552954 609487397 /nfs/dbraw/zinc/48/73/97/609487397.db2.gz GLDTWBOQGPHILW-UHFFFAOYSA-N -1 3 304.354 2.503 20 0 DFADHM CC(C)Oc1ccc(NCc2ccccn2)cc1-c1nnn[n-]1 ZINC000824329426 609489929 /nfs/dbraw/zinc/48/99/29/609489929.db2.gz PPZFADRPAWAFHD-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)Oc1ccc(NCc2ccccn2)cc1-c1nn[n-]n1 ZINC000824329426 609489931 /nfs/dbraw/zinc/48/99/31/609489931.db2.gz PPZFADRPAWAFHD-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824974698 609494707 /nfs/dbraw/zinc/49/47/07/609494707.db2.gz DGGXZHUWGQMLNS-NSHDSACASA-N -1 3 314.393 2.767 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824974698 609494709 /nfs/dbraw/zinc/49/47/09/609494709.db2.gz DGGXZHUWGQMLNS-NSHDSACASA-N -1 3 314.393 2.767 20 0 DFADHM CC[C@@H]1CCCCN1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825192293 609517456 /nfs/dbraw/zinc/51/74/56/609517456.db2.gz GHKGKEDJVZGJCD-SNVBAGLBSA-N -1 3 306.801 2.992 20 0 DFADHM CC[C@@H]1CCCCN1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825192293 609517458 /nfs/dbraw/zinc/51/74/58/609517458.db2.gz GHKGKEDJVZGJCD-SNVBAGLBSA-N -1 3 306.801 2.992 20 0 DFADHM Cc1ccnc(NCCc2c[nH]c3ccccc23)c1-c1nnn[n-]1 ZINC000826314467 609519252 /nfs/dbraw/zinc/51/92/52/609519252.db2.gz YBMSNOIFRUSGAW-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1ccnc(NCCc2c[nH]c3ccccc23)c1-c1nn[n-]n1 ZINC000826314467 609519255 /nfs/dbraw/zinc/51/92/55/609519255.db2.gz YBMSNOIFRUSGAW-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1c(Cl)cnc(N2CCCCCCC2)c1-c1nnn[n-]1 ZINC000826237881 609520228 /nfs/dbraw/zinc/52/02/28/609520228.db2.gz OOCBFEYNCSOCRN-UHFFFAOYSA-N -1 3 306.801 2.994 20 0 DFADHM Cc1c(Cl)cnc(N2CCCCCCC2)c1-c1nn[n-]n1 ZINC000826237881 609520230 /nfs/dbraw/zinc/52/02/30/609520230.db2.gz OOCBFEYNCSOCRN-UHFFFAOYSA-N -1 3 306.801 2.994 20 0 DFADHM Cc1ccnc(Cl)c1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826308630 609522920 /nfs/dbraw/zinc/52/29/20/609522920.db2.gz INJHZBDADALWMZ-UHFFFAOYSA-N -1 3 319.727 2.942 20 0 DFADHM Cc1ccnc(Cl)c1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826308630 609522921 /nfs/dbraw/zinc/52/29/21/609522921.db2.gz INJHZBDADALWMZ-UHFFFAOYSA-N -1 3 319.727 2.942 20 0 DFADHM Cc1ccnc(N(C)[C@@H](C)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826309438 609525228 /nfs/dbraw/zinc/52/52/28/609525228.db2.gz OUFNXBDNUQAXHN-NSHDSACASA-N -1 3 312.352 2.907 20 0 DFADHM Cc1ccnc(N(C)[C@@H](C)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826309438 609525229 /nfs/dbraw/zinc/52/52/29/609525229.db2.gz OUFNXBDNUQAXHN-NSHDSACASA-N -1 3 312.352 2.907 20 0 DFADHM CCN(Cc1cccs1)c1nccc(C)c1-c1nnn[n-]1 ZINC000825439559 609528321 /nfs/dbraw/zinc/52/83/21/609528321.db2.gz FMFYWIZFTUUTOX-UHFFFAOYSA-N -1 3 300.391 2.658 20 0 DFADHM CCN(Cc1cccs1)c1nccc(C)c1-c1nn[n-]n1 ZINC000825439559 609528323 /nfs/dbraw/zinc/52/83/23/609528323.db2.gz FMFYWIZFTUUTOX-UHFFFAOYSA-N -1 3 300.391 2.658 20 0 DFADHM Cc1ccnc(N(Cc2cccs2)C2CC2)c1-c1nnn[n-]1 ZINC000826309658 609529766 /nfs/dbraw/zinc/52/97/66/609529766.db2.gz XDAVWIVGSZXAQC-UHFFFAOYSA-N -1 3 312.402 2.801 20 0 DFADHM Cc1ccnc(N(Cc2cccs2)C2CC2)c1-c1nn[n-]n1 ZINC000826309658 609529768 /nfs/dbraw/zinc/52/97/68/609529768.db2.gz XDAVWIVGSZXAQC-UHFFFAOYSA-N -1 3 312.402 2.801 20 0 DFADHM CCOCc1ccc(CNc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000825603747 609530535 /nfs/dbraw/zinc/53/05/35/609530535.db2.gz AQQHTNVTXVNWNK-UHFFFAOYSA-N -1 3 324.388 2.719 20 0 DFADHM CCOCc1ccc(CNc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000825603747 609530537 /nfs/dbraw/zinc/53/05/37/609530537.db2.gz AQQHTNVTXVNWNK-UHFFFAOYSA-N -1 3 324.388 2.719 20 0 DFADHM COc1cccc([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826214571 609536612 /nfs/dbraw/zinc/53/66/12/609536612.db2.gz PWINCLDRCVYIMU-NSHDSACASA-N -1 3 310.361 2.752 20 0 DFADHM COc1cccc([C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826214571 609536613 /nfs/dbraw/zinc/53/66/13/609536613.db2.gz PWINCLDRCVYIMU-NSHDSACASA-N -1 3 310.361 2.752 20 0 DFADHM Cc1ccnc(NC[C@@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826313537 609552001 /nfs/dbraw/zinc/55/20/01/609552001.db2.gz KNFQKMGFWWJSJS-ZDUSSCGKSA-N -1 3 306.373 2.712 20 0 DFADHM Cc1ccnc(NC[C@@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826313537 609552004 /nfs/dbraw/zinc/55/20/04/609552004.db2.gz KNFQKMGFWWJSJS-ZDUSSCGKSA-N -1 3 306.373 2.712 20 0 DFADHM Cc1ccnc(N[C@H]2c3ccccc3C[C@H]2C)c1-c1nnn[n-]1 ZINC000826312710 609552234 /nfs/dbraw/zinc/55/22/34/609552234.db2.gz MOALJJISYGBYGG-IAQYHMDHSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccnc(N[C@H]2c3ccccc3C[C@H]2C)c1-c1nn[n-]n1 ZINC000826312710 609552236 /nfs/dbraw/zinc/55/22/36/609552236.db2.gz MOALJJISYGBYGG-IAQYHMDHSA-N -1 3 306.373 2.916 20 0 DFADHM CC[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1nccs1 ZINC000825147311 609555359 /nfs/dbraw/zinc/55/53/59/609555359.db2.gz IAYLJAFDCWHIHS-VIFPVBQESA-N -1 3 301.379 2.590 20 0 DFADHM CC[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1nccs1 ZINC000825147311 609555360 /nfs/dbraw/zinc/55/53/60/609555360.db2.gz IAYLJAFDCWHIHS-VIFPVBQESA-N -1 3 301.379 2.590 20 0 DFADHM CCCC[C@@H](COC)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825258792 609556740 /nfs/dbraw/zinc/55/67/40/609556740.db2.gz DLDYINLYLBMEMU-JTQLQIEISA-N -1 3 324.816 2.841 20 0 DFADHM CCCC[C@@H](COC)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825258792 609556743 /nfs/dbraw/zinc/55/67/43/609556743.db2.gz DLDYINLYLBMEMU-JTQLQIEISA-N -1 3 324.816 2.841 20 0 DFADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCCOC1 ZINC000824650862 609561893 /nfs/dbraw/zinc/56/18/93/609561893.db2.gz VBBHUYYFWLJHBR-ZJUUUORDSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCCOC1 ZINC000824650862 609561894 /nfs/dbraw/zinc/56/18/94/609561894.db2.gz VBBHUYYFWLJHBR-ZJUUUORDSA-N -1 3 307.785 2.747 20 0 DFADHM Cc1ccnc(N2C[C@H](C)[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826309083 609564130 /nfs/dbraw/zinc/56/41/30/609564130.db2.gz CJWNPFWZONDPIR-SWLSCSKDSA-N -1 3 306.373 2.768 20 0 DFADHM Cc1ccnc(N2C[C@H](C)[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826309083 609564132 /nfs/dbraw/zinc/56/41/32/609564132.db2.gz CJWNPFWZONDPIR-SWLSCSKDSA-N -1 3 306.373 2.768 20 0 DFADHM Cc1nc2c(s1)[C@@H](Nc1ccc(-c3nnn[n-]3)cn1)CCC2 ZINC000826328520 609566057 /nfs/dbraw/zinc/56/60/57/609566057.db2.gz UOHFKINZOBFFCC-NSHDSACASA-N -1 3 313.390 2.516 20 0 DFADHM Cc1nc2c(s1)[C@@H](Nc1ccc(-c3nn[n-]n3)cn1)CCC2 ZINC000826328520 609566059 /nfs/dbraw/zinc/56/60/59/609566059.db2.gz UOHFKINZOBFFCC-NSHDSACASA-N -1 3 313.390 2.516 20 0 DFADHM CCS[C@H]1CCC[C@@H]1Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825668939 609567933 /nfs/dbraw/zinc/56/79/33/609567933.db2.gz MMUYSXCEHGMHGG-QWRGUYRKSA-N -1 3 304.423 2.656 20 0 DFADHM CCS[C@H]1CCC[C@@H]1Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825668939 609567935 /nfs/dbraw/zinc/56/79/35/609567935.db2.gz MMUYSXCEHGMHGG-QWRGUYRKSA-N -1 3 304.423 2.656 20 0 DFADHM CC[C@@H](CSC)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825128801 609585101 /nfs/dbraw/zinc/58/51/01/609585101.db2.gz YWFLWLQRPMRDPU-QMMMGPOBSA-N -1 3 312.830 2.777 20 0 DFADHM CC[C@@H](CSC)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825128801 609585103 /nfs/dbraw/zinc/58/51/03/609585103.db2.gz YWFLWLQRPMRDPU-QMMMGPOBSA-N -1 3 312.830 2.777 20 0 DFADHM COCC[C@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826154203 609589885 /nfs/dbraw/zinc/58/98/85/609589885.db2.gz KJIDMZKIHKOCMO-CQSZACIVSA-N -1 3 313.361 2.519 20 0 DFADHM CCC(C)=C(C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825052148 609591029 /nfs/dbraw/zinc/59/10/29/609591029.db2.gz VCCMTPCAKCSPHN-MDZDMXLPSA-N -1 3 317.397 2.503 20 0 DFADHM CCC(C)=C(C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825052148 609591030 /nfs/dbraw/zinc/59/10/30/609591030.db2.gz VCCMTPCAKCSPHN-MDZDMXLPSA-N -1 3 317.397 2.503 20 0 DFADHM CC/C(C)=C(\C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825052148 609591031 /nfs/dbraw/zinc/59/10/31/609591031.db2.gz VCCMTPCAKCSPHN-MDZDMXLPSA-N -1 3 317.397 2.503 20 0 DFADHM C[C@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC(C)(C)C1 ZINC000825000547 609592274 /nfs/dbraw/zinc/59/22/74/609592274.db2.gz SAUWHCDNZWTBOQ-LLVKDONJSA-N -1 3 312.421 2.623 20 0 DFADHM C[C@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC(C)(C)C1 ZINC000825000547 609592275 /nfs/dbraw/zinc/59/22/75/609592275.db2.gz SAUWHCDNZWTBOQ-LLVKDONJSA-N -1 3 312.421 2.623 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825052459 609599661 /nfs/dbraw/zinc/59/96/61/609599661.db2.gz XCJRJHNJJZQUNO-NWDGAFQWSA-N -1 3 313.405 2.654 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825052459 609599663 /nfs/dbraw/zinc/59/96/63/609599663.db2.gz XCJRJHNJJZQUNO-NWDGAFQWSA-N -1 3 313.405 2.654 20 0 DFADHM Cc1cc(F)ccc1COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826268897 609607417 /nfs/dbraw/zinc/60/74/17/609607417.db2.gz SBEFUADMROONRP-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(F)ccc1COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826268897 609607418 /nfs/dbraw/zinc/60/74/18/609607418.db2.gz SBEFUADMROONRP-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CC1(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCC1 ZINC000824784438 609612913 /nfs/dbraw/zinc/61/29/13/609612913.db2.gz TVEYXCMLFOVACW-UHFFFAOYSA-N -1 3 306.753 2.754 20 0 DFADHM CC1(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCC1 ZINC000824784438 609612915 /nfs/dbraw/zinc/61/29/15/609612915.db2.gz TVEYXCMLFOVACW-UHFFFAOYSA-N -1 3 306.753 2.754 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825060894 609642023 /nfs/dbraw/zinc/64/20/23/609642023.db2.gz UTNQJZFDWRPBKE-UWVGGRQHSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825060894 609642025 /nfs/dbraw/zinc/64/20/25/609642025.db2.gz UTNQJZFDWRPBKE-UWVGGRQHSA-N -1 3 306.341 2.731 20 0 DFADHM [O-]c1cc(F)cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278313647 214085172 /nfs/dbraw/zinc/08/51/72/214085172.db2.gz FJJBPRDUKUBHAV-GXFFZTMASA-N -1 3 307.287 2.667 20 0 DFADHM OC[C@@H]([N-]c1nnc(C2CC2)o1)c1cccc(Br)c1 ZINC000278354401 214109667 /nfs/dbraw/zinc/10/96/67/214109667.db2.gz JUMRRQUIGYLTAS-LLVKDONJSA-N -1 3 324.178 2.855 20 0 DFADHM C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccc2[O-])CC1=O ZINC000096589844 185384319 /nfs/dbraw/zinc/38/43/19/185384319.db2.gz CYPSDHRRRXXZQA-HIFRSBDPSA-N -1 3 324.380 2.940 20 0 DFADHM CCc1nc(C(C)(C)NC(=O)c2ccc(CC)cc2[O-])no1 ZINC000443357823 297220329 /nfs/dbraw/zinc/22/03/29/297220329.db2.gz FDDSBBOISGGKGT-UHFFFAOYSA-N -1 3 303.362 2.565 20 0 DFADHM CCCn1ccc2cc(NC([O-])=NOCC(C)(C)O)ccc21 ZINC000278521891 214209410 /nfs/dbraw/zinc/20/94/10/214209410.db2.gz CRCLHYSKCYIALM-UHFFFAOYSA-N -1 3 305.378 2.875 20 0 DFADHM CCCn1ccc2cc(NC(=O)[N-]OCC(C)(C)O)ccc21 ZINC000278521891 214209413 /nfs/dbraw/zinc/20/94/13/214209413.db2.gz CRCLHYSKCYIALM-UHFFFAOYSA-N -1 3 305.378 2.875 20 0 DFADHM CC1(C)CCC[C@H](NC(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000443553884 297221131 /nfs/dbraw/zinc/22/11/31/297221131.db2.gz RHSBDNQIPJPADF-QMMMGPOBSA-N -1 3 319.331 2.592 20 0 DFADHM CC1(C)CCC[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000443553884 297221132 /nfs/dbraw/zinc/22/11/32/297221132.db2.gz RHSBDNQIPJPADF-QMMMGPOBSA-N -1 3 319.331 2.592 20 0 DFADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C[C@@](C)(O)C(=O)[O-] ZINC000515306088 300299562 /nfs/dbraw/zinc/29/95/62/300299562.db2.gz UPUGEFDOBFJLRU-AMIZOPFISA-N -1 3 306.189 2.822 20 0 DFADHM CC1CCN(c2cccc(NC([O-])=NOCC(C)(C)O)c2)CC1 ZINC000278626818 214285980 /nfs/dbraw/zinc/28/59/80/214285980.db2.gz SZJYCEBFVULLPN-UHFFFAOYSA-N -1 3 321.421 2.747 20 0 DFADHM CC1CCN(c2cccc(NC(=O)[N-]OCC(C)(C)O)c2)CC1 ZINC000278626818 214285982 /nfs/dbraw/zinc/28/59/82/214285982.db2.gz SZJYCEBFVULLPN-UHFFFAOYSA-N -1 3 321.421 2.747 20 0 DFADHM O=C(c1cccc([O-])c1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000305796531 231058185 /nfs/dbraw/zinc/05/81/85/231058185.db2.gz ASWVHWRHYCYSRK-BBRMVZONSA-N -1 3 319.307 2.619 20 0 DFADHM CC(C)(O)CON=C([O-])Nc1ccc2c3c(cccc31)CC2 ZINC000278690850 214328645 /nfs/dbraw/zinc/32/86/45/214328645.db2.gz SHBGQVGGLICAKG-UHFFFAOYSA-N -1 3 300.358 2.762 20 0 DFADHM CC(C)(O)CO[N-]C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000278690850 214328648 /nfs/dbraw/zinc/32/86/48/214328648.db2.gz SHBGQVGGLICAKG-UHFFFAOYSA-N -1 3 300.358 2.762 20 0 DFADHM CO[N-]C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000079453636 185172468 /nfs/dbraw/zinc/17/24/68/185172468.db2.gz VOCLTZLFICEZPE-WCQYABFASA-N -1 3 308.378 2.566 20 0 DFADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC000082345994 185176590 /nfs/dbraw/zinc/17/65/90/185176590.db2.gz UYLDXHPQKVIYTQ-UHFFFAOYSA-N -1 3 313.382 2.982 20 0 DFADHM Cc1cccc(NC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000314940434 231135831 /nfs/dbraw/zinc/13/58/31/231135831.db2.gz TXGMLYJPHQFUGA-OAHLLOKOSA-N -1 3 304.390 2.653 20 0 DFADHM Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1[O-] ZINC000322897395 231214165 /nfs/dbraw/zinc/21/41/65/231214165.db2.gz OTNJKHLIJNZZAS-UHFFFAOYSA-N -1 3 314.360 2.802 20 0 DFADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(OC(F)F)c1 ZINC000278225265 214034341 /nfs/dbraw/zinc/03/43/41/214034341.db2.gz YAXNUJXKFWPRNS-QMMMGPOBSA-N -1 3 324.205 2.665 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@](CO)(C(C)C)C2)ccc1[O-] ZINC000294631980 529513273 /nfs/dbraw/zinc/51/32/73/529513273.db2.gz HNFOZZNTUZZFDY-SFHVURJKSA-N -1 3 305.418 2.825 20 0 DFADHM CCc1cccc(C(=O)N(C)Cc2nccn2C(F)F)c1[O-] ZINC000081730181 398368078 /nfs/dbraw/zinc/36/80/78/398368078.db2.gz MRZAMTUCVABBHW-UHFFFAOYSA-N -1 3 309.316 2.818 20 0 DFADHM CCc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccccc2)c1[O-] ZINC000081780830 398369661 /nfs/dbraw/zinc/36/96/61/398369661.db2.gz QFZSOBQLSQCUHQ-GFCCVEGCSA-N -1 3 312.369 2.712 20 0 DFADHM O=c1cc(CN(CCCCO)C2CC2)nc(-c2ccccc2)[n-]1 ZINC000459342964 299083266 /nfs/dbraw/zinc/08/32/66/299083266.db2.gz PTNLMFGDHOBCSV-UHFFFAOYSA-N -1 3 313.401 2.586 20 0 DFADHM CCc1cccc(C(=O)Nc2ccn(Cc3ccncc3)n2)c1[O-] ZINC000081777333 398370011 /nfs/dbraw/zinc/37/00/11/398370011.db2.gz FWMMXDUMWNMEJF-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM CN1CCN(Cc2cccc([O-])c2Br)C(C)(C)C1 ZINC000459348965 299085011 /nfs/dbraw/zinc/08/50/11/299085011.db2.gz NIUROCKTIDJEPL-UHFFFAOYSA-N -1 3 313.239 2.681 20 0 DFADHM CCc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000331944431 529601572 /nfs/dbraw/zinc/60/15/72/529601572.db2.gz OJQCJZHDEAMWIT-DOTOQJQBSA-N -1 3 311.381 2.903 20 0 DFADHM CC(C)OCCCC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000272836706 210235985 /nfs/dbraw/zinc/23/59/85/210235985.db2.gz LZEDODHMKVVXSN-UHFFFAOYSA-N -1 3 323.817 2.963 20 0 DFADHM CCc1cccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1[O-] ZINC000081930662 398375630 /nfs/dbraw/zinc/37/56/30/398375630.db2.gz UAQDWMPGYFWSBG-UHFFFAOYSA-N -1 3 313.353 2.956 20 0 DFADHM CCOC(=O)[C@@H](C)N(C)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459358817 299087775 /nfs/dbraw/zinc/08/77/75/299087775.db2.gz XFFWCCBNDXAODQ-SNVBAGLBSA-N -1 3 315.797 2.828 20 0 DFADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccnc(N2CCCC2)n1 ZINC000329623444 231579040 /nfs/dbraw/zinc/57/90/40/231579040.db2.gz FZUVJFJEKBQCAD-UHFFFAOYSA-N -1 3 313.361 2.503 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)cc1C ZINC000066587205 398386043 /nfs/dbraw/zinc/38/60/43/398386043.db2.gz ITGRHCREQPUENA-UHFFFAOYSA-N -1 3 318.398 2.512 20 0 DFADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1nc(C(C)(C)C)no1 ZINC000459395218 299094779 /nfs/dbraw/zinc/09/47/79/299094779.db2.gz AZUIBMGOIMDWSE-SECBINFHSA-N -1 3 317.393 2.591 20 0 DFADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000092715919 185335777 /nfs/dbraw/zinc/33/57/77/185335777.db2.gz NPYVHJPRNKIVEC-UHFFFAOYSA-N -1 3 314.341 2.995 20 0 DFADHM COCC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccco1 ZINC000459395789 299094912 /nfs/dbraw/zinc/09/49/12/299094912.db2.gz BOJRGBPRLVPMJY-CYBMUJFWSA-N -1 3 303.362 2.520 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCc3c(F)ccc(F)c3C2)c1 ZINC000084227196 398395580 /nfs/dbraw/zinc/39/55/80/398395580.db2.gz NTOKOEAZAZJNRQ-UHFFFAOYSA-N -1 3 319.307 2.878 20 0 DFADHM CC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1c(C)nn(C)c1C ZINC000459402471 299097311 /nfs/dbraw/zinc/09/73/11/299097311.db2.gz JQBBWXXNSUGXSW-CQSZACIVSA-N -1 3 315.421 2.651 20 0 DFADHM CC(C)[C@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CCO1 ZINC000459405077 299098221 /nfs/dbraw/zinc/09/82/21/299098221.db2.gz SOWXTHHZGSCBBP-MRXNPFEDSA-N -1 3 313.401 2.706 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@@H](COC)c2ccc(F)c(F)c2)n1 ZINC000181418796 199293880 /nfs/dbraw/zinc/29/38/80/199293880.db2.gz LXCBAXJAMPZQEO-AWEZNQCLSA-N -1 3 323.343 2.500 20 0 DFADHM CCc1nc([C@H](C)NCc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC000459406874 299098801 /nfs/dbraw/zinc/09/88/01/299098801.db2.gz OULZQUNTEOGSIA-VIFPVBQESA-N -1 3 304.419 2.929 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC=C(c2ccccc2)CC1 ZINC000016495959 398401246 /nfs/dbraw/zinc/40/12/46/398401246.db2.gz KPPBFYPTXUEDSC-UHFFFAOYSA-N -1 3 304.353 2.887 20 0 DFADHM CC(C)CCCC(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000584760285 398407294 /nfs/dbraw/zinc/40/72/94/398407294.db2.gz HZDQFAYJXPBZPW-QGZVFWFLSA-N -1 3 317.389 2.506 20 0 DFADHM Cc1ccc(C(=O)CCC(=O)NN=c2nc(C)cc(C)[n-]2)cc1 ZINC000022234235 398416798 /nfs/dbraw/zinc/41/67/98/398416798.db2.gz VCACMGOLPOAUFL-UHFFFAOYSA-N -1 3 312.373 2.508 20 0 DFADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(CSC)cc1)C(C)C ZINC000592351122 398413774 /nfs/dbraw/zinc/41/37/74/398413774.db2.gz WJIACCRAAVYIFS-AWEZNQCLSA-N -1 3 317.476 2.962 20 0 DFADHM C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1cc(F)ccc1[O-] ZINC000330485768 231872505 /nfs/dbraw/zinc/87/25/05/231872505.db2.gz BHTWHKIKWVRDAR-JTQLQIEISA-N -1 3 308.353 2.555 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)SCCCNc2ncccn2)n1 ZINC000268378942 398445024 /nfs/dbraw/zinc/44/50/24/398445024.db2.gz WSOJESAYWSUGFF-NSHDSACASA-N -1 3 305.407 2.577 20 0 DFADHM Cc1noc(C)c1[N-]C(=O)c1ccc(C(=O)OC(C)(C)C)cn1 ZINC000592586700 398449740 /nfs/dbraw/zinc/44/97/40/398449740.db2.gz HAVOTRCTVYQNCR-UHFFFAOYSA-N -1 3 317.345 2.894 20 0 DFADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC(F)(F)F)c1 ZINC000127941931 282963526 /nfs/dbraw/zinc/96/35/26/282963526.db2.gz QHXUGILYKVDPAE-UHFFFAOYSA-N -1 3 301.717 2.879 20 0 DFADHM C[C@@]1(C(=O)Nc2cc(Br)ccc2[O-])CCCOC1 ZINC000272743705 210148944 /nfs/dbraw/zinc/14/89/44/210148944.db2.gz MMZBFSIXDSKBEJ-CYBMUJFWSA-N -1 3 314.179 2.910 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)c2ccc3c(c2)CCC=C3)[n-]1 ZINC000586811734 398464338 /nfs/dbraw/zinc/46/43/38/398464338.db2.gz FEYCFJWGFYJZRI-UHFFFAOYSA-N -1 3 311.341 2.798 20 0 DFADHM CCOC(=O)c1nc(NC(=O)c2ccc3c(c2)CCC=C3)c[n-]1 ZINC000586811734 398464341 /nfs/dbraw/zinc/46/43/41/398464341.db2.gz FEYCFJWGFYJZRI-UHFFFAOYSA-N -1 3 311.341 2.798 20 0 DFADHM CCOC(=O)c1cc([N-]C(=O)c2coc(C)n2)c(F)cc1C ZINC000586828598 398466068 /nfs/dbraw/zinc/46/60/68/398466068.db2.gz MFTKNKBRZHXRTC-UHFFFAOYSA-N -1 3 306.293 2.860 20 0 DFADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000067950871 398468396 /nfs/dbraw/zinc/46/83/96/398468396.db2.gz LZJYYTPOXJRVGP-MRVPVSSYSA-N -1 3 318.370 2.769 20 0 DFADHM CCCCC[C@H](C)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000028048764 398471226 /nfs/dbraw/zinc/47/12/26/398471226.db2.gz LGXXCMPBHYTHDS-JTQLQIEISA-N -1 3 319.448 2.782 20 0 DFADHM Cc1cccc(-c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)c1[O-] ZINC000277942443 213871666 /nfs/dbraw/zinc/87/16/66/213871666.db2.gz FAIUZZXTASTOAG-TZMCWYRMSA-N -1 3 315.373 2.676 20 0 DFADHM Cc1csc(C[N-]S(=O)(=O)c2cccc(Cl)c2C)n1 ZINC000048665628 282384845 /nfs/dbraw/zinc/38/48/45/282384845.db2.gz IFOCSYWVBJYNKC-UHFFFAOYSA-N -1 3 316.835 2.892 20 0 DFADHM COC(=O)c1cc([C@@H](C)S(=O)(=O)c2cccc([O-])c2)oc1C ZINC000292234824 398481867 /nfs/dbraw/zinc/48/18/67/398481867.db2.gz BLCBVKDMVRZJHV-SNVBAGLBSA-N -1 3 324.354 2.615 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccn(C)c2C)c1[O-] ZINC000588100302 398482090 /nfs/dbraw/zinc/48/20/90/398482090.db2.gz XPBMNIZCPNNCIG-UHFFFAOYSA-N -1 3 322.748 2.731 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cncs2)c1[O-] ZINC000588095727 398482461 /nfs/dbraw/zinc/48/24/61/398482461.db2.gz FIUBDLNGIJVPSK-UHFFFAOYSA-N -1 3 312.734 2.541 20 0 DFADHM COC(=O)c1cc([C@@H](C)[S@](=O)c2cccc([O-])c2)oc1C ZINC000292371029 398483531 /nfs/dbraw/zinc/48/35/31/398483531.db2.gz SHKWNUSQUGEJMN-UZJPJQLHSA-N -1 3 308.355 2.949 20 0 DFADHM CCOc1cc(CN[C@H](CO)CC(F)F)cc(Cl)c1[O-] ZINC000459502168 299122499 /nfs/dbraw/zinc/12/24/99/299122499.db2.gz FWUYVRADIMSHAK-VIFPVBQESA-N -1 3 309.740 2.550 20 0 DFADHM CC[C@@H](NC(=O)c1cccc([O-])c1)c1nnc2n1CCCCC2 ZINC000272714801 210120768 /nfs/dbraw/zinc/12/07/68/210120768.db2.gz DFPUCLCQBKZDLD-CQSZACIVSA-N -1 3 314.389 2.591 20 0 DFADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000029998100 398494878 /nfs/dbraw/zinc/49/48/78/398494878.db2.gz DKNMQBLEOCNARZ-SWLSCSKDSA-N -1 3 324.446 2.709 20 0 DFADHM C[C@H]1CN(Cc2cccc([O-])c2Br)[C@@H](C)CN1C ZINC000459523598 299125053 /nfs/dbraw/zinc/12/50/53/299125053.db2.gz IPQFKEOVNMVVEB-QWRGUYRKSA-N -1 3 313.239 2.679 20 0 DFADHM COCC[C@H](NC(=O)c1cc(OC)ccc1[O-])c1ccco1 ZINC000272708032 210113296 /nfs/dbraw/zinc/11/32/96/210113296.db2.gz QWBUVWYSUCNDTH-ZDUSSCGKSA-N -1 3 305.330 2.501 20 0 DFADHM CC(C)n1cnnc1C1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000272709406 210113990 /nfs/dbraw/zinc/11/39/90/210113990.db2.gz CIUKPKFURHRHFU-UHFFFAOYSA-N -1 3 314.389 2.584 20 0 DFADHM COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000272706636 210111507 /nfs/dbraw/zinc/11/15/07/210111507.db2.gz CNKULPQDXRTSLK-HUUCEWRRSA-N -1 3 305.374 2.634 20 0 DFADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(C)c(C)s2)s1 ZINC000091042958 398505423 /nfs/dbraw/zinc/50/54/23/398505423.db2.gz KSDFNEJOECWMCN-UHFFFAOYSA-N -1 3 302.446 2.608 20 0 DFADHM CCc1c(C(=O)[N-]c2cnoc2)nnn1-c1cccc(Cl)c1 ZINC000596832579 398509704 /nfs/dbraw/zinc/50/97/04/398509704.db2.gz JHIUQPMPARREPP-UHFFFAOYSA-N -1 3 317.736 2.723 20 0 DFADHM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc2n[n-]nc2c1 ZINC000031136079 398511139 /nfs/dbraw/zinc/51/11/39/398511139.db2.gz PKIKTVGHBORXIK-UHFFFAOYSA-N -1 3 321.340 2.559 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000031075804 398510298 /nfs/dbraw/zinc/51/02/98/398510298.db2.gz QDVWCSSANSWZIM-MGPQQGTHSA-N -1 3 312.435 2.929 20 0 DFADHM CCC[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000031216344 398513084 /nfs/dbraw/zinc/51/30/84/398513084.db2.gz KKJUIIXMDHMHMI-MRXNPFEDSA-N -1 3 313.401 2.587 20 0 DFADHM C[C@H]1COCC[C@@H]1CNCc1cccc([O-])c1Br ZINC000459543390 299130135 /nfs/dbraw/zinc/13/01/35/299130135.db2.gz XVUDRNQVJCWPEC-WDEREUQCSA-N -1 3 314.223 2.917 20 0 DFADHM CCc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)ccc1[O-] ZINC000413928614 295749765 /nfs/dbraw/zinc/74/97/65/295749765.db2.gz AMOIUFPHSFJEGS-DLBZAZTESA-N -1 3 311.381 2.903 20 0 DFADHM COCCN(CCOC)Cc1c2ccccc2sc1C(=O)[O-] ZINC000314753983 398521065 /nfs/dbraw/zinc/52/10/65/398521065.db2.gz FNGSNBMLORWGGP-UHFFFAOYSA-N -1 3 323.414 2.694 20 0 DFADHM CC[C@@H](NCc1cccc([O-])c1Br)[C@@H](O)C(F)F ZINC000459563075 299134945 /nfs/dbraw/zinc/13/49/45/299134945.db2.gz GSBDWTOKGHCIET-LDYMZIIASA-N -1 3 324.165 2.649 20 0 DFADHM CCN1CCC[C@H](Nc2ncnc3sc(C(=O)[O-])c(C)c32)C1 ZINC000315395258 398525542 /nfs/dbraw/zinc/52/55/42/398525542.db2.gz LOACUHZODQOQOI-JTQLQIEISA-N -1 3 320.418 2.594 20 0 DFADHM CC[C@H]1[C@@H](CO)CCN1Cc1cccc([O-])c1Br ZINC000459571167 299136668 /nfs/dbraw/zinc/13/66/68/299136668.db2.gz OHNJOECEQCNJIU-NEPJUHHUSA-N -1 3 314.223 2.748 20 0 DFADHM COCC[C@@H](NC(=O)c1ccc(OC)cc1[O-])c1ccco1 ZINC000272657752 210062893 /nfs/dbraw/zinc/06/28/93/210062893.db2.gz HZYCFCFIULOVMQ-CYBMUJFWSA-N -1 3 305.330 2.501 20 0 DFADHM CCO[N-]C(=O)/C=C/c1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000073083456 282519978 /nfs/dbraw/zinc/51/99/78/282519978.db2.gz OBBJTHCEYASLHF-ZHACJKMWSA-N -1 3 313.401 2.938 20 0 DFADHM COc1cc(C(=O)N[C@@H](C)C[C@H](O)c2cccs2)ccc1[O-] ZINC000272652768 210057171 /nfs/dbraw/zinc/05/71/71/210057171.db2.gz QGUDHKAMZVDJJP-GWCFXTLKSA-N -1 3 321.398 2.704 20 0 DFADHM CN(C[C@H]1CCCOC1)c1c(C(=O)[O-])cnc2ccccc21 ZINC000315918634 398528786 /nfs/dbraw/zinc/52/87/86/398528786.db2.gz VPCLKTAMHRZIPC-GFCCVEGCSA-N -1 3 300.358 2.796 20 0 DFADHM COC(=O)c1ccc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)[nH]1 ZINC000414062581 295762560 /nfs/dbraw/zinc/76/25/60/295762560.db2.gz BYFHWCOOIFUBSZ-WAYWQWQTSA-N -1 3 301.346 2.765 20 0 DFADHM O=S(=O)([N-]CCCSc1ccccn1)c1cccs1 ZINC000567115992 302337105 /nfs/dbraw/zinc/33/71/05/302337105.db2.gz MHRNAQRXYPILDG-UHFFFAOYSA-N -1 3 314.457 2.604 20 0 DFADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000317174202 398534513 /nfs/dbraw/zinc/53/45/13/398534513.db2.gz UNFXZOKFXHECOB-ZDUSSCGKSA-N -1 3 306.362 2.918 20 0 DFADHM CCc1nc(C2(NC(=O)c3ccc([O-])c(C)c3)CCCC2)no1 ZINC000272635775 210038773 /nfs/dbraw/zinc/03/87/73/210038773.db2.gz LALASFLCRVCGDM-UHFFFAOYSA-N -1 3 315.373 2.845 20 0 DFADHM [O-]c1ccc(Br)c(CN2CC3(C2)CCCOC3)c1 ZINC000459601931 299145154 /nfs/dbraw/zinc/14/51/54/299145154.db2.gz CVEBEYUAAMKQRZ-UHFFFAOYSA-N -1 3 312.207 2.767 20 0 DFADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000123818571 185845172 /nfs/dbraw/zinc/84/51/72/185845172.db2.gz QDXKYMNTQBBKMR-JTQLQIEISA-N -1 3 323.817 2.556 20 0 DFADHM CC(C)CN1CCN(c2c(C(=O)[O-])cnc3ccccc32)CC1 ZINC000320231247 398546779 /nfs/dbraw/zinc/54/67/79/398546779.db2.gz DWEWSKBFINOPKI-UHFFFAOYSA-N -1 3 313.401 2.711 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c([O-])cccc1O ZINC000092106370 398559465 /nfs/dbraw/zinc/55/94/65/398559465.db2.gz BNKMWMWDUBFLTC-RKDXNWHRSA-N -1 3 303.280 2.949 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCc2c3ccccc3[nH]c2C1 ZINC000092126470 398559629 /nfs/dbraw/zinc/55/96/29/398559629.db2.gz SWHZAXJCQHPXPN-UHFFFAOYSA-N -1 3 308.337 2.778 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)C2(CCF)CC2)c1[O-] ZINC000589528064 398559683 /nfs/dbraw/zinc/55/96/83/398559683.db2.gz JITORBZYWOXUFV-UHFFFAOYSA-N -1 3 315.728 2.911 20 0 DFADHM Cc1c([N-]S(=O)(=O)CCC2CC2)cnn1-c1ccccc1 ZINC000092277992 398564455 /nfs/dbraw/zinc/56/44/55/398564455.db2.gz DIOVSBLIFSMXHT-UHFFFAOYSA-N -1 3 305.403 2.723 20 0 DFADHM Cc1ccn2ncc(C(=O)Nc3cc(Cl)ccc3[O-])c2n1 ZINC000069392773 398568263 /nfs/dbraw/zinc/56/82/63/398568263.db2.gz CVJJGDBWOYNIPC-UHFFFAOYSA-N -1 3 302.721 2.649 20 0 DFADHM Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000069497437 398573517 /nfs/dbraw/zinc/57/35/17/398573517.db2.gz VCOBKKXUQSRQPW-LLVKDONJSA-N -1 3 313.401 2.804 20 0 DFADHM O=C(NC[C@H]1CCCOC1)c1cc([O-])ccc1C(F)(F)F ZINC000279904381 215223731 /nfs/dbraw/zinc/22/37/31/215223731.db2.gz LQSAUCWHGVJJHO-SECBINFHSA-N -1 3 303.280 2.567 20 0 DFADHM Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c([O-])c1 ZINC000069691293 398580264 /nfs/dbraw/zinc/58/02/64/398580264.db2.gz MJWUKGCTJZWSLH-MRXNPFEDSA-N -1 3 316.376 2.872 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1[O-] ZINC000092575235 398585697 /nfs/dbraw/zinc/58/56/97/398585697.db2.gz ADQPLLOSFDQBGE-CQSZACIVSA-N -1 3 324.380 2.515 20 0 DFADHM CC(C)(C)OC(=O)N1CC(CC(=O)Nc2cccc([O-])c2F)C1 ZINC000128357311 282977447 /nfs/dbraw/zinc/97/74/47/282977447.db2.gz GGTIYDOXKMXESP-UHFFFAOYSA-N -1 3 324.352 2.727 20 0 DFADHM CC(C)OC1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000593261927 398584664 /nfs/dbraw/zinc/58/46/64/398584664.db2.gz CNVYKFQEUPZPNK-UHFFFAOYSA-N -1 3 314.385 2.558 20 0 DFADHM Cc1c([O-])ccc2c(CN3CCC[C@](C)(O)CC3)cc(=O)oc12 ZINC000279953793 215267247 /nfs/dbraw/zinc/26/72/47/215267247.db2.gz GTPFOROYAAALQL-SFHVURJKSA-N -1 3 317.385 2.544 20 0 DFADHM COC(=O)c1cc(CN2CCCC[C@@H]2CC(=O)[O-])c(C)s1 ZINC000593291864 398590659 /nfs/dbraw/zinc/59/06/59/398590659.db2.gz VGIJVUMXICVBCD-GFCCVEGCSA-N -1 3 311.403 2.672 20 0 DFADHM COc1ccccc1OCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350477048 398605243 /nfs/dbraw/zinc/60/52/43/398605243.db2.gz GBIOKLGINZQUNT-UHFFFAOYSA-N -1 3 323.312 2.596 20 0 DFADHM [O-]c1ccc(F)c(CN2CCC(c3ccncn3)CC2)c1F ZINC000414472422 295804179 /nfs/dbraw/zinc/80/41/79/295804179.db2.gz RTRZEKAOILOWBJ-UHFFFAOYSA-N -1 3 305.328 2.840 20 0 DFADHM COC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ccccc1[O-] ZINC000590415078 398620337 /nfs/dbraw/zinc/62/03/37/398620337.db2.gz MZHWQHJLEMNVKL-UHFFFAOYSA-N -1 3 324.336 2.841 20 0 DFADHM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000590441233 398622313 /nfs/dbraw/zinc/62/23/13/398622313.db2.gz VSGCIZVKCHBGOK-GHMZBOCLSA-N -1 3 305.403 2.673 20 0 DFADHM CSCc1c2ccccc2oc1C(=O)[N-]c1ncn(C)n1 ZINC000590470918 398624500 /nfs/dbraw/zinc/62/45/00/398624500.db2.gz WKCSJRMBQUQPNV-UHFFFAOYSA-N -1 3 302.359 2.677 20 0 DFADHM C[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](C2CC2)O1 ZINC000280012447 215310798 /nfs/dbraw/zinc/31/07/98/215310798.db2.gz MVITZMBQJVTMRM-ZBEGNZNMSA-N -1 3 312.369 2.580 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000152434160 186072685 /nfs/dbraw/zinc/07/26/85/186072685.db2.gz DOCWAIZGHTUWAR-KBPBESRZSA-N -1 3 304.296 2.711 20 0 DFADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cnc(-c2ccccc2)nc1 ZINC000155807071 186114319 /nfs/dbraw/zinc/11/43/19/186114319.db2.gz WWPQDDGDDVDYES-AWEZNQCLSA-N -1 3 314.345 2.723 20 0 DFADHM O=C([N-]O[C@H]1CCCCO1)Nc1cnc(-c2ccccc2)nc1 ZINC000155807071 186114321 /nfs/dbraw/zinc/11/43/21/186114321.db2.gz WWPQDDGDDVDYES-AWEZNQCLSA-N -1 3 314.345 2.723 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C[C@H](C)[C@@H]2CCCO2)c([O-])c1 ZINC000597440807 398640941 /nfs/dbraw/zinc/64/09/41/398640941.db2.gz GKCKUFVAGLOGLG-NHYWBVRUSA-N -1 3 321.373 2.713 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2OC(C)(C)C)c([O-])c1 ZINC000597441434 398641427 /nfs/dbraw/zinc/64/14/27/398641427.db2.gz NKVGXZVGPBBWSR-BXUZGUMPSA-N -1 3 321.373 2.711 20 0 DFADHM Cc1nnc(SCCC(=O)Nc2cccc(Cl)c2[O-])[nH]1 ZINC000179725371 186210836 /nfs/dbraw/zinc/21/08/36/186210836.db2.gz UGIULLSCEWGVLZ-UHFFFAOYSA-N -1 3 312.782 2.593 20 0 DFADHM CCSc1cccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000072875295 398644847 /nfs/dbraw/zinc/64/48/47/398644847.db2.gz DSVRNXCFRFYPFH-UHFFFAOYSA-N -1 3 317.414 2.680 20 0 DFADHM Cc1[nH]nc2cc([N-]S(=O)(=O)CCc3ccccc3)ccc12 ZINC000093909369 398649734 /nfs/dbraw/zinc/64/97/34/398649734.db2.gz DYQZPYJXJJDHTP-UHFFFAOYSA-N -1 3 315.398 2.856 20 0 DFADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(C)c1OC ZINC000414680859 295815454 /nfs/dbraw/zinc/81/54/54/295815454.db2.gz LTKNGVWZSAUYCL-INIZCTEOSA-N -1 3 315.369 2.928 20 0 DFADHM COc1ccc(C(=O)N(Cc2cccnc2)C(C)C)c([O-])c1 ZINC000094020617 398651721 /nfs/dbraw/zinc/65/17/21/398651721.db2.gz XKNRSKZFVOUYDN-UHFFFAOYSA-N -1 3 300.358 2.847 20 0 DFADHM CCc1ccc([O-])c(C(=O)N(CCOC)Cc2ccccn2)c1 ZINC000094035036 398652023 /nfs/dbraw/zinc/65/20/23/398652023.db2.gz JJFGJZBONTYJTF-UHFFFAOYSA-N -1 3 314.385 2.638 20 0 DFADHM CCCN(CCN1CCCC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000270469446 186399959 /nfs/dbraw/zinc/39/99/59/186399959.db2.gz BIVFNKBIXMUBLA-UHFFFAOYSA-N -1 3 320.462 2.705 20 0 DFADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000593550572 398654438 /nfs/dbraw/zinc/65/44/38/398654438.db2.gz YOJQVXUQHOYSAB-LBPRGKRZSA-N -1 3 323.817 2.555 20 0 DFADHM COc1ccccc1-c1noc([C@H](C)[N-]C(=O)C(C)(F)F)n1 ZINC000289299981 186608608 /nfs/dbraw/zinc/60/86/08/186608608.db2.gz VDZYRLHSOKHPTO-QMMMGPOBSA-N -1 3 311.288 2.578 20 0 DFADHM CCC(C)(C)CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000073018787 398655353 /nfs/dbraw/zinc/65/53/53/398655353.db2.gz QCKOXSTWQFUMCZ-KRWDZBQOSA-N -1 3 317.389 2.506 20 0 DFADHM CCCC[C@H](CC)CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000117412632 282746971 /nfs/dbraw/zinc/74/69/71/282746971.db2.gz DCFBTCDJOLKOLQ-AWEZNQCLSA-N -1 3 320.433 2.845 20 0 DFADHM CC(C)C(=O)Nc1nc(CC(=O)Nc2ccccc2[O-])cs1 ZINC000045012458 398659005 /nfs/dbraw/zinc/65/90/05/398659005.db2.gz TYCIYYUOUQXFQX-UHFFFAOYSA-N -1 3 319.386 2.624 20 0 DFADHM CC(C)(C)OC(=O)[C@]1(C(=O)Nc2ncccc2[O-])CC=CCC1 ZINC000593596239 398659254 /nfs/dbraw/zinc/65/92/54/398659254.db2.gz ZCPRBUWNEHLPQZ-QGZVFWFLSA-N -1 3 318.373 2.794 20 0 DFADHM Cc1ccc(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c([O-])c1 ZINC000280075101 215357795 /nfs/dbraw/zinc/35/77/95/215357795.db2.gz PYYBQMLEPVWNRW-LLVKDONJSA-N -1 3 301.346 2.570 20 0 DFADHM O=C(Cc1ccc(-n2cccn2)cc1)Nc1cccc([O-])c1F ZINC000128566026 282984293 /nfs/dbraw/zinc/98/42/93/282984293.db2.gz RWPLJUZQMHPIDW-UHFFFAOYSA-N -1 3 311.316 2.898 20 0 DFADHM 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ZINC000417604182 296034842 /nfs/dbraw/zinc/03/48/42/296034842.db2.gz BDPSJZRSJJOOSP-AWEZNQCLSA-N -1 3 309.431 2.937 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(OCCC(C)C)c1 ZINC000193319697 201030088 /nfs/dbraw/zinc/03/00/88/201030088.db2.gz YXGMMECEDNTMOU-CYBMUJFWSA-N -1 3 315.435 2.888 20 0 DFADHM O=C([O-])C1(CNCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000417608615 296035212 /nfs/dbraw/zinc/03/52/12/296035212.db2.gz JJEARVHEBMLBSX-UHFFFAOYSA-N -1 3 305.708 2.896 20 0 DFADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000193332871 201032510 /nfs/dbraw/zinc/03/25/10/201032510.db2.gz WTUZQEAKEUPFOW-JTQLQIEISA-N -1 3 317.382 2.534 20 0 DFADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(SC)c(Cl)c1 ZINC000193332813 201032842 /nfs/dbraw/zinc/03/28/42/201032842.db2.gz HZBNKXLTXFJWPL-QMMMGPOBSA-N -1 3 309.840 2.839 20 0 DFADHM O=C([O-])C1(CNCc2cccc(Br)c2F)CCC1 ZINC000417616277 296035894 /nfs/dbraw/zinc/03/58/94/296035894.db2.gz HAZPMRHVSGBMPG-UHFFFAOYSA-N -1 3 316.170 2.933 20 0 DFADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1ccc(F)cc1Br ZINC000417616492 296035978 /nfs/dbraw/zinc/03/59/78/296035978.db2.gz VDRLOLRQCTUNEU-SFYZADRCSA-N -1 3 304.159 2.787 20 0 DFADHM CCOc1cccc(CNC[C@H](Oc2ccccc2)C(=O)[O-])c1 ZINC000417638297 296037429 /nfs/dbraw/zinc/03/74/29/296037429.db2.gz JJJAQMSTDMUTIP-KRWDZBQOSA-N -1 3 315.369 2.707 20 0 DFADHM CCOc1ccccc1CNC[C@H](Oc1ccccc1)C(=O)[O-] ZINC000417638898 296037434 /nfs/dbraw/zinc/03/74/34/296037434.db2.gz KQBBGOZTTWMLIE-KRWDZBQOSA-N -1 3 315.369 2.707 20 0 DFADHM O=C([O-])COCCNCc1ccc(-c2ccc(F)cc2)s1 ZINC000417628470 296036680 /nfs/dbraw/zinc/03/66/80/296036680.db2.gz UVLSHONMWFRIBL-UHFFFAOYSA-N -1 3 309.362 2.745 20 0 DFADHM C[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@H]1CCO ZINC000618018582 398973584 /nfs/dbraw/zinc/97/35/84/398973584.db2.gz JSGWYMQPTMQCJF-GUYCJALGSA-N -1 3 317.429 2.894 20 0 DFADHM CC(C)=CCSC[C@@H](NCc1cccc2c1OCO2)C(=O)[O-] ZINC000417630170 296037002 /nfs/dbraw/zinc/03/70/02/296037002.db2.gz TXNHJJTVROPOAU-CYBMUJFWSA-N -1 3 323.414 2.658 20 0 DFADHM COC[C@H](NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000417635354 296037174 /nfs/dbraw/zinc/03/71/74/296037174.db2.gz WMXOIHPDYGQNAC-JTQLQIEISA-N -1 3 311.687 2.548 20 0 DFADHM Cn1cnc2cc(CN[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)ccc21 ZINC000417634269 296037176 /nfs/dbraw/zinc/03/71/76/296037176.db2.gz VINZVEBXGCDCPI-CVEARBPZSA-N -1 3 321.380 2.976 20 0 DFADHM COc1cc(C(=O)NC[C@@H]2CCC(F)(F)C2)cc(OC)c1[O-] ZINC000281473755 216324736 /nfs/dbraw/zinc/32/47/36/216324736.db2.gz CSWUFSOJIUMHPK-SECBINFHSA-N -1 3 315.316 2.575 20 0 DFADHM C[C@@H](CC(=O)Nc1ccc(Cl)cc1[O-])N1CCCCC1=O ZINC000193690285 201105639 /nfs/dbraw/zinc/10/56/39/201105639.db2.gz PDZKBNVPERUOJK-JTQLQIEISA-N -1 3 310.781 2.775 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc([O-])ccc1C(F)(F)F ZINC000281475917 216326769 /nfs/dbraw/zinc/32/67/69/216326769.db2.gz DTEGIEJKRUDLRJ-NOZJJQNGSA-N -1 3 317.307 2.692 20 0 DFADHM CCOC[C@@H](NCc1ccc(C(F)(F)F)cc1C)C(=O)[O-] ZINC000417664380 296039301 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CNC(=O)c1ccc(Cl)c(NC([O-])=NOC2CCCC2)c1 ZINC000271835853 209254415 /nfs/dbraw/zinc/25/44/15/209254415.db2.gz SYDBLRCFRMVDRM-UHFFFAOYSA-N -1 3 311.769 2.695 20 0 DFADHM CNC(=O)c1ccc(Cl)c(NC(=O)[N-]OC2CCCC2)c1 ZINC000271835853 209254418 /nfs/dbraw/zinc/25/44/18/209254418.db2.gz SYDBLRCFRMVDRM-UHFFFAOYSA-N -1 3 311.769 2.695 20 0 DFADHM CC(C)N1CCO[C@H](c2noc(/C=C/c3cccc([O-])c3)n2)C1 ZINC000275525935 212393783 /nfs/dbraw/zinc/39/37/83/212393783.db2.gz POQMBIWIOWQMFU-LFAOLKIESA-N -1 3 315.373 2.727 20 0 DFADHM Cc1ccc(NC(=O)C[C@H](C)NCc2ncccc2[O-])c(C)c1 ZINC000475344870 299346546 /nfs/dbraw/zinc/34/65/46/299346546.db2.gz XVGKXLFCDWVYMA-AWEZNQCLSA-N -1 3 313.401 2.911 20 0 DFADHM O=S(=O)([N-]CC1(Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000275490030 212368406 /nfs/dbraw/zinc/36/84/06/212368406.db2.gz PFUOCHSCHAMLIJ-UHFFFAOYSA-N -1 3 309.362 2.720 20 0 DFADHM CC(C)O[C@H]1C[C@@H](NC(=O)c2ccc3[nH][n-]c(=O)c3c2)C1(C)C ZINC000613552190 399017559 /nfs/dbraw/zinc/01/75/59/399017559.db2.gz 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399028399 /nfs/dbraw/zinc/02/83/99/399028399.db2.gz IJFLPBSTZWGCAL-UHFFFAOYSA-N -1 3 322.368 2.901 20 0 DFADHM Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000171051819 399031759 /nfs/dbraw/zinc/03/17/59/399031759.db2.gz ULDKKSNSGZUDJS-UHFFFAOYSA-N -1 3 319.368 2.720 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000600330624 399033742 /nfs/dbraw/zinc/03/37/42/399033742.db2.gz GOHDASKMDCJGFF-OLZOCXBDSA-N -1 3 319.401 2.832 20 0 DFADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600347203 399034641 /nfs/dbraw/zinc/03/46/41/399034641.db2.gz PYOBLWKFMTZUGZ-DOMZBBRYSA-N -1 3 319.401 2.832 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NCCc1ccc(Cl)cc1 ZINC000255137522 283856989 /nfs/dbraw/zinc/85/69/89/283856989.db2.gz QYGORBLNIOSBMJ-UTCJRWHESA-N -1 3 302.761 2.813 20 0 DFADHM CC(C)c1ccc(C(=O)NC[C@H](CO)Cc2ccco2)c([O-])c1 ZINC000613603615 399036007 /nfs/dbraw/zinc/03/60/07/399036007.db2.gz NTWMKYZHSBAISZ-CYBMUJFWSA-N -1 3 317.385 2.690 20 0 DFADHM CC(C)OCCS(=O)(=O)[N-]c1cccc(Br)c1 ZINC000091946149 193129644 /nfs/dbraw/zinc/12/96/44/193129644.db2.gz QKDHLCQXFAVGEC-UHFFFAOYSA-N -1 3 322.224 2.616 20 0 DFADHM CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000091983881 193135806 /nfs/dbraw/zinc/13/58/06/193135806.db2.gz PSRXQRDBYMLXEA-GFCCVEGCSA-N -1 3 320.389 2.522 20 0 DFADHM C[C@@H](CNC(=O)/C=C\c1cncc([O-])c1)Oc1ccc(F)cc1 ZINC000255440271 283880148 /nfs/dbraw/zinc/88/01/48/283880148.db2.gz MDMXZVQGTZHZTA-PHATZWCLSA-N -1 3 316.332 2.523 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000600379351 399042596 /nfs/dbraw/zinc/04/25/96/399042596.db2.gz MXKRWKOPQMOMGM-CYBMUJFWSA-N -1 3 319.368 2.587 20 0 DFADHM O=S(=O)([N-][C@@H]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000057708660 399055730 /nfs/dbraw/zinc/05/57/30/399055730.db2.gz HCMSOGRPQLBJRH-CYBMUJFWSA-N -1 3 323.364 2.801 20 0 DFADHM CCCCOCCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000057718589 399058825 /nfs/dbraw/zinc/05/88/25/399058825.db2.gz HYKBOYFBOYUDQF-UHFFFAOYSA-N -1 3 311.856 2.887 20 0 DFADHM CC(C)[C@@H](CO)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000275281183 212246091 /nfs/dbraw/zinc/24/60/91/212246091.db2.gz DSYGPNWNXUIVJW-SECBINFHSA-N -1 3 313.810 2.538 20 0 DFADHM COc1ncc(C(=O)[N-]c2nc(SC)ns2)cc1Cl ZINC000478659568 299368739 /nfs/dbraw/zinc/36/87/39/299368739.db2.gz LDIBUKJCXLDHOY-UHFFFAOYSA-N -1 3 316.795 2.569 20 0 DFADHM CCOc1cc(CN2CC[C@H](C)[C@H](CO)C2)cc(Cl)c1[O-] ZINC000621737832 399059417 /nfs/dbraw/zinc/05/94/17/399059417.db2.gz WZLHSCZAPUIBKH-AAEUAGOBSA-N -1 3 313.825 2.895 20 0 DFADHM CO[C@H]1CCCC[C@H]1NCc1cc(=O)oc2cc([O-])ccc12 ZINC000275272704 212239844 /nfs/dbraw/zinc/23/98/44/212239844.db2.gz VDNYFYSQSGMJDL-CABCVRRESA-N -1 3 303.358 2.546 20 0 DFADHM COC(=O)c1c(C)nc(=O)[n-]c1SC[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000600511673 399067696 /nfs/dbraw/zinc/06/76/96/399067696.db2.gz PBDUKAPYOKELIN-HBNTYKKESA-N -1 3 306.387 2.582 20 0 DFADHM [O-]c1cccc(CN[C@@H]2COc3ccccc3[C@@H]2O)c1Cl ZINC000293085612 223389886 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2.928 20 0 DFADHM COc1cccc(C(=O)N(C)[C@@H](CCO)c2ccccc2)c1[O-] ZINC000158510526 197280092 /nfs/dbraw/zinc/28/00/92/197280092.db2.gz BLUBATNXQZAPMY-HNNXBMFYSA-N -1 3 315.369 2.597 20 0 DFADHM COC(=O)Nc1cccc(NC(=O)C=Cc2cncc([O-])c2)c1 ZINC000492381514 299577314 /nfs/dbraw/zinc/57/73/14/299577314.db2.gz CILOQCXMXGXXLG-WAYWQWQTSA-N -1 3 313.313 2.617 20 0 DFADHM COC(=O)CCN(CC(C)C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271313119 208805338 /nfs/dbraw/zinc/80/53/38/208805338.db2.gz XEHCPNJKXOSQRZ-UHFFFAOYSA-N -1 3 307.390 2.670 20 0 DFADHM O=C(CCc1nnc(C(F)F)o1)Nc1ccc(Cl)cc1[O-] ZINC000632139481 399580706 /nfs/dbraw/zinc/58/07/06/399580706.db2.gz RCKAGEQDCXKTRE-UHFFFAOYSA-N -1 3 317.679 2.938 20 0 DFADHM CO[C@H](CN1CCc2c(F)ccc(C(=O)[O-])c2C1)C1CCC1 ZINC000629366977 399580306 /nfs/dbraw/zinc/58/03/06/399580306.db2.gz BUBVHBIEVSOODV-MRXNPFEDSA-N -1 3 307.365 2.697 20 0 DFADHM CN(Cc1ccncc1Cl)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000629360889 399578184 /nfs/dbraw/zinc/57/81/84/399578184.db2.gz 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/nfs/dbraw/zinc/58/46/58/399584658.db2.gz QDKJGZXLUCOTDF-UHFFFAOYSA-N -1 3 303.468 2.882 20 0 DFADHM CC(C)Oc1ccnc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c1 ZINC000629378368 399586832 /nfs/dbraw/zinc/58/68/32/399586832.db2.gz RSLQWUGJSASRNW-IKGGRYGDSA-N -1 3 318.417 2.944 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C[C@]2(C)C[C@H]3C[C@H]3C2)c(F)c1 ZINC000625561286 399587165 /nfs/dbraw/zinc/58/71/65/399587165.db2.gz SFKPTQKNEQUREY-QHBPRCKVSA-N -1 3 313.394 2.549 20 0 DFADHM CCC(=O)Nc1ccc(NC(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000492399919 299581648 /nfs/dbraw/zinc/58/16/48/299581648.db2.gz PSQAKJNYTSRJOR-BAQGIRSFSA-N -1 3 311.341 2.788 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000492401205 299581586 /nfs/dbraw/zinc/58/15/86/299581586.db2.gz UBTMGXRTFWBUQR-QXJVMSCWSA-N -1 3 324.380 2.694 20 0 DFADHM C[C@H]1CCCC[C@@H]1OCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000156505876 197118944 /nfs/dbraw/zinc/11/89/44/197118944.db2.gz TWWVBBJXCTXLRS-LRDDRELGSA-N -1 3 324.396 2.926 20 0 DFADHM COC(=O)c1ccc([N-]C(=O)c2cc(C(C)C)on2)c(F)c1 ZINC000156428834 197112402 /nfs/dbraw/zinc/11/24/02/197112402.db2.gz ZFLUNMCRHHADPW-UHFFFAOYSA-N -1 3 306.293 2.976 20 0 DFADHM CC1(CC(=O)NCCNC(=O)c2ccc([O-])cc2)CCCCC1 ZINC000156262414 197099379 /nfs/dbraw/zinc/09/93/79/197099379.db2.gz OKYGKBKEODPRSQ-UHFFFAOYSA-N -1 3 318.417 2.599 20 0 DFADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cnn(-c2ccccc2F)c1 ZINC000156180856 197092792 /nfs/dbraw/zinc/09/27/92/197092792.db2.gz NOKZHMMHURFSDR-CQSZACIVSA-N -1 3 320.324 2.591 20 0 DFADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cnn(-c2ccccc2F)c1 ZINC000156180856 197092793 /nfs/dbraw/zinc/09/27/93/197092793.db2.gz NOKZHMMHURFSDR-CQSZACIVSA-N -1 3 320.324 2.591 20 0 DFADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(OC(F)F)cc1 ZINC000155545300 197065666 /nfs/dbraw/zinc/06/56/66/197065666.db2.gz AWXFYFQCNKGKKS-NSHDSACASA-N -1 3 302.277 2.868 20 0 DFADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(OC(F)F)cc1 ZINC000155545300 197065667 /nfs/dbraw/zinc/06/56/67/197065667.db2.gz AWXFYFQCNKGKKS-NSHDSACASA-N -1 3 302.277 2.868 20 0 DFADHM O=C(c1cc([O-])cc(Br)c1)N1CCCSCC1 ZINC000624219992 399601701 /nfs/dbraw/zinc/60/17/01/399601701.db2.gz GFRLYTUTILUONL-UHFFFAOYSA-N -1 3 316.220 2.734 20 0 DFADHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000347890551 285227332 /nfs/dbraw/zinc/22/73/32/285227332.db2.gz AMLJHBNIYWLGMF-CYBMUJFWSA-N -1 3 301.456 2.849 20 0 DFADHM Cc1ncc(C(=O)[N-]O[C@H]2CCCCO2)c(Cl)c1Cl ZINC000155133839 197025011 /nfs/dbraw/zinc/02/50/11/197025011.db2.gz ISFGKLHFSMQPPZ-VIFPVBQESA-N -1 3 305.161 2.885 20 0 DFADHM O=C(N[C@@H]1CCO[C@@H]1c1cccnc1)c1cc([O-])ccc1Cl ZINC000347903858 285234290 /nfs/dbraw/zinc/23/42/90/285234290.db2.gz QYLXWNWDARYQAN-HUUCEWRRSA-N -1 3 318.760 2.701 20 0 DFADHM CCOc1ccc([C@@H](C)NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000010978177 542418986 /nfs/dbraw/zinc/41/89/86/542418986.db2.gz WGTIAJQJBUWVGT-LLVKDONJSA-N -1 3 310.357 2.848 20 0 DFADHM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)/C=C/c1cncc([O-])c1 ZINC000492444595 299589658 /nfs/dbraw/zinc/58/96/58/299589658.db2.gz 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/nfs/dbraw/zinc/46/59/61/542465961.db2.gz HNOZLZAJQRQBHM-UHFFFAOYSA-N -1 3 307.235 2.624 20 0 DFADHM Cc1nnccc1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000347935837 285256289 /nfs/dbraw/zinc/25/62/89/285256289.db2.gz SJOPWYHCJBBRHH-UHFFFAOYSA-N -1 3 322.324 2.627 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000120509798 195180211 /nfs/dbraw/zinc/18/02/11/195180211.db2.gz JDMLOLLMYHAKGN-VMPITWQZSA-N -1 3 309.412 2.748 20 0 DFADHM CC(C)C[C@H](C(=O)[O-])N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000629483984 399619183 /nfs/dbraw/zinc/61/91/83/399619183.db2.gz MYSCEVFWVSMQGX-MRXNPFEDSA-N -1 3 324.465 2.600 20 0 DFADHM CC[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1cncc([O-])c1 ZINC000617167933 399619983 /nfs/dbraw/zinc/61/99/83/399619983.db2.gz QCESETPSWGAJOB-HNNXBMFYSA-N -1 3 302.349 2.606 20 0 DFADHM COc1cccc([C@H](C)NCC(=O)[N-]OCc2ccccc2)c1 ZINC000271616256 209062260 /nfs/dbraw/zinc/06/22/60/209062260.db2.gz CGQBSRWJWJDJCR-AWEZNQCLSA-N -1 3 314.385 2.594 20 0 DFADHM Cc1cn(C2CCOCC2)nc1C(=O)Nc1c(C)cccc1[O-] ZINC000632265451 399620794 /nfs/dbraw/zinc/62/07/94/399620794.db2.gz XQKKYQADNQFCBZ-UHFFFAOYSA-N -1 3 315.373 2.809 20 0 DFADHM CC[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)OC ZINC000289506822 221026857 /nfs/dbraw/zinc/02/68/57/221026857.db2.gz LKOYBOQLOQUGGT-QMMMGPOBSA-N -1 3 312.218 2.697 20 0 DFADHM [O-]c1cc(CN[C@@H]2CCCn3ncnc32)cc(C(F)(F)F)c1 ZINC000289556890 221064727 /nfs/dbraw/zinc/06/47/27/221064727.db2.gz QPORCTKDGYQTJO-GFCCVEGCSA-N -1 3 312.295 2.627 20 0 DFADHM C[C@@H]1CN(Cc2cnc(-c3ccccc3)nc2)CC[C@H]1C(=O)[O-] ZINC000629502294 399626342 /nfs/dbraw/zinc/62/63/42/399626342.db2.gz ZYNRAZQGQOIJHA-CZUORRHYSA-N -1 3 311.385 2.686 20 0 DFADHM C[C@@H]1SCCN(C(=O)c2cc(=O)[n-]cn2)[C@@H]1c1ccccc1 ZINC000625731557 399627300 /nfs/dbraw/zinc/62/73/00/399627300.db2.gz GCWNVYNLDUKWTK-NHYWBVRUSA-N -1 3 315.398 2.501 20 0 DFADHM CCNC(=O)OC[C@H]1CCCCN1Cc1cc([O-])cc(F)c1 ZINC000289647162 221127713 /nfs/dbraw/zinc/12/77/13/221127713.db2.gz XVXNJJVEYYYMFN-CQSZACIVSA-N -1 3 310.369 2.632 20 0 DFADHM 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3 319.430 2.745 20 0 DFADHM Cc1nc(C)n(C[C@@H]2CCCN2Cc2cc([O-])ccc2Cl)n1 ZINC000625756675 399632379 /nfs/dbraw/zinc/63/23/79/399632379.db2.gz ZHFGSKWLRQQRPN-AWEZNQCLSA-N -1 3 320.824 2.919 20 0 DFADHM COCCOc1cc(C)ccc1NC([O-])=NOC/C=C/Cl ZINC000289844584 221264007 /nfs/dbraw/zinc/26/40/07/221264007.db2.gz NKUGSDUSFAUAQC-ZZXKWVIFSA-N -1 3 314.769 2.826 20 0 DFADHM COCCOc1cc(C)ccc1NC(=O)[N-]OC/C=C/Cl ZINC000289844584 221264011 /nfs/dbraw/zinc/26/40/11/221264011.db2.gz NKUGSDUSFAUAQC-ZZXKWVIFSA-N -1 3 314.769 2.826 20 0 DFADHM [O-]c1cc(F)cc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000289916843 221314518 /nfs/dbraw/zinc/31/45/18/221314518.db2.gz XJTRZOMQWSEOJU-CYBMUJFWSA-N -1 3 307.287 2.811 20 0 DFADHM Cc1csc([C@@H]2CCCN2[C@H](C)C(=O)[N-]c2cc(C)no2)n1 ZINC000624320863 399637951 /nfs/dbraw/zinc/63/79/51/399637951.db2.gz FSCLIGPCKBLMRL-NEPJUHHUSA-N -1 3 320.418 2.912 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC2CC1(c1ccccc1)C2 ZINC000621010255 399654640 /nfs/dbraw/zinc/65/46/40/399654640.db2.gz 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Cc1cccc([O-])c1C(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000627328953 399931687 /nfs/dbraw/zinc/93/16/87/399931687.db2.gz URGRYRISDJENMA-UHFFFAOYSA-N -1 3 311.337 2.714 20 0 DFADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000627494360 399938568 /nfs/dbraw/zinc/93/85/68/399938568.db2.gz IYAPQTNQUJLMCK-LLVKDONJSA-N -1 3 317.307 2.883 20 0 DFADHM O=C(Cc1cncc([O-])c1)N(CC1CC1)c1cccc(F)c1 ZINC000633750634 399942069 /nfs/dbraw/zinc/94/20/69/399942069.db2.gz GDHNPYMBHYSMAL-UHFFFAOYSA-N -1 3 300.333 2.912 20 0 DFADHM COc1cc(C(=O)N2CCCC(F)(F)CC2)cc(OC)c1[O-] ZINC000628634244 400043157 /nfs/dbraw/zinc/04/31/57/400043157.db2.gz OJEOGDNIKNGUQI-UHFFFAOYSA-N -1 3 315.316 2.671 20 0 DFADHM CN(CC1(C)COC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000628674959 400046547 /nfs/dbraw/zinc/04/65/47/400046547.db2.gz UPRSLNWFYYFNHZ-UHFFFAOYSA-N -1 3 303.280 2.520 20 0 DFADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000628104998 399985606 /nfs/dbraw/zinc/98/56/06/399985606.db2.gz 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COc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)c([O-])c1 ZINC000442694367 543355884 /nfs/dbraw/zinc/35/58/84/543355884.db2.gz JISHKBSOAZJKGS-UHFFFAOYSA-N -1 3 324.340 2.542 20 0 DFADHM COc1ccc(NC(=O)[C@@](C)(OC)c2ccccc2)c([O-])c1 ZINC000442689023 543355917 /nfs/dbraw/zinc/35/59/17/543355917.db2.gz NBOOYMVEIVIPQO-KRWDZBQOSA-N -1 3 301.342 2.901 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@@H](C)O[C@@H](C)C3)[n-]2)o1 ZINC000245688309 146092680 /nfs/dbraw/zinc/09/26/80/146092680.db2.gz AMBMILIRPDMUEG-JGPRNRPPSA-N -1 3 304.350 2.515 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@@H](C)O[C@@H](C)C3)n2)o1 ZINC000245688309 146092684 /nfs/dbraw/zinc/09/26/84/146092684.db2.gz AMBMILIRPDMUEG-JGPRNRPPSA-N -1 3 304.350 2.515 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H](C)O[C@@H](C)C3)n[n-]2)o1 ZINC000245688309 146092687 /nfs/dbraw/zinc/09/26/87/146092687.db2.gz AMBMILIRPDMUEG-JGPRNRPPSA-N -1 3 304.350 2.515 20 0 DFADHM COc1ccc(NC(=O)c2cc(=O)[nH]c(CC(C)C)c2)c([O-])c1 ZINC000443559886 543358317 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CC1CCN([C@@H](CNC(=O)CCC(=O)[O-])c2cccs2)CC1 ZINC000262111836 146334326 /nfs/dbraw/zinc/33/43/26/146334326.db2.gz KNAMYEYZIDFLKH-ZDUSSCGKSA-N -1 3 324.446 2.502 20 0 DFADHM Cc1cccc(CN(C)C(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000458423353 543389658 /nfs/dbraw/zinc/38/96/58/543389658.db2.gz RJIZPOVHZLQIFD-UHFFFAOYSA-N -1 3 303.337 2.576 20 0 DFADHM O=C([O-])CCCCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000262223629 146343622 /nfs/dbraw/zinc/34/36/22/146343622.db2.gz KWCXBSJPSYWKPB-UHFFFAOYSA-N -1 3 319.405 2.527 20 0 DFADHM Cc1cc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)ccc1[O-] ZINC000354346438 147002033 /nfs/dbraw/zinc/00/20/33/147002033.db2.gz UEYODPGWXRTCAL-UHFFFAOYSA-N -1 3 314.316 2.977 20 0 DFADHM Cc1cc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)ccc1[O-] ZINC000354356714 147005788 /nfs/dbraw/zinc/00/57/88/147005788.db2.gz FOSYUHFMIMBAGO-CQSZACIVSA-N -1 3 310.353 2.556 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)c2cnn3ncccc23)c1[O-] ZINC000354359942 147007627 /nfs/dbraw/zinc/00/76/27/147007627.db2.gz AMOPTPIVYVVISZ-UHFFFAOYSA-N -1 3 302.721 2.649 20 0 DFADHM O=c1[n-]c(-c2ccc(OC(F)(F)F)cc2)nc2cccnc21 ZINC000491659353 543406995 /nfs/dbraw/zinc/40/69/95/543406995.db2.gz IRNWGCCFXGUNIE-UHFFFAOYSA-N -1 3 307.231 2.884 20 0 DFADHM COCc1nnc(Sc2ncnc3sc(C)c(C)c32)[n-]1 ZINC000354397332 147022313 /nfs/dbraw/zinc/02/23/13/147022313.db2.gz URRJORVGBKUXRZ-UHFFFAOYSA-N -1 3 307.404 2.724 20 0 DFADHM COCc1nc(Sc2ncnc3sc(C)c(C)c32)n[n-]1 ZINC000354397332 147022315 /nfs/dbraw/zinc/02/23/15/147022315.db2.gz URRJORVGBKUXRZ-UHFFFAOYSA-N -1 3 307.404 2.724 20 0 DFADHM Cc1cc(C(=O)NCc2ccccc2-n2cccn2)ccc1[O-] ZINC000354419441 147029641 /nfs/dbraw/zinc/02/96/41/147029641.db2.gz XHIVCFCLBDFXIX-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)ccc1[O-] ZINC000354452845 147043972 /nfs/dbraw/zinc/04/39/72/147043972.db2.gz WGOYSLVZIMVSAI-UHFFFAOYSA-N -1 3 310.353 2.845 20 0 DFADHM Cc1cc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)ccc1[O-] ZINC000354622099 147094880 /nfs/dbraw/zinc/09/48/80/147094880.db2.gz DJGJGMBNVWVWBK-HNNXBMFYSA-N -1 3 324.380 2.515 20 0 DFADHM C[C@H](CCc1cccn1C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000354648056 147103361 /nfs/dbraw/zinc/10/33/61/147103361.db2.gz VJUCEHLDBOODKX-CYBMUJFWSA-N -1 3 323.400 2.561 20 0 DFADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000354698260 147118526 /nfs/dbraw/zinc/11/85/26/147118526.db2.gz UTTMQMFSVKDNHI-QMMMGPOBSA-N -1 3 316.732 2.744 20 0 DFADHM CSc1nnc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)[n-]1 ZINC000354769091 147145299 /nfs/dbraw/zinc/14/52/99/147145299.db2.gz HGIAJWMWYNRDKY-UHFFFAOYSA-N -1 3 318.402 2.745 20 0 DFADHM CSc1n[n-]c(NC(=O)CCC(=O)c2ccc(C)c(C)c2)n1 ZINC000354769091 147145300 /nfs/dbraw/zinc/14/53/00/147145300.db2.gz HGIAJWMWYNRDKY-UHFFFAOYSA-N -1 3 318.402 2.745 20 0 DFADHM CSc1nc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)n[n-]1 ZINC000354769091 147145303 /nfs/dbraw/zinc/14/53/03/147145303.db2.gz HGIAJWMWYNRDKY-UHFFFAOYSA-N -1 3 318.402 2.745 20 0 DFADHM CC[C@H](CC(F)(F)F)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000354828762 147166425 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147365124 /nfs/dbraw/zinc/36/51/24/147365124.db2.gz LTHCIEASFKQXCK-SECBINFHSA-N -1 3 321.306 2.788 20 0 DFADHM Cc1ccccc1[C@H](C)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000355567287 147367387 /nfs/dbraw/zinc/36/73/87/147367387.db2.gz MFSRCDKCSPTAJU-LBPRGKRZSA-N -1 3 322.364 2.712 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2cncnc2-c2ccccc2)n1 ZINC000355578070 147371247 /nfs/dbraw/zinc/37/12/47/147371247.db2.gz QGNPXMKCZVYDMP-UHFFFAOYSA-N -1 3 306.325 2.805 20 0 DFADHM COc1nc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n[n-]1 ZINC000355601572 147380357 /nfs/dbraw/zinc/38/03/57/147380357.db2.gz BHWKLGBIINZFMB-UHFFFAOYSA-N -1 3 320.780 2.917 20 0 DFADHM COc1nnc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)[n-]1 ZINC000355601572 147380362 /nfs/dbraw/zinc/38/03/62/147380362.db2.gz BHWKLGBIINZFMB-UHFFFAOYSA-N -1 3 320.780 2.917 20 0 DFADHM COc1n[n-]c(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000355601572 147380365 /nfs/dbraw/zinc/38/03/65/147380365.db2.gz BHWKLGBIINZFMB-UHFFFAOYSA-N -1 3 320.780 2.917 20 0 DFADHM 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O=C(CCSc1ccccc1F)NCc1ncccc1[O-] ZINC000352518524 286395722 /nfs/dbraw/zinc/39/57/22/286395722.db2.gz XXOBVWJPEYRHAE-UHFFFAOYSA-N -1 3 306.362 2.725 20 0 DFADHM CC(C)c1cc(C(=O)NCc2ncccc2[O-])nn1C(C)(C)C ZINC000352506048 286391996 /nfs/dbraw/zinc/39/19/96/286391996.db2.gz CVTRTWDRENTCJY-UHFFFAOYSA-N -1 3 316.405 2.792 20 0 DFADHM CC(C)(C)n1nc(C(=O)NCc2ncccc2[O-])cc1C1CC1 ZINC000352506113 286392002 /nfs/dbraw/zinc/39/20/02/286392002.db2.gz DKPLDDKXXFNBEK-UHFFFAOYSA-N -1 3 314.389 2.546 20 0 DFADHM [O-]c1ccc(Br)c(CNc2ccc(CCO)nc2)c1 ZINC000352534348 286400456 /nfs/dbraw/zinc/40/04/56/286400456.db2.gz FQXZDSQFCZQBLQ-UHFFFAOYSA-N -1 3 323.190 2.697 20 0 DFADHM [O-]c1ccc(F)c(CNCC[C@@H]2COc3ccccc3O2)c1F ZINC000352688394 286441318 /nfs/dbraw/zinc/44/13/18/286441318.db2.gz BKWKJBQWXKCCLF-LLVKDONJSA-N -1 3 321.323 2.990 20 0 DFADHM CC(C)Oc1ccc(/C=C\C(=O)[N-]OC2CCOCC2)cc1 ZINC000493420351 299777134 /nfs/dbraw/zinc/77/71/34/299777134.db2.gz NVTHRZVKIUFLEX-YVMONPNESA-N -1 3 305.374 2.714 20 0 DFADHM 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Cc1cc([N-]C(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3=O)on1 ZINC000131630867 196185931 /nfs/dbraw/zinc/18/59/31/196185931.db2.gz GTPHKFDABUAFQG-LLVKDONJSA-N -1 3 314.341 2.908 20 0 DFADHM Cc1cccc2c(CC(=O)Nc3nnc(C(F)(F)F)[n-]3)c[nH]c21 ZINC000131883926 196207210 /nfs/dbraw/zinc/20/72/10/196207210.db2.gz OMVYBIJBJKNMKN-UHFFFAOYSA-N -1 3 323.278 2.794 20 0 DFADHM Cc1cccc2c(CC(=O)Nc3nc(C(F)(F)F)n[n-]3)c[nH]c21 ZINC000131883926 196207212 /nfs/dbraw/zinc/20/72/12/196207212.db2.gz OMVYBIJBJKNMKN-UHFFFAOYSA-N -1 3 323.278 2.794 20 0 DFADHM Cc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)c([O-])c1C ZINC000131960241 196214540 /nfs/dbraw/zinc/21/45/40/196214540.db2.gz WOSXJASISQKELD-UHFFFAOYSA-N -1 3 313.401 2.758 20 0 DFADHM CC[C@H](C)c1cc(C(=O)[N-]c2ccccc2S(C)(=O)=O)on1 ZINC000132425816 196255452 /nfs/dbraw/zinc/25/54/52/196255452.db2.gz HRQBKBLOMFBTBZ-JTQLQIEISA-N -1 3 322.386 2.844 20 0 DFADHM Cc1noc(Cl)c1CCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133032582 196306024 /nfs/dbraw/zinc/30/60/24/196306024.db2.gz 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Cc1ccc([O-])c(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000116644673 426194082 /nfs/dbraw/zinc/19/40/82/426194082.db2.gz BNSJKCYAQNDREO-INIZCTEOSA-N -1 3 324.380 2.578 20 0 DFADHM Cc1cc(OCCn2cc(Cl)c(=O)[n-]c2=O)ccc1C(C)C ZINC000081274008 426221323 /nfs/dbraw/zinc/22/13/23/426221323.db2.gz LCMFCPHQGPAAFI-UHFFFAOYSA-N -1 3 322.792 2.701 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC000118274520 426231506 /nfs/dbraw/zinc/23/15/06/426231506.db2.gz WLSOWSYGXYUBRN-IAQYHMDHSA-N -1 3 307.390 2.669 20 0 DFADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)sc1C ZINC000173225143 426236477 /nfs/dbraw/zinc/23/64/77/426236477.db2.gz NZUSSHXRNPJMBZ-UHFFFAOYSA-N -1 3 318.370 2.517 20 0 DFADHM CCN(Cc1ccccn1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000084365957 426237624 /nfs/dbraw/zinc/23/76/24/426237624.db2.gz MGMZWRODTVOJDC-UHFFFAOYSA-N -1 3 307.353 2.585 20 0 DFADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C)s1 ZINC000173636931 426244438 /nfs/dbraw/zinc/24/44/38/426244438.db2.gz FIDKBTXKJBTVBH-UHFFFAOYSA-N -1 3 316.835 2.892 20 0 DFADHM Cc1ncsc1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084937776 426247834 /nfs/dbraw/zinc/24/78/34/426247834.db2.gz XDKUMMMIJCAMOC-UHFFFAOYSA-N -1 3 308.384 2.676 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)c1ccc(Br)cn1 ZINC000085203736 426247912 /nfs/dbraw/zinc/24/79/12/426247912.db2.gz FTWVJNKEVYUOEL-UHFFFAOYSA-N -1 3 311.110 2.941 20 0 DFADHM CC(C)(C)c1cccc(OCCn2cc(Cl)c(=O)[n-]c2=O)c1 ZINC000085253615 426249067 /nfs/dbraw/zinc/24/90/67/426249067.db2.gz CHJBLJJOLOMNQX-UHFFFAOYSA-N -1 3 322.792 2.567 20 0 DFADHM COc1ccc(C(=O)NCc2ccn(C3CCCC3)n2)c([O-])c1 ZINC000118997016 426253776 /nfs/dbraw/zinc/25/37/76/426253776.db2.gz MHBLAOFLGRJGFX-UHFFFAOYSA-N -1 3 315.373 2.642 20 0 DFADHM Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)c1nnc[n-]1 ZINC000086169788 426255638 /nfs/dbraw/zinc/25/56/38/426255638.db2.gz RTLZKMMEQIOMAL-UHFFFAOYSA-N -1 3 307.419 2.693 20 0 DFADHM CC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccncc1 ZINC000174449515 426257574 /nfs/dbraw/zinc/25/75/74/426257574.db2.gz GENCVZGMRLJLSU-HNNXBMFYSA-N -1 3 307.353 2.804 20 0 DFADHM Cc1cc(C)c(O)c([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000149455279 426259693 /nfs/dbraw/zinc/25/96/93/426259693.db2.gz GWCXPTVSNMRFTF-UHFFFAOYSA-N -1 3 305.399 2.993 20 0 DFADHM Cc1cc2cc([N-]S(=O)(=O)C[C@H]3CCCCO3)ccc2[nH]1 ZINC000150841772 426263243 /nfs/dbraw/zinc/26/32/43/426263243.db2.gz JWXZMMMGYSYRGT-CQSZACIVSA-N -1 3 308.403 2.787 20 0 DFADHM O=S(=O)([N-]CC1(O)CCCC1)c1c(Cl)cccc1Cl ZINC000087041693 426263963 /nfs/dbraw/zinc/26/39/63/426263963.db2.gz VRNNCGFEGCFEMJ-UHFFFAOYSA-N -1 3 324.229 2.577 20 0 DFADHM CCCCCN(CCCOC)C(=O)c1cccc2[n-]nnc21 ZINC000119142297 426265071 /nfs/dbraw/zinc/26/50/71/426265071.db2.gz PQLOIEOLTDHWMX-UHFFFAOYSA-N -1 3 304.394 2.627 20 0 DFADHM CCCCCN(CCCOC)C(=O)c1cccc2nn[n-]c21 ZINC000119142297 426265075 /nfs/dbraw/zinc/26/50/75/426265075.db2.gz PQLOIEOLTDHWMX-UHFFFAOYSA-N -1 3 304.394 2.627 20 0 DFADHM CCCCCN(CCCOC)C(=O)c1cccc2n[n-]nc21 ZINC000119142297 426265078 /nfs/dbraw/zinc/26/50/78/426265078.db2.gz PQLOIEOLTDHWMX-UHFFFAOYSA-N -1 3 304.394 2.627 20 0 DFADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000119164627 426266969 /nfs/dbraw/zinc/26/69/69/426266969.db2.gz GRXMOMBZWYCZFY-LBPRGKRZSA-N -1 3 323.817 2.555 20 0 DFADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000119166661 426267110 /nfs/dbraw/zinc/26/71/10/426267110.db2.gz RDPFDBFZQYLFQJ-NSHDSACASA-N -1 3 323.817 2.555 20 0 DFADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1C(N)=O ZINC000079949751 426207346 /nfs/dbraw/zinc/20/73/46/426207346.db2.gz NNYVKWRYFYCDNN-UHFFFAOYSA-N -1 3 320.352 2.736 20 0 DFADHM CC1CCC(N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)CC1 ZINC000080028470 426210111 /nfs/dbraw/zinc/21/01/11/426210111.db2.gz WEIQYDUJCTUZNJ-UHFFFAOYSA-N -1 3 320.408 2.868 20 0 DFADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(Cl)cc1Cl ZINC000171802792 426212479 /nfs/dbraw/zinc/21/24/79/426212479.db2.gz PKZGRNOZOMQDKI-SECBINFHSA-N -1 3 310.202 2.914 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cnn(Cc3ccccc3)c2)c1 ZINC000080423103 426214923 /nfs/dbraw/zinc/21/49/23/426214923.db2.gz WNVRCBUFHCFPDC-UHFFFAOYSA-N -1 3 323.352 2.898 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119449078 426288345 /nfs/dbraw/zinc/28/83/45/426288345.db2.gz HMJRPAHSUFUNPY-GFCCVEGCSA-N -1 3 309.373 2.628 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119449078 426288348 /nfs/dbraw/zinc/28/83/48/426288348.db2.gz HMJRPAHSUFUNPY-GFCCVEGCSA-N -1 3 309.373 2.628 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](c3nccs3)C2)n1 ZINC000119430383 426288748 /nfs/dbraw/zinc/28/87/48/426288748.db2.gz WBGDQZFEBUIOIJ-NSHDSACASA-N -1 3 304.419 2.581 20 0 DFADHM CCN(CC1CC1)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000151286503 426288800 /nfs/dbraw/zinc/28/88/00/426288800.db2.gz PREWEAFJPYNLLK-UHFFFAOYSA-N -1 3 302.349 2.848 20 0 DFADHM COc1cc(C(=O)NC[C@H]2CCCC[C@@H]2C)cc(OC)c1[O-] ZINC000119477581 426290894 /nfs/dbraw/zinc/29/08/94/426290894.db2.gz RNXWOYWKNYAQFG-NWDGAFQWSA-N -1 3 307.390 2.966 20 0 DFADHM CCc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1F ZINC000151446581 426296832 /nfs/dbraw/zinc/29/68/32/426296832.db2.gz YUZMGLNEUKHOBM-ZDUSSCGKSA-N -1 3 301.383 2.699 20 0 DFADHM CC(C)(C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151508265 426300152 /nfs/dbraw/zinc/30/01/52/426300152.db2.gz VLJAWGKNERAOJJ-UHFFFAOYSA-N -1 3 301.184 2.752 20 0 DFADHM Cc1ccc(NC(=O)[C@@H](C)NC(=O)Nc2ccccc2)c([O-])c1 ZINC000119650336 426300775 /nfs/dbraw/zinc/30/07/75/426300775.db2.gz XUPRWLUKOLDXRO-GFCCVEGCSA-N -1 3 313.357 2.849 20 0 DFADHM CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000119778254 426302547 /nfs/dbraw/zinc/30/25/47/426302547.db2.gz ADDRKYFJTPEPIK-UXBLZVDNSA-N -1 3 310.353 2.712 20 0 DFADHM COc1cccc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000175431162 426304624 /nfs/dbraw/zinc/30/46/24/426304624.db2.gz GFRCYWWCZZPGAY-GXTWGEPZSA-N -1 3 307.415 2.901 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000175472260 426307353 /nfs/dbraw/zinc/30/73/53/426307353.db2.gz BIPJAKZGBSJUFC-LBPRGKRZSA-N -1 3 305.374 2.504 20 0 DFADHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000151699673 426308792 /nfs/dbraw/zinc/30/87/92/426308792.db2.gz UVACWVIXOVZOMQ-PIGZYNQJSA-N -1 3 313.353 2.562 20 0 DFADHM COc1ccccc1CN(C)C(=O)c1cccc(OC)c1[O-] ZINC000120609260 426313709 /nfs/dbraw/zinc/31/37/09/426313709.db2.gz YJVKQHLLZIEEIG-UHFFFAOYSA-N -1 3 301.342 2.682 20 0 DFADHM Cc1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c([O-])c1 ZINC000121007653 426319135 /nfs/dbraw/zinc/31/91/35/426319135.db2.gz MCHZUMIGEJBUEH-KRWDZBQOSA-N -1 3 310.397 2.830 20 0 DFADHM Cc1cccc(C(=O)Nc2nnc(C(F)(F)F)s2)c1[O-] ZINC000121044063 426320214 /nfs/dbraw/zinc/32/02/14/426320214.db2.gz OWGVXLROUKGMRH-UHFFFAOYSA-N -1 3 303.265 2.823 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]c2c(F)cccc2F)s1 ZINC000175688648 426321260 /nfs/dbraw/zinc/32/12/60/426321260.db2.gz ADURIAZQRXEFQG-UHFFFAOYSA-N -1 3 304.343 2.839 20 0 DFADHM Cc1ccc(F)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371066 426326628 /nfs/dbraw/zinc/32/66/28/426326628.db2.gz WXRJFRZWZUMFAR-UHFFFAOYSA-N -1 3 301.243 2.848 20 0 DFADHM CN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@H]1CCCN(C)C1 ZINC000175838914 426332184 /nfs/dbraw/zinc/33/21/84/426332184.db2.gz OEOPVNKTKXJQAP-VIFPVBQESA-N -1 3 317.216 2.865 20 0 DFADHM COC[C@H](NC(=O)c1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000091164719 426340854 /nfs/dbraw/zinc/34/08/54/426340854.db2.gz WVDPYNMTQNFZSB-AWEZNQCLSA-N -1 3 307.296 2.788 20 0 DFADHM COc1cc(C)c(C(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000088388657 426276159 /nfs/dbraw/zinc/27/61/59/426276159.db2.gz SDVSQCMXWYGRRG-UHFFFAOYSA-N -1 3 319.332 2.787 20 0 DFADHM O=C(Nc1ccc(F)cc1NC1CC1)c1ccc2n[n-]nc2c1 ZINC000119323785 426278754 /nfs/dbraw/zinc/27/87/54/426278754.db2.gz OWWDBPFFXKEHPP-UHFFFAOYSA-N -1 3 311.320 2.924 20 0 DFADHM Cc1nc(CCNC(=O)NCc2ccc([O-])c(F)c2)sc1C ZINC000151119703 426278995 /nfs/dbraw/zinc/27/89/95/426278995.db2.gz AERJJVSZWUSMGE-UHFFFAOYSA-N -1 3 323.393 2.647 20 0 DFADHM O=C(CCC1CC1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000151199544 426284473 /nfs/dbraw/zinc/28/44/73/426284473.db2.gz YACKZIZNUWDQPO-UHFFFAOYSA-N -1 3 316.401 2.760 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cccs1)c1c(C)noc1C ZINC000119384236 426284615 /nfs/dbraw/zinc/28/46/15/426284615.db2.gz BSAFSRRQFJOLND-JTQLQIEISA-N -1 3 300.405 2.783 20 0 DFADHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1c(F)ccc(F)c1F ZINC000121419521 426341560 /nfs/dbraw/zinc/34/15/60/426341560.db2.gz NXWZGUPZTYHQHA-UHFFFAOYSA-N -1 3 306.247 2.707 20 0 DFADHM Cc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000091811098 426344907 /nfs/dbraw/zinc/34/49/07/426344907.db2.gz IMELAADNZLHDAG-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM Cc1cccc(O[C@@H](C)CNC(=O)c2c([O-])cccc2O)c1 ZINC000092123149 426347439 /nfs/dbraw/zinc/34/74/39/426347439.db2.gz RUFVUIPFGZVQHX-LBPRGKRZSA-N -1 3 301.342 2.604 20 0 DFADHM Cc1[nH]c2ccccc2c1CCNC(=O)c1c([O-])cccc1O ZINC000092120783 426348475 /nfs/dbraw/zinc/34/84/75/426348475.db2.gz YEIRFGQITFSGHC-UHFFFAOYSA-N -1 3 310.353 2.860 20 0 DFADHM COc1cccc(F)c1[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000092123142 426348498 /nfs/dbraw/zinc/34/84/98/426348498.db2.gz WYMDZJQJNDLWDD-VIFPVBQESA-N -1 3 305.305 2.737 20 0 DFADHM CC[C@H](CNC(=O)c1c([O-])cccc1O)Oc1ccccc1F ZINC000092123992 426348600 /nfs/dbraw/zinc/34/86/00/426348600.db2.gz NKLWNFQVEFWTMN-LLVKDONJSA-N -1 3 319.332 2.824 20 0 DFADHM Cc1cccc2[nH]cc(CCNC(=O)c3c([O-])cccc3O)c21 ZINC000092121087 426348651 /nfs/dbraw/zinc/34/86/51/426348651.db2.gz MWVROYMWRGWIHD-UHFFFAOYSA-N -1 3 310.353 2.860 20 0 DFADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1cccc(-n2cccn2)c1 ZINC000092123674 426348664 /nfs/dbraw/zinc/34/86/64/426348664.db2.gz ZNEWDPXCHRPRCP-GFCCVEGCSA-N -1 3 323.352 2.775 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000176055651 426348868 /nfs/dbraw/zinc/34/88/68/426348868.db2.gz LQQRVZNKBXFLKD-UHFFFAOYSA-N -1 3 319.704 2.848 20 0 DFADHM COc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)c1[O-] ZINC000121685438 426351530 /nfs/dbraw/zinc/35/15/30/426351530.db2.gz DTYZBWRQDZHFTJ-UHFFFAOYSA-N -1 3 312.325 2.538 20 0 DFADHM COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000121732162 426352392 /nfs/dbraw/zinc/35/23/92/426352392.db2.gz HXYPEBJBJBKNOT-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM Cc1ccc(NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000176121511 426353973 /nfs/dbraw/zinc/35/39/73/426353973.db2.gz XEYQLXQZKLLJEG-UHFFFAOYSA-N -1 3 320.389 2.896 20 0 DFADHM Cc1ccc(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000093795293 426358128 /nfs/dbraw/zinc/35/81/28/426358128.db2.gz BGRBNOTWACVRFV-UHFFFAOYSA-N -1 3 322.405 2.640 20 0 DFADHM CCO[C@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176187583 426358573 /nfs/dbraw/zinc/35/85/73/426358573.db2.gz IKUQAPPAYAEEGU-KCJUWKMLSA-N -1 3 300.152 2.518 20 0 DFADHM Cc1cccc(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)c1[O-] ZINC000093964989 426359283 /nfs/dbraw/zinc/35/92/83/426359283.db2.gz DPOMAXMXKAFEKL-LLVKDONJSA-N -1 3 313.357 2.682 20 0 DFADHM O=c1[n-]c(CN2C[C@H]3CCC[C@@H]3C2)nc2c3ccccc3oc21 ZINC000152905897 426361044 /nfs/dbraw/zinc/36/10/44/426361044.db2.gz WXCJMTFQSPXZDR-VXGBXAGGSA-N -1 3 309.369 2.901 20 0 DFADHM CC(C)[C@H](CNC(=O)c1ccc2n[n-]nc2c1)c1cccnc1 ZINC000176342436 426372554 /nfs/dbraw/zinc/37/25/54/426372554.db2.gz AEAXHJPMDOXMQD-AWEZNQCLSA-N -1 3 309.373 2.523 20 0 DFADHM Cc1ccc(NC(=O)c2ccnc(OCC(F)F)c2)c([O-])c1 ZINC000122546512 426381676 /nfs/dbraw/zinc/38/16/76/426381676.db2.gz HMKCABHLHRCGFA-UHFFFAOYSA-N -1 3 308.284 2.992 20 0 DFADHM CC(C)COc1cccc([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000176464383 426384812 /nfs/dbraw/zinc/38/48/12/426384812.db2.gz HTEKPWJVCQGYQX-UHFFFAOYSA-N -1 3 315.435 2.888 20 0 DFADHM Cc1ccc(-c2noc(CCC(=O)[N-]OCC(C)C)n2)cc1F ZINC000153510046 426389414 /nfs/dbraw/zinc/38/94/14/426389414.db2.gz DMUVLEWHGGEMNT-UHFFFAOYSA-N -1 3 321.352 2.821 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CC[C@H](O)c2ccccc2)c(F)c1 ZINC000123191079 426418457 /nfs/dbraw/zinc/41/84/57/426418457.db2.gz BEMCCXJRGPTXQM-HNNXBMFYSA-N -1 3 323.389 2.536 20 0 DFADHM Cc1ccc([O-])c(CNC(C)(C)c2cn(-c3ccccc3)nn2)n1 ZINC000154041934 426421506 /nfs/dbraw/zinc/42/15/06/426421506.db2.gz KNZZZQZBYUENKF-UHFFFAOYSA-N -1 3 323.400 2.701 20 0 DFADHM CC(C)(C)CCN1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000123494279 426437477 /nfs/dbraw/zinc/43/74/77/426437477.db2.gz KLHLOGMRWQKXNZ-UHFFFAOYSA-N -1 3 308.397 2.725 20 0 DFADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(F)cc1F ZINC000154366672 426438444 /nfs/dbraw/zinc/43/84/44/426438444.db2.gz IXTKZBXCCMSBKF-UHOFOFEASA-N -1 3 321.348 2.581 20 0 DFADHM CCc1cc2c(CS[C@@H](C)C(=O)OC)cc(=O)oc2cc1[O-] ZINC000154382623 426438632 /nfs/dbraw/zinc/43/86/32/426438632.db2.gz YCTZWUMMQNXUIQ-VIFPVBQESA-N -1 3 322.382 2.856 20 0 DFADHM Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000123616536 426444085 /nfs/dbraw/zinc/44/40/85/426444085.db2.gz GYUOQOKATXHXIV-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000123616536 426444088 /nfs/dbraw/zinc/44/40/88/426444088.db2.gz GYUOQOKATXHXIV-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cccc(C(C)C)c2)n1 ZINC000340743563 269006910 /nfs/dbraw/zinc/00/69/10/269006910.db2.gz UFMHAXBJDXWQLW-UHFFFAOYSA-N -1 3 323.418 2.715 20 0 DFADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C)cc1 ZINC000340896617 269028903 /nfs/dbraw/zinc/02/89/03/269028903.db2.gz HCDYZGKNIYHUJK-UHFFFAOYSA-N -1 3 321.398 2.951 20 0 DFADHM CCCCNC(=O)C1(NCc2nc(C)ccc2[O-])CCCCC1 ZINC000154628975 426448305 /nfs/dbraw/zinc/44/83/05/426448305.db2.gz UFAHQNHBMHWRAF-UHFFFAOYSA-N -1 3 319.449 2.804 20 0 DFADHM CC1CC([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000341443354 269077860 /nfs/dbraw/zinc/07/78/60/269077860.db2.gz UOQCALABFRZIIY-UHFFFAOYSA-N -1 3 322.199 2.665 20 0 DFADHM CC(C)c1cc(C(=O)N(C)CC(=O)N(C)C)c([O-])c(C(C)C)c1 ZINC000123799529 426453994 /nfs/dbraw/zinc/45/39/94/426453994.db2.gz DHIBBTCOKRYKJH-UHFFFAOYSA-N -1 3 320.433 2.799 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000123998992 426465956 /nfs/dbraw/zinc/46/59/56/426465956.db2.gz NZYLWYUSOBBZOD-LBPRGKRZSA-N -1 3 319.792 2.717 20 0 DFADHM Cc1cccc(C(=O)Nc2ccccc2N2CCOC2=O)c1[O-] ZINC000102256947 426488368 /nfs/dbraw/zinc/48/83/68/426488368.db2.gz DAZLYLYQBHYTDG-UHFFFAOYSA-N -1 3 312.325 2.910 20 0 DFADHM C[C@@]1(O)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000177368598 426473793 /nfs/dbraw/zinc/47/37/93/426473793.db2.gz IYPNGCPAJYKFMN-LJQANCHMSA-N -1 3 311.381 2.580 20 0 DFADHM CCCCS(=O)(=O)[N-][C@H](COCC(C)C)c1ccco1 ZINC000101576835 426485012 /nfs/dbraw/zinc/48/50/12/426485012.db2.gz IOKQYYYLUIHEDS-CYBMUJFWSA-N -1 3 303.424 2.713 20 0 DFADHM O=S(=O)([N-]CC[C@H]1CCCCO1)c1cccc(Cl)c1F ZINC000272386477 426513452 /nfs/dbraw/zinc/51/34/52/426513452.db2.gz HNNVSLZBJDSNFP-SNVBAGLBSA-N -1 3 321.801 2.717 20 0 DFADHM O=C(CCc1nnc(C2CCCC2)o1)[N-]OCc1ccccc1 ZINC000177756028 426515903 /nfs/dbraw/zinc/51/59/03/426515903.db2.gz GLRIHOHAEVKNKR-UHFFFAOYSA-N -1 3 315.373 2.908 20 0 DFADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C2CC2)c1 ZINC000177838830 426528420 /nfs/dbraw/zinc/52/84/20/426528420.db2.gz PMCLGXWPJDCYMX-MRVPVSSYSA-N -1 3 301.795 2.619 20 0 DFADHM Cc1nc2n(n1)CCC[C@H]2[N-]C(=O)C(F)(F)c1ccc(C)cc1 ZINC000272453914 426529145 /nfs/dbraw/zinc/52/91/45/426529145.db2.gz TXEGUXUJSRAGPI-CYBMUJFWSA-N -1 3 320.343 2.638 20 0 DFADHM C[C@H](c1ccc(F)c(Cl)c1)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000288773173 426530712 /nfs/dbraw/zinc/53/07/12/426530712.db2.gz BDQAMFLWVRWWIQ-SECBINFHSA-N -1 3 324.787 2.831 20 0 DFADHM C[C@H](NC(=O)c1ccc([O-])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000186490810 426537882 /nfs/dbraw/zinc/53/78/82/426537882.db2.gz ILQUXEMDWOZYPW-SJCJKPOMSA-N -1 3 316.376 2.953 20 0 DFADHM CCN(CCNC(=O)c1ccc([O-])c(C)c1)C(=O)OC(C)(C)C ZINC000272522113 426546699 /nfs/dbraw/zinc/54/66/99/426546699.db2.gz NWOWAWKOXMYJTH-UHFFFAOYSA-N -1 3 322.405 2.687 20 0 DFADHM CCc1nnsc1C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000288906871 426548552 /nfs/dbraw/zinc/54/85/52/426548552.db2.gz UHUWPOFYSSOUJR-UHFFFAOYSA-N -1 3 311.388 2.509 20 0 DFADHM CCn1cc(Br)cc1C(=O)Nc1ncccc1[O-] ZINC000194646491 426489853 /nfs/dbraw/zinc/48/98/53/426489853.db2.gz BMDUQNDAFVGBPE-UHFFFAOYSA-N -1 3 310.151 2.623 20 0 DFADHM CCSCc1cc(C(=O)NCc2ccc([O-])c(F)c2)no1 ZINC000186178064 426491315 /nfs/dbraw/zinc/49/13/15/426491315.db2.gz ANJSTMFABOBLMX-UHFFFAOYSA-N -1 3 310.350 2.702 20 0 DFADHM CN(C[C@@H]1CCCOC1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000186187420 426492440 /nfs/dbraw/zinc/49/24/40/426492440.db2.gz DBIPXJJAIMUGKF-ZDUSSCGKSA-N -1 3 303.402 2.770 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(=O)[nH]c(C2CC2)c1 ZINC000186210148 426494531 /nfs/dbraw/zinc/49/45/31/426494531.db2.gz CVDSAUIPAQILIZ-UHFFFAOYSA-N -1 3 304.733 2.864 20 0 DFADHM C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1cc([O-])cc(F)c1 ZINC000186224841 426494926 /nfs/dbraw/zinc/49/49/26/426494926.db2.gz ZVCHXLYTYNPXGN-LLVKDONJSA-N -1 3 312.385 2.876 20 0 DFADHM O=C(c1cc(N2CCCC2)ccn1)N1CCCc2cccc([O-])c21 ZINC000195013059 426498025 /nfs/dbraw/zinc/49/80/25/426498025.db2.gz HJPWXTHYHMVSKW-UHFFFAOYSA-N -1 3 323.396 2.980 20 0 DFADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186278943 426499406 /nfs/dbraw/zinc/49/94/06/426499406.db2.gz CQIWZTGYARSLIA-RYUDHWBXSA-N -1 3 318.417 2.783 20 0 DFADHM C[C@@H]1CCN(C(=O)CCOC2CCOCC2)c2c([O-])cccc21 ZINC000186272674 426499564 /nfs/dbraw/zinc/49/95/64/426499564.db2.gz COVSHEFYHSUHFX-CYBMUJFWSA-N -1 3 319.401 2.818 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C1C[C@@H](C)C[C@H](C)C1 ZINC000177633033 426499956 /nfs/dbraw/zinc/49/99/56/426499956.db2.gz TZPJQTVAZBHYOP-UWVGGRQHSA-N -1 3 303.449 2.860 20 0 DFADHM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1ccc(O)cc1[O-] ZINC000177637963 426500207 /nfs/dbraw/zinc/50/02/07/426500207.db2.gz VVTOPBUDTUMQLL-LBPRGKRZSA-N -1 3 303.280 2.949 20 0 DFADHM CC[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@H](C)O1 ZINC000186288563 426500307 /nfs/dbraw/zinc/50/03/07/426500307.db2.gz YSHVYHFXBDEQQN-GXTWGEPZSA-N -1 3 303.402 2.911 20 0 DFADHM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000272603875 426573127 /nfs/dbraw/zinc/57/31/27/426573127.db2.gz HLZCVXJISDDTHH-LKBUQDJMSA-N -1 3 309.431 2.510 20 0 DFADHM CC(C)C[C@@H](CO)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000186659641 426573171 /nfs/dbraw/zinc/57/31/71/426573171.db2.gz YLDOMHICTXMUNV-AWEZNQCLSA-N -1 3 305.418 2.750 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)c1F ZINC000289048707 426573528 /nfs/dbraw/zinc/57/35/28/426573528.db2.gz XXDFULYHDQJQMR-ZDUSSCGKSA-N -1 3 311.382 2.533 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NCc1ccc(CO)c(F)c1 ZINC000178120839 426574077 /nfs/dbraw/zinc/57/40/77/426574077.db2.gz TZBDSNSXXBSUQA-UHFFFAOYSA-N -1 3 323.751 2.536 20 0 DFADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccsc2)cc1F ZINC000178125311 426574950 /nfs/dbraw/zinc/57/49/50/426574950.db2.gz MSCUNKNHSSODFH-UHFFFAOYSA-N -1 3 303.355 2.813 20 0 DFADHM CCc1ccc(-c2nc([C@H]3CCCN(C(C)=O)C3)no2)c([O-])c1 ZINC000289095312 426582609 /nfs/dbraw/zinc/58/26/09/426582609.db2.gz PGSDNQAUQAIGCP-ZDUSSCGKSA-N -1 3 315.373 2.731 20 0 DFADHM C[C@@H]1C[C@H](CCNC(=O)NCc2ccc([O-])c(F)c2)CCO1 ZINC000273079974 426589180 /nfs/dbraw/zinc/58/91/80/426589180.db2.gz KZIZBYNAKKASLD-VXGBXAGGSA-N -1 3 310.369 2.536 20 0 DFADHM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)s2)CCO[C@H]1C1CC1 ZINC000273081290 426589784 /nfs/dbraw/zinc/58/97/84/426589784.db2.gz LHBQVMOYFFEGON-RYUDHWBXSA-N -1 3 321.851 2.637 20 0 DFADHM C[C@@H]1C[C@@H](CCNC(=O)c2c[n-]c3ccccc3c2=O)CCO1 ZINC000273148213 426601791 /nfs/dbraw/zinc/60/17/91/426601791.db2.gz HGDLJWHFGURRGJ-OLZOCXBDSA-N -1 3 314.385 2.875 20 0 DFADHM O=C(C[C@@H]1CCCc2ccccc21)N1CCc2c(=O)[n-]cnc2C1 ZINC000273174499 426607879 /nfs/dbraw/zinc/60/78/79/426607879.db2.gz DIATWYFMBQSWCH-AWEZNQCLSA-N -1 3 323.396 2.577 20 0 DFADHM CSCCON=C([O-])Nc1ccc(-c2csnn2)cc1 ZINC000280596825 426610835 /nfs/dbraw/zinc/61/08/35/426610835.db2.gz QTGDHERQAWFBBV-UHFFFAOYSA-N -1 3 310.404 2.621 20 0 DFADHM CSCCO[N-]C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000280596825 426610839 /nfs/dbraw/zinc/61/08/39/426610839.db2.gz QTGDHERQAWFBBV-UHFFFAOYSA-N -1 3 310.404 2.621 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)c([O-])c1 ZINC000186941634 426612488 /nfs/dbraw/zinc/61/24/88/426612488.db2.gz OCIXZVFRHOJUJI-IBGZPJMESA-N -1 3 309.365 2.972 20 0 DFADHM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000265438651 426635854 /nfs/dbraw/zinc/63/58/54/426635854.db2.gz VJMSWKKBTSUAAO-WFASDCNBSA-N -1 3 313.419 2.785 20 0 DFADHM O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCc2c(nc[n-]c2=O)C1 ZINC000273294730 426637348 /nfs/dbraw/zinc/63/73/48/426637348.db2.gz VHQYGMZMTWBHNO-HZSPNIEDSA-N -1 3 315.417 2.673 20 0 DFADHM Cn1nccc1C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000280715977 426640795 /nfs/dbraw/zinc/64/07/95/426640795.db2.gz BRXKPWZKRNUXFV-UHFFFAOYSA-N -1 3 307.344 2.784 20 0 DFADHM C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289381700 426643155 /nfs/dbraw/zinc/64/31/55/426643155.db2.gz JFOGTTJNPHZEDE-KOLCDFICSA-N -1 3 324.787 2.831 20 0 DFADHM C[C@@H](c1ccccc1Cl)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289424951 426654081 /nfs/dbraw/zinc/65/40/81/426654081.db2.gz NBXGBJYKJIZHJL-QWRGUYRKSA-N -1 3 306.797 2.692 20 0 DFADHM C[C@H](CCc1ccco1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000265672580 426672310 /nfs/dbraw/zinc/67/23/10/426672310.db2.gz ACODEPASTGKELT-LLVKDONJSA-N -1 3 306.337 2.945 20 0 DFADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)C1(CCF)CC1 ZINC000290048521 426678577 /nfs/dbraw/zinc/67/85/77/426678577.db2.gz MBNRPASJQDOIDQ-UHFFFAOYSA-N -1 3 310.279 2.828 20 0 DFADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)C1(CCF)CC1 ZINC000290048521 426678584 /nfs/dbraw/zinc/67/85/84/426678584.db2.gz MBNRPASJQDOIDQ-UHFFFAOYSA-N -1 3 310.279 2.828 20 0 DFADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)C1(CCF)CC1 ZINC000290048521 426678591 /nfs/dbraw/zinc/67/85/91/426678591.db2.gz MBNRPASJQDOIDQ-UHFFFAOYSA-N -1 3 310.279 2.828 20 0 DFADHM Cc1ccccc1NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C ZINC000273546149 426682405 /nfs/dbraw/zinc/68/24/05/426682405.db2.gz UNJKOGLOWZDPMN-LBPRGKRZSA-N -1 3 323.393 2.961 20 0 DFADHM Cc1ccccc1NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC000273546149 426682409 /nfs/dbraw/zinc/68/24/09/426682409.db2.gz UNJKOGLOWZDPMN-LBPRGKRZSA-N -1 3 323.393 2.961 20 0 DFADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2)s1 ZINC000273581102 426690958 /nfs/dbraw/zinc/69/09/58/426690958.db2.gz IDHTUFSNXHBLOS-SSDOTTSWSA-N -1 3 317.823 2.539 20 0 DFADHM O=C([O-])[C@H]1CCN(CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000178895951 426716500 /nfs/dbraw/zinc/71/65/00/426716500.db2.gz TTWFAFREDURBDP-VIFPVBQESA-N -1 3 304.173 2.779 20 0 DFADHM CCN1C(=O)CCc2cc(NC(=O)[N-]OCC(C)C)ccc21 ZINC000273623810 426697846 /nfs/dbraw/zinc/69/78/46/426697846.db2.gz OBLIEIOYMNMTAP-UHFFFAOYSA-N -1 3 305.378 2.695 20 0 DFADHM COc1cc(C(=O)N2CCCc3occc3C2)cc(OC)c1[O-] ZINC000290455168 426768094 /nfs/dbraw/zinc/76/80/94/426768094.db2.gz BZRQRTSWKPPITE-UHFFFAOYSA-N -1 3 317.341 2.591 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccc(Cl)s2)c1 ZINC000179203897 426769196 /nfs/dbraw/zinc/76/91/96/426769196.db2.gz XSSWUMWGNSLTLE-UHFFFAOYSA-N -1 3 319.839 2.657 20 0 DFADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)cccc21)c1ccco1 ZINC000188627576 426770385 /nfs/dbraw/zinc/77/03/85/426770385.db2.gz LEZAXXLSDAZJNP-NSHDSACASA-N -1 3 313.762 2.735 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)c1 ZINC000179219993 426771795 /nfs/dbraw/zinc/77/17/95/426771795.db2.gz UATPHKPCRKOPPU-CQSZACIVSA-N -1 3 323.393 2.569 20 0 DFADHM O=S(=O)([N-]Cc1ccccc1Br)c1ccco1 ZINC000188642364 426772157 /nfs/dbraw/zinc/77/21/57/426772157.db2.gz AMWBFPNXBGLZSX-UHFFFAOYSA-N -1 3 316.176 2.521 20 0 DFADHM CC(C)OCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000281849904 426777618 /nfs/dbraw/zinc/77/76/18/426777618.db2.gz YGSJNCUIHAPVMU-UHFFFAOYSA-N -1 3 312.218 2.697 20 0 DFADHM CC[C@@H](C)[C@H](C)N(C(=O)CNC(=O)c1cccc([O-])c1)C1CC1 ZINC000274481666 426778487 /nfs/dbraw/zinc/77/84/87/426778487.db2.gz MVOMXDJEILBWHH-OLZOCXBDSA-N -1 3 318.417 2.548 20 0 DFADHM CC[C@H](C)[C@H](C)N(C(=O)CNC(=O)c1cccc([O-])c1)C1CC1 ZINC000274482629 426779204 /nfs/dbraw/zinc/77/92/04/426779204.db2.gz MVOMXDJEILBWHH-STQMWFEESA-N -1 3 318.417 2.548 20 0 DFADHM O=C(c1ccccc1[O-])N1CCN([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000274497735 426781082 /nfs/dbraw/zinc/78/10/82/426781082.db2.gz HGVRUOBDIOATHV-ZWKOTPCHSA-N -1 3 322.408 2.706 20 0 DFADHM COc1nnc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)[n-]1 ZINC000179367361 426781193 /nfs/dbraw/zinc/78/11/93/426781193.db2.gz YFMLSZMYNWGWGJ-AWEZNQCLSA-N -1 3 324.340 2.572 20 0 DFADHM COc1nc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)n[n-]1 ZINC000179367361 426781199 /nfs/dbraw/zinc/78/11/99/426781199.db2.gz YFMLSZMYNWGWGJ-AWEZNQCLSA-N -1 3 324.340 2.572 20 0 DFADHM COc1n[n-]c(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)n1 ZINC000179367361 426781202 /nfs/dbraw/zinc/78/12/02/426781202.db2.gz YFMLSZMYNWGWGJ-AWEZNQCLSA-N -1 3 324.340 2.572 20 0 DFADHM COc1nnc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)[n-]1 ZINC000179364976 426782683 /nfs/dbraw/zinc/78/26/83/426782683.db2.gz AYVMGPGZWBNOQD-UONOGXRCSA-N -1 3 308.341 2.709 20 0 DFADHM COc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)n[n-]1 ZINC000179364976 426782688 /nfs/dbraw/zinc/78/26/88/426782688.db2.gz AYVMGPGZWBNOQD-UONOGXRCSA-N -1 3 308.341 2.709 20 0 DFADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)n1 ZINC000179364976 426782692 /nfs/dbraw/zinc/78/26/92/426782692.db2.gz AYVMGPGZWBNOQD-UONOGXRCSA-N -1 3 308.341 2.709 20 0 DFADHM COc1nnc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)[n-]1 ZINC000179362681 426783296 /nfs/dbraw/zinc/78/32/96/426783296.db2.gz TXUSRGRRNUZEDD-UHFFFAOYSA-N -1 3 318.333 2.933 20 0 DFADHM COc1nc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)n[n-]1 ZINC000179362681 426783299 /nfs/dbraw/zinc/78/32/99/426783299.db2.gz TXUSRGRRNUZEDD-UHFFFAOYSA-N -1 3 318.333 2.933 20 0 DFADHM COc1n[n-]c(NC(=O)c2ccc(-c3ccc(F)cc3)s2)n1 ZINC000179362681 426783302 /nfs/dbraw/zinc/78/33/02/426783302.db2.gz TXUSRGRRNUZEDD-UHFFFAOYSA-N -1 3 318.333 2.933 20 0 DFADHM CCO[C@H](CC[N-]S(=O)(=O)c1ccco1)C1CCCC1 ZINC000188741453 426783495 /nfs/dbraw/zinc/78/34/95/426783495.db2.gz AEFRGWRWJLFGCH-CYBMUJFWSA-N -1 3 301.408 2.543 20 0 DFADHM CCCCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccco2)C1(C)C ZINC000188745828 426783955 /nfs/dbraw/zinc/78/39/55/426783955.db2.gz YPRNWMTVUXWHRM-RYUDHWBXSA-N -1 3 301.408 2.542 20 0 DFADHM CC(C)OCc1cc(NC(=O)Nc2cnn(C)c2)ccc1[O-] ZINC000290534483 426786962 /nfs/dbraw/zinc/78/69/62/426786962.db2.gz URRJQHYFOSMXEB-UHFFFAOYSA-N -1 3 304.350 2.695 20 0 DFADHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000266253370 426723265 /nfs/dbraw/zinc/72/32/65/426723265.db2.gz YDALPAPDQQYDFK-RYUDHWBXSA-N -1 3 321.801 2.715 20 0 DFADHM Cn1ncc2c1ncc(C(=O)N[C@@H](c1ccccc1)C1CC1)c2[O-] ZINC000179414665 426788242 /nfs/dbraw/zinc/78/82/42/426788242.db2.gz YWSRPQIXQPYPBR-HNNXBMFYSA-N -1 3 322.368 2.555 20 0 DFADHM Cc1ccc([O-])c(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)n1 ZINC000290288910 426734167 /nfs/dbraw/zinc/73/41/67/426734167.db2.gz ADIJCKGQBXQTBK-QWHCGFSZSA-N -1 3 321.421 2.583 20 0 DFADHM CC[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)CCCO1 ZINC000281697573 426746942 /nfs/dbraw/zinc/74/69/42/426746942.db2.gz QGFKSRAHUWVVAH-LBPRGKRZSA-N -1 3 300.358 2.582 20 0 DFADHM CCOC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(C)C ZINC000188381784 426747483 /nfs/dbraw/zinc/74/74/83/426747483.db2.gz OPZKUEGGVHHHDQ-LBPRGKRZSA-N -1 3 323.817 2.819 20 0 DFADHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(C)C ZINC000188391526 426749007 /nfs/dbraw/zinc/74/90/07/426749007.db2.gz BOGCJTBXFVMLIM-CYBMUJFWSA-N -1 3 321.389 2.613 20 0 DFADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290366320 426749574 /nfs/dbraw/zinc/74/95/74/426749574.db2.gz HHOBKVREENHFGP-ULQSSITMSA-N -1 3 321.364 2.752 20 0 DFADHM COc1cc(C(=O)N(C)[C@@H](C)c2ccncc2)cc(OC)c1[O-] ZINC000179102352 426751478 /nfs/dbraw/zinc/75/14/78/426751478.db2.gz JDOJCJGZEVDPGI-NSHDSACASA-N -1 3 316.357 2.638 20 0 DFADHM Cc1c([C@@H](C)NC(=O)c2c[n-]c3c(C)cccc3c2=O)cnn1C ZINC000188421027 426751983 /nfs/dbraw/zinc/75/19/83/426751983.db2.gz VBOZDFIMZMIYKK-LLVKDONJSA-N -1 3 324.384 2.782 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCN([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000274540297 426789089 /nfs/dbraw/zinc/78/90/89/426789089.db2.gz UFYISOVTDTXXJF-RBUKOAKNSA-N -1 3 322.408 2.706 20 0 DFADHM COc1cc(C(=O)N[C@H](C)c2cccs2)cc(OC)c1[O-] ZINC000179131017 426756496 /nfs/dbraw/zinc/75/64/96/426756496.db2.gz VIBNNGCWGBMDNE-SECBINFHSA-N -1 3 307.371 2.962 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NC1CCN(c2ccccc2)CC1 ZINC000179448792 426789291 /nfs/dbraw/zinc/78/92/91/426789291.db2.gz JGIJOMYIFVBXPI-VOTSOKGWSA-N -1 3 323.396 2.586 20 0 DFADHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C[C@@H]1n1ccnc1 ZINC000290416576 426759643 /nfs/dbraw/zinc/75/96/43/426759643.db2.gz FYPUNCUVRYLTNJ-NHYWBVRUSA-N -1 3 319.792 2.965 20 0 DFADHM COc1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc(OC)c1[O-] ZINC000179156244 426760177 /nfs/dbraw/zinc/76/01/77/426760177.db2.gz YNEXPKNNFVJFDC-DMDPSCGWSA-N -1 3 305.374 2.575 20 0 DFADHM CCc1ccc(C(=O)NCCCn2nc(C)cc2C)c([O-])c1 ZINC000188536411 426760955 /nfs/dbraw/zinc/76/09/55/426760955.db2.gz RWTZCWIHJRVSLW-UHFFFAOYSA-N -1 3 301.390 2.588 20 0 DFADHM CCc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c([O-])c1 ZINC000188543133 426761296 /nfs/dbraw/zinc/76/12/96/426761296.db2.gz RBXCUXYSMZMPEL-BMFZPTHFSA-N -1 3 301.386 2.642 20 0 DFADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1F ZINC000188578711 426765822 /nfs/dbraw/zinc/76/58/22/426765822.db2.gz QPBPBQDGISKBON-UHFFFAOYSA-N -1 3 323.345 2.570 20 0 DFADHM Cc1csc([C@H]2COCCN2C(=O)c2ccc(C)cc2[O-])n1 ZINC000188579128 426765883 /nfs/dbraw/zinc/76/58/83/426765883.db2.gz BHSHOJUQPYRZJB-CYBMUJFWSA-N -1 3 318.398 2.679 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)ccc1[O-] ZINC000274427149 426765971 /nfs/dbraw/zinc/76/59/71/426765971.db2.gz PMBFPBRASHDMRP-AWEZNQCLSA-N -1 3 319.401 2.895 20 0 DFADHM CCS[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cncc([O-])c1 ZINC000179538527 426799798 /nfs/dbraw/zinc/79/97/98/426799798.db2.gz OMVMJKJORGDJKP-FHFZEBMASA-N -1 3 306.431 2.981 20 0 DFADHM COCC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000290596844 426801827 /nfs/dbraw/zinc/80/18/27/426801827.db2.gz WAYKBRSCNSHGTC-UHFFFAOYSA-N -1 3 313.781 2.736 20 0 DFADHM COC(=O)CCCO[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000290609988 426804684 /nfs/dbraw/zinc/80/46/84/426804684.db2.gz LCFNCVRKUVHUPQ-RKDXNWHRSA-N -1 3 317.794 2.506 20 0 DFADHM NC(=O)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000179636207 426807051 /nfs/dbraw/zinc/80/70/51/426807051.db2.gz BWIJUVIEBDYWIJ-FPYGCLRLSA-N -1 3 316.744 2.796 20 0 DFADHM Oc1[n-]c(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc2nncc1-2 ZINC000274640447 426809330 /nfs/dbraw/zinc/80/93/30/426809330.db2.gz FHEVGUMCPPDUII-RNFRBKRXSA-N -1 3 301.272 2.592 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)c1 ZINC000295188597 426857387 /nfs/dbraw/zinc/85/73/87/426857387.db2.gz CVUGEVLEIXZJDN-UHFFFAOYSA-N -1 3 322.405 2.785 20 0 DFADHM C[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])N1CCCCC1=O ZINC000189208516 426830956 /nfs/dbraw/zinc/83/09/56/426830956.db2.gz JUXVVYNAMCFULY-SNVBAGLBSA-N -1 3 310.781 2.775 20 0 DFADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(OC2CCCC2)nc1 ZINC000274757252 426831435 /nfs/dbraw/zinc/83/14/35/426831435.db2.gz COKBCDGVGUQYRL-HNNXBMFYSA-N -1 3 321.377 2.983 20 0 DFADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(OC2CCCC2)nc1 ZINC000274757252 426831441 /nfs/dbraw/zinc/83/14/41/426831441.db2.gz COKBCDGVGUQYRL-HNNXBMFYSA-N -1 3 321.377 2.983 20 0 DFADHM O=C1CCCc2cc(NC([O-])=NO[C@H]3CCCCO3)ccc2N1 ZINC000274779443 426835406 /nfs/dbraw/zinc/83/54/06/426835406.db2.gz KGJYXOVHEXVVOE-HNNXBMFYSA-N -1 3 319.361 2.541 20 0 DFADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000274779443 426835412 /nfs/dbraw/zinc/83/54/12/426835412.db2.gz KGJYXOVHEXVVOE-HNNXBMFYSA-N -1 3 319.361 2.541 20 0 DFADHM O=S(=O)([N-][C@@H]1CCCSC1)c1ccc(Cl)cc1F ZINC000267168998 426837593 /nfs/dbraw/zinc/83/75/93/426837593.db2.gz HQKWPSLKWVMZPI-SECBINFHSA-N -1 3 309.815 2.653 20 0 DFADHM COc1ccc(C[C@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1OC ZINC000267187737 426839549 /nfs/dbraw/zinc/83/95/49/426839549.db2.gz AVYHZIMKOHMMPN-QMMMGPOBSA-N -1 3 323.286 2.651 20 0 DFADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)ccc2O1 ZINC000295151476 426840693 /nfs/dbraw/zinc/84/06/93/426840693.db2.gz BTAHGCHKOMZLSK-QMMMGPOBSA-N -1 3 323.336 2.629 20 0 DFADHM Cc1nc([N-]C(=O)c2ncoc2C2CC2)n(-c2ccccc2)n1 ZINC000295149403 426841749 /nfs/dbraw/zinc/84/17/49/426841749.db2.gz PMGWNUMZGREIKX-UHFFFAOYSA-N -1 3 309.329 2.693 20 0 DFADHM CCC[C@@H](O)CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000295165252 426845510 /nfs/dbraw/zinc/84/55/10/426845510.db2.gz DRYYGGAYGXMJRE-OAHLLOKOSA-N -1 3 301.386 2.755 20 0 DFADHM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000282185281 426846994 /nfs/dbraw/zinc/84/69/94/426846994.db2.gz KACYNBRHIWMFFY-NEPJUHHUSA-N -1 3 301.408 2.641 20 0 DFADHM O=C([N-]C[C@@H]1CCN(c2ccc(F)cc2)C1)C(F)(F)C(F)F ZINC000267222442 426850681 /nfs/dbraw/zinc/85/06/81/426850681.db2.gz WNYUYBMQUUDPRI-VIFPVBQESA-N -1 3 322.277 2.669 20 0 DFADHM CCCc1cc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)n(C)n1 ZINC000180301893 426851068 /nfs/dbraw/zinc/85/10/68/426851068.db2.gz WTBJZAOPYNTJCJ-UHFFFAOYSA-N -1 3 313.361 2.916 20 0 DFADHM CCCc1cc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)n(C)n1 ZINC000180301893 426851076 /nfs/dbraw/zinc/85/10/76/426851076.db2.gz WTBJZAOPYNTJCJ-UHFFFAOYSA-N -1 3 313.361 2.916 20 0 DFADHM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1)OCO2 ZINC000180358171 426854293 /nfs/dbraw/zinc/85/42/93/426854293.db2.gz RJGODKHUDOMXHX-UHFFFAOYSA-N -1 3 323.345 2.972 20 0 DFADHM CC(C)(COCc1ccccc1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000282208242 426854446 /nfs/dbraw/zinc/85/44/46/426854446.db2.gz TWVGAXJEJPPBNP-UHFFFAOYSA-N -1 3 324.384 2.683 20 0 DFADHM CCC1([N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)CC1 ZINC000295192322 426856624 /nfs/dbraw/zinc/85/66/24/426856624.db2.gz DFMBVXLZNTZPFC-UHFFFAOYSA-N -1 3 301.795 2.764 20 0 DFADHM C[C@H](c1cccs1)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179435606 426790463 /nfs/dbraw/zinc/79/04/63/426790463.db2.gz OQEICLFOHBDKKW-SECBINFHSA-N -1 3 316.386 2.569 20 0 DFADHM CC(=O)Nc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000188803874 426790532 /nfs/dbraw/zinc/79/05/32/426790532.db2.gz FNZMYZCANDZUSK-UHFFFAOYSA-N -1 3 321.340 2.682 20 0 DFADHM CCOc1c(Cl)cccc1CC(=O)[N-]OCc1cccnc1 ZINC000189657372 426915320 /nfs/dbraw/zinc/91/53/20/426915320.db2.gz VNHDSHKNYSYFLS-UHFFFAOYSA-N -1 3 320.776 2.924 20 0 DFADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)CC(C)C ZINC000189666506 426918719 /nfs/dbraw/zinc/91/87/19/426918719.db2.gz MZAKFFMTRZGOAM-SNVBAGLBSA-N -1 3 319.448 2.556 20 0 DFADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC000181122640 426918823 /nfs/dbraw/zinc/91/88/23/426918823.db2.gz HLPNQVQOFIPWBQ-UHFFFAOYSA-N -1 3 314.313 2.559 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(C)c(C)c2ncccc12 ZINC000295343680 426918690 /nfs/dbraw/zinc/91/86/90/426918690.db2.gz QBRLXUMQQQDZPA-LLVKDONJSA-N -1 3 308.403 2.628 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(-c2nccs2)cc1 ZINC000189456190 426861536 /nfs/dbraw/zinc/86/15/36/426861536.db2.gz UMTRBXOYHUJNFH-LLVKDONJSA-N -1 3 319.386 2.900 20 0 DFADHM O=C(NC[C@H]1CCCC[C@H]1O)c1cc([O-])ccc1C(F)(F)F ZINC000189474111 426862790 /nfs/dbraw/zinc/86/27/90/426862790.db2.gz FGNOYIHOJLOHFL-NOZJJQNGSA-N -1 3 317.307 2.692 20 0 DFADHM O=C(NCCc1ccc2[nH]ccc2c1)c1cc(F)cc2nn[n-]c21 ZINC000337614181 426881513 /nfs/dbraw/zinc/88/15/13/426881513.db2.gz KJXBMYCRYKLCNW-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(NCCc1ccc2[nH]ccc2c1)c1cc(F)cc2[n-]nnc21 ZINC000337614181 426881520 /nfs/dbraw/zinc/88/15/20/426881520.db2.gz KJXBMYCRYKLCNW-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(NCCc1ccc2[nH]ccc2c1)c1cc(F)cc2n[n-]nc21 ZINC000337614181 426881529 /nfs/dbraw/zinc/88/15/29/426881529.db2.gz KJXBMYCRYKLCNW-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM C[C@@H]1CN(Cc2cc(Cl)cc3c2OCC3)CC[C@H]1C(=O)[O-] ZINC000313853222 426925302 /nfs/dbraw/zinc/92/53/02/426925302.db2.gz MRMWYXYRWROZDR-QMTHXVAHSA-N -1 3 309.793 2.818 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000291455669 426885208 /nfs/dbraw/zinc/88/52/08/426885208.db2.gz ONNJDJIDHBSTHE-JKSUJKDBSA-N -1 3 301.386 2.874 20 0 DFADHM CO[C@@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000189550151 426886212 /nfs/dbraw/zinc/88/62/12/426886212.db2.gz CRPSFOCRZZCODJ-SNVBAGLBSA-N -1 3 303.280 2.662 20 0 DFADHM C[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)CCN(C2CC2)C1 ZINC000295273199 426886359 /nfs/dbraw/zinc/88/63/59/426886359.db2.gz HCHUMVGGDZWZPT-LLVKDONJSA-N -1 3 308.809 2.602 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000291455663 426886494 /nfs/dbraw/zinc/88/64/94/426886494.db2.gz ONNJDJIDHBSTHE-CVEARBPZSA-N -1 3 301.386 2.874 20 0 DFADHM O=C(NCCc1cccc2[nH]ccc21)c1cc(F)cc2nn[n-]c21 ZINC000337648954 426899325 /nfs/dbraw/zinc/89/93/25/426899325.db2.gz JDORKCZEFVLSCG-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(NCCc1cccc2[nH]ccc21)c1cc(F)cc2[n-]nnc21 ZINC000337648954 426899333 /nfs/dbraw/zinc/89/93/33/426899333.db2.gz JDORKCZEFVLSCG-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(NCCc1cccc2[nH]ccc21)c1cc(F)cc2n[n-]nc21 ZINC000337648954 426899338 /nfs/dbraw/zinc/89/93/38/426899338.db2.gz JDORKCZEFVLSCG-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000295312547 426901264 /nfs/dbraw/zinc/90/12/64/426901264.db2.gz PAHMLBVQEPXWAJ-JTQLQIEISA-N -1 3 324.229 2.839 20 0 DFADHM O=C(NCC1CC1)[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000295314944 426904304 /nfs/dbraw/zinc/90/43/04/426904304.db2.gz KYNHGCOODUWSJH-CQSZACIVSA-N -1 3 322.836 2.784 20 0 DFADHM COC(=O)[C@H](CC(C)(C)C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000181001660 426905653 /nfs/dbraw/zinc/90/56/53/426905653.db2.gz ZFDUAEKGFOFGDR-NSHDSACASA-N -1 3 320.418 2.937 20 0 DFADHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000295321931 426908630 /nfs/dbraw/zinc/90/86/30/426908630.db2.gz PSGCSSXMIRKDKH-SNVBAGLBSA-N -1 3 324.229 2.839 20 0 DFADHM CCc1cc(C(=O)Nc2nc3c(s2)COCC3)ccc1[O-] ZINC000291549816 426912401 /nfs/dbraw/zinc/91/24/01/426912401.db2.gz QAKYRHVUKHLAHP-UHFFFAOYSA-N -1 3 304.371 2.736 20 0 DFADHM Cn1c(=O)cccc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337670849 426912680 /nfs/dbraw/zinc/91/26/80/426912680.db2.gz XHWMZWGNVXRHIS-UHFFFAOYSA-N -1 3 300.358 2.641 20 0 DFADHM CC1(C)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC(C)(C)O1 ZINC000275937125 426950732 /nfs/dbraw/zinc/95/07/32/426950732.db2.gz BKYYADPFMGSLFK-UHFFFAOYSA-N -1 3 314.385 2.970 20 0 DFADHM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCN(C2CC2)C1 ZINC000295427636 426954241 /nfs/dbraw/zinc/95/42/41/426954241.db2.gz UMFFEEGSMZXHSD-LLVKDONJSA-N -1 3 308.809 2.602 20 0 DFADHM Cn1cc(C(=O)Nc2ccc(Cl)cc2[O-])c([C@H]2CCOC2)n1 ZINC000275961907 426957170 /nfs/dbraw/zinc/95/71/70/426957170.db2.gz LZKKIQMVDROBAR-VIFPVBQESA-N -1 3 321.764 2.535 20 0 DFADHM COc1cc(C(=O)NC[C@@H](c2cccnc2)C(C)C)ccc1[O-] ZINC000275960561 426957919 /nfs/dbraw/zinc/95/79/19/426957919.db2.gz IBJSUKZGZAXLRV-OAHLLOKOSA-N -1 3 314.385 2.965 20 0 DFADHM COc1cc(C(=O)NC(C)(C)c2ncc(C)s2)ccc1[O-] ZINC000275988807 426962838 /nfs/dbraw/zinc/96/28/38/426962838.db2.gz MOMVXTBUTLSOHR-UHFFFAOYSA-N -1 3 306.387 2.831 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCN(C2CC2)C1 ZINC000295452216 426965080 /nfs/dbraw/zinc/96/50/80/426965080.db2.gz WRBKRYOAEDGCHN-NSHDSACASA-N -1 3 308.809 2.602 20 0 DFADHM CC(C)C[C@H](C)OC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000295463667 426970198 /nfs/dbraw/zinc/97/01/98/426970198.db2.gz FRTSSOFFLZMLJQ-ZDUSSCGKSA-N -1 3 322.405 2.673 20 0 DFADHM CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000295477741 426974209 /nfs/dbraw/zinc/97/42/09/426974209.db2.gz JCQSBBYEHCWPLE-DYVFJYSZSA-N -1 3 313.397 2.707 20 0 DFADHM Cc1ccsc1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000337803624 426974464 /nfs/dbraw/zinc/97/44/64/426974464.db2.gz JJTFNTHDKZZGBH-UHFFFAOYSA-N -1 3 303.355 2.813 20 0 DFADHM Oc1[n-]c(N2CCCC3(CCCCC3)CC2)nc2nncc1-2 ZINC000276060845 426976772 /nfs/dbraw/zinc/97/67/72/426976772.db2.gz BOXDCPNKFNEYID-UHFFFAOYSA-N -1 3 301.394 2.999 20 0 DFADHM CS[C@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000295484079 426977201 /nfs/dbraw/zinc/97/72/01/426977201.db2.gz DMYLUMBVSGLMSC-VIFPVBQESA-N -1 3 305.321 2.989 20 0 DFADHM Cc1nc(=N[C@H]2CCN(Cc3ccccc3)CC2(C)C)s[n-]1 ZINC000337816459 426982420 /nfs/dbraw/zinc/98/24/20/426982420.db2.gz OQKKVUIIIAWLKZ-HNNXBMFYSA-N -1 3 316.474 2.981 20 0 DFADHM CC(=O)Nc1ccc(C)c(NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000181881942 426987966 /nfs/dbraw/zinc/98/79/66/426987966.db2.gz TWIWERUDXWWCCK-GQCTYLIASA-N -1 3 311.341 2.706 20 0 DFADHM CCc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c([O-])c1 ZINC000276134916 426991330 /nfs/dbraw/zinc/99/13/30/426991330.db2.gz NKHXDHYUUBOVEP-UHFFFAOYSA-N -1 3 300.358 2.602 20 0 DFADHM CCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H]1CCCC[C@H]1C ZINC000181915746 426995252 /nfs/dbraw/zinc/99/52/52/426995252.db2.gz JZKLJCVLLDKHTD-BXUZGUMPSA-N -1 3 316.405 2.715 20 0 DFADHM Cc1ccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC000181256913 426931587 /nfs/dbraw/zinc/93/15/87/426931587.db2.gz MQCXUIUUJQQGHR-MRXNPFEDSA-N -1 3 311.381 2.784 20 0 DFADHM CCc1cc(C(=O)NCC2([C@@H](C)CCO)CCC2)ccc1[O-] ZINC000291642814 426936347 /nfs/dbraw/zinc/93/63/47/426936347.db2.gz IXNZDZCCCYWUIY-ZDUSSCGKSA-N -1 3 305.418 2.873 20 0 DFADHM Cc1cccc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000291661782 426943232 /nfs/dbraw/zinc/94/32/32/426943232.db2.gz XPQZCMSIQXIQLC-GFCCVEGCSA-N -1 3 305.765 2.638 20 0 DFADHM C[C@H]1SCCN(Cc2cc(=O)oc3cc([O-])ccc23)[C@@H]1C ZINC000182321612 427055435 /nfs/dbraw/zinc/05/54/35/427055435.db2.gz ZUFRVGBYDVJXQO-GHMZBOCLSA-N -1 3 305.399 2.824 20 0 DFADHM COC(=O)c1ccc([N-]S(=O)(=O)C2=CCCCC2)cc1F ZINC000296039234 427055550 /nfs/dbraw/zinc/05/55/50/427055550.db2.gz SLSYCNJINWJFAM-UHFFFAOYSA-N -1 3 313.350 2.812 20 0 DFADHM CCCCOc1ccc(C(=O)N(C)C[C@H]2CCCO2)c([O-])c1 ZINC000190266935 427058473 /nfs/dbraw/zinc/05/84/73/427058473.db2.gz GTEDXJJUCLEPIS-CQSZACIVSA-N -1 3 307.390 2.822 20 0 DFADHM CC(C)O[N-]C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000295543435 427000609 /nfs/dbraw/zinc/00/06/09/427000609.db2.gz KYYTXSLNDGCPDF-UHFFFAOYSA-N -1 3 311.179 2.929 20 0 DFADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc(C)cc1)[C@H](O)C(F)F ZINC000295551651 427002969 /nfs/dbraw/zinc/00/29/69/427002969.db2.gz TZMVGMCVOLZVOP-MNOVXSKESA-N -1 3 307.287 2.608 20 0 DFADHM CCc1ccc(C(=O)NCc2ccc([C@@H](C)O)c(C)n2)c([O-])c1 ZINC000276192431 427003730 /nfs/dbraw/zinc/00/37/30/427003730.db2.gz CUDLPDKSISBRRZ-GFCCVEGCSA-N -1 3 314.385 2.641 20 0 DFADHM Cc1cc(C(=O)N(C)CC(F)(F)Br)ccc1[O-] ZINC000291854397 427008071 /nfs/dbraw/zinc/00/80/71/427008071.db2.gz DRQPWQZTWPEFOA-UHFFFAOYSA-N -1 3 308.122 2.760 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1CCCN(c2ccccc2)C1 ZINC000182019587 427008840 /nfs/dbraw/zinc/00/88/40/427008840.db2.gz DVJGIYNPUVUCON-FDMDGMSGSA-N -1 3 323.396 2.586 20 0 DFADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)[N-]OC/C=C/Cl ZINC000291882082 427015576 /nfs/dbraw/zinc/01/55/76/427015576.db2.gz QLNQFRVEKCHEQE-VMPITWQZSA-N -1 3 313.829 2.889 20 0 DFADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)[N-]c1nncn1C ZINC000291898027 427019431 /nfs/dbraw/zinc/01/94/31/427019431.db2.gz KTPDRWKYAQSNDL-GFCCVEGCSA-N -1 3 308.769 2.511 20 0 DFADHM COCc1nc(S[C@@H](C)C(=O)c2ccc(C)c(C)c2)n[n-]1 ZINC000268451217 427020377 /nfs/dbraw/zinc/02/03/77/427020377.db2.gz AUURRYYLZDJGCN-NSHDSACASA-N -1 3 305.403 2.931 20 0 DFADHM COCc1nc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)n[n-]1 ZINC000268461133 427022949 /nfs/dbraw/zinc/02/29/49/427022949.db2.gz DVVKPNHKNPNNIW-SNVBAGLBSA-N -1 3 317.414 2.803 20 0 DFADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)/C=C/c2cncc([O-])c2)CCO1 ZINC000182190870 427022906 /nfs/dbraw/zinc/02/29/06/427022906.db2.gz AJXWMWXADQGFEH-KAWBWNIXSA-N -1 3 318.417 2.900 20 0 DFADHM COCc1nc(S[C@H](C)C(=O)Nc2ccc(C)cc2C)n[n-]1 ZINC000268459905 427024167 /nfs/dbraw/zinc/02/41/67/427024167.db2.gz DLOPMVVNSBJGET-LLVKDONJSA-N -1 3 320.418 2.687 20 0 DFADHM O=C(NCC1(CCO)CCCC1)c1c[n-]c2ccccc2c1=O ZINC000268463448 427025387 /nfs/dbraw/zinc/02/53/87/427025387.db2.gz AKJCXCGCDVZNBC-UHFFFAOYSA-N -1 3 314.385 2.613 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@H](OCc3ccccn3)C2)c([O-])c1 ZINC000268465880 427026771 /nfs/dbraw/zinc/02/67/71/427026771.db2.gz ASUPSJGRQPIQPX-HNNXBMFYSA-N -1 3 312.369 2.527 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000248652988 427027812 /nfs/dbraw/zinc/02/78/12/427027812.db2.gz VMVKKGIZHKTAME-HBNTYKKESA-N -1 3 303.449 2.860 20 0 DFADHM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000182226996 427031245 /nfs/dbraw/zinc/03/12/45/427031245.db2.gz SSCPMOQJSFSYEN-DZGCQCFKSA-N -1 3 318.417 2.549 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@]3(C2)OCc2ccccc23)n1 ZINC000248737594 427037871 /nfs/dbraw/zinc/03/78/71/427037871.db2.gz LGVCYBXBTFSRNB-ACJLOTCBSA-N -1 3 311.385 2.683 20 0 DFADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000182260139 427042422 /nfs/dbraw/zinc/04/24/22/427042422.db2.gz XMHWELQSLWJMNV-DZGCQCFKSA-N -1 3 318.417 2.549 20 0 DFADHM O=S(=O)(CCCCF)[N-]c1cnn(-c2ccccc2F)c1 ZINC000296003506 427043431 /nfs/dbraw/zinc/04/34/31/427043431.db2.gz QAEJJQXJHZABNF-UHFFFAOYSA-N -1 3 315.345 2.503 20 0 DFADHM Cc1nc(S(=O)(=O)CC[C@H]2CCCO2)[n-]c1-c1ccccc1 ZINC000276370363 427047411 /nfs/dbraw/zinc/04/74/11/427047411.db2.gz OGQYIRJNTDAFJI-CQSZACIVSA-N -1 3 320.414 2.728 20 0 DFADHM Cc1[n-]c(S(=O)(=O)CC[C@H]2CCCO2)nc1-c1ccccc1 ZINC000276370363 427047415 /nfs/dbraw/zinc/04/74/15/427047415.db2.gz OGQYIRJNTDAFJI-CQSZACIVSA-N -1 3 320.414 2.728 20 0 DFADHM CCCc1cc(=O)[n-]c(C(=Cc2cnc(N(C)C)nc2)CC)n1 ZINC000296023242 427048891 /nfs/dbraw/zinc/04/88/91/427048891.db2.gz USNNSSOIOINLGJ-JYRVWZFOSA-N -1 3 313.405 2.941 20 0 DFADHM CCO[C@H]1C[C@@H]1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000296028557 427050112 /nfs/dbraw/zinc/05/01/12/427050112.db2.gz LSKYXXAMTDOVAJ-KWQFWETISA-N -1 3 314.179 2.827 20 0 DFADHM NC(=O)CCSc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000182326166 427053633 /nfs/dbraw/zinc/05/36/33/427053633.db2.gz LPXJIMYTQCCAOE-UHFFFAOYSA-N -1 3 316.382 2.612 20 0 DFADHM CCCN(C(=O)c1cccc(OC)c1[O-])[C@H](CC)C(=O)OCC ZINC000276960231 427128396 /nfs/dbraw/zinc/12/83/96/427128396.db2.gz TYVAFJWSURFOLK-CYBMUJFWSA-N -1 3 323.389 2.595 20 0 DFADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(F)cn3)cc2)n1 ZINC000182397971 427068783 /nfs/dbraw/zinc/06/87/83/427068783.db2.gz ZLXCUCAFKSHCSV-UHFFFAOYSA-N -1 3 324.315 2.532 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000292049582 427069953 /nfs/dbraw/zinc/06/99/53/427069953.db2.gz BBJFPIRHMKZSBF-ZBFHGGJFSA-N -1 3 318.417 2.633 20 0 DFADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1nc2ccccc2s1 ZINC000296100256 427075092 /nfs/dbraw/zinc/07/50/92/427075092.db2.gz FYJPTCKODSWKDG-UHFFFAOYSA-N -1 3 323.374 2.691 20 0 DFADHM O=S(=O)([N-][C@@H]1CCCc2c(O)cccc21)c1ccccc1F ZINC000190344185 427080156 /nfs/dbraw/zinc/08/01/56/427080156.db2.gz XGKCZQZSSVHKAN-CQSZACIVSA-N -1 3 321.373 2.887 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000292072246 427080775 /nfs/dbraw/zinc/08/07/75/427080775.db2.gz IQVYIHZHYGZHFL-IACUBPJLSA-N -1 3 305.374 2.655 20 0 DFADHM O=S(=O)([N-][C@@H]1CCCc2c(O)cccc21)c1cccs1 ZINC000190345751 427081634 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CO[C@H]1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1(C)C ZINC000296214672 427114079 /nfs/dbraw/zinc/11/40/79/427114079.db2.gz WNRUQIXYKSJNSV-INIZCTEOSA-N -1 3 317.385 2.746 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000292170191 427118046 /nfs/dbraw/zinc/11/80/46/427118046.db2.gz LVUXMMGTOXNWDE-OCCSQVGLSA-N -1 3 304.390 2.672 20 0 DFADHM COCCCCC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000276806404 427124595 /nfs/dbraw/zinc/12/45/95/427124595.db2.gz RWXMBXRYWGPOSY-UHFFFAOYSA-N -1 3 314.345 2.973 20 0 DFADHM COCCCCC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000276806404 427124599 /nfs/dbraw/zinc/12/45/99/427124599.db2.gz RWXMBXRYWGPOSY-UHFFFAOYSA-N -1 3 314.345 2.973 20 0 DFADHM COCCCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000276806404 427124608 /nfs/dbraw/zinc/12/46/08/427124608.db2.gz RWXMBXRYWGPOSY-UHFFFAOYSA-N -1 3 314.345 2.973 20 0 DFADHM COCCOc1cccc(/C=C/C(=O)[N-]OC/C=C/Cl)c1 ZINC000292211949 427132901 /nfs/dbraw/zinc/13/29/01/427132901.db2.gz PWHCBBRWZQGHKE-KQYLTSGPSA-N -1 3 311.765 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ZINC000171316459 271102856 /nfs/dbraw/zinc/10/28/56/271102856.db2.gz OMNGWTCFQDAOOT-OAHLLOKOSA-N -1 3 301.342 2.518 20 0 DFADHM CCc1nnc([N-]C(=O)c2ccc(Br)cn2)s1 ZINC000171177232 271102928 /nfs/dbraw/zinc/10/29/28/271102928.db2.gz NVJBVSBRZYZDDI-UHFFFAOYSA-N -1 3 313.180 2.510 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@H](OC)c2ccccc2)c1 ZINC000171843790 271107278 /nfs/dbraw/zinc/10/72/78/271107278.db2.gz UUZPYQHIUAHECW-INIZCTEOSA-N -1 3 301.342 2.518 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1C ZINC000174257144 271136012 /nfs/dbraw/zinc/13/60/12/271136012.db2.gz YHTJHIZAZFLJNY-UHFFFAOYSA-N -1 3 307.371 2.818 20 0 DFADHM Cc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(F)c1 ZINC000175884381 271161278 /nfs/dbraw/zinc/16/12/78/271161278.db2.gz XLKWIXWOSBZDQK-UHFFFAOYSA-N -1 3 322.361 2.758 20 0 DFADHM CCNC(=O)c1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1 ZINC000189827847 271205980 /nfs/dbraw/zinc/20/59/80/271205980.db2.gz MYNNXOWMKQLNFE-UHFFFAOYSA-N -1 3 312.369 2.957 20 0 DFADHM CCc1ccc(C(=O)NCCc2nn(C)c3ccccc23)c([O-])c1 ZINC000189850438 271207422 /nfs/dbraw/zinc/20/74/22/271207422.db2.gz BNDGWCNQWFHJSD-UHFFFAOYSA-N -1 3 323.396 2.814 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2csc(Cl)c2)n[n-]1 ZINC000190572949 271213371 /nfs/dbraw/zinc/21/33/71/271213371.db2.gz LOFRQGYCZNTSGB-UHFFFAOYSA-N -1 3 307.766 2.777 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2csc(Cl)c2)[n-]n1 ZINC000190572949 271213373 /nfs/dbraw/zinc/21/33/73/271213373.db2.gz LOFRQGYCZNTSGB-UHFFFAOYSA-N -1 3 307.766 2.777 20 0 DFADHM Cc1csc(C(=O)[N-]c2nncs2)c1Br ZINC000190871709 271224213 /nfs/dbraw/zinc/22/42/13/271224213.db2.gz DPVMROPXJQRRDD-UHFFFAOYSA-N -1 3 304.194 2.923 20 0 DFADHM C[C@H](O)CC(C)(C)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000182932850 427168579 /nfs/dbraw/zinc/16/85/79/427168579.db2.gz KKJSYEMXPIUQPG-LBPRGKRZSA-N -1 3 305.418 2.798 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@H](c2nccs2)C(F)(F)F)n1 ZINC000292961743 271346559 /nfs/dbraw/zinc/34/65/59/271346559.db2.gz LNBAABGFRPDQQX-SNVBAGLBSA-N -1 3 318.324 2.594 20 0 DFADHM CCCn1ccc2ccc(NC([O-])=NOC(C)(C)CO)cc21 ZINC000297038391 271355399 /nfs/dbraw/zinc/35/53/99/271355399.db2.gz WWMGYFIBROIONT-UHFFFAOYSA-N -1 3 305.378 2.875 20 0 DFADHM CCCn1ccc2ccc(NC(=O)[N-]OC(C)(C)CO)cc21 ZINC000297038391 271355401 /nfs/dbraw/zinc/35/54/01/271355401.db2.gz WWMGYFIBROIONT-UHFFFAOYSA-N -1 3 305.378 2.875 20 0 DFADHM COc1cccc(C(=O)NC[C@@H](C)Oc2cccc(C)c2)c1[O-] ZINC000304040088 271365752 /nfs/dbraw/zinc/36/57/52/271365752.db2.gz NUJSJERQMKDGKI-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM O=C(CCC(=O)N1CCCc2cccc([O-])c21)NC1CCCC1 ZINC000182936973 427171515 /nfs/dbraw/zinc/17/15/15/427171515.db2.gz SIDJJZXNCNWRQU-UHFFFAOYSA-N -1 3 316.401 2.510 20 0 DFADHM O=C1CCCCc2ccc([N-]S(=O)(=O)C[C@@H]3CCCO3)cc21 ZINC000333868454 271398640 /nfs/dbraw/zinc/39/86/40/271398640.db2.gz RLHVNIVYFJRIEJ-AWEZNQCLSA-N -1 3 323.414 2.516 20 0 DFADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@]3(C)CC=CCC3)cn21 ZINC000333881063 271399579 /nfs/dbraw/zinc/39/95/79/271399579.db2.gz 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Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccc([O-])cc1F ZINC000183249488 427231268 /nfs/dbraw/zinc/23/12/68/427231268.db2.gz IULLIKNUMNBOHQ-GQCTYLIASA-N -1 3 309.728 2.879 20 0 DFADHM CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000183248848 427231468 /nfs/dbraw/zinc/23/14/68/427231468.db2.gz NWYUYAURKXMUEY-CQSZACIVSA-N -1 3 308.353 2.651 20 0 DFADHM CC[C@H](C)N(CC(=O)OC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000296788096 427231820 /nfs/dbraw/zinc/23/18/20/427231820.db2.gz DXONUGOENFJULU-LBPRGKRZSA-N -1 3 315.369 2.959 20 0 DFADHM CCOc1cc(-c2noc(-c3cc4n(n3)CCC4)n2)ccc1[O-] ZINC000296826412 427241556 /nfs/dbraw/zinc/24/15/56/427241556.db2.gz MHZVAVMFAWNTGL-UHFFFAOYSA-N -1 3 312.329 2.651 20 0 DFADHM O=C(/C=C\c1cnn(-c2ccccc2)c1)[N-]OCc1cccnc1 ZINC000255127399 427242142 /nfs/dbraw/zinc/24/21/42/427242142.db2.gz YMSUBEBTGCWQHC-HJWRWDBZSA-N -1 3 320.352 2.529 20 0 DFADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C(C)(C)O1 ZINC000183312233 427245214 /nfs/dbraw/zinc/24/52/14/427245214.db2.gz 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CC(C)n1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)n1 ZINC000436597557 429200856 /nfs/dbraw/zinc/20/08/56/429200856.db2.gz VWWCXLYFQPQMJN-UHFFFAOYSA-N -1 3 315.373 3.135 20 0 DFADHM COc1cccc(C(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)c1[O-] ZINC000436831998 429201458 /nfs/dbraw/zinc/20/14/58/429201458.db2.gz QUSNNIHUGSACFH-LLVKDONJSA-N -1 3 315.373 3.129 20 0 DFADHM Cn1nc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1C1CC1 ZINC000436937583 429203689 /nfs/dbraw/zinc/20/36/89/429203689.db2.gz GFXRJBKHVOUSDK-UHFFFAOYSA-N -1 3 311.385 3.134 20 0 DFADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000364614735 429234671 /nfs/dbraw/zinc/23/46/71/429234671.db2.gz RECWUJCLWUXJRI-JTQLQIEISA-N -1 3 311.320 2.748 20 0 DFADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000364614735 429234675 /nfs/dbraw/zinc/23/46/75/429234675.db2.gz RECWUJCLWUXJRI-JTQLQIEISA-N -1 3 311.320 2.748 20 0 DFADHM CSc1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c([O-])c1 ZINC000364617581 429234854 /nfs/dbraw/zinc/23/48/54/429234854.db2.gz 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ZINC000425285347 429257016 /nfs/dbraw/zinc/25/70/16/429257016.db2.gz RWPQJOVBLLGMRE-CYBMUJFWSA-N -1 3 308.389 2.695 20 0 DFADHM O=S(=O)([N-]Cc1ccco1)c1ccc(C(F)(F)F)cc1F ZINC000443987679 429259462 /nfs/dbraw/zinc/25/94/62/429259462.db2.gz KRORLITZGKBLQU-UHFFFAOYSA-N -1 3 323.267 2.916 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OC[C@@H]2CCC(C)(C)O2)cc1[O-] ZINC000495754810 429259847 /nfs/dbraw/zinc/25/98/47/429259847.db2.gz MEFQVJJJGPXCHQ-NSHDSACASA-N -1 3 323.345 2.685 20 0 DFADHM COC(=O)c1ccc(NC(=O)c2cccc(C)c2[O-])c(OC)c1 ZINC000444370882 429272560 /nfs/dbraw/zinc/27/25/60/429272560.db2.gz JZYCPAQYTOGHMM-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM CCc1ccc(C(=O)N(C)[C@@H]2C[C@@H](OC)C23CCC3)c([O-])c1 ZINC000456597306 429327985 /nfs/dbraw/zinc/32/79/85/429327985.db2.gz WQNQAILVUFXXMB-HZPDHXFCSA-N -1 3 303.402 2.984 20 0 DFADHM CCc1ccc(C(=O)N(C)[C@H]2C[C@@H](OC)C23CCC3)c([O-])c1 ZINC000456597307 429328157 /nfs/dbraw/zinc/32/81/57/429328157.db2.gz WQNQAILVUFXXMB-JKSUJKDBSA-N -1 3 303.402 2.984 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC23CCOCC3)c([O-])c1 ZINC000365522602 429333508 /nfs/dbraw/zinc/33/35/08/429333508.db2.gz OQSMVPCOCCKSCX-UHFFFAOYSA-N -1 3 319.401 2.966 20 0 DFADHM CCCOc1ccc(C(=O)Nc2ncccc2[O-])c(OC)c1 ZINC000449108558 429335252 /nfs/dbraw/zinc/33/52/52/429335252.db2.gz RWAIUKQTLFIVTQ-UHFFFAOYSA-N -1 3 302.330 2.837 20 0 DFADHM CSc1ccc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c([O-])c1 ZINC000365527946 429335521 /nfs/dbraw/zinc/33/55/21/429335521.db2.gz ZNFMCUUUOOYLFU-ABAIWWIYSA-N -1 3 307.415 2.802 20 0 DFADHM CC1(CNC(=O)c2cccc([O-])c2)CN(Cc2ccccc2)C1 ZINC000365567185 429341737 /nfs/dbraw/zinc/34/17/37/429341737.db2.gz VCLLYPLCMCMDQH-UHFFFAOYSA-N -1 3 310.397 2.644 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000445739350 429290083 /nfs/dbraw/zinc/29/00/83/429290083.db2.gz BQFXGYBOARUTBA-VHSXEESVSA-N -1 3 311.325 2.927 20 0 DFADHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)OC ZINC000490551598 429293103 /nfs/dbraw/zinc/29/31/03/429293103.db2.gz RCTIPNKSVAEGIL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/39/74/43/429397443.db2.gz AIEHZYUGEVYMFT-NWANDNLSSA-N -1 3 300.358 2.844 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCCOc2ccc(F)c(F)c2)c1 ZINC000518049161 429408801 /nfs/dbraw/zinc/40/88/01/429408801.db2.gz BDUAALJALKUQNN-UHFFFAOYSA-N -1 3 307.296 2.788 20 0 DFADHM O=C([O-])c1ccc(CNCc2cc3ccccc3[nH]c2=O)cc1 ZINC000426682392 429408980 /nfs/dbraw/zinc/40/89/80/429408980.db2.gz IBWLFMIRPPHJLJ-UHFFFAOYSA-N -1 3 308.337 2.928 20 0 DFADHM C[C@@H](C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C)C1CC1 ZINC000365702724 429360302 /nfs/dbraw/zinc/36/03/02/429360302.db2.gz CBAOLFCPYGYMPD-SECBINFHSA-N -1 3 304.781 2.542 20 0 DFADHM COC[C@H]1CCCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000456949018 429367627 /nfs/dbraw/zinc/36/76/27/429367627.db2.gz DLZXXQAUSOFRJN-OAHLLOKOSA-N -1 3 303.402 2.912 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2cccc(OC(C)C)c2)[n-]1 ZINC000491504418 429367768 /nfs/dbraw/zinc/36/77/68/429367768.db2.gz IEFREYJWKWABJF-BQYQJAHWSA-N -1 3 318.402 2.966 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2cccc(OC(C)C)c2)n1 ZINC000491504418 429367772 /nfs/dbraw/zinc/36/77/72/429367772.db2.gz IEFREYJWKWABJF-BQYQJAHWSA-N -1 3 318.402 2.966 20 0 DFADHM CSc1nc(NC(=O)C=Cc2cccc(OC(C)C)c2)n[n-]1 ZINC000491504418 429367774 /nfs/dbraw/zinc/36/77/74/429367774.db2.gz IEFREYJWKWABJF-BQYQJAHWSA-N -1 3 318.402 2.966 20 0 DFADHM CCCSCC(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000365780469 429370025 /nfs/dbraw/zinc/37/00/25/429370025.db2.gz HFEYUGCBPMXUQB-UHFFFAOYSA-N -1 3 324.837 2.639 20 0 DFADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000457310041 429442683 /nfs/dbraw/zinc/44/26/83/429442683.db2.gz XCBUDEMQCHYYOD-DOTOQJQBSA-N -1 3 304.390 2.905 20 0 DFADHM C[C@@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000366267469 429444644 /nfs/dbraw/zinc/44/46/44/429444644.db2.gz QVWSCTWSVRVWAV-NOZJJQNGSA-N -1 3 322.361 2.590 20 0 DFADHM O=C(/C=C/c1nc2ccccc2s1)NCc1ncccc1[O-] ZINC000491993725 429447838 /nfs/dbraw/zinc/44/78/38/429447838.db2.gz ANNQSNMRKONTEQ-BQYQJAHWSA-N -1 3 311.366 2.727 20 0 DFADHM CCc1cccc2c(CCNC(=O)Cc3cncc([O-])c3)c[nH]c21 ZINC000519179944 429451105 /nfs/dbraw/zinc/45/11/05/429451105.db2.gz DFJRYZLYEJNEBH-UHFFFAOYSA-N -1 3 323.396 2.732 20 0 DFADHM COc1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)c([O-])c1 ZINC000492018970 429452936 /nfs/dbraw/zinc/45/29/36/429452936.db2.gz NMQTUTNOQHOVDC-XVNBXDOJSA-N -1 3 311.337 2.988 20 0 DFADHM CSc1ccc(OCCN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000519412938 429457498 /nfs/dbraw/zinc/45/74/98/429457498.db2.gz VFNQSZZQVGAPMB-OAHLLOKOSA-N -1 3 321.442 2.974 20 0 DFADHM Cc1ccc2[nH]c([N-]S(=O)(=O)Cc3ccccc3F)nc2c1 ZINC000427625154 429459328 /nfs/dbraw/zinc/45/93/28/429459328.db2.gz CQRGCQOXHUGUMU-UHFFFAOYSA-N -1 3 319.361 2.952 20 0 DFADHM Cc1ccc2nc([N-]S(=O)(=O)Cc3ccccc3F)[nH]c2c1 ZINC000427625154 429459335 /nfs/dbraw/zinc/45/93/35/429459335.db2.gz CQRGCQOXHUGUMU-UHFFFAOYSA-N -1 3 319.361 2.952 20 0 DFADHM Cn1cc(-c2c[nH]cc2C(=O)Nc2cc(F)ccc2[O-])cn1 ZINC000427659420 429462403 /nfs/dbraw/zinc/46/24/03/429462403.db2.gz IXNKZEIDBOMNEW-UHFFFAOYSA-N 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O=C(/C=C\c1ccc(OC(F)F)cc1)[N-]OCC(F)(F)F ZINC000492182103 429482378 /nfs/dbraw/zinc/48/23/78/429482378.db2.gz NQEFHMBYKTVSTJ-UTCJRWHESA-N -1 3 311.206 2.911 20 0 DFADHM C[C@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C(=O)[O-] ZINC000519770367 429487485 /nfs/dbraw/zinc/48/74/85/429487485.db2.gz KUGKTRADFARGAU-BLLLJJGKSA-N -1 3 317.364 2.554 20 0 DFADHM Cc1ccncc1C1=CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000366719212 429499148 /nfs/dbraw/zinc/49/91/48/429499148.db2.gz HBVQTZYKLJZVMX-UHFFFAOYSA-N -1 3 310.353 2.731 20 0 DFADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1c[n-]c2ccncc2c1=O ZINC000520189799 429503178 /nfs/dbraw/zinc/50/31/78/429503178.db2.gz QAKNNJVVSHDRHI-LRDDRELGSA-N -1 3 313.401 2.964 20 0 DFADHM O=C(/C=C/c1cnccn1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492294411 429504371 /nfs/dbraw/zinc/50/43/71/429504371.db2.gz BEYBCNNLOFRFFG-DUXPYHPUSA-N -1 3 309.247 2.853 20 0 DFADHM COC(=O)[C@@H](NCc1nc(C)ccc1[O-])c1cc(C)cc(C)c1 ZINC000428403658 429518280 /nfs/dbraw/zinc/51/82/80/429518280.db2.gz 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/nfs/dbraw/zinc/54/85/15/429548515.db2.gz LCFDABUIOZCSJP-UHFFFAOYSA-N -1 3 309.369 2.868 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C12CCCC2 ZINC000449990316 429550384 /nfs/dbraw/zinc/55/03/84/429550384.db2.gz RHBIRJNETJVKMN-HOTGVXAUSA-N -1 3 321.392 2.928 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C12CCCC2 ZINC000449990317 429550875 /nfs/dbraw/zinc/55/08/75/429550875.db2.gz RHBIRJNETJVKMN-HZPDHXFCSA-N -1 3 321.392 2.928 20 0 DFADHM O=C(/C=C\c1ccc2c(c1)OCCO2)Nc1ccc([O-])cc1F ZINC000492494210 429551207 /nfs/dbraw/zinc/55/12/07/429551207.db2.gz YKWGHVTWAIYFGB-KXFIGUGUSA-N -1 3 315.300 2.954 20 0 DFADHM O=C(/C=C\c1ccc(C(F)(F)F)cc1)[N-]O[C@@H]1CCOC1 ZINC000492505629 429553235 /nfs/dbraw/zinc/55/32/35/429553235.db2.gz PYVXLAVGJATYHB-GCLPIYDQSA-N -1 3 301.264 2.555 20 0 DFADHM CCc1cc(C(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)ccc1[O-] ZINC000457970670 429556861 /nfs/dbraw/zinc/55/68/61/429556861.db2.gz ZHDKJEVQPATRPP-LSDHHAIUSA-N -1 3 301.386 2.596 20 0 DFADHM CCc1nc([C@H](C)NC(=O)/C=C\c2cncc([O-])c2)cs1 ZINC000492524128 429557445 /nfs/dbraw/zinc/55/74/45/429557445.db2.gz ZKUXZUGCRFKMQM-LWTINBJPSA-N -1 3 303.387 2.697 20 0 DFADHM C[C@@H](CNC(=O)/C=C\c1cncc([O-])c1)Cc1cccs1 ZINC000492521740 429557749 /nfs/dbraw/zinc/55/77/49/429557749.db2.gz RANQTEXJHUOOKZ-QMAVJUDZSA-N -1 3 302.399 2.857 20 0 DFADHM COc1ccccc1C(C)(C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492523080 429557908 /nfs/dbraw/zinc/55/79/08/429557908.db2.gz VWRCVBNYFYUBAN-HJWRWDBZSA-N -1 3 312.369 2.861 20 0 DFADHM Cc1ncc(CNC(=O)C=Cc2ccc(F)c(Cl)c2)c(=O)[n-]1 ZINC000492543656 429562804 /nfs/dbraw/zinc/56/28/04/429562804.db2.gz XOVPUWUTFYHWHS-HYXAFXHYSA-N -1 3 321.739 2.613 20 0 DFADHM O=C(/C=C/c1ccc(Br)cc1)[N-]OCC(F)F ZINC000492557432 429565724 /nfs/dbraw/zinc/56/57/24/429565724.db2.gz CHIWKDJEIRMSHK-ZZXKWVIFSA-N -1 3 306.106 2.775 20 0 DFADHM CCOc1nc2cc(C(=O)N3C[C@@H](C)OC[C@@H]3CC)ccc2[n-]1 ZINC000450093499 429566440 /nfs/dbraw/zinc/56/64/40/429566440.db2.gz ZAWQRDXOJWDJPL-YPMHNXCESA-N -1 3 317.389 2.601 20 0 DFADHM CCOc1nc2ccc(C(=O)N3C[C@@H](C)OC[C@@H]3CC)cc2[n-]1 ZINC000450093499 429566444 /nfs/dbraw/zinc/56/64/44/429566444.db2.gz ZAWQRDXOJWDJPL-YPMHNXCESA-N -1 3 317.389 2.601 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)c3cccnc3C3CC3)[n-]2)o1 ZINC000450139270 429571887 /nfs/dbraw/zinc/57/18/87/429571887.db2.gz IOFWTOFHCIKMBH-UHFFFAOYSA-N -1 3 309.329 2.898 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccnc3C3CC3)n2)o1 ZINC000450139270 429571889 /nfs/dbraw/zinc/57/18/89/429571889.db2.gz IOFWTOFHCIKMBH-UHFFFAOYSA-N -1 3 309.329 2.898 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)c3cccnc3C3CC3)n[n-]2)o1 ZINC000450139270 429571896 /nfs/dbraw/zinc/57/18/96/429571896.db2.gz IOFWTOFHCIKMBH-UHFFFAOYSA-N -1 3 309.329 2.898 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCC[C@H]3CSC)ccc2[n-]1 ZINC000450154940 429574681 /nfs/dbraw/zinc/57/46/81/429574681.db2.gz BLEBNNSHFDCJCA-LBPRGKRZSA-N -1 3 319.430 2.929 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCC[C@H]3CSC)cc2[n-]1 ZINC000450154940 429574685 /nfs/dbraw/zinc/57/46/85/429574685.db2.gz BLEBNNSHFDCJCA-LBPRGKRZSA-N -1 3 319.430 2.929 20 0 DFADHM COc1cccc2c1CCN(Cc1cc(C(=O)[O-])co1)CC2 ZINC000522008109 429576053 /nfs/dbraw/zinc/57/60/53/429576053.db2.gz LZYUBQGAJGVHEI-UHFFFAOYSA-N -1 3 301.342 2.587 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](CC)[C@H]3CCCO3)ccc2[n-]1 ZINC000450242898 429585209 /nfs/dbraw/zinc/58/52/09/429585209.db2.gz KKCKAPBYWKMPGR-IUODEOHRSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](CC)[C@H]3CCCO3)cc2[n-]1 ZINC000450242898 429585216 /nfs/dbraw/zinc/58/52/16/429585216.db2.gz KKCKAPBYWKMPGR-IUODEOHRSA-N -1 3 317.389 2.649 20 0 DFADHM COc1ccc(/C=C/C(=O)[N-]OC2CCOCC2)cc1Cl ZINC000492645245 429585324 /nfs/dbraw/zinc/58/53/24/429585324.db2.gz JQAZBUYGLIVZPV-HWKANZROSA-N -1 3 311.765 2.589 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](CC)[C@@H]3CCCO3)ccc2[n-]1 ZINC000450242897 429585704 /nfs/dbraw/zinc/58/57/04/429585704.db2.gz KKCKAPBYWKMPGR-DOMZBBRYSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](CC)[C@@H]3CCCO3)cc2[n-]1 ZINC000450242897 429585708 /nfs/dbraw/zinc/58/57/08/429585708.db2.gz KKCKAPBYWKMPGR-DOMZBBRYSA-N -1 3 317.389 2.649 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cscn1)c1cc(F)ccc1F ZINC000521037133 429536240 /nfs/dbraw/zinc/53/62/40/429536240.db2.gz ACHFDSUUXZKOPL-NSHDSACASA-N -1 3 318.370 2.851 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCN(c2ccccc2)C1 ZINC000449910936 429536278 /nfs/dbraw/zinc/53/62/78/429536278.db2.gz HJWSPGNAXGGOMZ-CQSZACIVSA-N -1 3 314.360 2.674 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc(-c2csnn2)cc1 ZINC000492445057 429539243 /nfs/dbraw/zinc/53/92/43/429539243.db2.gz RPDIUHBXXNBSHH-LZCJLJQNSA-N -1 3 324.365 2.958 20 0 DFADHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429881876 429637388 /nfs/dbraw/zinc/63/73/88/429637388.db2.gz DTLNGKJJOKZZRW-KWQFWETISA-N -1 3 324.229 2.697 20 0 DFADHM CC(C)(CO)O[N-]C(=O)/C=C/c1cc(Cl)ccc1Cl ZINC000492953672 429652965 /nfs/dbraw/zinc/65/29/65/429652965.db2.gz HVZYLGPFRPCWQK-ZZXKWVIFSA-N -1 3 304.173 2.825 20 0 DFADHM COCCCO[N-]C(=O)/C=C\c1cc(Br)cs1 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COc1cc(/C=C\C(=O)[N-]OCCC(F)(F)F)cc(OC)c1 ZINC000492718045 429600227 /nfs/dbraw/zinc/60/02/27/429600227.db2.gz JVYATQNZLMDWBZ-ARJAWSKDSA-N -1 3 319.279 2.717 20 0 DFADHM O=C(/C=C\c1ccc(OC(F)F)cc1)[N-]OC1CCOCC1 ZINC000492737556 429603875 /nfs/dbraw/zinc/60/38/75/429603875.db2.gz NVAXVMAEMNXUBU-UTCJRWHESA-N -1 3 313.300 2.528 20 0 DFADHM COc1ccc(-c2noc([N-][C@@H]3CCCC[C@H]3OC)n2)cc1 ZINC000450359239 429608648 /nfs/dbraw/zinc/60/86/48/429608648.db2.gz VMZBFBUCMBARFD-ZIAGYGMSSA-N -1 3 303.362 3.115 20 0 DFADHM COc1cccc([C@@H]2C[C@@H](C)CN2Cc2n[n-]c(=O)s2)c1 ZINC000367461919 429652258 /nfs/dbraw/zinc/65/22/58/429652258.db2.gz CBJDHECNQGYHJP-MFKMUULPSA-N -1 3 305.403 2.835 20 0 DFADHM CC(C)Oc1cc(O)ccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000492958838 429655375 /nfs/dbraw/zinc/65/53/75/429655375.db2.gz UCNSFVQXDUQLNJ-ZZXKWVIFSA-N -1 3 314.341 2.932 20 0 DFADHM Cc1ccc(C)c(CN(C)C(=O)c2cnc3c(cnn3C)c2[O-])c1 ZINC000430193813 429661117 /nfs/dbraw/zinc/66/11/17/429661117.db2.gz GIAYOTKGPPYEGD-UHFFFAOYSA-N 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/nfs/dbraw/zinc/67/20/40/429672040.db2.gz HMQULLOJNIZRMH-SECBINFHSA-N -1 3 319.331 2.592 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2ccc3c(c2)nc(C)n3C)c1 ZINC000525775112 429673564 /nfs/dbraw/zinc/67/35/64/429673564.db2.gz WZTKXQNGLSAUDF-UHFFFAOYSA-N -1 3 311.341 2.848 20 0 DFADHM C/C=C\C[C@@H](CO)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450705666 429681584 /nfs/dbraw/zinc/68/15/84/429681584.db2.gz IIDXWBGJWKVAIB-YPQKKHBXSA-N -1 3 313.397 2.921 20 0 DFADHM C/C=C\C[C@H](CO)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450705665 429681627 /nfs/dbraw/zinc/68/16/27/429681627.db2.gz IIDXWBGJWKVAIB-RXYHWBRQSA-N -1 3 313.397 2.921 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@H](C)C(F)(F)F)ccc2[n-]1 ZINC000450736329 429687984 /nfs/dbraw/zinc/68/79/84/429687984.db2.gz FJFFYGGKXVLZKS-QMMMGPOBSA-N -1 3 315.295 2.890 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@H](C)C(F)(F)F)cc2[n-]1 ZINC000450736329 429687988 /nfs/dbraw/zinc/68/79/88/429687988.db2.gz FJFFYGGKXVLZKS-QMMMGPOBSA-N -1 3 315.295 2.890 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@]12CCOC2 ZINC000367643063 429692163 /nfs/dbraw/zinc/69/21/63/429692163.db2.gz LCJLAFNPXZMIDG-GOSISDBHSA-N -1 3 301.386 2.666 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)NCc2nnc(C(F)(F)F)[n-]2)C[C@H]1C ZINC000450747393 429692257 /nfs/dbraw/zinc/69/22/57/429692257.db2.gz OHIYGEGKNHQBQB-HLTSFMKQSA-N -1 3 304.316 2.512 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)NCc2n[n-]c(C(F)(F)F)n2)C[C@H]1C ZINC000450747393 429692262 /nfs/dbraw/zinc/69/22/62/429692262.db2.gz OHIYGEGKNHQBQB-HLTSFMKQSA-N -1 3 304.316 2.512 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@H]1C ZINC000450747393 429692265 /nfs/dbraw/zinc/69/22/65/429692265.db2.gz OHIYGEGKNHQBQB-HLTSFMKQSA-N -1 3 304.316 2.512 20 0 DFADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)N(C)CCCC(=O)[O-])cc1 ZINC000430659827 429707554 /nfs/dbraw/zinc/70/75/54/429707554.db2.gz MEJZSXRYRNYBJZ-KBPBESRZSA-N -1 3 320.433 2.611 20 0 DFADHM C[C@@H](C(=O)Nc1cccc2ccccc21)N(C)CCCC(=O)[O-] ZINC000430678633 429708779 /nfs/dbraw/zinc/70/87/79/429708779.db2.gz NDIXEQXTXYSIQN-ZDUSSCGKSA-N -1 3 314.385 2.963 20 0 DFADHM Cc1cc(C)c(NC(=O)[C@H](C)N(C)CCCC(=O)[O-])c(C)c1 ZINC000430672834 429709661 /nfs/dbraw/zinc/70/96/61/429709661.db2.gz XEJGMAVFTDUQRW-AWEZNQCLSA-N -1 3 306.406 2.735 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1COc2cccc(F)c21 ZINC000367796494 429718468 /nfs/dbraw/zinc/71/84/68/429718468.db2.gz SGGRAVGLPDQQES-GFCCVEGCSA-N -1 3 320.295 2.603 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c(=O)[n-]1 ZINC000367809586 429721243 /nfs/dbraw/zinc/72/12/43/429721243.db2.gz HSSLNRPOGGEPPF-SGTLLEGYSA-N -1 3 317.433 2.770 20 0 DFADHM CC(C)(C)c1cnc(NC(=O)c2cccc3nn[n-]c32)s1 ZINC000527107605 429724172 /nfs/dbraw/zinc/72/41/72/429724172.db2.gz IYCRHFWONQDZBM-UHFFFAOYSA-N -1 3 301.375 2.964 20 0 DFADHM CC(C)(C)c1cnc(NC(=O)c2cccc3[n-]nnc32)s1 ZINC000527107605 429724176 /nfs/dbraw/zinc/72/41/76/429724176.db2.gz IYCRHFWONQDZBM-UHFFFAOYSA-N -1 3 301.375 2.964 20 0 DFADHM CC(C)(C)c1cnc(NC(=O)c2cccc3n[n-]nc32)s1 ZINC000527107605 429724179 /nfs/dbraw/zinc/72/41/79/429724179.db2.gz IYCRHFWONQDZBM-UHFFFAOYSA-N -1 3 301.375 2.964 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000527151918 429727987 /nfs/dbraw/zinc/72/79/87/429727987.db2.gz BEPMUVODMLJAEM-MGPQQGTHSA-N -1 3 303.406 2.945 20 0 DFADHM CO[C@@H](C(=O)Nc1ccc(Br)cc1[O-])C1CC1 ZINC000527156863 429728469 /nfs/dbraw/zinc/72/84/69/429728469.db2.gz WPONGVROTMUURA-LLVKDONJSA-N -1 3 300.152 2.518 20 0 DFADHM COCC[C@@H](c1ccccc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450920124 429731462 /nfs/dbraw/zinc/73/14/62/429731462.db2.gz TWSNPYCPTBRNEF-HNNXBMFYSA-N -1 3 317.389 2.732 20 0 DFADHM CCO[C@@H]1C[C@@H](NCc2nc(CC)cc(=O)[n-]2)C12CCCC2 ZINC000450966847 429740462 /nfs/dbraw/zinc/74/04/62/429740462.db2.gz IPTRUYPSUIHCIK-ZIAGYGMSSA-N -1 3 305.422 2.572 20 0 DFADHM COc1ccccc1CC[N-]S(=O)(=O)c1cc(C)cs1 ZINC000450985925 429744419 /nfs/dbraw/zinc/74/44/19/429744419.db2.gz MHAWEGBQVSDBIM-UHFFFAOYSA-N -1 3 311.428 2.586 20 0 DFADHM O=C(c1cccc([O-])c1)N1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000431151128 429745135 /nfs/dbraw/zinc/74/51/35/429745135.db2.gz NKNMRKWTMSUSBD-AWEZNQCLSA-N -1 3 311.385 2.555 20 0 DFADHM C[C@H](NC(=O)c1cccc2nn[n-]c21)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000527356692 429745315 /nfs/dbraw/zinc/74/53/15/429745315.db2.gz LEZOOEXFVYVHII-PSVSLLHZSA-N -1 3 322.368 2.641 20 0 DFADHM C[C@H](NC(=O)c1cccc2[n-]nnc21)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000527356692 429745319 /nfs/dbraw/zinc/74/53/19/429745319.db2.gz LEZOOEXFVYVHII-PSVSLLHZSA-N -1 3 322.368 2.641 20 0 DFADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000527356692 429745322 /nfs/dbraw/zinc/74/53/22/429745322.db2.gz LEZOOEXFVYVHII-PSVSLLHZSA-N -1 3 322.368 2.641 20 0 DFADHM CCN(C(=O)Cc1ccc(Br)cc1[O-])C(C)C ZINC000432028112 429795728 /nfs/dbraw/zinc/79/57/28/429795728.db2.gz UIJRVDRRBXKQJW-UHFFFAOYSA-N -1 3 300.196 2.954 20 0 DFADHM CCOc1nc2cc(C(=O)NCC3(SC)CCC3)ccc2[n-]1 ZINC000451268258 429799262 /nfs/dbraw/zinc/79/92/62/429799262.db2.gz LFHDHGGBIGSLRM-UHFFFAOYSA-N -1 3 319.430 2.977 20 0 DFADHM CCOc1nc2ccc(C(=O)NCC3(SC)CCC3)cc2[n-]1 ZINC000451268258 429799265 /nfs/dbraw/zinc/79/92/65/429799265.db2.gz LFHDHGGBIGSLRM-UHFFFAOYSA-N -1 3 319.430 2.977 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@H]1COc1ccccc1 ZINC000493642717 429800860 /nfs/dbraw/zinc/80/08/60/429800860.db2.gz LMNLJTPDYRWSSG-QWGSZXSUSA-N -1 3 324.380 2.870 20 0 DFADHM O=C(Nc1cccc([O-])c1F)c1cccc(C(=O)NC2CC2)c1 ZINC000527383112 429747274 /nfs/dbraw/zinc/74/72/74/429747274.db2.gz JXXBNBFGMCCFBE-UHFFFAOYSA-N -1 3 314.316 2.676 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000368197994 429806912 /nfs/dbraw/zinc/80/69/12/429806912.db2.gz BLLSEZPWIAKQPS-CABCVRRESA-N -1 3 315.413 2.770 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NCC(F)(F)c1ccccc1 ZINC000493399202 429753782 /nfs/dbraw/zinc/75/37/82/429753782.db2.gz HOMFEHKVBUCXPU-SREVYHEPSA-N -1 3 304.296 2.709 20 0 DFADHM COc1nnc(NC(=O)C2(c3ccccc3C)CCCC2)[n-]1 ZINC000486950987 429755657 /nfs/dbraw/zinc/75/56/57/429755657.db2.gz OJFNMJGUVUKXFI-UHFFFAOYSA-N -1 3 300.362 2.572 20 0 DFADHM COc1nc(NC(=O)C2(c3ccccc3C)CCCC2)n[n-]1 ZINC000486950987 429755661 /nfs/dbraw/zinc/75/56/61/429755661.db2.gz OJFNMJGUVUKXFI-UHFFFAOYSA-N -1 3 300.362 2.572 20 0 DFADHM COc1n[n-]c(NC(=O)C2(c3ccccc3C)CCCC2)n1 ZINC000486950987 429755665 /nfs/dbraw/zinc/75/56/65/429755665.db2.gz OJFNMJGUVUKXFI-UHFFFAOYSA-N -1 3 300.362 2.572 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@H]2C)c1 ZINC000451049837 429755913 /nfs/dbraw/zinc/75/59/13/429755913.db2.gz KWWOBXRGZZVIPE-OLZOCXBDSA-N -1 3 316.492 2.598 20 0 DFADHM CCc1cc(C(=O)N[C@H](CCOC)Cc2ccco2)ccc1[O-] ZINC000487013769 429760041 /nfs/dbraw/zinc/76/00/41/429760041.db2.gz SLWUHLJVAGATCD-OAHLLOKOSA-N -1 3 317.385 2.925 20 0 DFADHM Cc1nc2ccc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc2s1 ZINC000451070059 429761285 /nfs/dbraw/zinc/76/12/85/429761285.db2.gz NOCOEDOUYVHHLA-ZETCQYMHSA-N -1 3 320.386 2.927 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccc2ncccc21)C(C)(F)F ZINC000451069772 429761382 /nfs/dbraw/zinc/76/13/82/429761382.db2.gz GBDXQKLSGBSTDD-VIFPVBQESA-N -1 3 300.330 2.557 20 0 DFADHM CCc1cc(C(=O)Nc2ccc(OCCO)c(C)c2)ccc1[O-] ZINC000487032494 429761510 /nfs/dbraw/zinc/76/15/10/429761510.db2.gz BNRUSWZUTREWOA-UHFFFAOYSA-N -1 3 315.369 2.886 20 0 DFADHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ccc(C)cc1C ZINC000451079960 429764778 /nfs/dbraw/zinc/76/47/78/429764778.db2.gz IHZIERMWMAMGFO-UHFFFAOYSA-N -1 3 320.414 2.576 20 0 DFADHM CCC(=O)c1cccc(S(=O)(=O)[N-][C@@H](CC)C(F)F)c1 ZINC000451086943 429766638 /nfs/dbraw/zinc/76/66/38/429766638.db2.gz WDBTVSPGWDLWAD-NSHDSACASA-N -1 3 305.346 2.601 20 0 DFADHM O=C(C=Cc1cncc([O-])c1)Nc1c[nH]nc1-c1ccccc1F ZINC000493456866 429766854 /nfs/dbraw/zinc/76/68/54/429766854.db2.gz SRMIRQVKWDTTLM-AATRIKPKSA-N -1 3 324.315 2.968 20 0 DFADHM CC[C@@H](C)c1nnc([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)[nH]1 ZINC000451159963 429776973 /nfs/dbraw/zinc/77/69/73/429776973.db2.gz FEALMSSAEIOZBG-ZJUUUORDSA-N -1 3 320.368 2.583 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@@]2(CCSC2)C1 ZINC000493524828 429779359 /nfs/dbraw/zinc/77/93/59/429779359.db2.gz QDCVEFIBTKKGDW-RXYHWBRQSA-N -1 3 304.415 2.546 20 0 DFADHM O=C(N[C@@H](CCO)c1ccccc1)c1cc([O-])ccc1Cl ZINC000431860606 429786827 /nfs/dbraw/zinc/78/68/27/429786827.db2.gz VZWYZTAFHAFPEV-HNNXBMFYSA-N -1 3 305.761 2.899 20 0 DFADHM CCO[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000451226994 429791512 /nfs/dbraw/zinc/79/15/12/429791512.db2.gz KIFDFTFVPIXGNA-KRWDZBQOSA-N -1 3 317.360 2.968 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCCc2ccc(O)cc2)c1 ZINC000451234647 429792202 /nfs/dbraw/zinc/79/22/02/429792202.db2.gz LTSBGTJCWFMWPU-UHFFFAOYSA-N -1 3 311.428 2.673 20 0 DFADHM [O-]c1cccc(CN[C@@]2(CO)COc3ccccc3C2)c1Cl ZINC000527769128 429795510 /nfs/dbraw/zinc/79/55/10/429795510.db2.gz JNLPZRXOXMLFBN-KRWDZBQOSA-N -1 3 319.788 2.501 20 0 DFADHM C[C@@H](N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)(C)O ZINC000451357280 429815977 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ZINC000368401097 429843396 /nfs/dbraw/zinc/84/33/96/429843396.db2.gz XOXXQOLBUHZDGT-VOTSOKGWSA-N -1 3 324.380 2.664 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2N(C)C)c[n-]1 ZINC000432841340 429844497 /nfs/dbraw/zinc/84/44/97/429844497.db2.gz PXGNMPOTOABKSP-UHFFFAOYSA-N -1 3 321.764 2.773 20 0 DFADHM O=c1cc(CN2CCCO[C@H]3CCC[C@@H]32)c2ccc([O-])cc2o1 ZINC000368460901 429852443 /nfs/dbraw/zinc/85/24/43/429852443.db2.gz DGNUJQCJIFJTDX-HOTGVXAUSA-N -1 3 315.369 2.642 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)n[n-]1 ZINC000528136945 429853318 /nfs/dbraw/zinc/85/33/18/429853318.db2.gz DLYGMMZEMBNXMG-OWYVNGRQSA-N -1 3 312.373 2.711 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H]2COc3c(C)cccc3C2)c1 ZINC000451570208 429856517 /nfs/dbraw/zinc/85/65/17/429856517.db2.gz SLHUIOPCXWMZFD-CYBMUJFWSA-N -1 3 323.439 2.647 20 0 DFADHM Cc1ccc(C2(C[N-]S(=O)(=O)c3ccco3)CC2)c(C)c1 ZINC000451638765 429865308 /nfs/dbraw/zinc/86/53/08/429865308.db2.gz FSGJRLDCENSGAU-UHFFFAOYSA-N -1 3 305.399 2.907 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C2CC(C)(F)C2)c1 ZINC000451631928 429865341 /nfs/dbraw/zinc/86/53/41/429865341.db2.gz MZXWEIJSFBTLEZ-UHFFFAOYSA-N -1 3 307.774 2.518 20 0 DFADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)[N-]OC1CCCC1 ZINC000494506735 429877695 /nfs/dbraw/zinc/87/76/95/429877695.db2.gz UPYUIJZSOAWVCU-CHWSQXEVSA-N -1 3 312.410 2.670 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCCC(F)(F)C1 ZINC000494547522 429878449 /nfs/dbraw/zinc/87/84/49/429878449.db2.gz KFFZAHQUCWAMEJ-JTQLQIEISA-N -1 3 302.296 2.908 20 0 DFADHM O=S(=O)([N-]CC1CC=CC1)c1ccccc1C(F)(F)F ZINC000528471765 429890943 /nfs/dbraw/zinc/89/09/43/429890943.db2.gz RVFXWTDFUULGHP-UHFFFAOYSA-N -1 3 305.321 2.950 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@]23C[C@@H]2COC3(C)C)sc1Cl ZINC000528493267 429893651 /nfs/dbraw/zinc/89/36/51/429893651.db2.gz OMMSCHXAEYSOIB-PELKAZGASA-N -1 3 321.851 2.556 20 0 DFADHM O=S(=O)([N-][C@H](c1ccccn1)C1CCCC1)c1ccco1 ZINC000368919110 429901827 /nfs/dbraw/zinc/90/18/27/429901827.db2.gz MGQLWGPQDNNVNX-HNNXBMFYSA-N -1 3 306.387 2.884 20 0 DFADHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)OC ZINC000451671819 429870500 /nfs/dbraw/zinc/87/05/00/429870500.db2.gz GUPKERAFFHYXBD-SKDRFNHKSA-N -1 3 323.817 2.819 20 0 DFADHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000451694680 429872371 /nfs/dbraw/zinc/87/23/71/429872371.db2.gz CHUSBSSYEFPURO-LLVKDONJSA-N -1 3 324.229 2.839 20 0 DFADHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000451698443 429872883 /nfs/dbraw/zinc/87/28/83/429872883.db2.gz SJIMZTVVBFVVPH-NSHDSACASA-N -1 3 324.229 2.839 20 0 DFADHM CC(=O)c1cccc(NC(=O)C2(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000573498575 429958512 /nfs/dbraw/zinc/95/85/12/429958512.db2.gz JNTKATZFVBRNLW-UHFFFAOYSA-N -1 3 319.357 2.655 20 0 DFADHM Cc1nc(C)c(CC(=O)Nc2ccc(C3CCC3)cn2)c(=O)[n-]1 ZINC000557942817 429959431 /nfs/dbraw/zinc/95/94/31/429959431.db2.gz HMRFKARNQIBSFK-UHFFFAOYSA-N -1 3 312.373 2.643 20 0 DFADHM COc1ccc(-c2nc(CN3CC[C@@](C)(C(=O)[O-])C3)co2)cc1 ZINC000573571782 429963775 /nfs/dbraw/zinc/96/37/75/429963775.db2.gz FAEPIMBQRPGNCF-QGZVFWFLSA-N -1 3 316.357 2.647 20 0 DFADHM CC[C@@H](C)CCCCC(=O)N1CC[C@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000630724313 429967516 /nfs/dbraw/zinc/96/75/16/429967516.db2.gz SQIQSAOGVJRCIX-OLZOCXBDSA-N -1 3 320.437 2.687 20 0 DFADHM CC1(C)COc2cc(NC([O-])=NO[C@@H]3CCCCO3)ccc21 ZINC000529154272 429969232 /nfs/dbraw/zinc/96/92/32/429969232.db2.gz VQZGWLWOIYLFBS-CQSZACIVSA-N -1 3 306.362 2.936 20 0 DFADHM CC1(C)COc2cc(NC(=O)[N-]O[C@@H]3CCCCO3)ccc21 ZINC000529154272 429969236 /nfs/dbraw/zinc/96/92/36/429969236.db2.gz VQZGWLWOIYLFBS-CQSZACIVSA-N -1 3 306.362 2.936 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)Nc3cnn(C(C)C)c3)c(=O)c2c1 ZINC000558504578 429975599 /nfs/dbraw/zinc/97/55/99/429975599.db2.gz FYUMJJDCYGIUEF-UHFFFAOYSA-N -1 3 310.357 2.866 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CC[C@@](F)(c3ccccc3)C2)n1 ZINC000573700134 429975609 /nfs/dbraw/zinc/97/56/09/429975609.db2.gz BYGFUZSXYYEYIK-KRWDZBQOSA-N -1 3 301.365 2.815 20 0 DFADHM 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BEUBYUZIIRNJKF-JTQLQIEISA-N -1 3 317.389 2.716 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCOC2)ccc1[O-] ZINC000574454813 430044211 /nfs/dbraw/zinc/04/42/11/430044211.db2.gz MWUGBKNVXVJNJZ-JKSUJKDBSA-N -1 3 303.402 2.986 20 0 DFADHM COc1cnc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)s1 ZINC000560461339 430044905 /nfs/dbraw/zinc/04/49/05/430044905.db2.gz UKKKWIONTPYFDH-UHFFFAOYSA-N -1 3 318.333 2.933 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]CC2CC(c3ccccc3)C2)s1 ZINC000558784195 429990665 /nfs/dbraw/zinc/99/06/65/429990665.db2.gz GEHNIBROEMPHCT-UHFFFAOYSA-N -1 3 322.455 2.924 20 0 DFADHM COc1ccc([O-])c(C(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000558816468 429991879 /nfs/dbraw/zinc/99/18/79/429991879.db2.gz MPRRLFXPNKGHSG-CLLJXQQHSA-N -1 3 307.390 2.724 20 0 DFADHM CC(=O)[C@@H](C)CCCCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000558891645 429993249 /nfs/dbraw/zinc/99/32/49/429993249.db2.gz CDLLMKUBVXQYRP-JTQLQIEISA-N -1 3 313.361 2.946 20 0 DFADHM O=C(c1cc(F)c([O-])c(F)c1)N1CCCN(CC2CCC2)CC1 ZINC000559256822 430001839 /nfs/dbraw/zinc/00/18/39/430001839.db2.gz NJIJZEZQCITGSO-UHFFFAOYSA-N -1 3 324.371 2.618 20 0 DFADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000529470930 430011599 /nfs/dbraw/zinc/01/15/99/430011599.db2.gz YSLYJQLPFRPXII-PVTKRXDGSA-N -1 3 314.385 2.616 20 0 DFADHM CCc1cccc(C(=O)N2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1[O-] ZINC000634489368 430016850 /nfs/dbraw/zinc/01/68/50/430016850.db2.gz PMWZNMKDONMXAJ-BMFZPTHFSA-N -1 3 303.402 2.720 20 0 DFADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H](F)C1 ZINC000529514217 430018091 /nfs/dbraw/zinc/01/80/91/430018091.db2.gz PVNLJWRFOKLBEZ-SNVBAGLBSA-N -1 3 302.143 2.729 20 0 DFADHM CCOc1cc(C(=O)Nc2cccc(C3CCOCC3)c2)n[n-]1 ZINC000529934476 430088756 /nfs/dbraw/zinc/08/87/56/430088756.db2.gz IWCNWLUWFNDSSZ-UHFFFAOYSA-N -1 3 315.373 2.955 20 0 DFADHM CCOc1cc(C(=O)Nc2cccc(C3CCOCC3)c2)[n-]n1 ZINC000529934476 430088760 /nfs/dbraw/zinc/08/87/60/430088760.db2.gz IWCNWLUWFNDSSZ-UHFFFAOYSA-N -1 3 315.373 2.955 20 0 DFADHM Cn1nc(C2CCCC2)cc1NC(=O)c1cc(C(F)F)[n-]n1 ZINC000640108703 430089668 /nfs/dbraw/zinc/08/96/68/430089668.db2.gz HPEJUCZYJOCCSZ-UHFFFAOYSA-N -1 3 309.320 2.991 20 0 DFADHM CCCN1CCC[C@H]1CN=c1nc(-c2ccccc2)[n-]s1 ZINC000561446763 430091962 /nfs/dbraw/zinc/09/19/62/430091962.db2.gz FFZHPPBSZGPFQK-AWEZNQCLSA-N -1 3 302.447 2.913 20 0 DFADHM Cn1ncc(NC(=O)c2cccc3nn[n-]c32)c1-c1ccccc1 ZINC000561796282 430100640 /nfs/dbraw/zinc/10/06/40/430100640.db2.gz GDDPEWKCOJWFRN-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ncc(NC(=O)c2cccc3[n-]nnc32)c1-c1ccccc1 ZINC000561796282 430100644 /nfs/dbraw/zinc/10/06/44/430100644.db2.gz GDDPEWKCOJWFRN-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ncc(NC(=O)c2cccc3n[n-]nc32)c1-c1ccccc1 ZINC000561796282 430100648 /nfs/dbraw/zinc/10/06/48/430100648.db2.gz GDDPEWKCOJWFRN-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM C[C@@H]1CN(Cc2cnc(C(=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000530163810 430101764 /nfs/dbraw/zinc/10/17/64/430101764.db2.gz QVROOQRHLBTZSF-CJNGLKHVSA-N -1 3 311.385 2.800 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)C[C@@H]2CCCC(=O)N2)c([O-])c1 ZINC000561990799 430104917 /nfs/dbraw/zinc/10/49/17/430104917.db2.gz QRYNTQOLLBNVPY-LBPRGKRZSA-N -1 3 304.390 2.687 20 0 DFADHM O=C(CSc1nncs1)Nc1c([O-])cccc1Cl ZINC000562054219 430106769 /nfs/dbraw/zinc/10/67/69/430106769.db2.gz KRFYYSDDBZJJIQ-UHFFFAOYSA-N -1 3 301.780 2.628 20 0 DFADHM CCOc1nc2ccc(C(=O)N(C)OCC(F)(F)F)cc2[n-]1 ZINC000530259410 430108616 /nfs/dbraw/zinc/10/86/16/430108616.db2.gz YGRNSEFGCFRVJW-UHFFFAOYSA-N -1 3 317.267 2.528 20 0 DFADHM CCOc1nc2cc(C(=O)N(C)OCC(F)(F)F)ccc2[n-]1 ZINC000530259410 430108617 /nfs/dbraw/zinc/10/86/17/430108617.db2.gz YGRNSEFGCFRVJW-UHFFFAOYSA-N -1 3 317.267 2.528 20 0 DFADHM CSc1ccc([N-]S(=O)(=O)CCOCC2CCC2)cc1 ZINC000634785400 430112516 /nfs/dbraw/zinc/11/25/16/430112516.db2.gz JGTPWACIGQBRPW-UHFFFAOYSA-N -1 3 315.460 2.967 20 0 DFADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cccc(C(C)=O)c2[O-])C1 ZINC000560549298 430055587 /nfs/dbraw/zinc/05/55/87/430055587.db2.gz CHAZCXGATDGWBP-VXGBXAGGSA-N -1 3 319.357 2.513 20 0 DFADHM Cc1[n-]n([C@H](C)CCc2ccc3c(c2)OCO3)c(=O)c1C1CC1 ZINC000634627149 430058068 /nfs/dbraw/zinc/05/80/68/430058068.db2.gz WKNKTXRXAUCMDH-PIGZYNQJSA-N -1 3 314.385 2.981 20 0 DFADHM C[C@@H]1CCN(CCNC(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000560635595 430061139 /nfs/dbraw/zinc/06/11/39/430061139.db2.gz PKPHYWULLQQZQA-SECBINFHSA-N -1 3 317.216 2.771 20 0 DFADHM O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc([O-])c(F)c1 ZINC000529719488 430061495 /nfs/dbraw/zinc/06/14/95/430061495.db2.gz OABXBPSBUDAMBQ-AWEZNQCLSA-N -1 3 306.381 2.668 20 0 DFADHM O=C(Cc1ccc2c(c1)OCCO2)Nc1c([O-])cccc1Cl ZINC000560824264 430068352 /nfs/dbraw/zinc/06/83/52/430068352.db2.gz XCHWDIIIBDBEOB-UHFFFAOYSA-N -1 3 319.744 2.998 20 0 DFADHM O=C(N[C@@H](c1ccccn1)C1CCC1)c1ccc2n[n-]nc2c1 ZINC000529824453 430072276 /nfs/dbraw/zinc/07/22/76/430072276.db2.gz DXDZXVAAUCQANP-MRXNPFEDSA-N -1 3 307.357 2.624 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1C1CC1 ZINC000561100037 430075349 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O=C(Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cc(C(F)F)[n-]n1 ZINC000640404037 430161717 /nfs/dbraw/zinc/16/17/17/430161717.db2.gz WAYCOLQIGLPKBC-JTQLQIEISA-N -1 3 320.299 2.551 20 0 DFADHM C[C@@H](C[N-]S(=O)(=O)c1cscn1)c1ccc(F)cc1F ZINC000581009499 430170411 /nfs/dbraw/zinc/17/04/11/430170411.db2.gz WONWZGQCFOVQHF-QMMMGPOBSA-N -1 3 318.370 2.503 20 0 DFADHM CCC[C@H](C)S(=O)(=O)[N-]c1cc(C(=O)NCC)sc1C ZINC000634796910 430115911 /nfs/dbraw/zinc/11/59/11/430115911.db2.gz LAYURQFRHJQRHB-VIFPVBQESA-N -1 3 318.464 2.737 20 0 DFADHM CCC[C@@H](C)S(=O)(=O)[N-]c1cc(C(=O)NCC)sc1C ZINC000634796909 430116238 /nfs/dbraw/zinc/11/62/38/430116238.db2.gz LAYURQFRHJQRHB-SECBINFHSA-N -1 3 318.464 2.737 20 0 DFADHM CC1(C)Cc2cccc(NC(=O)c3ccc4n[n-]nc4c3)c2O1 ZINC000530459104 430116561 /nfs/dbraw/zinc/11/65/61/430116561.db2.gz SQOCDPNUXDIZOY-UHFFFAOYSA-N -1 3 308.341 2.924 20 0 DFADHM CN(Cc1ccc(Cl)s1)C(=O)c1cccc2[n-]nnc21 ZINC000562446699 430132536 /nfs/dbraw/zinc/13/25/36/430132536.db2.gz QEBJHQJBFRYKIN-UHFFFAOYSA-N -1 3 306.778 2.945 20 0 DFADHM CN(Cc1ccc(Cl)s1)C(=O)c1cccc2nn[n-]c21 ZINC000562446699 430132541 /nfs/dbraw/zinc/13/25/41/430132541.db2.gz QEBJHQJBFRYKIN-UHFFFAOYSA-N -1 3 306.778 2.945 20 0 DFADHM CN(Cc1ccc(Cl)s1)C(=O)c1cccc2n[n-]nc21 ZINC000562446699 430132546 /nfs/dbraw/zinc/13/25/46/430132546.db2.gz QEBJHQJBFRYKIN-UHFFFAOYSA-N -1 3 306.778 2.945 20 0 DFADHM O=C(CC1(C(=O)[O-])CCCC1)NC[C@@H]1CCN1C1CCCCC1 ZINC000634848576 430132839 /nfs/dbraw/zinc/13/28/39/430132839.db2.gz HEQUDLSWJHGSFY-HNNXBMFYSA-N -1 3 322.449 2.545 20 0 DFADHM CCC(CC)(CC(=O)NC[C@H]1CCN1C1CCCCC1)C(=O)[O-] ZINC000634849042 430134121 /nfs/dbraw/zinc/13/41/21/430134121.db2.gz RXOQNLHADZVVIO-OAHLLOKOSA-N -1 3 324.465 2.791 20 0 DFADHM CCOc1ccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000580647077 430143062 /nfs/dbraw/zinc/14/30/62/430143062.db2.gz NHROILTYZGLYDT-GXTWGEPZSA-N -1 3 307.390 2.637 20 0 DFADHM O=C([O-])c1cc(F)ccc1CN1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000580652235 430143234 /nfs/dbraw/zinc/14/32/34/430143234.db2.gz DQFLGWFVAPHELW-CABCVRRESA-N -1 3 305.349 2.525 20 0 DFADHM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000580724890 430147177 /nfs/dbraw/zinc/14/71/77/430147177.db2.gz LMTDAXANMWKCIP-IUODEOHRSA-N -1 3 303.406 2.812 20 0 DFADHM CCn1c(C[N-]c2nnc(-c3ccco3)o2)nc2ccccc21 ZINC000540806886 430181562 /nfs/dbraw/zinc/18/15/62/430181562.db2.gz AUWKBOMOZCCHMY-UHFFFAOYSA-N -1 3 309.329 3.311 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](CC3CC3)C2)c1 ZINC000581135925 430180965 /nfs/dbraw/zinc/18/09/65/430180965.db2.gz SEQGOTHYLYCNAP-CYBMUJFWSA-N -1 3 302.374 2.613 20 0 DFADHM CCCCN(C)C[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000581213717 430188828 /nfs/dbraw/zinc/18/88/28/430188828.db2.gz TXJVTDJQAAFCKW-ZDUSSCGKSA-N -1 3 324.446 2.832 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)c2cccc3nn[n-]c32)C1(CC)CC ZINC000541891546 430195808 /nfs/dbraw/zinc/19/58/08/430195808.db2.gz BWXPRXXUAHGPOA-KGLIPLIRSA-N -1 3 316.405 2.672 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)c2cccc3[n-]nnc32)C1(CC)CC ZINC000541891546 430195812 /nfs/dbraw/zinc/19/58/12/430195812.db2.gz BWXPRXXUAHGPOA-KGLIPLIRSA-N -1 3 316.405 2.672 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc32)C1(CC)CC ZINC000541891546 430195816 /nfs/dbraw/zinc/19/58/16/430195816.db2.gz BWXPRXXUAHGPOA-KGLIPLIRSA-N -1 3 316.405 2.672 20 0 DFADHM COCC1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000640556862 430196486 /nfs/dbraw/zinc/19/64/86/430196486.db2.gz HPYMGSDVOJCJPI-UHFFFAOYSA-N -1 3 311.381 2.701 20 0 DFADHM C[C@@H](c1ccccc1Cl)N1CCN([C@H](C(=O)[O-])C2CC2)CC1 ZINC000635016730 430198916 /nfs/dbraw/zinc/19/89/16/430198916.db2.gz OJMXWIQAFIWLMH-LRDDRELGSA-N -1 3 322.836 2.882 20 0 DFADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000581554088 430218514 /nfs/dbraw/zinc/21/85/14/430218514.db2.gz RTJNSJOAKFSCSH-KKUMJFAQSA-N -1 3 321.804 2.967 20 0 DFADHM O=C([O-])c1ccc(CN2CC[C@@H](C3CCOCC3)C2)c(F)c1 ZINC000565485267 430213164 /nfs/dbraw/zinc/21/31/64/430213164.db2.gz BSOSOZGTCNNRIR-CQSZACIVSA-N -1 3 307.365 2.772 20 0 DFADHM Cc1cc([C@H](C)[N-]S(=O)(=O)c2cscn2)c(C)s1 ZINC000566161456 430245510 /nfs/dbraw/zinc/24/55/10/430245510.db2.gz CBQYTJFBUCMYEL-QMMMGPOBSA-N -1 3 302.446 2.861 20 0 DFADHM O=c1cc(CSCc2nc(C3CC3)no2)nc(C2CC2)[n-]1 ZINC000581874645 430247336 /nfs/dbraw/zinc/24/73/36/430247336.db2.gz BTVZGZPVNNZGHU-UHFFFAOYSA-N -1 3 304.375 2.753 20 0 DFADHM C[C@@H]1CCN(Cc2c[nH]nc2-c2ccccc2F)C[C@@H]1C(=O)[O-] ZINC000566228119 430249535 /nfs/dbraw/zinc/24/95/35/430249535.db2.gz WBRJLFKWZIMHMP-RISCZKNCSA-N -1 3 317.364 2.758 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN1CCC[C@H](Cc2ccccc2)C1 ZINC000635301735 430249941 /nfs/dbraw/zinc/24/99/41/430249941.db2.gz OROZVYDAYCCKRB-OAHLLOKOSA-N -1 3 313.401 2.573 20 0 DFADHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])nn2C)CC12CCCCC2 ZINC000635308578 430250487 /nfs/dbraw/zinc/25/04/87/430250487.db2.gz OMSRRCNIUNVTET-CYBMUJFWSA-N -1 3 305.422 2.911 20 0 DFADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cc(C(=O)[O-])nn1C ZINC000635310110 430251508 /nfs/dbraw/zinc/25/15/08/430251508.db2.gz YYIDNHSJSQKATH-QLJPJBMISA-N -1 3 317.364 2.671 20 0 DFADHM CCn1cc([C@@H]2OCCC[C@H]2C(=O)Nc2ccccc2[O-])cn1 ZINC000581930484 430252428 /nfs/dbraw/zinc/25/24/28/430252428.db2.gz UGVNSXDEKKZZAL-CJNGLKHVSA-N -1 3 315.373 2.715 20 0 DFADHM CC(C)(C)n1cnc([N-]C(=O)c2cnccc2C(F)(F)F)n1 ZINC000581951867 430254427 /nfs/dbraw/zinc/25/44/27/430254427.db2.gz PSAXIKHAABHLFW-UHFFFAOYSA-N -1 3 313.283 2.699 20 0 DFADHM CC(C)CN(CCC(=O)[O-])Cc1nccn1-c1ccccc1 ZINC000566362620 430256104 /nfs/dbraw/zinc/25/61/04/430256104.db2.gz BZYBANWFVWKABY-UHFFFAOYSA-N -1 3 301.390 2.805 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000582004447 430257287 /nfs/dbraw/zinc/25/72/87/430257287.db2.gz QKYXRKONMDYCMQ-GFCCVEGCSA-N -1 3 305.378 2.970 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000582004447 430257290 /nfs/dbraw/zinc/25/72/90/430257290.db2.gz QKYXRKONMDYCMQ-GFCCVEGCSA-N -1 3 305.378 2.970 20 0 DFADHM Cc1oc(CN(C)CCCCCn2cccn2)cc1C(=O)[O-] ZINC000582008438 430260526 /nfs/dbraw/zinc/26/05/26/430260526.db2.gz NFPKOAUXGFYPQZ-UHFFFAOYSA-N -1 3 305.378 2.785 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2ccc(CSC)cc2)n[n-]1 ZINC000543760928 430261902 /nfs/dbraw/zinc/26/19/02/430261902.db2.gz HLSLQXKNLJODHN-UHFFFAOYSA-N -1 3 319.386 2.702 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2ccc(CSC)cc2)[n-]n1 ZINC000543760928 430261905 /nfs/dbraw/zinc/26/19/05/430261905.db2.gz HLSLQXKNLJODHN-UHFFFAOYSA-N -1 3 319.386 2.702 20 0 DFADHM Cn1nc(C2CCCCC2)cc1NC(=O)Cc1cncc([O-])c1 ZINC000566469694 430264615 /nfs/dbraw/zinc/26/46/15/430264615.db2.gz IXCNIPABRVTKMU-UHFFFAOYSA-N -1 3 314.389 2.750 20 0 DFADHM Cc1ncc(CNc2ncnc3sc4c(c32)CCC4)c(=O)[n-]1 ZINC000544124267 430273477 /nfs/dbraw/zinc/27/34/77/430273477.db2.gz VGKPWUPBUBFUDX-UHFFFAOYSA-N -1 3 313.386 2.596 20 0 DFADHM CC(C)=CC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000544371152 430279108 /nfs/dbraw/zinc/27/91/08/430279108.db2.gz MRHSELVBJQBGQV-UHFFFAOYSA-N -1 3 322.199 2.833 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3C[C@H](C)S[C@@H](C)C3)c(=O)c2c1 ZINC000544390055 430280517 /nfs/dbraw/zinc/28/05/17/430280517.db2.gz DUIHBTWWNXNKGJ-RYUDHWBXSA-N -1 3 316.426 2.803 20 0 DFADHM CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000582306615 430289668 /nfs/dbraw/zinc/28/96/68/430289668.db2.gz WLNKMCAQVLSALD-UONOGXRCSA-N -1 3 318.417 2.512 20 0 DFADHM O=c1cc(-c2nc(Cc3cccc(F)c3)no2)nc(C2CC2)[n-]1 ZINC000635528567 430298373 /nfs/dbraw/zinc/29/83/73/430298373.db2.gz PTTWYCYJXGGTBD-UHFFFAOYSA-N -1 3 312.304 2.840 20 0 DFADHM [O-]c1cccnc1CN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000582428694 430298599 /nfs/dbraw/zinc/29/85/99/430298599.db2.gz WQPYTLYEOCRGOS-HNNXBMFYSA-N -1 3 321.384 2.909 20 0 DFADHM [O-]c1cccnc1CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000582428694 430298604 /nfs/dbraw/zinc/29/86/04/430298604.db2.gz WQPYTLYEOCRGOS-HNNXBMFYSA-N -1 3 321.384 2.909 20 0 DFADHM C[C@@H]1CCN(CCOc2ccc(F)cc2Cl)C[C@H]1C(=O)[O-] ZINC000567988473 430302200 /nfs/dbraw/zinc/30/22/00/430302200.db2.gz FUSRMUBJJHPBPA-ZYHUDNBSSA-N -1 3 315.772 2.901 20 0 DFADHM CN(C[C@@H]1CCCO1)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000568062844 430310375 /nfs/dbraw/zinc/31/03/75/430310375.db2.gz RUOLYRLCRUXWQO-GWCFXTLKSA-N -1 3 317.307 2.942 20 0 DFADHM Cc1nc(C)c(Cc2nc(C3Cc4ccccc4C3)no2)c(=O)[n-]1 ZINC000546380505 430350668 /nfs/dbraw/zinc/35/06/68/430350668.db2.gz XIBIAIHVSUTFKT-UHFFFAOYSA-N -1 3 322.368 2.655 20 0 DFADHM COc1cccc([C@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000582555348 430311569 /nfs/dbraw/zinc/31/15/69/430311569.db2.gz LTTJNNULTJTCLG-JTQLQIEISA-N -1 3 313.357 2.559 20 0 DFADHM O=C([O-])C1(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000568067246 430312865 /nfs/dbraw/zinc/31/28/65/430312865.db2.gz POEVJWWZIPGUDS-ZDUSSCGKSA-N -1 3 305.349 2.585 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3COCC3(C)C)nc2)n1 ZINC000582587381 430313344 /nfs/dbraw/zinc/31/33/44/430313344.db2.gz MTMKYSDXNPALAN-CYBMUJFWSA-N -1 3 314.389 2.644 20 0 DFADHM O=C([O-])C1(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000568067245 430313477 /nfs/dbraw/zinc/31/34/77/430313477.db2.gz POEVJWWZIPGUDS-CYBMUJFWSA-N -1 3 305.349 2.585 20 0 DFADHM COc1ccc([C@H](NC(=O)c2csc(=O)[n-]2)C2CC2)cc1 ZINC000545309785 430314449 /nfs/dbraw/zinc/31/44/49/430314449.db2.gz GLCAWKDXOHUBGM-CYBMUJFWSA-N -1 3 304.371 2.738 20 0 DFADHM C[C@H]1CCN(Cc2nc3cc(Cl)ccc3n2C)[C@@H](C(=O)[O-])C1 ZINC000582731912 430328019 /nfs/dbraw/zinc/32/80/19/430328019.db2.gz JGQLYCMBEORHNN-IINYFYTJSA-N -1 3 321.808 2.912 20 0 DFADHM CC(C)OCc1cccc(NC(=O)Cc2cncc([O-])c2)c1 ZINC000568231959 430336890 /nfs/dbraw/zinc/33/68/90/430336890.db2.gz AOTVFMXOTCZMSZ-UHFFFAOYSA-N -1 3 300.358 2.893 20 0 DFADHM C[C@]1(c2ccc(F)cc2)CCN(C(=O)Cc2cncc([O-])c2)C1 ZINC000568233363 430337335 /nfs/dbraw/zinc/33/73/35/430337335.db2.gz MJNLIDRYFFECIV-SFHVURJKSA-N -1 3 314.360 2.659 20 0 DFADHM O=C(NCC1([C@@H]2CCCCO2)CCC1)c1c([O-])cccc1O ZINC000641130125 430337949 /nfs/dbraw/zinc/33/79/49/430337949.db2.gz OOKOOASCCSASSI-AWEZNQCLSA-N -1 3 305.374 2.567 20 0 DFADHM CC(C)(C)CCS(=O)(=O)[N-]CC(=O)c1ccccc1Cl ZINC000546626208 430359683 /nfs/dbraw/zinc/35/96/83/430359683.db2.gz BEVKXNCUBUVGPS-UHFFFAOYSA-N -1 3 317.838 2.878 20 0 DFADHM Fc1ccc(/C=C\CNC2(c3nn[n-]n3)CCCC2)c(F)c1 ZINC000546741874 430367507 /nfs/dbraw/zinc/36/75/07/430367507.db2.gz XLJWOCGQHJLWJC-ARJAWSKDSA-N -1 3 305.332 2.550 20 0 DFADHM Fc1ccc(/C=C\CNC2(c3nnn[n-]3)CCCC2)c(F)c1 ZINC000546741874 430367513 /nfs/dbraw/zinc/36/75/13/430367513.db2.gz XLJWOCGQHJLWJC-ARJAWSKDSA-N -1 3 305.332 2.550 20 0 DFADHM C[C@H]1CCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000641243266 430368048 /nfs/dbraw/zinc/36/80/48/430368048.db2.gz PLCLDEOVZKDTLJ-QMMMGPOBSA-N -1 3 321.174 2.525 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCCO1)c1ccc2ccccc2c1F ZINC000583150273 430368339 /nfs/dbraw/zinc/36/83/39/430368339.db2.gz CMVNKRAYJOGXLA-CYBMUJFWSA-N -1 3 323.389 2.826 20 0 DFADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc2n[nH]cc2c1 ZINC000583367260 430388331 /nfs/dbraw/zinc/38/83/31/430388331.db2.gz BUUKUYCRPZLFTC-SNVBAGLBSA-N -1 3 309.373 2.787 20 0 DFADHM CC(C)Cc1ncc([N-]C(=O)c2ocnc2C(F)(F)F)cn1 ZINC000635878248 430400570 /nfs/dbraw/zinc/40/05/70/430400570.db2.gz SGMHQHUZYQMRIW-UHFFFAOYSA-N -1 3 314.267 2.934 20 0 DFADHM COc1cccc(CN(CCCC(=O)[O-])Cc2ccccc2)n1 ZINC000583505522 430403185 /nfs/dbraw/zinc/40/31/85/430403185.db2.gz IVDJIZDBYKTXNO-UHFFFAOYSA-N -1 3 314.385 2.957 20 0 DFADHM O=C([O-])c1sccc1CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000568902562 430404683 /nfs/dbraw/zinc/40/46/83/430404683.db2.gz PLEQOSDLWBMWKS-UONOGXRCSA-N -1 3 309.431 2.819 20 0 DFADHM O=C([O-])[C@H](c1ccccc1F)N1CC[C@@H](COC(F)F)C1 ZINC000568902794 430405685 /nfs/dbraw/zinc/40/56/85/430405685.db2.gz WXBAATQVENEQCQ-SKDRFNHKSA-N -1 3 303.280 2.513 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc2sccc2s1 ZINC000547652903 430408897 /nfs/dbraw/zinc/40/88/97/430408897.db2.gz XLQOZVXHBUUAPV-UHFFFAOYSA-N -1 3 307.356 2.725 20 0 DFADHM CCCn1ccc2ccc([N-]S(=O)(=O)C3(COC)CC3)cc21 ZINC000641684588 430441797 /nfs/dbraw/zinc/44/17/97/430441797.db2.gz PTFQRRXPHMCDJC-UHFFFAOYSA-N -1 3 322.430 2.972 20 0 DFADHM CCCOc1ccc([N-]S(=O)(=O)C2(COC)CC2)cc1F ZINC000641694420 430444629 /nfs/dbraw/zinc/44/46/29/430444629.db2.gz CEQCQDMHPKBADF-UHFFFAOYSA-N -1 3 317.382 2.535 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)C(F)F ZINC000641702449 430445171 /nfs/dbraw/zinc/44/51/71/430445171.db2.gz PXTNJXBOGJJBPH-ZCFIWIBFSA-N -1 3 319.251 2.517 20 0 DFADHM CSc1ccc(S(=O)(=O)[N-][C@H](C)C(F)F)cc1Cl ZINC000641702788 430445206 /nfs/dbraw/zinc/44/52/06/430445206.db2.gz WBUYMBZGTGWWAU-ZCFIWIBFSA-N -1 3 315.794 2.994 20 0 DFADHM CCc1cccc(C(=O)Nc2cccc(N3CCC3=O)c2)c1[O-] ZINC000548073676 430445195 /nfs/dbraw/zinc/44/51/95/430445195.db2.gz NRDKWHNXDDWUSW-UHFFFAOYSA-N -1 3 310.353 2.944 20 0 DFADHM CC[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1c(C)noc1C ZINC000569381400 430449759 /nfs/dbraw/zinc/44/97/59/430449759.db2.gz CLHJRWSTUGHZOQ-NSHDSACASA-N -1 3 317.324 2.583 20 0 DFADHM CC[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1c(C)noc1C ZINC000569381400 430449762 /nfs/dbraw/zinc/44/97/62/430449762.db2.gz CLHJRWSTUGHZOQ-NSHDSACASA-N -1 3 317.324 2.583 20 0 DFADHM CC[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1c(C)noc1C ZINC000569381400 430449767 /nfs/dbraw/zinc/44/97/67/430449767.db2.gz CLHJRWSTUGHZOQ-NSHDSACASA-N -1 3 317.324 2.583 20 0 DFADHM COCCOc1ccccc1CN1CCC[C@@H](CC(=O)[O-])CC1 ZINC000641814987 430481150 /nfs/dbraw/zinc/48/11/50/430481150.db2.gz YPSUTIFKLOEYKJ-OAHLLOKOSA-N -1 3 321.417 2.789 20 0 DFADHM C[C@@H]1CN(Cc2ccccc2Br)C[C@]1(C)C(=O)[O-] ZINC000569493621 430461353 /nfs/dbraw/zinc/46/13/53/430461353.db2.gz WNVBBGUHXXHNAZ-YGRLFVJLSA-N -1 3 312.207 2.992 20 0 DFADHM CSc1cc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c(C)o1 ZINC000636110421 430464242 /nfs/dbraw/zinc/46/42/42/430464242.db2.gz DEORPPPCDNZDOZ-UHFFFAOYSA-N -1 3 321.402 2.779 20 0 DFADHM O=C([O-])c1ccc2c(c1)CN(CCN1CCc3ccccc31)CC2 ZINC000584178119 430466513 /nfs/dbraw/zinc/46/65/13/430466513.db2.gz BQIVBPFEIZKZGX-UHFFFAOYSA-N -1 3 322.408 2.806 20 0 DFADHM O=C([O-])C[C@H]1CCCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000641814275 430481797 /nfs/dbraw/zinc/48/17/97/430481797.db2.gz PVFAPJUFEOSHCT-ZDUSSCGKSA-N -1 3 314.389 2.549 20 0 DFADHM CCOc1cc(Cl)ccc1C(=O)Nc1nc[n-]c1C(=O)OC ZINC000584245313 430473156 /nfs/dbraw/zinc/47/31/56/430473156.db2.gz XWOPVAKLHWMJLJ-UHFFFAOYSA-N -1 3 323.736 2.501 20 0 DFADHM CCOc1cc(Cl)ccc1C(=O)Nc1[n-]cnc1C(=O)OC ZINC000584245313 430473158 /nfs/dbraw/zinc/47/31/58/430473158.db2.gz XWOPVAKLHWMJLJ-UHFFFAOYSA-N -1 3 323.736 2.501 20 0 DFADHM O=C([O-])COCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000584340515 430473640 /nfs/dbraw/zinc/47/36/40/430473640.db2.gz JCWJMJGLWSEPAD-UHFFFAOYSA-N -1 3 309.749 2.791 20 0 DFADHM C[C@@H]1CCN(Cc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1C(=O)[O-] ZINC000641795435 430473840 /nfs/dbraw/zinc/47/38/40/430473840.db2.gz ZQKWWKBHJPHWBJ-KOLCDFICSA-N -1 3 313.300 2.551 20 0 DFADHM CC(C)N(C(=O)[C@H](C)N1CCC[C@H](CC(=O)[O-])CC1)C(C)C ZINC000641796257 430476088 /nfs/dbraw/zinc/47/60/88/430476088.db2.gz TZYVVGDWPJOGGR-GJZGRUSLSA-N -1 3 312.454 2.597 20 0 DFADHM C[C@H](C(=O)N(C)c1ccccc1)N1CCC[C@@H](CC(=O)[O-])CC1 ZINC000641795795 430477275 /nfs/dbraw/zinc/47/72/75/430477275.db2.gz NEXHPTXYCQFZGZ-HUUCEWRRSA-N -1 3 318.417 2.615 20 0 DFADHM Cc1cccn2c(CN3CCC[C@@H](CC(=O)[O-])CC3)cnc12 ZINC000641814729 430481970 /nfs/dbraw/zinc/48/19/70/430481970.db2.gz VBRTZETUPVYDBO-CQSZACIVSA-N -1 3 301.390 2.720 20 0 DFADHM CC[C@H](C(=O)[O-])N1CCc2cc(Br)cc(C)c2C1 ZINC000583698432 430421369 /nfs/dbraw/zinc/42/13/69/430421369.db2.gz AEJBDMZRQDISFC-CYBMUJFWSA-N -1 3 312.207 2.979 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1CC[C@@H]3CCCC[C@H]3C1)C2 ZINC000636284241 430501996 /nfs/dbraw/zinc/50/19/96/430501996.db2.gz PFOGOWCFAPEMLS-MELADBBJSA-N -1 3 315.417 2.939 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCC2(CCCC2)C1 ZINC000548814578 430502667 /nfs/dbraw/zinc/50/26/67/430502667.db2.gz KDSBVSDCZUAVSO-UHFFFAOYSA-N -1 3 302.353 2.893 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCC2(CCCC2)C1 ZINC000548814578 430502671 /nfs/dbraw/zinc/50/26/71/430502671.db2.gz KDSBVSDCZUAVSO-UHFFFAOYSA-N -1 3 302.353 2.893 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCC2(CCCC2)C1 ZINC000548814578 430502675 /nfs/dbraw/zinc/50/26/75/430502675.db2.gz KDSBVSDCZUAVSO-UHFFFAOYSA-N -1 3 302.353 2.893 20 0 DFADHM C[C@@H](Cc1ccsc1)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000548800113 430502824 /nfs/dbraw/zinc/50/28/24/430502824.db2.gz XNNXLEXAJPNEQR-QMMMGPOBSA-N -1 3 304.350 2.520 20 0 DFADHM C[C@@H](Cc1ccsc1)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000548800113 430502829 /nfs/dbraw/zinc/50/28/29/430502829.db2.gz XNNXLEXAJPNEQR-QMMMGPOBSA-N -1 3 304.350 2.520 20 0 DFADHM C[C@@H](Cc1ccsc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000548800113 430502832 /nfs/dbraw/zinc/50/28/32/430502832.db2.gz XNNXLEXAJPNEQR-QMMMGPOBSA-N -1 3 304.350 2.520 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(CC(C)C)cc1)C2 ZINC000636281719 430503055 /nfs/dbraw/zinc/50/30/55/430503055.db2.gz DNKJOFDGZGUVDN-UHFFFAOYSA-N -1 3 311.385 2.845 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)Cc1cccc(C(C)C)c1)C2 ZINC000636294144 430506915 /nfs/dbraw/zinc/50/69/15/430506915.db2.gz KMLHISYZDAMUMR-UHFFFAOYSA-N -1 3 311.385 2.699 20 0 DFADHM CCOC(=O)c1cnc([N-]c2cc(C)n([C@@H](C)CC)n2)s1 ZINC000596185605 430509633 /nfs/dbraw/zinc/50/96/33/430509633.db2.gz OBSWFABGIBBKDU-VIFPVBQESA-N -1 3 308.407 3.539 20 0 DFADHM O=C(CC1=CCCCC1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319596 430512840 /nfs/dbraw/zinc/51/28/40/430512840.db2.gz SQWWXTFKIALHHE-UHFFFAOYSA-N -1 3 301.390 2.956 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)C1 ZINC000636319670 430513065 /nfs/dbraw/zinc/51/30/65/430513065.db2.gz SZPRDSUCDBFFCB-DGCLKSJQSA-N -1 3 303.406 2.892 20 0 DFADHM C[C@@H]1CCCC[C@H]1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636323470 430514256 /nfs/dbraw/zinc/51/42/56/430514256.db2.gz ZWBJJRZKWACIRO-BXUZGUMPSA-N -1 3 303.406 2.892 20 0 DFADHM O=C(N[C@@H](CF)c1ccc(F)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000636341107 430518629 /nfs/dbraw/zinc/51/86/29/430518629.db2.gz FWTSDYYDKPARNJ-ZDUSSCGKSA-N -1 3 319.311 2.639 20 0 DFADHM O=C([O-])c1cnoc1CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000570169018 430519836 /nfs/dbraw/zinc/51/98/36/430519836.db2.gz MAIRSMUYCMMEAD-ZDUSSCGKSA-N -1 3 304.321 2.719 20 0 DFADHM Cc1cc(OCC(=O)Nc2cccc(F)c2)cc2occ([O-])c21 ZINC000642610155 430521019 /nfs/dbraw/zinc/52/10/19/430521019.db2.gz YGSGXEOEMHCICC-UHFFFAOYSA-N -1 3 315.300 2.727 20 0 DFADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cnc2ccc[nH]c1-2 ZINC000636360245 430523292 /nfs/dbraw/zinc/52/32/92/430523292.db2.gz VAXBWOTVRRQNSP-SNVBAGLBSA-N -1 3 315.358 2.518 20 0 DFADHM CCOc1ccc(-c2nc(CN[C@H](C)[C@H](C)C(=O)[O-])co2)cc1 ZINC000570219032 430523378 /nfs/dbraw/zinc/52/33/78/430523378.db2.gz FYTWCBMCNLEBNT-NWDGAFQWSA-N -1 3 318.373 2.939 20 0 DFADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cncc(Cl)c1 ZINC000636359082 430523487 /nfs/dbraw/zinc/52/34/87/430523487.db2.gz VLOLKXVSRYTKAO-VIFPVBQESA-N -1 3 310.766 2.690 20 0 DFADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cnc2ccc[nH]c1-2 ZINC000636360244 430523657 /nfs/dbraw/zinc/52/36/57/430523657.db2.gz VAXBWOTVRRQNSP-JTQLQIEISA-N -1 3 315.358 2.518 20 0 DFADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCCn3nccc32)c1 ZINC000636371638 430527297 /nfs/dbraw/zinc/52/72/97/430527297.db2.gz RMIRDKSGBHQWGE-LBPRGKRZSA-N -1 3 303.387 2.576 20 0 DFADHM CC[C@H](C(=O)Nc1ccc(Br)cc1[O-])[C@@H](C)O ZINC000642899050 430533718 /nfs/dbraw/zinc/53/37/18/430533718.db2.gz POEGNXOHIJDQIW-APPZFPTMSA-N -1 3 302.168 2.500 20 0 DFADHM COCCOCc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000570380208 430538090 /nfs/dbraw/zinc/53/80/90/430538090.db2.gz QAUSWNRIERUOFV-UHFFFAOYSA-N -1 3 319.332 2.947 20 0 DFADHM CCn1c(CNC2(C(=O)[O-])CCCCC2)nc2ccccc21 ZINC000551055216 430549099 /nfs/dbraw/zinc/54/90/99/430549099.db2.gz JKXNUAPYISAWQY-UHFFFAOYSA-N -1 3 301.390 2.933 20 0 DFADHM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3csc(=O)[n-]3)C2)c1 ZINC000570533812 430552700 /nfs/dbraw/zinc/55/27/00/430552700.db2.gz NVWDDXKBAHRKRQ-HAQNSBGRSA-N -1 3 318.398 2.876 20 0 DFADHM COC(=O)c1cc(C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)c[n-]1 ZINC000551389223 430554994 /nfs/dbraw/zinc/55/49/94/430554994.db2.gz FGQHICIHJJJBPD-LLVKDONJSA-N -1 3 314.341 2.537 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1cscn1 ZINC000570582623 430555775 /nfs/dbraw/zinc/55/57/75/430555775.db2.gz CFKMSUDPAJUQHL-VIFPVBQESA-N -1 3 300.380 2.630 20 0 DFADHM C[C@@H]1CN(Cc2ccc(Br)cc2)C[C@@]1(C)C(=O)[O-] ZINC000570577381 430556199 /nfs/dbraw/zinc/55/61/99/430556199.db2.gz ZEMVEZSHFHKJAR-QMTHXVAHSA-N -1 3 312.207 2.992 20 0 DFADHM Cc1cn2cc(C(=O)[N-]c3nnc(C4CC4)s3)sc2n1 ZINC000552005282 430578475 /nfs/dbraw/zinc/57/84/75/430578475.db2.gz SQXVVXFSNJCMCH-UHFFFAOYSA-N -1 3 305.388 2.685 20 0 DFADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)C1(c2cccnc2)CCCC1 ZINC000615133426 430579621 /nfs/dbraw/zinc/57/96/21/430579621.db2.gz AYCKJAHVQPCZBM-UHFFFAOYSA-N -1 3 322.368 3.114 20 0 DFADHM O=C(Cc1coc2ccccc12)Nc1nnc(-c2ccccn2)[n-]1 ZINC000552033981 430580116 /nfs/dbraw/zinc/58/01/16/430580116.db2.gz YGXJERTVPROCEH-UHFFFAOYSA-N -1 3 319.324 2.794 20 0 DFADHM O=C(Cc1coc2ccccc12)Nc1nc(-c2ccccn2)n[n-]1 ZINC000552033981 430580120 /nfs/dbraw/zinc/58/01/20/430580120.db2.gz YGXJERTVPROCEH-UHFFFAOYSA-N -1 3 319.324 2.794 20 0 DFADHM O=C(Cc1coc2ccccc12)Nc1n[n-]c(-c2ccccn2)n1 ZINC000552033981 430580123 /nfs/dbraw/zinc/58/01/23/430580123.db2.gz YGXJERTVPROCEH-UHFFFAOYSA-N -1 3 319.324 2.794 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2cccc(-c3nc[nH]n3)c2)c1[O-] ZINC000552069684 430582882 /nfs/dbraw/zinc/58/28/82/430582882.db2.gz DAWVMARXQGQNIN-UHFFFAOYSA-N -1 3 322.324 2.632 20 0 DFADHM CC(=O)c1cccc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000552069299 430583132 /nfs/dbraw/zinc/58/31/32/430583132.db2.gz NEARSSMQYIYICD-GRYCIOLGSA-N -1 3 304.390 2.795 20 0 DFADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)c1[O-] ZINC000552069498 430584016 /nfs/dbraw/zinc/58/40/16/430584016.db2.gz WYZBDCUSMQVUFK-MRXNPFEDSA-N -1 3 316.401 2.940 20 0 DFADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)N(C)CC(F)(F)F ZINC000552434762 430597384 /nfs/dbraw/zinc/59/73/84/430597384.db2.gz ZQGCVQPYVWMNIP-SSDOTTSWSA-N -1 3 310.703 2.867 20 0 DFADHM Cc1cccc(C(=O)N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1[O-] ZINC000552455289 430598164 /nfs/dbraw/zinc/59/81/64/430598164.db2.gz SCQGDSJMPUEJGI-IYBDPMFKSA-N -1 3 322.408 2.909 20 0 DFADHM COc1ccc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cn1 ZINC000571054982 430600578 /nfs/dbraw/zinc/60/05/78/430600578.db2.gz UEKYFWFAERMTLH-CQSZACIVSA-N -1 3 314.385 2.813 20 0 DFADHM COc1ccc([C@@H]2CCN(Cc3cc(C(=O)[O-])co3)C2)cc1 ZINC000571769194 430652441 /nfs/dbraw/zinc/65/24/41/430652441.db2.gz RSJGHEKGCQGUQI-CYBMUJFWSA-N -1 3 301.342 2.976 20 0 DFADHM O=C([O-])[C@H](C1CC1)N1CCc2c(Br)cccc2C1 ZINC000571768912 430652669 /nfs/dbraw/zinc/65/26/69/430652669.db2.gz QVSGKBTXTVZEAG-ZDUSSCGKSA-N -1 3 310.191 2.670 20 0 DFADHM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1ncccc1[O-] ZINC000554858853 430653419 /nfs/dbraw/zinc/65/34/19/430653419.db2.gz ZYSYDXNFSMWUFJ-ZBFHGGJFSA-N -1 3 318.417 2.731 20 0 DFADHM C[C@H](NC(=O)Cc1cncc([O-])c1)c1cccc(OC(F)F)c1 ZINC000552998815 430606970 /nfs/dbraw/zinc/60/69/70/430606970.db2.gz LIZWNMUFKBGJLG-JTQLQIEISA-N -1 3 322.311 2.809 20 0 DFADHM O=C(Cc1cncc([O-])c1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000553543646 430619479 /nfs/dbraw/zinc/61/94/79/430619479.db2.gz BIAXKKKCSYMDTL-UHFFFAOYSA-N -1 3 318.283 2.782 20 0 DFADHM O=C(Cc1cncc([O-])c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000553543646 430619481 /nfs/dbraw/zinc/61/94/81/430619481.db2.gz BIAXKKKCSYMDTL-UHFFFAOYSA-N -1 3 318.283 2.782 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cc(OC)c(C)c(OC)c2)c1 ZINC000571353536 430621906 /nfs/dbraw/zinc/62/19/06/430621906.db2.gz HVRUCJIFYPPZJL-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM Cc1ccc2ncccc2c1S(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000643834601 430636010 /nfs/dbraw/zinc/63/60/10/430636010.db2.gz DGGVJRYVUNFDBW-SECBINFHSA-N -1 3 318.320 2.772 20 0 DFADHM CCCCCc1nnc([N-]C(=O)c2cc3ncccn3n2)s1 ZINC000643918230 430642209 /nfs/dbraw/zinc/64/22/09/430642209.db2.gz RNQQDKBGVYIXLB-UHFFFAOYSA-N -1 3 316.390 2.566 20 0 DFADHM CC1(C)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H]2CCC[C@@H]21 ZINC000572057080 430669706 /nfs/dbraw/zinc/66/97/06/430669706.db2.gz IMUNCNYMTDSGIP-WCQYABFASA-N -1 3 301.390 2.710 20 0 DFADHM COc1cccc2c(C(=O)N3CCOc4ccccc43)[n-]nc21 ZINC000362501488 278022822 /nfs/dbraw/zinc/02/28/22/278022822.db2.gz VNCBRONYLNLGNN-UHFFFAOYSA-N -1 3 309.325 2.611 20 0 DFADHM COc1cccc2c(C(=O)N3CCOc4ccccc43)n[n-]c21 ZINC000362501488 278022823 /nfs/dbraw/zinc/02/28/23/278022823.db2.gz VNCBRONYLNLGNN-UHFFFAOYSA-N -1 3 309.325 2.611 20 0 DFADHM CC(C)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c([O-])c1 ZINC000332190473 278028805 /nfs/dbraw/zinc/02/88/05/278028805.db2.gz BMWZYFKMWPWXGN-RRFJBIMHSA-N -1 3 303.402 2.749 20 0 DFADHM CO[C@@H]1CCN(Cc2ccccc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000572424342 430687124 /nfs/dbraw/zinc/68/71/24/430687124.db2.gz DQDUJWVNPXBRGU-DGCLKSJQSA-N -1 3 317.307 2.769 20 0 DFADHM CSc1nnc(NC(=O)[C@H]2CCOc3ccc(Cl)cc32)[n-]1 ZINC000353760995 278178008 /nfs/dbraw/zinc/17/80/08/278178008.db2.gz KZAGASONVODCLK-QMMMGPOBSA-N -1 3 324.793 2.685 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@H]2CCOc3ccc(Cl)cc32)n1 ZINC000353760995 278178010 /nfs/dbraw/zinc/17/80/10/278178010.db2.gz KZAGASONVODCLK-QMMMGPOBSA-N -1 3 324.793 2.685 20 0 DFADHM CSc1nc(NC(=O)[C@H]2CCOc3ccc(Cl)cc32)n[n-]1 ZINC000353760995 278178013 /nfs/dbraw/zinc/17/80/13/278178013.db2.gz KZAGASONVODCLK-QMMMGPOBSA-N -1 3 324.793 2.685 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000572493886 430689182 /nfs/dbraw/zinc/68/91/82/430689182.db2.gz DHKZSRSORRCMGH-WDEREUQCSA-N -1 3 319.748 2.592 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000572493886 430689184 /nfs/dbraw/zinc/68/91/84/430689184.db2.gz DHKZSRSORRCMGH-WDEREUQCSA-N -1 3 319.748 2.592 20 0 DFADHM CC(C)(CNC(=O)c1c[n-]c2ccncc2c1=O)C1CCCC1 ZINC000572609071 430692493 /nfs/dbraw/zinc/69/24/93/430692493.db2.gz YOCDLYJOUMPIFH-UHFFFAOYSA-N -1 3 313.401 2.869 20 0 DFADHM O=C([O-])CCN(CCc1cccnc1)Cc1cccc(F)c1F ZINC000572772508 430696822 /nfs/dbraw/zinc/69/68/22/430696822.db2.gz AKKRNNVIUQTUNA-UHFFFAOYSA-N -1 3 320.339 2.879 20 0 DFADHM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1Cc1ncccc1[O-] ZINC000572831600 430697120 /nfs/dbraw/zinc/69/71/20/430697120.db2.gz YKOGBJZDHOUIPW-QWHCGFSZSA-N -1 3 306.406 2.729 20 0 DFADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccccc1N1CCCC1=O ZINC000360500685 278320924 /nfs/dbraw/zinc/32/09/24/278320924.db2.gz NVLPVKWCMNDWEZ-UHFFFAOYSA-N -1 3 324.446 2.991 20 0 DFADHM CC1(C)CN(C(=O)c2cccc([O-])c2)C[C@H](C(F)(F)F)O1 ZINC000293760136 278324491 /nfs/dbraw/zinc/32/44/91/278324491.db2.gz QBBQOTOXIZRPNU-LLVKDONJSA-N -1 3 303.280 2.574 20 0 DFADHM C[C@H]1CCN(C(=O)CN2CCCCCC2=O)c2c([O-])cccc21 ZINC000186276873 278357707 /nfs/dbraw/zinc/35/77/07/278357707.db2.gz XKJJBAYODOOEIL-ZDUSSCGKSA-N -1 3 316.401 2.635 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@H]3CCCSC3)ccc2[n-]1 ZINC000644236406 430709220 /nfs/dbraw/zinc/70/92/20/430709220.db2.gz GFBFBEXEWCQDHF-LLVKDONJSA-N -1 3 319.430 2.835 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@H]3CCCSC3)cc2[n-]1 ZINC000644236406 430709224 /nfs/dbraw/zinc/70/92/24/430709224.db2.gz GFBFBEXEWCQDHF-LLVKDONJSA-N -1 3 319.430 2.835 20 0 DFADHM C[C@](Cc1ccccc1)(NC(=O)c1csc(=O)[n-]1)C1CC1 ZINC000654500628 430714482 /nfs/dbraw/zinc/71/44/82/430714482.db2.gz HKVAQRPWGATRHK-MRXNPFEDSA-N -1 3 302.399 2.990 20 0 DFADHM [O-]c1cccc(CN[C@@H]2C[C@@H](O)C23CCC3)c1Br ZINC000657708044 430714696 /nfs/dbraw/zinc/71/46/96/430714696.db2.gz JRCYGUMCVDRPHF-VXGBXAGGSA-N -1 3 312.207 2.548 20 0 DFADHM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2cncc(F)c2)C1 ZINC000358174229 278477459 /nfs/dbraw/zinc/47/74/59/278477459.db2.gz KZMUCELJIIDITM-UHFFFAOYSA-N -1 3 320.389 2.619 20 0 DFADHM C[C@@H](C(=O)NCC1CCCCC1)N1CCC[C@H](CC(=O)[O-])CC1 ZINC000648422678 430783537 /nfs/dbraw/zinc/78/35/37/430783537.db2.gz YQJPTYVOIKKXLE-GJZGRUSLSA-N -1 3 324.465 2.648 20 0 DFADHM O=S(=O)([N-]C(C1CC1)C1CC1)c1ccc(Cl)c(F)c1 ZINC000651508573 430812091 /nfs/dbraw/zinc/81/20/91/430812091.db2.gz WINNGVNWYTWRHW-UHFFFAOYSA-N -1 3 303.786 2.946 20 0 DFADHM COCCC1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000644769684 430818655 /nfs/dbraw/zinc/81/86/55/430818655.db2.gz XGCCZMGIKIRQBD-UHFFFAOYSA-N -1 3 303.280 2.520 20 0 DFADHM CCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2)on1 ZINC000651575480 430823288 /nfs/dbraw/zinc/82/32/88/430823288.db2.gz CKJQSGBFXBJFAI-UHFFFAOYSA-N -1 3 318.757 2.508 20 0 DFADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C1CC(C)C1 ZINC000651588293 430824367 /nfs/dbraw/zinc/82/43/67/430824367.db2.gz MVJIEEJLHLBNFC-UHFFFAOYSA-N -1 3 324.265 2.896 20 0 DFADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651585391 430824668 /nfs/dbraw/zinc/82/46/68/430824668.db2.gz QZCGMBDYGXFANT-NXEZZACHSA-N -1 3 323.817 2.555 20 0 DFADHM CC(C)(CCCO)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651627067 430834845 /nfs/dbraw/zinc/83/48/45/430834845.db2.gz KPSPJAJHFHTIMV-UHFFFAOYSA-N -1 3 323.817 2.556 20 0 DFADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000648431254 430784882 /nfs/dbraw/zinc/78/48/82/430784882.db2.gz OFJXSVOGILUBIC-IWSPIJDZSA-N -1 3 321.730 2.895 20 0 DFADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654773241 430809738 /nfs/dbraw/zinc/80/97/38/430809738.db2.gz ABOUOXXSCXQKKT-QFYYESIMSA-N -1 3 309.369 2.723 20 0 DFADHM CCc1cccc(C(=O)N2CCC(Cc3ncc[nH]3)CC2)c1[O-] ZINC000644890007 430856885 /nfs/dbraw/zinc/85/68/85/430856885.db2.gz WHHKLKDWRYDTCI-UHFFFAOYSA-N -1 3 313.401 2.773 20 0 DFADHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1)OC ZINC000651722070 430858279 /nfs/dbraw/zinc/85/82/79/430858279.db2.gz AWZHCGAYFLDLFK-VIFPVBQESA-N -1 3 309.790 2.573 20 0 DFADHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)CCO1 ZINC000651744424 430864630 /nfs/dbraw/zinc/86/46/30/430864630.db2.gz AXEWVFMKEPOBME-VHSXEESVSA-N -1 3 321.801 2.715 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC([C@@H]3CCCCO3)CC2)n1 ZINC000661866298 430873023 /nfs/dbraw/zinc/87/30/23/430873023.db2.gz JNCLOCWOMFFNGU-HIFRSBDPSA-N -1 3 305.422 2.833 20 0 DFADHM O=C(NCc1ncccc1[O-])NC[C@@H](c1ccccc1)C1CC1 ZINC000644962584 430878769 /nfs/dbraw/zinc/87/87/69/430878769.db2.gz LOEODOVLBCDALV-HNNXBMFYSA-N -1 3 311.385 2.780 20 0 DFADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1C[C@H]1CC(C)(C)C ZINC000651806704 430883363 /nfs/dbraw/zinc/88/33/63/430883363.db2.gz WPBOUMZVSTXRDJ-NWDGAFQWSA-N -1 3 312.435 2.583 20 0 DFADHM CC(C)OCCCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651637912 430837791 /nfs/dbraw/zinc/83/77/91/430837791.db2.gz DIMVKGSAZLJDDQ-UHFFFAOYSA-N -1 3 323.817 2.963 20 0 DFADHM O=C(NCc1ncccc1[O-])NC1CCC2(CC2(F)F)CC1 ZINC000661915078 430890761 /nfs/dbraw/zinc/89/07/61/430890761.db2.gz BSQOJWSLJVSAAK-UHFFFAOYSA-N -1 3 311.332 2.554 20 0 DFADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651851258 430895899 /nfs/dbraw/zinc/89/58/99/430895899.db2.gz MPNMBAZDBWHIPH-CHWSQXEVSA-N -1 3 321.801 2.715 20 0 DFADHM O=S(=O)([N-]C1(C2CCC2)CC1)c1cccnc1C(F)(F)F ZINC000651872289 430898506 /nfs/dbraw/zinc/89/85/06/430898506.db2.gz ZBEBZYNOYQAKTG-UHFFFAOYSA-N -1 3 320.336 2.711 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)COCC2CC2)sc1Cl ZINC000651889325 430904724 /nfs/dbraw/zinc/90/47/24/430904724.db2.gz PNLSXUFVMDVOJX-SECBINFHSA-N -1 3 323.867 2.803 20 0 DFADHM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000651886664 430905262 /nfs/dbraw/zinc/90/52/62/430905262.db2.gz AWCBSHQUJSWNBK-SECBINFHSA-N -1 3 321.801 2.573 20 0 DFADHM O=C([O-])C1CCC(NCc2cccc3c2OC(F)(F)O3)CC1 ZINC000665353851 430906827 /nfs/dbraw/zinc/90/68/27/430906827.db2.gz QMEMDCFOTYAPJT-UHFFFAOYSA-N -1 3 313.300 2.741 20 0 DFADHM Cc1ccc2nc(CNC[C@H](CC(=O)[O-])CC(C)C)cn2c1 ZINC000665352319 430906996 /nfs/dbraw/zinc/90/69/96/430906996.db2.gz DFOIWSCUTFQHCE-AWEZNQCLSA-N -1 3 303.406 2.869 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCc2ncncc2C1 ZINC000648837008 430909656 /nfs/dbraw/zinc/90/96/56/430909656.db2.gz XEOYBJXSTQIVMV-VIFPVBQESA-N -1 3 303.749 2.579 20 0 DFADHM COc1cc2c(c(CNC[C@H](C(=O)[O-])C3CCC3)c1)O[C@@H](C)C2 ZINC000665361202 430910522 /nfs/dbraw/zinc/91/05/22/430910522.db2.gz LHFZHWWGEVACMF-ZBEGNZNMSA-N -1 3 319.401 2.609 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C2CC3(CCC3)C2)c1 ZINC000651918771 430914853 /nfs/dbraw/zinc/91/48/53/430914853.db2.gz OUJYPHYYYSLRDC-UHFFFAOYSA-N -1 3 315.822 2.960 20 0 DFADHM [O-]c1cccc(CNC[C@H](O)COc2ccccc2)c1Cl ZINC000645145267 430914914 /nfs/dbraw/zinc/91/49/14/430914914.db2.gz CLIBFIOZJIBNDZ-ZDUSSCGKSA-N -1 3 307.777 2.575 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCC[C@H]1C1CCC1 ZINC000655160959 430916693 /nfs/dbraw/zinc/91/66/93/430916693.db2.gz PEBIKXFKGUWYQB-AWEZNQCLSA-N -1 3 301.390 2.854 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655163096 430916877 /nfs/dbraw/zinc/91/68/77/430916877.db2.gz RGQRASHUFFQXGG-UONOGXRCSA-N -1 3 309.369 2.654 20 0 DFADHM [O-]c1cccc(CN[C@H]2CCN(c3ncccc3F)C2)c1Cl ZINC000645161297 430920626 /nfs/dbraw/zinc/92/06/26/430920626.db2.gz CROXCNVWSYAAJN-LBPRGKRZSA-N -1 3 321.783 2.948 20 0 DFADHM [O-]c1cccc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)c1Cl ZINC000645163857 430921759 /nfs/dbraw/zinc/92/17/59/430921759.db2.gz FGSHJGRICAXYDI-CABCVRRESA-N -1 3 324.852 2.779 20 0 DFADHM C[C@H](O)C(=O)Nc1cc(Br)cc(C(C)(C)C)c1[O-] ZINC000655204903 430931125 /nfs/dbraw/zinc/93/11/25/430931125.db2.gz SDGFGITZHCCWQC-ZETCQYMHSA-N -1 3 316.195 2.772 20 0 DFADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCO[C@H]2C(C)C)c1[O-] ZINC000648904555 430932262 /nfs/dbraw/zinc/93/22/62/430932262.db2.gz AZYCRPUWJCHRCL-BBRMVZONSA-N -1 3 305.374 2.985 20 0 DFADHM CCOc1ccc(C[C@H](C)C(=O)NCc2ncccc2[O-])cc1 ZINC000665467510 430939423 /nfs/dbraw/zinc/93/94/23/430939423.db2.gz IJVUUAFWYRZXIH-ZDUSSCGKSA-N -1 3 314.385 2.681 20 0 DFADHM CCO[C@@H]1C[C@@H](NCc2cccc([O-])c2Cl)[C@H]1n1cccn1 ZINC000645222561 430941464 /nfs/dbraw/zinc/94/14/64/430941464.db2.gz IANOLKLDQBAETJ-XNRPHZJLSA-N -1 3 321.808 2.750 20 0 DFADHM CCc1cc(C(=O)N2CCN(C(C)(C)CC)CC2)ccc1[O-] ZINC000655269654 430944917 /nfs/dbraw/zinc/94/49/17/430944917.db2.gz UAXHVLADPVELCM-UHFFFAOYSA-N -1 3 304.434 2.901 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCC23CCOCC3)cc1[O-] ZINC000665485889 430946223 /nfs/dbraw/zinc/94/62/23/430946223.db2.gz OMEMEVGWRHXDEW-MRXNPFEDSA-N -1 3 317.385 2.674 20 0 DFADHM Cc1cc2ncc(C(=O)N3CCCc4cccc([O-])c43)c(C)n2n1 ZINC000272422674 278763989 /nfs/dbraw/zinc/76/39/89/278763989.db2.gz GRYZSZVPBXLGIK-UHFFFAOYSA-N -1 3 322.368 2.645 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H]1CCC2(CCCC2)O1 ZINC000655366786 430979589 /nfs/dbraw/zinc/97/95/89/430979589.db2.gz VNWQCGJCHNMOPU-CYBMUJFWSA-N -1 3 307.365 2.682 20 0 DFADHM CN1C[C@@H](c2ccccc2)[C@H](CN=c2nc(C3CC3)[n-]s2)C1 ZINC000645372390 430984724 /nfs/dbraw/zinc/98/47/24/430984724.db2.gz TUVSELZUSVCMRB-CABCVRRESA-N -1 3 314.458 2.595 20 0 DFADHM CC[C@H](C)C[C@H](CO)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000649059198 430989986 /nfs/dbraw/zinc/98/99/86/430989986.db2.gz DQDXSASTKQCNAT-VHSXEESVSA-N -1 3 319.323 2.938 20 0 DFADHM CCOc1ccc(CNC(=O)Cc2cncc([O-])c2)cc1Cl ZINC000655398988 430991438 /nfs/dbraw/zinc/99/14/38/430991438.db2.gz ZQRHHLNYQBLGMS-UHFFFAOYSA-N -1 3 320.776 2.698 20 0 DFADHM C[C@H]1CN(C(=O)Cc2cncc([O-])c2)CCc2ccc(F)cc21 ZINC000655407181 430995483 /nfs/dbraw/zinc/99/54/83/430995483.db2.gz JSSYRKFMIXLFCZ-LBPRGKRZSA-N -1 3 314.360 2.657 20 0 DFADHM C[C@H](CSc1ccccc1)N(C)C(=O)Cc1cncc([O-])c1 ZINC000655407715 430996098 /nfs/dbraw/zinc/99/60/98/430996098.db2.gz MSHCQHZSUIKVSI-CYBMUJFWSA-N -1 3 316.426 2.969 20 0 DFADHM CCN(Cc1ccc(Br)cc1F)[C@@H](C)C(=O)[O-] ZINC000662215052 431000082 /nfs/dbraw/zinc/00/00/82/431000082.db2.gz FACNXOJMPRYHGR-QMMMGPOBSA-N -1 3 304.159 2.883 20 0 DFADHM O=C([O-])CC1(NCc2ccc(Cl)cc2F)CCOCC1 ZINC000662212293 431001338 /nfs/dbraw/zinc/00/13/38/431001338.db2.gz NBOBRIDDBADDJV-UHFFFAOYSA-N -1 3 301.745 2.593 20 0 DFADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)C1 ZINC000645465844 431008639 /nfs/dbraw/zinc/00/86/39/431008639.db2.gz ZEPWGWAXIKKGPW-CMPLNLGQSA-N -1 3 301.383 2.691 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)C[C@@H]3CCOC3)ccc2[n-]1 ZINC000649133266 431009784 /nfs/dbraw/zinc/00/97/84/431009784.db2.gz HSHRGZSVBUVSDL-RYUDHWBXSA-N -1 3 317.389 2.507 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)C[C@@H]3CCOC3)cc2[n-]1 ZINC000649133266 431009786 /nfs/dbraw/zinc/00/97/86/431009786.db2.gz HSHRGZSVBUVSDL-RYUDHWBXSA-N -1 3 317.389 2.507 20 0 DFADHM CCOc1nc2cc(C(=O)N3CC4(C3)CC(F)(F)C4)ccc2[n-]1 ZINC000649209529 431029642 /nfs/dbraw/zinc/02/96/42/431029642.db2.gz KYOSVDFBOBDRSE-UHFFFAOYSA-N -1 3 321.327 2.833 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CC4(C3)CC(F)(F)C4)cc2[n-]1 ZINC000649209529 431029646 /nfs/dbraw/zinc/02/96/46/431029646.db2.gz KYOSVDFBOBDRSE-UHFFFAOYSA-N -1 3 321.327 2.833 20 0 DFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1snnc1C(C)(C)C ZINC000649229896 431035443 /nfs/dbraw/zinc/03/54/43/431035443.db2.gz RIVNFGWVHYBWMB-UHFFFAOYSA-N -1 3 307.423 2.665 20 0 DFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc2c1CC(=O)CC2 ZINC000649229179 431035466 /nfs/dbraw/zinc/03/54/66/431035466.db2.gz QCROHYPYUOYGLY-UHFFFAOYSA-N -1 3 311.385 2.574 20 0 DFADHM Cc1cc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)nn1[C@@H](C)C1CC1 ZINC000649230417 431035479 /nfs/dbraw/zinc/03/54/79/431035479.db2.gz JIZDHOJLADNQFR-LBPRGKRZSA-N -1 3 315.421 2.992 20 0 DFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCCN1c1ccccc1 ZINC000649229751 431036153 /nfs/dbraw/zinc/03/61/53/431036153.db2.gz LWXQXVNGVUNXBO-OAHLLOKOSA-N -1 3 312.417 2.871 20 0 DFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(OC(C)C)cn1 ZINC000649229977 431036390 /nfs/dbraw/zinc/03/63/90/431036390.db2.gz UZLIMOBTJZNCGS-UHFFFAOYSA-N -1 3 302.378 2.698 20 0 DFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000649228919 431036439 /nfs/dbraw/zinc/03/64/39/431036439.db2.gz FUGTYNLVGHICLE-CQSZACIVSA-N -1 3 311.385 2.962 20 0 DFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ncccc1C(F)(F)F ZINC000649230695 431036769 /nfs/dbraw/zinc/03/67/69/431036769.db2.gz TUGNJGNDDPMPJD-UHFFFAOYSA-N -1 3 312.295 2.930 20 0 DFADHM COc1ccc(OCCN(C)Cc2ccc(C(=O)[O-])s2)cc1 ZINC000652378966 431037511 /nfs/dbraw/zinc/03/75/11/431037511.db2.gz 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/nfs/dbraw/zinc/61/48/00/431614800.db2.gz VTKAFKVVMHXLBP-LBPRGKRZSA-N -1 3 307.337 2.848 20 0 DFADHM COc1cc(OC)cc(-c2noc([N-]Cc3cnc(C)o3)n2)c1 ZINC000664000589 431621936 /nfs/dbraw/zinc/62/19/36/431621936.db2.gz VJRGZGVHNCRZSX-UHFFFAOYSA-N -1 3 316.317 2.662 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@@H]2c2ccccc2)s1 ZINC000657195546 431624714 /nfs/dbraw/zinc/62/47/14/431624714.db2.gz FFMLCNIEUHCWCV-CHWSQXEVSA-N -1 3 322.455 2.930 20 0 DFADHM CCc1nc([C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)n[nH]1 ZINC000657259400 431640675 /nfs/dbraw/zinc/64/06/75/431640675.db2.gz FKHXXYHJGNEFSN-RXMQYKEDSA-N -1 3 301.322 2.654 20 0 DFADHM CCn1cc(CN(C(=O)c2cccc(C)c2[O-])C(C)C)cn1 ZINC000650678130 431645057 /nfs/dbraw/zinc/64/50/57/431645057.db2.gz NMRKDNPZALMJFC-UHFFFAOYSA-N -1 3 301.390 2.968 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000647704332 431664485 /nfs/dbraw/zinc/66/44/85/431664485.db2.gz GGEQTURORBCIAQ-ZDEQEGDKSA-N -1 3 321.421 2.549 20 0 DFADHM C[C@H]1CCCC[C@H]1N(C)C(=O)COc1ccc2c([O-])coc2c1 ZINC000664137113 431668912 /nfs/dbraw/zinc/66/89/12/431668912.db2.gz XNAVJLBDBMBPEE-SWLSCSKDSA-N -1 3 317.385 2.678 20 0 DFADHM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000329213859 280532130 /nfs/dbraw/zinc/53/21/30/280532130.db2.gz KDIWRZXKPFHBAU-YQPCPPDFSA-N -1 3 321.421 2.693 20 0 DFADHM Cc1[nH][n-]c(=O)c1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000647816725 431699387 /nfs/dbraw/zinc/69/93/87/431699387.db2.gz SEEUHQGHXGXLTI-UHFFFAOYSA-N -1 3 303.215 2.834 20 0 DFADHM COc1cc(CN2[C@@H](C)CC[C@H]2C(=O)[O-])cc(Cl)c1OC ZINC000650794034 431699598 /nfs/dbraw/zinc/69/95/98/431699598.db2.gz QPEJVAFNXYZSKF-CABZTGNLSA-N -1 3 313.781 2.795 20 0 DFADHM O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccccc1[O-] ZINC000654224584 431701113 /nfs/dbraw/zinc/70/11/13/431701113.db2.gz IFACTLWYEBCIRW-CABZTGNLSA-N -1 3 303.280 2.622 20 0 DFADHM O=C([O-])CN(Cc1cnn(-c2ccc(Cl)cc2)c1)CC1CC1 ZINC000650797518 431702854 /nfs/dbraw/zinc/70/28/54/431702854.db2.gz YQECUKBFFRCVAQ-UHFFFAOYSA-N -1 3 319.792 2.822 20 0 DFADHM Cn1c(CN(CC(=O)[O-])CC2CC2)nc2ccc(Cl)cc21 ZINC000650797749 431703236 /nfs/dbraw/zinc/70/32/36/431703236.db2.gz COVLLVSTSRLRKE-UHFFFAOYSA-N -1 3 307.781 2.523 20 0 DFADHM Cn1c(CNC[C@](C)(C(=O)[O-])c2ccccc2)nc2ccccc21 ZINC000650801342 431704214 /nfs/dbraw/zinc/70/42/14/431704214.db2.gz QZAWJNCOLDDKAG-IBGZPJMESA-N -1 3 323.396 2.705 20 0 DFADHM CCOc1cccc(CNC[C@](C)(C(=O)[O-])c2ccccc2)n1 ZINC000650800588 431705603 /nfs/dbraw/zinc/70/56/03/431705603.db2.gz BNEJNQOYCHEQGM-SFHVURJKSA-N -1 3 314.385 2.612 20 0 DFADHM CCOc1cccc(CN(C)[C@@H](CC)C(=O)[O-])c1OC(F)F ZINC000650807566 431709651 /nfs/dbraw/zinc/70/96/51/431709651.db2.gz AVCJOMPCUXOZEK-NSHDSACASA-N -1 3 317.332 2.982 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC[C@@H](c3ccccn3)C2)on1 ZINC000647949662 431742190 /nfs/dbraw/zinc/74/21/90/431742190.db2.gz FUDZFAPUBSBSQR-ZIAGYGMSSA-N -1 3 314.389 2.585 20 0 DFADHM COc1ccc(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)c([O-])c1 ZINC000654342438 431757290 /nfs/dbraw/zinc/75/72/90/431757290.db2.gz KFMKUSWNPZQSCI-CYBMUJFWSA-N -1 3 319.401 2.965 20 0 DFADHM COC[C@H](CC(C)(C)C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000654453703 431797253 /nfs/dbraw/zinc/79/72/53/431797253.db2.gz DLQPABCCQYOKHG-LBPRGKRZSA-N -1 3 312.385 2.782 20 0 DFADHM [O-]c1cccc(CN2CC[C@H](Nc3ncccn3)C2)c1Cl ZINC000648049178 431799554 /nfs/dbraw/zinc/79/95/54/431799554.db2.gz ZLAXODCZBSHKDY-LBPRGKRZSA-N -1 3 304.781 2.522 20 0 DFADHM C[C@H]1C[C@H](NCc2cc([O-])ccc2Br)c2ncnn21 ZINC000657568248 431813548 /nfs/dbraw/zinc/81/35/48/431813548.db2.gz HLKDRZGILMXINY-UFBFGSQYSA-N -1 3 323.194 2.542 20 0 DFADHM CC(C)n1[n-]cc/c1=N\C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000152961937 280743982 /nfs/dbraw/zinc/74/39/82/280743982.db2.gz CBPRNBQKWYIJGG-HKQXWODQSA-N -1 3 310.401 2.736 20 0 DFADHM Oc1ccc2c(c1)[C@H]([N-]c1nc(C3CCOCC3)no1)CC2 ZINC000664452565 431780823 /nfs/dbraw/zinc/78/08/23/431780823.db2.gz URNCFFMHCUCAEI-CQSZACIVSA-N -1 3 301.346 2.769 20 0 DFADHM [O-]c1cccc(CNCCO[C@@H]2CC2(F)F)c1Br ZINC000657619792 431826981 /nfs/dbraw/zinc/82/69/81/431826981.db2.gz UESNDYQVEYPUPH-SNVBAGLBSA-N -1 3 322.149 2.669 20 0 DFADHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000408114393 281034548 /nfs/dbraw/zinc/03/45/48/281034548.db2.gz XSPJQDOTZDCUFD-JTQLQIEISA-N -1 3 322.352 2.957 20 0 DFADHM Cc1ccc2oc(C(=O)[N-]c3n[nH]c(-c4ccncc4)n3)cc2n1 ZINC000366595339 281181757 /nfs/dbraw/zinc/18/17/57/281181757.db2.gz FZLMERNPNOMWMW-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)Nc3nc4ccccc4[nH]3)c[n-]c12 ZINC000357438849 281265327 /nfs/dbraw/zinc/26/53/27/281265327.db2.gz MQEPYXDBSZOETE-UHFFFAOYSA-N -1 3 318.336 2.965 20 0 DFADHM COC(=O)c1cccc([N-]C(=O)c2nc3c(s2)CCC3)c1F ZINC000415758871 289131185 /nfs/dbraw/zinc/13/11/85/289131185.db2.gz JDRAXLAZYZSTMW-UHFFFAOYSA-N -1 3 320.345 2.810 20 0 DFADHM CN(CC(C)(C)C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000331243305 289506401 /nfs/dbraw/zinc/50/64/01/289506401.db2.gz RQXMMWOYAYCMHZ-CQSZACIVSA-N -1 3 318.417 2.501 20 0 DFADHM Cc1cnc([C@@H]2CCCCN2C(=O)c2csc(=O)[n-]2)s1 ZINC000370483127 292943689 /nfs/dbraw/zinc/94/36/89/292943689.db2.gz FKQJRDSLFKZYOO-JTQLQIEISA-N -1 3 309.416 2.981 20 0 DFADHM Cc1coc2ccc([N-]S(=O)(=O)c3c[nH]c(=O)s3)cc12 ZINC000436474756 297004886 /nfs/dbraw/zinc/00/48/86/297004886.db2.gz DPBVNEOLVDMOJV-UHFFFAOYSA-N -1 3 310.356 2.704 20 0 DFADHM O=C(N[C@@H](CO)c1cccc(Cl)c1F)c1ccccc1[O-] ZINC000436483225 297005718 /nfs/dbraw/zinc/00/57/18/297005718.db2.gz BTOVYFJEGKFKCT-LBPRGKRZSA-N -1 3 309.724 2.648 20 0 DFADHM COc1ccc(C(=O)NCc2ccc(Cl)cc2OC)c([O-])c1 ZINC000436490894 297006372 /nfs/dbraw/zinc/00/63/72/297006372.db2.gz PQEZBPRSRKMNPB-UHFFFAOYSA-N -1 3 321.760 2.993 20 0 DFADHM Cc1nn(C)c2nc(C(=O)Nc3cc(Cl)ccc3[O-])ccc12 ZINC000436492496 297006568 /nfs/dbraw/zinc/00/65/68/297006568.db2.gz RTFKYCAKGXBDCX-UHFFFAOYSA-N -1 3 316.748 2.888 20 0 DFADHM COC(=O)c1cc(OC)ccc1NC(=O)c1cccc(C)c1[O-] ZINC000436496416 297006696 /nfs/dbraw/zinc/00/66/96/297006696.db2.gz ZEZXXINGOFMOMX-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM CCC(CC)(CNC(=O)c1ccc(C)c(C)c1[O-])C(=O)OC ZINC000436503067 297007614 /nfs/dbraw/zinc/00/76/14/297007614.db2.gz FLWPBJNYJUPHII-UHFFFAOYSA-N -1 3 307.390 2.718 20 0 DFADHM Cc1ccc(C(=O)NCc2cccc(-n3cncn3)c2)c([O-])c1C ZINC000436526137 297009369 /nfs/dbraw/zinc/00/93/69/297009369.db2.gz DSTOBFOZVUXFJI-UHFFFAOYSA-N -1 3 322.368 2.520 20 0 DFADHM COCCOc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000436527467 297009440 /nfs/dbraw/zinc/00/94/40/297009440.db2.gz LLOFFDIRIYIZGS-UHFFFAOYSA-N -1 3 317.341 2.678 20 0 DFADHM CCN1CCC[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000436529422 297009475 /nfs/dbraw/zinc/00/94/75/297009475.db2.gz ODRAAUSSEROWPL-SECBINFHSA-N -1 3 317.216 2.913 20 0 DFADHM O=C(NCc1c[nH]cn1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436533234 297010057 /nfs/dbraw/zinc/01/00/57/297010057.db2.gz XRJIMOUPSKXNBV-UHFFFAOYSA-N -1 3 309.325 2.838 20 0 DFADHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2ncon2)c([O-])c1C ZINC000436535935 297010147 /nfs/dbraw/zinc/01/01/47/297010147.db2.gz LUDMAPJZDBQOKE-CYBMUJFWSA-N -1 3 301.346 2.759 20 0 DFADHM COCc1ccccc1CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436531281 297010226 /nfs/dbraw/zinc/01/02/26/297010226.db2.gz PGMKLTCIXZLPIG-UHFFFAOYSA-N -1 3 313.353 2.671 20 0 DFADHM CN(C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000436554285 297012054 /nfs/dbraw/zinc/01/20/54/297012054.db2.gz JPCJEBLOCZOZRQ-OAHLLOKOSA-N -1 3 310.397 2.854 20 0 DFADHM Cc1ccc(C(=O)N2C[C@@H]3CCCCN3C[C@H]2C)c([O-])c1C ZINC000436558001 297012095 /nfs/dbraw/zinc/01/20/95/297012095.db2.gz ZJMTWHSXGVXOIE-HIFRSBDPSA-N -1 3 302.418 2.708 20 0 DFADHM CN(Cc1ncc[nH]1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436554559 297012177 /nfs/dbraw/zinc/01/21/77/297012177.db2.gz JYHKYZCQKQUMTP-UHFFFAOYSA-N -1 3 321.380 2.978 20 0 DFADHM CN(C(=O)c1ccc2ccccc2c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000436554284 297012216 /nfs/dbraw/zinc/01/22/16/297012216.db2.gz JPCJEBLOCZOZRQ-HNNXBMFYSA-N -1 3 310.397 2.854 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)c1ccnc(NC(=O)C2CC2)c1 ZINC000436563451 297012520 /nfs/dbraw/zinc/01/25/20/297012520.db2.gz DJRNHGPTXZCGSG-UHFFFAOYSA-N -1 3 315.304 2.527 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c([O-])c1C ZINC000436560000 297012717 /nfs/dbraw/zinc/01/27/17/297012717.db2.gz ZNJWVYPXTCICNX-INIZCTEOSA-N -1 3 324.380 2.544 20 0 DFADHM O=C(c1ccccc1[O-])N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000436562532 297012834 /nfs/dbraw/zinc/01/28/34/297012834.db2.gz KQGRBFUMFYUPCM-UHFFFAOYSA-N -1 3 307.353 2.958 20 0 DFADHM COC[C@@H](NC(=O)c1cc(OC)ccc1[O-])c1ccc(F)cc1 ZINC000436573949 297013604 /nfs/dbraw/zinc/01/36/04/297013604.db2.gz JRNMPLUBBOSREA-OAHLLOKOSA-N -1 3 319.332 2.657 20 0 DFADHM COCCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436582460 297014837 /nfs/dbraw/zinc/01/48/37/297014837.db2.gz LIVZTTIXVIJDFS-UHFFFAOYSA-N -1 3 313.397 2.944 20 0 DFADHM Cc1cccc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1[O-] ZINC000436583865 297015002 /nfs/dbraw/zinc/01/50/02/297015002.db2.gz KQUDXVLVVIZQLW-CZUORRHYSA-N -1 3 324.380 2.624 20 0 DFADHM COc1cccc(O[C@@H](C)CNC(=O)c2ccc(C)cc2[O-])c1 ZINC000436587016 297015187 /nfs/dbraw/zinc/01/51/87/297015187.db2.gz CXRXRDFHTGGYOP-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)CC(=O)c2ccco2)c([O-])c1C ZINC000436586458 297015322 /nfs/dbraw/zinc/01/53/22/297015322.db2.gz MDNOWKKMXLCXTF-LLVKDONJSA-N -1 3 301.342 2.993 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCc3cn(C(C)C)nc3C2)c1 ZINC000436596252 297016748 /nfs/dbraw/zinc/01/67/48/297016748.db2.gz LNIUTPHFMAIQGC-AWEZNQCLSA-N -1 3 313.401 2.765 20 0 DFADHM Cc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])cn(C)c1=O ZINC000436600010 297017117 /nfs/dbraw/zinc/01/71/17/297017117.db2.gz GJNDFBVNBPWZOW-UHFFFAOYSA-N -1 3 300.358 2.775 20 0 DFADHM COCCN(C[C@H]1CC=CCC1)C(=O)c1ccc(OC)cc1[O-] ZINC000436599888 297017328 /nfs/dbraw/zinc/01/73/28/297017328.db2.gz DUVAKBLIKALAAU-AWEZNQCLSA-N -1 3 319.401 2.846 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000436601677 297017402 /nfs/dbraw/zinc/01/74/02/297017402.db2.gz CTSDOCSDVCSARP-HOTGVXAUSA-N -1 3 315.413 2.770 20 0 DFADHM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000436615710 297018275 /nfs/dbraw/zinc/01/82/75/297018275.db2.gz BPVFSNSGXFMSPB-WMZOPIPTSA-N -1 3 313.353 2.566 20 0 DFADHM CCCN(CCN1CCCC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436619680 297018556 /nfs/dbraw/zinc/01/85/56/297018556.db2.gz QKMCZYRYENLTHJ-UHFFFAOYSA-N -1 3 310.825 2.994 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000436647842 297020917 /nfs/dbraw/zinc/02/09/17/297020917.db2.gz LXRODXDKKOIFAO-AMXDTQDGSA-N -1 3 317.410 2.929 20 0 DFADHM CC(C)COc1ccc(NC(=O)c2c([O-])cccc2O)cn1 ZINC000436647797 297021160 /nfs/dbraw/zinc/02/11/60/297021160.db2.gz LKLCUWOUHULVNE-UHFFFAOYSA-N -1 3 302.330 2.780 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](C)Cc2c(C)noc2C)cc1[O-] ZINC000436649434 297021458 /nfs/dbraw/zinc/02/14/58/297021458.db2.gz SHRJLWOEMJSRLX-SECBINFHSA-N -1 3 316.357 2.561 20 0 DFADHM C[C@H](NC(=O)c1c([O-])cccc1O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000436650421 297021500 /nfs/dbraw/zinc/02/15/00/297021500.db2.gz ZXHIDUVQOWXKRZ-PSVSLLHZSA-N -1 3 313.353 2.781 20 0 DFADHM CC(C)(C)OC(=O)CCCCCNC(=O)c1c([O-])cccc1O ZINC000436649372 297021672 /nfs/dbraw/zinc/02/16/72/297021672.db2.gz RIQPYHDLPRZSOE-UHFFFAOYSA-N -1 3 323.389 2.730 20 0 DFADHM C[C@H]1COCC[C@@H]1CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436656605 297021818 /nfs/dbraw/zinc/02/18/18/297021818.db2.gz RBNUOMANPZBAEX-SWLSCSKDSA-N -1 3 303.402 2.673 20 0 DFADHM CCOC(=O)c1cnc(C)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436653105 297021891 /nfs/dbraw/zinc/02/18/91/297021891.db2.gz SKDIQCYODBINJN-UHFFFAOYSA-N -1 3 314.341 2.833 20 0 DFADHM C[C@@H]1COCC[C@H]1CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436656601 297022056 /nfs/dbraw/zinc/02/20/56/297022056.db2.gz RBNUOMANPZBAEX-DOMZBBRYSA-N -1 3 303.402 2.673 20 0 DFADHM COc1ccc(C(=O)NCc2c(F)cc(F)cc2F)c([O-])c1 ZINC000436652755 297022116 /nfs/dbraw/zinc/02/21/16/297022116.db2.gz QMIKANPVUMYBEB-UHFFFAOYSA-N -1 3 311.259 2.748 20 0 DFADHM CCn1ccnc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000436705156 297026914 /nfs/dbraw/zinc/02/69/14/297026914.db2.gz OFLBSPGCNRNZGJ-UHFFFAOYSA-N -1 3 310.151 2.623 20 0 DFADHM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1c([O-])cccc1O ZINC000436667286 297023185 /nfs/dbraw/zinc/02/31/85/297023185.db2.gz XBLIBPNMDKCDIO-XJKSGUPXSA-N -1 3 313.353 2.748 20 0 DFADHM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1c([O-])cccc1O ZINC000436670879 297023400 /nfs/dbraw/zinc/02/34/00/297023400.db2.gz HEKBADFIYMIVLX-GFCCVEGCSA-N -1 3 305.374 2.710 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2[O-])C12CCCCC2 ZINC000436670686 297023746 /nfs/dbraw/zinc/02/37/46/297023746.db2.gz RZINYNGABLUQJI-HZPDHXFCSA-N -1 3 319.401 2.956 20 0 DFADHM CCN(CCNC(=O)c1ccc(O)cc1[O-])c1cccc(C)c1 ZINC000436674611 297024210 /nfs/dbraw/zinc/02/42/10/297024210.db2.gz QZFYIUNBKZFEMQ-UHFFFAOYSA-N -1 3 314.385 2.663 20 0 DFADHM Cc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c([O-])c1 ZINC000436704720 297026951 /nfs/dbraw/zinc/02/69/51/297026951.db2.gz MQWCNWIMAJYULK-MRXNPFEDSA-N -1 3 301.386 2.732 20 0 DFADHM CC(C)[C@@H](O)C1(CNC(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000436682993 297024705 /nfs/dbraw/zinc/02/47/05/297024705.db2.gz SAZSGQZYZQZHRW-QGZVFWFLSA-N -1 3 317.429 2.798 20 0 DFADHM COc1cc(-c2nc(Cc3cscn3)no2)cc(OC)c1[O-] ZINC000436692159 297025489 /nfs/dbraw/zinc/02/54/89/297025489.db2.gz WQSOJOPJJJVYFK-UHFFFAOYSA-N -1 3 319.342 2.507 20 0 DFADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c([O-])c1 ZINC000436692224 297025624 /nfs/dbraw/zinc/02/56/24/297025624.db2.gz WAWVVKFRCBAMQU-OKILXGFUSA-N -1 3 320.433 2.736 20 0 DFADHM COc1cccc(C(=O)NCc2ccc3ccccc3n2)c1[O-] ZINC000436703087 297026384 /nfs/dbraw/zinc/02/63/84/297026384.db2.gz FYSMQRLCXNSVEA-UHFFFAOYSA-N -1 3 308.337 2.879 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CC[C@](F)(c2ccccc2F)C1 ZINC000436744474 297031051 /nfs/dbraw/zinc/03/10/51/297031051.db2.gz MPHBZNZBHYZANA-QGZVFWFLSA-N -1 3 319.307 2.948 20 0 DFADHM Cc1[nH]nc2nc(C)cc(C(=O)Nc3ccc([O-])cc3F)c12 ZINC000436749287 297031252 /nfs/dbraw/zinc/03/12/52/297031252.db2.gz SKZYRBGLDYVNKX-UHFFFAOYSA-N -1 3 300.293 2.672 20 0 DFADHM C[C@@H](O)C(C)(C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436713866 297027382 /nfs/dbraw/zinc/02/73/82/297027382.db2.gz KLHRAEBQENAGOJ-CYBMUJFWSA-N -1 3 313.397 2.872 20 0 DFADHM CCOC(=O)CC1(NC(=O)c2ccc([O-])c(CC)c2)CCCC1 ZINC000436709954 297027390 /nfs/dbraw/zinc/02/73/90/297027390.db2.gz PXLXEZBQXADHNP-UHFFFAOYSA-N -1 3 319.401 2.950 20 0 DFADHM O=C(NCCc1ccc2ccccc2n1)c1ccc(O)cc1[O-] ZINC000436711942 297027428 /nfs/dbraw/zinc/02/74/28/297027428.db2.gz CTJIXCPHJPPJKO-UHFFFAOYSA-N -1 3 308.337 2.619 20 0 DFADHM CSc1cccc(F)c1CNC(=O)c1c([O-])cccc1O ZINC000436715218 297028023 /nfs/dbraw/zinc/02/80/23/297028023.db2.gz WQIHZJRIDFOCCR-UHFFFAOYSA-N -1 3 307.346 2.889 20 0 DFADHM CC(C)CN1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000436720399 297028310 /nfs/dbraw/zinc/02/83/10/297028310.db2.gz JIYOABNJHRFLDF-UHFFFAOYSA-N -1 3 316.445 2.685 20 0 DFADHM CC(C)[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCN1C ZINC000436729277 297028918 /nfs/dbraw/zinc/02/89/18/297028918.db2.gz RKIPMANHGAQBKX-QGZVFWFLSA-N -1 3 312.413 2.958 20 0 DFADHM Cc1ccc(C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC000436733590 297029651 /nfs/dbraw/zinc/02/96/51/297029651.db2.gz XHJSZEWFARCLAO-QGZVFWFLSA-N -1 3 324.424 2.700 20 0 DFADHM C[C@H]1CSCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436736521 297029851 /nfs/dbraw/zinc/02/98/51/297029851.db2.gz IVSZXFIWTVDEGM-LLVKDONJSA-N -1 3 321.442 2.931 20 0 DFADHM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc(C)cc2[O-])[nH]1 ZINC000436734289 297030126 /nfs/dbraw/zinc/03/01/26/297030126.db2.gz CMQNHGWRCSQMDB-MNOVXSKESA-N -1 3 302.378 2.823 20 0 DFADHM Cc1cccc(C(=O)NC[C@H](CO)c2ccccc2Cl)c1[O-] ZINC000436737215 297030129 /nfs/dbraw/zinc/03/01/29/297030129.db2.gz IVIXISYRLBDZJI-GFCCVEGCSA-N -1 3 319.788 2.860 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N[C@@H]3CCCCC[C@H]3O)c([O-])c2O1 ZINC000436737922 297030164 /nfs/dbraw/zinc/03/01/64/297030164.db2.gz KPAKWAUHNJOXCE-ZIAGYGMSSA-N -1 3 319.401 2.529 20 0 DFADHM CC(C)c1ccc(C(=O)NCc2cccc(C(N)=O)c2)c([O-])c1 ZINC000436763702 297032545 /nfs/dbraw/zinc/03/25/45/297032545.db2.gz MDTMXAFFXGPKIO-UHFFFAOYSA-N -1 3 312.369 2.545 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC[C@H](O)CC2)c([O-])c1 ZINC000436792268 297034477 /nfs/dbraw/zinc/03/44/77/297034477.db2.gz MVVSHSAWQOTNDG-ZDUSSCGKSA-N -1 3 307.390 2.558 20 0 DFADHM Cc1ccc(C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)c([O-])c1C ZINC000436787046 297034502 /nfs/dbraw/zinc/03/45/02/297034502.db2.gz MBESBJNHDMUSDK-FUHWJXTLSA-N -1 3 301.386 2.793 20 0 DFADHM CCCCn1cc(CNC(=O)c2ccc(OC)cc2[O-])c(C)n1 ZINC000436789282 297034551 /nfs/dbraw/zinc/03/45/51/297034551.db2.gz BFOZHFIXTOYUQP-UHFFFAOYSA-N -1 3 317.389 2.636 20 0 DFADHM CCc1cnccc1[C@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC000436792568 297034775 /nfs/dbraw/zinc/03/47/75/297034775.db2.gz NUFXINPZJKAFGT-NSHDSACASA-N -1 3 300.358 2.849 20 0 DFADHM COC(=O)c1cccc(NC(=O)c2ccccc2C(C)=O)c1[O-] ZINC000436801303 297035258 /nfs/dbraw/zinc/03/52/58/297035258.db2.gz AYDJWZSOAMRLQG-UHFFFAOYSA-N -1 3 313.309 2.634 20 0 DFADHM COc1cccc(C(=O)Nc2ccc(OC(C)C)nc2)c1[O-] ZINC000436823985 297037428 /nfs/dbraw/zinc/03/74/28/297037428.db2.gz DZESWOJRJXNKNQ-UHFFFAOYSA-N -1 3 302.330 2.835 20 0 DFADHM COCCN(C(=O)c1ccc(C)c(C)c1[O-])[C@@H]1CCCSC1 ZINC000436809669 297036101 /nfs/dbraw/zinc/03/61/01/297036101.db2.gz PDVBWOZAQLSTBW-CQSZACIVSA-N -1 3 323.458 2.993 20 0 DFADHM CCN(CCN1CCCCCC1)C(=O)c1c([O-])cccc1F ZINC000436815402 297036651 /nfs/dbraw/zinc/03/66/51/297036651.db2.gz VTKJTLPKNRMDMY-UHFFFAOYSA-N -1 3 308.397 2.869 20 0 DFADHM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])CCCN1C ZINC000436824789 297037642 /nfs/dbraw/zinc/03/76/42/297037642.db2.gz DBGRIWGLICRTQE-KCJUWKMLSA-N -1 3 317.216 2.912 20 0 DFADHM COc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000436824805 297037700 /nfs/dbraw/zinc/03/77/00/297037700.db2.gz DFSYATCLHHVRFQ-SCZZXKLOSA-N -1 3 303.280 2.814 20 0 DFADHM CCc1ccc(C(=O)N[C@@](C)(COC)C(F)(F)F)c([O-])c1 ZINC000436831386 297037984 /nfs/dbraw/zinc/03/79/84/297037984.db2.gz FWYZMNTVBSAOLN-ZDUSSCGKSA-N -1 3 305.296 2.652 20 0 DFADHM CCc1ccc(C(=O)NC2(C(N)=O)CCC(C)(C)CC2)c([O-])c1 ZINC000436828669 297038123 /nfs/dbraw/zinc/03/81/23/297038123.db2.gz JCRRFWIQHWHICW-UHFFFAOYSA-N -1 3 318.417 2.509 20 0 DFADHM COCC[C@H](Cc1ccco1)NC(=O)c1ccc([O-])c(C)c1 ZINC000436831694 297038623 /nfs/dbraw/zinc/03/86/23/297038623.db2.gz YJVAOMRDVNGGAK-CQSZACIVSA-N -1 3 303.358 2.671 20 0 DFADHM [O-]c1ccccc1-c1nc(-c2cn(Cc3ccccc3)nn2)no1 ZINC000436842412 297039167 /nfs/dbraw/zinc/03/91/67/297039167.db2.gz VWLVBROISJZFRD-UHFFFAOYSA-N -1 3 319.324 2.749 20 0 DFADHM CCc1ccc(C(=O)NCCSCC(F)(F)F)c([O-])c1 ZINC000436841676 297039235 /nfs/dbraw/zinc/03/92/35/297039235.db2.gz UJZYMTXCBHDIBB-UHFFFAOYSA-N -1 3 307.337 2.980 20 0 DFADHM Cc1ccc(C[C@@H](CO)NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436848921 297039820 /nfs/dbraw/zinc/03/98/20/297039820.db2.gz XLQSXHKPEZVJEC-INIZCTEOSA-N -1 3 313.397 2.651 20 0 DFADHM Cc1nnsc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000436852553 297040162 /nfs/dbraw/zinc/04/01/62/297040162.db2.gz AINYSRKQRYMMOM-UHFFFAOYSA-N -1 3 319.264 2.703 20 0 DFADHM COc1cccc(C2(NC(=O)c3cccc(OC)c3[O-])CC2)c1 ZINC000436862953 297040927 /nfs/dbraw/zinc/04/09/27/297040927.db2.gz GXNCBDGXUMIZKZ-UHFFFAOYSA-N -1 3 313.353 2.829 20 0 DFADHM COC(=O)C[C@H](NC(=O)c1ccc([O-])c(C)c1)c1ccccc1 ZINC000436904877 297043551 /nfs/dbraw/zinc/04/35/51/297043551.db2.gz QUYLQGJLGWVNHZ-HNNXBMFYSA-N -1 3 313.353 2.735 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1[O-] ZINC000436871470 297041091 /nfs/dbraw/zinc/04/10/91/297041091.db2.gz UBKMOEURJBIPOL-INIZCTEOSA-N -1 3 310.353 2.967 20 0 DFADHM COc1cccc2c1nc(NC(=O)c1ccc(C)cc1[O-])n2C ZINC000436876446 297041610 /nfs/dbraw/zinc/04/16/10/297041610.db2.gz YWLGPFKZEZKUSJ-UHFFFAOYSA-N -1 3 311.341 2.848 20 0 DFADHM CN(C(=O)c1ccc(O)cc1[O-])C1C2CC3CC(C2)CC1C3 ZINC000436902735 297043617 /nfs/dbraw/zinc/04/36/17/297043617.db2.gz GLESRMAJWFBENM-UHFFFAOYSA-N -1 3 301.386 2.995 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(NC(N)=O)c2)c([O-])c1 ZINC000436887295 297042142 /nfs/dbraw/zinc/04/21/42/297042142.db2.gz WVNVDMFAFHKYEL-UHFFFAOYSA-N -1 3 303.293 2.583 20 0 DFADHM CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436896279 297042861 /nfs/dbraw/zinc/04/28/61/297042861.db2.gz RMQUCSRYEAUQOJ-GFCCVEGCSA-N -1 3 307.390 2.929 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC(=O)[C@H](C)C2)c([O-])c1 ZINC000436906826 297044080 /nfs/dbraw/zinc/04/40/80/297044080.db2.gz FEXMFOUZAMVGAV-GFCCVEGCSA-N -1 3 305.374 2.622 20 0 DFADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(=O)CC1 ZINC000436908991 297044084 /nfs/dbraw/zinc/04/40/84/297044084.db2.gz XEIKEIKKEPVFMF-UHFFFAOYSA-N -1 3 311.337 2.990 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c([O-])c1C ZINC000436907012 297044111 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CC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1[O-] ZINC000412139419 295592805 /nfs/dbraw/zinc/59/28/05/295592805.db2.gz RXFOCECDUONMQT-NVXWUHKLSA-N -1 3 309.365 2.956 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](OCC3CC3)C2)cc1[O-] ZINC000412262510 295606442 /nfs/dbraw/zinc/60/64/42/295606442.db2.gz REOSXBKEQAHPQD-HNNXBMFYSA-N -1 3 317.385 2.626 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)[C@@H](C)[C@@H](C)O1 ZINC000438395362 297091339 /nfs/dbraw/zinc/09/13/39/297091339.db2.gz JUCMUSXWBMBCIM-GRYCIOLGSA-N -1 3 319.401 2.744 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)[n-]c(=O)n1 ZINC000438669825 297102286 /nfs/dbraw/zinc/10/22/86/297102286.db2.gz BIBIQLQVDNOFHP-LSDHHAIUSA-N -1 3 311.385 2.632 20 0 DFADHM CC(C)(C)OC(=O)CCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000439336813 297123432 /nfs/dbraw/zinc/12/34/32/297123432.db2.gz MXQWJWXWVRRCOS-UHFFFAOYSA-N -1 3 319.401 2.733 20 0 DFADHM Cc1ccc(-c2ccnn2C)cc1NC(=O)[N-]c1cnns1 ZINC000439368341 297123860 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CCOc1ccc(CNC(=O)c2ccc([O-])c(OC)c2)cc1F ZINC000442652448 297199193 /nfs/dbraw/zinc/19/91/93/297199193.db2.gz SYWZKLDVOUXOHE-UHFFFAOYSA-N -1 3 319.332 2.869 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CCOc3ccc(F)cc32)ccc1[O-] ZINC000442647262 297199208 /nfs/dbraw/zinc/19/92/08/297199208.db2.gz HSTZEPKHEKQTOY-CYBMUJFWSA-N -1 3 317.316 2.794 20 0 DFADHM COc1cc(C(=O)N(C)CCCC(=O)OC(C)(C)C)ccc1[O-] ZINC000442656466 297199412 /nfs/dbraw/zinc/19/94/12/297199412.db2.gz UFNUKVKAYFAWEV-UHFFFAOYSA-N -1 3 323.389 2.595 20 0 DFADHM COc1cc(C(=O)NCc2nc3c(s2)CCCC3)ccc1[O-] ZINC000442657419 297199552 /nfs/dbraw/zinc/19/95/52/297199552.db2.gz YGCBFMLJCXTKFD-UHFFFAOYSA-N -1 3 318.398 2.666 20 0 DFADHM CC[C@H](NC(=O)c1ccc([O-])c(OC)c1)c1c(C)nn(C)c1C ZINC000442661551 297199914 /nfs/dbraw/zinc/19/99/14/297199914.db2.gz CEIOOLJRUOBJRP-ZDUSSCGKSA-N -1 3 317.389 2.632 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@H]1CCSC1 ZINC000442802244 297207558 /nfs/dbraw/zinc/20/75/58/297207558.db2.gz RNZQSBXVMMUATL-ZETCQYMHSA-N -1 3 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[O-]c1cccc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1Cl ZINC000449667391 317049514 /nfs/dbraw/zinc/04/95/14/317049514.db2.gz FSOIBOSYRLUTGX-SKDRFNHKSA-N -1 3 309.715 2.791 20 0 DFADHM CN(C)c1cccc(CN(C)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000450171952 317065353 /nfs/dbraw/zinc/06/53/53/317065353.db2.gz JLBYKJBCCJMKIB-UHFFFAOYSA-N -1 3 316.376 2.798 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C2(C)CCC(=O)CC2)c([O-])c1 ZINC000450410752 317090729 /nfs/dbraw/zinc/09/07/29/317090729.db2.gz MIAMNONYFRGTNW-UHFFFAOYSA-N -1 3 319.357 2.657 20 0 DFADHM CCc1cnc(S(=O)(=O)Cc2cccc(F)c2Cl)[n-]1 ZINC000453028220 317155674 /nfs/dbraw/zinc/15/56/74/317155674.db2.gz MZIROHCUGBUURG-UHFFFAOYSA-N -1 3 302.758 2.739 20 0 DFADHM CCc1c[n-]c(S(=O)(=O)Cc2cccc(F)c2Cl)n1 ZINC000453028220 317155675 /nfs/dbraw/zinc/15/56/75/317155675.db2.gz MZIROHCUGBUURG-UHFFFAOYSA-N -1 3 302.758 2.739 20 0 DFADHM CO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc([O-])c(F)c2)C12CCC2 ZINC000458420021 317275626 /nfs/dbraw/zinc/27/56/26/317275626.db2.gz 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O=C([O-])[C@@H](CNCc1cccc(F)c1F)Cc1ccccc1 ZINC000683170830 545983872 /nfs/dbraw/zinc/98/38/72/545983872.db2.gz CVFOVVIOTSOXSD-CQSZACIVSA-N -1 3 305.324 2.998 20 0 DFADHM CCc1ccc(C(=O)N[C@H]2CCc3cc(O)ccc3C2)c([O-])c1 ZINC000683510268 546047427 /nfs/dbraw/zinc/04/74/27/546047427.db2.gz UJJXZYPWLFMTMK-HNNXBMFYSA-N -1 3 311.381 2.948 20 0 DFADHM O=c1[n-]nc(S[C@@H]2CCc3ccccc32)n1C[C@H]1CCCO1 ZINC000683737629 546084455 /nfs/dbraw/zinc/08/44/55/546084455.db2.gz RKNRPUZFZWRNHM-TZMCWYRMSA-N -1 3 317.414 2.942 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](c3ccnc(C)n3)C2)n1 ZINC000684088679 546148916 /nfs/dbraw/zinc/14/89/16/546148916.db2.gz IZAAXMQZSIYFMI-GXTWGEPZSA-N -1 3 313.405 2.530 20 0 DFADHM CN1CCCC(C)(C)[C@H]1CNC(=O)c1c([O-])cc(F)cc1F ZINC000684156159 546159948 /nfs/dbraw/zinc/15/99/48/546159948.db2.gz XQJAWGFXGXSINY-CYBMUJFWSA-N -1 3 312.360 2.521 20 0 DFADHM O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1csc(=O)[n-]1 ZINC000684287238 546189034 /nfs/dbraw/zinc/18/90/34/546189034.db2.gz IOGHHLBDRVOKMN-YUMQZZPRSA-N -1 3 308.325 2.947 20 0 DFADHM CC(C)Oc1ncc(C(=O)NCc2ncccc2[O-])cc1Cl ZINC000684349179 546197456 /nfs/dbraw/zinc/19/74/56/546197456.db2.gz BLZWUEFGDMRQBS-UHFFFAOYSA-N -1 3 321.764 2.553 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ncccc2[O-])o1 ZINC000684350527 546197584 /nfs/dbraw/zinc/19/75/84/546197584.db2.gz RRCPCDQSYPLALT-YPMHNXCESA-N -1 3 300.358 2.753 20 0 DFADHM O=C(NCC[C@H]1CCCO1)c1cc([O-])ccc1C(F)(F)F ZINC000684374972 546203916 /nfs/dbraw/zinc/20/39/16/546203916.db2.gz USRJNKNBYSGZCJ-SNVBAGLBSA-N -1 3 303.280 2.710 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC[C@H](CCO)C1 ZINC000684463507 546225201 /nfs/dbraw/zinc/22/52/01/546225201.db2.gz BCXWZNDIWKQGAN-SNVBAGLBSA-N -1 3 317.307 2.646 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1ccccc1-c1ccno1)C(F)F ZINC000684597392 546249436 /nfs/dbraw/zinc/24/94/36/546249436.db2.gz JUKOHODHJWGFCQ-UHFFFAOYSA-N -1 3 316.329 2.664 20 0 DFADHM O=c1cc(CSc2nnc(-c3ccc(F)cc3)o2)occ1[O-] ZINC000684688125 546263060 /nfs/dbraw/zinc/26/30/60/546263060.db2.gz DPPIRZPYNGOOCF-UHFFFAOYSA-N -1 3 320.301 2.827 20 0 DFADHM COc1cccc2c(C(=O)Nc3cccc4c3OCO4)[n-]nc21 ZINC000685463538 546354397 /nfs/dbraw/zinc/35/43/97/546354397.db2.gz VSAFCXATFFVCDS-UHFFFAOYSA-N -1 3 311.297 2.553 20 0 DFADHM COc1cccc2c(C(=O)Nc3cccc4c3OCO4)n[n-]c21 ZINC000685463538 546354398 /nfs/dbraw/zinc/35/43/98/546354398.db2.gz VSAFCXATFFVCDS-UHFFFAOYSA-N -1 3 311.297 2.553 20 0 DFADHM O=C(NC1CCN(CC(F)F)CC1)c1cc([O-])ccc1Cl ZINC000685674460 546383143 /nfs/dbraw/zinc/38/31/43/546383143.db2.gz FUHUCANGJPAPPT-UHFFFAOYSA-N -1 3 318.751 2.505 20 0 DFADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000685758111 546388147 /nfs/dbraw/zinc/38/81/47/546388147.db2.gz FCFUVEALSUVKII-QFBILLFUSA-N -1 3 318.380 2.932 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@@H](C(F)(F)F)O1 ZINC000685768176 546388854 /nfs/dbraw/zinc/38/88/54/546388854.db2.gz FWRZKHKZOWWDMT-HQJQHLMTSA-N -1 3 323.698 2.837 20 0 DFADHM O=C(NCCc1ccc(CO)cc1)c1cc([O-])ccc1Cl ZINC000685814416 546393268 /nfs/dbraw/zinc/39/32/68/546393268.db2.gz XCDGOOUUMBFTSY-UHFFFAOYSA-N -1 3 305.761 2.510 20 0 DFADHM Cn1cnc2c1CCN(Cc1cc([O-])cc(C(F)(F)F)c1)C2 ZINC000685832927 546395453 /nfs/dbraw/zinc/39/54/53/546395453.db2.gz NUOPLTIFABAVPE-UHFFFAOYSA-N -1 3 311.307 2.703 20 0 DFADHM Cc1cc(C)n(-c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000737257817 598823766 /nfs/dbraw/zinc/82/37/66/598823766.db2.gz ZHGZLHZRWVGPGY-UHFFFAOYSA-N -1 3 308.267 2.688 20 0 DFADHM Cc1cc(C)n(-c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000737257817 598823768 /nfs/dbraw/zinc/82/37/68/598823768.db2.gz ZHGZLHZRWVGPGY-UHFFFAOYSA-N -1 3 308.267 2.688 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000736243561 598838261 /nfs/dbraw/zinc/83/82/61/598838261.db2.gz WGPZSVZTHKQEHW-GYSYKLTISA-N -1 3 314.393 2.813 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000736243561 598838263 /nfs/dbraw/zinc/83/82/63/598838263.db2.gz WGPZSVZTHKQEHW-GYSYKLTISA-N -1 3 314.393 2.813 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000736243568 598838317 /nfs/dbraw/zinc/83/83/17/598838317.db2.gz WGPZSVZTHKQEHW-SUNKGSAMSA-N -1 3 314.393 2.813 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000736243568 598838321 /nfs/dbraw/zinc/83/83/21/598838321.db2.gz WGPZSVZTHKQEHW-SUNKGSAMSA-N -1 3 314.393 2.813 20 0 DFADHM COc1ccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737103888 598851189 /nfs/dbraw/zinc/85/11/89/598851189.db2.gz KGXIETPJEOQOSK-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM COc1ccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737103888 598851190 /nfs/dbraw/zinc/85/11/90/598851190.db2.gz KGXIETPJEOQOSK-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM CC(C)[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000735734133 598855025 /nfs/dbraw/zinc/85/50/25/598855025.db2.gz KKDAGXQSWVMHPV-HNNXBMFYSA-N -1 3 323.356 2.816 20 0 DFADHM CC(C)[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000735734133 598855026 /nfs/dbraw/zinc/85/50/26/598855026.db2.gz KKDAGXQSWVMHPV-HNNXBMFYSA-N -1 3 323.356 2.816 20 0 DFADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)Oc1ccccc1 ZINC000736025288 598869275 /nfs/dbraw/zinc/86/92/75/598869275.db2.gz FSWBQOLHGFHVBA-LLVKDONJSA-N -1 3 313.336 2.885 20 0 DFADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)Oc1ccccc1 ZINC000736025288 598869276 /nfs/dbraw/zinc/86/92/76/598869276.db2.gz FSWBQOLHGFHVBA-LLVKDONJSA-N -1 3 313.336 2.885 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)C1CCCC1 ZINC000737291729 598880202 /nfs/dbraw/zinc/88/02/02/598880202.db2.gz NZVOPHFDOGDHLE-NSHDSACASA-N -1 3 314.393 2.875 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)C1CCCC1 ZINC000737291729 598880203 /nfs/dbraw/zinc/88/02/03/598880203.db2.gz NZVOPHFDOGDHLE-NSHDSACASA-N -1 3 314.393 2.875 20 0 DFADHM CCCCCC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736441805 598886079 /nfs/dbraw/zinc/88/60/79/598886079.db2.gz UYUYHFRPUXVCPS-LBPRGKRZSA-N -1 3 318.377 2.758 20 0 DFADHM CCCCCC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736441805 598886081 /nfs/dbraw/zinc/88/60/81/598886081.db2.gz UYUYHFRPUXVCPS-LBPRGKRZSA-N -1 3 318.377 2.758 20 0 DFADHM C[C@@H]1CC(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000736224105 598888752 /nfs/dbraw/zinc/88/87/52/598888752.db2.gz LMKOYCPLCCEUAT-QWRGUYRKSA-N -1 3 314.393 2.813 20 0 DFADHM C[C@@H]1CC(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000736224105 598888754 /nfs/dbraw/zinc/88/87/54/598888754.db2.gz LMKOYCPLCCEUAT-QWRGUYRKSA-N -1 3 314.393 2.813 20 0 DFADHM Clc1cncc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737583441 599529047 /nfs/dbraw/zinc/52/90/47/599529047.db2.gz KWINWCUGYJUEFC-UHFFFAOYSA-N -1 3 309.116 2.756 20 0 DFADHM Clc1cncc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737583441 599529050 /nfs/dbraw/zinc/52/90/50/599529050.db2.gz KWINWCUGYJUEFC-UHFFFAOYSA-N -1 3 309.116 2.756 20 0 DFADHM CCCC(O)(CCC)CNc1cccc(F)c1-c1nn[n-]n1 ZINC000736436459 599530521 /nfs/dbraw/zinc/53/05/21/599530521.db2.gz RCEVSHLDARLMIK-UHFFFAOYSA-N -1 3 307.373 2.749 20 0 DFADHM O=C(NCc1coc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000738124787 598909901 /nfs/dbraw/zinc/90/99/01/598909901.db2.gz RXTLJZLZIOLEEL-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM O=C(NCc1coc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000738124787 598909902 /nfs/dbraw/zinc/90/99/02/598909902.db2.gz RXTLJZLZIOLEEL-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM Fc1ccc(F)c(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737657957 598941735 /nfs/dbraw/zinc/94/17/35/598941735.db2.gz ALPQGFFISLREHN-UHFFFAOYSA-N -1 3 309.663 2.986 20 0 DFADHM Fc1ccc(F)c(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737657957 598941736 /nfs/dbraw/zinc/94/17/36/598941736.db2.gz ALPQGFFISLREHN-UHFFFAOYSA-N -1 3 309.663 2.986 20 0 DFADHM CC[C@H]1CCC[C@@H](NC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736400162 598942500 /nfs/dbraw/zinc/94/25/00/598942500.db2.gz MOXFDDQAVWULBP-VHSXEESVSA-N -1 3 305.407 2.627 20 0 DFADHM CC[C@H]1CCC[C@@H](NC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736400162 598942502 /nfs/dbraw/zinc/94/25/02/598942502.db2.gz MOXFDDQAVWULBP-VHSXEESVSA-N -1 3 305.407 2.627 20 0 DFADHM Cc1nnc(N2CCC[C@H](C(C)C)CC2)c(-c2nnn[n-]2)c1C ZINC000737521803 598944128 /nfs/dbraw/zinc/94/41/28/598944128.db2.gz NTVLOLKUAJAONV-ZDUSSCGKSA-N -1 3 315.425 2.536 20 0 DFADHM Cc1nnc(N2CCC[C@H](C(C)C)CC2)c(-c2nn[n-]n2)c1C ZINC000737521803 598944130 /nfs/dbraw/zinc/94/41/30/598944130.db2.gz NTVLOLKUAJAONV-ZDUSSCGKSA-N -1 3 315.425 2.536 20 0 DFADHM CCc1c(C)sc(NC(=O)CCC2CC2)c1-c1nnn[n-]1 ZINC000736669304 599001312 /nfs/dbraw/zinc/00/13/12/599001312.db2.gz CSDFOLGPGDUMKR-UHFFFAOYSA-N -1 3 305.407 2.928 20 0 DFADHM CCc1c(C)sc(NC(=O)CCC2CC2)c1-c1nn[n-]n1 ZINC000736669304 599001314 /nfs/dbraw/zinc/00/13/14/599001314.db2.gz CSDFOLGPGDUMKR-UHFFFAOYSA-N -1 3 305.407 2.928 20 0 DFADHM C[C@H]1CCC[C@H](CCNC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736252128 599016905 /nfs/dbraw/zinc/01/69/05/599016905.db2.gz PKZFXODTADNBGB-WDEREUQCSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@H]1CCC[C@H](CCNC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736252128 599016907 /nfs/dbraw/zinc/01/69/07/599016907.db2.gz PKZFXODTADNBGB-WDEREUQCSA-N -1 3 319.434 2.874 20 0 DFADHM COc1ccc(F)cc1CNc1cccc(-c2nnn[n-]2)c1C ZINC000821827498 607257196 /nfs/dbraw/zinc/25/71/96/607257196.db2.gz DBOKGBGXLKBCFT-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(F)cc1CNc1cccc(-c2nn[n-]n2)c1C ZINC000821827498 607257197 /nfs/dbraw/zinc/25/71/97/607257197.db2.gz DBOKGBGXLKBCFT-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM CCCCN(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736453934 599036928 /nfs/dbraw/zinc/03/69/28/599036928.db2.gz UIZUSYKKLLFQEZ-UHFFFAOYSA-N -1 3 300.288 2.517 20 0 DFADHM CCCCN(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736453934 599036931 /nfs/dbraw/zinc/03/69/31/599036931.db2.gz UIZUSYKKLLFQEZ-UHFFFAOYSA-N -1 3 300.288 2.517 20 0 DFADHM CCN(CC(C)C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736512899 599044237 /nfs/dbraw/zinc/04/42/37/599044237.db2.gz LZBQSRSOKAFYQG-UHFFFAOYSA-N -1 3 314.315 2.763 20 0 DFADHM CCN(CC(C)C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736512899 599044240 /nfs/dbraw/zinc/04/42/40/599044240.db2.gz LZBQSRSOKAFYQG-UHFFFAOYSA-N -1 3 314.315 2.763 20 0 DFADHM Fc1ccc(N2CCOC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822779586 599055170 /nfs/dbraw/zinc/05/51/70/599055170.db2.gz XTRXVXZCKDUBHF-UHFFFAOYSA-N -1 3 317.368 2.545 20 0 DFADHM Fc1ccc(N2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822779586 599055171 /nfs/dbraw/zinc/05/51/71/599055171.db2.gz XTRXVXZCKDUBHF-UHFFFAOYSA-N -1 3 317.368 2.545 20 0 DFADHM Cc1nc(C)c(F)c(Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822432121 599058405 /nfs/dbraw/zinc/05/84/05/599058405.db2.gz XTOILNUDBCWMEB-UHFFFAOYSA-N -1 3 320.328 2.703 20 0 DFADHM Cc1nc(C)c(F)c(Sc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822432121 599058407 /nfs/dbraw/zinc/05/84/07/599058407.db2.gz XTOILNUDBCWMEB-UHFFFAOYSA-N -1 3 320.328 2.703 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cnc2ccccc2n1 ZINC000822761642 599070448 /nfs/dbraw/zinc/07/04/48/599070448.db2.gz QKOUHNDWJQWKHV-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cnc2ccccc2n1 ZINC000822761642 599070450 /nfs/dbraw/zinc/07/04/50/599070450.db2.gz QKOUHNDWJQWKHV-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736246062 599072530 /nfs/dbraw/zinc/07/25/30/599072530.db2.gz YJXQKDBURIJCNP-ZYHUDNBSSA-N -1 3 317.368 2.795 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736246062 599072532 /nfs/dbraw/zinc/07/25/32/599072532.db2.gz YJXQKDBURIJCNP-ZYHUDNBSSA-N -1 3 317.368 2.795 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2F)N(c2ncccc2-c2nnn[n-]2)C1 ZINC000820669193 599077218 /nfs/dbraw/zinc/07/72/18/599077218.db2.gz ZQYNHSCPEOJBLN-NHYWBVRUSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2F)N(c2ncccc2-c2nn[n-]n2)C1 ZINC000820669193 599077220 /nfs/dbraw/zinc/07/72/20/599077220.db2.gz ZQYNHSCPEOJBLN-NHYWBVRUSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC000736266816 599082909 /nfs/dbraw/zinc/08/29/09/599082909.db2.gz PISPRFNHFFATPW-GBYBRZQVSA-N -1 3 311.389 2.527 20 0 DFADHM C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC000736266816 599082911 /nfs/dbraw/zinc/08/29/11/599082911.db2.gz PISPRFNHFFATPW-GBYBRZQVSA-N -1 3 311.389 2.527 20 0 DFADHM CC[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CCS1 ZINC000820995155 599101866 /nfs/dbraw/zinc/10/18/66/599101866.db2.gz NPNRDRXPVPTQJR-SECBINFHSA-N -1 3 309.826 2.852 20 0 DFADHM CC[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CCS1 ZINC000820995155 599101868 /nfs/dbraw/zinc/10/18/68/599101868.db2.gz NPNRDRXPVPTQJR-SECBINFHSA-N -1 3 309.826 2.852 20 0 DFADHM CC(C)(C)c1nnc(CSc2ccccc2-c2nnn[n-]2)o1 ZINC000735654947 599107021 /nfs/dbraw/zinc/10/70/21/599107021.db2.gz LSDRMHWIFZDLAM-UHFFFAOYSA-N -1 3 316.390 2.840 20 0 DFADHM CC(C)(C)c1nnc(CSc2ccccc2-c2nn[n-]n2)o1 ZINC000735654947 599107023 /nfs/dbraw/zinc/10/70/23/599107023.db2.gz LSDRMHWIFZDLAM-UHFFFAOYSA-N -1 3 316.390 2.840 20 0 DFADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)c1nc(C2CC2)no1 ZINC000736190352 599109502 /nfs/dbraw/zinc/10/95/02/599109502.db2.gz DELWYNZOTQFIEZ-MRVPVSSYSA-N -1 3 314.374 2.980 20 0 DFADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)c1nc(C2CC2)no1 ZINC000736190352 599109504 /nfs/dbraw/zinc/10/95/04/599109504.db2.gz DELWYNZOTQFIEZ-MRVPVSSYSA-N -1 3 314.374 2.980 20 0 DFADHM CCO[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)C12CCC2 ZINC000736611985 599119419 /nfs/dbraw/zinc/11/94/19/599119419.db2.gz LDTCHJKVRDYBOZ-KBPBESRZSA-N -1 3 317.368 2.765 20 0 DFADHM CCc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nc(C)n1 ZINC000736678363 599120379 /nfs/dbraw/zinc/12/03/79/599120379.db2.gz YMMVYSZMABPJFZ-JTQLQIEISA-N -1 3 309.377 2.701 20 0 DFADHM CCCC[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)OC ZINC000821043461 599127394 /nfs/dbraw/zinc/12/73/94/599127394.db2.gz QDLLWYXYPSNXSC-LBPRGKRZSA-N -1 3 324.381 2.830 20 0 DFADHM CCCC[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)OC ZINC000821043461 599127396 /nfs/dbraw/zinc/12/73/96/599127396.db2.gz QDLLWYXYPSNXSC-LBPRGKRZSA-N -1 3 324.381 2.830 20 0 DFADHM C[C@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)C(C)(C)C ZINC000735571860 599144008 /nfs/dbraw/zinc/14/40/08/599144008.db2.gz LGUKDIGTKNSZRB-SECBINFHSA-N -1 3 306.341 2.731 20 0 DFADHM C[C@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)C(C)(C)C ZINC000735571860 599144010 /nfs/dbraw/zinc/14/40/10/599144010.db2.gz LGUKDIGTKNSZRB-SECBINFHSA-N -1 3 306.341 2.731 20 0 DFADHM CN(C)c1cccc(CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736778921 599164175 /nfs/dbraw/zinc/16/41/75/599164175.db2.gz INIGOOLYGHSQHK-UHFFFAOYSA-N -1 3 312.402 2.620 20 0 DFADHM CN(C)c1cccc(CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736778921 599164177 /nfs/dbraw/zinc/16/41/77/599164177.db2.gz INIGOOLYGHSQHK-UHFFFAOYSA-N -1 3 312.402 2.620 20 0 DFADHM Cc1ccc([C@H]2CCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737330031 599167080 /nfs/dbraw/zinc/16/70/80/599167080.db2.gz IBSZYWQDCZMODT-CQSZACIVSA-N -1 3 323.356 2.745 20 0 DFADHM Cc1ccc([C@H]2CCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737330031 599167083 /nfs/dbraw/zinc/16/70/83/599167083.db2.gz IBSZYWQDCZMODT-CQSZACIVSA-N -1 3 323.356 2.745 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1SCCc1cccnc1 ZINC000737643783 599169574 /nfs/dbraw/zinc/16/95/74/599169574.db2.gz FRLBRGKFBJYAJX-UHFFFAOYSA-N -1 3 301.350 2.736 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1SCCc1cccnc1 ZINC000737643783 599169575 /nfs/dbraw/zinc/16/95/75/599169575.db2.gz FRLBRGKFBJYAJX-UHFFFAOYSA-N -1 3 301.350 2.736 20 0 DFADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821034434 599193055 /nfs/dbraw/zinc/19/30/55/599193055.db2.gz MGPFFAUYCSYTAZ-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821034434 599193058 /nfs/dbraw/zinc/19/30/58/599193058.db2.gz MGPFFAUYCSYTAZ-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM CN(Cc1cccnc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821615656 599202142 /nfs/dbraw/zinc/20/21/42/599202142.db2.gz HOERSIQUNYGSTH-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1cccnc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821615656 599202144 /nfs/dbraw/zinc/20/21/44/599202144.db2.gz HOERSIQUNYGSTH-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000820741354 599205999 /nfs/dbraw/zinc/20/59/99/599205999.db2.gz CGUVKVHSPSRXSI-BLLLJJGKSA-N -1 3 319.368 2.700 20 0 DFADHM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000820741354 599206000 /nfs/dbraw/zinc/20/60/00/599206000.db2.gz CGUVKVHSPSRXSI-BLLLJJGKSA-N -1 3 319.368 2.700 20 0 DFADHM CC(C)C(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820026689 607260225 /nfs/dbraw/zinc/26/02/25/607260225.db2.gz LWJGMBCRPSBSKF-UHFFFAOYSA-N -1 3 302.382 2.669 20 0 DFADHM CC(C)C(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820026689 607260226 /nfs/dbraw/zinc/26/02/26/607260226.db2.gz LWJGMBCRPSBSKF-UHFFFAOYSA-N -1 3 302.382 2.669 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738023681 599227482 /nfs/dbraw/zinc/22/74/82/599227482.db2.gz IRZCEYGTXXUOJO-YWPYICTPSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738023681 599227483 /nfs/dbraw/zinc/22/74/83/599227483.db2.gz IRZCEYGTXXUOJO-YWPYICTPSA-N -1 3 311.389 2.565 20 0 DFADHM CCc1ccccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000821491955 607264442 /nfs/dbraw/zinc/26/44/42/607264442.db2.gz DSJVTIDTZGVZOW-UHFFFAOYSA-N -1 3 308.341 2.786 20 0 DFADHM CCc1ccccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000821491955 607264443 /nfs/dbraw/zinc/26/44/43/607264443.db2.gz DSJVTIDTZGVZOW-UHFFFAOYSA-N -1 3 308.341 2.786 20 0 DFADHM CC(C)C1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820038050 599242175 /nfs/dbraw/zinc/24/21/75/599242175.db2.gz JNEBCHXJXFCMFN-UHFFFAOYSA-N -1 3 314.393 2.767 20 0 DFADHM CC(C)C1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820038050 599242177 /nfs/dbraw/zinc/24/21/77/599242177.db2.gz JNEBCHXJXFCMFN-UHFFFAOYSA-N -1 3 314.393 2.767 20 0 DFADHM Cc1c(NC(=O)C=Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822068439 607271734 /nfs/dbraw/zinc/27/17/34/607271734.db2.gz SHEVYRNIMRMSKP-ZHACJKMWSA-N -1 3 305.341 2.827 20 0 DFADHM Cc1c(NC(=O)C=Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822068439 607271735 /nfs/dbraw/zinc/27/17/35/607271735.db2.gz SHEVYRNIMRMSKP-ZHACJKMWSA-N -1 3 305.341 2.827 20 0 DFADHM CN(C(=O)/C=C/C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000736731465 599248752 /nfs/dbraw/zinc/24/87/52/599248752.db2.gz DPPGUGRMIFXHDI-ZHACJKMWSA-N -1 3 311.389 2.966 20 0 DFADHM CN(C(=O)/C=C/C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000736731465 599248754 /nfs/dbraw/zinc/24/87/54/599248754.db2.gz DPPGUGRMIFXHDI-ZHACJKMWSA-N -1 3 311.389 2.966 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820967665 607280524 /nfs/dbraw/zinc/28/05/24/607280524.db2.gz SLUHIUFZZNGKBC-CMPLNLGQSA-N -1 3 314.393 2.827 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820967665 607280525 /nfs/dbraw/zinc/28/05/25/607280525.db2.gz SLUHIUFZZNGKBC-CMPLNLGQSA-N -1 3 314.393 2.827 20 0 DFADHM CC[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820979402 607287882 /nfs/dbraw/zinc/28/78/82/607287882.db2.gz HSOFDXXFBNMUNC-LLVKDONJSA-N -1 3 300.366 2.581 20 0 DFADHM CC[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820979402 607287883 /nfs/dbraw/zinc/28/78/83/607287883.db2.gz HSOFDXXFBNMUNC-LLVKDONJSA-N -1 3 300.366 2.581 20 0 DFADHM CC[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820978352 607288944 /nfs/dbraw/zinc/28/89/44/607288944.db2.gz AFUBBNSGIAPRNX-GFCCVEGCSA-N -1 3 314.393 2.972 20 0 DFADHM CC[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820978352 607288945 /nfs/dbraw/zinc/28/89/45/607288945.db2.gz AFUBBNSGIAPRNX-GFCCVEGCSA-N -1 3 314.393 2.972 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@@H](C)CC2)cccc1-c1nnn[n-]1 ZINC000822083971 607283200 /nfs/dbraw/zinc/28/32/00/607283200.db2.gz GGLCVEOWIGGWBM-LLVKDONJSA-N -1 3 314.393 2.829 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@@H](C)CC2)cccc1-c1nn[n-]n1 ZINC000822083971 607283201 /nfs/dbraw/zinc/28/32/01/607283201.db2.gz GGLCVEOWIGGWBM-LLVKDONJSA-N -1 3 314.393 2.829 20 0 DFADHM CC(C)OCCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820142817 607302800 /nfs/dbraw/zinc/30/28/00/607302800.db2.gz XHMUELYKLYXMGW-UHFFFAOYSA-N -1 3 312.377 2.642 20 0 DFADHM CC(C)OCCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820142817 607302801 /nfs/dbraw/zinc/30/28/01/607302801.db2.gz XHMUELYKLYXMGW-UHFFFAOYSA-N -1 3 312.377 2.642 20 0 DFADHM Cc1c(NC(=O)N2[C@H](C)CC[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822084558 607289964 /nfs/dbraw/zinc/28/99/64/607289964.db2.gz MYCUMUVPCXTSRK-NXEZZACHSA-N -1 3 300.366 2.580 20 0 DFADHM Cc1c(NC(=O)N2[C@H](C)CC[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822084558 607289965 /nfs/dbraw/zinc/28/99/65/607289965.db2.gz MYCUMUVPCXTSRK-NXEZZACHSA-N -1 3 300.366 2.580 20 0 DFADHM Cc1c(NC(=O)CSCCC(C)C)cccc1-c1nnn[n-]1 ZINC000822075806 607296500 /nfs/dbraw/zinc/29/65/00/607296500.db2.gz IZTVOKHDJQEOQS-UHFFFAOYSA-N -1 3 319.434 2.893 20 0 DFADHM Cc1c(NC(=O)CSCCC(C)C)cccc1-c1nn[n-]n1 ZINC000822075806 607296501 /nfs/dbraw/zinc/29/65/01/607296501.db2.gz IZTVOKHDJQEOQS-UHFFFAOYSA-N -1 3 319.434 2.893 20 0 DFADHM C[C@H](C(=O)[O-])N(C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000817779344 597474297 /nfs/dbraw/zinc/47/42/97/597474297.db2.gz KJWNZYOFNSOYFE-LILOVNGRSA-N -1 3 324.229 2.506 20 0 DFADHM c1cn(-c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)cn1 ZINC000823808489 607309744 /nfs/dbraw/zinc/30/97/44/607309744.db2.gz AISKQFQIEHIGMN-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM c1cn(-c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2)cn1 ZINC000823808489 607309745 /nfs/dbraw/zinc/30/97/45/607309745.db2.gz AISKQFQIEHIGMN-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM COc1ccc(C)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821782147 607310591 /nfs/dbraw/zinc/31/05/91/607310591.db2.gz ANTZVAAJXNDMGG-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1N(C)C ZINC000822209256 607313524 /nfs/dbraw/zinc/31/35/24/607313524.db2.gz AAZGKENCDOPZSJ-UHFFFAOYSA-N -1 3 308.389 2.853 20 0 DFADHM Fc1cccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000737659431 599271279 /nfs/dbraw/zinc/27/12/79/599271279.db2.gz CZUIPRRWDBKCLN-UHFFFAOYSA-N -1 3 320.331 2.588 20 0 DFADHM Fc1cccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000737659431 599271282 /nfs/dbraw/zinc/27/12/82/599271282.db2.gz CZUIPRRWDBKCLN-UHFFFAOYSA-N -1 3 320.331 2.588 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820869234 599278876 /nfs/dbraw/zinc/27/88/76/599278876.db2.gz FFYRRLFBKMWNTF-NXEZZACHSA-N -1 3 320.372 2.952 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820869234 599278880 /nfs/dbraw/zinc/27/88/80/599278880.db2.gz FFYRRLFBKMWNTF-NXEZZACHSA-N -1 3 320.372 2.952 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nc(C)cs1 ZINC000736625337 599284345 /nfs/dbraw/zinc/28/43/45/599284345.db2.gz AZFDDQPITUWBEB-UHFFFAOYSA-N -1 3 317.374 2.609 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nc(C)cs1 ZINC000736625337 599284346 /nfs/dbraw/zinc/28/43/46/599284346.db2.gz AZFDDQPITUWBEB-UHFFFAOYSA-N -1 3 317.374 2.609 20 0 DFADHM CCSCC[C@H](C)N(C)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821456428 607327112 /nfs/dbraw/zinc/32/71/12/607327112.db2.gz PTWNANQVNMFDTG-JTQLQIEISA-N -1 3 309.414 2.974 20 0 DFADHM CCSCC[C@H](C)N(C)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821456428 607327113 /nfs/dbraw/zinc/32/71/13/607327113.db2.gz PTWNANQVNMFDTG-JTQLQIEISA-N -1 3 309.414 2.974 20 0 DFADHM FC1(F)CN(c2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC000822736227 607331471 /nfs/dbraw/zinc/33/14/71/607331471.db2.gz AWISXDOHPWUAPW-UHFFFAOYSA-N -1 3 313.311 2.979 20 0 DFADHM Fc1ccc2c(c1)CN(c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000822786774 607332040 /nfs/dbraw/zinc/33/20/40/607332040.db2.gz OZHDUDVPWGCYCK-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc2c(c1)CN(c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000822786774 607332041 /nfs/dbraw/zinc/33/20/41/607332041.db2.gz OZHDUDVPWGCYCK-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Cc1cc(O)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826271807 607339234 /nfs/dbraw/zinc/33/92/34/607339234.db2.gz INMQGFGWTQZDEF-TWGQIWQCSA-N -1 3 321.340 2.533 20 0 DFADHM Cc1cc(O)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826271807 607339236 /nfs/dbraw/zinc/33/92/36/607339236.db2.gz INMQGFGWTQZDEF-TWGQIWQCSA-N -1 3 321.340 2.533 20 0 DFADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000820147825 598191907 /nfs/dbraw/zinc/19/19/07/598191907.db2.gz HXAHIDXRZFPWNE-AMXDTQDGSA-N -1 3 317.410 2.973 20 0 DFADHM O=C([O-])c1cccc(CNCc2ccc(OCC3CC3)nc2)c1 ZINC000263378807 598203208 /nfs/dbraw/zinc/20/32/08/598203208.db2.gz BFBGAQITJOAPHX-UHFFFAOYSA-N -1 3 312.369 2.858 20 0 DFADHM FC(F)(F)c1ccc(NCc2cccnc2)cc1-c1nnn[n-]1 ZINC000822729196 607344928 /nfs/dbraw/zinc/34/49/28/607344928.db2.gz VOZZSFRURRYAQW-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM FC(F)(F)c1ccc(NCc2cccnc2)cc1-c1nn[n-]n1 ZINC000822729196 607344930 /nfs/dbraw/zinc/34/49/30/607344930.db2.gz VOZZSFRURRYAQW-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000735595064 598232728 /nfs/dbraw/zinc/23/27/28/598232728.db2.gz DMYYMBQJGQDNSX-JTQLQIEISA-N -1 3 305.407 2.579 20 0 DFADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000735595064 598232730 /nfs/dbraw/zinc/23/27/30/598232730.db2.gz DMYYMBQJGQDNSX-JTQLQIEISA-N -1 3 305.407 2.579 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](C(F)(F)F)C1 ZINC000737639466 598234943 /nfs/dbraw/zinc/23/49/43/598234943.db2.gz CBURTRBOJJFLEM-VIFPVBQESA-N -1 3 315.274 2.785 20 0 DFADHM Fc1cccc(N2CCc3cc(F)c(F)cc32)c1-c1nnn[n-]1 ZINC000737651741 598238908 /nfs/dbraw/zinc/23/89/08/598238908.db2.gz NMROIZVEJHNDHJ-UHFFFAOYSA-N -1 3 317.274 2.978 20 0 DFADHM Fc1cccc(N2CCc3cc(F)c(F)cc32)c1-c1nn[n-]n1 ZINC000737651741 598238909 /nfs/dbraw/zinc/23/89/09/598238909.db2.gz NMROIZVEJHNDHJ-UHFFFAOYSA-N -1 3 317.274 2.978 20 0 DFADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736329242 598240746 /nfs/dbraw/zinc/24/07/46/598240746.db2.gz JIGSCSBBOUBBOD-VXGBXAGGSA-N -1 3 313.405 2.906 20 0 DFADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736329242 598240748 /nfs/dbraw/zinc/24/07/48/598240748.db2.gz JIGSCSBBOUBBOD-VXGBXAGGSA-N -1 3 313.405 2.906 20 0 DFADHM CCC1(C)CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000736394231 598245117 /nfs/dbraw/zinc/24/51/17/598245117.db2.gz BTDVCEJAZZIWQR-UHFFFAOYSA-N -1 3 312.421 2.767 20 0 DFADHM CCC1(C)CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000736394231 598245118 /nfs/dbraw/zinc/24/51/18/598245118.db2.gz BTDVCEJAZZIWQR-UHFFFAOYSA-N -1 3 312.421 2.767 20 0 DFADHM Cc1ccccc1[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737421488 598245327 /nfs/dbraw/zinc/24/53/27/598245327.db2.gz JGRVGJKFWIHHRQ-AWEZNQCLSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccccc1[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737421488 598245328 /nfs/dbraw/zinc/24/53/28/598245328.db2.gz JGRVGJKFWIHHRQ-AWEZNQCLSA-N -1 3 306.373 2.564 20 0 DFADHM CCc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736694828 598247975 /nfs/dbraw/zinc/24/79/75/598247975.db2.gz DRNQOBDWFOROSX-AWEZNQCLSA-N -1 3 322.372 2.760 20 0 DFADHM CCc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736694828 598247977 /nfs/dbraw/zinc/24/79/77/598247977.db2.gz DRNQOBDWFOROSX-AWEZNQCLSA-N -1 3 322.372 2.760 20 0 DFADHM Cc1ccc(N(C)CCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000737347385 598258757 /nfs/dbraw/zinc/25/87/57/598258757.db2.gz PAHZTMXMKXDIJM-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM Cc1ccc(N(C)CCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000737347385 598258758 /nfs/dbraw/zinc/25/87/58/598258758.db2.gz PAHZTMXMKXDIJM-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM CCC(CC)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736343041 598265376 /nfs/dbraw/zinc/26/53/76/598265376.db2.gz WVZMVFIDUNJCIX-UHFFFAOYSA-N -1 3 302.382 2.733 20 0 DFADHM CCC(CC)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736343041 598265377 /nfs/dbraw/zinc/26/53/77/598265377.db2.gz WVZMVFIDUNJCIX-UHFFFAOYSA-N -1 3 302.382 2.733 20 0 DFADHM Cc1ccsc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737442839 598311509 /nfs/dbraw/zinc/31/15/09/598311509.db2.gz QMKNNOYNNHXEMF-UHFFFAOYSA-N -1 3 317.349 2.652 20 0 DFADHM Cc1ccsc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737442839 598311511 /nfs/dbraw/zinc/31/15/11/598311511.db2.gz QMKNNOYNNHXEMF-UHFFFAOYSA-N -1 3 317.349 2.652 20 0 DFADHM CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000736508350 598318108 /nfs/dbraw/zinc/31/81/08/598318108.db2.gz KIRSCWNIBMSWGS-UHFFFAOYSA-N -1 3 322.825 2.701 20 0 DFADHM CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000736508350 598318110 /nfs/dbraw/zinc/31/81/10/598318110.db2.gz KIRSCWNIBMSWGS-UHFFFAOYSA-N -1 3 322.825 2.701 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737318641 598330642 /nfs/dbraw/zinc/33/06/42/598330642.db2.gz WRNCFHGAFRFDIR-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737318641 598330643 /nfs/dbraw/zinc/33/06/43/598330643.db2.gz WRNCFHGAFRFDIR-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)NC1(c2ccccc2)CC1 ZINC000738179582 598358978 /nfs/dbraw/zinc/35/89/78/598358978.db2.gz XHKPPLMKUOSMIS-UHFFFAOYSA-N -1 3 320.356 2.678 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)NC1(c2ccccc2)CC1 ZINC000738179582 598358980 /nfs/dbraw/zinc/35/89/80/598358980.db2.gz XHKPPLMKUOSMIS-UHFFFAOYSA-N -1 3 320.356 2.678 20 0 DFADHM Cc1cccc(CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737391369 598365337 /nfs/dbraw/zinc/36/53/37/598365337.db2.gz ARGHZTLJHRUKFS-CYBMUJFWSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1cccc(CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391369 598365339 /nfs/dbraw/zinc/36/53/39/598365339.db2.gz ARGHZTLJHRUKFS-CYBMUJFWSA-N -1 3 321.384 2.595 20 0 DFADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2[nH]ccc21 ZINC000737955836 598371908 /nfs/dbraw/zinc/37/19/08/598371908.db2.gz MPRJUWCOFIILLL-UHFFFAOYSA-N -1 3 318.340 2.529 20 0 DFADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2[nH]ccc21 ZINC000737955836 598371909 /nfs/dbraw/zinc/37/19/09/598371909.db2.gz MPRJUWCOFIILLL-UHFFFAOYSA-N -1 3 318.340 2.529 20 0 DFADHM CCS[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736663713 598433008 /nfs/dbraw/zinc/43/30/08/598433008.db2.gz GKWGAVBUFHUVAG-ZDUSSCGKSA-N -1 3 320.418 2.688 20 0 DFADHM CCS[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736663713 598433010 /nfs/dbraw/zinc/43/30/10/598433010.db2.gz GKWGAVBUFHUVAG-ZDUSSCGKSA-N -1 3 320.418 2.688 20 0 DFADHM CC(C)c1cccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735928128 598447641 /nfs/dbraw/zinc/44/76/41/598447641.db2.gz GEMYJHALKWBWHU-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM CC(C)c1cccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735928128 598447643 /nfs/dbraw/zinc/44/76/43/598447643.db2.gz GEMYJHALKWBWHU-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1nc2ccccc2[nH]1 ZINC000736369900 598458589 /nfs/dbraw/zinc/45/85/89/598458589.db2.gz OLKPZBKPFFBJES-LLVKDONJSA-N -1 3 320.360 2.701 20 0 DFADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1nc2ccccc2[nH]1 ZINC000736369900 598458590 /nfs/dbraw/zinc/45/85/90/598458590.db2.gz OLKPZBKPFFBJES-LLVKDONJSA-N -1 3 320.360 2.701 20 0 DFADHM C[C@H](NCc1coc(C2CC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736133037 598466469 /nfs/dbraw/zinc/46/64/69/598466469.db2.gz ZCVTUJRFQAWUPA-JTQLQIEISA-N -1 3 310.361 2.583 20 0 DFADHM C[C@H](NCc1coc(C2CC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736133037 598466470 /nfs/dbraw/zinc/46/64/70/598466470.db2.gz ZCVTUJRFQAWUPA-JTQLQIEISA-N -1 3 310.361 2.583 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000735761058 598495710 /nfs/dbraw/zinc/49/57/10/598495710.db2.gz KQJKIQJNPJUZBE-GFCCVEGCSA-N -1 3 301.394 2.902 20 0 DFADHM CC(C)(C)SCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735643266 598467684 /nfs/dbraw/zinc/46/76/84/598467684.db2.gz LVDNNNYJYUJVNG-UHFFFAOYSA-N -1 3 320.422 2.520 20 0 DFADHM CC(C)(C)SCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735643266 598467685 /nfs/dbraw/zinc/46/76/85/598467685.db2.gz LVDNNNYJYUJVNG-UHFFFAOYSA-N -1 3 320.422 2.520 20 0 DFADHM Cc1nc([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000737471395 598468979 /nfs/dbraw/zinc/46/89/79/598468979.db2.gz PUQDEFPEZJGULW-ZETCQYMHSA-N -1 3 304.354 2.944 20 0 DFADHM Cc1nc([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000737471395 598468981 /nfs/dbraw/zinc/46/89/81/598468981.db2.gz PUQDEFPEZJGULW-ZETCQYMHSA-N -1 3 304.354 2.944 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000735761058 598495708 /nfs/dbraw/zinc/49/57/08/598495708.db2.gz KQJKIQJNPJUZBE-GFCCVEGCSA-N -1 3 301.394 2.902 20 0 DFADHM Cc1noc(C)c1CN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737539027 598508511 /nfs/dbraw/zinc/50/85/11/598508511.db2.gz XPXRHGWEPYEHLE-UHFFFAOYSA-N -1 3 318.768 2.761 20 0 DFADHM Cc1noc(C)c1CN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737539027 598508513 /nfs/dbraw/zinc/50/85/13/598508513.db2.gz XPXRHGWEPYEHLE-UHFFFAOYSA-N -1 3 318.768 2.761 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737196574 598512099 /nfs/dbraw/zinc/51/20/99/598512099.db2.gz RHDKHZSPYHXBKB-UMSPYCQHSA-N -1 3 300.366 2.567 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737196574 598512100 /nfs/dbraw/zinc/51/21/00/598512100.db2.gz RHDKHZSPYHXBKB-UMSPYCQHSA-N -1 3 300.366 2.567 20 0 DFADHM CC=CC=CC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736306663 598516612 /nfs/dbraw/zinc/51/66/12/598516612.db2.gz YQWRFXAQIURHHG-GFGVWQOPSA-N -1 3 303.391 2.870 20 0 DFADHM CC=CC=CC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736306663 598516613 /nfs/dbraw/zinc/51/66/13/598516613.db2.gz YQWRFXAQIURHHG-GFGVWQOPSA-N -1 3 303.391 2.870 20 0 DFADHM CC(=O)c1ccc(F)cc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000735495198 598522161 /nfs/dbraw/zinc/52/21/61/598522161.db2.gz DBUGNVDGBPZKFG-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccc(F)cc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000735495198 598522162 /nfs/dbraw/zinc/52/21/62/598522162.db2.gz DBUGNVDGBPZKFG-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM Fc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc(F)c1F ZINC000737645433 598537821 /nfs/dbraw/zinc/53/78/21/598537821.db2.gz YDVBUVDQKWPZQR-HNQUOIGGSA-N -1 3 303.247 2.849 20 0 DFADHM Fc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc(F)c1F ZINC000737645433 598537822 /nfs/dbraw/zinc/53/78/22/598537822.db2.gz YDVBUVDQKWPZQR-HNQUOIGGSA-N -1 3 303.247 2.849 20 0 DFADHM CC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000736216748 598540129 /nfs/dbraw/zinc/54/01/29/598540129.db2.gz KMDHDRFPOSSYGZ-UHFFFAOYSA-N -1 3 300.366 2.569 20 0 DFADHM CC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000736216748 598540131 /nfs/dbraw/zinc/54/01/31/598540131.db2.gz KMDHDRFPOSSYGZ-UHFFFAOYSA-N -1 3 300.366 2.569 20 0 DFADHM Cc1cccc(OCCOc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000737411164 598550421 /nfs/dbraw/zinc/55/04/21/598550421.db2.gz KJOUYOPTBPIBQG-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1cccc(OCCOc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000737411164 598550422 /nfs/dbraw/zinc/55/04/22/598550422.db2.gz KJOUYOPTBPIBQG-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000735561784 598551070 /nfs/dbraw/zinc/55/10/70/598551070.db2.gz LSFJFVUCDYOIDG-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000735561784 598551071 /nfs/dbraw/zinc/55/10/71/598551071.db2.gz LSFJFVUCDYOIDG-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM O=C(C=Cc1ccsc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737809443 598588921 /nfs/dbraw/zinc/58/89/21/598588921.db2.gz WDSXYQLAPHJIMX-RJRFIUFISA-N -1 3 315.333 2.719 20 0 DFADHM O=C(C=Cc1ccsc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737809443 598588923 /nfs/dbraw/zinc/58/89/23/598588923.db2.gz WDSXYQLAPHJIMX-RJRFIUFISA-N -1 3 315.333 2.719 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1C1CCC1 ZINC000738178302 598617684 /nfs/dbraw/zinc/61/76/84/598617684.db2.gz JEKGAJUUHWNHRJ-CQSZACIVSA-N -1 3 312.377 2.663 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1C1CCC1 ZINC000738178302 598617686 /nfs/dbraw/zinc/61/76/86/598617686.db2.gz JEKGAJUUHWNHRJ-CQSZACIVSA-N -1 3 312.377 2.663 20 0 DFADHM CC(C)N(Cc1cscn1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735874561 598622550 /nfs/dbraw/zinc/62/25/50/598622550.db2.gz QWNWICQOTCASGK-UHFFFAOYSA-N -1 3 314.418 2.734 20 0 DFADHM CC(C)N(Cc1cscn1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735874561 598622551 /nfs/dbraw/zinc/62/25/51/598622551.db2.gz QWNWICQOTCASGK-UHFFFAOYSA-N -1 3 314.418 2.734 20 0 DFADHM CCN(Cc1cscn1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736555056 598622694 /nfs/dbraw/zinc/62/26/94/598622694.db2.gz CQSKZATWWLCFID-LLVKDONJSA-N -1 3 314.418 2.906 20 0 DFADHM CCN(Cc1cscn1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736555056 598622695 /nfs/dbraw/zinc/62/26/95/598622695.db2.gz CQSKZATWWLCFID-LLVKDONJSA-N -1 3 314.418 2.906 20 0 DFADHM CC(C)[C@H](C)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735704067 598623622 /nfs/dbraw/zinc/62/36/22/598623622.db2.gz ZNMAIVOKMIABDM-VIFPVBQESA-N -1 3 306.345 2.514 20 0 DFADHM CC(C)[C@H](C)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735704067 598623623 /nfs/dbraw/zinc/62/36/23/598623623.db2.gz ZNMAIVOKMIABDM-VIFPVBQESA-N -1 3 306.345 2.514 20 0 DFADHM CCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](C)C(C)C ZINC000736506101 598629224 /nfs/dbraw/zinc/62/92/24/598629224.db2.gz RBZGEBGATYLHSO-SNVBAGLBSA-N -1 3 320.372 2.904 20 0 DFADHM CCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](C)C(C)C ZINC000736506101 598629226 /nfs/dbraw/zinc/62/92/26/598629226.db2.gz RBZGEBGATYLHSO-SNVBAGLBSA-N -1 3 320.372 2.904 20 0 DFADHM CN(C[C@H]1CCCCO1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736795768 598634598 /nfs/dbraw/zinc/63/45/98/598634598.db2.gz YKFSJIIOIMLBFS-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CN(C[C@H]1CCCCO1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736795768 598634599 /nfs/dbraw/zinc/63/45/99/598634599.db2.gz YKFSJIIOIMLBFS-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CN(C[C@@H]1CCCCO1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000736793816 598634857 /nfs/dbraw/zinc/63/48/57/598634857.db2.gz LYMMPQLTXAQTER-JTQLQIEISA-N -1 3 307.785 2.525 20 0 DFADHM CN(C[C@@H]1CCCCO1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000736793816 598634859 /nfs/dbraw/zinc/63/48/59/598634859.db2.gz LYMMPQLTXAQTER-JTQLQIEISA-N -1 3 307.785 2.525 20 0 DFADHM CC(C)c1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ncn1 ZINC000735923012 598649385 /nfs/dbraw/zinc/64/93/85/598649385.db2.gz RONQZBKSZDLVMN-NSHDSACASA-N -1 3 309.377 2.953 20 0 DFADHM CC(C)c1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC000735923012 598649386 /nfs/dbraw/zinc/64/93/86/598649386.db2.gz RONQZBKSZDLVMN-NSHDSACASA-N -1 3 309.377 2.953 20 0 DFADHM Cc1ccc(C(C)(C)CNc2ncccc2-c2nnn[n-]2)cc1 ZINC000737317806 598673511 /nfs/dbraw/zinc/67/35/11/598673511.db2.gz NFIJGKNWZHNGDJ-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1ccc(C(C)(C)CNc2ncccc2-c2nn[n-]n2)cc1 ZINC000737317806 598673512 /nfs/dbraw/zinc/67/35/12/598673512.db2.gz NFIJGKNWZHNGDJ-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM CCOc1ccccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736655532 598674297 /nfs/dbraw/zinc/67/42/97/598674297.db2.gz SZXOODFYBABVMT-UHFFFAOYSA-N -1 3 314.320 2.984 20 0 DFADHM CCOc1ccccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736655532 598674298 /nfs/dbraw/zinc/67/42/98/598674298.db2.gz SZXOODFYBABVMT-UHFFFAOYSA-N -1 3 314.320 2.984 20 0 DFADHM Fc1ccc(COc2cc(F)cc(F)c2)c(-c2nnn[n-]2)c1 ZINC000737651366 598677553 /nfs/dbraw/zinc/67/75/53/598677553.db2.gz KCUKIYOVJMFXDS-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(COc2cc(F)cc(F)c2)c(-c2nn[n-]n2)c1 ZINC000737651366 598677555 /nfs/dbraw/zinc/67/75/55/598677555.db2.gz KCUKIYOVJMFXDS-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CN(Cc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1F ZINC000736820256 598683955 /nfs/dbraw/zinc/68/39/55/598683955.db2.gz UDAGADNKKHYEEI-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1F ZINC000736820256 598683956 /nfs/dbraw/zinc/68/39/56/598683956.db2.gz UDAGADNKKHYEEI-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1Cn1ccc(-c2ccccc2)n1 ZINC000737641148 598700558 /nfs/dbraw/zinc/70/05/58/598700558.db2.gz SYXBFOBKIQAPEH-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1Cn1ccc(-c2ccccc2)n1 ZINC000737641148 598700559 /nfs/dbraw/zinc/70/05/59/598700559.db2.gz SYXBFOBKIQAPEH-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736419077 598709340 /nfs/dbraw/zinc/70/93/40/598709340.db2.gz JMKXVBRQRYYQHI-JXMROGBWSA-N -1 3 304.325 2.795 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736419077 598709342 /nfs/dbraw/zinc/70/93/42/598709342.db2.gz JMKXVBRQRYYQHI-JXMROGBWSA-N -1 3 304.325 2.795 20 0 DFADHM CCc1nc([C@@H](C)NCc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736699343 598713889 /nfs/dbraw/zinc/71/38/89/598713889.db2.gz NISOGDZTMHRQLL-SNVBAGLBSA-N -1 3 314.418 2.736 20 0 DFADHM Fc1cccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737661775 598723336 /nfs/dbraw/zinc/72/33/36/598723336.db2.gz PXECJVLWMGBIAA-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1cccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737661775 598723338 /nfs/dbraw/zinc/72/33/38/598723338.db2.gz PXECJVLWMGBIAA-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Cc1ccccc1CCC(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737428337 598734937 /nfs/dbraw/zinc/73/49/37/598734937.db2.gz WWWWJYNVHCYAAR-UHFFFAOYSA-N -1 3 308.341 2.713 20 0 DFADHM Cc1ccccc1CCC(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737428337 598734939 /nfs/dbraw/zinc/73/49/39/598734939.db2.gz WWWWJYNVHCYAAR-UHFFFAOYSA-N -1 3 308.341 2.713 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Cc1ccccc1 ZINC000737290498 598742323 /nfs/dbraw/zinc/74/23/23/598742323.db2.gz WOSUPIYXKZWZNV-ZDUSSCGKSA-N -1 3 321.384 2.992 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1ccccc1 ZINC000737290498 598742324 /nfs/dbraw/zinc/74/23/24/598742324.db2.gz WOSUPIYXKZWZNV-ZDUSSCGKSA-N -1 3 321.384 2.992 20 0 DFADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000735748566 598748251 /nfs/dbraw/zinc/74/82/51/598748251.db2.gz KWHZKFULHZNQLD-QWRGUYRKSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000735748566 598748253 /nfs/dbraw/zinc/74/82/53/598748253.db2.gz KWHZKFULHZNQLD-QWRGUYRKSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)c1cnc(CSc2cc(-c3nnn[n-]3)ccn2)o1 ZINC000735933060 598821470 /nfs/dbraw/zinc/82/14/70/598821470.db2.gz SFKXOSWOGIBHEC-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CC(C)c1cnc(CSc2cc(-c3nn[n-]n3)ccn2)o1 ZINC000735933060 598821471 /nfs/dbraw/zinc/82/14/71/598821471.db2.gz SFKXOSWOGIBHEC-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CN(C(=O)C=Cc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736732655 599304224 /nfs/dbraw/zinc/30/42/24/599304224.db2.gz NEKZMAZVPCPZMW-HJWRWDBZSA-N -1 3 311.370 2.604 20 0 DFADHM CN(C(=O)C=Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736732655 599304226 /nfs/dbraw/zinc/30/42/26/599304226.db2.gz NEKZMAZVPCPZMW-HJWRWDBZSA-N -1 3 311.370 2.604 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccc(C)cn1 ZINC000821752350 607368464 /nfs/dbraw/zinc/36/84/64/607368464.db2.gz LHIOAQFCAQTSFM-UHFFFAOYSA-N -1 3 313.386 2.871 20 0 DFADHM Cc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737362534 599326138 /nfs/dbraw/zinc/32/61/38/599326138.db2.gz SSIHBBNNYQEEOC-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737362534 599326141 /nfs/dbraw/zinc/32/61/41/599326141.db2.gz SSIHBBNNYQEEOC-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM FC(F)(F)COCCSc1ccccc1-c1nnn[n-]1 ZINC000822718814 599342447 /nfs/dbraw/zinc/34/24/47/599342447.db2.gz RJLKSVHKLSYFPO-UHFFFAOYSA-N -1 3 304.297 2.538 20 0 DFADHM FC(F)(F)COCCSc1ccccc1-c1nn[n-]n1 ZINC000822718814 599342449 /nfs/dbraw/zinc/34/24/49/599342449.db2.gz RJLKSVHKLSYFPO-UHFFFAOYSA-N -1 3 304.297 2.538 20 0 DFADHM CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000821016563 599344201 /nfs/dbraw/zinc/34/42/01/599344201.db2.gz XOGSDIYZOCPGKC-GHMZBOCLSA-N -1 3 319.434 2.652 20 0 DFADHM CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000821016563 599344204 /nfs/dbraw/zinc/34/42/04/599344204.db2.gz XOGSDIYZOCPGKC-GHMZBOCLSA-N -1 3 319.434 2.652 20 0 DFADHM CC(C)c1nccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820206428 599357035 /nfs/dbraw/zinc/35/70/35/599357035.db2.gz KDLWCUKDAVWFGZ-LLVKDONJSA-N -1 3 309.377 2.953 20 0 DFADHM CC(C)c1nccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820206428 599357038 /nfs/dbraw/zinc/35/70/38/599357038.db2.gz KDLWCUKDAVWFGZ-LLVKDONJSA-N -1 3 309.377 2.953 20 0 DFADHM Cn1cnc2cc(Nc3cccc(F)c3-c3nnn[n-]3)ccc21 ZINC000822699045 599358755 /nfs/dbraw/zinc/35/87/55/599358755.db2.gz MKBSUOKOZPBYBK-UHFFFAOYSA-N -1 3 309.308 2.636 20 0 DFADHM Cn1cnc2cc(Nc3cccc(F)c3-c3nn[n-]n3)ccc21 ZINC000822699045 599358757 /nfs/dbraw/zinc/35/87/57/599358757.db2.gz MKBSUOKOZPBYBK-UHFFFAOYSA-N -1 3 309.308 2.636 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cc2occc2s1 ZINC000738250161 599371188 /nfs/dbraw/zinc/37/11/88/599371188.db2.gz DEDZAOSGRGEFEA-UHFFFAOYSA-N -1 3 312.310 2.894 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc2occc2s1 ZINC000738250161 599371191 /nfs/dbraw/zinc/37/11/91/599371191.db2.gz DEDZAOSGRGEFEA-UHFFFAOYSA-N -1 3 312.310 2.894 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(F)c(C)c1 ZINC000821736990 607371539 /nfs/dbraw/zinc/37/15/39/607371539.db2.gz PUYMGIIHPXGURS-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(F)c(C)c1 ZINC000821736990 607371541 /nfs/dbraw/zinc/37/15/41/607371541.db2.gz PUYMGIIHPXGURS-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000736244538 599376128 /nfs/dbraw/zinc/37/61/28/599376128.db2.gz JXBGQGGIIXZBPO-JTNHKYCSSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000736244538 599376131 /nfs/dbraw/zinc/37/61/31/599376131.db2.gz JXBGQGGIIXZBPO-JTNHKYCSSA-N -1 3 300.362 2.848 20 0 DFADHM Cc1[nH]c2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2c1C ZINC000822009657 599418410 /nfs/dbraw/zinc/41/84/10/599418410.db2.gz APQHUMLOYVQJBJ-UHFFFAOYSA-N -1 3 322.372 2.848 20 0 DFADHM Clc1cccc2c1CC[C@@H]2NCc1ccc(-c2nnn[n-]2)o1 ZINC000822585646 599418428 /nfs/dbraw/zinc/41/84/28/599418428.db2.gz IRSOCKCHFLSLCC-ZDUSSCGKSA-N -1 3 315.764 2.890 20 0 DFADHM Cc1ncsc1CN(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737504246 599434750 /nfs/dbraw/zinc/43/47/50/599434750.db2.gz ZALYVSJXGTUOMJ-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ncsc1CN(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737504246 599434751 /nfs/dbraw/zinc/43/47/51/599434751.db2.gz ZALYVSJXGTUOMJ-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM CCOC[C@@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736611527 599437867 /nfs/dbraw/zinc/43/78/67/599437867.db2.gz RHZSXPJFLVGKJG-LLVKDONJSA-N -1 3 321.812 2.773 20 0 DFADHM CCOC[C@@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736611527 599437869 /nfs/dbraw/zinc/43/78/69/599437869.db2.gz RHZSXPJFLVGKJG-LLVKDONJSA-N -1 3 321.812 2.773 20 0 DFADHM Cc1csc(CCNc2c(Cl)cccc2-c2nnn[n-]2)n1 ZINC000822408988 599470097 /nfs/dbraw/zinc/47/00/97/599470097.db2.gz LQGSCMZTLXOISD-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1csc(CCNc2c(Cl)cccc2-c2nn[n-]n2)n1 ZINC000822408988 599470098 /nfs/dbraw/zinc/47/00/98/599470098.db2.gz LQGSCMZTLXOISD-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM CC[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820978694 599474814 /nfs/dbraw/zinc/47/48/14/599474814.db2.gz CFYITLGOFIBWRD-BXUZGUMPSA-N -1 3 314.393 2.512 20 0 DFADHM CC[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820978694 599474816 /nfs/dbraw/zinc/47/48/16/599474816.db2.gz CFYITLGOFIBWRD-BXUZGUMPSA-N -1 3 314.393 2.512 20 0 DFADHM CCCN(CCC)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821100220 599486653 /nfs/dbraw/zinc/48/66/53/599486653.db2.gz WFZBWTDPFSVUTP-LBPRGKRZSA-N -1 3 316.409 2.759 20 0 DFADHM CCCN(CCC)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821100220 599486655 /nfs/dbraw/zinc/48/66/55/599486655.db2.gz WFZBWTDPFSVUTP-LBPRGKRZSA-N -1 3 316.409 2.759 20 0 DFADHM CN(Cc1cscn1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821617010 599495403 /nfs/dbraw/zinc/49/54/03/599495403.db2.gz SCQNQPURMDCSFA-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CN(Cc1cscn1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821617010 599495406 /nfs/dbraw/zinc/49/54/06/599495406.db2.gz SCQNQPURMDCSFA-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM COC[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736968115 599522491 /nfs/dbraw/zinc/52/24/91/599522491.db2.gz DYJGGOKCCVWLHB-MRVPVSSYSA-N -1 3 315.299 2.580 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCc2ccccc2N1 ZINC000822748357 599524406 /nfs/dbraw/zinc/52/44/06/599524406.db2.gz VRNNNZZIBNJXFV-CYBMUJFWSA-N -1 3 324.363 2.845 20 0 DFADHM CCCC(O)(CCC)CNc1cccc(F)c1-c1nnn[n-]1 ZINC000736436459 599530519 /nfs/dbraw/zinc/53/05/19/599530519.db2.gz RCEVSHLDARLMIK-UHFFFAOYSA-N -1 3 307.373 2.749 20 0 DFADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC000735571979 599539599 /nfs/dbraw/zinc/53/95/99/599539599.db2.gz NRNNYKMQSYZSLS-SECBINFHSA-N -1 3 300.343 2.637 20 0 DFADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000735571979 599539601 /nfs/dbraw/zinc/53/96/01/599539601.db2.gz NRNNYKMQSYZSLS-SECBINFHSA-N -1 3 300.343 2.637 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cccc(F)c1 ZINC000826252696 607383294 /nfs/dbraw/zinc/38/32/94/607383294.db2.gz OIUDGGVKUPZZNY-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cccc(F)c1 ZINC000826252696 607383296 /nfs/dbraw/zinc/38/32/96/607383296.db2.gz OIUDGGVKUPZZNY-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccccc1F ZINC000826252871 607383440 /nfs/dbraw/zinc/38/34/40/607383440.db2.gz WLVHLLWVPJBKIB-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccccc1F ZINC000826252871 607383442 /nfs/dbraw/zinc/38/34/42/607383442.db2.gz WLVHLLWVPJBKIB-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736333769 599547883 /nfs/dbraw/zinc/54/78/83/599547883.db2.gz VAJYRNBDTCLTRD-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736333769 599547885 /nfs/dbraw/zinc/54/78/85/599547885.db2.gz VAJYRNBDTCLTRD-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM Fc1ccc(NCCCc2nccs2)c(-c2nnn[n-]2)c1 ZINC000822778984 599556181 /nfs/dbraw/zinc/55/61/81/599556181.db2.gz QLBTZGWJEPQTRA-UHFFFAOYSA-N -1 3 304.354 2.507 20 0 DFADHM Fc1ccc(NCCCc2nccs2)c(-c2nn[n-]n2)c1 ZINC000822778984 599556182 /nfs/dbraw/zinc/55/61/82/599556182.db2.gz QLBTZGWJEPQTRA-UHFFFAOYSA-N -1 3 304.354 2.507 20 0 DFADHM Clc1cc(NCCCc2ccccn2)ccc1-c1nnn[n-]1 ZINC000822568617 607384112 /nfs/dbraw/zinc/38/41/12/607384112.db2.gz UCHBLGXKNXBBJB-UHFFFAOYSA-N -1 3 314.780 2.960 20 0 DFADHM Clc1cc(NCCCc2ccccn2)ccc1-c1nn[n-]n1 ZINC000822568617 607384113 /nfs/dbraw/zinc/38/41/13/607384113.db2.gz UCHBLGXKNXBBJB-UHFFFAOYSA-N -1 3 314.780 2.960 20 0 DFADHM Cc1cccc(C)c1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737388850 599605675 /nfs/dbraw/zinc/60/56/75/599605675.db2.gz MIWYYPNZBBGYIB-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM Cc1cccc(C)c1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737388850 599605677 /nfs/dbraw/zinc/60/56/77/599605677.db2.gz MIWYYPNZBBGYIB-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM C[C@@H](C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccsc1 ZINC000735571845 599607883 /nfs/dbraw/zinc/60/78/83/599607883.db2.gz LACKAYKOTHVBNN-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM C[C@@H](C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccsc1 ZINC000735571845 599607884 /nfs/dbraw/zinc/60/78/84/599607884.db2.gz LACKAYKOTHVBNN-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM CCC[C@H](C)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000821016781 599624679 /nfs/dbraw/zinc/62/46/79/599624679.db2.gz ZULLFRUFFYRUQZ-RYUDHWBXSA-N -1 3 318.377 2.613 20 0 DFADHM CCC[C@H](C)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000821016781 599624680 /nfs/dbraw/zinc/62/46/80/599624680.db2.gz ZULLFRUFFYRUQZ-RYUDHWBXSA-N -1 3 318.377 2.613 20 0 DFADHM C[C@H]1CC(OC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000820649356 599625263 /nfs/dbraw/zinc/62/52/63/599625263.db2.gz LDHBLHIFRHVVOU-GHMZBOCLSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@H]1CC(OC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000820649356 599625264 /nfs/dbraw/zinc/62/52/64/599625264.db2.gz LDHBLHIFRHVVOU-GHMZBOCLSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(F)(F)F ZINC000819865372 599629216 /nfs/dbraw/zinc/62/92/16/599629216.db2.gz DEALYYBNHXSQJP-YFKPBYRVSA-N -1 3 319.674 2.657 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(F)(F)F ZINC000819865372 599629217 /nfs/dbraw/zinc/62/92/17/599629217.db2.gz DEALYYBNHXSQJP-YFKPBYRVSA-N -1 3 319.674 2.657 20 0 DFADHM Cc1cccc(C)c1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822288600 599629863 /nfs/dbraw/zinc/62/98/63/599629863.db2.gz CUIVGKYHQVMQCS-UHFFFAOYSA-N -1 3 321.384 2.756 20 0 DFADHM Cc1cccc(C)c1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822288600 599629864 /nfs/dbraw/zinc/62/98/64/599629864.db2.gz CUIVGKYHQVMQCS-UHFFFAOYSA-N -1 3 321.384 2.756 20 0 DFADHM CSc1ccc(F)cc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000821982978 599647550 /nfs/dbraw/zinc/64/75/50/599647550.db2.gz CEGKZOMBQQQQOP-UHFFFAOYSA-N -1 3 319.365 2.611 20 0 DFADHM CSc1ccc(F)cc1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000821982978 599647551 /nfs/dbraw/zinc/64/75/51/599647551.db2.gz CEGKZOMBQQQQOP-UHFFFAOYSA-N -1 3 319.365 2.611 20 0 DFADHM CCC(C)(C)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820848011 599651685 /nfs/dbraw/zinc/65/16/85/599651685.db2.gz QDYVYWCFAIGUMG-NSHDSACASA-N -1 3 301.394 2.870 20 0 DFADHM CCC(C)(C)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820848011 599651686 /nfs/dbraw/zinc/65/16/86/599651686.db2.gz QDYVYWCFAIGUMG-NSHDSACASA-N -1 3 301.394 2.870 20 0 DFADHM CCC(C)(C)CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820848355 599673510 /nfs/dbraw/zinc/67/35/10/599673510.db2.gz VRHQDQKRCXWOJM-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CCC(C)(C)CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820848355 599673511 /nfs/dbraw/zinc/67/35/11/599673511.db2.gz VRHQDQKRCXWOJM-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)C2CC2)cc1-c1nnn[n-]1 ZINC000820161615 607396616 /nfs/dbraw/zinc/39/66/16/607396616.db2.gz YOWJQGVDNPLDLF-JTQLQIEISA-N -1 3 315.377 2.639 20 0 DFADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)C2CC2)cc1-c1nn[n-]n1 ZINC000820161615 607396618 /nfs/dbraw/zinc/39/66/18/607396618.db2.gz YOWJQGVDNPLDLF-JTQLQIEISA-N -1 3 315.377 2.639 20 0 DFADHM Cc1cscc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826321190 607396851 /nfs/dbraw/zinc/39/68/51/607396851.db2.gz UNQVSARBYOZYLG-UHFFFAOYSA-N -1 3 314.374 2.558 20 0 DFADHM Cc1cscc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826321190 607396853 /nfs/dbraw/zinc/39/68/53/607396853.db2.gz UNQVSARBYOZYLG-UHFFFAOYSA-N -1 3 314.374 2.558 20 0 DFADHM C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824892636 608444662 /nfs/dbraw/zinc/44/46/62/608444662.db2.gz LFFPSRJYBFORBC-DOFRTFSJSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824892636 608444664 /nfs/dbraw/zinc/44/46/64/608444664.db2.gz LFFPSRJYBFORBC-DOFRTFSJSA-N -1 3 307.785 2.888 20 0 DFADHM CC(C)Oc1ccc(NC(=O)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820173335 607399232 /nfs/dbraw/zinc/39/92/32/607399232.db2.gz ALIDHKJOYQXUCI-UHFFFAOYSA-N -1 3 323.356 2.906 20 0 DFADHM CC(C)Oc1ccc(NC(=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820173335 607399234 /nfs/dbraw/zinc/39/92/34/607399234.db2.gz ALIDHKJOYQXUCI-UHFFFAOYSA-N -1 3 323.356 2.906 20 0 DFADHM COCc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826164465 607401131 /nfs/dbraw/zinc/40/11/31/607401131.db2.gz BGLPCHOCJWEASA-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COCc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826164465 607401132 /nfs/dbraw/zinc/40/11/32/607401132.db2.gz BGLPCHOCJWEASA-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM CC(C)(C)SCCCOC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824124547 608475427 /nfs/dbraw/zinc/47/54/27/608475427.db2.gz VDCFCOVMJJTXKJ-UHFFFAOYSA-N -1 3 320.418 2.945 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccccc1 ZINC000826253009 607404258 /nfs/dbraw/zinc/40/42/58/607404258.db2.gz BUHGGNHOFZRHNZ-YFHOEESVSA-N -1 3 320.352 2.932 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccccc1 ZINC000826253009 607404259 /nfs/dbraw/zinc/40/42/59/607404259.db2.gz BUHGGNHOFZRHNZ-YFHOEESVSA-N -1 3 320.352 2.932 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@H](C)C1CC1 ZINC000826253306 607405360 /nfs/dbraw/zinc/40/53/60/607405360.db2.gz LLJRIEGUDQCKHA-NSHDSACASA-N -1 3 300.362 2.655 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@H](C)C1CC1 ZINC000826253306 607405361 /nfs/dbraw/zinc/40/53/61/607405361.db2.gz LLJRIEGUDQCKHA-NSHDSACASA-N -1 3 300.362 2.655 20 0 DFADHM Cc1cc(F)ccc1OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826268729 607861492 /nfs/dbraw/zinc/86/14/92/607861492.db2.gz KXGYXBXSNYOMOA-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=C(C1CC1)C1CC1 ZINC000826253476 607412984 /nfs/dbraw/zinc/41/29/84/607412984.db2.gz RNJKBMQWZBBZEV-UHFFFAOYSA-N -1 3 324.384 2.965 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=C(C1CC1)C1CC1 ZINC000826253476 607412986 /nfs/dbraw/zinc/41/29/86/607412986.db2.gz RNJKBMQWZBBZEV-UHFFFAOYSA-N -1 3 324.384 2.965 20 0 DFADHM CCC[C@H](C)CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825232546 607419248 /nfs/dbraw/zinc/41/92/48/607419248.db2.gz HXJZYARMRYOYED-LBPRGKRZSA-N -1 3 313.405 2.798 20 0 DFADHM CCC[C@H](C)CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825232546 607419250 /nfs/dbraw/zinc/41/92/50/607419250.db2.gz HXJZYARMRYOYED-LBPRGKRZSA-N -1 3 313.405 2.798 20 0 DFADHM CC(C)Oc1ccc(NC(=O)NC(C)(C)C)cc1-c1nnn[n-]1 ZINC000820165468 607427376 /nfs/dbraw/zinc/42/73/76/607427376.db2.gz QKALVRZXQYQASN-UHFFFAOYSA-N -1 3 318.381 2.574 20 0 DFADHM CC(C)Oc1ccc(NC(=O)NC(C)(C)C)cc1-c1nn[n-]n1 ZINC000820165468 607427377 /nfs/dbraw/zinc/42/73/77/607427377.db2.gz QKALVRZXQYQASN-UHFFFAOYSA-N -1 3 318.381 2.574 20 0 DFADHM CC[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820875887 607433112 /nfs/dbraw/zinc/43/31/12/607433112.db2.gz HWYXDZHVFXDPKF-JTQLQIEISA-N -1 3 318.381 2.574 20 0 DFADHM CC[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820875887 607433114 /nfs/dbraw/zinc/43/31/14/607433114.db2.gz HWYXDZHVFXDPKF-JTQLQIEISA-N -1 3 318.381 2.574 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1c(F)cccc1F ZINC000826252821 607431126 /nfs/dbraw/zinc/43/11/26/607431126.db2.gz STMWQXUKGRFZTF-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1c(F)cccc1F ZINC000826252821 607431127 /nfs/dbraw/zinc/43/11/27/607431127.db2.gz STMWQXUKGRFZTF-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1cccc2c1N(C(=O)c1ccc(-c3nnn[n-]3)cc1C)CC2 ZINC000826246113 607431129 /nfs/dbraw/zinc/43/11/29/607431129.db2.gz RVJOMWBFAZPKQG-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM Cc1cccc2c1N(C(=O)c1ccc(-c3nn[n-]n3)cc1C)CC2 ZINC000826246113 607431130 /nfs/dbraw/zinc/43/11/30/607431130.db2.gz RVJOMWBFAZPKQG-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM CC[C@@H]1CCCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000736938622 600319653 /nfs/dbraw/zinc/31/96/53/600319653.db2.gz IWFDLFBQRHUDEI-CYBMUJFWSA-N -1 3 304.390 2.835 20 0 DFADHM CN(C(=O)C=Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812067 607437995 /nfs/dbraw/zinc/43/79/95/607437995.db2.gz HGNAVDCXXYFOOD-DHZHZOJOSA-N -1 3 323.331 2.682 20 0 DFADHM CN(C(=O)C=Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812067 607437997 /nfs/dbraw/zinc/43/79/97/607437997.db2.gz HGNAVDCXXYFOOD-DHZHZOJOSA-N -1 3 323.331 2.682 20 0 DFADHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)C[C@H](C)C(=O)[O-] ZINC000736572804 600374423 /nfs/dbraw/zinc/37/44/23/600374423.db2.gz SAYODQQCCOQHBA-QWHCGFSZSA-N -1 3 314.385 2.819 20 0 DFADHM C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N(C)C[C@H](C)C(=O)[O-] ZINC000263115782 600376305 /nfs/dbraw/zinc/37/63/05/600376305.db2.gz BYBOLWRMKRDPLW-QWHCGFSZSA-N -1 3 320.433 2.964 20 0 DFADHM CCN(CC[S@](=O)c1cc(Cl)ccc1Cl)CC(=O)[O-] ZINC000737101850 600404840 /nfs/dbraw/zinc/40/48/40/600404840.db2.gz KFKARTTZUOGKMK-IBGZPJMESA-N -1 3 324.229 2.508 20 0 DFADHM COCc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000737828857 600435365 /nfs/dbraw/zinc/43/53/65/600435365.db2.gz ALTOPUOKMMSVFS-MRXNPFEDSA-N -1 3 303.333 2.888 20 0 DFADHM CC[C@@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)N(CC)CC ZINC000736850350 600566617 /nfs/dbraw/zinc/56/66/17/600566617.db2.gz VWXVSAFXILKWNF-ZDUSSCGKSA-N -1 3 311.357 2.975 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@H]2CC2(C)C)c1-c1nnn[n-]1 ZINC000825687722 607794599 /nfs/dbraw/zinc/79/45/99/607794599.db2.gz MJTDECVDWJAONS-SECBINFHSA-N -1 3 305.407 2.784 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@H]2CC2(C)C)c1-c1nn[n-]n1 ZINC000825687722 607794600 /nfs/dbraw/zinc/79/46/00/607794600.db2.gz MJTDECVDWJAONS-SECBINFHSA-N -1 3 305.407 2.784 20 0 DFADHM CCc1ccc(O)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000825717769 607462631 /nfs/dbraw/zinc/46/26/31/607462631.db2.gz PLGYLKVTSZCQMY-UHFFFAOYSA-N -1 3 323.356 2.695 20 0 DFADHM CCc1ccc(O)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000825717769 607462632 /nfs/dbraw/zinc/46/26/32/607462632.db2.gz PLGYLKVTSZCQMY-UHFFFAOYSA-N -1 3 323.356 2.695 20 0 DFADHM COc1ccc(OCCN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832443850 600734522 /nfs/dbraw/zinc/73/45/22/600734522.db2.gz AAAGUBXYRZSVPA-INIZCTEOSA-N -1 3 319.332 2.629 20 0 DFADHM C[C@@H](COCC(F)(F)F)N[C@H](C(=O)[O-])c1ccccc1F ZINC000827517290 600744098 /nfs/dbraw/zinc/74/40/98/600744098.db2.gz JINXHDFPISSXMP-KWQFWETISA-N -1 3 309.259 2.508 20 0 DFADHM O=C([O-])[C@@H](NCCn1cccn1)c1ccc(Cl)cc1Cl ZINC000833165121 600748976 /nfs/dbraw/zinc/74/89/76/600748976.db2.gz FUUZHJHYMLRKGK-LBPRGKRZSA-N -1 3 314.172 2.605 20 0 DFADHM CC(C)(C)C[C@H](CO)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819906643 607468859 /nfs/dbraw/zinc/46/88/59/607468859.db2.gz IFPDHIDIMRMGCL-SNVBAGLBSA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)(C)C[C@H](CO)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819906643 607468861 /nfs/dbraw/zinc/46/88/61/607468861.db2.gz IFPDHIDIMRMGCL-SNVBAGLBSA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)[C@H](CO)N(Cc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC000736359068 600956834 /nfs/dbraw/zinc/95/68/34/600956834.db2.gz TVEMXVYXLPRQQY-KRWDZBQOSA-N -1 3 317.385 2.997 20 0 DFADHM O=C([O-])[C@H]1CCCN(CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000739583455 601031154 /nfs/dbraw/zinc/03/11/54/601031154.db2.gz JJBIWQASBPAEBA-URZJAHPPSA-N -1 3 305.418 2.569 20 0 DFADHM CCN(Cc1nccs1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825444775 607487967 /nfs/dbraw/zinc/48/79/67/607487967.db2.gz QTIOCSGNFHIARL-NSHDSACASA-N -1 3 314.418 2.906 20 0 DFADHM CCN(Cc1nccs1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444775 607487969 /nfs/dbraw/zinc/48/79/69/607487969.db2.gz QTIOCSGNFHIARL-NSHDSACASA-N -1 3 314.418 2.906 20 0 DFADHM COc1cc(CN(C)C/C=C(\C)C(=O)[O-])ccc1OC(F)F ZINC000831989642 601154059 /nfs/dbraw/zinc/15/40/59/601154059.db2.gz ICVAWSFEBSPLPQ-UXBLZVDNSA-N -1 3 315.316 2.759 20 0 DFADHM C/C(=C\CN1CCC[C@H]1c1cccc2c1OCCO2)C(=O)[O-] ZINC000825741964 601162479 /nfs/dbraw/zinc/16/24/79/601162479.db2.gz UNKYATCAANKMEE-GMMCIKNFSA-N -1 3 303.358 2.626 20 0 DFADHM C/C(=C\CN1CCN(c2ccc(C)c(C)c2)C[C@@H]1C)C(=O)[O-] ZINC000825746426 601180440 /nfs/dbraw/zinc/18/04/40/601180440.db2.gz IFTJIIWLLFOBKQ-KAMPRCONSA-N -1 3 302.418 2.845 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1C[C@H]2CCCCN2C[C@@H]1CC ZINC000830363351 601323868 /nfs/dbraw/zinc/32/38/68/601323868.db2.gz SIBKSLDSLNDFAZ-LSDHHAIUSA-N -1 3 320.433 2.989 20 0 DFADHM C[C@@H]1c2ccc(F)cc2CCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825027949 607502637 /nfs/dbraw/zinc/50/26/37/607502637.db2.gz AFDBJCKTSXGDAX-LLVKDONJSA-N -1 3 324.363 2.520 20 0 DFADHM C[C@@H]1c2ccc(F)cc2CCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825027949 607502639 /nfs/dbraw/zinc/50/26/39/607502639.db2.gz AFDBJCKTSXGDAX-LLVKDONJSA-N -1 3 324.363 2.520 20 0 DFADHM O=C([O-])c1nn(CN2CC[C@@H](c3ccco3)C2)c2ccccc21 ZINC000833347096 601401008 /nfs/dbraw/zinc/40/10/08/601401008.db2.gz UGNGVAHHJFESCV-GFCCVEGCSA-N -1 3 311.341 2.775 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1CCC(c2cnn(C)c2)CC1 ZINC000830369303 601415909 /nfs/dbraw/zinc/41/59/09/601415909.db2.gz LXGSXKAGWVAQCJ-UHFFFAOYSA-N -1 3 317.389 2.653 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1CCC(n2ccnc2)CC1 ZINC000830369984 601418377 /nfs/dbraw/zinc/41/83/77/601418377.db2.gz WYCAYHGDIAEWRY-UHFFFAOYSA-N -1 3 303.362 2.574 20 0 DFADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000832916949 601425529 /nfs/dbraw/zinc/42/55/29/601425529.db2.gz UFPYBTQTSGCJCT-GASCZTMLSA-N -1 3 316.401 2.754 20 0 DFADHM COC[C@@H]1CCCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000831665854 601451546 /nfs/dbraw/zinc/45/15/46/601451546.db2.gz AIHLVGBRCQDAPT-LBPRGKRZSA-N -1 3 313.781 2.528 20 0 DFADHM Cc1ccccc1-c1cnc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)o1 ZINC000832975285 601511171 /nfs/dbraw/zinc/51/11/71/601511171.db2.gz SXMBETVCKCUSJT-OCCSQVGLSA-N -1 3 300.358 2.803 20 0 DFADHM COc1ccc(-c2nc(CN3C[C@H](C)[C@@H](C(=O)[O-])C3)co2)cc1 ZINC000832130113 601524727 /nfs/dbraw/zinc/52/47/27/601524727.db2.gz ZGMLLKVCHJDQEW-NHYWBVRUSA-N -1 3 316.357 2.503 20 0 DFADHM O=C([O-])c1cc(CNC2(c3ccc(F)cc3)CCOCC2)c[nH]1 ZINC000833296748 601833507 /nfs/dbraw/zinc/83/35/07/601833507.db2.gz UNVNRWYPEWJYNR-UHFFFAOYSA-N -1 3 318.348 2.648 20 0 DFADHM O=C([O-])CCC1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000833224512 601842657 /nfs/dbraw/zinc/84/26/57/601842657.db2.gz UVKJCLGZGUHMAT-HNNXBMFYSA-N -1 3 311.809 2.950 20 0 DFADHM COCc1cccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826164781 607531063 /nfs/dbraw/zinc/53/10/63/607531063.db2.gz PZTSSUQAXGRWHT-UHFFFAOYSA-N -1 3 314.320 2.731 20 0 DFADHM COCc1cccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826164781 607531064 /nfs/dbraw/zinc/53/10/64/607531064.db2.gz PZTSSUQAXGRWHT-UHFFFAOYSA-N -1 3 314.320 2.731 20 0 DFADHM CSc1ccc(NC(=O)[C@H](C)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000832780764 601920414 /nfs/dbraw/zinc/92/04/14/601920414.db2.gz DIOPAASBNJCIHE-MEDUHNTESA-N -1 3 322.430 2.532 20 0 DFADHM C[C@]1(C(=O)[O-])CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000828029051 601938998 /nfs/dbraw/zinc/93/89/98/601938998.db2.gz OIHWBSYLCOZSOY-INIZCTEOSA-N -1 3 322.311 2.916 20 0 DFADHM CC(C)N(C)C(=O)C1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000826930012 601943080 /nfs/dbraw/zinc/94/30/80/601943080.db2.gz BKTVXBPHKZWMIW-UHFFFAOYSA-N -1 3 324.446 2.525 20 0 DFADHM O=C([O-])NC[C@@H]1CCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000740645423 601958379 /nfs/dbraw/zinc/95/83/79/601958379.db2.gz GKHZNYYNJAQHOH-LBPRGKRZSA-N -1 3 317.414 2.900 20 0 DFADHM COc1cccc(C(C)(C)CNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826214647 607543873 /nfs/dbraw/zinc/54/38/73/607543873.db2.gz SKIRAXVTGKVUBA-UHFFFAOYSA-N -1 3 324.388 2.660 20 0 DFADHM COc1cccc(C(C)(C)CNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826214647 607543875 /nfs/dbraw/zinc/54/38/75/607543875.db2.gz SKIRAXVTGKVUBA-UHFFFAOYSA-N -1 3 324.388 2.660 20 0 DFADHM CCC(CC)(CC(=O)[O-])NCc1nc(-c2ccccc2)no1 ZINC000828804045 602208928 /nfs/dbraw/zinc/20/89/28/602208928.db2.gz FVIPMBMJLACRLD-UHFFFAOYSA-N -1 3 303.362 2.860 20 0 DFADHM COc1ccc(CNc2ccnc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826204012 607559795 /nfs/dbraw/zinc/55/97/95/607559795.db2.gz SKIAVBAYTFNLDW-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(CNc2ccnc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826204012 607559796 /nfs/dbraw/zinc/55/97/96/607559796.db2.gz SKIAVBAYTFNLDW-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM Cc1cc2ncn(CN3CCC(N(C)C(=O)[O-])CC3)c2cc1C ZINC000738248694 602528718 /nfs/dbraw/zinc/52/87/18/602528718.db2.gz AGCFYUKOFRQYEW-UHFFFAOYSA-N -1 3 316.405 2.685 20 0 DFADHM CN(C(=O)[O-])C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000203814131 602535808 /nfs/dbraw/zinc/53/58/08/602535808.db2.gz IMCOURAJEYHCSV-UHFFFAOYSA-N -1 3 312.797 2.793 20 0 DFADHM CN(C)Cc1cccc(NC(=O)CCC(C)(C)NC(=O)[O-])c1 ZINC000739615117 602790686 /nfs/dbraw/zinc/79/06/86/602790686.db2.gz MWDADPCEHGKMMB-UHFFFAOYSA-N -1 3 307.394 2.513 20 0 DFADHM CN(C)Cc1ccccc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000739615152 602822827 /nfs/dbraw/zinc/82/28/27/602822827.db2.gz NZAFVDWBAKDLBX-UHFFFAOYSA-N -1 3 307.394 2.513 20 0 DFADHM C[C@H]1C[C@H](C)N(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824875354 608049922 /nfs/dbraw/zinc/04/99/22/608049922.db2.gz LZKMJJBIRYDMQH-IUCAKERBSA-N -1 3 322.210 2.864 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2Br)C[C@@H]1C ZINC000824991459 608050491 /nfs/dbraw/zinc/05/04/91/608050491.db2.gz BHOQMMMGLRBTNL-IUCAKERBSA-N -1 3 322.210 2.721 20 0 DFADHM CN(C)Cc1cccc(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000739615080 603167780 /nfs/dbraw/zinc/16/77/80/603167780.db2.gz LRZDIEPWRXQMAV-ZFWWWQNUSA-N -1 3 319.405 2.513 20 0 DFADHM COc1cccc(F)c1[C@@H](C)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000829565016 603173463 /nfs/dbraw/zinc/17/34/63/603173463.db2.gz QIESYUGUYYGWIN-NEPJUHHUSA-N -1 3 310.369 2.875 20 0 DFADHM CCCN1CCC[C@H]1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826920892 603181193 /nfs/dbraw/zinc/18/11/93/603181193.db2.gz KNCDDSWMUNMKIO-DOMZBBRYSA-N -1 3 319.405 2.828 20 0 DFADHM C[C@H]1CCCC[C@H]1OCCNCc1ccc(NC(=O)[O-])nc1 ZINC000825897636 603537955 /nfs/dbraw/zinc/53/79/55/603537955.db2.gz YSTRCIPIOGJLEA-GXTWGEPZSA-N -1 3 307.394 2.856 20 0 DFADHM O=C([O-])Nc1ccc(CNC[C@H]2OCCc3sccc32)cn1 ZINC000832842376 603558852 /nfs/dbraw/zinc/55/88/52/603558852.db2.gz WMQYOHFJOHBINX-GFCCVEGCSA-N -1 3 319.386 2.637 20 0 DFADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)[C@H](O)c1cccc(F)c1 ZINC000825503962 603559469 /nfs/dbraw/zinc/55/94/69/603559469.db2.gz ZTIMGFTUOLTBFT-BONVTDFDSA-N -1 3 319.336 2.522 20 0 DFADHM CCC(CC)(CNCc1cccc2c1OCCCO2)NC(=O)[O-] ZINC000826560949 603603167 /nfs/dbraw/zinc/60/31/67/603603167.db2.gz DGWCNKDVMVDABH-UHFFFAOYSA-N -1 3 322.405 2.764 20 0 DFADHM CCn1c(CNCC(CC)(CC)NC(=O)[O-])nc2ccccc21 ZINC000827694569 603603978 /nfs/dbraw/zinc/60/39/78/603603978.db2.gz VBBQLBYAIAHHQX-UHFFFAOYSA-N -1 3 318.421 2.972 20 0 DFADHM CCC[C@@H](NC(=O)[O-])c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000826764158 603639656 /nfs/dbraw/zinc/63/96/56/603639656.db2.gz GYVDDZHIRZGUJF-CYBMUJFWSA-N -1 3 318.377 2.907 20 0 DFADHM COCCCc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826157129 607644785 /nfs/dbraw/zinc/64/47/85/607644785.db2.gz IRQFWIRLJXGGEV-UHFFFAOYSA-N -1 3 301.375 2.569 20 0 DFADHM COCCCc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826157129 607644786 /nfs/dbraw/zinc/64/47/86/607644786.db2.gz IRQFWIRLJXGGEV-UHFFFAOYSA-N -1 3 301.375 2.569 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1OCCN(C)c1ccccc1 ZINC000826254881 607648412 /nfs/dbraw/zinc/64/84/12/607648412.db2.gz DIJYUEBMJYYRHB-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM COc1ccc(F)cc1CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000829414651 603787258 /nfs/dbraw/zinc/78/72/58/603787258.db2.gz VHWMADBTHMTWCV-UHFFFAOYSA-N -1 3 310.369 2.845 20 0 DFADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC000825422410 603864602 /nfs/dbraw/zinc/86/46/02/603864602.db2.gz IFGVOHXLUXLCQU-FRRDWIJNSA-N -1 3 319.405 2.827 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H](C)C(C)(C)C ZINC000826243301 607660072 /nfs/dbraw/zinc/66/00/72/607660072.db2.gz CAOQDSJPEVBPFG-LLVKDONJSA-N -1 3 301.394 2.682 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H](C)C(C)(C)C ZINC000826243301 607660073 /nfs/dbraw/zinc/66/00/73/607660073.db2.gz CAOQDSJPEVBPFG-LLVKDONJSA-N -1 3 301.394 2.682 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCC1CCCCC1 ZINC000826248783 607662078 /nfs/dbraw/zinc/66/20/78/607662078.db2.gz XDXAWLLBPXRNKY-UHFFFAOYSA-N -1 3 313.405 2.875 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCC1CCCCC1 ZINC000826248783 607662080 /nfs/dbraw/zinc/66/20/80/607662080.db2.gz XDXAWLLBPXRNKY-UHFFFAOYSA-N -1 3 313.405 2.875 20 0 DFADHM Cc1cc(F)ccc1[C@H](O)CN1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000830067648 603994910 /nfs/dbraw/zinc/99/49/10/603994910.db2.gz AUZJISDBXBIJLX-DAXOMENPSA-N -1 3 324.396 2.678 20 0 DFADHM COc1cc(C)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826178297 607666301 /nfs/dbraw/zinc/66/63/01/607666301.db2.gz ROLZDOJIIJCVMR-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM COc1cc(C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826178297 607666303 /nfs/dbraw/zinc/66/63/03/607666303.db2.gz ROLZDOJIIJCVMR-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM Cc1ccc(CN(C)C)cc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000830307776 604083852 /nfs/dbraw/zinc/08/38/52/604083852.db2.gz FLDVIUCQXDNIHD-UHFFFAOYSA-N -1 3 321.421 2.822 20 0 DFADHM O=C([O-])N1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000831947307 604176382 /nfs/dbraw/zinc/17/63/82/604176382.db2.gz FRCIGLGMHYQUSP-KRWDZBQOSA-N -1 3 311.385 2.903 20 0 DFADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CCOc2ccccc2F)C1 ZINC000825264510 604187634 /nfs/dbraw/zinc/18/76/34/604187634.db2.gz KYWOHSQBGOMYGF-QWHCGFSZSA-N -1 3 310.369 2.573 20 0 DFADHM COc1ccc(OC)c(CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000829494035 604190882 /nfs/dbraw/zinc/19/08/82/604190882.db2.gz 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ZINC000826351286 607685061 /nfs/dbraw/zinc/68/50/61/607685061.db2.gz GXHAUMUEWSFLFJ-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM CC(C)[C@H](CN[C@@H](C)c1cnn(-c2ccccc2)c1)NC(=O)[O-] ZINC000825485905 604333664 /nfs/dbraw/zinc/33/36/64/604333664.db2.gz SIBOIQLTNYWING-BBRMVZONSA-N -1 3 316.405 2.815 20 0 DFADHM CCn1cc([C@H](C)NC[C@@H](NC(=O)[O-])c2ccccc2)cn1 ZINC000827701351 604378727 /nfs/dbraw/zinc/37/87/27/604378727.db2.gz ZDUICABQLXDQML-SWLSCSKDSA-N -1 3 302.378 2.563 20 0 DFADHM Cc1cc([C@H](C)N2CCC(n3ccnc3)CC2)oc1C(=O)[O-] ZINC000832870489 604384661 /nfs/dbraw/zinc/38/46/61/604384661.db2.gz ITHZWPUSZJZPHI-LBPRGKRZSA-N -1 3 303.362 2.881 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000826244870 607695911 /nfs/dbraw/zinc/69/59/11/607695911.db2.gz GEYQYNHXKLLFLW-DOMZBBRYSA-N -1 3 311.389 2.580 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000826244870 607695912 /nfs/dbraw/zinc/69/59/12/607695912.db2.gz GEYQYNHXKLLFLW-DOMZBBRYSA-N -1 3 311.389 2.580 20 0 DFADHM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1n[nH]c2ccccc21 ZINC000833193994 604468214 /nfs/dbraw/zinc/46/82/14/604468214.db2.gz WPOMCGQVYQTNFG-QGZVFWFLSA-N -1 3 307.353 2.574 20 0 DFADHM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1[nH]nc2ccccc21 ZINC000833193994 604468217 /nfs/dbraw/zinc/46/82/17/604468217.db2.gz WPOMCGQVYQTNFG-QGZVFWFLSA-N -1 3 307.353 2.574 20 0 DFADHM COc1cccc(CN2CCC(C(=O)[O-])CC2)c1OC(C)C ZINC000066114681 604517275 /nfs/dbraw/zinc/51/72/75/604517275.db2.gz OHHSUECXRVBVQL-UHFFFAOYSA-N -1 3 307.390 2.779 20 0 DFADHM CC(C)OC1CCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000833505173 604596024 /nfs/dbraw/zinc/59/60/24/604596024.db2.gz WYNWZDHGTUTQEN-AWEZNQCLSA-N -1 3 321.417 2.928 20 0 DFADHM O=C([O-])c1cc(CN2CCCO[C@@H](c3ccccc3)C2)c[nH]1 ZINC000833779995 604632379 /nfs/dbraw/zinc/63/23/79/604632379.db2.gz QBIWQRBAFTYIBL-MRXNPFEDSA-N -1 3 300.358 2.677 20 0 DFADHM CCC1(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)CCCC1 ZINC000825170673 607707369 /nfs/dbraw/zinc/70/73/69/607707369.db2.gz 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/nfs/dbraw/zinc/37/38/95/605373895.db2.gz XQEVLMUVHRDTKI-AWEZNQCLSA-N -1 3 301.386 2.927 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1CCC([C@H]2CCOC2)CC1 ZINC000833678927 605402691 /nfs/dbraw/zinc/40/26/91/605402691.db2.gz RWDYQWYUVCUCOK-ZDUSSCGKSA-N -1 3 307.390 2.789 20 0 DFADHM O=C([O-])NCCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000834242866 605430390 /nfs/dbraw/zinc/43/03/90/605430390.db2.gz GVMWQJRNDFHCGJ-HNNXBMFYSA-N -1 3 319.792 2.876 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3ccnc(Cl)c3)C[C@H]21 ZINC000834180259 605432277 /nfs/dbraw/zinc/43/22/77/605432277.db2.gz JXWDTZVHUGXCAQ-JHJVBQTASA-N -1 3 309.797 2.603 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3ccncc3Cl)C[C@@H]21 ZINC000834177812 605451743 /nfs/dbraw/zinc/45/17/43/605451743.db2.gz CRIGVSLBMPIYJM-SCDSUCTJSA-N -1 3 309.797 2.603 20 0 DFADHM Cc1ncsc1CN1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000833917888 605493958 /nfs/dbraw/zinc/49/39/58/605493958.db2.gz MKRXJSIFHXGLPK-CYBMUJFWSA-N -1 3 309.435 2.806 20 0 DFADHM 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AXHOBRUMDKKIHC-OAHLLOKOSA-N -1 3 311.385 2.952 20 0 DFADHM CC(C)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824185150 607769264 /nfs/dbraw/zinc/76/92/64/607769264.db2.gz RVJOGUWXACMRAE-UHFFFAOYSA-N -1 3 314.374 2.585 20 0 DFADHM CC(C)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824185150 607769265 /nfs/dbraw/zinc/76/92/65/607769265.db2.gz RVJOGUWXACMRAE-UHFFFAOYSA-N -1 3 314.374 2.585 20 0 DFADHM O=C([O-])Nc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cn1 ZINC000834261420 605768174 /nfs/dbraw/zinc/76/81/74/605768174.db2.gz AOBPBUDBXZQDOW-ZDUSSCGKSA-N -1 3 318.377 2.517 20 0 DFADHM O=C([O-])Nc1cccc(CN(CCO)Cc2ccccc2)c1 ZINC000834268205 605787202 /nfs/dbraw/zinc/78/72/02/605787202.db2.gz GTVBYFFTXYLEOV-UHFFFAOYSA-N -1 3 300.358 2.771 20 0 DFADHM Cc1ccc([C@H](O)CN[C@@H]2C[C@@H](NC(=O)[O-])c3ccccc32)o1 ZINC000833905697 605799094 /nfs/dbraw/zinc/79/90/94/605799094.db2.gz XLKUUYKOEWWVNX-RBSFLKMASA-N -1 3 316.357 2.665 20 0 DFADHM Cc1cccnc1CN1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000833910153 605804874 /nfs/dbraw/zinc/80/48/74/605804874.db2.gz HMUVIMRDVAQZNG-MRXNPFEDSA-N -1 3 303.406 2.744 20 0 DFADHM O=C([O-])N1CC[C@H](NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000831963169 605847264 /nfs/dbraw/zinc/84/72/64/605847264.db2.gz BCLRVZOUVCDJQX-AWEZNQCLSA-N -1 3 313.357 2.716 20 0 DFADHM O=C([O-])Nc1cccc(CN[C@@H](CCO)c2ccccc2)c1 ZINC000834269646 605954592 /nfs/dbraw/zinc/95/45/92/605954592.db2.gz KQYDOXOHYSMAGL-INIZCTEOSA-N -1 3 300.358 2.990 20 0 DFADHM c1ccc(CSCCNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000823788278 606027881 /nfs/dbraw/zinc/02/78/81/606027881.db2.gz XBDZNIINUPPNGD-UHFFFAOYSA-N -1 3 312.402 2.607 20 0 DFADHM c1ccc(CSCCNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000823788278 606027887 /nfs/dbraw/zinc/02/78/87/606027887.db2.gz XBDZNIINUPPNGD-UHFFFAOYSA-N -1 3 312.402 2.607 20 0 DFADHM C[C@@H](Nc1ccncc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461935 606040569 /nfs/dbraw/zinc/04/05/69/606040569.db2.gz TUSSPZPGNJJPCI-SECBINFHSA-N -1 3 300.753 2.510 20 0 DFADHM C[C@H](Nc1nc(C2CC2)ns1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461080 606041307 /nfs/dbraw/zinc/04/13/07/606041307.db2.gz FAFKONNSZRWLPK-QMMMGPOBSA-N -1 3 313.390 2.769 20 0 DFADHM C[C@H](Nc1nc(C2CC2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461080 606041313 /nfs/dbraw/zinc/04/13/13/606041313.db2.gz FAFKONNSZRWLPK-QMMMGPOBSA-N -1 3 313.390 2.769 20 0 DFADHM Cc1cccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822299849 606055625 /nfs/dbraw/zinc/05/56/25/606055625.db2.gz WWVMAAQTWLWGFE-INIZCTEOSA-N -1 3 306.373 2.912 20 0 DFADHM Cc1cccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822299849 606055630 /nfs/dbraw/zinc/05/56/30/606055630.db2.gz WWVMAAQTWLWGFE-INIZCTEOSA-N -1 3 306.373 2.912 20 0 DFADHM Fc1ccc(C[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822766660 606056809 /nfs/dbraw/zinc/05/68/09/606056809.db2.gz MGVSAPSGOQFHKS-CQSZACIVSA-N -1 3 324.363 2.612 20 0 DFADHM Fc1ccc(C[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822766660 606056813 /nfs/dbraw/zinc/05/68/13/606056813.db2.gz MGVSAPSGOQFHKS-CQSZACIVSA-N -1 3 324.363 2.612 20 0 DFADHM CO[C@]1(C)C[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000821678863 606062046 /nfs/dbraw/zinc/06/20/46/606062046.db2.gz TZAWVSJKOUKLRN-BLLLJJGKSA-N -1 3 319.384 2.646 20 0 DFADHM CO[C@]1(C)C[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000821678863 606062053 /nfs/dbraw/zinc/06/20/53/606062053.db2.gz TZAWVSJKOUKLRN-BLLLJJGKSA-N -1 3 319.384 2.646 20 0 DFADHM CC1(c2ccccc2)CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820634145 606077746 /nfs/dbraw/zinc/07/77/46/606077746.db2.gz FRRLVFBMENFJHE-UHFFFAOYSA-N -1 3 306.373 2.794 20 0 DFADHM CC1(c2ccccc2)CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820634145 606077752 /nfs/dbraw/zinc/07/77/52/606077752.db2.gz FRRLVFBMENFJHE-UHFFFAOYSA-N -1 3 306.373 2.794 20 0 DFADHM CC(C)(C)[C@H](NCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000819899812 606086972 /nfs/dbraw/zinc/08/69/72/606086972.db2.gz ZRJQSPVCTZBIJZ-LBPRGKRZSA-N -1 3 313.327 2.933 20 0 DFADHM CC(C)(C)[C@H](NCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000819899812 606086977 /nfs/dbraw/zinc/08/69/77/606086977.db2.gz ZRJQSPVCTZBIJZ-LBPRGKRZSA-N -1 3 313.327 2.933 20 0 DFADHM CC(C)(C)[C@H](NCc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000819898400 606087167 /nfs/dbraw/zinc/08/71/67/606087167.db2.gz FRIGXRBUBYIENW-LBPRGKRZSA-N -1 3 313.327 2.933 20 0 DFADHM CC(C)(C)[C@H](NCc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000819898400 606087171 /nfs/dbraw/zinc/08/71/71/606087171.db2.gz FRIGXRBUBYIENW-LBPRGKRZSA-N -1 3 313.327 2.933 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC[C@H]1c1ccccc1 ZINC000820767133 606091938 /nfs/dbraw/zinc/09/19/38/606091938.db2.gz GKZCXNUGYDKBCE-CZUORRHYSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC[C@H]1c1ccccc1 ZINC000820767133 606091941 /nfs/dbraw/zinc/09/19/41/606091941.db2.gz GKZCXNUGYDKBCE-CZUORRHYSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@H](Nc1ccncc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820462292 606095499 /nfs/dbraw/zinc/09/54/99/606095499.db2.gz XAQGGECNRNQKPR-VIFPVBQESA-N -1 3 300.753 2.510 20 0 DFADHM CCCCO[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821071471 606098352 /nfs/dbraw/zinc/09/83/52/606098352.db2.gz FWSCNLSJUCGFGE-KGLIPLIRSA-N -1 3 316.409 2.657 20 0 DFADHM CCCCO[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821071471 606098356 /nfs/dbraw/zinc/09/83/56/606098356.db2.gz FWSCNLSJUCGFGE-KGLIPLIRSA-N -1 3 316.409 2.657 20 0 DFADHM CCS[C@@H]1CCCC[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000821457057 606105671 /nfs/dbraw/zinc/10/56/71/606105671.db2.gz UKQNFEPCRJTNGT-NWDGAFQWSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@@H]1CCCC[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000821457057 606105673 /nfs/dbraw/zinc/10/56/73/606105673.db2.gz UKQNFEPCRJTNGT-NWDGAFQWSA-N -1 3 304.423 2.738 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1NCCc1cscn1 ZINC000822585760 606126887 /nfs/dbraw/zinc/12/68/87/606126887.db2.gz MTOBAXAGESSWIJ-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1NCCc1cscn1 ZINC000822585760 606126889 /nfs/dbraw/zinc/12/68/89/606126889.db2.gz MTOBAXAGESSWIJ-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM C[C@H](NC(=O)[C@H]1CC12CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820323058 606149611 /nfs/dbraw/zinc/14/96/11/606149611.db2.gz WUENOMLRMBYBGV-SMDDNHRTSA-N -1 3 311.389 2.624 20 0 DFADHM C[C@H](NC(=O)[C@H]1CC12CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820323058 606149614 /nfs/dbraw/zinc/14/96/14/606149614.db2.gz WUENOMLRMBYBGV-SMDDNHRTSA-N -1 3 311.389 2.624 20 0 DFADHM O=[S@@](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2ccccc21 ZINC000823606764 606156187 /nfs/dbraw/zinc/15/61/87/606156187.db2.gz LSWINRYSJRLHDA-MWTRTKDXSA-N -1 3 324.409 2.803 20 0 DFADHM O=[S@@](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000823606764 606156188 /nfs/dbraw/zinc/15/61/88/606156188.db2.gz LSWINRYSJRLHDA-MWTRTKDXSA-N -1 3 324.409 2.803 20 0 DFADHM Fc1cc(NCc2ccccc2-c2nnn[n-]2)cc(F)c1F ZINC000822753126 606156810 /nfs/dbraw/zinc/15/68/10/606156810.db2.gz FTHVBYWUYVKAFR-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cc(NCc2ccccc2-c2nn[n-]n2)cc(F)c1F ZINC000822753126 606156811 /nfs/dbraw/zinc/15/68/11/606156811.db2.gz FTHVBYWUYVKAFR-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CCc1cnc(CN(C)c2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000821497001 606164264 /nfs/dbraw/zinc/16/42/64/606164264.db2.gz NYTVQGQTOZKGAR-UHFFFAOYSA-N -1 3 318.381 2.661 20 0 DFADHM CCc1cnc(CN(C)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000821497001 606164265 /nfs/dbraw/zinc/16/42/65/606164265.db2.gz NYTVQGQTOZKGAR-UHFFFAOYSA-N -1 3 318.381 2.661 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CC12CCCC2 ZINC000823426858 606168443 /nfs/dbraw/zinc/16/84/43/606168443.db2.gz PAAZUZWDGRCPRF-CYBMUJFWSA-N -1 3 316.336 2.629 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CC12CCCC2 ZINC000823426858 606168444 /nfs/dbraw/zinc/16/84/44/606168444.db2.gz PAAZUZWDGRCPRF-CYBMUJFWSA-N -1 3 316.336 2.629 20 0 DFADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1CC1 ZINC000819875671 606182088 /nfs/dbraw/zinc/18/20/88/606182088.db2.gz BHDDZUKYZWHANG-QMMMGPOBSA-N -1 3 317.418 2.792 20 0 DFADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1CC1 ZINC000819875671 606182089 /nfs/dbraw/zinc/18/20/89/606182089.db2.gz BHDDZUKYZWHANG-QMMMGPOBSA-N -1 3 317.418 2.792 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@H]1C1CC1 ZINC000823303901 606209511 /nfs/dbraw/zinc/20/95/11/606209511.db2.gz XXVZKHNBDHZBSM-QWRGUYRKSA-N -1 3 303.753 2.505 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@H]1C1CC1 ZINC000823303901 606209513 /nfs/dbraw/zinc/20/95/13/606209513.db2.gz XXVZKHNBDHZBSM-QWRGUYRKSA-N -1 3 303.753 2.505 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC000821465053 606244776 /nfs/dbraw/zinc/24/47/76/606244776.db2.gz AKRJJJSEQDVQEB-WDEREUQCSA-N -1 3 317.418 2.784 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC000821465053 606244777 /nfs/dbraw/zinc/24/47/77/606244777.db2.gz AKRJJJSEQDVQEB-WDEREUQCSA-N -1 3 317.418 2.784 20 0 DFADHM CCCCc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821077703 606246413 /nfs/dbraw/zinc/24/64/13/606246413.db2.gz QTFMINNRVKLCKQ-UHFFFAOYSA-N -1 3 310.361 2.790 20 0 DFADHM CCCCc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821077703 606246414 /nfs/dbraw/zinc/24/64/14/606246414.db2.gz QTFMINNRVKLCKQ-UHFFFAOYSA-N -1 3 310.361 2.790 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000823343746 606263938 /nfs/dbraw/zinc/26/39/38/606263938.db2.gz FUKGNMKKOWFCMQ-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000823343746 606263941 /nfs/dbraw/zinc/26/39/41/606263941.db2.gz FUKGNMKKOWFCMQ-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM CCCCS[C@H](C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821077808 606271838 /nfs/dbraw/zinc/27/18/38/606271838.db2.gz UTFQIOHBXYYBAS-SECBINFHSA-N -1 3 323.397 2.866 20 0 DFADHM CCCCS[C@H](C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821077808 606271840 /nfs/dbraw/zinc/27/18/40/606271840.db2.gz UTFQIOHBXYYBAS-SECBINFHSA-N -1 3 323.397 2.866 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000822226575 606272820 /nfs/dbraw/zinc/27/28/20/606272820.db2.gz YVWUGDYOTSHWQG-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000822226575 606272821 /nfs/dbraw/zinc/27/28/21/606272821.db2.gz YVWUGDYOTSHWQG-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CC(C)CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC000820072079 606275345 /nfs/dbraw/zinc/27/53/45/606275345.db2.gz AUCPDGCZZGZKCN-ZDUSSCGKSA-N -1 3 318.425 2.776 20 0 DFADHM CC(C)CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC000820072079 606275347 /nfs/dbraw/zinc/27/53/47/606275347.db2.gz AUCPDGCZZGZKCN-ZDUSSCGKSA-N -1 3 318.425 2.776 20 0 DFADHM CC(C)CCN(CCC(C)C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820076694 606279722 /nfs/dbraw/zinc/27/97/22/606279722.db2.gz RKWBCVVWZRAZIY-UHFFFAOYSA-N -1 3 318.425 2.729 20 0 DFADHM CC(C)CCN(CCC(C)C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820076694 606279723 /nfs/dbraw/zinc/27/97/23/606279723.db2.gz RKWBCVVWZRAZIY-UHFFFAOYSA-N -1 3 318.425 2.729 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)=C(C)C ZINC000821400980 606283152 /nfs/dbraw/zinc/28/31/52/606283152.db2.gz RIFWHXDIGXNXBH-UHFFFAOYSA-N -1 3 301.350 2.560 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)=C(C)C ZINC000821400980 606283154 /nfs/dbraw/zinc/28/31/54/606283154.db2.gz RIFWHXDIGXNXBH-UHFFFAOYSA-N -1 3 301.350 2.560 20 0 DFADHM C/C=C(\C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000820826251 606283181 /nfs/dbraw/zinc/28/31/81/606283181.db2.gz LPKFUPHLGJRJFR-WLRTZDKTSA-N -1 3 313.405 2.818 20 0 DFADHM C/C=C(\C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000820826251 606283183 /nfs/dbraw/zinc/28/31/83/606283183.db2.gz LPKFUPHLGJRJFR-WLRTZDKTSA-N -1 3 313.405 2.818 20 0 DFADHM COC(=O)[C@@H](Nc1ccc(C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645264 606297186 /nfs/dbraw/zinc/29/71/86/606297186.db2.gz VKRBUKNAAWQLFV-HNNXBMFYSA-N -1 3 323.356 2.501 20 0 DFADHM COC(=O)[C@@H](Nc1ccc(C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645264 606297187 /nfs/dbraw/zinc/29/71/87/606297187.db2.gz VKRBUKNAAWQLFV-HNNXBMFYSA-N -1 3 323.356 2.501 20 0 DFADHM COC(=O)[C@H](Nc1ccc(C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645265 606297307 /nfs/dbraw/zinc/29/73/07/606297307.db2.gz VKRBUKNAAWQLFV-OAHLLOKOSA-N -1 3 323.356 2.501 20 0 DFADHM COC(=O)[C@H](Nc1ccc(C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645265 606297308 /nfs/dbraw/zinc/29/73/08/606297308.db2.gz VKRBUKNAAWQLFV-OAHLLOKOSA-N -1 3 323.356 2.501 20 0 DFADHM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823332287 606313075 /nfs/dbraw/zinc/31/30/75/606313075.db2.gz MPTJCUKQPSQLEU-UHFFFAOYSA-N -1 3 323.143 2.754 20 0 DFADHM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823332287 606313077 /nfs/dbraw/zinc/31/30/77/606313077.db2.gz MPTJCUKQPSQLEU-UHFFFAOYSA-N -1 3 323.143 2.754 20 0 DFADHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Cl)cc1 ZINC000821154793 606313259 /nfs/dbraw/zinc/31/32/59/606313259.db2.gz ROTKYQPZBXCHRQ-UHFFFAOYSA-N -1 3 316.752 2.515 20 0 DFADHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Cl)cc1 ZINC000821154793 606313260 /nfs/dbraw/zinc/31/32/60/606313260.db2.gz ROTKYQPZBXCHRQ-UHFFFAOYSA-N -1 3 316.752 2.515 20 0 DFADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc2ccccc21 ZINC000821573428 606317061 /nfs/dbraw/zinc/31/70/61/606317061.db2.gz PUAMIRFUXJNTKO-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc2ccccc21 ZINC000821573428 606317063 /nfs/dbraw/zinc/31/70/63/606317063.db2.gz PUAMIRFUXJNTKO-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CCCSCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821138488 606352844 /nfs/dbraw/zinc/35/28/44/606352844.db2.gz AKXBNAUNELRBAT-JTQLQIEISA-N -1 3 306.391 2.614 20 0 DFADHM CCCSCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821138488 606352846 /nfs/dbraw/zinc/35/28/46/606352846.db2.gz AKXBNAUNELRBAT-JTQLQIEISA-N -1 3 306.391 2.614 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820870404 606355934 /nfs/dbraw/zinc/35/59/34/606355934.db2.gz SDFRPVLYFQXOMY-ZJUUUORDSA-N -1 3 320.372 2.952 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820870404 606355935 /nfs/dbraw/zinc/35/59/35/606355935.db2.gz SDFRPVLYFQXOMY-ZJUUUORDSA-N -1 3 320.372 2.952 20 0 DFADHM CC(C)CO[C@@H](C)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820097519 606357027 /nfs/dbraw/zinc/35/70/27/606357027.db2.gz PKUCPMYIKRLLTD-NEPJUHHUSA-N -1 3 318.377 2.532 20 0 DFADHM CC(C)CO[C@@H](C)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820097519 606357029 /nfs/dbraw/zinc/35/70/29/606357029.db2.gz PKUCPMYIKRLLTD-NEPJUHHUSA-N -1 3 318.377 2.532 20 0 DFADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820649068 606362263 /nfs/dbraw/zinc/36/22/63/606362263.db2.gz IGYPRTPTHRCMCA-MWLCHTKSSA-N -1 3 319.434 2.873 20 0 DFADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820649068 606362265 /nfs/dbraw/zinc/36/22/65/606362265.db2.gz IGYPRTPTHRCMCA-MWLCHTKSSA-N -1 3 319.434 2.873 20 0 DFADHM C[C@@H](Nc1ccn(CC(F)F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461731 606372179 /nfs/dbraw/zinc/37/21/79/606372179.db2.gz QWFFDXBQYSEOKA-SECBINFHSA-N -1 3 319.319 2.501 20 0 DFADHM C[C@@H](Nc1ccn(CC(F)F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461731 606372180 /nfs/dbraw/zinc/37/21/80/606372180.db2.gz QWFFDXBQYSEOKA-SECBINFHSA-N -1 3 319.319 2.501 20 0 DFADHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c(F)cc1F ZINC000822184012 606372376 /nfs/dbraw/zinc/37/23/76/606372376.db2.gz NMBVMOCEJVGVFY-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c(F)cc1F ZINC000822184012 606372378 /nfs/dbraw/zinc/37/23/78/606372378.db2.gz NMBVMOCEJVGVFY-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Fc1cccc2c1CCCN2Cc1cccc(-c2nnn[n-]2)c1 ZINC000822792511 606377019 /nfs/dbraw/zinc/37/70/19/606377019.db2.gz ZDAXGCORQIEYRK-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM Fc1cccc2c1CCCN2Cc1cccc(-c2nn[n-]n2)c1 ZINC000822792511 606377021 /nfs/dbraw/zinc/37/70/21/606377021.db2.gz ZDAXGCORQIEYRK-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)CCC1 ZINC000820949552 606391803 /nfs/dbraw/zinc/39/18/03/606391803.db2.gz CIOIZTCLZGYNBN-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC000820949552 606391804 /nfs/dbraw/zinc/39/18/04/606391804.db2.gz CIOIZTCLZGYNBN-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCCCO[C@@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1(C)C ZINC000821071393 606402680 /nfs/dbraw/zinc/40/26/80/606402680.db2.gz CPKDJXOCLAKPSG-QWHCGFSZSA-N -1 3 316.409 2.657 20 0 DFADHM CCCCO[C@@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1(C)C ZINC000821071393 606402682 /nfs/dbraw/zinc/40/26/82/606402682.db2.gz CPKDJXOCLAKPSG-QWHCGFSZSA-N -1 3 316.409 2.657 20 0 DFADHM OCC1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CCCCC1 ZINC000823713738 606432825 /nfs/dbraw/zinc/43/28/25/606432825.db2.gz JMTUWRPMWMLPPQ-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM OCC1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CCCCC1 ZINC000823713738 606432827 /nfs/dbraw/zinc/43/28/27/606432827.db2.gz JMTUWRPMWMLPPQ-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM CC(C)CC(C)(C)CNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820051805 606449221 /nfs/dbraw/zinc/44/92/21/606449221.db2.gz WQQROULNYDQQQD-UHFFFAOYSA-N -1 3 315.421 2.598 20 0 DFADHM CC(C)CC(C)(C)CNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820051805 606449223 /nfs/dbraw/zinc/44/92/23/606449223.db2.gz WQQROULNYDQQQD-UHFFFAOYSA-N -1 3 315.421 2.598 20 0 DFADHM OCc1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823726635 606456312 /nfs/dbraw/zinc/45/63/12/606456312.db2.gz FVZYWTVKZSAQJS-UHFFFAOYSA-N -1 3 315.764 2.625 20 0 DFADHM OCc1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823726635 606456313 /nfs/dbraw/zinc/45/63/13/606456313.db2.gz FVZYWTVKZSAQJS-UHFFFAOYSA-N -1 3 315.764 2.625 20 0 DFADHM CCCCOCCCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821071354 606466785 /nfs/dbraw/zinc/46/67/85/606466785.db2.gz BRLIHYLSVUQZFK-UHFFFAOYSA-N -1 3 324.406 2.682 20 0 DFADHM CCCCOCCCCOC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821071354 606466786 /nfs/dbraw/zinc/46/67/86/606466786.db2.gz BRLIHYLSVUQZFK-UHFFFAOYSA-N -1 3 324.406 2.682 20 0 DFADHM Cc1ccc(-c2noc(-c3cc(-c4nnn[n-]4)cs3)n2)cc1 ZINC000822224054 606470979 /nfs/dbraw/zinc/47/09/79/606470979.db2.gz UMZHGTDEWVMVLP-UHFFFAOYSA-N -1 3 310.342 2.954 20 0 DFADHM Cc1ccc(-c2noc(-c3cc(-c4nn[n-]n4)cs3)n2)cc1 ZINC000822224054 606470980 /nfs/dbraw/zinc/47/09/80/606470980.db2.gz UMZHGTDEWVMVLP-UHFFFAOYSA-N -1 3 310.342 2.954 20 0 DFADHM CC(C)[C@@H]1OCC[C@H]1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820047523 606472217 /nfs/dbraw/zinc/47/22/17/606472217.db2.gz ZJPWVNMPQLCTBC-XPTSAGLGSA-N -1 3 323.347 2.618 20 0 DFADHM CC(C)[C@@H]1OCC[C@H]1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820047523 606472219 /nfs/dbraw/zinc/47/22/19/606472219.db2.gz ZJPWVNMPQLCTBC-XPTSAGLGSA-N -1 3 323.347 2.618 20 0 DFADHM CC(C)[C@@H]1OCC[C@@H]1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820047369 606473711 /nfs/dbraw/zinc/47/37/11/606473711.db2.gz YDONBSCBPXAAJN-YGRLFVJLSA-N -1 3 321.812 2.993 20 0 DFADHM CC(C)[C@@H]1OCC[C@@H]1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820047369 606473712 /nfs/dbraw/zinc/47/37/12/606473712.db2.gz YDONBSCBPXAAJN-YGRLFVJLSA-N -1 3 321.812 2.993 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)C1(Cc2ccccc2)CC1 ZINC000823367964 606477678 /nfs/dbraw/zinc/47/76/78/606477678.db2.gz PGMIWROXWWMDMC-UHFFFAOYSA-N -1 3 319.368 2.828 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)C1(Cc2ccccc2)CC1 ZINC000823367964 606477679 /nfs/dbraw/zinc/47/76/79/606477679.db2.gz PGMIWROXWWMDMC-UHFFFAOYSA-N -1 3 319.368 2.828 20 0 DFADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1Cl ZINC000823107608 606486161 /nfs/dbraw/zinc/48/61/61/606486161.db2.gz AWCHTGJTHGXROM-UHFFFAOYSA-N -1 3 313.748 2.701 20 0 DFADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1Cl ZINC000823107608 606486162 /nfs/dbraw/zinc/48/61/62/606486162.db2.gz AWCHTGJTHGXROM-UHFFFAOYSA-N -1 3 313.748 2.701 20 0 DFADHM Cc1ccc(C)c(OC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822231964 606489110 /nfs/dbraw/zinc/48/91/10/606489110.db2.gz OMAPPXDYWFLQPF-UHFFFAOYSA-N -1 3 322.368 2.940 20 0 DFADHM Cc1ccc(C)c(OC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822231964 606489111 /nfs/dbraw/zinc/48/91/11/606489111.db2.gz OMAPPXDYWFLQPF-UHFFFAOYSA-N -1 3 322.368 2.940 20 0 DFADHM CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000820921001 606490690 /nfs/dbraw/zinc/49/06/90/606490690.db2.gz USLLUXNMNXPSAQ-GFCCVEGCSA-N -1 3 313.386 2.809 20 0 DFADHM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000820921001 606490691 /nfs/dbraw/zinc/49/06/91/606490691.db2.gz USLLUXNMNXPSAQ-GFCCVEGCSA-N -1 3 313.386 2.809 20 0 DFADHM CCOc1cccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821431570 606495414 /nfs/dbraw/zinc/49/54/14/606495414.db2.gz WENIIZNSVOUIQQ-UHFFFAOYSA-N -1 3 315.358 2.579 20 0 DFADHM CCOc1cccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821431570 606495416 /nfs/dbraw/zinc/49/54/16/606495416.db2.gz WENIIZNSVOUIQQ-UHFFFAOYSA-N -1 3 315.358 2.579 20 0 DFADHM CC(C)(C)CC(C)(C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819908206 606499697 /nfs/dbraw/zinc/49/96/97/606499697.db2.gz XXFUJIBXSJNQAU-UHFFFAOYSA-N -1 3 315.421 2.740 20 0 DFADHM CC(C)(C)CC(C)(C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819908206 606499698 /nfs/dbraw/zinc/49/96/98/606499698.db2.gz XXFUJIBXSJNQAU-UHFFFAOYSA-N -1 3 315.421 2.740 20 0 DFADHM CC[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820913686 606503601 /nfs/dbraw/zinc/50/36/01/606503601.db2.gz JHFATNQMFDEKHG-INIZCTEOSA-N -1 3 321.384 2.677 20 0 DFADHM CC[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820913686 606503602 /nfs/dbraw/zinc/50/36/02/606503602.db2.gz JHFATNQMFDEKHG-INIZCTEOSA-N -1 3 321.384 2.677 20 0 DFADHM CCCCCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821056417 606506260 /nfs/dbraw/zinc/50/62/60/606506260.db2.gz QWRYJIFXTURMGS-UHFFFAOYSA-N -1 3 315.421 2.836 20 0 DFADHM CCCCCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821056417 606506262 /nfs/dbraw/zinc/50/62/62/606506262.db2.gz QWRYJIFXTURMGS-UHFFFAOYSA-N -1 3 315.421 2.836 20 0 DFADHM Cn1ccc2c1cccc2NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822690187 606506389 /nfs/dbraw/zinc/50/63/89/606506389.db2.gz VERVMIBSMYYUKV-UHFFFAOYSA-N -1 3 324.369 2.672 20 0 DFADHM Cn1ccc2c1cccc2NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822690187 606506391 /nfs/dbraw/zinc/50/63/91/606506391.db2.gz VERVMIBSMYYUKV-UHFFFAOYSA-N -1 3 324.369 2.672 20 0 DFADHM C[C@@H]1CCC[C@@H](CCNC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820697856 606512775 /nfs/dbraw/zinc/51/27/75/606512775.db2.gz NEAYZLLTBYPFFG-MNOVXSKESA-N -1 3 319.434 2.874 20 0 DFADHM C[C@@H]1CCC[C@@H](CCNC(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820697856 606512776 /nfs/dbraw/zinc/51/27/76/606512776.db2.gz NEAYZLLTBYPFFG-MNOVXSKESA-N -1 3 319.434 2.874 20 0 DFADHM CC(C)(NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccs1 ZINC000819987741 606513689 /nfs/dbraw/zinc/51/36/89/606513689.db2.gz JIHIUAGGWCKWFG-UHFFFAOYSA-N -1 3 319.415 2.655 20 0 DFADHM CC(C)(NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccs1 ZINC000819987741 606513691 /nfs/dbraw/zinc/51/36/91/606513691.db2.gz JIHIUAGGWCKWFG-UHFFFAOYSA-N -1 3 319.415 2.655 20 0 DFADHM CC1(C)CCC(NC(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820590518 606515812 /nfs/dbraw/zinc/51/58/12/606515812.db2.gz VPUBCRIEAHHMQF-UHFFFAOYSA-N -1 3 305.407 2.627 20 0 DFADHM CC1(C)CCC(NC(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820590518 606515813 /nfs/dbraw/zinc/51/58/13/606515813.db2.gz VPUBCRIEAHHMQF-UHFFFAOYSA-N -1 3 305.407 2.627 20 0 DFADHM Cc1ccc(N(C)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822241092 606517130 /nfs/dbraw/zinc/51/71/30/606517130.db2.gz KSZVXHVGKOYSNA-UHFFFAOYSA-N -1 3 321.384 2.689 20 0 DFADHM Cc1ccc(N(C)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822241092 606517131 /nfs/dbraw/zinc/51/71/31/606517131.db2.gz KSZVXHVGKOYSNA-UHFFFAOYSA-N -1 3 321.384 2.689 20 0 DFADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821035054 606518824 /nfs/dbraw/zinc/51/88/24/606518824.db2.gz ZUSGCZQZGJIGKJ-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821035054 606518825 /nfs/dbraw/zinc/51/88/25/606518825.db2.gz ZUSGCZQZGJIGKJ-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC2(C1)CCCCC2 ZINC000823472170 606520638 /nfs/dbraw/zinc/52/06/38/606520638.db2.gz CAAQONUDXAEEBB-UHFFFAOYSA-N -1 3 317.418 2.725 20 0 DFADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC2(C1)CCCCC2 ZINC000823472170 606520640 /nfs/dbraw/zinc/52/06/40/606520640.db2.gz CAAQONUDXAEEBB-UHFFFAOYSA-N -1 3 317.418 2.725 20 0 DFADHM Cc1c(F)cccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822034665 606524563 /nfs/dbraw/zinc/52/45/63/606524563.db2.gz IXFGJXCQCLMOBB-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1c(F)cccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822034665 606524564 /nfs/dbraw/zinc/52/45/64/606524564.db2.gz IXFGJXCQCLMOBB-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM CC(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820068573 606539052 /nfs/dbraw/zinc/53/90/52/606539052.db2.gz SJTOIFIXKDCURT-NSHDSACASA-N -1 3 305.407 2.579 20 0 DFADHM CC(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820068573 606539053 /nfs/dbraw/zinc/53/90/53/606539053.db2.gz SJTOIFIXKDCURT-NSHDSACASA-N -1 3 305.407 2.579 20 0 DFADHM O=C(OCc1cccc(F)c1F)c1cc(-c2nnn[n-]2)cs1 ZINC000823430236 606566446 /nfs/dbraw/zinc/56/64/46/606566446.db2.gz IPHUVWLZQXFUTF-UHFFFAOYSA-N -1 3 322.296 2.563 20 0 DFADHM O=C(OCc1cccc(F)c1F)c1cc(-c2nn[n-]n2)cs1 ZINC000823430236 606566449 /nfs/dbraw/zinc/56/64/49/606566449.db2.gz IPHUVWLZQXFUTF-UHFFFAOYSA-N -1 3 322.296 2.563 20 0 DFADHM Cc1ccccc1CCCOC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822356240 606615940 /nfs/dbraw/zinc/61/59/40/606615940.db2.gz OPGVIPOFYLKBBW-UHFFFAOYSA-N -1 3 322.368 2.965 20 0 DFADHM Cc1ccccc1CCCOC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822356240 606615942 /nfs/dbraw/zinc/61/59/42/606615942.db2.gz OPGVIPOFYLKBBW-UHFFFAOYSA-N -1 3 322.368 2.965 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C1CC(F)(F)C1 ZINC000823331594 606619905 /nfs/dbraw/zinc/61/99/05/606619905.db2.gz FQKHDKKAHGAGRN-UHFFFAOYSA-N -1 3 313.695 2.504 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C1CC(F)(F)C1 ZINC000823331594 606619907 /nfs/dbraw/zinc/61/99/07/606619907.db2.gz FQKHDKKAHGAGRN-UHFFFAOYSA-N -1 3 313.695 2.504 20 0 DFADHM c1cc(Cc2nc(C3CCCCC3)no2)cc(-c2nnn[n-]2)c1 ZINC000823751408 606620239 /nfs/dbraw/zinc/62/02/39/606620239.db2.gz JDWFZZVZGKSCOJ-UHFFFAOYSA-N -1 3 310.361 2.888 20 0 DFADHM c1cc(Cc2nc(C3CCCCC3)no2)cc(-c2nn[n-]n2)c1 ZINC000823751408 606620241 /nfs/dbraw/zinc/62/02/41/606620241.db2.gz JDWFZZVZGKSCOJ-UHFFFAOYSA-N -1 3 310.361 2.888 20 0 DFADHM c1ccc(-c2noc(Cc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000823771699 606620693 /nfs/dbraw/zinc/62/06/93/606620693.db2.gz CMUQCPDKJQQPQC-UHFFFAOYSA-N -1 3 304.313 2.508 20 0 DFADHM c1ccc(-c2noc(Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000823771699 606620696 /nfs/dbraw/zinc/62/06/96/606620696.db2.gz CMUQCPDKJQQPQC-UHFFFAOYSA-N -1 3 304.313 2.508 20 0 DFADHM CC1(C)CCC[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820590720 606626514 /nfs/dbraw/zinc/62/65/14/606626514.db2.gz ZBKYYOHTGNRRII-LBPRGKRZSA-N -1 3 316.434 2.732 20 0 DFADHM CC1(C)CCC[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820590720 606626516 /nfs/dbraw/zinc/62/65/16/606626516.db2.gz ZBKYYOHTGNRRII-LBPRGKRZSA-N -1 3 316.434 2.732 20 0 DFADHM CCN(C(=O)c1cc[nH]c1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160964 606627554 /nfs/dbraw/zinc/62/75/54/606627554.db2.gz SGUOOBHRHPKQNI-GFCCVEGCSA-N -1 3 324.388 2.727 20 0 DFADHM CCN(C(=O)c1cc[nH]c1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160964 606627556 /nfs/dbraw/zinc/62/75/56/606627556.db2.gz SGUOOBHRHPKQNI-GFCCVEGCSA-N -1 3 324.388 2.727 20 0 DFADHM CCOC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821343828 606637350 /nfs/dbraw/zinc/63/73/50/606637350.db2.gz VGUKLAINLOLFPH-UHFFFAOYSA-N -1 3 323.356 2.656 20 0 DFADHM CCOC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821343828 606637351 /nfs/dbraw/zinc/63/73/51/606637351.db2.gz VGUKLAINLOLFPH-UHFFFAOYSA-N -1 3 323.356 2.656 20 0 DFADHM C[C@@H](O)c1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820481025 606638447 /nfs/dbraw/zinc/63/84/47/606638447.db2.gz RRPIWXMQHOIFJB-SNVBAGLBSA-N -1 3 314.320 2.638 20 0 DFADHM C[C@@H](O)c1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000820481025 606638448 /nfs/dbraw/zinc/63/84/48/606638448.db2.gz RRPIWXMQHOIFJB-SNVBAGLBSA-N -1 3 314.320 2.638 20 0 DFADHM Fc1ccc(NCc2ccccc2-c2nnn[n-]2)c(F)c1F ZINC000822783176 606643267 /nfs/dbraw/zinc/64/32/67/606643267.db2.gz YJNDHUYUCWZJBX-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(NCc2ccccc2-c2nn[n-]n2)c(F)c1F ZINC000822783176 606643268 /nfs/dbraw/zinc/64/32/68/606643268.db2.gz YJNDHUYUCWZJBX-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CCc1nc(CNc2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000821509925 606656529 /nfs/dbraw/zinc/65/65/29/606656529.db2.gz PUBXBVPNOLMXIK-UHFFFAOYSA-N -1 3 304.354 2.637 20 0 DFADHM CCc1nc(CNc2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC000821509925 606656530 /nfs/dbraw/zinc/65/65/30/606656530.db2.gz PUBXBVPNOLMXIK-UHFFFAOYSA-N -1 3 304.354 2.637 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCCCOCC(F)(F)F ZINC000822220087 606656700 /nfs/dbraw/zinc/65/67/00/606656700.db2.gz CTXHSJHHEYUSBY-UHFFFAOYSA-N -1 3 315.299 2.556 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCCCOCC(F)(F)F ZINC000822220087 606656701 /nfs/dbraw/zinc/65/67/01/606656701.db2.gz CTXHSJHHEYUSBY-UHFFFAOYSA-N -1 3 315.299 2.556 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000823303571 606661011 /nfs/dbraw/zinc/66/10/11/606661011.db2.gz NCUVENRSKMNGFJ-UFBFGSQYSA-N -1 3 318.768 2.536 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000823303571 606661012 /nfs/dbraw/zinc/66/10/12/606661012.db2.gz NCUVENRSKMNGFJ-UFBFGSQYSA-N -1 3 318.768 2.536 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@H]2CCC[C@H]21 ZINC000823303569 606661034 /nfs/dbraw/zinc/66/10/34/606661034.db2.gz NCUVENRSKMNGFJ-PRHODGIISA-N -1 3 318.768 2.536 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@H]2CCC[C@H]21 ZINC000823303569 606661035 /nfs/dbraw/zinc/66/10/35/606661035.db2.gz NCUVENRSKMNGFJ-PRHODGIISA-N -1 3 318.768 2.536 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000755265531 606663588 /nfs/dbraw/zinc/66/35/88/606663588.db2.gz BPCXSYLCVVRTGZ-GOEBONIOSA-N -1 3 319.368 2.684 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000755265531 606663589 /nfs/dbraw/zinc/66/35/89/606663589.db2.gz BPCXSYLCVVRTGZ-GOEBONIOSA-N -1 3 319.368 2.684 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820697626 606668379 /nfs/dbraw/zinc/66/83/79/606668379.db2.gz JPSATGUHDNZWQY-RKDXNWHRSA-N -1 3 321.331 2.548 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820697626 606668380 /nfs/dbraw/zinc/66/83/80/606668380.db2.gz JPSATGUHDNZWQY-RKDXNWHRSA-N -1 3 321.331 2.548 20 0 DFADHM CC(C)N(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CCC1 ZINC000820111641 606681433 /nfs/dbraw/zinc/68/14/33/606681433.db2.gz DSARFNCOJAIJTN-UHFFFAOYSA-N -1 3 321.331 2.548 20 0 DFADHM CC(C)N(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCC1 ZINC000820111641 606681434 /nfs/dbraw/zinc/68/14/34/606681434.db2.gz DSARFNCOJAIJTN-UHFFFAOYSA-N -1 3 321.331 2.548 20 0 DFADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCC(C)(C)CC1 ZINC000821573657 606691491 /nfs/dbraw/zinc/69/14/91/606691491.db2.gz YZIWNODAKYYHNU-UHFFFAOYSA-N -1 3 313.405 2.908 20 0 DFADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCC(C)(C)CC1 ZINC000821573657 606691492 /nfs/dbraw/zinc/69/14/92/606691492.db2.gz YZIWNODAKYYHNU-UHFFFAOYSA-N -1 3 313.405 2.908 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](C(C)C)C1 ZINC000822218084 606696698 /nfs/dbraw/zinc/69/66/98/606696698.db2.gz WYXKKFYGSBXGDW-CYBMUJFWSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](C(C)C)C1 ZINC000822218084 606696699 /nfs/dbraw/zinc/69/66/99/606696699.db2.gz WYXKKFYGSBXGDW-CYBMUJFWSA-N -1 3 314.393 2.685 20 0 DFADHM CC(C)[C@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000820047504 606725980 /nfs/dbraw/zinc/72/59/80/606725980.db2.gz ZBFSOFNSEUTCLL-LBPRGKRZSA-N -1 3 308.389 2.897 20 0 DFADHM CC(C)[C@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000820047504 606725982 /nfs/dbraw/zinc/72/59/82/606725982.db2.gz ZBFSOFNSEUTCLL-LBPRGKRZSA-N -1 3 308.389 2.897 20 0 DFADHM CC(C)CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820069162 606753123 /nfs/dbraw/zinc/75/31/23/606753123.db2.gz WXXHUTZRVRFLNA-UHFFFAOYSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820069162 606753125 /nfs/dbraw/zinc/75/31/25/606753125.db2.gz WXXHUTZRVRFLNA-UHFFFAOYSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)CC1(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820063170 606780060 /nfs/dbraw/zinc/78/00/60/606780060.db2.gz SFUHKYWJDZIYOI-UHFFFAOYSA-N -1 3 313.405 2.699 20 0 DFADHM CC(C)CC1(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820063170 606780062 /nfs/dbraw/zinc/78/00/62/606780062.db2.gz SFUHKYWJDZIYOI-UHFFFAOYSA-N -1 3 313.405 2.699 20 0 DFADHM CCC1(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000820945867 606780633 /nfs/dbraw/zinc/78/06/33/606780633.db2.gz ZGIWDVUYECZVBA-UHFFFAOYSA-N -1 3 313.405 2.796 20 0 DFADHM CCC1(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000820945867 606780634 /nfs/dbraw/zinc/78/06/34/606780634.db2.gz ZGIWDVUYECZVBA-UHFFFAOYSA-N -1 3 313.405 2.796 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(Oc2ncc(Cl)cn2)c1 ZINC000822590737 606790119 /nfs/dbraw/zinc/79/01/19/606790119.db2.gz OGPDUDXKNARKJM-UHFFFAOYSA-N -1 3 309.116 2.756 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(Oc2ncc(Cl)cn2)c1 ZINC000822590737 606790121 /nfs/dbraw/zinc/79/01/21/606790121.db2.gz OGPDUDXKNARKJM-UHFFFAOYSA-N -1 3 309.116 2.756 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)C(F)=C1CCCC1 ZINC000823430818 606797235 /nfs/dbraw/zinc/79/72/35/606797235.db2.gz JTLWXKWWAUVARV-UHFFFAOYSA-N -1 3 302.309 2.708 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)C(F)=C1CCCC1 ZINC000823430818 606797237 /nfs/dbraw/zinc/79/72/37/606797237.db2.gz JTLWXKWWAUVARV-UHFFFAOYSA-N -1 3 302.309 2.708 20 0 DFADHM CC[C@H]1CCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820981050 606834516 /nfs/dbraw/zinc/83/45/16/606834516.db2.gz OSLBJFYTRDPBEE-WCQYABFASA-N -1 3 314.393 2.875 20 0 DFADHM CC[C@H]1CCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820981050 606834518 /nfs/dbraw/zinc/83/45/18/606834518.db2.gz OSLBJFYTRDPBEE-WCQYABFASA-N -1 3 314.393 2.875 20 0 DFADHM N#CN(CCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000822815332 606840126 /nfs/dbraw/zinc/84/01/26/606840126.db2.gz PDVMGOPIULGDLP-UHFFFAOYSA-N -1 3 320.356 2.623 20 0 DFADHM N#CN(CCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000822815332 606840127 /nfs/dbraw/zinc/84/01/27/606840127.db2.gz PDVMGOPIULGDLP-UHFFFAOYSA-N -1 3 320.356 2.623 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)=C(C)C ZINC000821388926 606843814 /nfs/dbraw/zinc/84/38/14/606843814.db2.gz AZWGGAGPKCOODU-UHFFFAOYSA-N -1 3 302.334 2.527 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)=C(C)C ZINC000821388926 606843816 /nfs/dbraw/zinc/84/38/16/606843816.db2.gz AZWGGAGPKCOODU-UHFFFAOYSA-N -1 3 302.334 2.527 20 0 DFADHM CCC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821041087 606875584 /nfs/dbraw/zinc/87/55/84/606875584.db2.gz YYJFZPKMBYBWCI-SNVBAGLBSA-N -1 3 306.801 2.932 20 0 DFADHM CCC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821041087 606875585 /nfs/dbraw/zinc/87/55/85/606875585.db2.gz YYJFZPKMBYBWCI-SNVBAGLBSA-N -1 3 306.801 2.932 20 0 DFADHM CCC[C@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000821040132 606875714 /nfs/dbraw/zinc/87/57/14/606875714.db2.gz IVEAIKKUFUYAKT-LBPRGKRZSA-N -1 3 312.421 2.767 20 0 DFADHM CCC[C@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000821040132 606875716 /nfs/dbraw/zinc/87/57/16/606875716.db2.gz IVEAIKKUFUYAKT-LBPRGKRZSA-N -1 3 312.421 2.767 20 0 DFADHM CC(C)C[C@@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820061883 606880664 /nfs/dbraw/zinc/88/06/64/606880664.db2.gz GWWJGBCJCXEAIZ-HNNXBMFYSA-N -1 3 313.405 2.908 20 0 DFADHM CC(C)C[C@H]1CCCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820062161 606880635 /nfs/dbraw/zinc/88/06/35/606880635.db2.gz IHNKDHBDLYRQGZ-LLVKDONJSA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)C[C@H]1CCCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820062161 606880636 /nfs/dbraw/zinc/88/06/36/606880636.db2.gz IHNKDHBDLYRQGZ-LLVKDONJSA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)C[C@@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820061883 606880665 /nfs/dbraw/zinc/88/06/65/606880665.db2.gz GWWJGBCJCXEAIZ-HNNXBMFYSA-N -1 3 313.405 2.908 20 0 DFADHM FC1(F)CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822736229 606881303 /nfs/dbraw/zinc/88/13/03/606881303.db2.gz AZEVXXYMNJEWNE-ZETCQYMHSA-N -1 3 300.700 2.515 20 0 DFADHM FC1(F)CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000822736229 606881304 /nfs/dbraw/zinc/88/13/04/606881304.db2.gz AZEVXXYMNJEWNE-ZETCQYMHSA-N -1 3 300.700 2.515 20 0 DFADHM Cc1ccc(N(C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822241064 606888037 /nfs/dbraw/zinc/88/80/37/606888037.db2.gz KBIZHOBNUSUYEI-QGZVFWFLSA-N -1 3 323.400 2.653 20 0 DFADHM Cc1ccc(N(C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822241064 606888038 /nfs/dbraw/zinc/88/80/38/606888038.db2.gz KBIZHOBNUSUYEI-QGZVFWFLSA-N -1 3 323.400 2.653 20 0 DFADHM C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820683508 606905336 /nfs/dbraw/zinc/90/53/36/606905336.db2.gz CDLZQZCQEMSSDN-IUCAKERBSA-N -1 3 320.784 2.925 20 0 DFADHM C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820683508 606905338 /nfs/dbraw/zinc/90/53/38/606905338.db2.gz CDLZQZCQEMSSDN-IUCAKERBSA-N -1 3 320.784 2.925 20 0 DFADHM c1ccc2nc(Sc3cccc(-c4nnn[n-]4)c3)cnc2c1 ZINC000823763041 606945797 /nfs/dbraw/zinc/94/57/97/606945797.db2.gz XXAXNDYJPQVKMW-UHFFFAOYSA-N -1 3 306.354 2.961 20 0 DFADHM c1ccc2nc(Sc3cccc(-c4nn[n-]n4)c3)cnc2c1 ZINC000823763041 606945799 /nfs/dbraw/zinc/94/57/99/606945799.db2.gz XXAXNDYJPQVKMW-UHFFFAOYSA-N -1 3 306.354 2.961 20 0 DFADHM C[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)C1CC1 ZINC000819856952 606962294 /nfs/dbraw/zinc/96/22/94/606962294.db2.gz NIEWPIHFKQNQMS-QMMMGPOBSA-N -1 3 305.769 2.529 20 0 DFADHM C[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)C1CC1 ZINC000819856952 606962295 /nfs/dbraw/zinc/96/22/95/606962295.db2.gz NIEWPIHFKQNQMS-QMMMGPOBSA-N -1 3 305.769 2.529 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822930400 606990866 /nfs/dbraw/zinc/99/08/66/606990866.db2.gz ZQHROXPKXIGHBY-CLFYSBASSA-N -1 3 324.315 2.762 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822930400 606990867 /nfs/dbraw/zinc/99/08/67/606990867.db2.gz ZQHROXPKXIGHBY-CLFYSBASSA-N -1 3 324.315 2.762 20 0 DFADHM CC(C)CCn1ccc(NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820081849 607007140 /nfs/dbraw/zinc/00/71/40/607007140.db2.gz YIOPTJUGQWHJSB-UHFFFAOYSA-N -1 3 311.393 2.721 20 0 DFADHM CC(C)CCn1ccc(NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820081849 607007141 /nfs/dbraw/zinc/00/71/41/607007141.db2.gz YIOPTJUGQWHJSB-UHFFFAOYSA-N -1 3 311.393 2.721 20 0 DFADHM CCCCCCNC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821056686 607010006 /nfs/dbraw/zinc/01/00/06/607010006.db2.gz VZJTWVLFGHZIAA-UHFFFAOYSA-N -1 3 319.434 2.655 20 0 DFADHM CCCCCCNC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821056686 607010007 /nfs/dbraw/zinc/01/00/07/607010007.db2.gz VZJTWVLFGHZIAA-UHFFFAOYSA-N -1 3 319.434 2.655 20 0 DFADHM CCOC(=O)C[C@H](C)SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821325103 607010315 /nfs/dbraw/zinc/01/03/15/607010315.db2.gz BRVFAFNFEVPRBT-VIFPVBQESA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)C[C@H](C)SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821325103 607010317 /nfs/dbraw/zinc/01/03/17/607010317.db2.gz BRVFAFNFEVPRBT-VIFPVBQESA-N -1 3 324.381 2.581 20 0 DFADHM Cc1nc(COc2cc(-c3nnn[n-]3)ccc2C)sc1C ZINC000822221195 607029593 /nfs/dbraw/zinc/02/95/93/607029593.db2.gz DXIAHWTXKHKGST-UHFFFAOYSA-N -1 3 301.375 2.827 20 0 DFADHM Cc1nc(COc2cc(-c3nn[n-]n3)ccc2C)sc1C ZINC000822221195 607029595 /nfs/dbraw/zinc/02/95/95/607029595.db2.gz DXIAHWTXKHKGST-UHFFFAOYSA-N -1 3 301.375 2.827 20 0 DFADHM CC(C)CO[C@H]1CCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000820096349 607043711 /nfs/dbraw/zinc/04/37/11/607043711.db2.gz AQZVYVUKEBJPJO-NSHDSACASA-N -1 3 321.812 2.771 20 0 DFADHM CC(C)CO[C@H]1CCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000820096349 607043713 /nfs/dbraw/zinc/04/37/13/607043713.db2.gz AQZVYVUKEBJPJO-NSHDSACASA-N -1 3 321.812 2.771 20 0 DFADHM CCC/C(C)=C\C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821009012 607080206 /nfs/dbraw/zinc/08/02/06/607080206.db2.gz MUUUURHMUBXUMN-YFHOEESVSA-N -1 3 304.325 2.795 20 0 DFADHM CCC/C(C)=C\C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821009012 607080207 /nfs/dbraw/zinc/08/02/07/607080207.db2.gz MUUUURHMUBXUMN-YFHOEESVSA-N -1 3 304.325 2.795 20 0 DFADHM CC/C=C/COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821002686 607081048 /nfs/dbraw/zinc/08/10/48/607081048.db2.gz YRJFRSCXHHEFRF-AATRIKPKSA-N -1 3 316.361 2.534 20 0 DFADHM CC/C=C/COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821002686 607081049 /nfs/dbraw/zinc/08/10/49/607081049.db2.gz YRJFRSCXHHEFRF-AATRIKPKSA-N -1 3 316.361 2.534 20 0 DFADHM CC(C)(C)COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819914585 607082223 /nfs/dbraw/zinc/08/22/23/607082223.db2.gz YIDVFINBZOFNDZ-UHFFFAOYSA-N -1 3 318.377 2.613 20 0 DFADHM CC(C)(C)COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819914585 607082225 /nfs/dbraw/zinc/08/22/25/607082225.db2.gz YIDVFINBZOFNDZ-UHFFFAOYSA-N -1 3 318.377 2.613 20 0 DFADHM CSCCCCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821962977 607084685 /nfs/dbraw/zinc/08/46/85/607084685.db2.gz ZSPMHXVRZNFRSY-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM CSCCCCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821962977 607084686 /nfs/dbraw/zinc/08/46/86/607084686.db2.gz ZSPMHXVRZNFRSY-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820684574 607090302 /nfs/dbraw/zinc/09/03/02/607090302.db2.gz RIRSYSHWNRVANO-NWDGAFQWSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820684574 607090304 /nfs/dbraw/zinc/09/03/04/607090304.db2.gz RIRSYSHWNRVANO-NWDGAFQWSA-N -1 3 300.362 2.736 20 0 DFADHM CCC(CC)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820893579 607091039 /nfs/dbraw/zinc/09/10/39/607091039.db2.gz RRQLGUUWNUDVRS-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CCC(CC)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820893579 607091041 /nfs/dbraw/zinc/09/10/41/607091041.db2.gz RRQLGUUWNUDVRS-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC1CCC(C)(C)CC1 ZINC000822660452 607094065 /nfs/dbraw/zinc/09/40/65/607094065.db2.gz YUGNSCYHKJDEQT-UHFFFAOYSA-N -1 3 317.393 2.578 20 0 DFADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC1CCC(C)(C)CC1 ZINC000822660452 607094066 /nfs/dbraw/zinc/09/40/66/607094066.db2.gz YUGNSCYHKJDEQT-UHFFFAOYSA-N -1 3 317.393 2.578 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1 ZINC000821308497 607099715 /nfs/dbraw/zinc/09/97/15/607099715.db2.gz BUNITYLWJLBMOF-UHFFFAOYSA-N -1 3 308.345 2.551 20 0 DFADHM CCC[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NCC ZINC000821015930 607100342 /nfs/dbraw/zinc/10/03/42/607100342.db2.gz TVJAPPNHBHFFGE-JTQLQIEISA-N -1 3 302.382 2.673 20 0 DFADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NC3CC=CC3)c2c1 ZINC000822581765 607119617 /nfs/dbraw/zinc/11/96/17/607119617.db2.gz NNQOMHUEUKZZBE-UHFFFAOYSA-N -1 3 312.764 2.621 20 0 DFADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NC3CC=CC3)c2c1 ZINC000822581765 607119618 /nfs/dbraw/zinc/11/96/18/607119618.db2.gz NNQOMHUEUKZZBE-UHFFFAOYSA-N -1 3 312.764 2.621 20 0 DFADHM c1ccc2c(c1)C[C@@H]1[C@@H](CNc3ccc(-c4nn[n-]n4)cc3)[C@H]21 ZINC000823797136 607127295 /nfs/dbraw/zinc/12/72/95/607127295.db2.gz LMOYEUSDZOXKPL-BRWVUGGUSA-N -1 3 303.369 2.865 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1Oc1cnc2ccccc2n1 ZINC000822748274 607128908 /nfs/dbraw/zinc/12/89/08/607128908.db2.gz QRFZFQRFYXMSNF-UHFFFAOYSA-N -1 3 308.276 2.741 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1Oc1cnc2ccccc2n1 ZINC000822748274 607128910 /nfs/dbraw/zinc/12/89/10/607128910.db2.gz QRFZFQRFYXMSNF-UHFFFAOYSA-N -1 3 308.276 2.741 20 0 DFADHM c1cc(-c2nnn[n-]2)ncc1N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823747834 607131660 /nfs/dbraw/zinc/13/16/60/607131660.db2.gz KVFXJRZAFUPXDW-GFCCVEGCSA-N -1 3 314.393 2.556 20 0 DFADHM c1cc(-c2nn[n-]n2)ncc1N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823747834 607131662 /nfs/dbraw/zinc/13/16/62/607131662.db2.gz KVFXJRZAFUPXDW-GFCCVEGCSA-N -1 3 314.393 2.556 20 0 DFADHM Cc1nc(C)c(COc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822431656 607136398 /nfs/dbraw/zinc/13/63/98/607136398.db2.gz DRORKNRTKWDIOO-UHFFFAOYSA-N -1 3 305.338 2.658 20 0 DFADHM Cc1nc(C)c(COc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822431656 607136400 /nfs/dbraw/zinc/13/64/00/607136400.db2.gz DRORKNRTKWDIOO-UHFFFAOYSA-N -1 3 305.338 2.658 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CC12CCC2 ZINC000823303773 607142742 /nfs/dbraw/zinc/14/27/42/607142742.db2.gz UTSWJFFJJGPYQM-JTQLQIEISA-N -1 3 303.753 2.649 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CC12CCC2 ZINC000823303773 607142743 /nfs/dbraw/zinc/14/27/43/607142743.db2.gz UTSWJFFJJGPYQM-JTQLQIEISA-N -1 3 303.753 2.649 20 0 DFADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@H]1CC12CCC2 ZINC000823383320 607142798 /nfs/dbraw/zinc/14/27/98/607142798.db2.gz PNBLKLWLQDXTGY-SECBINFHSA-N -1 3 315.402 2.546 20 0 DFADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@H]1CC12CCC2 ZINC000823383320 607142800 /nfs/dbraw/zinc/14/28/00/607142800.db2.gz PNBLKLWLQDXTGY-SECBINFHSA-N -1 3 315.402 2.546 20 0 DFADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CC12CCC2 ZINC000819971658 607143322 /nfs/dbraw/zinc/14/33/22/607143322.db2.gz QIVYPYSVQQLYHZ-NSHDSACASA-N -1 3 314.393 2.552 20 0 DFADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC12CCC2 ZINC000819971658 607143323 /nfs/dbraw/zinc/14/33/23/607143323.db2.gz QIVYPYSVQQLYHZ-NSHDSACASA-N -1 3 314.393 2.552 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822210458 607162286 /nfs/dbraw/zinc/16/22/86/607162286.db2.gz CHDQFHMYZXHXNR-VIFPVBQESA-N -1 3 314.374 2.524 20 0 DFADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821016010 607164344 /nfs/dbraw/zinc/16/43/44/607164344.db2.gz UVPNVNAJWMKUKL-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821016010 607164345 /nfs/dbraw/zinc/16/43/45/607164345.db2.gz UVPNVNAJWMKUKL-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM CCOC(=O)CCCCCOc1ccc(-c2nnn[n-]2)cc1F ZINC000821326261 607171209 /nfs/dbraw/zinc/17/12/09/607171209.db2.gz WFZKXIWTLDWVHM-UHFFFAOYSA-N -1 3 322.340 2.508 20 0 DFADHM CCOC(=O)CCCCCOc1ccc(-c2nn[n-]n2)cc1F ZINC000821326261 607171210 /nfs/dbraw/zinc/17/12/10/607171210.db2.gz WFZKXIWTLDWVHM-UHFFFAOYSA-N -1 3 322.340 2.508 20 0 DFADHM Fc1cccc2c1N(Cc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000822740017 607177655 /nfs/dbraw/zinc/17/76/55/607177655.db2.gz GGXAWISCKQJBTK-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1cccc2c1N(Cc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000822740017 607177656 /nfs/dbraw/zinc/17/76/56/607177656.db2.gz GGXAWISCKQJBTK-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820648626 607196533 /nfs/dbraw/zinc/19/65/33/607196533.db2.gz DLDJKINZHSSFRB-DTWKUNHWSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820648626 607196534 /nfs/dbraw/zinc/19/65/34/607196534.db2.gz DLDJKINZHSSFRB-DTWKUNHWSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820697545 607199111 /nfs/dbraw/zinc/19/91/11/607199111.db2.gz ITDCRRJRVCAEKS-KCJUWKMLSA-N -1 3 320.784 2.830 20 0 DFADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820697545 607199112 /nfs/dbraw/zinc/19/91/12/607199112.db2.gz ITDCRRJRVCAEKS-KCJUWKMLSA-N -1 3 320.784 2.830 20 0 DFADHM CC(=O)[C@H](C)CCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000819783408 607231913 /nfs/dbraw/zinc/23/19/13/607231913.db2.gz WXYDJGISWNCWPE-LLVKDONJSA-N -1 3 315.377 2.591 20 0 DFADHM CC(=O)[C@H](C)CCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000819783408 607231914 /nfs/dbraw/zinc/23/19/14/607231914.db2.gz WXYDJGISWNCWPE-LLVKDONJSA-N -1 3 315.377 2.591 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)c(C)o2)s1 ZINC000821466623 607237413 /nfs/dbraw/zinc/23/74/13/607237413.db2.gz YQXIKBCHBWUCHQ-UHFFFAOYSA-N -1 3 317.374 2.953 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)c(C)o2)s1 ZINC000821466623 607237414 /nfs/dbraw/zinc/23/74/14/607237414.db2.gz YQXIKBCHBWUCHQ-UHFFFAOYSA-N -1 3 317.374 2.953 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CC(F)(F)C1 ZINC000823313434 607244074 /nfs/dbraw/zinc/24/40/74/607244074.db2.gz APXIEDCRUMESEG-UHFFFAOYSA-N -1 3 313.695 2.504 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC(F)(F)C1 ZINC000823313434 607244075 /nfs/dbraw/zinc/24/40/75/607244075.db2.gz APXIEDCRUMESEG-UHFFFAOYSA-N -1 3 313.695 2.504 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820685143 607244991 /nfs/dbraw/zinc/24/49/91/607244991.db2.gz SVUBYYRNVBLGJV-UWVGGRQHSA-N -1 3 304.325 2.738 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820685143 607244992 /nfs/dbraw/zinc/24/49/92/607244992.db2.gz SVUBYYRNVBLGJV-UWVGGRQHSA-N -1 3 304.325 2.738 20 0 DFADHM CCCCCCOCC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821055548 607248673 /nfs/dbraw/zinc/24/86/73/607248673.db2.gz CCYLNTASNRUKBB-UHFFFAOYSA-N -1 3 322.340 2.508 20 0 DFADHM CCCCCCOCC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821055548 607248674 /nfs/dbraw/zinc/24/86/74/607248674.db2.gz CCYLNTASNRUKBB-UHFFFAOYSA-N -1 3 322.340 2.508 20 0 DFADHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000822184468 607248917 /nfs/dbraw/zinc/24/89/17/607248917.db2.gz VINZQSJLMGGRDK-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000822184468 607248918 /nfs/dbraw/zinc/24/89/18/607248918.db2.gz VINZQSJLMGGRDK-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1cccc(C)c1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822294158 607249379 /nfs/dbraw/zinc/24/93/79/607249379.db2.gz STFGSDXUEDPSJV-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Cc1cccc(C)c1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822294158 607249380 /nfs/dbraw/zinc/24/93/80/607249380.db2.gz STFGSDXUEDPSJV-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(F)c1 ZINC000823451752 607250094 /nfs/dbraw/zinc/25/00/94/607250094.db2.gz ZKZXZCYPZGGRMM-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(F)c1 ZINC000823451752 607250095 /nfs/dbraw/zinc/25/00/95/607250095.db2.gz ZKZXZCYPZGGRMM-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM CN(C(=O)c1coc2ccccc12)c1ccccc1-c1nnn[n-]1 ZINC000825834251 607787498 /nfs/dbraw/zinc/78/74/98/607787498.db2.gz UFZXLQYCGRNPLU-UHFFFAOYSA-N -1 3 319.324 2.890 20 0 DFADHM CN(C(=O)c1coc2ccccc12)c1ccccc1-c1nn[n-]n1 ZINC000825834251 607787499 /nfs/dbraw/zinc/78/74/99/607787499.db2.gz UFZXLQYCGRNPLU-UHFFFAOYSA-N -1 3 319.324 2.890 20 0 DFADHM Cc1cccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1C ZINC000826296296 607787823 /nfs/dbraw/zinc/78/78/23/607787823.db2.gz QNIGBVHASLXPJB-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM Cc1cccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1C ZINC000826296296 607787824 /nfs/dbraw/zinc/78/78/24/607787824.db2.gz QNIGBVHASLXPJB-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM C[C@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000824040439 607790216 /nfs/dbraw/zinc/79/02/16/607790216.db2.gz PTGHCNUYIJTIMF-JTQLQIEISA-N -1 3 313.386 2.695 20 0 DFADHM C[C@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000824040439 607790217 /nfs/dbraw/zinc/79/02/17/607790217.db2.gz PTGHCNUYIJTIMF-JTQLQIEISA-N -1 3 313.386 2.695 20 0 DFADHM CC(C)(C)SCCCC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824124557 607826921 /nfs/dbraw/zinc/82/69/21/607826921.db2.gz VNCXABQPYFGSIB-UHFFFAOYSA-N -1 3 320.422 2.512 20 0 DFADHM CC(C)(C)SCCCC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824124557 607826920 /nfs/dbraw/zinc/82/69/20/607826920.db2.gz VNCXABQPYFGSIB-UHFFFAOYSA-N -1 3 320.422 2.512 20 0 DFADHM CCCCNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825291867 607832213 /nfs/dbraw/zinc/83/22/13/607832213.db2.gz YQXBUMQEBCNBCC-UHFFFAOYSA-N -1 3 314.176 2.703 20 0 DFADHM CCCCNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825291867 607832214 /nfs/dbraw/zinc/83/22/14/607832214.db2.gz YQXBUMQEBCNBCC-UHFFFAOYSA-N -1 3 314.176 2.703 20 0 DFADHM C[C@@H]1OCC[C@H]1SCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000825019546 607845914 /nfs/dbraw/zinc/84/59/14/607845914.db2.gz DUCCESSNWUWMNR-GXFFZTMASA-N -1 3 315.402 2.530 20 0 DFADHM C[C@@H]1OCC[C@H]1SCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000825019546 607845915 /nfs/dbraw/zinc/84/59/15/607845915.db2.gz DUCCESSNWUWMNR-GXFFZTMASA-N -1 3 315.402 2.530 20 0 DFADHM Cc1cc(F)ccc1OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826268729 607861491 /nfs/dbraw/zinc/86/14/91/607861491.db2.gz KXGYXBXSNYOMOA-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Clc1ccc2cccnc2c1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826353008 607892454 /nfs/dbraw/zinc/89/24/54/607892454.db2.gz XOPMZLZWORJAMV-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM Clc1ccc2cccnc2c1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826353008 607892455 /nfs/dbraw/zinc/89/24/55/607892455.db2.gz XOPMZLZWORJAMV-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM Clc1nc2ccccc2cc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826353842 607892645 /nfs/dbraw/zinc/89/26/45/607892645.db2.gz GFHYYWYPBJTGTJ-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM Clc1nc2ccccc2cc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826353842 607892646 /nfs/dbraw/zinc/89/26/46/607892646.db2.gz GFHYYWYPBJTGTJ-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM Cc1ccnc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826308526 607893436 /nfs/dbraw/zinc/89/34/36/607893436.db2.gz DCTQTWSKFIFMFL-UHFFFAOYSA-N -1 3 318.793 2.911 20 0 DFADHM Cc1ccnc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826308526 607893437 /nfs/dbraw/zinc/89/34/37/607893437.db2.gz DCTQTWSKFIFMFL-UHFFFAOYSA-N -1 3 318.793 2.911 20 0 DFADHM c1cc(Nc2ccc(N3CCCCC3)cc2)nc(-c2nnn[n-]2)c1 ZINC000826516919 607895106 /nfs/dbraw/zinc/89/51/06/607895106.db2.gz IDIRXZJYHGAMPJ-UHFFFAOYSA-N -1 3 321.388 2.996 20 0 DFADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCC1 ZINC000824507360 607916779 /nfs/dbraw/zinc/91/67/79/607916779.db2.gz WYOCPNZJYHOUMH-QMMMGPOBSA-N -1 3 320.784 2.830 20 0 DFADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCC1 ZINC000824507360 607916780 /nfs/dbraw/zinc/91/67/80/607916780.db2.gz WYOCPNZJYHOUMH-QMMMGPOBSA-N -1 3 320.784 2.830 20 0 DFADHM COc1ccc(C[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826191982 607968433 /nfs/dbraw/zinc/96/84/33/607968433.db2.gz WHCZFDBNUIPMAH-LBPRGKRZSA-N -1 3 324.388 2.561 20 0 DFADHM COc1ccc(C[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826191982 607968434 /nfs/dbraw/zinc/96/84/34/607968434.db2.gz WHCZFDBNUIPMAH-LBPRGKRZSA-N -1 3 324.388 2.561 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000826371716 607974394 /nfs/dbraw/zinc/97/43/94/607974394.db2.gz RAFMQLQOWJARPE-UHFFFAOYSA-N -1 3 315.699 2.598 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000826371716 607974395 /nfs/dbraw/zinc/97/43/95/607974395.db2.gz RAFMQLQOWJARPE-UHFFFAOYSA-N -1 3 315.699 2.598 20 0 DFADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1c(C)noc1C ZINC000825352325 607974872 /nfs/dbraw/zinc/97/48/72/607974872.db2.gz LUOFFMKDCJGWJR-UHFFFAOYSA-N -1 3 323.360 2.898 20 0 DFADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1c(C)noc1C ZINC000825352325 607974873 /nfs/dbraw/zinc/97/48/73/607974873.db2.gz LUOFFMKDCJGWJR-UHFFFAOYSA-N -1 3 323.360 2.898 20 0 DFADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(C)cn1 ZINC000825353474 607975078 /nfs/dbraw/zinc/97/50/78/607975078.db2.gz XRMOMCJHFWJBAD-UHFFFAOYSA-N -1 3 319.372 2.997 20 0 DFADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(C)cn1 ZINC000825353474 607975079 /nfs/dbraw/zinc/97/50/79/607975079.db2.gz XRMOMCJHFWJBAD-UHFFFAOYSA-N -1 3 319.372 2.997 20 0 DFADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(O)c1 ZINC000825782582 607975178 /nfs/dbraw/zinc/97/51/78/607975178.db2.gz HOTQMSIHYZEIPW-UHFFFAOYSA-N -1 3 306.329 2.609 20 0 DFADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(O)c1 ZINC000825782582 607975177 /nfs/dbraw/zinc/97/51/77/607975177.db2.gz HOTQMSIHYZEIPW-UHFFFAOYSA-N -1 3 306.329 2.609 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)C1CCC(F)(F)CC1 ZINC000826466053 607976993 /nfs/dbraw/zinc/97/69/93/607976993.db2.gz NPSVFSNAIUGUTP-UHFFFAOYSA-N -1 3 322.315 2.735 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)C1CCC(F)(F)CC1 ZINC000826466053 607976994 /nfs/dbraw/zinc/97/69/94/607976994.db2.gz NPSVFSNAIUGUTP-UHFFFAOYSA-N -1 3 322.315 2.735 20 0 DFADHM Fc1cccc(N2CCc3ccsc3C2)c1-c1nnn[n-]1 ZINC000826377282 608019003 /nfs/dbraw/zinc/01/90/03/608019003.db2.gz LLYIUGYFDUBRJZ-UHFFFAOYSA-N -1 3 301.350 2.630 20 0 DFADHM Fc1cccc(N2CCc3ccsc3C2)c1-c1nn[n-]n1 ZINC000826377282 608019004 /nfs/dbraw/zinc/01/90/04/608019004.db2.gz LLYIUGYFDUBRJZ-UHFFFAOYSA-N -1 3 301.350 2.630 20 0 DFADHM CCN(Cc1ncc(C)cn1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825444110 608032064 /nfs/dbraw/zinc/03/20/64/608032064.db2.gz JEDSQVXQEYKNIL-CYBMUJFWSA-N -1 3 323.404 2.548 20 0 DFADHM CCN(Cc1ncc(C)cn1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444110 608032065 /nfs/dbraw/zinc/03/20/65/608032065.db2.gz JEDSQVXQEYKNIL-CYBMUJFWSA-N -1 3 323.404 2.548 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCc1cccc(F)c1F ZINC000826176131 608033094 /nfs/dbraw/zinc/03/30/94/608033094.db2.gz CESUZWJUHMGNDW-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCc1cccc(F)c1F ZINC000826176131 608033095 /nfs/dbraw/zinc/03/30/95/608033095.db2.gz CESUZWJUHMGNDW-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM CCC(CC)[C@H](C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825095434 608053110 /nfs/dbraw/zinc/05/31/10/608053110.db2.gz GJOKOUXBWFKLQU-NSHDSACASA-N -1 3 301.394 2.555 20 0 DFADHM CCC(CC)[C@H](C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825095434 608053111 /nfs/dbraw/zinc/05/31/11/608053111.db2.gz GJOKOUXBWFKLQU-NSHDSACASA-N -1 3 301.394 2.555 20 0 DFADHM CCC(CC)[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000825097814 608059688 /nfs/dbraw/zinc/05/96/88/608059688.db2.gz ZMCMFQRKGKSVRX-NSHDSACASA-N -1 3 302.378 2.982 20 0 DFADHM CCC(CC)[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000825097814 608059689 /nfs/dbraw/zinc/05/96/89/608059689.db2.gz ZMCMFQRKGKSVRX-NSHDSACASA-N -1 3 302.378 2.982 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825095874 608066400 /nfs/dbraw/zinc/06/64/00/608066400.db2.gz JSKRRXQNDLAJPE-LLVKDONJSA-N -1 3 301.394 2.902 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825095874 608066401 /nfs/dbraw/zinc/06/64/01/608066401.db2.gz JSKRRXQNDLAJPE-LLVKDONJSA-N -1 3 301.394 2.902 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000826244334 608131418 /nfs/dbraw/zinc/13/14/18/608131418.db2.gz OPAGQXRMMMDYSA-CYBMUJFWSA-N -1 3 313.405 2.683 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000826244334 608131419 /nfs/dbraw/zinc/13/14/19/608131419.db2.gz OPAGQXRMMMDYSA-CYBMUJFWSA-N -1 3 313.405 2.683 20 0 DFADHM CC(C)OCCCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824309899 608141631 /nfs/dbraw/zinc/14/16/31/608141631.db2.gz ZMFYYNYXXKRWJM-GFCCVEGCSA-N -1 3 318.377 2.676 20 0 DFADHM CC(C)OCCCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824309899 608141632 /nfs/dbraw/zinc/14/16/32/608141632.db2.gz ZMFYYNYXXKRWJM-GFCCVEGCSA-N -1 3 318.377 2.676 20 0 DFADHM c1ccc2nc(N3CC[C@@H](C4CC4)C3)c(-c3nnn[n-]3)cc2c1 ZINC000826524074 608152098 /nfs/dbraw/zinc/15/20/98/608152098.db2.gz IMQWVQGWOXCHFJ-CYBMUJFWSA-N -1 3 306.373 2.651 20 0 DFADHM c1ccc2nc(N3CC[C@@H](C4CC4)C3)c(-c3nn[n-]n3)cc2c1 ZINC000826524074 608152099 /nfs/dbraw/zinc/15/20/99/608152099.db2.gz IMQWVQGWOXCHFJ-CYBMUJFWSA-N -1 3 306.373 2.651 20 0 DFADHM O=C(CCCC(F)(F)F)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826405650 608158649 /nfs/dbraw/zinc/15/86/49/608158649.db2.gz NVFJZUGPXFDMEA-UHFFFAOYSA-N -1 3 317.246 2.677 20 0 DFADHM O=C(CCCC(F)(F)F)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826405650 608158647 /nfs/dbraw/zinc/15/86/47/608158647.db2.gz NVFJZUGPXFDMEA-UHFFFAOYSA-N -1 3 317.246 2.677 20 0 DFADHM CN(C(=O)CCCC(F)(F)F)c1ccccc1-c1nnn[n-]1 ZINC000825818180 608161592 /nfs/dbraw/zinc/16/15/92/608161592.db2.gz WJCMZYJZCXBWIC-UHFFFAOYSA-N -1 3 313.283 2.562 20 0 DFADHM CN(C(=O)CCCC(F)(F)F)c1ccccc1-c1nn[n-]n1 ZINC000825818180 608161593 /nfs/dbraw/zinc/16/15/93/608161593.db2.gz WJCMZYJZCXBWIC-UHFFFAOYSA-N -1 3 313.283 2.562 20 0 DFADHM O=C(CCCC(F)(F)F)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826406241 608180267 /nfs/dbraw/zinc/18/02/67/608180267.db2.gz NVKZZCVJRVIRGP-UHFFFAOYSA-N -1 3 314.267 2.643 20 0 DFADHM O=C(CCCC(F)(F)F)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826406241 608180269 /nfs/dbraw/zinc/18/02/69/608180269.db2.gz NVKZZCVJRVIRGP-UHFFFAOYSA-N -1 3 314.267 2.643 20 0 DFADHM C[C@@H](OC(=O)C(C1CC1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824706905 608183209 /nfs/dbraw/zinc/18/32/09/608183209.db2.gz LNUYQRRFZXHXIO-SNVBAGLBSA-N -1 3 312.373 2.907 20 0 DFADHM C[C@@H](OC(=O)C(C1CC1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824706905 608183210 /nfs/dbraw/zinc/18/32/10/608183210.db2.gz LNUYQRRFZXHXIO-SNVBAGLBSA-N -1 3 312.373 2.907 20 0 DFADHM Cc1cccc(C2=CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826297268 608194203 /nfs/dbraw/zinc/19/42/03/608194203.db2.gz ABYNNJSNLJNNHS-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM Cc1cccc(C2=CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826297268 608194204 /nfs/dbraw/zinc/19/42/04/608194204.db2.gz ABYNNJSNLJNNHS-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM C[C@H]1C[C@H](CNc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824882573 608194895 /nfs/dbraw/zinc/19/48/95/608194895.db2.gz BWJBTFOCIBWPIQ-NWDGAFQWSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H]1C[C@H](CNc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824882573 608194896 /nfs/dbraw/zinc/19/48/96/608194896.db2.gz BWJBTFOCIBWPIQ-NWDGAFQWSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC12CCC2 ZINC000824961777 608195785 /nfs/dbraw/zinc/19/57/85/608195785.db2.gz IIYXSUCAWHDHOQ-JTQLQIEISA-N -1 3 318.812 2.932 20 0 DFADHM C[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC12CCC2 ZINC000824961777 608195787 /nfs/dbraw/zinc/19/57/87/608195787.db2.gz IIYXSUCAWHDHOQ-JTQLQIEISA-N -1 3 318.812 2.932 20 0 DFADHM C[C@@H]1C[C@@H](CNc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824886366 608195911 /nfs/dbraw/zinc/19/59/11/608195911.db2.gz XSKVBEFGMUXIIC-ZJUUUORDSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H]1C[C@@H](CNc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824886366 608195912 /nfs/dbraw/zinc/19/59/12/608195912.db2.gz XSKVBEFGMUXIIC-ZJUUUORDSA-N -1 3 307.785 2.747 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@@H](C)C3(CCC3)C2)n1 ZINC000826262750 608196466 /nfs/dbraw/zinc/19/64/66/608196466.db2.gz XDCGXCFVEZUTOM-GFCCVEGCSA-N -1 3 312.421 2.895 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@@H](C)C3(CCC3)C2)n1 ZINC000826262750 608196468 /nfs/dbraw/zinc/19/64/68/608196468.db2.gz XDCGXCFVEZUTOM-GFCCVEGCSA-N -1 3 312.421 2.895 20 0 DFADHM O[C@@H](COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826510845 608220492 /nfs/dbraw/zinc/22/04/92/608220492.db2.gz NMSQAQLZYMHREU-ZDUSSCGKSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@@H](COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826510845 608220494 /nfs/dbraw/zinc/22/04/94/608220494.db2.gz NMSQAQLZYMHREU-ZDUSSCGKSA-N -1 3 316.748 2.633 20 0 DFADHM CN(Cc1cscn1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825991474 608225604 /nfs/dbraw/zinc/22/56/04/608225604.db2.gz BIIORMBRPKFVGN-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CN(Cc1cscn1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825991474 608225605 /nfs/dbraw/zinc/22/56/05/608225605.db2.gz BIIORMBRPKFVGN-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM Cc1cnc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)s1 ZINC000826318432 608225684 /nfs/dbraw/zinc/22/56/84/608225684.db2.gz JNBYWPGTAGKDAJ-UHFFFAOYSA-N -1 3 323.385 2.543 20 0 DFADHM Cc1cnc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)s1 ZINC000826318432 608225685 /nfs/dbraw/zinc/22/56/85/608225685.db2.gz JNBYWPGTAGKDAJ-UHFFFAOYSA-N -1 3 323.385 2.543 20 0 DFADHM c1ccc2c(c1)CN(c1ccc3cc(-c4nnn[n-]4)ccc3n1)C2 ZINC000826523524 608227994 /nfs/dbraw/zinc/22/79/94/608227994.db2.gz PIJFRWRABFXDRI-UHFFFAOYSA-N -1 3 314.352 2.935 20 0 DFADHM c1ccc2c(c1)CN(c1ccc3cc(-c4nn[n-]n4)ccc3n1)C2 ZINC000826523524 608227995 /nfs/dbraw/zinc/22/79/95/608227995.db2.gz PIJFRWRABFXDRI-UHFFFAOYSA-N -1 3 314.352 2.935 20 0 DFADHM c1nc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cs1 ZINC000826526564 608229538 /nfs/dbraw/zinc/22/95/38/608229538.db2.gz DFTONOQHICMMJE-UHFFFAOYSA-N -1 3 323.385 2.526 20 0 DFADHM c1nc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cs1 ZINC000826526564 608229540 /nfs/dbraw/zinc/22/95/40/608229540.db2.gz DFTONOQHICMMJE-UHFFFAOYSA-N -1 3 323.385 2.526 20 0 DFADHM COCCC1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826155346 608233235 /nfs/dbraw/zinc/23/32/35/608233235.db2.gz MYUFAOWRKHTCLN-UHFFFAOYSA-N -1 3 324.388 2.644 20 0 DFADHM COCCC1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826155346 608233237 /nfs/dbraw/zinc/23/32/37/608233237.db2.gz MYUFAOWRKHTCLN-UHFFFAOYSA-N -1 3 324.388 2.644 20 0 DFADHM CC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825679872 608235980 /nfs/dbraw/zinc/23/59/80/608235980.db2.gz LXYFFURGVGPGKW-SNVBAGLBSA-N -1 3 321.356 2.538 20 0 DFADHM CC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825679872 608235981 /nfs/dbraw/zinc/23/59/81/608235981.db2.gz LXYFFURGVGPGKW-SNVBAGLBSA-N -1 3 321.356 2.538 20 0 DFADHM C[C@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@H]1C ZINC000824961063 608236453 /nfs/dbraw/zinc/23/64/53/608236453.db2.gz ASFYPRPBAAHEFM-NWDGAFQWSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@H]1C ZINC000824961063 608236455 /nfs/dbraw/zinc/23/64/55/608236455.db2.gz ASFYPRPBAAHEFM-NWDGAFQWSA-N -1 3 308.389 2.897 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825192489 608262216 /nfs/dbraw/zinc/26/22/16/608262216.db2.gz HKSOQTRPBHOIEU-DGCLKSJQSA-N -1 3 314.393 2.970 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825192489 608262217 /nfs/dbraw/zinc/26/22/17/608262217.db2.gz HKSOQTRPBHOIEU-DGCLKSJQSA-N -1 3 314.393 2.970 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825195006 608265639 /nfs/dbraw/zinc/26/56/39/608265639.db2.gz UNVDGFAATZOGMG-ONGXEEELSA-N -1 3 318.356 2.801 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825195006 608265641 /nfs/dbraw/zinc/26/56/41/608265641.db2.gz UNVDGFAATZOGMG-ONGXEEELSA-N -1 3 318.356 2.801 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825192435 608269467 /nfs/dbraw/zinc/26/94/67/608269467.db2.gz GXBSXXSWUQDRGY-JQWIXIFHSA-N -1 3 314.393 2.970 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825192435 608269469 /nfs/dbraw/zinc/26/94/69/608269469.db2.gz GXBSXXSWUQDRGY-JQWIXIFHSA-N -1 3 314.393 2.970 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2c2cccs2)n1 ZINC000826274630 608270773 /nfs/dbraw/zinc/27/07/73/608270773.db2.gz XVTADQPDZRPXIT-LBPRGKRZSA-N -1 3 312.402 2.973 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2c2cccs2)n1 ZINC000826274630 608270775 /nfs/dbraw/zinc/27/07/75/608270775.db2.gz XVTADQPDZRPXIT-LBPRGKRZSA-N -1 3 312.402 2.973 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCC2(c3ccc(F)cc3)CC2)n1 ZINC000826275503 608276133 /nfs/dbraw/zinc/27/61/33/608276133.db2.gz BKGYEZDEQNYXSC-UHFFFAOYSA-N -1 3 324.363 2.853 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCC2(c3ccc(F)cc3)CC2)n1 ZINC000826275503 608276134 /nfs/dbraw/zinc/27/61/34/608276134.db2.gz BKGYEZDEQNYXSC-UHFFFAOYSA-N -1 3 324.363 2.853 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCc3cc(F)ccc32)n1 ZINC000826275867 608277280 /nfs/dbraw/zinc/27/72/80/608277280.db2.gz MYCWWYHMISMANI-AWEZNQCLSA-N -1 3 310.336 2.809 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCc3cc(F)ccc32)n1 ZINC000826275867 608277282 /nfs/dbraw/zinc/27/72/82/608277282.db2.gz MYCWWYHMISMANI-AWEZNQCLSA-N -1 3 310.336 2.809 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)s1 ZINC000826275132 608289623 /nfs/dbraw/zinc/28/96/23/608289623.db2.gz PVXNIQTXIQSVNB-SNVBAGLBSA-N -1 3 314.418 2.983 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)s1 ZINC000826275132 608289625 /nfs/dbraw/zinc/28/96/25/608289625.db2.gz PVXNIQTXIQSVNB-SNVBAGLBSA-N -1 3 314.418 2.983 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCC2(c3cccc(F)c3)CC2)n1 ZINC000826275936 608290506 /nfs/dbraw/zinc/29/05/06/608290506.db2.gz OZEHGWFRUKZDDW-UHFFFAOYSA-N -1 3 324.363 2.853 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCC2(c3cccc(F)c3)CC2)n1 ZINC000826275936 608290508 /nfs/dbraw/zinc/29/05/08/608290508.db2.gz OZEHGWFRUKZDDW-UHFFFAOYSA-N -1 3 324.363 2.853 20 0 DFADHM FC(F)(F)CCNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826367536 608292803 /nfs/dbraw/zinc/29/28/03/608292803.db2.gz CGBTXRCHAVJLIJ-UHFFFAOYSA-N -1 3 312.299 2.505 20 0 DFADHM FC(F)(F)CCNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826367536 608292805 /nfs/dbraw/zinc/29/28/05/608292805.db2.gz CGBTXRCHAVJLIJ-UHFFFAOYSA-N -1 3 312.299 2.505 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000826274070 608295366 /nfs/dbraw/zinc/29/53/66/608295366.db2.gz FXMCPWVDKNLMIV-CYBMUJFWSA-N -1 3 324.363 2.703 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000826274070 608295368 /nfs/dbraw/zinc/29/53/68/608295368.db2.gz FXMCPWVDKNLMIV-CYBMUJFWSA-N -1 3 324.363 2.703 20 0 DFADHM COc1cccc2c1CC[C@@H]2Nc1nc(C)ccc1-c1nnn[n-]1 ZINC000826217982 608296327 /nfs/dbraw/zinc/29/63/27/608296327.db2.gz KJOWLVSGFXYLRN-AWEZNQCLSA-N -1 3 322.372 2.678 20 0 DFADHM COc1cccc2c1CC[C@@H]2Nc1nc(C)ccc1-c1nn[n-]n1 ZINC000826217982 608296329 /nfs/dbraw/zinc/29/63/29/608296329.db2.gz KJOWLVSGFXYLRN-AWEZNQCLSA-N -1 3 322.372 2.678 20 0 DFADHM c1cc(N2CCC[C@H](C[C@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC000826517042 608296916 /nfs/dbraw/zinc/29/69/16/608296916.db2.gz NFEXWOJQUBBTGY-ZIAGYGMSSA-N -1 3 313.405 2.510 20 0 DFADHM CCOCCC1(CNc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC000825590266 608297456 /nfs/dbraw/zinc/29/74/56/608297456.db2.gz RTRXCZIGQMSYTC-UHFFFAOYSA-N -1 3 316.409 2.579 20 0 DFADHM CCOCCC1(CNc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC000825590266 608297459 /nfs/dbraw/zinc/29/74/59/608297459.db2.gz RTRXCZIGQMSYTC-UHFFFAOYSA-N -1 3 316.409 2.579 20 0 DFADHM COCC1(C)CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826152897 608297653 /nfs/dbraw/zinc/29/76/53/608297653.db2.gz SGZMMMGAHXTTPI-UHFFFAOYSA-N -1 3 321.812 2.773 20 0 DFADHM COCC1(C)CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826152897 608297654 /nfs/dbraw/zinc/29/76/54/608297654.db2.gz SGZMMMGAHXTTPI-UHFFFAOYSA-N -1 3 321.812 2.773 20 0 DFADHM COCCCCCSCc1ccc(-c2nnn[n-]2)cc1OC ZINC000826156350 608321778 /nfs/dbraw/zinc/32/17/78/608321778.db2.gz ZICBMQFWHHJQSC-UHFFFAOYSA-N -1 3 322.434 2.925 20 0 DFADHM COCCCCCSCc1ccc(-c2nn[n-]n2)cc1OC ZINC000826156350 608321781 /nfs/dbraw/zinc/32/17/81/608321781.db2.gz ZICBMQFWHHJQSC-UHFFFAOYSA-N -1 3 322.434 2.925 20 0 DFADHM C[C@@H](c1ccc(F)c(F)c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC000824761537 608364055 /nfs/dbraw/zinc/36/40/55/608364055.db2.gz BMYFBJPZIVXNTM-VIFPVBQESA-N -1 3 316.315 2.737 20 0 DFADHM C[C@@H](c1ccc(F)c(F)c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC000824761537 608364056 /nfs/dbraw/zinc/36/40/56/608364056.db2.gz BMYFBJPZIVXNTM-VIFPVBQESA-N -1 3 316.315 2.737 20 0 DFADHM C[C@H](O)c1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000824707500 608372457 /nfs/dbraw/zinc/37/24/57/608372457.db2.gz RMVHAYNBONYBLY-JTQLQIEISA-N -1 3 313.336 2.671 20 0 DFADHM C[C@H](O)c1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000824707500 608372458 /nfs/dbraw/zinc/37/24/58/608372458.db2.gz RMVHAYNBONYBLY-JTQLQIEISA-N -1 3 313.336 2.671 20 0 DFADHM C[C@@H](COc1ccccc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824449270 608374790 /nfs/dbraw/zinc/37/47/90/608374790.db2.gz NCTYYIVVYZWWHU-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM C[C@@H](COc1ccccc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824449270 608374792 /nfs/dbraw/zinc/37/47/92/608374792.db2.gz NCTYYIVVYZWWHU-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM Cc1nc(CCSc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826326058 608397213 /nfs/dbraw/zinc/39/72/13/608397213.db2.gz XQRXMHSGYIIABA-UHFFFAOYSA-N -1 3 303.416 2.966 20 0 DFADHM Cc1nc(CCSc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826326058 608397214 /nfs/dbraw/zinc/39/72/14/608397214.db2.gz XQRXMHSGYIIABA-UHFFFAOYSA-N -1 3 303.416 2.966 20 0 DFADHM Fc1c(Cn2cc(-c3ccccc3)cn2)cccc1-c1nnn[n-]1 ZINC000826371357 608397444 /nfs/dbraw/zinc/39/74/44/608397444.db2.gz COIRJFPBKVCRGM-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1c(Cn2cc(-c3ccccc3)cn2)cccc1-c1nn[n-]n1 ZINC000826371357 608397446 /nfs/dbraw/zinc/39/74/46/608397446.db2.gz COIRJFPBKVCRGM-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM CCc1c[nH]c(SCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000825694336 608399060 /nfs/dbraw/zinc/39/90/60/608399060.db2.gz OLVBBIFINAAUAU-UHFFFAOYSA-N -1 3 304.354 2.584 20 0 DFADHM CCc1c[nH]c(SCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000825694336 608399061 /nfs/dbraw/zinc/39/90/61/608399061.db2.gz OLVBBIFINAAUAU-UHFFFAOYSA-N -1 3 304.354 2.584 20 0 DFADHM O=Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c(F)c1 ZINC000826484225 608400276 /nfs/dbraw/zinc/40/02/76/608400276.db2.gz SSWFTSMCTSSWDM-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM O=Cc1ccc(OCc2cccc(-c3nn[n-]n3)c2F)c(F)c1 ZINC000826484225 608400277 /nfs/dbraw/zinc/40/02/77/608400277.db2.gz SSWFTSMCTSSWDM-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM Cc1cc(CSCc2cccc(-c3nnn[n-]3)c2F)no1 ZINC000826267633 608404078 /nfs/dbraw/zinc/40/40/78/608404078.db2.gz OBXRETNRGOGZKY-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM Cc1cc(CSCc2cccc(-c3nn[n-]n3)c2F)no1 ZINC000826267633 608404079 /nfs/dbraw/zinc/40/40/79/608404079.db2.gz OBXRETNRGOGZKY-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000826145993 608417136 /nfs/dbraw/zinc/41/71/36/608417136.db2.gz OLYWRIKHFAWNGL-ABAIWWIYSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000826145993 608417137 /nfs/dbraw/zinc/41/71/37/608417137.db2.gz OLYWRIKHFAWNGL-ABAIWWIYSA-N -1 3 324.388 2.642 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826400848 608437545 /nfs/dbraw/zinc/43/75/45/608437545.db2.gz JSPMPVIPZDLFPL-KTKRTIGZSA-N -1 3 324.315 2.762 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826400848 608437546 /nfs/dbraw/zinc/43/75/46/608437546.db2.gz JSPMPVIPZDLFPL-KTKRTIGZSA-N -1 3 324.315 2.762 20 0 DFADHM Fc1cccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826377091 608442408 /nfs/dbraw/zinc/44/24/08/608442408.db2.gz DNQYMUOBJXKIRV-UHFFFAOYSA-N -1 3 322.347 2.695 20 0 DFADHM Fc1cccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826377091 608442410 /nfs/dbraw/zinc/44/24/10/608442410.db2.gz DNQYMUOBJXKIRV-UHFFFAOYSA-N -1 3 322.347 2.695 20 0 DFADHM CCc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1CC ZINC000825711868 608472220 /nfs/dbraw/zinc/47/22/20/608472220.db2.gz 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/nfs/dbraw/zinc/50/35/00/608503500.db2.gz CCGJHHXTGMYMFH-VIFPVBQESA-N -1 3 301.375 2.641 20 0 DFADHM COc1ccc(F)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826209059 608542505 /nfs/dbraw/zinc/54/25/05/608542505.db2.gz KVMHHJYDSKHOEX-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(F)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826209059 608542507 /nfs/dbraw/zinc/54/25/07/608542507.db2.gz KVMHHJYDSKHOEX-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc2c(c1)COC2 ZINC000826371834 608542732 /nfs/dbraw/zinc/54/27/32/608542732.db2.gz WLNUWDCBPXYDIN-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc2c(c1)COC2 ZINC000826371834 608542734 /nfs/dbraw/zinc/54/27/34/608542734.db2.gz WLNUWDCBPXYDIN-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM CCOC(=O)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825492965 608582365 /nfs/dbraw/zinc/58/23/65/608582365.db2.gz IKYNFAOXPMNQES-LBPRGKRZSA-N -1 3 306.391 2.547 20 0 DFADHM CCOC(=O)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825492965 608582367 /nfs/dbraw/zinc/58/23/67/608582367.db2.gz IKYNFAOXPMNQES-LBPRGKRZSA-N -1 3 306.391 2.547 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc(Cl)cn2)n1 ZINC000826263132 608585590 /nfs/dbraw/zinc/58/55/90/608585590.db2.gz MJSBJXSLSFDACL-UHFFFAOYSA-N -1 3 315.768 2.539 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2ccc(Cl)cn2)n1 ZINC000826263132 608585591 /nfs/dbraw/zinc/58/55/91/608585591.db2.gz MJSBJXSLSFDACL-UHFFFAOYSA-N -1 3 315.768 2.539 20 0 DFADHM CC(C)[C@@H](O)C1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824198729 608586464 /nfs/dbraw/zinc/58/64/64/608586464.db2.gz CWQMGSMGYGJOBQ-CYBMUJFWSA-N -1 3 321.812 2.729 20 0 DFADHM CC(C)[C@@H](O)C1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824198729 608586465 /nfs/dbraw/zinc/58/64/65/608586465.db2.gz CWQMGSMGYGJOBQ-CYBMUJFWSA-N -1 3 321.812 2.729 20 0 DFADHM Cc1cccn2cc(CNc3cccc(F)c3-c3nnn[n-]3)nc12 ZINC000826308324 608667663 /nfs/dbraw/zinc/66/76/63/608667663.db2.gz UOMFIAKLNASMLH-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cccn2cc(CNc3cccc(F)c3-c3nn[n-]n3)nc12 ZINC000826308324 608667664 /nfs/dbraw/zinc/66/76/64/608667664.db2.gz UOMFIAKLNASMLH-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM CC(C)COc1ccccc1CNc1cnccc1-c1nnn[n-]1 ZINC000824270393 608776009 /nfs/dbraw/zinc/77/60/09/608776009.db2.gz DXTXPJNBRQOUHP-UHFFFAOYSA-N -1 3 324.388 2.909 20 0 DFADHM CC(C)COc1ccccc1CNc1cnccc1-c1nn[n-]n1 ZINC000824270393 608776010 /nfs/dbraw/zinc/77/60/10/608776010.db2.gz DXTXPJNBRQOUHP-UHFFFAOYSA-N -1 3 324.388 2.909 20 0 DFADHM COc1cccc(C(C)(C)CNc2cnccc2-c2nnn[n-]2)c1 ZINC000826214219 608793914 /nfs/dbraw/zinc/79/39/14/608793914.db2.gz DUDCDWKCFWDBNU-UHFFFAOYSA-N -1 3 324.388 2.660 20 0 DFADHM COc1cccc(C(C)(C)CNc2cnccc2-c2nn[n-]n2)c1 ZINC000826214219 608793915 /nfs/dbraw/zinc/79/39/15/608793915.db2.gz DUDCDWKCFWDBNU-UHFFFAOYSA-N -1 3 324.388 2.660 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(C)c(C)o1 ZINC000825480817 609179188 /nfs/dbraw/zinc/17/91/88/609179188.db2.gz MGHDXYSZAYOYGI-UHFFFAOYSA-N -1 3 313.365 2.515 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2ccccn2)c1 ZINC000826373396 609185790 /nfs/dbraw/zinc/18/57/90/609185790.db2.gz KMEKEUSBFPYJJS-UHFFFAOYSA-N -1 3 301.350 2.834 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2ccccn2)c1 ZINC000826373396 609185791 /nfs/dbraw/zinc/18/57/91/609185791.db2.gz KMEKEUSBFPYJJS-UHFFFAOYSA-N -1 3 301.350 2.834 20 0 DFADHM Fc1c(CSCc2ccccn2)cccc1-c1nnn[n-]1 ZINC000826370717 609185843 /nfs/dbraw/zinc/18/58/43/609185843.db2.gz FIZWMGYOLNZOFP-UHFFFAOYSA-N -1 3 301.350 2.834 20 0 DFADHM Fc1c(CSCc2ccccn2)cccc1-c1nn[n-]n1 ZINC000826370717 609185845 /nfs/dbraw/zinc/18/58/45/609185845.db2.gz FIZWMGYOLNZOFP-UHFFFAOYSA-N -1 3 301.350 2.834 20 0 DFADHM CC(C)CC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC000824245447 609213962 /nfs/dbraw/zinc/21/39/62/609213962.db2.gz ZVTUJUYMLMGZTC-CYBMUJFWSA-N -1 3 318.425 2.776 20 0 DFADHM CC(C)CC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000824245447 609213964 /nfs/dbraw/zinc/21/39/64/609213964.db2.gz ZVTUJUYMLMGZTC-CYBMUJFWSA-N -1 3 318.425 2.776 20 0 DFADHM CC(C)C[C@H]1CCCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824242666 609216931 /nfs/dbraw/zinc/21/69/31/609216931.db2.gz AABKIHZMPGSRLC-CYBMUJFWSA-N -1 3 316.409 2.626 20 0 DFADHM CC(C)C[C@H]1CCCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824242666 609216932 /nfs/dbraw/zinc/21/69/32/609216932.db2.gz AABKIHZMPGSRLC-CYBMUJFWSA-N -1 3 316.409 2.626 20 0 DFADHM O=C(OCc1ccc(CF)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826465339 609241180 /nfs/dbraw/zinc/24/11/80/609241180.db2.gz ITBUZZYYNLSMPH-UHFFFAOYSA-N -1 3 318.333 2.755 20 0 DFADHM O=C(OCc1ccc(CF)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826465339 609241181 /nfs/dbraw/zinc/24/11/81/609241181.db2.gz ITBUZZYYNLSMPH-UHFFFAOYSA-N -1 3 318.333 2.755 20 0 DFADHM C[C@H](OC(=O)C(C)(Cl)Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000824708622 609256165 /nfs/dbraw/zinc/25/61/65/609256165.db2.gz ZEPJFRCAAATTEE-ZETCQYMHSA-N -1 3 315.160 2.665 20 0 DFADHM C[C@H](OC(=O)C(C)(Cl)Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824708622 609256166 /nfs/dbraw/zinc/25/61/66/609256166.db2.gz ZEPJFRCAAATTEE-ZETCQYMHSA-N -1 3 315.160 2.665 20 0 DFADHM CC(C)(C)Cc1nnc(NCc2ccc(-c3nnn[n-]3)s2)o1 ZINC000824093998 609265888 /nfs/dbraw/zinc/26/58/88/609265888.db2.gz OIIFYRKSSJUJCJ-UHFFFAOYSA-N -1 3 319.394 2.512 20 0 DFADHM CCC1(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCC1 ZINC000825170481 609292624 /nfs/dbraw/zinc/29/26/24/609292624.db2.gz AHQIUIDKHHVQNI-UHFFFAOYSA-N -1 3 319.796 2.830 20 0 DFADHM CCC1(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCC1 ZINC000825170481 609292625 /nfs/dbraw/zinc/29/26/25/609292625.db2.gz AHQIUIDKHHVQNI-UHFFFAOYSA-N -1 3 319.796 2.830 20 0 DFADHM CCC(CC)[C@H]1C[C@@H](Nc2cnccc2-c2nnn[n-]2)CCO1 ZINC000825106853 609321969 /nfs/dbraw/zinc/32/19/69/609321969.db2.gz JWIJQLVCJITCCH-SWLSCSKDSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@H]1C[C@@H](Nc2cnccc2-c2nn[n-]n2)CCO1 ZINC000825106853 609321971 /nfs/dbraw/zinc/32/19/71/609321971.db2.gz JWIJQLVCJITCCH-SWLSCSKDSA-N -1 3 316.409 2.657 20 0 DFADHM Cc1occc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826342722 609331133 /nfs/dbraw/zinc/33/11/33/609331133.db2.gz XDQPZUDPZWUUNZ-VIFPVBQESA-N -1 3 301.325 2.758 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000824797275 609392951 /nfs/dbraw/zinc/39/29/51/609392951.db2.gz XTDXDHZOLKWBKP-LLVKDONJSA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000824797275 609392953 /nfs/dbraw/zinc/39/29/53/609392953.db2.gz XTDXDHZOLKWBKP-LLVKDONJSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC[C@]2(CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000824915328 609395704 /nfs/dbraw/zinc/39/57/04/609395704.db2.gz CTQBYPCYLWWJEN-SJCJKPOMSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@H]1CC[C@]2(CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000824915328 609395706 /nfs/dbraw/zinc/39/57/06/609395706.db2.gz CTQBYPCYLWWJEN-SJCJKPOMSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)C1 ZINC000824915951 609412452 /nfs/dbraw/zinc/41/24/52/609412452.db2.gz IXGJGUTYEONFQM-ZUZCIYMTSA-N -1 3 317.418 2.581 20 0 DFADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)C1 ZINC000824915951 609412453 /nfs/dbraw/zinc/41/24/53/609412453.db2.gz IXGJGUTYEONFQM-ZUZCIYMTSA-N -1 3 317.418 2.581 20 0 DFADHM Cc1nc2c(c(Sc3cccc(-c4nnn[n-]4)c3)n1)CCCC2 ZINC000826328511 609437627 /nfs/dbraw/zinc/43/76/27/609437627.db2.gz UHZXEJISBDLCEU-UHFFFAOYSA-N -1 3 324.413 2.995 20 0 DFADHM Cc1nc2c(c(Sc3cccc(-c4nn[n-]n4)c3)n1)CCCC2 ZINC000826328511 609437629 /nfs/dbraw/zinc/43/76/29/609437629.db2.gz UHZXEJISBDLCEU-UHFFFAOYSA-N -1 3 324.413 2.995 20 0 DFADHM OCc1ccc(CSCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826510388 609442561 /nfs/dbraw/zinc/44/25/61/609442561.db2.gz NYQIDUGQWDHXKR-UHFFFAOYSA-N -1 3 312.398 2.792 20 0 DFADHM OCc1ccc(CSCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826510388 609442562 /nfs/dbraw/zinc/44/25/62/609442562.db2.gz NYQIDUGQWDHXKR-UHFFFAOYSA-N -1 3 312.398 2.792 20 0 DFADHM c1ccn2c(c1)nc(NCCC1=CCCCC1)c2-c1nnn[n-]1 ZINC000823867721 609454469 /nfs/dbraw/zinc/45/44/69/609454469.db2.gz DUUFMGDFVKGGGW-UHFFFAOYSA-N -1 3 309.377 2.817 20 0 DFADHM c1ccn2c(c1)nc(NCCC1=CCCCC1)c2-c1nn[n-]n1 ZINC000823867721 609454472 /nfs/dbraw/zinc/45/44/72/609454472.db2.gz DUUFMGDFVKGGGW-UHFFFAOYSA-N -1 3 309.377 2.817 20 0 DFADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1csc2ccccc12 ZINC000826358434 609459380 /nfs/dbraw/zinc/45/93/80/609459380.db2.gz UATWWNDTLDINRG-UHFFFAOYSA-N -1 3 324.369 2.672 20 0 DFADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1csc2ccccc12 ZINC000826358434 609459382 /nfs/dbraw/zinc/45/93/82/609459382.db2.gz UATWWNDTLDINRG-UHFFFAOYSA-N -1 3 324.369 2.672 20 0 DFADHM C[C@@H]1CC(C(=O)Nc2sccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824875698 609507966 /nfs/dbraw/zinc/50/79/66/609507966.db2.gz NUADHQAZDJVCCP-IUCAKERBSA-N -1 3 305.407 2.939 20 0 DFADHM C[C@@H]1CC(C(=O)Nc2sccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824875698 609507968 /nfs/dbraw/zinc/50/79/68/609507968.db2.gz NUADHQAZDJVCCP-IUCAKERBSA-N -1 3 305.407 2.939 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826231999 609508085 /nfs/dbraw/zinc/50/80/85/609508085.db2.gz BKQUMASHBWPODA-JTQLQIEISA-N -1 3 312.304 2.715 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826231999 609508087 /nfs/dbraw/zinc/50/80/87/609508087.db2.gz BKQUMASHBWPODA-JTQLQIEISA-N -1 3 312.304 2.715 20 0 DFADHM Cc1ccnc(N[C@@H]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826312919 609523420 /nfs/dbraw/zinc/52/34/20/609523420.db2.gz RMEJKAWWJTZHLF-CQSZACIVSA-N -1 3 306.373 2.540 20 0 DFADHM Cc1ccnc(N[C@@H]2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826312919 609523423 /nfs/dbraw/zinc/52/34/23/609523423.db2.gz RMEJKAWWJTZHLF-CQSZACIVSA-N -1 3 306.373 2.540 20 0 DFADHM COc1ccc(C)cc1CCNc1nccc(C)c1-c1nnn[n-]1 ZINC000826190031 609523976 /nfs/dbraw/zinc/52/39/76/609523976.db2.gz NNRMFKFMJBSNBI-UHFFFAOYSA-N -1 3 324.388 2.542 20 0 DFADHM COc1ccc(C)cc1CCNc1nccc(C)c1-c1nn[n-]n1 ZINC000826190031 609523978 /nfs/dbraw/zinc/52/39/78/609523978.db2.gz NNRMFKFMJBSNBI-UHFFFAOYSA-N -1 3 324.388 2.542 20 0 DFADHM CC[C@@H]1CCCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000825204487 609532714 /nfs/dbraw/zinc/53/27/14/609532714.db2.gz RKQKXAXOEXJSJP-SNVBAGLBSA-N -1 3 306.801 2.850 20 0 DFADHM CC[C@@H]1CCCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000825204487 609532717 /nfs/dbraw/zinc/53/27/17/609532717.db2.gz RKQKXAXOEXJSJP-SNVBAGLBSA-N -1 3 306.801 2.850 20 0 DFADHM Cc1ccnc(NCc2cccc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC000826314248 609538388 /nfs/dbraw/zinc/53/83/88/609538388.db2.gz MZUIZTSPMBFDBO-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM Cc1ccnc(NCc2cccc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC000826314248 609538390 /nfs/dbraw/zinc/53/83/90/609538390.db2.gz MZUIZTSPMBFDBO-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM CO[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000826166614 609541263 /nfs/dbraw/zinc/54/12/63/609541263.db2.gz SRVXBSIBFRZUCO-OAHLLOKOSA-N -1 3 323.356 2.501 20 0 DFADHM CO[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000826166614 609541266 /nfs/dbraw/zinc/54/12/66/609541266.db2.gz SRVXBSIBFRZUCO-OAHLLOKOSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1ccnc(N2CCC[C@H]2CC(C)(C)C)c1-c1nnn[n-]1 ZINC000826310431 609543155 /nfs/dbraw/zinc/54/31/55/609543155.db2.gz VOQXVHOXUDJILU-LBPRGKRZSA-N -1 3 300.410 2.975 20 0 DFADHM Cc1ccnc(N2CCC[C@H]2CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826310431 609543156 /nfs/dbraw/zinc/54/31/56/609543156.db2.gz VOQXVHOXUDJILU-LBPRGKRZSA-N -1 3 300.410 2.975 20 0 DFADHM Cc1cccc2c1OCC[C@H]2Nc1nccc(C)c1-c1nnn[n-]1 ZINC000826305270 609544279 /nfs/dbraw/zinc/54/42/79/609544279.db2.gz QLSJWJUIYZWBGA-CYBMUJFWSA-N -1 3 322.372 2.814 20 0 DFADHM Cc1cccc2c1OCC[C@H]2Nc1nccc(C)c1-c1nn[n-]n1 ZINC000826305270 609544282 /nfs/dbraw/zinc/54/42/82/609544282.db2.gz QLSJWJUIYZWBGA-CYBMUJFWSA-N -1 3 322.372 2.814 20 0 DFADHM Cc1c(Cl)cnc(N2CCCC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826237450 609552969 /nfs/dbraw/zinc/55/29/69/609552969.db2.gz AIPCOUAPOLFGCO-UHFFFAOYSA-N -1 3 306.801 2.850 20 0 DFADHM Cc1c(Cl)cnc(N2CCCC(C)(C)C2)c1-c1nn[n-]n1 ZINC000826237450 609552973 /nfs/dbraw/zinc/55/29/73/609552973.db2.gz AIPCOUAPOLFGCO-UHFFFAOYSA-N -1 3 306.801 2.850 20 0 DFADHM Cc1ccnc(N2C[C@@H](C)[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826309082 609563760 /nfs/dbraw/zinc/56/37/60/609563760.db2.gz CJWNPFWZONDPIR-IUODEOHRSA-N -1 3 306.373 2.768 20 0 DFADHM Cc1ccnc(N2C[C@@H](C)[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826309082 609563762 /nfs/dbraw/zinc/56/37/62/609563762.db2.gz CJWNPFWZONDPIR-IUODEOHRSA-N -1 3 306.373 2.768 20 0 DFADHM Cc1ccnc(N2C[C@H](C)[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826309084 609563950 /nfs/dbraw/zinc/56/39/50/609563950.db2.gz CJWNPFWZONDPIR-WFASDCNBSA-N -1 3 306.373 2.768 20 0 DFADHM Cc1ccnc(N2C[C@H](C)[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826309084 609563952 /nfs/dbraw/zinc/56/39/52/609563952.db2.gz CJWNPFWZONDPIR-WFASDCNBSA-N -1 3 306.373 2.768 20 0 DFADHM CCC[C@@H]1[C@@H](C)CCCN1c1nccc(C)c1-c1nnn[n-]1 ZINC000825254825 609569838 /nfs/dbraw/zinc/56/98/38/609569838.db2.gz VCSCGSUANPKKLO-WCQYABFASA-N -1 3 300.410 2.975 20 0 DFADHM CCC[C@@H]1[C@@H](C)CCCN1c1nccc(C)c1-c1nn[n-]n1 ZINC000825254825 609569840 /nfs/dbraw/zinc/56/98/40/609569840.db2.gz VCSCGSUANPKKLO-WCQYABFASA-N -1 3 300.410 2.975 20 0 DFADHM CC[C@H]1CC[C@H](C)N1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825194407 609584383 /nfs/dbraw/zinc/58/43/83/609584383.db2.gz QOAWTQGKLJFXJB-WPRPVWTQSA-N -1 3 306.801 2.991 20 0 DFADHM CC[C@H]1CC[C@H](C)N1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825194407 609584386 /nfs/dbraw/zinc/58/43/86/609584386.db2.gz QOAWTQGKLJFXJB-WPRPVWTQSA-N -1 3 306.801 2.991 20 0 DFADHM Cc1c(Cl)cnc(NC[C@@H]2CCCCS2)c1-c1nnn[n-]1 ZINC000826239364 609587540 /nfs/dbraw/zinc/58/75/40/609587540.db2.gz FITQXYPPZQOFRJ-VIFPVBQESA-N -1 3 324.841 2.921 20 0 DFADHM Cc1c(Cl)cnc(NC[C@@H]2CCCCS2)c1-c1nn[n-]n1 ZINC000826239364 609587543 /nfs/dbraw/zinc/58/75/43/609587543.db2.gz FITQXYPPZQOFRJ-VIFPVBQESA-N -1 3 324.841 2.921 20 0 DFADHM Cc1cnc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826317550 609591701 /nfs/dbraw/zinc/59/17/01/609591701.db2.gz 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ZINC000825029566 609616702 /nfs/dbraw/zinc/61/67/02/609616702.db2.gz WNYVUQQXRQFGRR-MQQKCMAXSA-N -1 3 304.737 2.696 20 0 DFADHM CC=CC=CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825029566 609616703 /nfs/dbraw/zinc/61/67/03/609616703.db2.gz WNYVUQQXRQFGRR-MQQKCMAXSA-N -1 3 304.737 2.696 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1CC12CCC2 ZINC000826465650 609616708 /nfs/dbraw/zinc/61/67/08/609616708.db2.gz WHLBAAPHWVABMO-GFCCVEGCSA-N -1 3 318.764 2.754 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1CC12CCC2 ZINC000826465650 609616709 /nfs/dbraw/zinc/61/67/09/609616709.db2.gz WHLBAAPHWVABMO-GFCCVEGCSA-N -1 3 318.764 2.754 20 0 DFADHM O=C(CCC1CC1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826405400 609617909 /nfs/dbraw/zinc/61/79/09/609617909.db2.gz DMLHCQRMTVIXLM-UHFFFAOYSA-N -1 3 306.753 2.754 20 0 DFADHM O=C(CCC1CC1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826405400 609617910 /nfs/dbraw/zinc/61/79/10/609617910.db2.gz DMLHCQRMTVIXLM-UHFFFAOYSA-N -1 3 306.753 2.754 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1C[C@@H]1C1CC1 ZINC000826465524 609618331 /nfs/dbraw/zinc/61/83/31/609618331.db2.gz QLCXZCKZYAIAIN-YPMHNXCESA-N -1 3 318.764 2.609 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1C[C@@H]1C1CC1 ZINC000826465524 609618332 /nfs/dbraw/zinc/61/83/32/609618332.db2.gz QLCXZCKZYAIAIN-YPMHNXCESA-N -1 3 318.764 2.609 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825060896 609642359 /nfs/dbraw/zinc/64/23/59/609642359.db2.gz UTNQJZFDWRPBKE-VHSXEESVSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825060896 609642360 /nfs/dbraw/zinc/64/23/60/609642360.db2.gz UTNQJZFDWRPBKE-VHSXEESVSA-N -1 3 306.341 2.731 20 0 DFADHM COc1cc(SC)ccc1NC([O-])=NOC[C@H]1CCOC1 ZINC000278271765 214059806 /nfs/dbraw/zinc/05/98/06/214059806.db2.gz FHVNDKJMBOXNJK-JTQLQIEISA-N -1 3 312.391 2.507 20 0 DFADHM COc1cc(SC)ccc1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000278271765 214059808 /nfs/dbraw/zinc/05/98/08/214059808.db2.gz 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Cc1occc1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731370 398368195 /nfs/dbraw/zinc/36/81/95/398368195.db2.gz HGNMVVMKHYCNRZ-UHFFFAOYSA-N -1 3 304.256 2.904 20 0 DFADHM Cc1occc1C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731370 398368196 /nfs/dbraw/zinc/36/81/96/398368196.db2.gz HGNMVVMKHYCNRZ-UHFFFAOYSA-N -1 3 304.256 2.904 20 0 DFADHM Cc1occc1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731370 398368197 /nfs/dbraw/zinc/36/81/97/398368197.db2.gz HGNMVVMKHYCNRZ-UHFFFAOYSA-N -1 3 304.256 2.904 20 0 DFADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)CC(F)F)cc2)n1 ZINC000413228501 295688511 /nfs/dbraw/zinc/68/85/11/295688511.db2.gz JNTGNWVPFWLKCQ-SECBINFHSA-N -1 3 321.327 2.975 20 0 DFADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000181327418 199281619 /nfs/dbraw/zinc/28/16/19/199281619.db2.gz ZYRVYGXHWISUHI-NSHDSACASA-N -1 3 303.399 2.616 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)c(C)c1 ZINC000066587208 398385840 /nfs/dbraw/zinc/38/58/40/398385840.db2.gz HXFQQSUYESHSCS-UHFFFAOYSA-N -1 3 318.398 2.512 20 0 DFADHM CCS[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000066603778 398387480 /nfs/dbraw/zinc/38/74/80/398387480.db2.gz CWKUFAKMJTXDSF-LBPRGKRZSA-N -1 3 305.407 2.583 20 0 DFADHM CCS[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000066603778 398387484 /nfs/dbraw/zinc/38/74/84/398387484.db2.gz CWKUFAKMJTXDSF-LBPRGKRZSA-N -1 3 305.407 2.583 20 0 DFADHM CCN(Cc1cnn(C)c1)Cc1cc([O-])ccc1Br ZINC000092438085 185318369 /nfs/dbraw/zinc/31/83/69/185318369.db2.gz KCHUPLYVINISJQ-UHFFFAOYSA-N -1 3 324.222 2.910 20 0 DFADHM CCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1 ZINC000305244103 529698972 /nfs/dbraw/zinc/69/89/72/529698972.db2.gz DODVSPINWPNGKO-UHFFFAOYSA-N -1 3 309.362 2.681 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C(C2CC2)C2CC2)c([O-])c1 ZINC000092552018 185325370 /nfs/dbraw/zinc/32/53/70/185325370.db2.gz FBQFQLLVMMSKRM-UHFFFAOYSA-N -1 3 303.358 2.944 20 0 DFADHM CC(C)(C)SCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000066737032 398395870 /nfs/dbraw/zinc/39/58/70/398395870.db2.gz MXCVEODMTSSLPJ-UHFFFAOYSA-N -1 3 304.415 2.790 20 0 DFADHM CCN1CC[C@@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000181394430 199290126 /nfs/dbraw/zinc/29/01/26/199290126.db2.gz KTNZMNSUURLAFI-QWHCGFSZSA-N -1 3 318.314 2.682 20 0 DFADHM C[C@H](c1cnn(C)c1)N(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459402785 299097764 /nfs/dbraw/zinc/09/77/64/299097764.db2.gz PQQGIQZFPNXNAW-CYBMUJFWSA-N -1 3 323.400 2.776 20 0 DFADHM O=C(c1ccc([O-])c(Cl)c1)N1CCCN(CC2CCC2)CC1 ZINC000584707252 398399732 /nfs/dbraw/zinc/39/97/32/398399732.db2.gz BZOMGFYCYZGTMS-UHFFFAOYSA-N -1 3 322.836 2.994 20 0 DFADHM COc1ccc(OC)c(CN(CCCCC(=O)[O-])C2CC2)c1 ZINC000181544654 199314977 /nfs/dbraw/zinc/31/49/77/199314977.db2.gz HAGMMYJYWVXQSX-UHFFFAOYSA-N -1 3 307.390 2.923 20 0 DFADHM CCCN(CCCCC(=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000181552007 199316048 /nfs/dbraw/zinc/31/60/48/199316048.db2.gz QDRHDJXILJBWKA-CQSZACIVSA-N -1 3 306.406 2.981 20 0 DFADHM Cc1ccc(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000066897300 398405698 /nfs/dbraw/zinc/40/56/98/398405698.db2.gz BVSPAWROFIWBBN-VBQJREDUSA-N -1 3 320.433 2.773 20 0 DFADHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000084675044 398406818 /nfs/dbraw/zinc/40/68/18/398406818.db2.gz WNKWVMZEAWNEQX-QWHCGFSZSA-N -1 3 319.373 2.509 20 0 DFADHM CC(C)Oc1nnc(SCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000584766529 398409227 /nfs/dbraw/zinc/40/92/27/398409227.db2.gz VCILAXAYJMHOPV-UHFFFAOYSA-N -1 3 324.431 2.991 20 0 DFADHM Cc1nn(C)c(C)c1CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000067139046 398419003 /nfs/dbraw/zinc/41/90/03/398419003.db2.gz OHLBXPNLFHBBEC-UHFFFAOYSA-N -1 3 307.781 2.967 20 0 DFADHM COc1ccc(C(=O)NCCCN(C)c2ccccc2)c([O-])c1 ZINC000023427903 398424216 /nfs/dbraw/zinc/42/42/16/398424216.db2.gz KIONJQKRJFDNPQ-UHFFFAOYSA-N -1 3 314.385 2.657 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2nc(C)no2)c([O-])c1 ZINC000286741361 219140112 /nfs/dbraw/zinc/14/01/12/219140112.db2.gz WGESVSDXNHWNKH-CYBMUJFWSA-N -1 3 301.346 2.623 20 0 DFADHM Cc1nnc2ccc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)cn12 ZINC000274358033 282347547 /nfs/dbraw/zinc/34/75/47/282347547.db2.gz KBUKALMJAKTPKG-LLVKDONJSA-N -1 3 322.368 2.897 20 0 DFADHM O=C(C[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-])c1ccco1 ZINC000272746993 210149944 /nfs/dbraw/zinc/14/99/44/210149944.db2.gz NEMHHFWFKQONAU-NSHDSACASA-N -1 3 315.325 2.568 20 0 DFADHM C[C@]1(C(=O)Nc2cc(Br)ccc2[O-])CCCOC1 ZINC000272743707 210149469 /nfs/dbraw/zinc/14/94/69/210149469.db2.gz MMZBFSIXDSKBEJ-ZDUSSCGKSA-N -1 3 314.179 2.910 20 0 DFADHM O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1cnn[n-]1 ZINC000089432748 398454588 /nfs/dbraw/zinc/45/45/88/398454588.db2.gz ZLDHGUDBPLBCNN-UHFFFAOYSA-N -1 3 323.143 2.550 20 0 DFADHM O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1c[n-]nn1 ZINC000089432748 398454590 /nfs/dbraw/zinc/45/45/90/398454590.db2.gz ZLDHGUDBPLBCNN-UHFFFAOYSA-N -1 3 323.143 2.550 20 0 DFADHM O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1cn[n-]n1 ZINC000089432748 398454592 /nfs/dbraw/zinc/45/45/92/398454592.db2.gz ZLDHGUDBPLBCNN-UHFFFAOYSA-N -1 3 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DFADHM N#Cc1ccsc1C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117734423 398766955 /nfs/dbraw/zinc/76/69/55/398766955.db2.gz FICTWYORUHCKTJ-UHFFFAOYSA-N -1 3 309.354 2.512 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000048015253 398769372 /nfs/dbraw/zinc/76/93/72/398769372.db2.gz GSFBABMJDOWXQH-INIZCTEOSA-N -1 3 324.380 2.944 20 0 DFADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)s1 ZINC000074880837 398773680 /nfs/dbraw/zinc/77/36/80/398773680.db2.gz UXEOCJNRVRDAKI-UHFFFAOYSA-N -1 3 316.835 2.892 20 0 DFADHM CC(C)(C)c1ccc(C(C)(C)CNC(=O)c2c[n-]nn2)cc1 ZINC000119081890 398773976 /nfs/dbraw/zinc/77/39/76/398773976.db2.gz DMDIXAJBIIVSPB-UHFFFAOYSA-N -1 3 300.406 2.810 20 0 DFADHM CC(C)(C)c1ccc(C(C)(C)CNC(=O)c2cnn[n-]2)cc1 ZINC000119081890 398773978 /nfs/dbraw/zinc/77/39/78/398773978.db2.gz DMDIXAJBIIVSPB-UHFFFAOYSA-N -1 3 300.406 2.810 20 0 DFADHM CC(C)(C)c1ccc(C(C)(C)CNC(=O)c2cn[n-]n2)cc1 ZINC000119081890 398773981 /nfs/dbraw/zinc/77/39/81/398773981.db2.gz DMDIXAJBIIVSPB-UHFFFAOYSA-N -1 3 300.406 2.810 20 0 DFADHM COC(=O)c1sccc1S(=O)(=O)[N-]CCCC(C)(C)C ZINC000120429721 398781558 /nfs/dbraw/zinc/78/15/58/398781558.db2.gz YAFGUUIYSDTFKL-UHFFFAOYSA-N -1 3 319.448 2.639 20 0 DFADHM COC(=O)C[C@H](NC(=O)c1ccc(C)cc1[O-])c1cccs1 ZINC000120448171 398781910 /nfs/dbraw/zinc/78/19/10/398781910.db2.gz NBAJASIUKJUEBI-LBPRGKRZSA-N -1 3 319.382 2.796 20 0 DFADHM O=C([N-]c1nccs1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000136971499 283246800 /nfs/dbraw/zinc/24/68/00/283246800.db2.gz NVZQDASTXVGOGM-UHFFFAOYSA-N -1 3 313.338 2.985 20 0 DFADHM Cc1ccc([O-])c(CN2CCC(Oc3ccc(F)nc3)CC2)n1 ZINC000276846778 213129756 /nfs/dbraw/zinc/12/97/56/213129756.db2.gz UHFBWFZDBWLWOI-UHFFFAOYSA-N -1 3 317.364 2.673 20 0 DFADHM CCc1cccc(C(=O)N2CCN(c3cccs3)CC2)c1[O-] ZINC000137802808 283254717 /nfs/dbraw/zinc/25/47/17/283254717.db2.gz SFPLRSXSXSNNNX-UHFFFAOYSA-N -1 3 316.426 2.979 20 0 DFADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2CC(F)(F)C2)c1 ZINC000292341663 223006896 /nfs/dbraw/zinc/00/68/96/223006896.db2.gz 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CCOc1ccccc1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000054143525 398891013 /nfs/dbraw/zinc/89/10/13/398891013.db2.gz VSAZONXNYMRKSJ-UHFFFAOYSA-N -1 3 322.364 2.857 20 0 DFADHM CCC(=O)[C@H]1CCCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000185829408 199892622 /nfs/dbraw/zinc/89/26/22/199892622.db2.gz YLHOCUQJZXEYJJ-CQSZACIVSA-N -1 3 309.793 2.948 20 0 DFADHM Cc1ccc(-c2ncco2)cc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000276469233 212900803 /nfs/dbraw/zinc/90/08/03/212900803.db2.gz YJLMISLYNUJGHQ-GFCCVEGCSA-N -1 3 317.345 2.740 20 0 DFADHM CCCCN1CC(=O)N[C@@H]1c1cc(Cl)c([O-])c(OCC)c1 ZINC000077475343 398905267 /nfs/dbraw/zinc/90/52/67/398905267.db2.gz OMVBFSHRUVZOPB-HNNXBMFYSA-N -1 3 312.797 2.675 20 0 DFADHM C[C@H]1CCCN(CCNC(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000187273234 200086517 /nfs/dbraw/zinc/08/65/17/200086517.db2.gz IJHHOODKKYCANT-JTQLQIEISA-N -1 3 314.788 2.646 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)c([O-])c1 ZINC000187313333 200092668 /nfs/dbraw/zinc/09/26/68/200092668.db2.gz NDDGARHGTQHGIL-GDBMZVCRSA-N 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3 321.398 2.726 20 0 DFADHM O=S(=O)([N-]C1(Cc2cccc(F)c2)CCC1)c1ccco1 ZINC000188861797 200313370 /nfs/dbraw/zinc/31/33/70/200313370.db2.gz VXGCQIRSWGQWMD-UHFFFAOYSA-N -1 3 309.362 2.862 20 0 DFADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)CCS1 ZINC000188918469 200321747 /nfs/dbraw/zinc/32/17/47/200321747.db2.gz PAQZRDPTUGHEHA-QMMMGPOBSA-N -1 3 305.321 2.989 20 0 DFADHM CC(C)N1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000189035706 200339135 /nfs/dbraw/zinc/33/91/35/200339135.db2.gz ZLENZDZSPAOTBM-UHFFFAOYSA-N -1 3 316.323 2.577 20 0 DFADHM Cc1c(C(=O)Nc2ccccc2[O-])nnn1-c1ccc(C)cc1 ZINC000055482102 398932546 /nfs/dbraw/zinc/93/25/46/398932546.db2.gz OJGXGGLDVAWNTP-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM COC(=O)C1(NC(=O)c2cc([O-])c3ccccc3c2)CCCC1 ZINC000471853492 299310558 /nfs/dbraw/zinc/31/05/58/299310558.db2.gz RISVDQPUJKOALV-UHFFFAOYSA-N -1 3 313.353 2.761 20 0 DFADHM Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)c([O-])c1 ZINC000055695924 398939685 /nfs/dbraw/zinc/93/96/85/398939685.db2.gz 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/nfs/dbraw/zinc/94/87/43/398948743.db2.gz CJYNQOHUBYYEOM-ZDUSSCGKSA-N -1 3 309.793 2.821 20 0 DFADHM COCc1cccc(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000156237901 398949812 /nfs/dbraw/zinc/94/98/12/398949812.db2.gz KJXKQAHHOWDKFQ-UHFFFAOYSA-N -1 3 318.348 2.677 20 0 DFADHM Cc1ccc([O-])c(CNC[C@H]2COC3(CCCCCC3)O2)n1 ZINC000272026426 209396953 /nfs/dbraw/zinc/39/69/53/209396953.db2.gz SUKRIDILMGCRFK-AWEZNQCLSA-N -1 3 306.406 2.651 20 0 DFADHM CC(C)(CCCO)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000281291209 216215596 /nfs/dbraw/zinc/21/55/96/216215596.db2.gz SOTBUYFDOCZSPG-UHFFFAOYSA-N -1 3 319.323 2.940 20 0 DFADHM Cc1cc([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)on1 ZINC000055996901 398951835 /nfs/dbraw/zinc/95/18/35/398951835.db2.gz VNTYJWQPIGAKEN-OAHLLOKOSA-N -1 3 323.352 2.802 20 0 DFADHM O=C(NCCc1c(F)cccc1F)NCc1ccc([O-])c(F)c1 ZINC000157085535 398952842 /nfs/dbraw/zinc/95/28/42/398952842.db2.gz KCFQRWLYZVHTCE-UHFFFAOYSA-N -1 3 324.302 2.851 20 0 DFADHM CCOC(=O)CC(C)(C)CCNC(C)(C)c1nc(C)cc(=O)[n-]1 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CC[C@@H](CSC)N(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000271895050 209302318 /nfs/dbraw/zinc/30/23/18/209302318.db2.gz WXPHVXLTHYLUIX-NSHDSACASA-N -1 3 313.419 2.623 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](OC(F)F)C2)c1 ZINC000613378988 398965993 /nfs/dbraw/zinc/96/59/93/398965993.db2.gz DBGOYQHABHUPKI-VIFPVBQESA-N -1 3 317.357 2.958 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000281394328 216270211 /nfs/dbraw/zinc/27/02/11/216270211.db2.gz BRFJNEFMSCMDTL-SNVBAGLBSA-N -1 3 302.296 2.523 20 0 DFADHM Cc1ccc(CNC2(C(=O)[O-])CCC(C(C)(C)C)CC2)nn1 ZINC000417560854 296031105 /nfs/dbraw/zinc/03/11/05/296031105.db2.gz CJCDBGARSSKOFG-UHFFFAOYSA-N -1 3 305.422 2.934 20 0 DFADHM Cc1nn(C)c2ncc(CN[C@@H](CC(=O)[O-])c3ccccc3)cc12 ZINC000417554747 296030604 /nfs/dbraw/zinc/03/06/04/296030604.db2.gz JZUIYVOTLNCUCV-INIZCTEOSA-N -1 3 324.384 2.582 20 0 DFADHM C[C@H]1CCC[C@](NCc2nccn2CC(F)(F)F)(C(=O)[O-])C1 ZINC000417560067 296030767 /nfs/dbraw/zinc/03/07/67/296030767.db2.gz 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296033391 /nfs/dbraw/zinc/03/33/91/296033391.db2.gz CNZIVPPXGLUPPK-AWEZNQCLSA-N -1 3 307.321 2.665 20 0 DFADHM C[C@@H](NCc1cccc(Br)c1F)[C@H](C)C(=O)[O-] ZINC000417610537 296035506 /nfs/dbraw/zinc/03/55/06/296035506.db2.gz UALHZEXLOWIZCZ-JGVFFNPUSA-N -1 3 304.159 2.787 20 0 DFADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1c(F)cccc1OC(F)(F)F ZINC000417610776 296035526 /nfs/dbraw/zinc/03/55/26/296035526.db2.gz UIMPSEDLJSVVRC-SFYZADRCSA-N -1 3 309.259 2.923 20 0 DFADHM CC(C)Cc1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000417603234 296034658 /nfs/dbraw/zinc/03/46/58/296034658.db2.gz XEWBUCHEFWKWAB-INIZCTEOSA-N -1 3 301.390 2.534 20 0 DFADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1 ZINC000193327343 201030721 /nfs/dbraw/zinc/03/07/21/201030721.db2.gz GEZCXDSDKGDMNZ-LBPRGKRZSA-N -1 3 322.386 2.651 20 0 DFADHM COc1ccc(Br)c(CN[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000417619394 296036301 /nfs/dbraw/zinc/03/63/01/296036301.db2.gz ZKGYFGAPKBAVFM-DTWKUNHWSA-N -1 3 316.195 2.657 20 0 DFADHM CO[C@@H](CNCc1ccc(-c2cccc(F)c2C)o1)C(=O)[O-] ZINC000417623074 296036498 /nfs/dbraw/zinc/03/64/98/296036498.db2.gz JCPIFUIZLNWVHT-HNNXBMFYSA-N -1 3 307.321 2.583 20 0 DFADHM CCOC[C@H](NCc1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000417613445 296035674 /nfs/dbraw/zinc/03/56/74/296035674.db2.gz ZJSRVRHOBPNNLY-JTQLQIEISA-N -1 3 323.723 2.521 20 0 DFADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000006316095 181329426 /nfs/dbraw/zinc/32/94/26/181329426.db2.gz LOXMCYCIWSEQPQ-UHFFFAOYSA-N -1 3 323.345 2.803 20 0 DFADHM C[C@H](CCC(=O)[O-])NCc1ccc(F)cc1Br ZINC000417617922 296036007 /nfs/dbraw/zinc/03/60/07/296036007.db2.gz WUAUZXSSWCPUHF-MRVPVSSYSA-N -1 3 304.159 2.931 20 0 DFADHM C[C@H](CNCc1c(F)cccc1Br)CC(=O)[O-] ZINC000417617431 296036014 /nfs/dbraw/zinc/03/60/14/296036014.db2.gz IHAKIVPTMRUKSJ-QMMMGPOBSA-N -1 3 304.159 2.789 20 0 DFADHM CO[C@H](CNCc1ccc(-c2cccc(F)c2)s1)C(=O)[O-] ZINC000417636138 296037426 /nfs/dbraw/zinc/03/74/26/296037426.db2.gz XIIBEASUKZXCRT-CYBMUJFWSA-N -1 3 309.362 2.743 20 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307.390 2.587 20 0 DFADHM CCOC(C)(C)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000194064885 201173070 /nfs/dbraw/zinc/17/30/70/201173070.db2.gz SKOBFWKYJKMIAA-UHFFFAOYSA-N -1 3 305.296 2.956 20 0 DFADHM CC1(C)CC(C(=O)N2CCc3c(nc[n-]c3=O)C2)CC(C)(C)C1 ZINC000613428812 398981825 /nfs/dbraw/zinc/98/18/25/398981825.db2.gz KGHIJVZLGKBIQS-UHFFFAOYSA-N -1 3 317.433 2.919 20 0 DFADHM COc1cccc(C(=O)NC[C@H]2CCc3ccccc3C2)c1[O-] ZINC000604954547 398984957 /nfs/dbraw/zinc/98/49/57/398984957.db2.gz BKNGVVWUTIULPT-ZDUSSCGKSA-N -1 3 311.381 2.936 20 0 DFADHM C[C@H]([N-]C(=O)C(F)F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000194730018 201279460 /nfs/dbraw/zinc/27/94/60/201279460.db2.gz CGEYNTGLAMGFHS-LURJTMIESA-N -1 3 301.680 2.832 20 0 DFADHM COC(=O)c1ccc([N-]C(=O)c2cc(C3CC3)no2)c(F)c1 ZINC000281571884 216392313 /nfs/dbraw/zinc/39/23/13/216392313.db2.gz CQOKQVPYGSPDPF-UHFFFAOYSA-N -1 3 304.277 2.730 20 0 DFADHM CCOC(=O)c1cc(C)sc1NC([O-])=NOCCSC ZINC000281572977 216392983 /nfs/dbraw/zinc/39/29/83/216392983.db2.gz 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CO[C@]1(C)C[C@@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1(C)C ZINC000332437796 533372970 /nfs/dbraw/zinc/37/29/70/533372970.db2.gz JCSPXJCIKAYOFL-RHSMWYFYSA-N -1 3 305.374 2.528 20 0 DFADHM CC(C)COc1ccc([C@@H](C)NC(=O)c2cc(=O)[n-]cn2)cc1 ZINC000626085168 399748399 /nfs/dbraw/zinc/74/83/99/399748399.db2.gz CIFGCNNLSHIFHG-GFCCVEGCSA-N -1 3 315.373 2.708 20 0 DFADHM FC(F)(F)COc1cccc(CSCCc2nnn[n-]2)c1 ZINC000603339693 399748679 /nfs/dbraw/zinc/74/86/79/399748679.db2.gz OSHRHGKKCBWRFW-UHFFFAOYSA-N -1 3 318.324 2.617 20 0 DFADHM FC(F)(F)COc1cccc(CSCCc2nn[n-]n2)c1 ZINC000603339693 399748683 /nfs/dbraw/zinc/74/86/83/399748683.db2.gz OSHRHGKKCBWRFW-UHFFFAOYSA-N -1 3 318.324 2.617 20 0 DFADHM Fc1ccc(CSCCc2nnn[n-]2)cc1Br ZINC000603338905 399749188 /nfs/dbraw/zinc/74/91/88/399749188.db2.gz LMYWBJSUCQVYCH-UHFFFAOYSA-N -1 3 317.187 2.577 20 0 DFADHM Fc1ccc(CSCCc2nn[n-]n2)cc1Br ZINC000603338905 399749192 /nfs/dbraw/zinc/74/91/92/399749192.db2.gz LMYWBJSUCQVYCH-UHFFFAOYSA-N -1 3 317.187 2.577 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C)=C(Br)C2)n1 ZINC000280495314 291971868 /nfs/dbraw/zinc/97/18/68/291971868.db2.gz AXRJFVPFZACGII-SNVBAGLBSA-N -1 3 312.211 2.926 20 0 DFADHM O=C([N-]c1cc2oc(=O)[nH]c2cc1F)c1onc2c1CCCC2 ZINC000617591284 399750910 /nfs/dbraw/zinc/75/09/10/399750910.db2.gz CZQOOSCZYXXVQS-UHFFFAOYSA-N -1 3 317.276 2.792 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC2CC(C)C2)c1 ZINC000621313702 399752223 /nfs/dbraw/zinc/75/22/23/399752223.db2.gz UJLQBMHCEMKVHZ-UHFFFAOYSA-N -1 3 303.811 2.673 20 0 DFADHM C[C@@H](CCCO)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294970120 533561699 /nfs/dbraw/zinc/56/16/99/533561699.db2.gz NXPWLRDETHRSCO-ZDUSSCGKSA-N -1 3 301.386 2.755 20 0 DFADHM Cc1cc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cs1 ZINC000294942939 533616937 /nfs/dbraw/zinc/61/69/37/533616937.db2.gz VDRBBEPABMUNQA-UHFFFAOYSA-N -1 3 316.426 2.720 20 0 DFADHM O=S(=O)([N-][C@@H](C(F)F)C1CCCCC1)c1cccnc1 ZINC000621323655 399754029 /nfs/dbraw/zinc/75/40/29/399754029.db2.gz IWHBFKAZHYNLJZ-GFCCVEGCSA-N -1 3 304.362 2.574 20 0 DFADHM CSc1ccc([O-])c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000612946744 399757708 /nfs/dbraw/zinc/75/77/08/399757708.db2.gz BMZGISHCCFWBAU-NILFDRSVSA-N -1 3 319.426 2.802 20 0 DFADHM COCCNc1ccccc1CNC(=O)c1c(C)cccc1[O-] ZINC000629969861 399774780 /nfs/dbraw/zinc/77/47/80/399774780.db2.gz RGZAEBSGHAMTET-UHFFFAOYSA-N -1 3 314.385 2.689 20 0 DFADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ccnnc1 ZINC000131512690 542637681 /nfs/dbraw/zinc/63/76/81/542637681.db2.gz ANRNQXFMKLGYPU-UHFFFAOYSA-N -1 3 303.391 2.703 20 0 DFADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CC=C(C(F)(F)F)CC1 ZINC000613019399 399780229 /nfs/dbraw/zinc/78/02/29/399780229.db2.gz XPFCBKSPVKCVBI-UHFFFAOYSA-N -1 3 311.263 2.603 20 0 DFADHM Cc1nc(CC(C)C)sc1C(=O)[N-]c1nc2ccccn2n1 ZINC000132896807 542643712 /nfs/dbraw/zinc/64/37/12/542643712.db2.gz INCXWRLCHTVYIM-UHFFFAOYSA-N -1 3 315.402 2.945 20 0 DFADHM O=C(CCCc1ccccc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135553757 542653184 /nfs/dbraw/zinc/65/31/84/542653184.db2.gz UBGRAHOZYHMUBY-UHFFFAOYSA-N -1 3 321.384 2.752 20 0 DFADHM O=C(CCCc1ccccc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135553757 542653188 /nfs/dbraw/zinc/65/31/88/542653188.db2.gz UBGRAHOZYHMUBY-UHFFFAOYSA-N -1 3 321.384 2.752 20 0 DFADHM COc1ccc(NC(=O)c2ccc(NC(C)=O)cc2)c([O-])c1 ZINC000135429636 542653710 /nfs/dbraw/zinc/65/37/10/542653710.db2.gz MEUMKMWIZRTIDG-UHFFFAOYSA-N -1 3 300.314 2.612 20 0 DFADHM COc1ccc(NC(=O)c2ccc(N(C)C)cc2F)c([O-])c1 ZINC000135432899 542653751 /nfs/dbraw/zinc/65/37/51/542653751.db2.gz ZOQGBHKWSTZLJN-UHFFFAOYSA-N -1 3 304.321 2.858 20 0 DFADHM Cc1ccn2ncc(C(=O)Nc3ccc(Cl)cc3[O-])c2n1 ZINC000153480230 542682875 /nfs/dbraw/zinc/68/28/75/542682875.db2.gz PNUOIZBNXXQTBL-UHFFFAOYSA-N -1 3 302.721 2.649 20 0 DFADHM O=C(C[C@H]1OCCc2ccccc21)[N-]OCCC(F)(F)F ZINC000162599949 542738691 /nfs/dbraw/zinc/73/86/91/542738691.db2.gz YIDDMDWKWOEMIZ-GFCCVEGCSA-N -1 3 303.280 2.691 20 0 DFADHM COc1cccc(C(=O)NC2CCC(OC(C)C)CC2)c1[O-] ZINC000162863982 542740654 /nfs/dbraw/zinc/74/06/54/542740654.db2.gz UUYIITLTLAIICD-UHFFFAOYSA-N -1 3 307.390 2.867 20 0 DFADHM COc1cc(C(=O)N[C@H](C)c2c(C)noc2C)cc(OC)c1[O-] ZINC000163366996 542741847 /nfs/dbraw/zinc/74/18/47/542741847.db2.gz CYXLSJGGTHAZDV-MRVPVSSYSA-N -1 3 320.345 2.505 20 0 DFADHM COc1cc(C(=O)N[C@@H](C)c2c(C)noc2C)cc(OC)c1[O-] ZINC000163367115 542742763 /nfs/dbraw/zinc/74/27/63/542742763.db2.gz CYXLSJGGTHAZDV-QMMMGPOBSA-N -1 3 320.345 2.505 20 0 DFADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C)c(F)c2F)cs1 ZINC000624865563 399795479 /nfs/dbraw/zinc/79/54/79/399795479.db2.gz UJYILMGDWKKKEY-UHFFFAOYSA-N -1 3 318.370 2.517 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N(CC1CC1)C(C)C)c2=O ZINC000630026540 399794208 /nfs/dbraw/zinc/79/42/08/399794208.db2.gz HMYLBXSSVYKUOB-UHFFFAOYSA-N -1 3 314.385 2.797 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)cc1 ZINC000165263310 542748725 /nfs/dbraw/zinc/74/87/25/542748725.db2.gz PTFINXAEDSKXCR-UHFFFAOYSA-N -1 3 312.778 2.853 20 0 DFADHM COc1ccccc1/C=C\C(=O)[N-]OCc1ccccc1OC ZINC000492655063 299633886 /nfs/dbraw/zinc/63/38/86/299633886.db2.gz YCQXUBLBUQLXRL-QXMHVHEDSA-N -1 3 313.353 2.965 20 0 DFADHM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000681201224 545609228 /nfs/dbraw/zinc/60/92/28/545609228.db2.gz LWUHASUDKQGFIR-PXAZEXFGSA-N -1 3 316.376 2.953 20 0 DFADHM Cn1cnc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000178254057 542775670 /nfs/dbraw/zinc/77/56/70/542775670.db2.gz INZGSKJHYOZOMX-UHFFFAOYSA-N -1 3 307.353 2.969 20 0 DFADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000624892794 399803629 /nfs/dbraw/zinc/80/36/29/399803629.db2.gz KXBYWMPXQKAXLC-HOCLYGCPSA-N -1 3 311.385 2.981 20 0 DFADHM Cc1cccc(C)c1CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000180604162 542785773 /nfs/dbraw/zinc/78/57/73/542785773.db2.gz XKUSVLYWOHQMFB-UHFFFAOYSA-N -1 3 321.384 2.589 20 0 DFADHM Cc1cccc(C)c1CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000180604162 542785775 /nfs/dbraw/zinc/78/57/75/542785775.db2.gz XKUSVLYWOHQMFB-UHFFFAOYSA-N -1 3 321.384 2.589 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c1F ZINC000181231776 542788737 /nfs/dbraw/zinc/78/87/37/542788737.db2.gz TZVNUTLQNYLIMP-ZDUSSCGKSA-N -1 3 305.374 2.752 20 0 DFADHM O=C(NCc1ncccc1[O-])Nc1ccc(Br)cc1 ZINC000348444216 285546654 /nfs/dbraw/zinc/54/66/54/285546654.db2.gz APNDMVMOIIQVRA-UHFFFAOYSA-N -1 3 322.162 2.871 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc2nn[n-]c21 ZINC000182694945 542795007 /nfs/dbraw/zinc/79/50/07/542795007.db2.gz MYRGHQQZHUXHNM-RKDXNWHRSA-N -1 3 312.295 2.809 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc2[n-]nnc21 ZINC000182694945 542795009 /nfs/dbraw/zinc/79/50/09/542795009.db2.gz MYRGHQQZHUXHNM-RKDXNWHRSA-N -1 3 312.295 2.809 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc2n[n-]nc21 ZINC000182694945 542795012 /nfs/dbraw/zinc/79/50/12/542795012.db2.gz MYRGHQQZHUXHNM-RKDXNWHRSA-N -1 3 312.295 2.809 20 0 DFADHM CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc([O-])cc(F)c1 ZINC000186247416 542814234 /nfs/dbraw/zinc/81/42/34/542814234.db2.gz GWZJIGOURIHSMA-OAQYLSRUSA-N -1 3 307.390 2.901 20 0 DFADHM CCOc1cnc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cn1 ZINC000188260485 542823001 /nfs/dbraw/zinc/82/30/01/542823001.db2.gz LIJIFJVRCIDVHT-NSHDSACASA-N -1 3 313.357 2.735 20 0 DFADHM Cc1ccc(F)c(NNC(=O)/C(C#N)=C\c2ccc([O-])cc2)c1 ZINC000194794807 542862217 /nfs/dbraw/zinc/86/22/17/542862217.db2.gz FIBUKBPCRJUHFP-LCYFTJDESA-N -1 3 311.316 2.890 20 0 DFADHM O=c1c2c([n-]n1Cc1ccccc1)CN(Cc1ccccc1)CC2 ZINC000199044399 542867784 /nfs/dbraw/zinc/86/77/84/542867784.db2.gz RCVFUUMZXLVLIM-SFHVURJKSA-N -1 3 319.408 2.907 20 0 DFADHM CCO[C@H](C(=O)Nc1cc(Br)ccc1[O-])C1CC1 ZINC000626277678 399814495 /nfs/dbraw/zinc/81/44/95/399814495.db2.gz KLZJODNABXHGRN-LBPRGKRZSA-N -1 3 314.179 2.908 20 0 DFADHM Cc1cc([C@@H](NC(=O)c2cc(=O)[n-]cn2)C2CC2)ccc1F ZINC000626289058 399818354 /nfs/dbraw/zinc/81/83/54/399818354.db2.gz AMKSSOUSHJBJSC-HNNXBMFYSA-N -1 3 301.321 2.511 20 0 DFADHM CSc1ccc([O-])c(C(=O)N[C@H](CO)C2CCCCC2)c1 ZINC000613220539 399823609 /nfs/dbraw/zinc/82/36/09/399823609.db2.gz YFNPUXVRRMBRDT-CQSZACIVSA-N -1 3 309.431 2.785 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)OC2CCCCCC2)[n-]1 ZINC000617870085 399823956 /nfs/dbraw/zinc/82/39/56/399823956.db2.gz DHPFOSIFHZCVQW-LLVKDONJSA-N -1 3 323.393 2.653 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)OC2CCCCCC2)c[n-]1 ZINC000617870085 399823961 /nfs/dbraw/zinc/82/39/61/399823961.db2.gz DHPFOSIFHZCVQW-LLVKDONJSA-N -1 3 323.393 2.653 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000626338725 399829354 /nfs/dbraw/zinc/82/93/54/399829354.db2.gz JHKOASNDYOBLRC-HNNXBMFYSA-N -1 3 324.380 2.801 20 0 DFADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](n2cncn2)C1 ZINC000280785279 542989071 /nfs/dbraw/zinc/98/90/71/542989071.db2.gz FEGMWHISRHSULF-OAHLLOKOSA-N -1 3 322.368 2.614 20 0 DFADHM COc1cccc(CNCCc2cccc(C(=O)[O-])c2)c1OC ZINC000276993713 542980095 /nfs/dbraw/zinc/98/00/95/542980095.db2.gz KHNANHKHTFTXIQ-UHFFFAOYSA-N -1 3 315.369 2.734 20 0 DFADHM O=C(NCCOc1ccc(F)cc1)NCc1ccc([O-])c(F)c1 ZINC000350223728 146638994 /nfs/dbraw/zinc/63/89/94/146638994.db2.gz MOIJDQDESFEBDE-UHFFFAOYSA-N -1 3 322.311 2.549 20 0 DFADHM CCn1nc(CN[C@@H](C)[C@@H](C(=O)[O-])C(C)C)c2ccccc21 ZINC000424617615 296517312 /nfs/dbraw/zinc/51/73/12/296517312.db2.gz IIGPXAMWXNQWTL-LRDDRELGSA-N -1 3 303.406 2.891 20 0 DFADHM O=C([O-])[C@@H]1CC[C@H](NCc2ccc(F)cc2Br)C1 ZINC000424628894 296518133 /nfs/dbraw/zinc/51/81/33/296518133.db2.gz XQRIWGAGOHMRFL-KCJUWKMLSA-N -1 3 316.170 2.931 20 0 DFADHM CSCc1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000348782765 285671002 /nfs/dbraw/zinc/67/10/02/285671002.db2.gz SPWQQUQQEDLXGQ-UHFFFAOYSA-N -1 3 303.387 2.972 20 0 DFADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@@H](CCO)C1 ZINC000318463886 543077254 /nfs/dbraw/zinc/07/72/54/543077254.db2.gz IMTVLSZLRRDZMO-LBPRGKRZSA-N -1 3 300.358 2.532 20 0 DFADHM O=C([O-])CCCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000319954272 543080958 /nfs/dbraw/zinc/08/09/58/543080958.db2.gz HQEHFURZQJNPJU-MRXNPFEDSA-N -1 3 318.417 2.585 20 0 DFADHM COc1ccccc1C[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000321314320 543084961 /nfs/dbraw/zinc/08/49/61/543084961.db2.gz GZVDFTQSXPUKME-CYBMUJFWSA-N -1 3 314.385 2.851 20 0 DFADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000173519028 292066654 /nfs/dbraw/zinc/06/66/54/292066654.db2.gz UNKKHQIGCDUKAU-SECBINFHSA-N -1 3 323.817 2.961 20 0 DFADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccn(-c2ccccc2)n1 ZINC000322505962 543089310 /nfs/dbraw/zinc/08/93/10/543089310.db2.gz HMDVBUOHWQJXIZ-XKQJLSEDSA-N -1 3 311.385 2.557 20 0 DFADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccn(-c2ccccc2)n1 ZINC000322505964 543089581 /nfs/dbraw/zinc/08/95/81/543089581.db2.gz HMDVBUOHWQJXIZ-XYPHTWIQSA-N -1 3 311.385 2.557 20 0 DFADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1cccc(-n2cccn2)c1 ZINC000348870993 285707763 /nfs/dbraw/zinc/70/77/63/285707763.db2.gz HMWZKIRHQQFHMT-SNVBAGLBSA-N -1 3 314.370 2.525 20 0 DFADHM O=C(Nc1ncc(C2CCCCC2)s1)c1cc(=O)[n-]cn1 ZINC000626417517 399847908 /nfs/dbraw/zinc/84/79/08/399847908.db2.gz VVYIZEJWWNANND-UHFFFAOYSA-N -1 3 304.375 2.939 20 0 DFADHM CCc1cnc(C[N-]S(=O)(=O)CC(C)(C)C(F)(F)CC)o1 ZINC000625129548 399849694 /nfs/dbraw/zinc/84/96/94/399849694.db2.gz WBDBADRBUOXZHW-UHFFFAOYSA-N -1 3 324.393 2.728 20 0 DFADHM CCCCOc1cccc(CNC(=O)c2csc(=O)[n-]2)c1 ZINC000348934501 285725658 /nfs/dbraw/zinc/72/56/58/285725658.db2.gz QEHFCXNWWKDUGI-UHFFFAOYSA-N -1 3 306.387 2.958 20 0 DFADHM O=S(=O)([N-]CCC1CC1)c1cccc(Br)c1F ZINC000344382558 543172008 /nfs/dbraw/zinc/17/20/08/543172008.db2.gz AAGACPYGTOEJBR-UHFFFAOYSA-N -1 3 322.199 2.667 20 0 DFADHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(C)c(F)c1F)OC ZINC000625236138 399865401 /nfs/dbraw/zinc/86/54/01/399865401.db2.gz SSYORXBFRLTLDV-KOLCDFICSA-N -1 3 321.389 2.613 20 0 DFADHM O=C(c1cc(=O)[n-]cn1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000626514265 399865612 /nfs/dbraw/zinc/86/56/12/399865612.db2.gz SYSUCTOQZNTWQP-BFYDXBDKSA-N -1 3 323.396 2.981 20 0 DFADHM 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COC(=O)c1cc(C(=O)Nc2nc(C3CCC3)cs2)c[n-]1 ZINC000351029083 286105903 /nfs/dbraw/zinc/10/59/03/286105903.db2.gz VEMPEGLHTQNBIX-UHFFFAOYSA-N -1 3 305.359 2.778 20 0 DFADHM O=C(N[C@@H](c1ccccc1)C(F)F)c1cc(F)cc2nn[n-]c21 ZINC000351508440 286139108 /nfs/dbraw/zinc/13/91/08/286139108.db2.gz UFEQBMKBHNNGTL-LBPRGKRZSA-N -1 3 320.274 2.833 20 0 DFADHM O=C(N[C@@H](c1ccccc1)C(F)F)c1cc(F)cc2[n-]nnc21 ZINC000351508440 286139110 /nfs/dbraw/zinc/13/91/10/286139110.db2.gz UFEQBMKBHNNGTL-LBPRGKRZSA-N -1 3 320.274 2.833 20 0 DFADHM O=C(N[C@@H](c1ccccc1)C(F)F)c1cc(F)cc2n[n-]nc21 ZINC000351508440 286139112 /nfs/dbraw/zinc/13/91/12/286139112.db2.gz UFEQBMKBHNNGTL-LBPRGKRZSA-N -1 3 320.274 2.833 20 0 DFADHM O=S(=O)([N-]c1ncccc1Cl)c1ccc2c(c1)CCCO2 ZINC000351509090 286139278 /nfs/dbraw/zinc/13/92/78/286139278.db2.gz GYRRWFWMMKJLJH-UHFFFAOYSA-N -1 3 324.789 2.861 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC([C@H]3CCCOC3)CC2)n1 ZINC000370040635 149874792 /nfs/dbraw/zinc/87/47/92/149874792.db2.gz 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/nfs/dbraw/zinc/17/94/22/150179422.db2.gz XRJOOIUSLAMHAW-LLVKDONJSA-N -1 3 319.792 2.577 20 0 DFADHM CSc1ccc(C(=O)N2CCCO[C@H]3CCC[C@H]32)c([O-])c1 ZINC000373057781 150223954 /nfs/dbraw/zinc/22/39/54/150223954.db2.gz LMRQTVCSIPPLTJ-HIFRSBDPSA-N -1 3 307.415 2.898 20 0 DFADHM O=C(NCc1nc(-c2cccc(F)c2)no1)c1ccccc1[O-] ZINC000373238014 150252253 /nfs/dbraw/zinc/25/22/53/150252253.db2.gz WVMATDUYCDZPAB-UHFFFAOYSA-N -1 3 313.288 2.511 20 0 DFADHM O=C([O-])c1ccccc1OCCN1CCC(OCC2CC2)CC1 ZINC000373233206 150252332 /nfs/dbraw/zinc/25/23/32/150252332.db2.gz GTRHUKINPZGNRK-UHFFFAOYSA-N -1 3 319.401 2.655 20 0 DFADHM CSCCON=C([O-])Nc1cccc(-n2nccc2C)c1 ZINC000374024412 150294627 /nfs/dbraw/zinc/29/46/27/150294627.db2.gz FMYDDWAWMMMTDX-UHFFFAOYSA-N -1 3 306.391 2.597 20 0 DFADHM CSCCO[N-]C(=O)Nc1cccc(-n2nccc2C)c1 ZINC000374024412 150294633 /nfs/dbraw/zinc/29/46/33/150294633.db2.gz FMYDDWAWMMMTDX-UHFFFAOYSA-N -1 3 306.391 2.597 20 0 DFADHM CCN1CCc2nc([N-]C(=O)c3cc(C4CC4)no3)sc2C1 ZINC000374087799 150304291 /nfs/dbraw/zinc/30/42/91/150304291.db2.gz SRIJEMVYLLTREI-UHFFFAOYSA-N -1 3 318.402 2.639 20 0 DFADHM COc1cccc(C(=O)N2CCCC[C@H]2c2ccnn2C)c1[O-] ZINC000374187997 150319091 /nfs/dbraw/zinc/31/90/91/150319091.db2.gz MZOWRUKYQBIPFA-AWEZNQCLSA-N -1 3 315.373 2.502 20 0 DFADHM COc1cccc(C(=O)Nc2ccc(-c3cncnc3)cn2)c1[O-] ZINC000374269879 150333968 /nfs/dbraw/zinc/33/39/68/150333968.db2.gz CFBXMLSFULDKGF-UHFFFAOYSA-N -1 3 322.324 2.505 20 0 DFADHM Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000374469602 150371906 /nfs/dbraw/zinc/37/19/06/150371906.db2.gz XYOJWOAIZIZUCY-SFHVURJKSA-N -1 3 324.359 2.977 20 0 DFADHM C[C@]1(NC(=O)Cc2ccc([O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000374971770 150377563 /nfs/dbraw/zinc/37/75/63/150377563.db2.gz KILQKIOWLGYGGU-CVEARBPZSA-N -1 3 309.793 2.662 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000375062829 150395315 /nfs/dbraw/zinc/39/53/15/150395315.db2.gz CIFNSMKEPVFBST-GOSISDBHSA-N -1 3 315.344 2.573 20 0 DFADHM CN(C(=O)Cc1ccc(Br)cc1[O-])[C@@H]1CC1(C)C ZINC000351660748 286185126 /nfs/dbraw/zinc/18/51/26/286185126.db2.gz FUHAFHIOZNPPMC-GFCCVEGCSA-N -1 3 312.207 2.954 20 0 DFADHM COc1cc(C(=O)N(C)[C@H](C)c2ccncc2)cc(OC)c1[O-] ZINC000179102367 286192619 /nfs/dbraw/zinc/19/26/19/286192619.db2.gz JDOJCJGZEVDPGI-LLVKDONJSA-N -1 3 316.357 2.638 20 0 DFADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1 ZINC000376321095 150563116 /nfs/dbraw/zinc/56/31/16/150563116.db2.gz JHKWVXJZXVKMIR-MEBBXXQBSA-N -1 3 307.346 2.626 20 0 DFADHM CO[C@@H](C(=O)N1CCCc2cccc([O-])c21)c1ccc(O)cc1 ZINC000426934403 296644196 /nfs/dbraw/zinc/64/41/96/296644196.db2.gz YAPCJNGBZPJEIP-QGZVFWFLSA-N -1 3 313.353 2.765 20 0 DFADHM COCc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000351827555 286227716 /nfs/dbraw/zinc/22/77/16/286227716.db2.gz OHQBEOPBWMCOKP-UHFFFAOYSA-N -1 3 313.325 2.912 20 0 DFADHM CN(C)C(=O)c1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000351856358 286233331 /nfs/dbraw/zinc/23/33/31/286233331.db2.gz RJDTWGSTSFHPRY-UHFFFAOYSA-N -1 3 306.312 2.984 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000451175349 297759947 /nfs/dbraw/zinc/75/99/47/297759947.db2.gz JNLOLEUJPHQRBK-STQMWFEESA-N -1 3 316.492 2.598 20 0 DFADHM Cc1ccsc1S(=O)(=O)[N-][C@@H](c1nccc(C)n1)C1CC1 ZINC000351920207 286244638 /nfs/dbraw/zinc/24/46/38/286244638.db2.gz YBHZCFJMKMOPNH-GFCCVEGCSA-N -1 3 323.443 2.585 20 0 DFADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccoc2)sc1C ZINC000351921577 286244900 /nfs/dbraw/zinc/24/49/00/286244900.db2.gz RLLDLZRSPMGMLL-UHFFFAOYSA-N -1 3 300.405 2.567 20 0 DFADHM CC(C)c1nc([C@@H]2COCCN2Cc2cc([O-])cc(F)c2)no1 ZINC000351982329 286259994 /nfs/dbraw/zinc/25/99/94/286259994.db2.gz OETNWCCLPCZANE-AWEZNQCLSA-N -1 3 321.352 2.611 20 0 DFADHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc([O-])cc(F)c1 ZINC000352004286 286267298 /nfs/dbraw/zinc/26/72/98/286267298.db2.gz VRKQMKYKIHKHNH-HZPDHXFCSA-N -1 3 308.397 2.753 20 0 DFADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)cc2-n2cncn2)n1 ZINC000352024923 286272745 /nfs/dbraw/zinc/27/27/45/286272745.db2.gz ACZOVARTJSLSQE-HYXAFXHYSA-N -1 3 313.748 2.895 20 0 DFADHM O=c1cc(C=Cc2ccc3c(c2)CCO3)nc(-c2ccncc2)[n-]1 ZINC000352025947 286272975 /nfs/dbraw/zinc/27/29/75/286272975.db2.gz HCNGUIDFXAZRFD-HNQUOIGGSA-N -1 3 317.348 2.937 20 0 DFADHM O=c1cc(C=Cc2cccc3nccn32)nc(-c2ccncc2)[n-]1 ZINC000352027883 286273505 /nfs/dbraw/zinc/27/35/05/286273505.db2.gz RALATDBPMQQJIY-PLNGDYQASA-N -1 3 315.336 2.650 20 0 DFADHM COc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)ccc1[O-] ZINC000352044767 286278492 /nfs/dbraw/zinc/27/84/92/286278492.db2.gz KNSRXKZMWAUSJZ-VIFPVBQESA-N -1 3 306.749 2.940 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1csc(=O)[nH]1 ZINC000352056394 286281528 /nfs/dbraw/zinc/28/15/28/286281528.db2.gz CCBITEWKRRZPOI-UHFFFAOYSA-N -1 3 320.248 2.705 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cccc3ncccc32)o1 ZINC000352085335 286288447 /nfs/dbraw/zinc/28/84/47/286288447.db2.gz ZMJQAJLBTBGGIJ-NSHDSACASA-N -1 3 317.370 2.571 20 0 DFADHM O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1nc[n-]n1 ZINC000427783084 296667691 /nfs/dbraw/zinc/66/76/91/296667691.db2.gz LVEPHGRHIPGYHK-UHFFFAOYSA-N -1 3 317.255 2.523 20 0 DFADHM Cc1cc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)[n-]c(=O)n1 ZINC000352118944 286296869 /nfs/dbraw/zinc/29/68/69/286296869.db2.gz WQBHOJQTDFNWJT-UHFFFAOYSA-N -1 3 317.776 2.953 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(C(F)F)CC1 ZINC000352130362 286299718 /nfs/dbraw/zinc/29/97/18/286299718.db2.gz YSJHQBDAIHOPOD-UHFFFAOYSA-N -1 3 313.348 2.563 20 0 DFADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccoc1 ZINC000352143538 286303530 /nfs/dbraw/zinc/30/35/30/286303530.db2.gz REQSCCVDYYDLQE-UHFFFAOYSA-N -1 3 307.327 2.513 20 0 DFADHM O=S(=O)([N-]C[C@@H](c1ccccc1)C(F)(F)F)c1ccoc1 ZINC000352151253 286305512 /nfs/dbraw/zinc/30/55/12/286305512.db2.gz PEQBNXCQKRMMBF-LBPRGKRZSA-N -1 3 319.304 2.904 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)[n-]c(=O)n1 ZINC000352159246 286308319 /nfs/dbraw/zinc/30/83/19/286308319.db2.gz UGNNVAMWEOLCIQ-MRVPVSSYSA-N 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/nfs/dbraw/zinc/34/42/67/286344267.db2.gz IPHVADDQIGEEAE-LLVKDONJSA-N -1 3 324.340 2.637 20 0 DFADHM CC(C)c1noc(CCCNCc2c(F)ccc([O-])c2F)n1 ZINC000352383917 286359653 /nfs/dbraw/zinc/35/96/53/286359653.db2.gz PHMVLLILKXVGMJ-UHFFFAOYSA-N -1 3 311.332 2.899 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@](C)(F)C1)c2=O ZINC000295460298 286385677 /nfs/dbraw/zinc/38/56/77/286385677.db2.gz HCWFZPGUGRRNHU-KRWDZBQOSA-N -1 3 318.348 2.913 20 0 DFADHM CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ncccc1[O-] ZINC000352515731 286394766 /nfs/dbraw/zinc/39/47/66/286394766.db2.gz IFDQVRXEBNDIAA-INIZCTEOSA-N -1 3 300.358 2.569 20 0 DFADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000352516568 286394997 /nfs/dbraw/zinc/39/49/97/286394997.db2.gz LSXZFLPAHNWTBU-LLVKDONJSA-N -1 3 320.776 2.833 20 0 DFADHM COc1ccc([C@H](C)CC(=O)NCc2ncccc2[O-])cc1 ZINC000352517352 286395082 /nfs/dbraw/zinc/39/50/82/286395082.db2.gz PJNVPRICZWJNPL-GFCCVEGCSA-N -1 3 300.358 2.606 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@H]1CCOc2ccc(Cl)cc21 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544059437 /nfs/dbraw/zinc/05/94/37/544059437.db2.gz IIRHNIJGHPIEIN-HZGVNTEJSA-N -1 3 324.627 2.789 20 0 DFADHM CSc1ccncc1[N-]C(=O)c1cnc(OCC2CC2)cn1 ZINC000671225022 544062118 /nfs/dbraw/zinc/06/21/18/544062118.db2.gz KBUMMCAENNZGSC-UHFFFAOYSA-N -1 3 316.386 2.635 20 0 DFADHM Cc1ncc(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)c(=O)[n-]1 ZINC000671793994 544112432 /nfs/dbraw/zinc/11/24/32/544112432.db2.gz JYFLDMBOEYFRHN-AEGPPILISA-N -1 3 303.406 2.713 20 0 DFADHM CCOc1nc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)co1 ZINC000681356714 545631791 /nfs/dbraw/zinc/63/17/91/545631791.db2.gz JHKXPPIWBAZQLZ-JTQLQIEISA-N -1 3 302.330 2.933 20 0 DFADHM Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)c([O-])c1C ZINC000672183332 544126544 /nfs/dbraw/zinc/12/65/44/544126544.db2.gz RQYPVIIRUQVYIX-JOYOIKCWSA-N -1 3 317.307 2.801 20 0 DFADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442745818 297203711 /nfs/dbraw/zinc/20/37/11/297203711.db2.gz KSVBVHRHWLOVRD-DTWKUNHWSA-N -1 3 310.341 2.813 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCC1 ZINC000672392671 544136232 /nfs/dbraw/zinc/13/62/32/544136232.db2.gz RPCAIPFOGBMORZ-MRVPVSSYSA-N -1 3 308.325 2.567 20 0 DFADHM CSc1cc2c(cc1[N-]C(=O)c1coc(C)n1)OCCO2 ZINC000673584926 544185379 /nfs/dbraw/zinc/18/53/79/544185379.db2.gz JYDSKXLEAFFSHB-UHFFFAOYSA-N -1 3 306.343 2.728 20 0 DFADHM COc1cccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000673586597 544185432 /nfs/dbraw/zinc/18/54/32/544185432.db2.gz PSSRDMGEHJETPE-UHFFFAOYSA-N -1 3 305.346 2.551 20 0 DFADHM Cc1cc(F)cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000673586212 544185531 /nfs/dbraw/zinc/18/55/31/544185531.db2.gz DVEWLTPLQMJBLI-UHFFFAOYSA-N -1 3 307.337 2.990 20 0 DFADHM O=C(NC[C@H](CO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000673372489 544176701 /nfs/dbraw/zinc/17/67/01/544176701.db2.gz WKLWSCJIZPUKOV-GFCCVEGCSA-N -1 3 305.761 2.552 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C3CC3)C2)c1 ZINC000290956242 222029340 /nfs/dbraw/zinc/02/93/40/222029340.db2.gz RCGJJMCZRHDSEA-ZDUSSCGKSA-N -1 3 302.374 2.613 20 0 DFADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(F)c2)[C@@H]1[C@@H]1CCCO1 ZINC000291110531 222143517 /nfs/dbraw/zinc/14/35/17/222143517.db2.gz UXLVMACYPGXKIC-LSDHHAIUSA-N -1 3 322.380 2.630 20 0 DFADHM [O-]c1ccc(Br)c(CN2CC[C@H](n3cccn3)C2)c1 ZINC000291194276 222212036 /nfs/dbraw/zinc/21/20/36/222212036.db2.gz GWHGJJMPMSUDFU-LBPRGKRZSA-N -1 3 322.206 2.798 20 0 DFADHM Cc1cnn([C@H]2CCN(C(=O)c3cc([O-])ccc3Cl)C2)c1 ZINC000291297526 222295076 /nfs/dbraw/zinc/29/50/76/222295076.db2.gz PQBWGGLJORQKMJ-NSHDSACASA-N -1 3 305.765 2.638 20 0 DFADHM COCCC1(C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000291366561 222344548 /nfs/dbraw/zinc/34/45/48/222344548.db2.gz YUWGKCJWUMHLBC-UHFFFAOYSA-N -1 3 303.402 2.770 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)Cc2ccsc2)c[nH]1 ZINC000673820696 544200779 /nfs/dbraw/zinc/20/07/79/544200779.db2.gz ZDEYTUKDUYUGFL-SNVBAGLBSA-N -1 3 313.448 2.504 20 0 DFADHM O=C([N-][C@@H](CO)C1CCCC1)C(F)(F)c1c(F)cccc1F ZINC000291400980 222366059 /nfs/dbraw/zinc/36/60/59/222366059.db2.gz YFAXKSRGFAGRIQ-LBPRGKRZSA-N -1 3 319.298 2.724 20 0 DFADHM CC(C)O[C@@H](Cn1cc(Cl)c(=O)[n-]c1=O)c1ccccc1 ZINC000291560105 222469156 /nfs/dbraw/zinc/46/91/56/222469156.db2.gz BZGPAPDVYNNHJP-ZDUSSCGKSA-N -1 3 308.765 2.769 20 0 DFADHM C[C@@H](OCC1CC1)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000673936626 544209271 /nfs/dbraw/zinc/20/92/71/544209271.db2.gz KPGXLVNQXZCSAC-MRVPVSSYSA-N -1 3 322.315 2.504 20 0 DFADHM C[C@@H](OCC1CC1)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000673936626 544209273 /nfs/dbraw/zinc/20/92/73/544209273.db2.gz KPGXLVNQXZCSAC-MRVPVSSYSA-N -1 3 322.315 2.504 20 0 DFADHM C[C@@H](OCC1CC1)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000673936626 544209274 /nfs/dbraw/zinc/20/92/74/544209274.db2.gz KPGXLVNQXZCSAC-MRVPVSSYSA-N -1 3 322.315 2.504 20 0 DFADHM COCc1nc(S[C@@H]2CCCc3ccccc3C2=O)n[n-]1 ZINC000675548175 544318449 /nfs/dbraw/zinc/31/84/49/544318449.db2.gz HVSVZBCODLBXRO-GFCCVEGCSA-N -1 3 303.387 2.631 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCC(OCCCO)CC2)c([O-])c1 ZINC000675279612 544298223 /nfs/dbraw/zinc/29/82/23/544298223.db2.gz IMWQMQGOUKLFKX-UHFFFAOYSA-N -1 3 321.417 2.519 20 0 DFADHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000675329349 544302979 /nfs/dbraw/zinc/30/29/79/544302979.db2.gz KRMRRJIETQEQLT-ZJUUUORDSA-N -1 3 321.801 2.573 20 0 DFADHM O=c1[n-]c(COCC(F)(F)C(F)F)nc2cccc(F)c12 ZINC000682843825 545925184 /nfs/dbraw/zinc/92/51/84/545925184.db2.gz ATVVCWADQSYGGS-UHFFFAOYSA-N -1 3 308.206 2.892 20 0 DFADHM C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000676232826 544365060 /nfs/dbraw/zinc/36/50/60/544365060.db2.gz HGOZGMBDCJZCIJ-LJIZCISZSA-N -1 3 324.465 2.503 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc3C2)s1 ZINC000677240445 544457060 /nfs/dbraw/zinc/45/70/60/544457060.db2.gz BQOVAOLQENYZSU-GFCCVEGCSA-N -1 3 322.455 2.535 20 0 DFADHM CC(C)(C[N-]S(=O)(=O)c1cncc(Cl)c1)c1ccccc1 ZINC000677239745 544457105 /nfs/dbraw/zinc/45/71/05/544457105.db2.gz 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/nfs/dbraw/zinc/54/27/99/544542799.db2.gz ISXHSFUPYCLPON-UHFFFAOYSA-N -1 3 317.251 2.973 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c([O-])c1 ZINC000677946348 544570440 /nfs/dbraw/zinc/57/04/40/544570440.db2.gz RZAILFOPLLFBAX-SNVBAGLBSA-N -1 3 311.341 2.774 20 0 DFADHM OC[C@H](Cc1ccc(F)cc1)[N-]c1nc(-c2ccccc2)no1 ZINC000678009438 544580925 /nfs/dbraw/zinc/58/09/25/544580925.db2.gz MTZURQAAYBPDGT-HNNXBMFYSA-N -1 3 313.332 2.891 20 0 DFADHM CCCn1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)nn1 ZINC000678002218 544578880 /nfs/dbraw/zinc/57/88/80/544578880.db2.gz MOLNXIBAGYCFLX-UHFFFAOYSA-N -1 3 320.403 2.520 20 0 DFADHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c([O-])c1C ZINC000678313950 544650272 /nfs/dbraw/zinc/65/02/72/544650272.db2.gz KRCCATLAIFYTDP-SKDRFNHKSA-N -1 3 317.307 2.801 20 0 DFADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2cn(C)nc2C)c1[O-] ZINC000678316729 544651163 /nfs/dbraw/zinc/65/11/63/544651163.db2.gz NZBVISAVACNFIG-MRXNPFEDSA-N -1 3 313.401 2.974 20 0 DFADHM Cc1n[nH]c2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc12 ZINC000678328925 544652043 /nfs/dbraw/zinc/65/20/43/544652043.db2.gz BKBRNQPIQBCATB-UHFFFAOYSA-N -1 3 318.336 2.965 20 0 DFADHM O=c1[nH]c(Cc2nc(-c3ccccc3)no2)nc2ccc([O-])cc21 ZINC000679270239 544819236 /nfs/dbraw/zinc/81/92/36/544819236.db2.gz UKYOUQFXFIKWBM-UHFFFAOYSA-N -1 3 320.308 2.682 20 0 DFADHM O=C(c1ccc2[nH]c(=O)oc2c1)N1CCCc2cccc([O-])c21 ZINC000679318969 544832273 /nfs/dbraw/zinc/83/22/73/544832273.db2.gz PASGHVUPBRSOMC-UHFFFAOYSA-N -1 3 310.309 2.832 20 0 DFADHM Cc1cc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)ccc1[O-] ZINC000679409233 544850972 /nfs/dbraw/zinc/85/09/72/544850972.db2.gz AEXRUSVABWKFTQ-UHFFFAOYSA-N -1 3 307.353 2.817 20 0 DFADHM COc1ccc(CN(C)C(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000679405502 544851494 /nfs/dbraw/zinc/85/14/94/544851494.db2.gz AEJMANFPVKDQFT-UHFFFAOYSA-N -1 3 315.369 2.990 20 0 DFADHM CC(C)CO[N-]C(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494008177 299853473 /nfs/dbraw/zinc/85/34/73/299853473.db2.gz GFXQIMXQGPTNHM-ZDUSSCGKSA-N -1 3 314.426 2.727 20 0 DFADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccnc(C)c1Cl ZINC000679648695 544890071 /nfs/dbraw/zinc/89/00/71/544890071.db2.gz YFRNOXTZSFBLRY-UHFFFAOYSA-N -1 3 314.769 2.714 20 0 DFADHM Cc1ccc(CNC(=O)c2ccccc2[O-])c(N2CCCC2)n1 ZINC000679660457 544892634 /nfs/dbraw/zinc/89/26/34/544892634.db2.gz OAAMRMCHJSEWJX-UHFFFAOYSA-N -1 3 311.385 2.626 20 0 DFADHM Cc1ccc(-c2cc(NC(=O)c3cccc4nn[n-]c43)n[nH]2)s1 ZINC000679641646 544887399 /nfs/dbraw/zinc/88/73/99/544887399.db2.gz CCFMIHLNXBEHKU-UHFFFAOYSA-N -1 3 324.369 2.970 20 0 DFADHM Cc1ccc(-c2cc(NC(=O)c3cccc4[n-]nnc43)n[nH]2)s1 ZINC000679641646 544887404 /nfs/dbraw/zinc/88/74/04/544887404.db2.gz CCFMIHLNXBEHKU-UHFFFAOYSA-N -1 3 324.369 2.970 20 0 DFADHM Cc1ccc(-c2cc(NC(=O)c3cccc4n[n-]nc43)n[nH]2)s1 ZINC000679641646 544887406 /nfs/dbraw/zinc/88/74/06/544887406.db2.gz CCFMIHLNXBEHKU-UHFFFAOYSA-N -1 3 324.369 2.970 20 0 DFADHM C[C@H]1C[C@@H]([N-]c2noc(C(C)(C)C)n2)C(=O)N1c1ccccc1 ZINC000302140018 230118239 /nfs/dbraw/zinc/11/82/39/230118239.db2.gz OLRJMGMRUAYBIB-WCQYABFASA-N -1 3 314.389 2.973 20 0 DFADHM Cc1ccc(N2CC[C@H]([N-]c3noc(C(C)(C)C)n3)C2=O)cc1 ZINC000302165107 230137420 /nfs/dbraw/zinc/13/74/20/230137420.db2.gz ZSTDZDBTDLTCGZ-ZDUSSCGKSA-N -1 3 314.389 2.893 20 0 DFADHM CCc1cc2c([n-]c(CC(=O)NC3CCCCC3)nc2=O)s1 ZINC000055494651 425893954 /nfs/dbraw/zinc/89/39/54/425893954.db2.gz JSVZIVICEXOLGJ-UHFFFAOYSA-N -1 3 319.430 2.538 20 0 DFADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000055547870 425893996 /nfs/dbraw/zinc/89/39/96/425893996.db2.gz WLPKSBUJKHFZNI-UHFFFAOYSA-N -1 3 307.371 2.813 20 0 DFADHM COc1ccc(C(=O)NCCOc2ccccc2C)c([O-])c1 ZINC000055954165 425895140 /nfs/dbraw/zinc/89/51/40/425895140.db2.gz MASODXHOHGYALK-UHFFFAOYSA-N -1 3 301.342 2.518 20 0 DFADHM O=C([N-]c1ncc(Cc2cccc(F)c2)s1)c1csnn1 ZINC000058512606 425898155 /nfs/dbraw/zinc/89/81/55/425898155.db2.gz RBGLHTWGGIFDEV-UHFFFAOYSA-N -1 3 320.374 2.977 20 0 DFADHM CC(C)CN(CC(C)C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065804740 425903171 /nfs/dbraw/zinc/90/31/71/425903171.db2.gz PFEBDVXZBZGFSO-UHFFFAOYSA-N -1 3 317.389 2.716 20 0 DFADHM CCc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000065770640 425903346 /nfs/dbraw/zinc/90/33/46/425903346.db2.gz DJHWTWWFHDNDJQ-UHFFFAOYSA-N -1 3 309.325 2.777 20 0 DFADHM C[C@H](CC(=O)NCCCNC(=O)c1cccc([O-])c1)C(C)(C)C ZINC000066622776 425905577 /nfs/dbraw/zinc/90/55/77/425905577.db2.gz VBCFHVYIDKGNAE-CYBMUJFWSA-N -1 3 320.433 2.701 20 0 DFADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C)ccc2F)n1 ZINC000067951196 425915247 /nfs/dbraw/zinc/91/52/47/425915247.db2.gz KOJYCMDIKRNQKO-SNVBAGLBSA-N -1 3 314.407 2.939 20 0 DFADHM CC(C)c1nc(CC[N-]S(=O)(=O)c2cccs2)cs1 ZINC000102413109 425920749 /nfs/dbraw/zinc/92/07/49/425920749.db2.gz UKKPVOJNVPPVLL-UHFFFAOYSA-N -1 3 316.473 2.849 20 0 DFADHM O=C([C@H]1CC(=O)Nc2ccccc21)N1CCCc2cccc([O-])c21 ZINC000155610934 425923300 /nfs/dbraw/zinc/92/33/00/425923300.db2.gz LVXWGZQTCSNYHL-AWEZNQCLSA-N -1 3 322.364 2.797 20 0 DFADHM CCC[C@H]1SCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000124563029 425926734 /nfs/dbraw/zinc/92/67/34/425926734.db2.gz SJQGJDVVRZINPY-CQSZACIVSA-N -1 3 302.399 2.843 20 0 DFADHM Cc1ccc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c([O-])c1 ZINC000069022684 425926726 /nfs/dbraw/zinc/92/67/26/425926726.db2.gz GEOKMUZWGCOZET-CYBMUJFWSA-N -1 3 313.353 2.613 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000124607972 425928621 /nfs/dbraw/zinc/92/86/21/425928621.db2.gz RUMVANOXBJWQOK-WDEREUQCSA-N -1 3 303.328 2.955 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2CCc3cc(F)ccc32)c1[O-] ZINC000097676412 267478390 /nfs/dbraw/zinc/47/83/90/267478390.db2.gz SVDKMCBJMMHFLR-CQSZACIVSA-N -1 3 301.317 2.957 20 0 DFADHM Cc1cc(=O)n(C)cc1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000176189011 267610521 /nfs/dbraw/zinc/61/05/21/267610521.db2.gz QAELEYKMIHEFMA-UHFFFAOYSA-N -1 3 314.238 2.502 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCc1cccc2cccnc21 ZINC000179461082 267697328 /nfs/dbraw/zinc/69/73/28/267697328.db2.gz CGYMAHPZIJOWJB-VOTSOKGWSA-N 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FEMRCAWCKJXFQL-UHFFFAOYSA-N -1 3 310.313 2.880 20 0 DFADHM CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000028268212 425821634 /nfs/dbraw/zinc/82/16/34/425821634.db2.gz FEMRCAWCKJXFQL-UHFFFAOYSA-N -1 3 310.313 2.880 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1C ZINC000029855336 425829808 /nfs/dbraw/zinc/82/98/08/425829808.db2.gz SNEXNAAZRYANOX-UHFFFAOYSA-N -1 3 318.354 2.539 20 0 DFADHM Cc1ccc(C)c(OCCSc2nc3nncc-3c(O)[n-]2)c1 ZINC000031611061 425835766 /nfs/dbraw/zinc/83/57/66/425835766.db2.gz KTLGNMPIQJWANC-UHFFFAOYSA-N -1 3 316.386 2.846 20 0 DFADHM CC(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000040494502 425851331 /nfs/dbraw/zinc/85/13/31/425851331.db2.gz HMBHRXZOILMSPS-UHFFFAOYSA-N -1 3 324.215 2.913 20 0 DFADHM C[C@H](CN(C)Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[O-] ZINC000042706831 425853689 /nfs/dbraw/zinc/85/36/89/425853689.db2.gz JLKZFYCXNAMRDH-SNVBAGLBSA-N -1 3 313.781 2.654 20 0 DFADHM Cc1ccc(-n2cc(C(=O)Nc3ccc(C)cc3[O-])nn2)cc1 ZINC000043005484 425854060 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ZINC000193481233 268070017 /nfs/dbraw/zinc/07/00/17/268070017.db2.gz ZLCCIYWZDVAULT-CQSZACIVSA-N -1 3 321.760 2.869 20 0 DFADHM CCO[C@@H](C[N-]S(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000193540061 268071450 /nfs/dbraw/zinc/07/14/50/268071450.db2.gz GUWUPJBKMXFDMR-HNNXBMFYSA-N -1 3 323.389 2.882 20 0 DFADHM COc1cccc([C@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000193630376 268075086 /nfs/dbraw/zinc/07/50/86/268075086.db2.gz IWMMOHSYVQAMMH-NSHDSACASA-N -1 3 323.356 2.618 20 0 DFADHM COc1cccc([C@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000193630376 268075087 /nfs/dbraw/zinc/07/50/87/268075087.db2.gz IWMMOHSYVQAMMH-NSHDSACASA-N -1 3 323.356 2.618 20 0 DFADHM COc1cccc([C@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000193630376 268075088 /nfs/dbraw/zinc/07/50/88/268075088.db2.gz IWMMOHSYVQAMMH-NSHDSACASA-N -1 3 323.356 2.618 20 0 DFADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)o1)c1cccs1 ZINC000047280416 425868944 /nfs/dbraw/zinc/86/89/44/425868944.db2.gz OSZSFBAYSJMIBK-UHFFFAOYSA-N -1 3 320.395 2.882 20 0 DFADHM CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000047343247 425869308 /nfs/dbraw/zinc/86/93/08/425869308.db2.gz NZJFGWQRKGCTLR-UHFFFAOYSA-N -1 3 323.356 2.906 20 0 DFADHM CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000047343247 425869309 /nfs/dbraw/zinc/86/93/09/425869309.db2.gz NZJFGWQRKGCTLR-UHFFFAOYSA-N -1 3 323.356 2.906 20 0 DFADHM CC(C)Oc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000047343247 425869310 /nfs/dbraw/zinc/86/93/10/425869310.db2.gz NZJFGWQRKGCTLR-UHFFFAOYSA-N -1 3 323.356 2.906 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2ccc3ncccc3c2)c1 ZINC000193953608 268085273 /nfs/dbraw/zinc/08/52/73/268085273.db2.gz KJXGLFVUYUZWJS-UHFFFAOYSA-N -1 3 308.337 2.879 20 0 DFADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cnn[n-]1 ZINC000194016568 268088152 /nfs/dbraw/zinc/08/81/52/268088152.db2.gz WYAPFMAUMCVWQZ-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1c[n-]nn1 ZINC000194016568 268088153 /nfs/dbraw/zinc/08/81/53/268088153.db2.gz WYAPFMAUMCVWQZ-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cn[n-]n1 ZINC000194016568 268088154 /nfs/dbraw/zinc/08/81/54/268088154.db2.gz WYAPFMAUMCVWQZ-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cnn[n-]1 ZINC000194138045 268092745 /nfs/dbraw/zinc/09/27/45/268092745.db2.gz KPKSZBYAWQEESW-UHFFFAOYSA-N -1 3 319.777 2.758 20 0 DFADHM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1c[n-]nn1 ZINC000194138045 268092747 /nfs/dbraw/zinc/09/27/47/268092747.db2.gz KPKSZBYAWQEESW-UHFFFAOYSA-N -1 3 319.777 2.758 20 0 DFADHM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cn[n-]n1 ZINC000194138045 268092748 /nfs/dbraw/zinc/09/27/48/268092748.db2.gz KPKSZBYAWQEESW-UHFFFAOYSA-N -1 3 319.777 2.758 20 0 DFADHM C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc(O)cc1[O-] ZINC000194261196 268096045 /nfs/dbraw/zinc/09/60/45/268096045.db2.gz AHWRXAPFQJTCIQ-SECBINFHSA-N -1 3 323.295 2.573 20 0 DFADHM CC(=O)c1cc(C(=O)NCc2ccc([O-])c(F)c2)ccc1C ZINC000194368011 268100674 /nfs/dbraw/zinc/10/06/74/268100674.db2.gz NVIMVTUCZCWAMP-UHFFFAOYSA-N -1 3 301.317 2.972 20 0 DFADHM Cc1cc(C)cc(NC(=O)C[S@](=O)c2ccc([O-])cc2)c1 ZINC000194527384 268106598 /nfs/dbraw/zinc/10/65/98/268106598.db2.gz GIUJCRKRCKPFAT-NRFANRHFSA-N -1 3 303.383 2.755 20 0 DFADHM O=C(NCCSCc1ccccc1F)c1ccc(O)cc1[O-] ZINC000194599142 268108674 /nfs/dbraw/zinc/10/86/74/268108674.db2.gz WPQPWIIADOKDPD-UHFFFAOYSA-N -1 3 321.373 2.900 20 0 DFADHM O=[S@](Cc1nnc(C2CC2)n1C1CC1)c1cccc([O-])c1 ZINC000194632215 268109385 /nfs/dbraw/zinc/10/93/85/268109385.db2.gz ZUGPVMOINDJEBR-OAQYLSRUSA-N -1 3 303.387 2.504 20 0 DFADHM CCOC(=O)[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000194749081 268113799 /nfs/dbraw/zinc/11/37/99/268113799.db2.gz YWWPTGDWMBCPDS-MRXNPFEDSA-N -1 3 303.333 2.925 20 0 DFADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000195212054 268129712 /nfs/dbraw/zinc/12/97/12/268129712.db2.gz XMEJCTLTDZYNNN-SNVBAGLBSA-N -1 3 319.398 2.700 20 0 DFADHM CC(C)=CC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000232623621 268147578 /nfs/dbraw/zinc/14/75/78/268147578.db2.gz KBPZVHLGHKOPOD-UHFFFAOYSA-N -1 3 322.199 2.833 20 0 DFADHM Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000048015133 425872904 /nfs/dbraw/zinc/87/29/04/425872904.db2.gz LCNSNYPGKVPIEN-INIZCTEOSA-N -1 3 324.380 2.944 20 0 DFADHM COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000275246371 268258652 /nfs/dbraw/zinc/25/86/52/268258652.db2.gz LUCFZFWRNVRLMV-KRWDZBQOSA-N -1 3 305.374 2.683 20 0 DFADHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(F)c(Cl)c1 ZINC000277358777 268264886 /nfs/dbraw/zinc/26/48/86/268264886.db2.gz PRGPGQBXAYVKOT-AWEZNQCLSA-N -1 3 314.788 2.508 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)c([O-])c1 ZINC000280091967 268269641 /nfs/dbraw/zinc/26/96/41/268269641.db2.gz QUAWRVNHEMQMBU-ACJLOTCBSA-N -1 3 319.401 2.536 20 0 DFADHM C[C@H]1CC(CNC(=O)c2c[n-]c3ccccc3c2=O)C[C@H](C)O1 ZINC000281163860 268270418 /nfs/dbraw/zinc/27/04/18/268270418.db2.gz BHCOQRPGTOVSRM-RYUDHWBXSA-N -1 3 314.385 2.874 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C)c(OC(C)C)c1 ZINC000282114447 268272173 /nfs/dbraw/zinc/27/21/73/268272173.db2.gz APPCOWFDFMFKQO-GFCCVEGCSA-N -1 3 301.408 2.559 20 0 DFADHM [O-]C(=NOCC1CC1)Nc1cccc(Cl)c1-n1cccn1 ZINC000292748895 268287647 /nfs/dbraw/zinc/28/76/47/268287647.db2.gz UTUAIOPDEVXPQM-UHFFFAOYSA-N -1 3 306.753 2.989 20 0 DFADHM O=C([N-]OCC1CC1)Nc1cccc(Cl)c1-n1cccn1 ZINC000292748895 268287650 /nfs/dbraw/zinc/28/76/50/268287650.db2.gz UTUAIOPDEVXPQM-UHFFFAOYSA-N -1 3 306.753 2.989 20 0 DFADHM CC(C)O[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000295758495 268296426 /nfs/dbraw/zinc/29/64/26/268296426.db2.gz VPHIDFGPMIDXDQ-ZDUSSCGKSA-N -1 3 324.808 2.648 20 0 DFADHM CS(=O)(=O)c1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000314054328 268341044 /nfs/dbraw/zinc/34/10/44/268341044.db2.gz PMYGATNKISVHDC-UHFFFAOYSA-N -1 3 316.338 2.513 20 0 DFADHM C[C@H](CO)CCCNCc1cccc([O-])c1Br ZINC000315106344 268342494 /nfs/dbraw/zinc/34/24/94/268342494.db2.gz XOJPXUBUEFHBIP-JTQLQIEISA-N -1 3 302.212 2.653 20 0 DFADHM [O-]c1cccc(CNCCOCC(F)F)c1Br ZINC000314964976 268342516 /nfs/dbraw/zinc/34/25/16/268342516.db2.gz AHRWVNSZHVSQPU-UHFFFAOYSA-N -1 3 310.138 2.526 20 0 DFADHM [O-]c1cccc(CN[C@@H]2CCCC[C@H]2O)c1Br ZINC000315410350 268343269 /nfs/dbraw/zinc/34/32/69/268343269.db2.gz RGBCSDIDYCABOB-GHMZBOCLSA-N -1 3 300.196 2.548 20 0 DFADHM C[C@@]1(C(=O)[O-])CCN(Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000316297078 268344376 /nfs/dbraw/zinc/34/43/76/268344376.db2.gz VFZCENRJKUELLA-MRXNPFEDSA-N -1 3 304.321 2.777 20 0 DFADHM CCCC[C@H](C(=O)[O-])N1CCc2cc(OC)c(OC)cc2C1 ZINC000317379297 268345004 /nfs/dbraw/zinc/34/50/04/268345004.db2.gz HCSWEZFRMGGAAA-CQSZACIVSA-N -1 3 307.390 2.705 20 0 DFADHM COc1cccc(-c2nc(-c3ccc(O)c(OC)c3)no2)c1[O-] ZINC000320454826 268347660 /nfs/dbraw/zinc/34/76/60/268347660.db2.gz OKNMAOTZBHMWBR-UHFFFAOYSA-N -1 3 314.297 2.832 20 0 DFADHM COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000321404912 268348497 /nfs/dbraw/zinc/34/84/97/268348497.db2.gz LTROPCUOPRGPCT-NUEKZKHPSA-N -1 3 319.401 2.557 20 0 DFADHM CCc1nc(CN(C)C(=O)c2cccc(OC)c2[O-])cs1 ZINC000328267515 268351375 /nfs/dbraw/zinc/35/13/75/268351375.db2.gz WHAUOAQCMQGPQY-UHFFFAOYSA-N -1 3 306.387 2.692 20 0 DFADHM Cc1ccc([O-])c(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000331354303 268356191 /nfs/dbraw/zinc/35/61/91/268356191.db2.gz ZKPNAVZBDSZLAW-UHFFFAOYSA-N -1 3 301.390 2.993 20 0 DFADHM CN(C(=O)NCc1nnc(C(F)(F)F)[n-]1)C1CCCCCC1 ZINC000331446028 268356971 /nfs/dbraw/zinc/35/69/71/268356971.db2.gz DZZBJBVMZHKAFE-UHFFFAOYSA-N -1 3 319.331 2.688 20 0 DFADHM CN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)C1CCCCCC1 ZINC000331446028 268356974 /nfs/dbraw/zinc/35/69/74/268356974.db2.gz DZZBJBVMZHKAFE-UHFFFAOYSA-N -1 3 319.331 2.688 20 0 DFADHM CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)C1CCCCCC1 ZINC000331446028 268356975 /nfs/dbraw/zinc/35/69/75/268356975.db2.gz DZZBJBVMZHKAFE-UHFFFAOYSA-N -1 3 319.331 2.688 20 0 DFADHM C[C@H](CC1CC1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000331790803 268358735 /nfs/dbraw/zinc/35/87/35/268358735.db2.gz CIKZVMVLJMAFFQ-MRVPVSSYSA-N -1 3 308.325 2.567 20 0 DFADHM CNC(=O)CCCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000332669768 268361121 /nfs/dbraw/zinc/36/11/21/268361121.db2.gz BGSSYWOMOVEXHX-LBPRGKRZSA-N -1 3 304.390 2.539 20 0 DFADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCC(C)(C)C3)cn21 ZINC000333100002 268374335 /nfs/dbraw/zinc/37/43/35/268374335.db2.gz CEHDTVALYPKIGR-RYUDHWBXSA-N -1 3 311.451 2.637 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C1CCCC1 ZINC000333110572 268374745 /nfs/dbraw/zinc/37/47/45/268374745.db2.gz DWQGOPLYTADMCJ-NWDGAFQWSA-N -1 3 311.451 2.637 20 0 DFADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C(C)(C)C3CCC3)cn21 ZINC000333165845 268379410 /nfs/dbraw/zinc/37/94/10/268379410.db2.gz MTANGHYZVICYPX-LLVKDONJSA-N -1 3 311.451 2.637 20 0 DFADHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000333177546 268380380 /nfs/dbraw/zinc/38/03/80/268380380.db2.gz PCKGFEUAAIKFOT-AGIUHOORSA-N -1 3 311.451 2.637 20 0 DFADHM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c2c([O-])cccc21 ZINC000333189229 268381408 /nfs/dbraw/zinc/38/14/08/268381408.db2.gz NRYADSRCTBFWRF-BYCMXARLSA-N -1 3 311.385 2.770 20 0 DFADHM Cc1cccc(-c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)c1[O-] ZINC000333218909 268383692 /nfs/dbraw/zinc/38/36/92/268383692.db2.gz DDLWVJZNLPDLQL-GUYCJALGSA-N -1 3 315.373 2.676 20 0 DFADHM O=C(NCCc1ccc(Cl)s1)c1ccc2n[n-]nc2c1 ZINC000049349009 425879069 /nfs/dbraw/zinc/87/90/69/425879069.db2.gz SZCAKUWCVOEIEN-UHFFFAOYSA-N -1 3 306.778 2.645 20 0 DFADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000333403864 268396236 /nfs/dbraw/zinc/39/62/36/268396236.db2.gz FTHJSGDWNCFBRC-MNOVXSKESA-N -1 3 322.409 2.843 20 0 DFADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000333403864 268396237 /nfs/dbraw/zinc/39/62/37/268396237.db2.gz FTHJSGDWNCFBRC-MNOVXSKESA-N -1 3 322.409 2.843 20 0 DFADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000333403864 268396239 /nfs/dbraw/zinc/39/62/39/268396239.db2.gz FTHJSGDWNCFBRC-MNOVXSKESA-N -1 3 322.409 2.843 20 0 DFADHM COc1ccc(C)cc1[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000125587809 425981088 /nfs/dbraw/zinc/98/10/88/425981088.db2.gz OQSSZFIVJROWJW-LLVKDONJSA-N -1 3 301.342 2.906 20 0 DFADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)NCCC(C)C)n1 ZINC000125606619 425981787 /nfs/dbraw/zinc/98/17/87/425981787.db2.gz KWWUOMJLWDNOBR-LLVKDONJSA-N -1 3 311.451 2.529 20 0 DFADHM CC(C)c1ccc(C(=O)NCCCOC[C@H]2CCCO2)c([O-])c1 ZINC000071946601 426005903 /nfs/dbraw/zinc/00/59/03/426005903.db2.gz VLUSXAOGLXAGSP-OAHLLOKOSA-N -1 3 321.417 2.831 20 0 DFADHM CCc1cccc(C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000124818818 425940287 /nfs/dbraw/zinc/94/02/87/425940287.db2.gz UJASKCCRAHZOGP-CZUORRHYSA-N -1 3 313.401 2.874 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)c1cccc([O-])c1)C(=O)OC(C)(C)C ZINC000158979795 425952484 /nfs/dbraw/zinc/95/24/84/425952484.db2.gz HHORYSCOVBRQKG-FZMZJTMJSA-N -1 3 307.390 2.878 20 0 DFADHM Cc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)c([O-])c1 ZINC000069688647 425953503 /nfs/dbraw/zinc/95/35/03/425953503.db2.gz 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DFADHM COc1ccc(C(=O)NC[C@H](OC)c2ccccc2)c([O-])c1 ZINC000112114002 426065959 /nfs/dbraw/zinc/06/59/59/426065959.db2.gz MZYPMAWRMJAMMC-INIZCTEOSA-N -1 3 301.342 2.518 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)n[n-]1 ZINC000127493875 426069459 /nfs/dbraw/zinc/06/94/59/426069459.db2.gz HNQNXXUMCGVKDD-NWDGAFQWSA-N -1 3 324.340 2.816 20 0 DFADHM COc1cc(C)cc(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000162566468 426070158 /nfs/dbraw/zinc/07/01/58/426070158.db2.gz XHYRQTMJRFRTCY-UHFFFAOYSA-N -1 3 318.348 2.848 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)c(F)c1 ZINC000126184906 426008738 /nfs/dbraw/zinc/00/87/38/426008738.db2.gz SJGLEROPAKSMPK-UHFFFAOYSA-N -1 3 308.622 2.868 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)c(F)c1 ZINC000126184906 426008740 /nfs/dbraw/zinc/00/87/40/426008740.db2.gz SJGLEROPAKSMPK-UHFFFAOYSA-N -1 3 308.622 2.868 20 0 DFADHM CCc1cccc(NC(=O)C[S@](=O)c2ccc([O-])cc2)c1 ZINC000108085894 426009868 /nfs/dbraw/zinc/00/98/68/426009868.db2.gz 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426096981 /nfs/dbraw/zinc/09/69/81/426096981.db2.gz RTGNHOJCOMJJAH-MNOVXSKESA-N -1 3 304.350 2.599 20 0 DFADHM COC[C@H]1CCCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000163561735 426103921 /nfs/dbraw/zinc/10/39/21/426103921.db2.gz YHIZMZWTAYOULU-ZDUSSCGKSA-N -1 3 314.385 2.747 20 0 DFADHM CCOc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000113043708 426104024 /nfs/dbraw/zinc/10/40/24/426104024.db2.gz ZMVZLMHSMNQKQC-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCOc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000113043708 426104026 /nfs/dbraw/zinc/10/40/26/426104026.db2.gz ZMVZLMHSMNQKQC-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM C[C@@H](c1cccnc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163685870 426107318 /nfs/dbraw/zinc/10/73/18/426107318.db2.gz WXGKKPKSLKWJNL-NSHDSACASA-N -1 3 303.337 2.829 20 0 DFADHM CCC(CC)CS(=O)(=O)[N-]C1(c2noc(C)n2)CCCC1 ZINC000113278455 426111144 /nfs/dbraw/zinc/11/11/44/426111144.db2.gz NNZBZDGABDTAGL-UHFFFAOYSA-N -1 3 315.439 2.503 20 0 DFADHM 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Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)s1 ZINC000176914495 426424218 /nfs/dbraw/zinc/42/42/18/426424218.db2.gz SAMZYAOWCAPXDM-ZDUSSCGKSA-N -1 3 322.455 2.768 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]C/C=C/c2ccccc2)s1 ZINC000176916938 426424400 /nfs/dbraw/zinc/42/44/00/426424400.db2.gz QTIKNJALWIVTJH-RMKNXTFCSA-N -1 3 308.428 2.752 20 0 DFADHM CCN(CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000154139115 426426530 /nfs/dbraw/zinc/42/65/30/426426530.db2.gz QKEGFPBKGSJKTO-UHFFFAOYSA-N -1 3 316.323 2.738 20 0 DFADHM C[C@@H]([N-]c1nnc(C(F)(F)F)s1)C(=O)N1CCCC[C@H]1C ZINC000154253160 426432426 /nfs/dbraw/zinc/43/24/26/426432426.db2.gz BXNSQCLXIBUIOD-HTQZYQBOSA-N -1 3 322.356 2.758 20 0 DFADHM Cc1ccc([C@H]2CN(C(=O)c3cccc(C)c3[O-])CCO2)o1 ZINC000154279796 426433849 /nfs/dbraw/zinc/43/38/49/426433849.db2.gz JVIFMBARMOCZMB-OAHLLOKOSA-N -1 3 301.342 2.816 20 0 DFADHM COCCS(=O)(=O)[N-]c1ccc(SC(C)(C)C)cc1 ZINC000154403836 426439584 /nfs/dbraw/zinc/43/95/84/426439584.db2.gz RNAJNULBNAAKND-UHFFFAOYSA-N -1 3 303.449 2.965 20 0 DFADHM Cc1ccccc1[C@@H](C)NC(=O)c1c[n-]c2ccncc2c1=O ZINC000340833382 269019308 /nfs/dbraw/zinc/01/93/08/269019308.db2.gz LUZQXRDSXJNKFG-GFCCVEGCSA-N -1 3 307.353 2.723 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000097272319 426462959 /nfs/dbraw/zinc/46/29/59/426462959.db2.gz DELMMPJLUWQADP-UHFFFAOYSA-N -1 3 316.332 2.762 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCc3occc32)c1 ZINC000097373974 426464402 /nfs/dbraw/zinc/46/44/02/426464402.db2.gz JGFJAAXVDDURQK-AWEZNQCLSA-N -1 3 314.341 2.751 20 0 DFADHM CCCn1c(=O)[n-]nc1S[C@@H](C(=O)OC)c1ccccc1C ZINC000124158346 426472736 /nfs/dbraw/zinc/47/27/36/426472736.db2.gz DTHMCDGOXKIUBW-GFCCVEGCSA-N -1 3 321.402 2.709 20 0 DFADHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000101630755 426485746 /nfs/dbraw/zinc/48/57/46/426485746.db2.gz UEZXJQWOXKUAQU-CHWSQXEVSA-N -1 3 304.390 2.615 20 0 DFADHM COC(=O)[C@]1(C)CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280243374 426529412 /nfs/dbraw/zinc/52/94/12/426529412.db2.gz ICTOIOOFRIXZEH-SFHVURJKSA-N -1 3 313.353 2.713 20 0 DFADHM COC(=O)CCCO[N-]C(=O)Nc1cccc(C)c1Cl ZINC000288794394 426533666 /nfs/dbraw/zinc/53/36/66/426533666.db2.gz MCKWIRGIJOBFMF-UHFFFAOYSA-N -1 3 300.742 2.655 20 0 DFADHM Cc1cccc(OCCN(C)[C@@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000177918487 426540296 /nfs/dbraw/zinc/54/02/96/426540296.db2.gz DXWSNHYNDKHRMV-AWEZNQCLSA-N -1 3 301.390 2.871 20 0 DFADHM COc1ccc([O-])c(C(=O)NCCO[C@H]2CCCC[C@H]2C)c1 ZINC000195594264 426540939 /nfs/dbraw/zinc/54/09/39/426540939.db2.gz JWYROWFKUFBBHN-WBMJQRKESA-N -1 3 307.390 2.726 20 0 DFADHM CCc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2[O-])CC1=O ZINC000198138208 426543571 /nfs/dbraw/zinc/54/35/71/426543571.db2.gz CJYCVVQMRYNGSJ-AWEZNQCLSA-N -1 3 324.380 2.946 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)ccc1[O-] ZINC000272530647 426548672 /nfs/dbraw/zinc/54/86/72/426548672.db2.gz WUYZUVBTOBJACM-GFCCVEGCSA-N -1 3 324.380 2.711 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)ccc1[O-] ZINC000272530650 426548918 /nfs/dbraw/zinc/54/89/18/426548918.db2.gz WUYZUVBTOBJACM-LBPRGKRZSA-N -1 3 324.380 2.711 20 0 DFADHM O=C([N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(F)F ZINC000280336911 426551551 /nfs/dbraw/zinc/55/15/51/426551551.db2.gz SWPLOELDIKRSAU-SSDOTTSWSA-N -1 3 309.143 2.953 20 0 DFADHM CC[C@H](O)CCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000186561468 426551456 /nfs/dbraw/zinc/55/14/56/426551456.db2.gz UJYGDLUUCYFQLL-QMMMGPOBSA-N -1 3 313.810 2.682 20 0 DFADHM CN1CC[C@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])[C@H]2C1 ZINC000272546204 426553299 /nfs/dbraw/zinc/55/32/99/426553299.db2.gz CPWSGJWFXAXMRG-YOEHRIQHSA-N -1 3 310.397 2.712 20 0 DFADHM [O-]c1cc(F)cc(CN2CCN(c3ccc(O)cc3)CC2)c1 ZINC000186155305 426489157 /nfs/dbraw/zinc/48/91/57/426489157.db2.gz JTOYMFNZKAYRRT-UHFFFAOYSA-N -1 3 302.349 2.559 20 0 DFADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1ccc(F)cc1F ZINC000186168270 426490676 /nfs/dbraw/zinc/49/06/76/426490676.db2.gz NTRLHRFBZXWKBT-GFCCVEGCSA-N -1 3 319.373 2.592 20 0 DFADHM COC(=O)c1cc(CN(C)Cc2cc([O-])cc(F)c2)oc1C ZINC000186169789 426491082 /nfs/dbraw/zinc/49/10/82/426491082.db2.gz WTJQCFJOQKOJQN-UHFFFAOYSA-N -1 3 307.321 2.851 20 0 DFADHM Cc1csc(N2CCN(Cc3cc([O-])cc(F)c3)CC2)n1 ZINC000186180851 426491745 /nfs/dbraw/zinc/49/17/45/426491745.db2.gz OWBAFRIDURJLPE-UHFFFAOYSA-N -1 3 307.394 2.618 20 0 DFADHM COc1ccc([C@H]2CCN(C(=O)c3ccc(O)cc3[O-])C2)cc1 ZINC000194788785 426493312 /nfs/dbraw/zinc/49/33/12/426493312.db2.gz UQNFJWLHMKWQBU-ZDUSSCGKSA-N -1 3 313.353 2.736 20 0 DFADHM O=C([N-]C[C@H](O)c1ccc2ccccc2c1)C(F)(F)C(F)F ZINC000177619391 426499591 /nfs/dbraw/zinc/49/95/91/426499591.db2.gz IXFNGLIKUBFXCS-LBPRGKRZSA-N -1 3 315.266 2.890 20 0 DFADHM C[C@@H]1CCN(C(=O)CNC(=O)OC(C)(C)C)c2c([O-])cccc21 ZINC000186305395 426501743 /nfs/dbraw/zinc/50/17/43/426501743.db2.gz HATAICBAHXZAMZ-LLVKDONJSA-N -1 3 320.389 2.757 20 0 DFADHM CCOc1cc(-c2noc([C@@H]3CC[C@@H]3C(=O)OC)n2)ccc1[O-] ZINC000288998201 426565226 /nfs/dbraw/zinc/56/52/26/426565226.db2.gz DFXOQQRBOMDAHS-MNOVXSKESA-N -1 3 318.329 2.508 20 0 DFADHM CC(C)c1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c([O-])c1 ZINC000272587503 426566054 /nfs/dbraw/zinc/56/60/54/426566054.db2.gz HKSMCAXKPLTGCK-CZUORRHYSA-N -1 3 302.418 2.682 20 0 DFADHM COc1cc(C(=O)N[C@H](C)C[C@H](O)c2ccccc2)ccc1[O-] ZINC000272592899 426567952 /nfs/dbraw/zinc/56/79/52/426567952.db2.gz CUOBNQBCCHKWDC-WBMJQRKESA-N -1 3 315.369 2.643 20 0 DFADHM Cc1cc(C(=O)NCc2ccnc(N3CCCC3)c2)ccc1[O-] ZINC000272602395 426569717 /nfs/dbraw/zinc/56/97/17/426569717.db2.gz PVIZAGUHGQMPEY-UHFFFAOYSA-N -1 3 311.385 2.626 20 0 DFADHM O=c1[n-]c(=O)n(Cc2cccc(Cl)c2Cl)cc1Cl ZINC000218808192 426569998 /nfs/dbraw/zinc/56/99/98/426569998.db2.gz HJZRXDPSRKENBR-UHFFFAOYSA-N -1 3 305.548 2.545 20 0 DFADHM COc1cc(-c2noc(C[C@H]3CCC(=O)[C@@H]3C)n2)ccc1[O-] ZINC000280413251 426570209 /nfs/dbraw/zinc/57/02/09/426570209.db2.gz YSWVDOUMWJVIFQ-NXEZZACHSA-N -1 3 302.330 2.609 20 0 DFADHM COc1cccc(C(=O)N2Cc3ccccc3OC[C@@H]2C)c1[O-] ZINC000272913680 426574957 /nfs/dbraw/zinc/57/49/57/426574957.db2.gz HXNLXJDMZUNOEY-LBPRGKRZSA-N -1 3 313.353 2.824 20 0 DFADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280445422 426577739 /nfs/dbraw/zinc/57/77/39/426577739.db2.gz RANFGXOGAWXNDV-DMDKVIGKSA-N -1 3 317.410 2.527 20 0 DFADHM CCC[C@](C)(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000280446278 426577949 /nfs/dbraw/zinc/57/79/49/426577949.db2.gz FWAWCJHWTNUDST-INIZCTEOSA-N -1 3 301.394 2.699 20 0 DFADHM CCC[C@](C)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000280446278 426577952 /nfs/dbraw/zinc/57/79/52/426577952.db2.gz FWAWCJHWTNUDST-INIZCTEOSA-N -1 3 301.394 2.699 20 0 DFADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)c2nc(C(C)C)no2)cc1 ZINC000178159601 426578670 /nfs/dbraw/zinc/57/86/70/426578670.db2.gz JKGHPAGEOPUFRU-LBPRGKRZSA-N -1 3 303.362 2.853 20 0 DFADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1nccs1 ZINC000186686439 426579145 /nfs/dbraw/zinc/57/91/45/426579145.db2.gz KDKCTNFOVYYXLW-QMMMGPOBSA-N -1 3 318.370 2.503 20 0 DFADHM CC[C@H]1C[C@@H](CC(=O)Nc2nnc(-c3ccco3)[n-]2)CCO1 ZINC000273055862 426582972 /nfs/dbraw/zinc/58/29/72/426582972.db2.gz WMBGHPKPASSOIN-QWRGUYRKSA-N -1 3 304.350 2.599 20 0 DFADHM CC[C@H]1C[C@@H](CC(=O)Nc2nc(-c3ccco3)n[n-]2)CCO1 ZINC000273055862 426582976 /nfs/dbraw/zinc/58/29/76/426582976.db2.gz WMBGHPKPASSOIN-QWRGUYRKSA-N -1 3 304.350 2.599 20 0 DFADHM CC[C@H]1C[C@@H](CC(=O)Nc2n[n-]c(-c3ccco3)n2)CCO1 ZINC000273055862 426582979 /nfs/dbraw/zinc/58/29/79/426582979.db2.gz WMBGHPKPASSOIN-QWRGUYRKSA-N -1 3 304.350 2.599 20 0 DFADHM CN(CCN(C)C1CC1)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186711576 426583340 /nfs/dbraw/zinc/58/33/40/426583340.db2.gz JWISJOFJDKOLMQ-UHFFFAOYSA-N -1 3 317.216 2.865 20 0 DFADHM CC[C@H]1C[C@H](CC(=O)Nc2nnc(-c3ccco3)[n-]2)CCO1 ZINC000273055861 426583750 /nfs/dbraw/zinc/58/37/50/426583750.db2.gz WMBGHPKPASSOIN-MNOVXSKESA-N -1 3 304.350 2.599 20 0 DFADHM CC[C@H]1C[C@H](CC(=O)Nc2nc(-c3ccco3)n[n-]2)CCO1 ZINC000273055861 426583756 /nfs/dbraw/zinc/58/37/56/426583756.db2.gz WMBGHPKPASSOIN-MNOVXSKESA-N -1 3 304.350 2.599 20 0 DFADHM CC[C@H]1C[C@H](CC(=O)Nc2n[n-]c(-c3ccco3)n2)CCO1 ZINC000273055861 426583760 /nfs/dbraw/zinc/58/37/60/426583760.db2.gz WMBGHPKPASSOIN-MNOVXSKESA-N -1 3 304.350 2.599 20 0 DFADHM CCOc1cc(-c2noc(CCOCC(F)F)n2)ccc1[O-] ZINC000289119535 426586632 /nfs/dbraw/zinc/58/66/32/426586632.db2.gz LFHHCXOCQHNVQD-UHFFFAOYSA-N -1 3 314.288 2.665 20 0 DFADHM C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289165417 426596039 /nfs/dbraw/zinc/59/60/39/426596039.db2.gz DYERLSWPNWZIBD-ZYHUDNBSSA-N -1 3 306.797 2.692 20 0 DFADHM C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289165414 426596358 /nfs/dbraw/zinc/59/63/58/426596358.db2.gz DYERLSWPNWZIBD-PWSUYJOCSA-N -1 3 306.797 2.692 20 0 DFADHM CSCCON=C([O-])Nc1cccc(N2CCCCC2=O)c1 ZINC000280558725 426601212 /nfs/dbraw/zinc/60/12/12/426601212.db2.gz QEOZISMJYDEOGK-UHFFFAOYSA-N -1 3 323.418 2.620 20 0 DFADHM CSCCO[N-]C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000280558725 426601218 /nfs/dbraw/zinc/60/12/18/426601218.db2.gz QEOZISMJYDEOGK-UHFFFAOYSA-N -1 3 323.418 2.620 20 0 DFADHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000178327455 426606144 /nfs/dbraw/zinc/60/61/44/426606144.db2.gz CNLHXUTULTTZEH-RYUDHWBXSA-N -1 3 322.380 2.755 20 0 DFADHM CC[C@H](CC1CCCC1)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000273171767 426606884 /nfs/dbraw/zinc/60/68/84/426606884.db2.gz CYBOCXZPEBOFBE-CYBMUJFWSA-N -1 3 303.406 2.673 20 0 DFADHM CCCCC[C@H](C(=O)N1CCc2c(nc[n-]c2=O)C1)C(C)C ZINC000273177482 426608294 /nfs/dbraw/zinc/60/82/94/426608294.db2.gz DRADONLKIQYJHB-ZDUSSCGKSA-N -1 3 305.422 2.919 20 0 DFADHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccoc2C(C)C)s1 ZINC000280588363 426609246 /nfs/dbraw/zinc/60/92/46/426609246.db2.gz WTISJTPCUSZAQF-UHFFFAOYSA-N -1 3 323.374 2.612 20 0 DFADHM COC[C@H]1CCCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000273193422 426612980 /nfs/dbraw/zinc/61/29/80/426612980.db2.gz IKTMIKCYTVDRCI-ZDUSSCGKSA-N -1 3 314.385 2.747 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)C(C)C ZINC000226472035 426620263 /nfs/dbraw/zinc/62/02/63/426620263.db2.gz ORMXWLXUCSLDBK-JTQLQIEISA-N -1 3 319.448 2.556 20 0 DFADHM Cc1c([O-])ccc2c(CN3CCCC[C@@H]3[C@@H](C)O)cc(=O)oc12 ZINC000264448157 426555932 /nfs/dbraw/zinc/55/59/32/426555932.db2.gz RMRQVFYMBWVDNK-IUODEOHRSA-N -1 3 317.385 2.542 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)[C@@H](c1ccccc1)N(C)C ZINC000186583816 426556470 /nfs/dbraw/zinc/55/64/70/426556470.db2.gz HGHULROODZNAJP-DOMZBBRYSA-N -1 3 324.471 2.718 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@](C)(O)CC3)c[n-]c12 ZINC000280692307 426635199 /nfs/dbraw/zinc/63/51/99/426635199.db2.gz WFTKLWODBIMFKI-SFHVURJKSA-N -1 3 314.385 2.626 20 0 DFADHM Cc1cc2cc(C(=O)N3CCc4c(nc[n-]c4=O)C3)oc2cc1C ZINC000273290979 426635643 /nfs/dbraw/zinc/63/56/43/426635643.db2.gz UUPNIIMVZVZRGN-UHFFFAOYSA-N -1 3 323.352 2.744 20 0 DFADHM C[C@@H]1C[C@H](C(=O)N2CCc3c(nc[n-]c3=O)C2)CC(C)(C)C1 ZINC000273300409 426637721 /nfs/dbraw/zinc/63/77/21/426637721.db2.gz WCYVRHOQRFVEEX-NEPJUHHUSA-N -1 3 303.406 2.529 20 0 DFADHM CCC[C@H](C(=O)N1CCc2c(nc[n-]c2=O)C1)c1ccccc1 ZINC000273305118 426639968 /nfs/dbraw/zinc/63/99/68/426639968.db2.gz WVAKOGLGHDZEBS-AWEZNQCLSA-N -1 3 311.385 2.651 20 0 DFADHM C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1c(F)ccc([O-])c1F ZINC000280713608 426640740 /nfs/dbraw/zinc/64/07/40/426640740.db2.gz GNAYYPVJRMFTHE-GHMZBOCLSA-N -1 3 312.360 2.521 20 0 DFADHM Cc1ccc(N2CCOCC2)cc1NC([O-])=NOC1CCCC1 ZINC000280726738 426642887 /nfs/dbraw/zinc/64/28/87/426642887.db2.gz KCAJSFJXEIYVQQ-UHFFFAOYSA-N -1 3 319.405 2.827 20 0 DFADHM Cc1ccc(N2CCOCC2)cc1NC(=O)[N-]OC1CCCC1 ZINC000280726738 426642892 /nfs/dbraw/zinc/64/28/92/426642892.db2.gz KCAJSFJXEIYVQQ-UHFFFAOYSA-N -1 3 319.405 2.827 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1Cc2ccccc2C2(CC2)C1 ZINC000187297613 426648541 /nfs/dbraw/zinc/64/85/41/426648541.db2.gz DQWSROSKAFSILB-AATRIKPKSA-N -1 3 306.365 2.874 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC[C@@H](c3ccncc3)C2)on1 ZINC000289404746 426649191 /nfs/dbraw/zinc/64/91/91/426649191.db2.gz SIVJIEVJRWVFMZ-DZGCQCFKSA-N -1 3 314.389 2.585 20 0 DFADHM COc1cccc(CO[C@H](C)C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000273357303 426650370 /nfs/dbraw/zinc/65/03/70/426650370.db2.gz CZEHPKPTIIMNLA-GFCCVEGCSA-N -1 3 316.357 2.648 20 0 DFADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C)cc(F)c1 ZINC000178608218 426663695 /nfs/dbraw/zinc/66/36/95/426663695.db2.gz RYPOVQZHYIFVCF-UHFFFAOYSA-N -1 3 307.350 2.500 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])n1nnnc1C(C)(C)C ZINC000273456963 426667822 /nfs/dbraw/zinc/66/78/22/426667822.db2.gz MBJJQFNTIQZPQW-QMMMGPOBSA-N -1 3 323.784 2.529 20 0 DFADHM CC(C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCCCC1 ZINC000236661443 426670602 /nfs/dbraw/zinc/67/06/02/426670602.db2.gz LKKYHUOKHKCBJA-INIZCTEOSA-N -1 3 318.417 2.512 20 0 DFADHM CC(C)Cn1cc(NC([O-])=NOCc2ccc(F)cc2)cn1 ZINC000273496104 426674736 /nfs/dbraw/zinc/67/47/36/426674736.db2.gz PCGXKZFZUVTKMU-UHFFFAOYSA-N -1 3 306.341 2.932 20 0 DFADHM CC(C)Cn1cc(NC(=O)[N-]OCc2ccc(F)cc2)cn1 ZINC000273496104 426674741 /nfs/dbraw/zinc/67/47/41/426674741.db2.gz PCGXKZFZUVTKMU-UHFFFAOYSA-N -1 3 306.341 2.932 20 0 DFADHM O=C([N-]c1ncnn1-c1ccccc1)c1noc2c1CCCCC2 ZINC000289798992 426675059 /nfs/dbraw/zinc/67/50/59/426675059.db2.gz PZSCDNPIOYJETN-UHFFFAOYSA-N -1 3 323.356 2.777 20 0 DFADHM COC(=O)c1cncc([N-]C(=O)c2cc(-c3ccccc3)no2)c1 ZINC000178401181 426622753 /nfs/dbraw/zinc/62/27/53/426622753.db2.gz RXJRQCAYNOMGDF-UHFFFAOYSA-N -1 3 323.308 2.776 20 0 DFADHM O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)c1c[n-]nn1 ZINC000187039359 426623290 /nfs/dbraw/zinc/62/32/90/426623290.db2.gz TWJNURMEWPTJRX-MRXNPFEDSA-N -1 3 304.353 2.889 20 0 DFADHM O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)c1cnn[n-]1 ZINC000187039359 426623294 /nfs/dbraw/zinc/62/32/94/426623294.db2.gz TWJNURMEWPTJRX-MRXNPFEDSA-N -1 3 304.353 2.889 20 0 DFADHM O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)c1cn[n-]n1 ZINC000187039359 426623297 /nfs/dbraw/zinc/62/32/97/426623297.db2.gz TWJNURMEWPTJRX-MRXNPFEDSA-N -1 3 304.353 2.889 20 0 DFADHM CN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1OC1CCCC1 ZINC000187895103 426705605 /nfs/dbraw/zinc/70/56/05/426705605.db2.gz ZUHOURQAPMIWEE-UHFFFAOYSA-N -1 3 318.826 2.880 20 0 DFADHM CCc1cc2c(CN3CC[C@@H](COC)C3)cc(=O)oc2cc1[O-] ZINC000265794862 426692203 /nfs/dbraw/zinc/69/22/03/426692203.db2.gz NAMGMPIJCUCWER-GFCCVEGCSA-N -1 3 317.385 2.529 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3cc(C4CC4)n(C)n3)n[n-]2)o1 ZINC000290449756 426767160 /nfs/dbraw/zinc/76/71/60/426767160.db2.gz DJMSDTNPUOENFJ-UHFFFAOYSA-N -1 3 311.345 2.841 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3cc(C4CC4)n(C)n3)[n-]n2)o1 ZINC000290449756 426767162 /nfs/dbraw/zinc/76/71/62/426767162.db2.gz DJMSDTNPUOENFJ-UHFFFAOYSA-N -1 3 311.345 2.841 20 0 DFADHM CCc1ccc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)c([O-])c1 ZINC000188648441 426772445 /nfs/dbraw/zinc/77/24/45/426772445.db2.gz ANMZOQTVWOBULF-CQSZACIVSA-N -1 3 324.380 2.810 20 0 DFADHM C[C@H](C[N-]S(=O)(=O)c1ccco1)Oc1ccccc1Cl ZINC000188728199 426781785 /nfs/dbraw/zinc/78/17/85/426781785.db2.gz VOPUKTRLXYDEIC-SNVBAGLBSA-N -1 3 315.778 2.679 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCCn1ccc2ccccc21 ZINC000179391461 426785252 /nfs/dbraw/zinc/78/52/52/426785252.db2.gz IYEUMAADTFHYOV-VOTSOKGWSA-N -1 3 321.380 2.962 20 0 DFADHM Cc1ccc(NC(=O)c2cnc3c(cnn3C)c2[O-])c(Cl)c1 ZINC000179383601 426785705 /nfs/dbraw/zinc/78/57/05/426785705.db2.gz OQIWQQMSJWGKHA-UHFFFAOYSA-N -1 3 316.748 2.888 20 0 DFADHM C[C@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccc(F)cc1F ZINC000179391077 426785997 /nfs/dbraw/zinc/78/59/97/426785997.db2.gz CMXPMIQIDMHNGD-FWYAXHSGSA-N -1 3 304.296 2.956 20 0 DFADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@H]1c1ccccc1)c2[O-] ZINC000179403243 426786864 /nfs/dbraw/zinc/78/68/64/426786864.db2.gz VOAPMMUXUHKUOG-HNNXBMFYSA-N -1 3 322.368 2.651 20 0 DFADHM Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000290267393 426728749 /nfs/dbraw/zinc/72/87/49/426728749.db2.gz BNSNQUJOTQGDIA-LBPRGKRZSA-N -1 3 319.792 2.855 20 0 DFADHM Cc1cc(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)[n-]c(=O)n1 ZINC000274281616 426733968 /nfs/dbraw/zinc/73/39/68/426733968.db2.gz JWKXEUKCSXOGAJ-GFCCVEGCSA-N -1 3 303.406 2.923 20 0 DFADHM CC(C)c1ccc(C(=O)NC[C@](C)(O)c2ccco2)c([O-])c1 ZINC000266542136 426735544 /nfs/dbraw/zinc/73/55/44/426735544.db2.gz KJCQFFMXMSMUQG-KRWDZBQOSA-N -1 3 303.358 2.746 20 0 DFADHM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000274290643 426737034 /nfs/dbraw/zinc/73/70/34/426737034.db2.gz MLVOIEZIIVMWTK-PXAZEXFGSA-N -1 3 312.369 2.628 20 0 DFADHM COC(=O)C[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000290300002 426737179 /nfs/dbraw/zinc/73/71/79/426737179.db2.gz HTUBTMURXXEHMI-QMMMGPOBSA-N -1 3 319.279 2.939 20 0 DFADHM COC(=O)[C@H]1CCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290330119 426742623 /nfs/dbraw/zinc/74/26/23/426742623.db2.gz CLQLNTYYQADCEM-GFCCVEGCSA-N -1 3 303.280 2.548 20 0 DFADHM CCOc1ccc([N-]S(=O)(=O)N(CC)CC)c2ncccc12 ZINC000274335663 426746755 /nfs/dbraw/zinc/74/67/55/426746755.db2.gz XJMCEFNVMUACDO-UHFFFAOYSA-N -1 3 323.418 2.632 20 0 DFADHM CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000281723855 426752136 /nfs/dbraw/zinc/75/21/36/426752136.db2.gz IKXHRVPMXUAMJJ-OAHLLOKOSA-N -1 3 324.388 2.542 20 0 DFADHM CC[C@@H](C(=O)Nc1nnc(SC)[n-]1)c1ccc(OC)cc1 ZINC000281759471 426758373 /nfs/dbraw/zinc/75/83/73/426758373.db2.gz WHDUDPDCYZYGJN-LLVKDONJSA-N -1 3 306.391 2.668 20 0 DFADHM CC[C@@H](C(=O)Nc1nc(SC)n[n-]1)c1ccc(OC)cc1 ZINC000281759471 426758376 /nfs/dbraw/zinc/75/83/76/426758376.db2.gz WHDUDPDCYZYGJN-LLVKDONJSA-N -1 3 306.391 2.668 20 0 DFADHM CC[C@@H](C(=O)Nc1n[n-]c(SC)n1)c1ccc(OC)cc1 ZINC000281759471 426758379 /nfs/dbraw/zinc/75/83/79/426758379.db2.gz WHDUDPDCYZYGJN-LLVKDONJSA-N -1 3 306.391 2.668 20 0 DFADHM CCc1ccc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)c([O-])c1 ZINC000188511214 426760335 /nfs/dbraw/zinc/76/03/35/426760335.db2.gz SXVWKOHHAJQIBX-HNNXBMFYSA-N -1 3 313.401 2.838 20 0 DFADHM CCC[C@]1(CO)CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000290431137 426761812 /nfs/dbraw/zinc/76/18/12/426761812.db2.gz AUDNBFOMFNWDGJ-IBGZPJMESA-N -1 3 317.429 2.896 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)ccc1[O-] ZINC000274427151 426765849 /nfs/dbraw/zinc/76/58/49/426765849.db2.gz PMBFPBRASHDMRP-CQSZACIVSA-N -1 3 319.401 2.895 20 0 DFADHM O=C(CNC(=O)c1cccc([O-])c1)N(CC1CC1)c1ccccc1 ZINC000274417898 426765886 /nfs/dbraw/zinc/76/58/86/426765886.db2.gz IJDBYCVNRPVUAK-UHFFFAOYSA-N -1 3 324.380 2.565 20 0 DFADHM CC(C)c1cc(C(=O)N2CCNC(=O)[C@@H]2C)c([O-])c(C(C)C)c1 ZINC000179525052 426798005 /nfs/dbraw/zinc/79/80/05/426798005.db2.gz CCGDKBSVRZPJGW-LBPRGKRZSA-N -1 3 318.417 2.600 20 0 DFADHM CCS[C@@H]1CC[C@H](N(C)C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000179525749 426798031 /nfs/dbraw/zinc/79/80/31/426798031.db2.gz DCGSIYAYQKHUAQ-ZDSVCRJJSA-N -1 3 306.431 2.933 20 0 DFADHM C[C@H](CNC(=O)/C=C/c1cncc([O-])c1)Oc1cccc(F)c1 ZINC000179521487 426798076 /nfs/dbraw/zinc/79/80/76/426798076.db2.gz YVPXYVNQPZQSSG-BTDICHCPSA-N -1 3 316.332 2.523 20 0 DFADHM Cc1nc(C(C)(C)NC(=O)/C=C/c2cncc([O-])c2)sc1C ZINC000179509104 426798423 /nfs/dbraw/zinc/79/84/23/426798423.db2.gz BIDOMFNWOOOLJI-AATRIKPKSA-N -1 3 317.414 2.925 20 0 DFADHM NC(=O)c1ccc(F)c([N-]C(=O)c2nc3ccccc3s2)c1 ZINC000179547046 426799165 /nfs/dbraw/zinc/79/91/65/426799165.db2.gz HFZASDDGCOOMPG-UHFFFAOYSA-N -1 3 315.329 2.787 20 0 DFADHM Cn1cccc1[C@@H]1CCCCN1C(=O)/C=C/c1cncc([O-])c1 ZINC000179532621 426799885 /nfs/dbraw/zinc/79/98/85/426799885.db2.gz PLGPSNUHROTLHX-OZSKJFCKSA-N -1 3 311.385 2.893 20 0 DFADHM CCc1cnc(CNC(=O)c2cc3c(cc2[O-])CCCC3)o1 ZINC000274597644 426800331 /nfs/dbraw/zinc/80/03/31/426800331.db2.gz SJDOCKKTZNBUKI-UHFFFAOYSA-N -1 3 300.358 2.751 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]CC[C@@H]1CCO[C@H](C)C1 ZINC000274642572 426809276 /nfs/dbraw/zinc/80/92/76/426809276.db2.gz ANARPIDBTXFQJL-CHWSQXEVSA-N -1 3 315.410 2.618 20 0 DFADHM CCSc1cc(CNC(=O)c2cccc(OC)c2[O-])ccn1 ZINC000189074463 426815915 /nfs/dbraw/zinc/81/59/15/426815915.db2.gz BULXFZZMBPDIRV-UHFFFAOYSA-N -1 3 318.398 2.838 20 0 DFADHM COc1cc(C(=O)N2CCCC[C@@H]2c2ccnn2C)ccc1[O-] ZINC000282142627 426837236 /nfs/dbraw/zinc/83/72/36/426837236.db2.gz PYSFNOHNBUHAST-CQSZACIVSA-N -1 3 315.373 2.502 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000246513877 426840435 /nfs/dbraw/zinc/84/04/35/426840435.db2.gz NYYIKEKYNJLGFN-JYAVWHMHSA-N -1 3 303.358 2.944 20 0 DFADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1ccoc1C(F)(F)F ZINC000290824071 426847620 /nfs/dbraw/zinc/84/76/20/426847620.db2.gz WKLWQKCPNDFNLK-UHFFFAOYSA-N -1 3 300.240 2.936 20 0 DFADHM COc1cc(C(=O)N2CCC(F)(F)[C@@H](C)C2)cc(OC)c1[O-] ZINC000290839276 426852190 /nfs/dbraw/zinc/85/21/90/426852190.db2.gz HBWFJZOMCIEJOK-VIFPVBQESA-N -1 3 315.316 2.527 20 0 DFADHM O=C([N-]CCc1c[nH]c2ccc(F)cc12)C(F)(F)C(F)F ZINC000267250906 426854933 /nfs/dbraw/zinc/85/49/33/426854933.db2.gz LANCWLVAGQFRAL-UHFFFAOYSA-N -1 3 306.234 2.866 20 0 DFADHM COC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000180387351 426856663 /nfs/dbraw/zinc/85/66/63/426856663.db2.gz SQJTZKUNLNNPEZ-UHFFFAOYSA-N -1 3 324.229 2.841 20 0 DFADHM Cc1cc(C)cc(N(C)C(=O)c2cnc3c(cnn3C)c2[O-])c1 ZINC000179442972 426790210 /nfs/dbraw/zinc/79/02/10/426790210.db2.gz UBEIBXIXNNXMOQ-UHFFFAOYSA-N -1 3 310.357 2.567 20 0 DFADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(-c2ccccn2)cc1 ZINC000290573603 426796191 /nfs/dbraw/zinc/79/61/91/426796191.db2.gz VNVGMBZNLBEDGZ-ZDUSSCGKSA-N -1 3 313.357 2.838 20 0 DFADHM C[C@H](C1CCCCC1)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000282442784 426916260 /nfs/dbraw/zinc/91/62/60/426916260.db2.gz IDSZMDKOPIEZAD-LLVKDONJSA-N -1 3 314.385 2.611 20 0 DFADHM O=c1nc([C@H]2CCCCN2Cc2cccc(C(F)F)c2)[nH][n-]1 ZINC000295362761 426926426 /nfs/dbraw/zinc/92/64/26/426926426.db2.gz RSOHNAAKGSARBA-GFCCVEGCSA-N -1 3 308.332 2.763 20 0 DFADHM COc1ccccc1CC[N-]S(=O)(=O)c1cccc(C)c1F ZINC000181185802 426922820 /nfs/dbraw/zinc/92/28/20/426922820.db2.gz YTJKYYAUNXZKCC-UHFFFAOYSA-N -1 3 323.389 2.664 20 0 DFADHM CCOc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1 ZINC000295205231 426861552 /nfs/dbraw/zinc/86/15/52/426861552.db2.gz OBJQQUXZEFUUGC-UHFFFAOYSA-N -1 3 311.325 2.705 20 0 DFADHM O=C([N-][C@H]1CCCc2ccc(NC(=O)C(F)F)cc21)C(F)F ZINC000282246734 426863483 /nfs/dbraw/zinc/86/34/83/426863483.db2.gz OAUIMKUSVYOHGE-JTQLQIEISA-N -1 3 318.270 2.649 20 0 DFADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000275165010 426863657 /nfs/dbraw/zinc/86/36/57/426863657.db2.gz VNEXCEXQOHCXQD-CHWSQXEVSA-N -1 3 314.385 2.888 20 0 DFADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(-c2ccncc2)c(C)c1 ZINC000295240169 426872717 /nfs/dbraw/zinc/87/27/17/426872717.db2.gz UWAAKJBYKYHNAS-ZDUSSCGKSA-N -1 3 320.414 2.834 20 0 DFADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(N2CCCC2)c(F)c1 ZINC000189511182 426875129 /nfs/dbraw/zinc/87/51/29/426875129.db2.gz CQRLSUMQEQOQNR-LBPRGKRZSA-N -1 3 323.368 2.516 20 0 DFADHM CCCOc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)c(C)c1 ZINC000189516757 426875617 /nfs/dbraw/zinc/87/56/17/426875617.db2.gz BOWCDMOCDSMREC-CYBMUJFWSA-N -1 3 308.378 2.873 20 0 DFADHM CCc1ccc(C(=O)N(CCO)Cc2ccc(C)cc2)c([O-])c1 ZINC000189518794 426879739 /nfs/dbraw/zinc/87/97/39/426879739.db2.gz RVUDUAMGILLEBU-UHFFFAOYSA-N -1 3 313.397 2.898 20 0 DFADHM CCOC(=O)COc1ccc(NC([O-])=NOC2CCCC2)cc1 ZINC000282341377 426886094 /nfs/dbraw/zinc/88/60/94/426886094.db2.gz WGUFXKBMYCYITB-UHFFFAOYSA-N -1 3 322.361 2.624 20 0 DFADHM CCOC(=O)COc1ccc(NC(=O)[N-]OC2CCCC2)cc1 ZINC000282341377 426886099 /nfs/dbraw/zinc/88/60/99/426886099.db2.gz WGUFXKBMYCYITB-UHFFFAOYSA-N -1 3 322.361 2.624 20 0 DFADHM CC(C)(C)CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000282362483 426891293 /nfs/dbraw/zinc/89/12/93/426891293.db2.gz YTWSVTPXDRTJGE-UHFFFAOYSA-N -1 3 316.370 2.627 20 0 DFADHM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000180860848 426894078 /nfs/dbraw/zinc/89/40/78/426894078.db2.gz DGZVGXMUTAMEOE-BJOHPYRUSA-N -1 3 303.289 2.698 20 0 DFADHM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1c([O-])cccc1O ZINC000180852496 426894534 /nfs/dbraw/zinc/89/45/34/426894534.db2.gz RBEHZILANJCOKQ-UHFFFAOYSA-N -1 3 312.325 2.625 20 0 DFADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccccc1OCC1CC1 ZINC000189694577 426925891 /nfs/dbraw/zinc/92/58/91/426925891.db2.gz CDFGNONUWQLVDI-CYBMUJFWSA-N -1 3 306.362 2.565 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccccc1OCC1CC1 ZINC000189694577 426925896 /nfs/dbraw/zinc/92/58/96/426925896.db2.gz CDFGNONUWQLVDI-CYBMUJFWSA-N -1 3 306.362 2.565 20 0 DFADHM O=C([N-]c1ccc(F)cc1F)c1cc(CN2CCCC2)on1 ZINC000291506957 426899153 /nfs/dbraw/zinc/89/91/53/426899153.db2.gz WOVTUKPFJUUJTN-UHFFFAOYSA-N -1 3 307.300 2.801 20 0 DFADHM CC(C)(C)Oc1ccccc1NC([O-])=NOC[C@@H]1CCOC1 ZINC000189605689 426901596 /nfs/dbraw/zinc/90/15/96/426901596.db2.gz HBIROYQVFPLETH-GFCCVEGCSA-N -1 3 308.378 2.954 20 0 DFADHM CC(C)(C)Oc1ccccc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189605689 426901604 /nfs/dbraw/zinc/90/16/04/426901604.db2.gz HBIROYQVFPLETH-GFCCVEGCSA-N -1 3 308.378 2.954 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC(O)(C(F)(F)F)CC1 ZINC000291524070 426905572 /nfs/dbraw/zinc/90/55/72/426905572.db2.gz VISHSYXTMQNUKJ-UHFFFAOYSA-N -1 3 323.698 2.575 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000181010684 426906220 /nfs/dbraw/zinc/90/62/20/426906220.db2.gz UWXAFWSWLYSYTD-OUAUKWLOSA-N -1 3 304.346 2.564 20 0 DFADHM [O-]c1cccc(CN2CCN(CC3CCOCC3)CC2)c1Cl ZINC000295324032 426907145 /nfs/dbraw/zinc/90/71/45/426907145.db2.gz LOICEYZQKCTUCH-UHFFFAOYSA-N -1 3 324.852 2.590 20 0 DFADHM Cc1cc(=O)c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c[nH]1 ZINC000337668135 426909778 /nfs/dbraw/zinc/90/97/78/426909778.db2.gz VNMBDSKVCZYYDZ-UHFFFAOYSA-N -1 3 300.358 2.939 20 0 DFADHM CC1(C)CN(C(=O)c2ccc(O)cc2[O-])CC2(CCCC2)O1 ZINC000189637019 426909876 /nfs/dbraw/zinc/90/98/76/426909876.db2.gz YCCAQZFJODKSRE-UHFFFAOYSA-N -1 3 305.374 2.662 20 0 DFADHM CCc1cc(C(=O)N(CCOC)Cc2ccccn2)ccc1[O-] ZINC000291553415 426911249 /nfs/dbraw/zinc/91/12/49/426911249.db2.gz WWLKNCVRKKLWFF-UHFFFAOYSA-N -1 3 314.385 2.638 20 0 DFADHM CC(C)(C)OC(=O)[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000295330735 426911365 /nfs/dbraw/zinc/91/13/65/426911365.db2.gz LXMMUPOXZNHRRI-SNVBAGLBSA-N -1 3 313.344 2.834 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000316461189 426946476 /nfs/dbraw/zinc/94/64/76/426946476.db2.gz HLSTVYDMHWDXEO-IMJJTQAJSA-N -1 3 303.402 2.856 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CC3(CCC3)[C@H]2C(C)C)c(=O)[n-]1 ZINC000295408342 426946425 /nfs/dbraw/zinc/94/64/25/426946425.db2.gz TYQVJEUVJSLRRW-MRXNPFEDSA-N -1 3 317.433 2.769 20 0 DFADHM C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000189799195 426952329 /nfs/dbraw/zinc/95/23/29/426952329.db2.gz PMSBDBMWJGGYGK-SCZZXKLOSA-N -1 3 314.179 2.908 20 0 DFADHM COc1cc(C(=O)N(C)CC2(O)CCCCCC2)ccc1[O-] ZINC000275952897 426955704 /nfs/dbraw/zinc/95/57/04/426955704.db2.gz GVBFOUBCRJVJHL-UHFFFAOYSA-N -1 3 307.390 2.558 20 0 DFADHM COc1cc(C(=O)N(C)[C@@H](CCO)c2ccccc2)ccc1[O-] ZINC000275962396 426956727 /nfs/dbraw/zinc/95/67/27/426956727.db2.gz IIZGEZXMZUZPGH-HNNXBMFYSA-N -1 3 315.369 2.597 20 0 DFADHM [O-]c1ccc(F)c(CN2CC[C@@H](Oc3ccccn3)C2)c1F ZINC000295448670 426961792 /nfs/dbraw/zinc/96/17/92/426961792.db2.gz VBSYOUSMLDTNCH-LLVKDONJSA-N -1 3 306.312 2.719 20 0 DFADHM CCOC(=O)[C@@H](CC)N(C(=O)c1cc(C)ccc1[O-])C1CC1 ZINC000276140543 426994341 /nfs/dbraw/zinc/99/43/41/426994341.db2.gz BDPJJRVIIVYXAQ-CQSZACIVSA-N -1 3 305.374 2.647 20 0 DFADHM CCn1nc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c2ccccc21 ZINC000319545623 426963606 /nfs/dbraw/zinc/96/36/06/426963606.db2.gz NZAQNGUKPYVJPB-CHWSQXEVSA-N -1 3 301.390 2.599 20 0 DFADHM CCCCCc1nnc([N-]C(=O)c2cn(C(C)(C)C)nn2)s1 ZINC000189883983 426971435 /nfs/dbraw/zinc/97/14/35/426971435.db2.gz JBIOQGMLKJEUKZ-UHFFFAOYSA-N -1 3 322.438 2.870 20 0 DFADHM C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000295475796 426974901 /nfs/dbraw/zinc/97/49/01/426974901.db2.gz YKEXLXZIAMYQCQ-PWSUYJOCSA-N -1 3 307.781 2.957 20 0 DFADHM CC[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)O1 ZINC000268313347 426982568 /nfs/dbraw/zinc/98/25/68/426982568.db2.gz ZZKIFCUWTPABOO-SKDRFNHKSA-N -1 3 304.325 2.507 20 0 DFADHM CC(C)c1nnc(C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000283255051 426983873 /nfs/dbraw/zinc/98/38/73/426983873.db2.gz CVJXXDCOMZHSBP-UHFFFAOYSA-N -1 3 303.387 2.960 20 0 DFADHM COc1ccc(Cl)cc1CNC(=O)/C=C/c1cncc([O-])c1 ZINC000181888360 426988714 /nfs/dbraw/zinc/98/87/14/426988714.db2.gz ASMONPSSBAWNCV-GORDUTHDSA-N -1 3 318.760 2.779 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000291797474 426992005 /nfs/dbraw/zinc/99/20/05/426992005.db2.gz PLOIRRKFEPDDMB-ZJUUUORDSA-N -1 3 307.350 2.505 20 0 DFADHM O=c1nc([C@@H]2CCCCN2Cc2ccc(C(F)F)cc2)[nH][n-]1 ZINC000295368521 426928376 /nfs/dbraw/zinc/92/83/76/426928376.db2.gz SDUUXDUPWGRKAQ-LBPRGKRZSA-N -1 3 308.332 2.763 20 0 DFADHM Cc1noc([C@@H]2CCCN(Cc3c(F)ccc([O-])c3F)C2)n1 ZINC000295370479 426928620 /nfs/dbraw/zinc/92/86/20/426928620.db2.gz 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ZINC000181950493 426997888 /nfs/dbraw/zinc/99/78/88/426997888.db2.gz MWTXZHBRDZVAHD-UHFFFAOYSA-N -1 3 312.369 2.790 20 0 DFADHM O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1cccc([O-])c1 ZINC000181950703 426998446 /nfs/dbraw/zinc/99/84/46/426998446.db2.gz FTLFADOGHQUFKK-UHFFFAOYSA-N -1 3 318.716 2.629 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C[C@H](C)c1ccccc1 ZINC000268390598 427006128 /nfs/dbraw/zinc/00/61/28/427006128.db2.gz MEGJBNNNAOOHPJ-NSHDSACASA-N -1 3 311.428 2.839 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000291859261 427010880 /nfs/dbraw/zinc/01/08/80/427010880.db2.gz GKSLRWBPLGJPOU-INIZCTEOSA-N -1 3 314.385 2.755 20 0 DFADHM COc1ncccc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182143099 427017967 /nfs/dbraw/zinc/01/79/67/427017967.db2.gz TXPSLOAYONRJKK-UHFFFAOYSA-N -1 3 318.383 2.923 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCc2c3ccccc3[nH]c2C1 ZINC000182164935 427019186 /nfs/dbraw/zinc/01/91/86/427019186.db2.gz QSEULKNHLSATID-AATRIKPKSA-N -1 3 319.364 2.867 20 0 DFADHM 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ZINC000292077250 427080596 /nfs/dbraw/zinc/08/05/96/427080596.db2.gz PHYOAHBYOUMCKW-UHFFFAOYSA-N -1 3 302.172 2.862 20 0 DFADHM Cc1cnc(Br)c(NC(=O)[N-]OCC(C)C)c1 ZINC000292077250 427080602 /nfs/dbraw/zinc/08/06/02/427080602.db2.gz PHYOAHBYOUMCKW-UHFFFAOYSA-N -1 3 302.172 2.862 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]CC(C)(C)C1CCC1 ZINC000296128028 427083322 /nfs/dbraw/zinc/08/33/22/427083322.db2.gz RGQFFUSWGVDGHQ-UHFFFAOYSA-N -1 3 303.449 2.861 20 0 DFADHM COc1ccccc1O[C@H](C)CNC(=O)c1cccc([O-])c1 ZINC000182521018 427092593 /nfs/dbraw/zinc/09/25/93/427092593.db2.gz FNQFDCOQUOASML-GFCCVEGCSA-N -1 3 301.342 2.598 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)C[C@H]2CCCC2(F)F)s1 ZINC000296153019 427093163 /nfs/dbraw/zinc/09/31/63/427093163.db2.gz GXLQKXKXTYJEKP-NXEZZACHSA-N -1 3 324.418 2.867 20 0 DFADHM C[C@@H]1CSCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000190396773 427093588 /nfs/dbraw/zinc/09/35/88/427093588.db2.gz XOGFWQHMEPTROV-NSHDSACASA-N -1 3 305.399 2.684 20 0 DFADHM CC(C)c1nc([C@@H]2CCCN2C(=O)c2cccc([O-])c2)no1 ZINC000182522787 427094115 /nfs/dbraw/zinc/09/41/15/427094115.db2.gz ATSZZQJVWJYKOW-ZDUSSCGKSA-N -1 3 301.346 2.876 20 0 DFADHM O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc2c(c1[O-])CCCC2 ZINC000249204890 427098823 /nfs/dbraw/zinc/09/88/23/427098823.db2.gz RPBCVIPXROTNPN-NUEKZKHPSA-N -1 3 301.386 2.568 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC ZINC000292129390 427101560 /nfs/dbraw/zinc/10/15/60/427101560.db2.gz PNTUITXSVLVYPV-WHOFXGATSA-N -1 3 307.390 2.901 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000182567614 427103603 /nfs/dbraw/zinc/10/36/03/427103603.db2.gz SYXPJCAVHQNRIX-KRWDZBQOSA-N -1 3 319.401 2.583 20 0 DFADHM COc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)c(C)n1 ZINC000182610212 427109913 /nfs/dbraw/zinc/10/99/13/427109913.db2.gz YVLYUUVOTYBFLO-UHFFFAOYSA-N -1 3 306.749 2.939 20 0 DFADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc2[nH]c(C3CCC3)nc2c1 ZINC000283998157 427115767 /nfs/dbraw/zinc/11/57/67/427115767.db2.gz IGEYBYMPMXDLTO-JTQLQIEISA-N -1 3 323.418 2.607 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000190489979 427125917 /nfs/dbraw/zinc/12/59/17/427125917.db2.gz KSYMCTMQJUMVHQ-ZIAGYGMSSA-N -1 3 321.417 2.852 20 0 DFADHM CCCN(Cc1ccc(F)cc1)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000268821034 427128047 /nfs/dbraw/zinc/12/80/47/427128047.db2.gz JQWILUMWXBVYRW-UHFFFAOYSA-N -1 3 303.337 2.682 20 0 DFADHM CCc1cc(C(=O)N[C@H](C)CC(=O)c2ccco2)ccc1[O-] ZINC000292199617 427128249 /nfs/dbraw/zinc/12/82/49/427128249.db2.gz PFUKOTHQKDUASO-LLVKDONJSA-N -1 3 301.342 2.939 20 0 DFADHM CC(C)OCc1cc(NC(=O)c2cc3n(n2)CCC3)ccc1[O-] ZINC000296273010 427132854 /nfs/dbraw/zinc/13/28/54/427132854.db2.gz YIAVDYUEUAMEGT-UHFFFAOYSA-N -1 3 315.373 2.712 20 0 DFADHM CC[C@@H](C)[C@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000182731744 427135112 /nfs/dbraw/zinc/13/51/12/427135112.db2.gz OOUFVEHGUISBJC-MNOVXSKESA-N -1 3 300.424 2.913 20 0 DFADHM Cc1noc([C@H]2CCCN(C(=O)c3cc([O-])ccc3Cl)C2)n1 ZINC000277261356 427141560 /nfs/dbraw/zinc/14/15/60/427141560.db2.gz ANHIJJLQCQRRTQ-JTQLQIEISA-N -1 3 321.764 2.757 20 0 DFADHM COc1cc(C(=O)[N-]c2ccc(OC(F)F)cc2F)on1 ZINC000338101452 427142639 /nfs/dbraw/zinc/14/26/39/427142639.db2.gz TVKLENNQCAILBY-UHFFFAOYSA-N -1 3 302.208 2.676 20 0 DFADHM Cn1[n-]c(CN[C@@H](c2cccc(Cl)c2)C2CCCC2)nc1=O ZINC000329610967 427152349 /nfs/dbraw/zinc/15/23/49/427152349.db2.gz RGVPFLCEMZGGJJ-OAHLLOKOSA-N -1 3 320.824 2.783 20 0 DFADHM O=C(NC[C@@H]1CCCSC1)c1cc(=O)c2ccccc2[n-]1 ZINC000292268461 427152922 /nfs/dbraw/zinc/15/29/22/427152922.db2.gz KWJSFQMXODGNRQ-NSHDSACASA-N -1 3 302.399 2.813 20 0 DFADHM CC[C@H]1OCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000277294542 427154242 /nfs/dbraw/zinc/15/42/42/427154242.db2.gz OODFYKFXENWCQU-WCQYABFASA-N -1 3 318.352 2.755 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000112041131 271011481 /nfs/dbraw/zinc/01/14/81/271011481.db2.gz XOIISQVTKDXQBN-GFCCVEGCSA-N -1 3 307.357 2.684 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000112041131 271011485 /nfs/dbraw/zinc/01/14/85/271011485.db2.gz XOIISQVTKDXQBN-GFCCVEGCSA-N -1 3 307.357 2.684 20 0 DFADHM O=C(CNC(=O)c1ccccc1[O-])Nc1cccc2ccccc21 ZINC000156370290 271057760 /nfs/dbraw/zinc/05/77/60/271057760.db2.gz LTFXJGHQOOBWDM-UHFFFAOYSA-N -1 3 320.348 2.914 20 0 DFADHM Cc1nncn1-c1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000156821295 271061603 /nfs/dbraw/zinc/06/16/03/271061603.db2.gz NGDVZRUXYFJYBJ-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM Cn1cnnc1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000157060775 271064273 /nfs/dbraw/zinc/06/42/73/271064273.db2.gz OZHGIDAEAVKZHI-UHFFFAOYSA-N -1 3 322.368 2.558 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)Cc3ccccc3C)[n-]c21 ZINC000157812931 271069733 /nfs/dbraw/zinc/06/97/33/271069733.db2.gz JTCIMSTUFQOGDY-UHFFFAOYSA-N -1 3 323.352 2.839 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccccc3C)nc21 ZINC000157812931 271069737 /nfs/dbraw/zinc/06/97/37/271069737.db2.gz JTCIMSTUFQOGDY-UHFFFAOYSA-N -1 3 323.352 2.839 20 0 DFADHM O=C(NCCOc1ccccc1Cl)c1ccc(O)cc1[O-] ZINC000157819684 271070963 /nfs/dbraw/zinc/07/09/63/271070963.db2.gz YMIHQENOLJVITP-UHFFFAOYSA-N -1 3 307.733 2.560 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)c3cccs3)[n-]c21 ZINC000157787066 271071027 /nfs/dbraw/zinc/07/10/27/271071027.db2.gz IPYCOYOPDAXXQH-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccs3)nc21 ZINC000157787066 271071030 /nfs/dbraw/zinc/07/10/30/271071030.db2.gz IPYCOYOPDAXXQH-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM CC[C@@H]1CN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C[C@H](C)O1 ZINC000163453436 271089887 /nfs/dbraw/zinc/08/98/87/271089887.db2.gz HCSUWJUVRLYBEM-QWHCGFSZSA-N -1 3 314.385 2.888 20 0 DFADHM CN(C)[C@H](CNC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000163603251 271090762 /nfs/dbraw/zinc/09/07/62/271090762.db2.gz HURFQLNSIBNJRU-CQSZACIVSA-N -1 3 302.349 2.564 20 0 DFADHM C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(O)cc1[O-] ZINC000182887512 427164119 /nfs/dbraw/zinc/16/41/19/427164119.db2.gz 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427179668 /nfs/dbraw/zinc/17/96/68/427179668.db2.gz JODWXRCLUQSGCY-HNNXBMFYSA-N -1 3 305.374 2.588 20 0 DFADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1c(C)cccc1[O-] ZINC000183038514 427187332 /nfs/dbraw/zinc/18/73/32/427187332.db2.gz JORODFQZIMAKGX-UHFFFAOYSA-N -1 3 312.329 2.650 20 0 DFADHM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccccc1[O-] ZINC000292508927 427190312 /nfs/dbraw/zinc/19/03/12/427190312.db2.gz IBOHYBCCXAJVEM-ZDUSSCGKSA-N -1 3 314.360 2.882 20 0 DFADHM CC[C@](C)([N-]S(=O)(=O)CCC(F)(F)F)c1nccs1 ZINC000284371590 427192858 /nfs/dbraw/zinc/19/28/58/427192858.db2.gz RIKVJEJRHQTWIF-VIFPVBQESA-N -1 3 316.370 2.640 20 0 DFADHM O=c1[n-]nc([C@H]2CCCN([C@H]3CCCc4ccc(F)cc43)C2)o1 ZINC000284387130 427193221 /nfs/dbraw/zinc/19/32/21/427193221.db2.gz VLSZDSBXZWWVLP-WFASDCNBSA-N -1 3 317.364 2.759 20 0 DFADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1cc(C)oc1C ZINC000183121092 427204008 /nfs/dbraw/zinc/20/40/08/427204008.db2.gz QUPIFJJTMWRCRU-UHFFFAOYSA-N -1 3 324.402 2.559 20 0 DFADHM COC(=O)[C@H](CC(C)C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000284984518 427204476 /nfs/dbraw/zinc/20/44/76/427204476.db2.gz BFHZNCWFLJLHJT-NSHDSACASA-N -1 3 306.391 2.547 20 0 DFADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@H]1CCOC1 ZINC000330270417 427210281 /nfs/dbraw/zinc/21/02/81/427210281.db2.gz UDUJIWPPZGVJAZ-LLVKDONJSA-N -1 3 313.357 2.550 20 0 DFADHM CCOC(=O)Cc1nnc([N-]C(=O)c2occc2C(C)C)s1 ZINC000285394437 427220104 /nfs/dbraw/zinc/22/01/04/427220104.db2.gz VHXHEDMQLGUPHR-UHFFFAOYSA-N -1 3 323.374 2.612 20 0 DFADHM CC[C@](C)(NC(=O)/C=C\c1cncc([O-])c1)c1nccs1 ZINC000254926037 427224468 /nfs/dbraw/zinc/22/44/68/427224468.db2.gz BUNWGSYOGXBTFM-XVWMLYKFSA-N -1 3 303.387 2.699 20 0 DFADHM CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc3n[n-]nc3c2)CCO1 ZINC000183228316 427230564 /nfs/dbraw/zinc/23/05/64/427230564.db2.gz GQVYGUJLGAMGJR-XJKSGUPXSA-N -1 3 316.405 2.672 20 0 DFADHM CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000183248864 427232609 /nfs/dbraw/zinc/23/26/09/427232609.db2.gz NWYUYAURKXMUEY-AWEZNQCLSA-N 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CC(=O)Nc1cc(NC(=O)/C=C\c2cncc([O-])c2)ccc1F ZINC000255915631 427302281 /nfs/dbraw/zinc/30/22/81/427302281.db2.gz SBUBKPWERKWGDB-DJWKRKHSSA-N -1 3 315.304 2.537 20 0 DFADHM Cc1cc(NC(=O)c2n[n-]nc2-c2ccccc2)cc2n[nH]cc21 ZINC000338399314 427302316 /nfs/dbraw/zinc/30/23/16/427302316.db2.gz BJIPMRAYPQUGAV-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2c(C)cccc2C)nc1C ZINC000330852659 427309289 /nfs/dbraw/zinc/30/92/89/427309289.db2.gz GBHCMFYQCURYBH-ZDUSSCGKSA-N -1 3 321.446 2.868 20 0 DFADHM COC(=O)[C@H]1CC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000285840780 427352618 /nfs/dbraw/zinc/35/26/18/427352618.db2.gz SVYQKCDYFJXGLQ-BDAKNGLRSA-N -1 3 317.263 2.549 20 0 DFADHM Cc1ccc(NC(=O)[N-]OCC2CC2)cc1C(=O)NC(C)C ZINC000293406937 427316020 /nfs/dbraw/zinc/31/60/20/427316020.db2.gz RTPZHPDNEYTTLR-UHFFFAOYSA-N -1 3 305.378 2.596 20 0 DFADHM CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(F)ccc2[O-])n[nH]1 ZINC000277783936 427316964 /nfs/dbraw/zinc/31/69/64/427316964.db2.gz 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322.339 2.866 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2Cl)n1)c1cc(F)c[nH]1 ZINC000340437790 427847070 /nfs/dbraw/zinc/84/70/70/427847070.db2.gz ZISNMXIDXLJBOB-UHFFFAOYSA-N -1 3 305.700 2.845 20 0 DFADHM Cc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)[n-]c(=O)n1 ZINC000340431721 427847952 /nfs/dbraw/zinc/84/79/52/427847952.db2.gz IQFDEEGULBTKET-UHFFFAOYSA-N -1 3 309.728 2.555 20 0 DFADHM O=C(Nc1cnn(CC(F)F)c1)c1cc([O-])ccc1Cl ZINC000340442929 427850526 /nfs/dbraw/zinc/85/05/26/427850526.db2.gz RBFMUYGUXQRIQC-UHFFFAOYSA-N -1 3 301.680 2.760 20 0 DFADHM O=S(=O)([N-]c1c(F)c(F)cc(F)c1F)c1cncc(F)c1 ZINC000359444032 427853615 /nfs/dbraw/zinc/85/36/15/427853615.db2.gz BELKSLAJAGOQAX-UHFFFAOYSA-N -1 3 324.230 2.578 20 0 DFADHM Cc1cc(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2OC(F)F)c1 ZINC000337348436 427856697 /nfs/dbraw/zinc/85/66/97/427856697.db2.gz ZARDEEDAVAUTON-RYUDHWBXSA-N -1 3 323.336 2.573 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccsc3)no2)cc1 ZINC000345693054 427862342 /nfs/dbraw/zinc/86/23/42/427862342.db2.gz 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427876386 /nfs/dbraw/zinc/87/63/86/427876386.db2.gz VEYHEMZPMIYSBF-HNNXBMFYSA-N -1 3 310.332 2.857 20 0 DFADHM COC[C@H](Nc1nc2nncc-2c(O)[n-]1)c1ccc(Cl)cc1 ZINC000302861952 427881031 /nfs/dbraw/zinc/88/10/31/427881031.db2.gz QPWSSLUYUGIRAY-NSHDSACASA-N -1 3 319.752 2.512 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000339960624 427888760 /nfs/dbraw/zinc/88/87/60/427888760.db2.gz UIBADODCHCGJHC-CQSZACIVSA-N -1 3 313.328 2.908 20 0 DFADHM CN(CCOCC1CC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345749036 427889621 /nfs/dbraw/zinc/88/96/21/427889621.db2.gz YONXOXCLIGOFGS-UHFFFAOYSA-N -1 3 309.381 2.739 20 0 DFADHM CC(C)(COCc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000337407157 427889954 /nfs/dbraw/zinc/88/99/54/427889954.db2.gz NIEJCUBZPFWRSU-UHFFFAOYSA-N -1 3 300.358 2.969 20 0 DFADHM O=C(c1csc(=O)[n-]1)N(CCc1ccc(F)cc1)C1CC1 ZINC000349884922 427890303 /nfs/dbraw/zinc/89/03/03/427890303.db2.gz RSJHEZHKHDKMGL-UHFFFAOYSA-N -1 3 306.362 2.835 20 0 DFADHM C[C@]1(CO)CCC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345759720 427891031 /nfs/dbraw/zinc/89/10/31/427891031.db2.gz QHKBGTSHJGOYBK-DOTOQJQBSA-N -1 3 309.381 2.521 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2cccc(C[S@](C)=O)c2)c1 ZINC000339983713 427895287 /nfs/dbraw/zinc/89/52/87/427895287.db2.gz XFGLUCUIGVMJLG-NRFANRHFSA-N -1 3 303.383 2.831 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@@H]1Cc1ccccc1 ZINC000349917357 427896213 /nfs/dbraw/zinc/89/62/13/427896213.db2.gz ZNWLVGYPNKGECJ-OAHLLOKOSA-N -1 3 318.376 2.985 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000345783283 427903456 /nfs/dbraw/zinc/90/34/56/427903456.db2.gz KCJPDUPVLSEZPA-UWVGGRQHSA-N -1 3 310.781 2.584 20 0 DFADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000359562711 427913164 /nfs/dbraw/zinc/91/31/64/427913164.db2.gz GTZTVDUOXOTAMD-PRHODGIISA-N -1 3 324.331 2.750 20 0 DFADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000359562711 427913169 /nfs/dbraw/zinc/91/31/69/427913169.db2.gz GTZTVDUOXOTAMD-PRHODGIISA-N -1 3 324.331 2.750 20 0 DFADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000359562711 427913175 /nfs/dbraw/zinc/91/31/75/427913175.db2.gz GTZTVDUOXOTAMD-PRHODGIISA-N -1 3 324.331 2.750 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCc3cc(F)cc(C)c3C2)n1 ZINC000337459851 427914762 /nfs/dbraw/zinc/91/47/62/427914762.db2.gz OVFOHXRIWNQQBI-UHFFFAOYSA-N -1 3 301.365 2.750 20 0 DFADHM Cc1ccc(C)c(Cc2noc(Cc3c(C)nc(C)[n-]c3=O)n2)c1 ZINC000355845676 427918765 /nfs/dbraw/zinc/91/87/65/427918765.db2.gz RTUJVWZGLFQSHJ-UHFFFAOYSA-N -1 3 324.384 2.980 20 0 DFADHM COc1ccc2nc(CNC[C@@H](C(=O)[O-])C(C)C)sc2c1 ZINC000340679029 427923773 /nfs/dbraw/zinc/92/37/73/427923773.db2.gz OHCVGLDXISRXDC-LLVKDONJSA-N -1 3 308.403 2.751 20 0 DFADHM O=c1[n-]nc(C2CCN(C[C@H]3CCC4(CCCCC4)O3)CC2)o1 ZINC000340216922 427955871 /nfs/dbraw/zinc/95/58/71/427955871.db2.gz FRTJWHWDEWWIIS-CQSZACIVSA-N -1 3 321.421 2.837 20 0 DFADHM COc1cc(C)cc(NC(=O)c2cc(F)cc3[n-]nnc32)c1C ZINC000337554873 427956496 /nfs/dbraw/zinc/95/64/96/427956496.db2.gz IVZFJYAZDGYYBI-UHFFFAOYSA-N -1 3 314.320 2.975 20 0 DFADHM COc1cc(C)cc(NC(=O)c2cc(F)cc3nn[n-]c32)c1C ZINC000337554873 427956498 /nfs/dbraw/zinc/95/64/98/427956498.db2.gz IVZFJYAZDGYYBI-UHFFFAOYSA-N -1 3 314.320 2.975 20 0 DFADHM COc1cc(C)cc(NC(=O)c2cc(F)cc3n[n-]nc32)c1C ZINC000337554873 427956502 /nfs/dbraw/zinc/95/65/02/427956502.db2.gz IVZFJYAZDGYYBI-UHFFFAOYSA-N -1 3 314.320 2.975 20 0 DFADHM O=S(=O)(CCC1CC1)[N-]c1cnc(-c2ccccc2)nc1 ZINC000356040135 427995256 /nfs/dbraw/zinc/99/52/56/427995256.db2.gz XSJCNMXGAJGXFG-UHFFFAOYSA-N -1 3 303.387 2.685 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000345942064 427959491 /nfs/dbraw/zinc/95/94/91/427959491.db2.gz YZYZSCVBWRTTIU-LXZKKBNFSA-N -1 3 321.392 2.928 20 0 DFADHM O=C(Nc1nccn1-c1ccccc1)c1cc(F)cc2[n-]nnc21 ZINC000337575539 427966020 /nfs/dbraw/zinc/96/60/20/427966020.db2.gz WHKQFSHZDUMRKI-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(Nc1nccn1-c1ccccc1)c1cc(F)cc2nn[n-]c21 ZINC000337575539 427966026 /nfs/dbraw/zinc/96/60/26/427966026.db2.gz WHKQFSHZDUMRKI-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(Nc1nccn1-c1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000337575539 427966032 /nfs/dbraw/zinc/96/60/32/427966032.db2.gz WHKQFSHZDUMRKI-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(NCc1cccc2cc[nH]c21)c1cc(F)cc2nn[n-]c21 ZINC000337581111 427968715 /nfs/dbraw/zinc/96/87/15/427968715.db2.gz BVOUQCDTYNKTQW-UHFFFAOYSA-N -1 3 309.304 2.508 20 0 DFADHM O=C(NCc1cccc2cc[nH]c21)c1cc(F)cc2[n-]nnc21 ZINC000337581111 427968720 /nfs/dbraw/zinc/96/87/20/427968720.db2.gz BVOUQCDTYNKTQW-UHFFFAOYSA-N -1 3 309.304 2.508 20 0 DFADHM O=C(NCc1cccc2cc[nH]c21)c1cc(F)cc2n[n-]nc21 ZINC000337581111 427968723 /nfs/dbraw/zinc/96/87/23/427968723.db2.gz BVOUQCDTYNKTQW-UHFFFAOYSA-N -1 3 309.304 2.508 20 0 DFADHM CSc1nnc(NC(=O)Cc2csc3ccccc23)[n-]1 ZINC000340265694 427969774 /nfs/dbraw/zinc/96/97/74/427969774.db2.gz 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/nfs/dbraw/zinc/97/07/32/427970732.db2.gz KADWWUJBKVMNSY-RKDXNWHRSA-N -1 3 308.794 2.922 20 0 DFADHM CCn1c(C(=O)Nc2nnc(SC)[n-]2)cc2ccccc21 ZINC000340267610 427972788 /nfs/dbraw/zinc/97/27/88/427972788.db2.gz KDGCKGJXQAMSTH-UHFFFAOYSA-N -1 3 301.375 2.754 20 0 DFADHM CCn1c(C(=O)Nc2nc(SC)n[n-]2)cc2ccccc21 ZINC000340267610 427972794 /nfs/dbraw/zinc/97/27/94/427972794.db2.gz KDGCKGJXQAMSTH-UHFFFAOYSA-N -1 3 301.375 2.754 20 0 DFADHM CCn1c(C(=O)Nc2n[n-]c(SC)n2)cc2ccccc21 ZINC000340267610 427972798 /nfs/dbraw/zinc/97/27/98/427972798.db2.gz KDGCKGJXQAMSTH-UHFFFAOYSA-N -1 3 301.375 2.754 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCCC[C@@H]1C(F)F ZINC000337596917 427974108 /nfs/dbraw/zinc/97/41/08/427974108.db2.gz PKPGHWYOQXLZMK-CYBMUJFWSA-N -1 3 306.312 2.788 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2ccnc(N3CC[C@@H](C)C3)c2)n1 ZINC000345986755 427977418 /nfs/dbraw/zinc/97/74/18/427977418.db2.gz OGMRCXPPVRQLEP-LLVKDONJSA-N -1 3 312.373 2.589 20 0 DFADHM O=C(N[C@H]1C[C@H]1c1ccc(F)cc1)c1c[n-]nc1-c1ccccn1 ZINC000356030428 427989593 /nfs/dbraw/zinc/98/95/93/427989593.db2.gz BBZUGEASWVNLPD-BBRMVZONSA-N -1 3 322.343 2.897 20 0 DFADHM O=C(Nc1ccccc1[O-])c1ccc(-c2ccccn2)[nH]c1=O ZINC000340101331 427927700 /nfs/dbraw/zinc/92/77/00/427927700.db2.gz DRKRQLMZLSWNPI-UHFFFAOYSA-N -1 3 307.309 2.807 20 0 DFADHM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cc(F)cc2[n-]nnc21 ZINC000337487006 427929930 /nfs/dbraw/zinc/92/99/30/427929930.db2.gz IZQDDRFTDNDYEB-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cc(F)cc2nn[n-]c21 ZINC000337487006 427929935 /nfs/dbraw/zinc/92/99/35/427929935.db2.gz IZQDDRFTDNDYEB-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cc(F)cc2n[n-]nc21 ZINC000337487006 427929938 /nfs/dbraw/zinc/92/99/38/427929938.db2.gz IZQDDRFTDNDYEB-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM CCc1ccccc1NC(=O)CN(C)Cc1nc(C)ccc1[O-] ZINC000350070236 427931589 /nfs/dbraw/zinc/93/15/89/427931589.db2.gz CFZBONWVKNSWTR-UHFFFAOYSA-N -1 3 313.401 2.729 20 0 DFADHM CC(C)(NC(=O)c1cc(F)cc2nn[n-]c21)c1cccc(F)c1 ZINC000337491491 427932566 /nfs/dbraw/zinc/93/25/66/427932566.db2.gz FPKMAIOYCHLJNR-UHFFFAOYSA-N -1 3 316.311 2.901 20 0 DFADHM CC(C)(NC(=O)c1cc(F)cc2[n-]nnc21)c1cccc(F)c1 ZINC000337491491 427932571 /nfs/dbraw/zinc/93/25/71/427932571.db2.gz FPKMAIOYCHLJNR-UHFFFAOYSA-N -1 3 316.311 2.901 20 0 DFADHM CC(C)(NC(=O)c1cc(F)cc2n[n-]nc21)c1cccc(F)c1 ZINC000337491491 427932586 /nfs/dbraw/zinc/93/25/86/427932586.db2.gz FPKMAIOYCHLJNR-UHFFFAOYSA-N -1 3 316.311 2.901 20 0 DFADHM CCn1c2ccccc2nc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337502645 427934967 /nfs/dbraw/zinc/93/49/67/427934967.db2.gz MIFVGPHSOFZCCO-UHFFFAOYSA-N -1 3 324.319 2.719 20 0 DFADHM CCn1c2ccccc2nc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337502645 427934972 /nfs/dbraw/zinc/93/49/72/427934972.db2.gz MIFVGPHSOFZCCO-UHFFFAOYSA-N -1 3 324.319 2.719 20 0 DFADHM CCn1c2ccccc2nc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337502645 427934976 /nfs/dbraw/zinc/93/49/76/427934976.db2.gz MIFVGPHSOFZCCO-UHFFFAOYSA-N -1 3 324.319 2.719 20 0 DFADHM C[C@H](N=c1nc2[nH][n-]cc-2c(N)n1)c1ccc(F)c2ccccc21 ZINC000340793523 427937850 /nfs/dbraw/zinc/93/78/50/427937850.db2.gz IQWXHQJOWQMDPJ-VIFPVBQESA-N -1 3 322.347 2.774 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@@H](c3ccccc3F)C2)on1 ZINC000337513837 427938556 /nfs/dbraw/zinc/93/85/56/427938556.db2.gz HBKLFKANNHXDOX-QWHCGFSZSA-N -1 3 317.364 2.939 20 0 DFADHM CCOC[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000346035903 427994759 /nfs/dbraw/zinc/99/47/59/427994759.db2.gz LTZLCAYDSGXIPM-CQSZACIVSA-N -1 3 309.381 2.739 20 0 DFADHM Fc1ccc2c(c1)C[C@@H](c1nc(-c3ccc4n[n-]nc4c3)no1)O2 ZINC000350487111 427941424 /nfs/dbraw/zinc/94/14/24/427941424.db2.gz PCRFKFRMXPEJCT-AWEZNQCLSA-N -1 3 323.287 2.823 20 0 DFADHM Cc1ccnc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000345900664 427942566 /nfs/dbraw/zinc/94/25/66/427942566.db2.gz JUTJZBBAKTYICR-UHFFFAOYSA-N -1 3 304.313 2.892 20 0 DFADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCOCC1 ZINC000345895478 427943306 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CCc1ccc(-c2nc([C@@H]3CN(C(C)C)CCO3)no2)c([O-])c1 ZINC000350578254 427949804 /nfs/dbraw/zinc/94/98/04/427949804.db2.gz LTWUGJCPWZFQTM-HNNXBMFYSA-N -1 3 317.389 2.786 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3ccnc(N(C)C)c3)n[n-]2)o1 ZINC000359644142 427951654 /nfs/dbraw/zinc/95/16/54/427951654.db2.gz ZGYZRMQZYSEWTI-UHFFFAOYSA-N -1 3 311.345 2.691 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3ccnc(N(C)C)c3)[n-]n2)o1 ZINC000359644142 427951657 /nfs/dbraw/zinc/95/16/57/427951657.db2.gz ZGYZRMQZYSEWTI-UHFFFAOYSA-N -1 3 311.345 2.691 20 0 DFADHM COc1cc(NC(=O)c2cc(F)cc3[n-]nnc32)c(C)cc1C ZINC000337544884 427952586 /nfs/dbraw/zinc/95/25/86/427952586.db2.gz BZRYGRSHWGWKGX-UHFFFAOYSA-N -1 3 314.320 2.975 20 0 DFADHM COc1cc(NC(=O)c2cc(F)cc3nn[n-]c32)c(C)cc1C ZINC000337544884 427952591 /nfs/dbraw/zinc/95/25/91/427952591.db2.gz BZRYGRSHWGWKGX-UHFFFAOYSA-N -1 3 314.320 2.975 20 0 DFADHM COc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)c(C)cc1C ZINC000337544884 427952595 /nfs/dbraw/zinc/95/25/95/427952595.db2.gz 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Cc1ccc(F)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1F ZINC000347025642 428411852 /nfs/dbraw/zinc/41/18/52/428411852.db2.gz VRGUXDGONKPZOQ-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1F ZINC000347025642 428411857 /nfs/dbraw/zinc/41/18/57/428411857.db2.gz VRGUXDGONKPZOQ-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(CN(C)C[C@@H](C)C(=O)[O-])sc1Br ZINC000414660598 428367058 /nfs/dbraw/zinc/36/70/58/428367058.db2.gz VLDZEOSDYQTCJM-MRVPVSSYSA-N -1 3 306.225 2.972 20 0 DFADHM CC(C)c1nn(-c2ccccc2)cc1CN(C)CCC(=O)[O-] ZINC000414671911 428369540 /nfs/dbraw/zinc/36/95/40/428369540.db2.gz BQIVWBFAIPRCLB-UHFFFAOYSA-N -1 3 301.390 2.902 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@@]3(C)C(C)C)[n-]c21 ZINC000360635176 428375821 /nfs/dbraw/zinc/37/58/21/428375821.db2.gz JUWBLTXYJKHYKH-GTNSWQLSSA-N -1 3 315.373 2.970 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@@]3(C)C(C)C)nc21 ZINC000360635176 428375827 /nfs/dbraw/zinc/37/58/27/428375827.db2.gz 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428458809 /nfs/dbraw/zinc/45/88/09/428458809.db2.gz URYSCYQRRPXOMM-SECBINFHSA-N -1 3 312.295 2.552 20 0 DFADHM C[C@H]1C[C@@H]1c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)o1 ZINC000372142944 428419911 /nfs/dbraw/zinc/41/99/11/428419911.db2.gz GSNZHCXMYGSYEY-WDSKDSINSA-N -1 3 300.240 2.792 20 0 DFADHM C[C@H]1C[C@@H]1c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)o1 ZINC000372142944 428419916 /nfs/dbraw/zinc/41/99/16/428419916.db2.gz GSNZHCXMYGSYEY-WDSKDSINSA-N -1 3 300.240 2.792 20 0 DFADHM Cc1c[nH]c(=O)n1-c1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000378568896 428428001 /nfs/dbraw/zinc/42/80/01/428428001.db2.gz FPHIZPRRSBTHRV-UHFFFAOYSA-N -1 3 309.325 2.844 20 0 DFADHM O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccc2ccccc2c1[O-] ZINC000372333177 428428750 /nfs/dbraw/zinc/42/87/50/428428750.db2.gz NGNDFAXYYQIXJC-GFCCVEGCSA-N -1 3 307.353 2.556 20 0 DFADHM O=C(N[C@@H]1CCc2[nH]cnc2C1)c1ccc2ccccc2c1[O-] ZINC000372333177 428428756 /nfs/dbraw/zinc/42/87/56/428428756.db2.gz NGNDFAXYYQIXJC-GFCCVEGCSA-N -1 3 307.353 2.556 20 0 DFADHM O=C(c1ccccc1[O-])N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000378584908 428432143 /nfs/dbraw/zinc/43/21/43/428432143.db2.gz CDGOPDGYRIBHTP-CQSZACIVSA-N -1 3 307.353 2.829 20 0 DFADHM CCc1csc(-n2cc(C(=O)Nc3ccccc3[O-])cn2)n1 ZINC000342880789 428480644 /nfs/dbraw/zinc/48/06/44/428480644.db2.gz NRDJKDMREIDYJY-UHFFFAOYSA-N -1 3 314.370 2.849 20 0 DFADHM COc1cc2c(cc1CN1CC[C@H](C(=O)[O-])[C@H](C)C1)O[C@@H](C)C2 ZINC000391978891 428481611 /nfs/dbraw/zinc/48/16/11/428481611.db2.gz NLTXCTVAZRLUQG-XUJVJEKNSA-N -1 3 319.401 2.561 20 0 DFADHM O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)c1c[n-]nn1 ZINC000360908790 428487189 /nfs/dbraw/zinc/48/71/89/428487189.db2.gz HWLAONBMXPBCKG-UHFFFAOYSA-N -1 3 324.171 2.565 20 0 DFADHM O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)c1cnn[n-]1 ZINC000360908790 428487194 /nfs/dbraw/zinc/48/71/94/428487194.db2.gz HWLAONBMXPBCKG-UHFFFAOYSA-N -1 3 324.171 2.565 20 0 DFADHM O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)c1cn[n-]n1 ZINC000360908790 428487199 /nfs/dbraw/zinc/48/71/99/428487199.db2.gz 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/nfs/dbraw/zinc/52/54/33/428525433.db2.gz FSJIEPMYUHXFOV-VHSXEESVSA-N -1 3 302.212 2.651 20 0 DFADHM COc1cc(NC(C)=O)ccc1NC(=O)c1cccc([O-])c1 ZINC000357419181 428525768 /nfs/dbraw/zinc/52/57/68/428525768.db2.gz BCCKFNUKRVQHEN-UHFFFAOYSA-N -1 3 300.314 2.612 20 0 DFADHM [O-]c1ccc(F)c(CN2CC[C@@H](c3nc(C4CC4)no3)C2)c1F ZINC000353419588 428528818 /nfs/dbraw/zinc/52/88/18/428528818.db2.gz NECGWPMGRPEMPS-SNVBAGLBSA-N -1 3 321.327 2.920 20 0 DFADHM COCCc1nc2cc(NC(=O)c3cccc([O-])c3)ccc2o1 ZINC000357304911 428473723 /nfs/dbraw/zinc/47/37/23/428473723.db2.gz MWZFOZYBJIDGRR-UHFFFAOYSA-N -1 3 312.325 2.975 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccnc2ccccc21 ZINC000342847258 428473826 /nfs/dbraw/zinc/47/38/26/428473826.db2.gz LEYNQHWHOUHZPU-UHFFFAOYSA-N -1 3 307.235 2.624 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccnc2ccccc21 ZINC000342847258 428473832 /nfs/dbraw/zinc/47/38/32/428473832.db2.gz LEYNQHWHOUHZPU-UHFFFAOYSA-N -1 3 307.235 2.624 20 0 DFADHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000360885086 428477918 /nfs/dbraw/zinc/47/79/18/428477918.db2.gz BEXYDVXAVHIJOA-QWRGUYRKSA-N -1 3 321.801 2.715 20 0 DFADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000360889297 428478770 /nfs/dbraw/zinc/47/87/70/428478770.db2.gz QUPUVZRVAKUWDD-UWVGGRQHSA-N -1 3 319.448 2.638 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1c[n-]nn1 ZINC000347448350 428581845 /nfs/dbraw/zinc/58/18/45/428581845.db2.gz CPKJMQLWWYJRSX-VXGBXAGGSA-N -1 3 324.306 2.890 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1cnn[n-]1 ZINC000347448350 428581850 /nfs/dbraw/zinc/58/18/50/428581850.db2.gz CPKJMQLWWYJRSX-VXGBXAGGSA-N -1 3 324.306 2.890 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1cn[n-]n1 ZINC000347448350 428581854 /nfs/dbraw/zinc/58/18/54/428581854.db2.gz CPKJMQLWWYJRSX-VXGBXAGGSA-N -1 3 324.306 2.890 20 0 DFADHM CN(C)c1nc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)cc(=O)[n-]1 ZINC000407993425 428590274 /nfs/dbraw/zinc/59/02/74/428590274.db2.gz YELOAEQNXBIQCB-GFCCVEGCSA-N -1 3 320.437 2.537 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N[C@H](C)c3ccccn3)c[n-]c12 ZINC000357433837 428533749 /nfs/dbraw/zinc/53/37/49/428533749.db2.gz DHVZZZOSUKRHSE-GFCCVEGCSA-N -1 3 307.353 2.723 20 0 DFADHM CC(C)n1ccc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)n1 ZINC000361288544 428552346 /nfs/dbraw/zinc/55/23/46/428552346.db2.gz NSIFMINQKXXDLS-UHFFFAOYSA-N -1 3 313.336 3.246 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)C(F)(F)F ZINC000357692456 428556007 /nfs/dbraw/zinc/55/60/07/428556007.db2.gz CVZNDSVPFZVQAU-LURJTMIESA-N -1 3 308.256 2.551 20 0 DFADHM O=C1CCOc2ccc(NC([O-])=NOCc3ccccc3)cc21 ZINC000373357254 428556476 /nfs/dbraw/zinc/55/64/76/428556476.db2.gz ZKIOOARMJVQPJU-UHFFFAOYSA-N -1 3 312.325 2.905 20 0 DFADHM O=C([N-]OCc1ccccc1)Nc1ccc2c(c1)C(=O)CCO2 ZINC000373357254 428556482 /nfs/dbraw/zinc/55/64/82/428556482.db2.gz ZKIOOARMJVQPJU-UHFFFAOYSA-N -1 3 312.325 2.905 20 0 DFADHM [O-]c1ccc(F)c(CNc2nnc(-c3ccccn3)s2)c1F ZINC000357713879 428557323 /nfs/dbraw/zinc/55/73/23/428557323.db2.gz UNSHQCHHROKPAI-UHFFFAOYSA-N -1 3 320.324 3.196 20 0 DFADHM Cc1cccc(-c2n[nH]cc2C[N-]c2nnc(C(F)(F)F)o2)c1 ZINC000357717619 428557587 /nfs/dbraw/zinc/55/75/87/428557587.db2.gz RCXMHJJVZUBUEE-UHFFFAOYSA-N -1 3 323.278 3.399 20 0 DFADHM Cc1ncc(CNc2cc(C(C)C)nc(C(C)C)n2)c(=O)[n-]1 ZINC000343599654 428563562 /nfs/dbraw/zinc/56/35/62/428563562.db2.gz OKRWYUNUVMHLMB-UHFFFAOYSA-N -1 3 301.394 3.140 20 0 DFADHM CC(=O)NCC[C@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000353524669 428579229 /nfs/dbraw/zinc/57/92/29/428579229.db2.gz FAPZEGACZFVLEJ-CYBMUJFWSA-N -1 3 310.825 2.784 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2ncccc2Cl)c([O-])c1 ZINC000343955276 428597811 /nfs/dbraw/zinc/59/78/11/428597811.db2.gz NERDGYTUHCBPHH-UHFFFAOYSA-N -1 3 320.732 2.870 20 0 DFADHM CC(C)COc1ccc(NC(=O)NCc2ncccc2[O-])cn1 ZINC000344002957 428604820 /nfs/dbraw/zinc/60/48/20/428604820.db2.gz CCOXDTBARYFAEG-UHFFFAOYSA-N -1 3 316.361 2.539 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@](C)(F)C3)c[n-]c12 ZINC000347579293 428608332 /nfs/dbraw/zinc/60/83/32/428608332.db2.gz CWJVBGNXEZYXSN-MRXNPFEDSA-N -1 3 306.312 2.550 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)sc1C ZINC000362097388 428619835 /nfs/dbraw/zinc/61/98/35/428619835.db2.gz WGYIVQGNSBADLS-SSDOTTSWSA-N -1 3 301.355 2.984 20 0 DFADHM CC[C@@H](C)[C@@H](NCc1nc(=O)n(C)[n-]1)c1ccc(Cl)cc1 ZINC000347669114 428621272 /nfs/dbraw/zinc/62/12/72/428621272.db2.gz IQRMVZGVSKDBKH-QMTHXVAHSA-N -1 3 308.813 2.639 20 0 DFADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000408224332 428623891 /nfs/dbraw/zinc/62/38/91/428623891.db2.gz GTZKDQZALOOIID-QWHCGFSZSA-N -1 3 324.446 2.709 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)CCC(F)(F)F)nc21 ZINC000344445003 428643757 /nfs/dbraw/zinc/64/37/57/428643757.db2.gz HHVXKJITZHIVQS-UHFFFAOYSA-N -1 3 315.251 2.631 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)CCC(F)(F)F)[n-]c21 ZINC000344445003 428643753 /nfs/dbraw/zinc/64/37/53/428643753.db2.gz HHVXKJITZHIVQS-UHFFFAOYSA-N -1 3 315.251 2.631 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c([O-])c1 ZINC000408410061 428654646 /nfs/dbraw/zinc/65/46/46/428654646.db2.gz IRVWSWAYSWGPHI-KSSFIOAISA-N -1 3 319.401 2.584 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3Cc4ccccc43)[n-]c21 ZINC000344492142 428664309 /nfs/dbraw/zinc/66/43/09/428664309.db2.gz QPEFMAOLJZJGIX-CYBMUJFWSA-N -1 3 321.336 2.628 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3Cc4ccccc43)nc21 ZINC000344492142 428664311 /nfs/dbraw/zinc/66/43/11/428664311.db2.gz QPEFMAOLJZJGIX-CYBMUJFWSA-N -1 3 321.336 2.628 20 0 DFADHM Cc1nnc(SCc2cc(=O)c([O-])co2)n1-c1ccccc1 ZINC000344500549 428666225 /nfs/dbraw/zinc/66/62/25/428666225.db2.gz UBGRZHGWNQNQEM-UHFFFAOYSA-N -1 3 315.354 2.527 20 0 DFADHM CC[C@@]1(C)CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCO1 ZINC000408435609 428660157 /nfs/dbraw/zinc/66/01/57/428660157.db2.gz OVQZECIHYNFOAP-SFHVURJKSA-N -1 3 319.401 2.747 20 0 DFADHM COc1ccc(C(=O)N2CCSC[C@@H]2C2CCC2)c([O-])c1 ZINC000416106248 428668384 /nfs/dbraw/zinc/66/83/84/428668384.db2.gz GNCBNBNGXFKWCG-CQSZACIVSA-N -1 3 307.415 2.759 20 0 DFADHM CCOC(=O)[C@@H](Sc1nc2cncnc2[n-]1)c1ccccc1 ZINC000358839263 428699555 /nfs/dbraw/zinc/69/95/55/428699555.db2.gz BPEJXGPUSGRGPI-LBPRGKRZSA-N -1 3 314.370 2.749 20 0 DFADHM CCc1csc(NC(=O)c2[n-]nc3c2cccc3OC)n1 ZINC000348305572 428701433 /nfs/dbraw/zinc/70/14/33/428701433.db2.gz CCBPAKPYGXXADU-UHFFFAOYSA-N -1 3 302.359 2.843 20 0 DFADHM CCc1csc(NC(=O)c2n[n-]c3c2cccc3OC)n1 ZINC000348305572 428701439 /nfs/dbraw/zinc/70/14/39/428701439.db2.gz CCBPAKPYGXXADU-UHFFFAOYSA-N -1 3 302.359 2.843 20 0 DFADHM CC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])[C@H]1CC1(C)C ZINC000416273231 428706429 /nfs/dbraw/zinc/70/64/29/428706429.db2.gz FMJOZMSOSMYBGX-ZIAGYGMSSA-N -1 3 304.390 2.905 20 0 DFADHM CC(C)(C)n1cc(NC(=O)c2c[n-]nc2-c2ccncc2)cn1 ZINC000344843422 428713769 /nfs/dbraw/zinc/71/37/69/428713769.db2.gz FQNNZLPDYWABSO-UHFFFAOYSA-N -1 3 310.361 2.676 20 0 DFADHM CC(C)(C)n1cc(NC(=O)c2cn[n-]c2-c2ccncc2)cn1 ZINC000344843422 428713773 /nfs/dbraw/zinc/71/37/73/428713773.db2.gz FQNNZLPDYWABSO-UHFFFAOYSA-N -1 3 310.361 2.676 20 0 DFADHM Cc1ccc([O-])c(CN[C@H](c2ccccc2)C(C)(C)CO)n1 ZINC000348350430 428715096 /nfs/dbraw/zinc/71/50/96/428715096.db2.gz CADCZQGTIIUUHV-QGZVFWFLSA-N -1 3 300.402 2.945 20 0 DFADHM COc1ccc(-c2ccncc2)cc1CN[C@H](C)CC(=O)[O-] ZINC000362348206 428715582 /nfs/dbraw/zinc/71/55/82/428715582.db2.gz FVEJHDAXFCFWOA-GFCCVEGCSA-N -1 3 300.358 2.710 20 0 DFADHM Cc1ccc(-c2cc(C(=O)N3C[C@@H](CO)c4ccccc43)n[n-]2)o1 ZINC000353824792 428734076 /nfs/dbraw/zinc/73/40/76/428734076.db2.gz ISVPZTQQMKKCGB-LBPRGKRZSA-N -1 3 323.352 2.714 20 0 DFADHM Cc1ccc(-c2cc(C(=O)N3C[C@@H](CO)c4ccccc43)[n-]n2)o1 ZINC000353824792 428734082 /nfs/dbraw/zinc/73/40/82/428734082.db2.gz ISVPZTQQMKKCGB-LBPRGKRZSA-N -1 3 323.352 2.714 20 0 DFADHM Cc1ncccc1OC[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000416362278 428724355 /nfs/dbraw/zinc/72/43/55/428724355.db2.gz TVNDHHUPUQCOHE-HNNXBMFYSA-N -1 3 312.369 2.779 20 0 DFADHM COc1cc(C(=O)N(C)Cc2ccc(F)cc2F)ccc1[O-] ZINC000362398558 428731416 /nfs/dbraw/zinc/73/14/16/428731416.db2.gz UGSBOLWMCSFVOB-UHFFFAOYSA-N -1 3 307.296 2.951 20 0 DFADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cnc(C)s2)c1F ZINC000362265632 428679054 /nfs/dbraw/zinc/67/90/54/428679054.db2.gz JINMYPZNIONHFW-UHFFFAOYSA-N -1 3 312.297 2.769 20 0 DFADHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000358799921 428680564 /nfs/dbraw/zinc/68/05/64/428680564.db2.gz LBWJADAXTYHVHQ-UHFFFAOYSA-N -1 3 323.324 2.950 20 0 DFADHM COc1ccccc1S(=O)(=O)[N-]c1cc2cn[nH]c2cc1C ZINC000358798561 428680800 /nfs/dbraw/zinc/68/08/00/428680800.db2.gz HBYWZBHDUJNKPY-UHFFFAOYSA-N -1 3 317.370 2.681 20 0 DFADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1occ2c1CCC2 ZINC000362289421 428690085 /nfs/dbraw/zinc/69/00/85/428690085.db2.gz WNXARKCWUDYHDO-UHFFFAOYSA-N -1 3 302.721 2.717 20 0 DFADHM Cc1ccc(Cl)c(NC(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000345099412 428753657 /nfs/dbraw/zinc/75/36/57/428753657.db2.gz FZDLEOPUAHXWPX-UHFFFAOYSA-N -1 3 306.753 2.774 20 0 DFADHM O=C(NCc1ccncn1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000348480008 428756163 /nfs/dbraw/zinc/75/61/63/428756163.db2.gz CKNWFWRNTRHLCD-UHFFFAOYSA-N -1 3 319.777 2.512 20 0 DFADHM Cc1cc(C(=O)NCc2ccccc2-n2ccnc2)ccc1[O-] ZINC000353877450 428759280 /nfs/dbraw/zinc/75/92/80/428759280.db2.gz ASWRATOFLUMGTG-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)s1 ZINC000416607690 428759408 /nfs/dbraw/zinc/75/94/08/428759408.db2.gz PWQYNKNIARLEFM-ZCFIWIBFSA-N -1 3 316.370 2.627 20 0 DFADHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C12CCC2 ZINC000374876121 428771969 /nfs/dbraw/zinc/77/19/69/428771969.db2.gz MKAMZTIMQUPQKP-COLVAYQJSA-N -1 3 322.380 2.534 20 0 DFADHM C[C@H]1CCN(C(=O)CN(C)[C@H]2CCSC2)c2c([O-])cccc21 ZINC000345154938 428775416 /nfs/dbraw/zinc/77/54/16/428775416.db2.gz HDDUGHKKVDCBSL-STQMWFEESA-N -1 3 320.458 2.670 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)COc3cccc(F)c3)[n-]2)o1 ZINC000359018325 428776085 /nfs/dbraw/zinc/77/60/85/428776085.db2.gz MBVCAPTYGCMVFL-UHFFFAOYSA-N -1 3 316.292 2.530 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)COc3cccc(F)c3)n2)o1 ZINC000359018325 428776089 /nfs/dbraw/zinc/77/60/89/428776089.db2.gz MBVCAPTYGCMVFL-UHFFFAOYSA-N -1 3 316.292 2.530 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)COc3cccc(F)c3)n[n-]2)o1 ZINC000359018325 428776094 /nfs/dbraw/zinc/77/60/94/428776094.db2.gz MBVCAPTYGCMVFL-UHFFFAOYSA-N -1 3 316.292 2.530 20 0 DFADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000359042444 428789252 /nfs/dbraw/zinc/78/92/52/428789252.db2.gz DYOYMMCQKRUQNK-JTQLQIEISA-N -1 3 311.320 2.748 20 0 DFADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000359042444 428789256 /nfs/dbraw/zinc/78/92/56/428789256.db2.gz DYOYMMCQKRUQNK-JTQLQIEISA-N -1 3 311.320 2.748 20 0 DFADHM O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc2n[n-]nc2c1 ZINC000345020907 428735498 /nfs/dbraw/zinc/73/54/98/428735498.db2.gz OTQBLVDRXNDVGP-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM C[C@@H]1CCc2nc(NC(=O)NCc3ncccc3[O-])sc2C1 ZINC000348444963 428745125 /nfs/dbraw/zinc/74/51/25/428745125.db2.gz CGZKSVXDHJKIRE-SECBINFHSA-N -1 3 318.402 2.690 20 0 DFADHM Cc1ncc(CNC(=O)c2cc(Cl)cc(Cl)c2)c(=O)[n-]1 ZINC000345089720 428748502 /nfs/dbraw/zinc/74/85/02/428748502.db2.gz HIGANZCZWXCDSN-UHFFFAOYSA-N -1 3 312.156 2.727 20 0 DFADHM Cc1ncc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c(=O)[n-]1 ZINC000345088723 428749346 /nfs/dbraw/zinc/74/93/46/428749346.db2.gz FBAVPYLTEDAASP-ZIAGYGMSSA-N -1 3 317.776 2.564 20 0 DFADHM Cc1ncc(CNC(=O)CSc2ccccc2Cl)c(=O)[n-]1 ZINC000345089084 428749389 /nfs/dbraw/zinc/74/93/89/428749389.db2.gz CKBUZFOBIVZBHO-UHFFFAOYSA-N -1 3 323.805 2.553 20 0 DFADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)cc1F ZINC000416558848 428751689 /nfs/dbraw/zinc/75/16/89/428751689.db2.gz KATPJARXQOTKGY-GBIKHYSHSA-N -1 3 301.358 2.740 20 0 DFADHM Cc1ccc([O-])c(CN2CCCN(c3ccccc3F)CC2)n1 ZINC000348804877 428846085 /nfs/dbraw/zinc/84/60/85/428846085.db2.gz ZHNRFRCHGOXKON-UHFFFAOYSA-N -1 3 315.392 2.947 20 0 DFADHM COc1cccc2c(C(=O)Nc3ccc4c(c3)ncn4C)[n-]nc21 ZINC000348630762 428799202 /nfs/dbraw/zinc/79/92/02/428799202.db2.gz ARAJVIWOLRPRMR-UHFFFAOYSA-N -1 3 321.340 2.711 20 0 DFADHM COc1cccc2c(C(=O)Nc3ccc4c(c3)ncn4C)n[n-]c21 ZINC000348630762 428799205 /nfs/dbraw/zinc/79/92/05/428799205.db2.gz ARAJVIWOLRPRMR-UHFFFAOYSA-N -1 3 321.340 2.711 20 0 DFADHM O=C(C[C@@H]1C[C@@H]1c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000348630553 428800627 /nfs/dbraw/zinc/80/06/27/428800627.db2.gz UIBVMPKOBZCGKQ-GOEBONIOSA-N -1 3 319.368 2.999 20 0 DFADHM O=C(C[C@@H]1C[C@@H]1c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000348630553 428800628 /nfs/dbraw/zinc/80/06/28/428800628.db2.gz UIBVMPKOBZCGKQ-GOEBONIOSA-N -1 3 319.368 2.999 20 0 DFADHM O=C(c1cc(Cl)ccc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000345238605 428810916 /nfs/dbraw/zinc/81/09/16/428810916.db2.gz ZSRLBGHPRCDGFH-UHFFFAOYSA-N -1 3 324.167 2.688 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(C)CCCCCC1 ZINC000345246097 428814375 /nfs/dbraw/zinc/81/43/75/428814375.db2.gz JZGABXDFVYGPCX-UHFFFAOYSA-N -1 3 300.424 2.930 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@H]1C(C)C)c2=O ZINC000411615802 428823931 /nfs/dbraw/zinc/82/39/31/428823931.db2.gz IDZYDWKQMOCVRG-INIZCTEOSA-N -1 3 314.385 2.797 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@@H]1C(C)C)c2=O ZINC000411615805 428824826 /nfs/dbraw/zinc/82/48/26/428824826.db2.gz IDZYDWKQMOCVRG-MRXNPFEDSA-N -1 3 314.385 2.797 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@H]2Cc3ccccc32)n[n-]1 ZINC000354031850 428830902 /nfs/dbraw/zinc/83/09/02/428830902.db2.gz QAUORXKRXQTKMS-AWEZNQCLSA-N -1 3 320.352 2.759 20 0 DFADHM CC1(CNC(=O)NCc2nnc(C(F)(F)F)[n-]2)CCCCC1 ZINC000359143324 428836036 /nfs/dbraw/zinc/83/60/36/428836036.db2.gz LHXMGFHMSDUQSA-UHFFFAOYSA-N -1 3 319.331 2.593 20 0 DFADHM CC1(CNC(=O)NCc2n[n-]c(C(F)(F)F)n2)CCCCC1 ZINC000359143324 428836043 /nfs/dbraw/zinc/83/60/43/428836043.db2.gz LHXMGFHMSDUQSA-UHFFFAOYSA-N -1 3 319.331 2.593 20 0 DFADHM CC1(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)CCCCC1 ZINC000359143324 428836047 /nfs/dbraw/zinc/83/60/47/428836047.db2.gz LHXMGFHMSDUQSA-UHFFFAOYSA-N -1 3 319.331 2.593 20 0 DFADHM Cc1ccc2cccc(NC(=O)NCc3cnc(C)[n-]c3=O)c2n1 ZINC000345298991 428836516 /nfs/dbraw/zinc/83/65/16/428836516.db2.gz NBOMXEVZBJZSDL-UHFFFAOYSA-N -1 3 323.356 2.669 20 0 DFADHM O=C(c1ccc2oc(=O)[nH]c2c1)N1CCCc2cccc([O-])c21 ZINC000362999716 428838022 /nfs/dbraw/zinc/83/80/22/428838022.db2.gz AFKSXHLWVJWFSJ-UHFFFAOYSA-N -1 3 310.309 2.832 20 0 DFADHM CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CC1(C)C ZINC000417130118 428857845 /nfs/dbraw/zinc/85/78/45/428857845.db2.gz ASWBNTBETINDLB-OLZOCXBDSA-N -1 3 315.373 2.516 20 0 DFADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(F)c1F ZINC000354094026 428858343 /nfs/dbraw/zinc/85/83/43/428858343.db2.gz VVWGVEVBKSBHGD-UHFFFAOYSA-N -1 3 311.313 2.743 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[C@H](C)C2)s1 ZINC000359196288 428862953 /nfs/dbraw/zinc/86/29/53/428862953.db2.gz BRVXFPPBCGITBY-GMTAPVOTSA-N -1 3 302.465 2.809 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000363130207 428863988 /nfs/dbraw/zinc/86/39/88/428863988.db2.gz RXFJBKPVNURLKO-HNNXBMFYSA-N -1 3 324.359 2.944 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@@H]2C)s1 ZINC000359213243 428867711 /nfs/dbraw/zinc/86/77/11/428867711.db2.gz IMBCBZLSDRKYSZ-GARJFASQSA-N -1 3 302.465 2.809 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)s1 ZINC000359216018 428870026 /nfs/dbraw/zinc/87/00/26/428870026.db2.gz AKUAWPHTCSVHLS-GFCCVEGCSA-N -1 3 322.455 2.714 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCOc3ccccc32)s1 ZINC000359218945 428872948 /nfs/dbraw/zinc/87/29/48/428872948.db2.gz FGHOJPKOBVQWAR-LLVKDONJSA-N -1 3 324.427 2.508 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-]CC23CCC(CC2)C3)s1 ZINC000359224064 428875237 /nfs/dbraw/zinc/87/52/37/428875237.db2.gz XKTAKFAGWBYWJW-UHFFFAOYSA-N -1 3 300.449 2.564 20 0 DFADHM C[C@H](SCC(=O)Nc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000359226163 428875396 /nfs/dbraw/zinc/87/53/96/428875396.db2.gz GISPIECCLOZNDG-JTQLQIEISA-N -1 3 311.403 2.794 20 0 DFADHM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1csc(=O)[n-]1 ZINC000348937122 428880418 /nfs/dbraw/zinc/88/04/18/428880418.db2.gz ZACVNPIVCRAFKF-SECBINFHSA-N -1 3 310.375 2.955 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CC)s1 ZINC000359243173 428883544 /nfs/dbraw/zinc/88/35/44/428883544.db2.gz OHEQWTXCRKVEMI-GHMZBOCLSA-N -1 3 302.465 2.953 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN2CCCC[C@H]2C1 ZINC000345431502 428886751 /nfs/dbraw/zinc/88/67/51/428886751.db2.gz PBYGJFBPYIFQEG-HNNXBMFYSA-N -1 3 320.408 2.551 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2nc(C)cs2)cc1[O-] ZINC000411961578 428896280 /nfs/dbraw/zinc/89/62/80/428896280.db2.gz ANXSDBIUPOUAEK-VIFPVBQESA-N -1 3 304.371 2.851 20 0 DFADHM CCO[C@H]1C[C@H](N(C)Cc2n[n-]c(=O)s2)C12CCCCC2 ZINC000375485206 428896935 /nfs/dbraw/zinc/89/69/35/428896935.db2.gz FXBVUSFMLVPVTF-RYUDHWBXSA-N -1 3 311.451 2.803 20 0 DFADHM C[C@@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1cccc(F)c1 ZINC000359270155 428897210 /nfs/dbraw/zinc/89/72/10/428897210.db2.gz KLOZYVCZLOVSBU-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM C[C@@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1cccc(F)c1 ZINC000359270155 428897214 /nfs/dbraw/zinc/89/72/14/428897214.db2.gz KLOZYVCZLOVSBU-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1cccc(F)c1 ZINC000359270155 428897220 /nfs/dbraw/zinc/89/72/20/428897220.db2.gz KLOZYVCZLOVSBU-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OCCOC)nc2)c1 ZINC000354175645 428899313 /nfs/dbraw/zinc/89/93/13/428899313.db2.gz GOVLHQJOSFWXCK-UHFFFAOYSA-N -1 3 316.357 2.627 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC000375567542 428912950 /nfs/dbraw/zinc/91/29/50/428912950.db2.gz VRQZTDIBIKMEAS-ZIAGYGMSSA-N -1 3 311.385 2.807 20 0 DFADHM O=C([O-])[C@H]1CN(Cc2ccc3ccccc3n2)C[C@H]1C(F)(F)F ZINC000345512508 428915536 /nfs/dbraw/zinc/91/55/36/428915536.db2.gz XQXXMXJOWLERGD-QWHCGFSZSA-N -1 3 324.302 2.930 20 0 DFADHM O=C(NC[C@@H]1CCc2ccccc21)c1c[n-]nc1-c1ccccn1 ZINC000354211297 428916637 /nfs/dbraw/zinc/91/66/37/428916637.db2.gz VWZSBXZQPIMOGE-AWEZNQCLSA-N -1 3 318.380 2.932 20 0 DFADHM COc1cccc(-c2nc(C(=O)[N-]c3ncc(C)s3)no2)c1 ZINC000349084487 428917275 /nfs/dbraw/zinc/91/72/75/428917275.db2.gz PUMRCDHVSKAWGZ-UHFFFAOYSA-N -1 3 316.342 2.762 20 0 DFADHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1ccccc1[O-] ZINC000375642252 428931663 /nfs/dbraw/zinc/93/16/63/428931663.db2.gz NEVHWRWRDAJTOH-DIFFPNOSSA-N -1 3 318.373 2.730 20 0 DFADHM O=C([N-]OCC(F)(F)F)[C@H]1CCCCN1Cc1ccccc1 ZINC000363524936 428934746 /nfs/dbraw/zinc/93/47/46/428934746.db2.gz JIGOILZCIFWSJF-CYBMUJFWSA-N -1 3 316.323 2.651 20 0 DFADHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2c[nH]cn2)c2ccccc21 ZINC000354298286 428960104 /nfs/dbraw/zinc/96/01/04/428960104.db2.gz XVUUIKHOHIWRHJ-GFCCVEGCSA-N -1 3 319.430 2.543 20 0 DFADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000451997374 429034700 /nfs/dbraw/zinc/03/47/00/429034700.db2.gz SYOFPKJVKRSQGA-OQPBUACISA-N -1 3 321.801 2.571 20 0 DFADHM COc1cccc2c1CCCN2[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000433310684 429023362 /nfs/dbraw/zinc/02/33/62/429023362.db2.gz CYIBTLUZKDYAEH-LBPRGKRZSA-N -1 3 315.373 2.771 20 0 DFADHM CCC1(CC)[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C[C@@H]1OC ZINC000412190193 428977744 /nfs/dbraw/zinc/97/77/44/428977744.db2.gz FOESMUMDFKKELZ-CVEARBPZSA-N -1 3 319.401 2.918 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N(CC(C)C)C1CC1)c2=O ZINC000412190668 428978470 /nfs/dbraw/zinc/97/84/70/428978470.db2.gz IBTMVADKMKHDDX-UHFFFAOYSA-N -1 3 314.385 2.797 20 0 DFADHM CC[C@@](C)(C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)OC ZINC000451799378 428980142 /nfs/dbraw/zinc/98/01/42/428980142.db2.gz WLWGPOJGMDDVQE-LBPRGKRZSA-N -1 3 309.790 2.573 20 0 DFADHM C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000423601323 428980236 /nfs/dbraw/zinc/98/02/36/428980236.db2.gz GMJHHHHHZKRHPA-LSDHHAIUSA-N -1 3 324.424 2.805 20 0 DFADHM CC[C@@](C)(C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)OC ZINC000451797646 428981326 /nfs/dbraw/zinc/98/13/26/428981326.db2.gz QSCKRFAOBLDTPA-ZDUSSCGKSA-N -1 3 323.817 2.714 20 0 DFADHM CCCc1cc(NC(=O)c2ccc(C(C)=O)c([O-])c2)n(C)n1 ZINC000412223544 428988424 /nfs/dbraw/zinc/98/84/24/428988424.db2.gz DNDKDOPHWYMMMF-UHFFFAOYSA-N -1 3 301.346 2.533 20 0 DFADHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000451825248 428989893 /nfs/dbraw/zinc/98/98/93/428989893.db2.gz QGCKSTSPZWZLLD-OCCSQVGLSA-N -1 3 315.410 2.555 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H]1[C@H]1CCCO1 ZINC000375832539 428991011 /nfs/dbraw/zinc/99/10/11/428991011.db2.gz CUYQPNPLTBVESE-LSDHHAIUSA-N -1 3 309.793 2.758 20 0 DFADHM Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000375831126 428991397 /nfs/dbraw/zinc/99/13/97/428991397.db2.gz MLOCBOGSIFQSQC-AWEZNQCLSA-N -1 3 311.385 2.812 20 0 DFADHM Cc1nc2ccc(C(=O)Nc3nnc(-c4ccco4)[n-]3)cc2o1 ZINC000349529592 429000153 /nfs/dbraw/zinc/00/01/53/429000153.db2.gz OIABELWETXXTEZ-UHFFFAOYSA-N -1 3 309.285 2.767 20 0 DFADHM Cc1nc2ccc(C(=O)Nc3nc(-c4ccco4)n[n-]3)cc2o1 ZINC000349529592 429000159 /nfs/dbraw/zinc/00/01/59/429000159.db2.gz OIABELWETXXTEZ-UHFFFAOYSA-N -1 3 309.285 2.767 20 0 DFADHM Cc1nc2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc2o1 ZINC000349529592 429000162 /nfs/dbraw/zinc/00/01/62/429000162.db2.gz OIABELWETXXTEZ-UHFFFAOYSA-N -1 3 309.285 2.767 20 0 DFADHM Cc1cn(-c2ccccc2)nc1C(=O)Nc1nc(C)ccc1[O-] ZINC000354606017 429002299 /nfs/dbraw/zinc/00/22/99/429002299.db2.gz ZBDJHLLOLQDUQB-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM COCCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@@H]1CC[C@H](C)C1 ZINC000412289517 429003843 /nfs/dbraw/zinc/00/38/43/429003843.db2.gz KWDNASAFHSMEPQ-SWLSCSKDSA-N -1 3 319.401 2.872 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](C)C3(OC)CCC3)ccc2[n-]1 ZINC000412758956 429095608 /nfs/dbraw/zinc/09/56/08/429095608.db2.gz DSLGDOPVJODIAS-LLVKDONJSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](C)C3(OC)CCC3)cc2[n-]1 ZINC000412758956 429095613 /nfs/dbraw/zinc/09/56/13/429095613.db2.gz DSLGDOPVJODIAS-LLVKDONJSA-N -1 3 317.389 2.649 20 0 DFADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000452056155 429044479 /nfs/dbraw/zinc/04/44/79/429044479.db2.gz DFIHSBILTNUELI-GHMZBOCLSA-N -1 3 321.801 2.715 20 0 DFADHM Cc1cc(NC(=O)Cc2ccc([O-])cc2Cl)nn1C(C)C ZINC000422080348 429047349 /nfs/dbraw/zinc/04/73/49/429047349.db2.gz OHJIAOZSPSGDGG-UHFFFAOYSA-N -1 3 307.781 3.313 20 0 DFADHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000452064981 429048081 /nfs/dbraw/zinc/04/80/81/429048081.db2.gz HAQGBTBAQHZXHE-ZIAGYGMSSA-N -1 3 319.373 2.591 20 0 DFADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@H]1C[C@@H]1C1CC1 ZINC000434393438 429084390 /nfs/dbraw/zinc/08/43/90/429084390.db2.gz FVCMGVAIRHREIK-BDAKNGLRSA-N -1 3 304.300 2.735 20 0 DFADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@H]1C[C@@H]1C1CC1 ZINC000434393438 429084395 /nfs/dbraw/zinc/08/43/95/429084395.db2.gz FVCMGVAIRHREIK-BDAKNGLRSA-N -1 3 304.300 2.735 20 0 DFADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@H]1C[C@@H]1C1CC1 ZINC000434393438 429084398 /nfs/dbraw/zinc/08/43/98/429084398.db2.gz FVCMGVAIRHREIK-BDAKNGLRSA-N -1 3 304.300 2.735 20 0 DFADHM COC1([C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000412773144 429099269 /nfs/dbraw/zinc/09/92/69/429099269.db2.gz YZWCZPWOPWYHTJ-GFCCVEGCSA-N -1 3 309.381 2.928 20 0 DFADHM COC[C@]1(C)CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000452361662 429101372 /nfs/dbraw/zinc/10/13/72/429101372.db2.gz MLAUKMKVEJIDQH-GOSISDBHSA-N -1 3 319.401 2.604 20 0 DFADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1csnn1 ZINC000412791457 429101675 /nfs/dbraw/zinc/10/16/75/429101675.db2.gz GVUCAHMLRUYWBX-SECBINFHSA-N -1 3 309.366 2.583 20 0 DFADHM CC(C)C[C@@H](C)N(C)C(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424257307 429115208 /nfs/dbraw/zinc/11/52/08/429115208.db2.gz KJGXTFXAHGRTQK-HUUCEWRRSA-N -1 3 312.454 2.599 20 0 DFADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424258370 429115852 /nfs/dbraw/zinc/11/58/52/429115852.db2.gz LVJKHGWZKSNWRN-OAGGEKHMSA-N -1 3 324.465 2.743 20 0 DFADHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)C(C)C)[n-]c(=O)c21 ZINC000412992590 429120526 /nfs/dbraw/zinc/12/05/26/429120526.db2.gz MVIGABMWWUBCDH-VIFPVBQESA-N -1 3 321.402 2.962 20 0 DFADHM COC(=O)c1ccc(Cl)c(CNCCC(C)(C)C(=O)[O-])c1 ZINC000424412590 429138549 /nfs/dbraw/zinc/13/85/49/429138549.db2.gz NIYPQBOTMYZXST-UHFFFAOYSA-N -1 3 313.781 2.717 20 0 DFADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1nccn1-c1ccccc1 ZINC000424615725 429164233 /nfs/dbraw/zinc/16/42/33/429164233.db2.gz FDYLELPMHDTAFR-BBRMVZONSA-N -1 3 301.390 2.707 20 0 DFADHM CC(C)CCOc1ccc(CNC[C@@H]2OCC[C@H]2C(=O)[O-])cc1 ZINC000424622308 429165759 /nfs/dbraw/zinc/16/57/59/429165759.db2.gz PWUUAVOZSXHWDF-SJORKVTESA-N -1 3 321.417 2.691 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000364309884 429179071 /nfs/dbraw/zinc/17/90/71/429179071.db2.gz WVVDUHGPAHSMCI-ZIAGYGMSSA-N -1 3 319.401 2.680 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)[C@H](C)C3CC3)c[n-]c12 ZINC000495196498 429185377 /nfs/dbraw/zinc/18/53/77/429185377.db2.gz UUVNQGOSFXWJAJ-SNVBAGLBSA-N -1 3 302.349 2.846 20 0 DFADHM O=C(NCc1noc(-c2cccc(F)c2)n1)c1ccccc1[O-] ZINC000364376789 429192629 /nfs/dbraw/zinc/19/26/29/429192629.db2.gz FWTFONUDQLTTKF-UHFFFAOYSA-N -1 3 313.288 2.511 20 0 DFADHM CC(C)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489020847 429214169 /nfs/dbraw/zinc/21/41/69/429214169.db2.gz SPTDPJOMXXQKLY-UHFFFAOYSA-N -1 3 315.288 2.659 20 0 DFADHM CCC[C@@H](C)c1cc(NC(=O)c2cc(OC)ccc2[O-])n[nH]1 ZINC000439898459 429223211 /nfs/dbraw/zinc/22/32/11/429223211.db2.gz FOHNTHKCRNGIAN-SNVBAGLBSA-N -1 3 303.362 3.280 20 0 DFADHM COC(=O)Nc1cccc(CNCc2cc([O-])cc(F)c2)c1 ZINC000495615030 429232803 /nfs/dbraw/zinc/23/28/03/429232803.db2.gz DWJOMNGWGJRFEI-UHFFFAOYSA-N -1 3 304.321 2.999 20 0 DFADHM CC(C)[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CCN1C ZINC000489347307 429231721 /nfs/dbraw/zinc/23/17/21/429231721.db2.gz AKVDLAZEGSVKMN-MRXNPFEDSA-N -1 3 322.424 2.653 20 0 DFADHM CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000488793805 429199122 /nfs/dbraw/zinc/19/91/22/429199122.db2.gz JFSWISVTTYJPJR-KGLIPLIRSA-N -1 3 300.399 2.714 20 0 DFADHM CC[C@H](C)n1nc(NC(=O)c2cccc(OC)c2[O-])cc1C ZINC000436691636 429201655 /nfs/dbraw/zinc/20/16/55/429201655.db2.gz VCBUIIRSEHIBEP-JTQLQIEISA-N -1 3 303.362 3.129 20 0 DFADHM Cc1ccc(C(=O)NCC(=O)C2CCC(F)(F)CC2)c([O-])c1 ZINC000424884313 429203369 /nfs/dbraw/zinc/20/33/69/429203369.db2.gz ZNCCEVJGHASQQZ-UHFFFAOYSA-N -1 3 311.328 2.825 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-]CC[C@@H](C)CC(C)(C)C)c1 ZINC000442768118 429234959 /nfs/dbraw/zinc/23/49/59/429234959.db2.gz NWKJSXDSEWBAGI-GFCCVEGCSA-N -1 3 301.456 2.644 20 0 DFADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)[N-]OCCC1CC1 ZINC000495643970 429238128 /nfs/dbraw/zinc/23/81/28/429238128.db2.gz GNLQNQZXJATECL-OLZOCXBDSA-N -1 3 312.410 2.528 20 0 DFADHM C[C@H]1COC(C)(C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000489537465 429250640 /nfs/dbraw/zinc/25/06/40/429250640.db2.gz VBSSWQAGGGHNSZ-LBPRGKRZSA-N -1 3 309.381 2.880 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](n2ncc3ccccc32)C1 ZINC000364698934 429251028 /nfs/dbraw/zinc/25/10/28/429251028.db2.gz IGSYYFVZYWKEIZ-ZDUSSCGKSA-N -1 3 323.352 2.535 20 0 DFADHM O=C(c1cccc([O-])c1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000364699309 429251369 /nfs/dbraw/zinc/25/13/69/429251369.db2.gz IWDKFKGCEZMDTJ-CJNGLKHVSA-N -1 3 319.307 2.619 20 0 DFADHM CC[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])[C@H](C)O ZINC000456192349 429256432 /nfs/dbraw/zinc/25/64/32/429256432.db2.gz NOJFQVGYYFCGED-LRDDRELGSA-N -1 3 301.386 2.754 20 0 DFADHM CC(=O)Nc1ccccc1CC(=O)N1CCCc2cccc([O-])c21 ZINC000444337383 429270464 /nfs/dbraw/zinc/27/04/64/429270464.db2.gz CMSBHIAIMFZJBS-UHFFFAOYSA-N -1 3 324.380 2.873 20 0 DFADHM COCC(C)(C)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000425348981 429271538 /nfs/dbraw/zinc/27/15/38/429271538.db2.gz JYZTYZRAMFCWEK-UHFFFAOYSA-N -1 3 312.841 2.588 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)C(C)=C1CN(C(=O)OC(C)(C)C)C1 ZINC000495828376 429273948 /nfs/dbraw/zinc/27/39/48/429273948.db2.gz WQHLBOZEFWZRSF-LLVKDONJSA-N -1 3 312.410 2.648 20 0 DFADHM CCOC(=O)N1CCC[C@H](C(=O)[N-]O[C@@H](C)c2ccccc2)C1 ZINC000495847951 429277501 /nfs/dbraw/zinc/27/75/01/429277501.db2.gz DNVNOMRZYKNEEM-ZFWWWQNUSA-N -1 3 320.389 2.664 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)[n-]c(=O)n1 ZINC000490163830 429281231 /nfs/dbraw/zinc/28/12/31/429281231.db2.gz KXDGBTRGOFHADB-LSDHHAIUSA-N -1 3 311.385 2.947 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)[C@@H](OC)C3CC3)ccc2[n-]1 ZINC000456537140 429320791 /nfs/dbraw/zinc/32/07/91/429320791.db2.gz AVSLEIQQUFOXDP-ZUZCIYMTSA-N -1 3 317.389 2.505 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)[C@@H](OC)C3CC3)cc2[n-]1 ZINC000456537140 429320794 /nfs/dbraw/zinc/32/07/94/429320794.db2.gz AVSLEIQQUFOXDP-ZUZCIYMTSA-N -1 3 317.389 2.505 20 0 DFADHM O=C(N[C@H]1COc2ccccc2C1)c1cc([O-])ccc1Cl ZINC000365453287 429322785 /nfs/dbraw/zinc/32/27/85/429322785.db2.gz ADCGTOHEBIUKDS-LLVKDONJSA-N -1 3 303.745 2.779 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456556975 429323724 /nfs/dbraw/zinc/32/37/24/429323724.db2.gz HUQODHDJBVFSCA-OAHLLOKOSA-N -1 3 308.341 2.918 20 0 DFADHM Cc1ccc([C@@H](C)CNC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000503619790 429334207 /nfs/dbraw/zinc/33/42/07/429334207.db2.gz RZSMEVOIHGISGN-NSHDSACASA-N -1 3 312.348 2.939 20 0 DFADHM Cc1ccc([C@@H](C)CNC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000503619790 429334214 /nfs/dbraw/zinc/33/42/14/429334214.db2.gz RZSMEVOIHGISGN-NSHDSACASA-N -1 3 312.348 2.939 20 0 DFADHM Cc1ccc([C@@H](C)CNC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000503619790 429334220 /nfs/dbraw/zinc/33/42/20/429334220.db2.gz RZSMEVOIHGISGN-NSHDSACASA-N -1 3 312.348 2.939 20 0 DFADHM Cc1ccc([C@@H]2CN(C(=O)c3csc(=O)[n-]3)CCO2)c(C)c1 ZINC000365545738 429338577 /nfs/dbraw/zinc/33/85/77/429338577.db2.gz JYOVMIIMLCSZIZ-AWEZNQCLSA-N -1 3 318.398 2.679 20 0 DFADHM CCc1cc(C(=O)N[C@H](C)c2ccnc(OC)c2)ccc1[O-] ZINC000490497326 429291496 /nfs/dbraw/zinc/29/14/96/429291496.db2.gz BGYZOVWNWSZUST-LLVKDONJSA-N -1 3 300.358 2.849 20 0 DFADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC(O)(C2CC2)C1 ZINC000365282296 429293844 /nfs/dbraw/zinc/29/38/44/429293844.db2.gz SWTATNVGIUUDRQ-UHFFFAOYSA-N -1 3 323.392 2.580 20 0 DFADHM Cc1nc2ccc(NC(=O)Cc3ccc([O-])cc3Cl)cn2n1 ZINC000507176486 429346652 /nfs/dbraw/zinc/34/66/52/429346652.db2.gz YDFRCRMFABGWLP-UHFFFAOYSA-N -1 3 316.748 2.578 20 0 DFADHM O=C(C=Cc1cccc(F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000490666469 429299320 /nfs/dbraw/zinc/29/93/20/429299320.db2.gz KWBBTMMIXOMMBM-FPLPWBNLSA-N -1 3 309.304 2.658 20 0 DFADHM O=C(C=Cc1cccc(F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000490666469 429299325 /nfs/dbraw/zinc/29/93/25/429299325.db2.gz KWBBTMMIXOMMBM-FPLPWBNLSA-N -1 3 309.304 2.658 20 0 DFADHM CCc1nc(C(=O)[N-]c2cc(-c3ccccc3F)on2)co1 ZINC000448491993 429312778 /nfs/dbraw/zinc/31/27/78/429312778.db2.gz XUEQFRNFNCWCBB-UHFFFAOYSA-N -1 3 301.277 3.283 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H]2c2cn(C)nc2C)ccc1[O-] ZINC000365890999 429397543 /nfs/dbraw/zinc/39/75/43/429397543.db2.gz QCSMELRQGOJXME-INIZCTEOSA-N -1 3 313.401 2.974 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000365928865 429404885 /nfs/dbraw/zinc/40/48/85/429404885.db2.gz PZAVIHNTJGPZEO-AWEZNQCLSA-N -1 3 316.332 2.610 20 0 DFADHM COc1ccsc1C(=O)[N-]c1cc(-c2cncc(C)c2)on1 ZINC000365984905 429408539 /nfs/dbraw/zinc/40/85/39/429408539.db2.gz BQBVCGJOTUDZRK-UHFFFAOYSA-N -1 3 315.354 3.367 20 0 DFADHM CC(C)(O)C(C)(C)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000456807016 429351678 /nfs/dbraw/zinc/35/16/78/429351678.db2.gz ZAQMULMTKJAMKL-UHFFFAOYSA-N -1 3 321.417 2.633 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCN(c2ccccn2)C1 ZINC000365844420 429385985 /nfs/dbraw/zinc/38/59/85/429385985.db2.gz WLJCHVFBTGNCRQ-LBPRGKRZSA-N -1 3 315.348 2.781 20 0 DFADHM O=C(/C=C/c1ccccc1OC(F)F)NCc1ncccc1[O-] ZINC000491966678 429444006 /nfs/dbraw/zinc/44/40/06/429444006.db2.gz URRXUVZOSKMRNX-BQYQJAHWSA-N -1 3 320.295 2.718 20 0 DFADHM Cc1cnc([C@H](C)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cn1 ZINC000518991270 429444060 /nfs/dbraw/zinc/44/40/60/429444060.db2.gz HKNIGHBSVBSOQU-KBXCAEBGSA-N -1 3 311.385 2.574 20 0 DFADHM C[C@@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000366267470 429444839 /nfs/dbraw/zinc/44/48/39/429444839.db2.gz QVWSCTWSVRVWAV-RNCFNFMXSA-N -1 3 322.361 2.590 20 0 DFADHM CCc1cc(C(=O)N(Cc2cnn(C)c2)CC(C)C)ccc1[O-] ZINC000457341603 429447870 /nfs/dbraw/zinc/44/78/70/429447870.db2.gz KBRZUENVBHWNTC-UHFFFAOYSA-N -1 3 315.417 2.987 20 0 DFADHM O=C(/C=C/c1ccc(OC(F)F)cc1)NCc1ncccc1[O-] ZINC000491997476 429448235 /nfs/dbraw/zinc/44/82/35/429448235.db2.gz FSXLRXYRFLLHFP-VMPITWQZSA-N -1 3 320.295 2.718 20 0 DFADHM CC(C)Cn1cc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cn1 ZINC000519109845 429448640 /nfs/dbraw/zinc/44/86/40/429448640.db2.gz SNJZJLSBGFDFDM-JKSUJKDBSA-N -1 3 319.430 2.837 20 0 DFADHM Cc1ccc2[nH]c([N-]S(=O)(=O)CCc3ccccc3)nc2c1 ZINC000427655148 429463134 /nfs/dbraw/zinc/46/31/34/429463134.db2.gz QJNGJEZGNVBFFL-UHFFFAOYSA-N -1 3 315.398 2.856 20 0 DFADHM Cc1ccc2nc([N-]S(=O)(=O)CCc3ccccc3)[nH]c2c1 ZINC000427655148 429463136 /nfs/dbraw/zinc/46/31/36/429463136.db2.gz QJNGJEZGNVBFFL-UHFFFAOYSA-N -1 3 315.398 2.856 20 0 DFADHM C[C@H]1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2[O-])C1 ZINC000519553967 429465687 /nfs/dbraw/zinc/46/56/87/429465687.db2.gz NQXCIFWSEDZSFD-VIFPVBQESA-N -1 3 318.295 2.571 20 0 DFADHM [O-]c1cc(F)cc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000449429898 429416522 /nfs/dbraw/zinc/41/65/22/429416522.db2.gz VJHMIOPDUOBBGK-MSOLQXFVSA-N -1 3 319.351 2.831 20 0 DFADHM CC1(C)Cc2cccc(CN[C@@H](Cc3ccco3)C(=O)[O-])c2O1 ZINC000426818602 429418938 /nfs/dbraw/zinc/41/89/38/429418938.db2.gz VXQQJKUVVXQATC-HNNXBMFYSA-N -1 3 315.369 2.779 20 0 DFADHM CCN(CC)c1ncc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)s1 ZINC000518376102 429418993 /nfs/dbraw/zinc/41/89/93/429418993.db2.gz YXTHBJDGLBGXGF-DGCLKSJQSA-N -1 3 311.451 2.532 20 0 DFADHM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000518396895 429420890 /nfs/dbraw/zinc/42/08/90/429420890.db2.gz MCZFCNRRGITLMI-INIZCTEOSA-N -1 3 300.358 2.786 20 0 DFADHM Cc1ccc(-c2cnc(CNC(=O)c3csc(=O)[n-]3)o2)cc1 ZINC000366201911 429433536 /nfs/dbraw/zinc/43/35/36/429433536.db2.gz KCWHTVLQVVQHRF-UHFFFAOYSA-N -1 3 315.354 2.742 20 0 DFADHM C[C@H](CC(=O)[O-])N(C)Cc1cncc(OCc2ccccc2)c1 ZINC000519620057 429472266 /nfs/dbraw/zinc/47/22/66/429472266.db2.gz XSYLEEIMPYFIEB-CQSZACIVSA-N -1 3 314.385 2.956 20 0 DFADHM CC(C)OC(=O)[C@H](C)NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000449665171 429473875 /nfs/dbraw/zinc/47/38/75/429473875.db2.gz MVSFUMZJSKMNTG-VIFPVBQESA-N -1 3 305.296 2.841 20 0 DFADHM CCOc1cc(/C=C/C(=O)[N-]OCC(F)(F)F)ccc1OC ZINC000492154174 429477876 /nfs/dbraw/zinc/47/78/76/429477876.db2.gz ISQNRQIAZGBBFC-FNORWQNLSA-N -1 3 319.279 2.717 20 0 DFADHM C[C@@H](O)C[C@@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000427919757 429478493 /nfs/dbraw/zinc/47/84/93/429478493.db2.gz ZQTYAXPRDPPEME-HTQZYQBOSA-N -1 3 313.810 2.681 20 0 DFADHM C[C@@H]1[C@H](C(=O)Nc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000492191214 429485226 /nfs/dbraw/zinc/48/52/26/429485226.db2.gz YWQJKROXUKRZBR-VXGBXAGGSA-N -1 3 320.389 2.976 20 0 DFADHM CCn1c(=O)[n-]nc1SCc1ncccc1C(F)(F)F ZINC000428071676 429488798 /nfs/dbraw/zinc/48/87/98/429488798.db2.gz GSMUHQVIRNSCLF-UHFFFAOYSA-N -1 3 304.297 2.710 20 0 DFADHM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1[n-]cnc1C(=O)OC ZINC000520248184 429506758 /nfs/dbraw/zinc/50/67/58/429506758.db2.gz SAURDSTWZKRFCW-QWHCGFSZSA-N -1 3 313.357 2.501 20 0 DFADHM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1nc[n-]c1C(=O)OC ZINC000520248184 429506762 /nfs/dbraw/zinc/50/67/62/429506762.db2.gz SAURDSTWZKRFCW-QWHCGFSZSA-N -1 3 313.357 2.501 20 0 DFADHM CNC(C)(C)CN=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000520276094 429508127 /nfs/dbraw/zinc/50/81/27/429508127.db2.gz CRSKYGZCOULLSQ-UHFFFAOYSA-N -1 3 315.204 2.875 20 0 DFADHM CCc1nc(CN(C)C(=O)Cc2ccc([O-])c(F)c2)cs1 ZINC000520334684 429509800 /nfs/dbraw/zinc/50/98/00/429509800.db2.gz UDYDTMSSMPBQKF-UHFFFAOYSA-N -1 3 308.378 2.751 20 0 DFADHM Fc1cc2cccnc2c(C[N-]c2nnc(C(F)(F)F)o2)c1 ZINC000428319118 429509982 /nfs/dbraw/zinc/50/99/82/429509982.db2.gz OGPMCFNHVXLIMP-UHFFFAOYSA-N -1 3 312.226 3.388 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)c1 ZINC000457944618 429552806 /nfs/dbraw/zinc/55/28/06/429552806.db2.gz CBHZDJNYDHWAPM-CABCVRRESA-N -1 3 301.386 2.596 20 0 DFADHM Cn1cc([C@H](NC(=O)Cc2ccc([O-])c(F)c2)C(C)(C)C)cn1 ZINC000450091409 429566032 /nfs/dbraw/zinc/56/60/32/429566032.db2.gz MQZLTHGVCLVUHU-INIZCTEOSA-N -1 3 319.380 2.711 20 0 DFADHM CCCOc1ccc(/C=C\C(=O)[N-]OCC(F)F)cc1OC ZINC000492559044 429566186 /nfs/dbraw/zinc/56/61/86/429566186.db2.gz HGCGXCIBZNXUIN-ALCCZGGFSA-N -1 3 315.316 2.810 20 0 DFADHM O=C(/C=C/c1ccc(Br)s1)[N-]OCC(F)F ZINC000492568126 429567064 /nfs/dbraw/zinc/56/70/64/429567064.db2.gz WCBNAZLPULDGIJ-DUXPYHPUSA-N -1 3 312.135 2.837 20 0 DFADHM CN(Cc1cc(Cl)cn1C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000450108071 429567263 /nfs/dbraw/zinc/56/72/63/429567263.db2.gz ZPIPMSHIEOYYKK-UHFFFAOYSA-N -1 3 310.756 2.724 20 0 DFADHM CCOC[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000458066161 429574835 /nfs/dbraw/zinc/57/48/35/429574835.db2.gz HYUVIOFBOLULDR-ZDUSSCGKSA-N -1 3 314.385 2.559 20 0 DFADHM COC(=O)Nc1cccc(C(=O)Nc2ccc(OC)cc2[O-])c1 ZINC000492608236 429576104 /nfs/dbraw/zinc/57/61/04/429576104.db2.gz KNCKJDNJLCBMPS-UHFFFAOYSA-N -1 3 316.313 2.831 20 0 DFADHM CCOc1nc2cc(C(=O)NCCCCSC)ccc2[n-]1 ZINC000449901157 429534655 /nfs/dbraw/zinc/53/46/55/429534655.db2.gz WVHNQQOGTUXWQS-UHFFFAOYSA-N -1 3 307.419 2.835 20 0 DFADHM CCOc1nc2ccc(C(=O)NCCCCSC)cc2[n-]1 ZINC000449901157 429534659 /nfs/dbraw/zinc/53/46/59/429534659.db2.gz WVHNQQOGTUXWQS-UHFFFAOYSA-N -1 3 307.419 2.835 20 0 DFADHM Cc1ncc(CNC(=O)C=Cc2ccc(Cl)s2)c(=O)[n-]1 ZINC000492428174 429535593 /nfs/dbraw/zinc/53/55/93/429535593.db2.gz RFTPMZGTKNOGQX-HYXAFXHYSA-N -1 3 309.778 2.535 20 0 DFADHM COc1ccc(C2(NC(=O)/C=C\c3cncc([O-])c3)CC2)cc1 ZINC000492436110 429538474 /nfs/dbraw/zinc/53/84/74/429538474.db2.gz GOAGPCMQDPBVFI-UQCOIBPSSA-N -1 3 310.353 2.615 20 0 DFADHM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492444596 429538786 /nfs/dbraw/zinc/53/87/86/429538786.db2.gz RGDDRKNCTMSPSV-UKPUQTQTSA-N -1 3 324.380 2.655 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000492450535 429540252 /nfs/dbraw/zinc/54/02/52/429540252.db2.gz RFYAXEZGPXMVKC-FYCOFBDGSA-N -1 3 324.380 2.728 20 0 DFADHM CCCOc1ccc(CNC(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000492470321 429544648 /nfs/dbraw/zinc/54/46/48/429544648.db2.gz FOTMLDGOJGVOTR-YVMONPNESA-N -1 3 312.369 2.906 20 0 DFADHM CC(C)C[C@@H]1C[C@H](NC(=O)/C=C\c2cncc([O-])c2)CCO1 ZINC000492476170 429546785 /nfs/dbraw/zinc/54/67/85/429546785.db2.gz SJIZACDLTHAOHN-RAQZUPNJSA-N -1 3 304.390 2.510 20 0 DFADHM CC(C)n1cc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cn1 ZINC000524283299 429621843 /nfs/dbraw/zinc/62/18/43/429621843.db2.gz XKRAJPIIPZRFIH-GFCCVEGCSA-N -1 3 324.384 2.797 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](CC)CSC)ccc2[n-]1 ZINC000450414259 429622410 /nfs/dbraw/zinc/62/24/10/429622410.db2.gz XKBKYYPYXXJUPD-LLVKDONJSA-N -1 3 307.419 2.833 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](CC)CSC)cc2[n-]1 ZINC000450414259 429622413 /nfs/dbraw/zinc/62/24/13/429622413.db2.gz XKBKYYPYXXJUPD-LLVKDONJSA-N -1 3 307.419 2.833 20 0 DFADHM Cc1ccc2c(c1)CN(C(=O)/C=C\c1cncc([O-])c1)CCO2 ZINC000492844630 429628773 /nfs/dbraw/zinc/62/87/73/429628773.db2.gz XXBRJFSJHSNEDB-HYXAFXHYSA-N -1 3 310.353 2.530 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC=C(c2ccncc2)C1 ZINC000492845904 429629014 /nfs/dbraw/zinc/62/90/14/429629014.db2.gz ZPTVIMXEZUXBCM-ONEGZZNKSA-N -1 3 307.353 2.511 20 0 DFADHM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429881006 429637052 /nfs/dbraw/zinc/63/70/52/429637052.db2.gz PJVZWIQLNSIYAJ-PRHODGIISA-N -1 3 324.229 2.839 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](C)c3ncc(C)o3)ccc2[n-]1 ZINC000450483187 429637783 /nfs/dbraw/zinc/63/77/83/429637783.db2.gz DYDSMOHAMHAWDQ-SNVBAGLBSA-N -1 3 314.345 2.749 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](C)c3ncc(C)o3)cc2[n-]1 ZINC000450483187 429637788 /nfs/dbraw/zinc/63/77/88/429637788.db2.gz DYDSMOHAMHAWDQ-SNVBAGLBSA-N -1 3 314.345 2.749 20 0 DFADHM CC(C)(CNC(=O)NCc1ccc([O-])c(F)c1)C1(O)CCCC1 ZINC000458433663 429638488 /nfs/dbraw/zinc/63/84/88/429638488.db2.gz XVCAJWLFSKVTEZ-UHFFFAOYSA-N -1 3 324.396 2.662 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NC[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000492940338 429649647 /nfs/dbraw/zinc/64/96/47/429649647.db2.gz JEVDPECNWWZLSI-NTWLCTACSA-N -1 3 324.380 2.694 20 0 DFADHM CCN1CCc2c(cccc2N=c2nc([C@H](C)OC)[n-]s2)C1 ZINC000367177915 429591976 /nfs/dbraw/zinc/59/19/76/429591976.db2.gz FBUWFYLSUGMWNG-NSHDSACASA-N -1 3 318.446 2.789 20 0 DFADHM Cc1noc(C)c1[N-]C(=O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000522782504 429595271 /nfs/dbraw/zinc/59/52/71/429595271.db2.gz MBMNMLNZGZTQGN-UHFFFAOYSA-N -1 3 317.736 2.778 20 0 DFADHM CC(C)(C)[C@@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)CCO1 ZINC000450308977 429596818 /nfs/dbraw/zinc/59/68/18/429596818.db2.gz PSONOMKIPSRAAI-WFASDCNBSA-N -1 3 309.381 2.784 20 0 DFADHM 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Cc1cccc2c1CC[C@H]2NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000558629922 429982300 /nfs/dbraw/zinc/98/23/00/429982300.db2.gz XIQBEFIQUBCMMV-CQSZACIVSA-N -1 3 310.332 2.823 20 0 DFADHM Cc1cccc2c1CC[C@H]2NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000558629922 429982303 /nfs/dbraw/zinc/98/23/03/429982303.db2.gz XIQBEFIQUBCMMV-CQSZACIVSA-N -1 3 310.332 2.823 20 0 DFADHM CC(C)(C)c1ccc(O)c(NC(=O)Cc2cncc([O-])c2)c1 ZINC000557464896 429940610 /nfs/dbraw/zinc/94/06/10/429940610.db2.gz AHTIHKGMXUVMJN-UHFFFAOYSA-N -1 3 300.358 2.972 20 0 DFADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC[C@@H](OC)C3)c2c1 ZINC000574326657 430031668 /nfs/dbraw/zinc/03/16/68/430031668.db2.gz FISZOWYASSRUKP-GFCCVEGCSA-N -1 3 316.357 2.557 20 0 DFADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000574338914 430033737 /nfs/dbraw/zinc/03/37/37/430033737.db2.gz GLZZAXWZOGZUGI-MRXNPFEDSA-N -1 3 318.323 2.802 20 0 DFADHM Cc1c2occ([O-])c2ccc1OCC(=O)NCC1CCCCC1 ZINC000634560396 430034900 /nfs/dbraw/zinc/03/49/00/430034900.db2.gz HAWKKIAFBAJALX-UHFFFAOYSA-N 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COC(=O)c1nc[n-]c1NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000574216685 430022213 /nfs/dbraw/zinc/02/22/13/430022213.db2.gz CFJCZUJGVQBQCB-GHMZBOCLSA-N -1 3 307.394 2.987 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000574216685 430022216 /nfs/dbraw/zinc/02/22/16/430022216.db2.gz CFJCZUJGVQBQCB-GHMZBOCLSA-N -1 3 307.394 2.987 20 0 DFADHM C[C@@H](CN(C)C)N=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000561431917 430089300 /nfs/dbraw/zinc/08/93/00/430089300.db2.gz JAPHUUFQHXHYON-QMMMGPOBSA-N -1 3 315.204 2.827 20 0 DFADHM Cc1cc(F)c([N-]S(=O)(=O)C[C@H]2CCCO2)c(Cl)c1 ZINC000530144862 430099549 /nfs/dbraw/zinc/09/95/49/430099549.db2.gz MNTCOUOIFGGVNG-SECBINFHSA-N -1 3 307.774 2.708 20 0 DFADHM [O-]c1cccnc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000561945139 430103295 /nfs/dbraw/zinc/10/32/95/430103295.db2.gz LCYWRSNDQDRCDS-HNNXBMFYSA-N -1 3 312.369 2.896 20 0 DFADHM C[C@H](c1ccsc1)N1CCN(Cc2ncccc2[O-])CC1 ZINC000561955262 430104064 /nfs/dbraw/zinc/10/40/64/430104064.db2.gz XRVQYEAOZKFMNX-CYBMUJFWSA-N -1 3 303.431 2.728 20 0 DFADHM COC1(CS(=O)(=O)[N-]c2cccc(OC(F)F)c2)CCC1 ZINC000634786496 430113206 /nfs/dbraw/zinc/11/32/06/430113206.db2.gz ITJIIWYLRLYOAZ-UHFFFAOYSA-N -1 3 321.345 2.599 20 0 DFADHM CC(=O)c1cccc(NC(=O)CCc2c(C)nn(C)c2C)c1[O-] ZINC000560551751 430054718 /nfs/dbraw/zinc/05/47/18/430054718.db2.gz FZDDUCBPZJGWKI-UHFFFAOYSA-N -1 3 315.373 2.516 20 0 DFADHM CCc1cccc(C(=O)NCCc2ccc3c(c2)CCO3)c1[O-] ZINC000560610806 430058683 /nfs/dbraw/zinc/05/86/83/430058683.db2.gz BZLHQMXROHUQJT-UHFFFAOYSA-N -1 3 311.381 2.862 20 0 DFADHM C[C@]1(CO)CCCN1Cc1cccc([O-])c1Br ZINC000560610568 430058912 /nfs/dbraw/zinc/05/89/12/430058912.db2.gz VRSCNTUWECYCLT-CYBMUJFWSA-N -1 3 300.196 2.502 20 0 DFADHM CC(C)[C@@]1(C)CC(=O)N(c2cc(F)cc(F)c2F)[N-]C1=O ZINC000634633221 430061070 /nfs/dbraw/zinc/06/10/70/430061070.db2.gz OBKUUTQCXOKZNS-CQSZACIVSA-N -1 3 300.280 2.534 20 0 DFADHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[N-]c1nncn1C1CC1 ZINC000560753248 430064479 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O=S(=O)(CCC1CCCCC1)[N-]c1cnn2c1CCCC2 ZINC000634796541 430116314 /nfs/dbraw/zinc/11/63/14/430116314.db2.gz VEQKNTWXWCQDGG-UHFFFAOYSA-N -1 3 311.451 2.932 20 0 DFADHM Cc1nn(C)c2cc([N-]c3nnc(C(F)(F)F)s3)ccc12 ZINC000577735792 430116565 /nfs/dbraw/zinc/11/65/65/430116565.db2.gz RLKNZLWEGLMVKK-UHFFFAOYSA-N -1 3 313.308 3.496 20 0 DFADHM CCc1cccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1[O-] ZINC000530879201 430126686 /nfs/dbraw/zinc/12/66/86/430126686.db2.gz XIACHRSRFXQDAP-UHFFFAOYSA-N -1 3 319.382 2.610 20 0 DFADHM CC[C@@H]1CCc2c(sc3[n-]c(Cn4ccnn4)nc(=O)c23)C1 ZINC000637796574 430132286 /nfs/dbraw/zinc/13/22/86/430132286.db2.gz YQYWYTWAYZHBGU-SECBINFHSA-N -1 3 315.402 2.552 20 0 DFADHM O=C([O-])CC1(CC(=O)NC[C@@H]2CCN2C2CCCC2)CCCC1 ZINC000634849948 430133719 /nfs/dbraw/zinc/13/37/19/430133719.db2.gz NSRAKSNPBZAXMV-HNNXBMFYSA-N -1 3 322.449 2.545 20 0 DFADHM O=C(CC1(C(=O)[O-])CCCCC1)NC[C@@H]1CCN1C1CCCC1 ZINC000634849957 430134107 /nfs/dbraw/zinc/13/41/07/430134107.db2.gz NXEBSWJTTLTTQM-HNNXBMFYSA-N -1 3 322.449 2.545 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(C)c(F)cc1F ZINC000531374959 430140115 /nfs/dbraw/zinc/14/01/15/430140115.db2.gz NSNXYFMOJZNUSB-UHFFFAOYSA-N -1 3 323.299 2.734 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(C)c(F)cc1F ZINC000531374959 430140118 /nfs/dbraw/zinc/14/01/18/430140118.db2.gz NSNXYFMOJZNUSB-UHFFFAOYSA-N -1 3 323.299 2.734 20 0 DFADHM C[C@H](CN(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1)C(C)(C)C ZINC000640351012 430146591 /nfs/dbraw/zinc/14/65/91/430146591.db2.gz WJNSKGLDJUZVPZ-GFCCVEGCSA-N -1 3 323.462 2.623 20 0 DFADHM CO[C@@H]1C[C@H](CC(=O)[O-])N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000581375823 430202294 /nfs/dbraw/zinc/20/22/94/430202294.db2.gz WGODMEZVSPRYHP-CHWSQXEVSA-N -1 3 317.307 2.769 20 0 DFADHM C[C@@H](c1ccc(Cl)cc1)N1CCN([C@@H](C(=O)[O-])C2CC2)CC1 ZINC000635016928 430198973 /nfs/dbraw/zinc/19/89/73/430198973.db2.gz PSOZMZQNSCBJNW-BLLLJJGKSA-N -1 3 322.836 2.882 20 0 DFADHM COCc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)no1 ZINC000186320686 277269810 /nfs/dbraw/zinc/26/98/10/277269810.db2.gz YMEBRVIDUCIJNB-SNVBAGLBSA-N -1 3 302.330 2.681 20 0 DFADHM CO[C@@H]1COCC[C@H]1CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000295146195 277301948 /nfs/dbraw/zinc/30/19/48/277301948.db2.gz FJAZNRHLLBBVHV-HEHGZKQESA-N -1 3 319.401 2.674 20 0 DFADHM CN(Cc1ccc(F)cc1Br)[C@@H](C(=O)[O-])C1CC1 ZINC000581434802 430207993 /nfs/dbraw/zinc/20/79/93/430207993.db2.gz MFRMUKVCDJITNX-GFCCVEGCSA-N -1 3 316.170 2.883 20 0 DFADHM O=C([O-])c1ccc(CN2CC[C@H](C3CCOCC3)C2)c(F)c1 ZINC000565485259 430213282 /nfs/dbraw/zinc/21/32/82/430213282.db2.gz BSOSOZGTCNNRIR-AWEZNQCLSA-N -1 3 307.365 2.772 20 0 DFADHM O=C([O-])c1cc(F)ccc1CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000581835868 430242918 /nfs/dbraw/zinc/24/29/18/430242918.db2.gz MLNGPVWDARYJFT-DLBZAZTESA-N -1 3 321.392 2.897 20 0 DFADHM CCCN(CCC)S(=O)(=O)[N-]c1cc(C)n(C(C)C)n1 ZINC000581877922 430246774 /nfs/dbraw/zinc/24/67/74/430246774.db2.gz NCFJOWJNHOXOIE-UHFFFAOYSA-N -1 3 302.444 2.551 20 0 DFADHM C[C@H](C1CC1)N(Cc1cc(C(=O)[O-])nn1C)Cc1ccccc1 ZINC000635300168 430247491 /nfs/dbraw/zinc/24/74/91/430247491.db2.gz KXBCEUDNPDQKER-CYBMUJFWSA-N -1 3 313.401 2.919 20 0 DFADHM C[C@@H]1CN(Cc2ncccc2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000581911176 430248027 /nfs/dbraw/zinc/24/80/27/430248027.db2.gz IZESPWOZOAMYEU-SJKOYZFVSA-N -1 3 302.349 2.888 20 0 DFADHM CC(C)[C@H](NCc1cc(C(=O)[O-])nn1C)c1ccc(F)cc1 ZINC000635303582 430248570 /nfs/dbraw/zinc/24/85/70/430248570.db2.gz LZFRAYGZUVFKGY-HNNXBMFYSA-N -1 3 305.353 2.744 20 0 DFADHM Cc1ncc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1-c1ccccc1 ZINC000566228197 430249158 /nfs/dbraw/zinc/24/91/58/430249158.db2.gz XTSPZYQTJBIBGA-DYVFJYSZSA-N -1 3 313.401 2.723 20 0 DFADHM CCCN(Cc1cc(C(=O)[O-])nn1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000635303693 430250073 /nfs/dbraw/zinc/25/00/73/430250073.db2.gz XTSDNCUSAYWHHJ-CABCVRRESA-N -1 3 323.437 2.534 20 0 DFADHM Cc1cccc(C2(NCc3cc(C(=O)[O-])nn3C)CCCC2)c1 ZINC000635306517 430250275 /nfs/dbraw/zinc/25/02/75/430250275.db2.gz AZDIPGFBBYJGHG-UHFFFAOYSA-N -1 3 313.401 2.986 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])nc(C)n1 ZINC000543539624 430251340 /nfs/dbraw/zinc/25/13/40/430251340.db2.gz WBJBNJHTJYYLRH-UHFFFAOYSA-N -1 3 322.162 2.814 20 0 DFADHM CCc1ccc(C(C)(C)CNCc2cc(C(=O)[O-])nn2C)cc1 ZINC000635309468 430251551 /nfs/dbraw/zinc/25/15/51/430251551.db2.gz QBWVQWGICXBNTG-UHFFFAOYSA-N -1 3 315.417 2.748 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CNCCCCCc1ccc(F)cc1 ZINC000635310604 430251936 /nfs/dbraw/zinc/25/19/36/430251936.db2.gz IIUOGPWWZSWMKN-UHFFFAOYSA-N -1 3 319.380 2.760 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000635313349 430252764 /nfs/dbraw/zinc/25/27/64/430252764.db2.gz KETWPPYXAVMRJJ-AULYBMBSSA-N -1 3 319.792 2.808 20 0 DFADHM C[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1nccs1 ZINC000543610599 430255616 /nfs/dbraw/zinc/25/56/16/430255616.db2.gz INCKKGLIGJETQX-JTQLQIEISA-N -1 3 313.382 2.518 20 0 DFADHM CCc1cccc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)c1[O-] ZINC000543628678 430256076 /nfs/dbraw/zinc/25/60/76/430256076.db2.gz VROMULXWAHCBRH-ZDUSSCGKSA-N -1 3 303.402 2.986 20 0 DFADHM CC(C)(CC(=O)[O-])NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000566418678 430257238 /nfs/dbraw/zinc/25/72/38/430257238.db2.gz KLIFTDQJUGRGDK-UHFFFAOYSA-N -1 3 307.781 2.869 20 0 DFADHM CCN(Cc1occc1C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566466935 430264724 /nfs/dbraw/zinc/26/47/24/430264724.db2.gz SSDWFVQCFUBBJN-UHFFFAOYSA-N -1 3 301.346 2.623 20 0 DFADHM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000544101797 430272770 /nfs/dbraw/zinc/27/27/70/430272770.db2.gz ZBSKXRLTCJMLCE-HZMBPMFUSA-N -1 3 317.476 2.891 20 0 DFADHM CCC(C)(C)c1ccc(CN2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000582246501 430281048 /nfs/dbraw/zinc/28/10/48/430281048.db2.gz CLCPDIIELDCDJP-UHFFFAOYSA-N -1 3 305.418 2.786 20 0 DFADHM Cc1nc(C(C)C)ccc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000565837316 430229632 /nfs/dbraw/zinc/22/96/32/430229632.db2.gz BFCDIDNDGHRKAC-INIZCTEOSA-N -1 3 320.433 2.969 20 0 DFADHM Cc1cc([C@@H](C)NC(=O)NCc2cnc(C)[n-]c2=O)c(C)s1 ZINC000543165706 430238444 /nfs/dbraw/zinc/23/84/44/430238444.db2.gz AZXHPICCTBKDSC-SECBINFHSA-N -1 3 320.418 2.729 20 0 DFADHM CCCCCS(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000544720356 430292486 /nfs/dbraw/zinc/29/24/86/430292486.db2.gz NHLIZSOATVRCFL-CYBMUJFWSA-N -1 3 321.483 2.852 20 0 DFADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@@](C)(O)C2)c1C ZINC000567978680 430300285 /nfs/dbraw/zinc/30/02/85/430300285.db2.gz ODGIVXCZLRPMME-QGZVFWFLSA-N -1 3 300.358 2.511 20 0 DFADHM Cc1cccc2c1ncc(C)c2N1CCO[C@@H](CC(=O)[O-])C1 ZINC000567985092 430302396 /nfs/dbraw/zinc/30/23/96/430302396.db2.gz KNPNLUNFPSHXSQ-ZDUSSCGKSA-N -1 3 300.358 2.532 20 0 DFADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(F)c[n-]c1=O)CCC2 ZINC000635566266 430307942 /nfs/dbraw/zinc/30/79/42/430307942.db2.gz WGLHJMAICUNQSB-GFCCVEGCSA-N -1 3 321.377 2.841 20 0 DFADHM C[C@@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@H](C)C(=O)[O-] ZINC000568059461 430310970 /nfs/dbraw/zinc/31/09/70/430310970.db2.gz AMYNVYVCXHQICS-QWHCGFSZSA-N -1 3 313.401 2.560 20 0 DFADHM Cc1ccc(-c2noc(CN3C[C@@H](C)[C@](C)(C(=O)[O-])C3)n2)cc1 ZINC000568072696 430312633 /nfs/dbraw/zinc/31/26/33/430312633.db2.gz LGBBIKGGWHCAQU-SJKOYZFVSA-N -1 3 315.373 2.588 20 0 DFADHM COc1ccccc1[C@@H]1CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000568067575 430312776 /nfs/dbraw/zinc/31/27/76/430312776.db2.gz ZTPIEERFNNQIMR-CQSZACIVSA-N -1 3 312.369 2.778 20 0 DFADHM Nc1cccc(C2CCN(C(=O)c3cc(F)c[n-]c3=O)CC2)c1 ZINC000638352131 430313011 /nfs/dbraw/zinc/31/30/11/430313011.db2.gz MKWOGJQTOYNOCQ-UHFFFAOYSA-N -1 3 315.348 2.528 20 0 DFADHM [O-]c1ccc(Cl)c(Cn2cc([C@H]3CCCC[C@H]3O)nn2)c1 ZINC000641070796 430320214 /nfs/dbraw/zinc/32/02/14/430320214.db2.gz NDGLCXBWUVEVJJ-IUODEOHRSA-N -1 3 307.781 2.704 20 0 DFADHM CCc1cc(C(=O)NCc2ccc(O)c(OC)c2)ccc1[O-] ZINC000582701109 430324682 /nfs/dbraw/zinc/32/46/82/430324682.db2.gz RRIHAAZAUCNHOH-UHFFFAOYSA-N -1 3 301.342 2.599 20 0 DFADHM Cc1ccc([C@H]2CCN(C(=O)c3cccc4[n-]nnc43)C2)cc1 ZINC000582704433 430324745 /nfs/dbraw/zinc/32/47/45/430324745.db2.gz YRWTUJYFOZGSJF-AWEZNQCLSA-N -1 3 306.369 2.896 20 0 DFADHM Cc1ccc([C@H]2CCN(C(=O)c3cccc4nn[n-]c43)C2)cc1 ZINC000582704433 430324749 /nfs/dbraw/zinc/32/47/49/430324749.db2.gz YRWTUJYFOZGSJF-AWEZNQCLSA-N -1 3 306.369 2.896 20 0 DFADHM Cc1ccc([C@H]2CCN(C(=O)c3cccc4n[n-]nc43)C2)cc1 ZINC000582704433 430324753 /nfs/dbraw/zinc/32/47/53/430324753.db2.gz YRWTUJYFOZGSJF-AWEZNQCLSA-N -1 3 306.369 2.896 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)n1 ZINC000582707400 430325508 /nfs/dbraw/zinc/32/55/08/430325508.db2.gz FPHGYEAAFAQUKM-XQLPTFJDSA-N -1 3 305.422 2.567 20 0 DFADHM Cc1cc2cc(CNC(=O)c3cc(=O)[n-]c(C4CC4)n3)ccc2[nH]1 ZINC000568213085 430333587 /nfs/dbraw/zinc/33/35/87/430333587.db2.gz RQTMANLIMMXPCM-UHFFFAOYSA-N -1 3 322.368 2.779 20 0 DFADHM CSCCN(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000582791101 430334315 /nfs/dbraw/zinc/33/43/15/430334315.db2.gz PROORWRDDRNTIH-UHFFFAOYSA-N -1 3 303.811 2.712 20 0 DFADHM O=C(NCCc1cccc2[nH]ccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568219186 430335496 /nfs/dbraw/zinc/33/54/96/430335496.db2.gz LAOXOWWABYYGDS-UHFFFAOYSA-N -1 3 322.368 2.513 20 0 DFADHM C[C@H](NC(=O)Cc1cncc([O-])c1)c1ccccc1OC(F)F ZINC000568232317 430336056 /nfs/dbraw/zinc/33/60/56/430336056.db2.gz LPPCEMYZARMOHB-JTQLQIEISA-N -1 3 322.311 2.809 20 0 DFADHM CCCc1nc(C(=O)[N-]c2nncn2Cc2ccccc2)co1 ZINC000546101873 430345746 /nfs/dbraw/zinc/34/57/46/430345746.db2.gz CWCAPYAPFLEVQJ-UHFFFAOYSA-N -1 3 311.345 2.519 20 0 DFADHM CN(Cc1ccc(C(C)(C)C)cc1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000546151870 430348154 /nfs/dbraw/zinc/34/81/54/430348154.db2.gz LUBMKECOFHNMCY-UHFFFAOYSA-N -1 3 310.405 2.651 20 0 DFADHM CC(C)n1ccc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC000568992645 430412077 /nfs/dbraw/zinc/41/20/77/430412077.db2.gz TZOGHWNLUCBTEG-SFHVURJKSA-N -1 3 313.401 2.692 20 0 DFADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000568404022 430356565 /nfs/dbraw/zinc/35/65/65/430356565.db2.gz AWAJACRRSAUVGM-MFKMUULPSA-N -1 3 304.321 2.776 20 0 DFADHM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000568404020 430357589 /nfs/dbraw/zinc/35/75/89/430357589.db2.gz AWAJACRRSAUVGM-GWCFXTLKSA-N -1 3 304.321 2.776 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000568419269 430358127 /nfs/dbraw/zinc/35/81/27/430358127.db2.gz BDBJPFRDDLKFKM-NXEZZACHSA-N -1 3 319.748 2.592 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000568419269 430358131 /nfs/dbraw/zinc/35/81/31/430358131.db2.gz BDBJPFRDDLKFKM-NXEZZACHSA-N -1 3 319.748 2.592 20 0 DFADHM CCN(CC)c1ncc(CN2CCC[C@@H](CC(=O)[O-])C2)s1 ZINC000583131312 430366092 /nfs/dbraw/zinc/36/60/92/430366092.db2.gz RCOBWARMYBPZMI-LBPRGKRZSA-N -1 3 311.451 2.676 20 0 DFADHM CC(C)C[C@H](C(=O)[N-]c1nncn1-c1ccccc1)n1ccnc1 ZINC000635752524 430367642 /nfs/dbraw/zinc/36/76/42/430367642.db2.gz FMKASNHTNKXBSY-OAHLLOKOSA-N -1 3 324.388 2.690 20 0 DFADHM CC(=O)c1cc(F)c([N-]C(=O)c2cn3c(n2)CCC3)c(F)c1F ZINC000583264017 430379009 /nfs/dbraw/zinc/37/90/09/430379009.db2.gz COCXSKVQOLTNHY-UHFFFAOYSA-N -1 3 323.274 2.702 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)c1nccs1 ZINC000641336203 430387020 /nfs/dbraw/zinc/38/70/20/430387020.db2.gz CHHCJUJSRNRKNN-WCBMZHEXSA-N -1 3 310.391 2.559 20 0 DFADHM Cc1ccc(C(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)c([O-])c1C ZINC000547367037 430387581 /nfs/dbraw/zinc/38/75/81/430387581.db2.gz JRKWLJCKONLGDQ-FUHWJXTLSA-N -1 3 303.402 2.944 20 0 DFADHM COc1ccc(Br)cc1CNC(C)(C)CC(=O)[O-] ZINC000583448617 430395962 /nfs/dbraw/zinc/39/59/62/430395962.db2.gz IKLCEKVKAFYGLH-UHFFFAOYSA-N -1 3 316.195 2.801 20 0 DFADHM C[C@@H]1CN(CCOc2ccc(F)cc2Cl)C[C@]1(C)C(=O)[O-] ZINC000568873576 430399963 /nfs/dbraw/zinc/39/99/63/430399963.db2.gz AWFPQZYGSLLPGY-BMIGLBTASA-N -1 3 315.772 2.901 20 0 DFADHM O=C([N-]c1cnc(CC2CC2)nc1)c1ocnc1C(F)(F)F ZINC000635905378 430408449 /nfs/dbraw/zinc/40/84/49/430408449.db2.gz DRSYPOMFCUMVDS-UHFFFAOYSA-N -1 3 312.251 2.688 20 0 DFADHM CN1CCCC[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1=O ZINC000635899862 430409327 /nfs/dbraw/zinc/40/93/27/430409327.db2.gz RKXYFEAFGVRGEN-CYBMUJFWSA-N -1 3 318.417 2.887 20 0 DFADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc(Oc2ccccc2)nn1 ZINC000583877785 430437410 /nfs/dbraw/zinc/43/74/10/430437410.db2.gz XXRIOWVUVSJWQE-DOMZBBRYSA-N -1 3 313.357 2.564 20 0 DFADHM O=S(=O)(CCC1CCCC1)[N-]c1c(F)cccc1CO ZINC000641685290 430442521 /nfs/dbraw/zinc/44/25/21/430442521.db2.gz HDQDHAMYBKHFLK-UHFFFAOYSA-N -1 3 301.383 2.640 20 0 DFADHM COCC1(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)CC1 ZINC000641690835 430443236 /nfs/dbraw/zinc/44/32/36/430443236.db2.gz UQXGGQUFFBIZAZ-UHFFFAOYSA-N -1 3 312.416 2.525 20 0 DFADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)C(F)F)cc2)co1 ZINC000641702441 430445469 /nfs/dbraw/zinc/44/54/69/430445469.db2.gz PVSZAQWNOUTMGX-QMMMGPOBSA-N -1 3 316.329 2.582 20 0 DFADHM Cc1ccnc([C@@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000636039114 430445777 /nfs/dbraw/zinc/44/57/77/430445777.db2.gz DESROONCMTUKNO-GFCCVEGCSA-N -1 3 311.385 2.860 20 0 DFADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1cnn(-c2ccccc2)c1 ZINC000583999242 430449648 /nfs/dbraw/zinc/44/96/48/430449648.db2.gz AOWFFOZPMDBYRM-INIZCTEOSA-N -1 3 301.390 2.803 20 0 DFADHM O=S(=O)([N-]c1cccc(O)c1F)c1ccc2ncsc2c1 ZINC000548150058 430450990 /nfs/dbraw/zinc/45/09/90/430450990.db2.gz FCDXAOVSTBBRTD-UHFFFAOYSA-N -1 3 324.358 2.942 20 0 DFADHM CCC[C@H](C)c1cc([N-]C(=O)c2ocnc2C(F)(F)F)n[nH]1 ZINC000636059801 430452049 /nfs/dbraw/zinc/45/20/49/430452049.db2.gz IPJQLOGVUWISRF-ZETCQYMHSA-N -1 3 316.283 3.572 20 0 DFADHM Cc1noc([C@@H]2CCCN([C@@H](C)c3ccc(C(=O)[O-])o3)C2)n1 ZINC000584058912 430454289 /nfs/dbraw/zinc/45/42/89/430454289.db2.gz TWOFQMHWBPTVHE-GXSJLCMTSA-N -1 3 305.334 2.610 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCC[C@H](F)C3)c[n-]c12 ZINC000569460275 430455916 /nfs/dbraw/zinc/45/59/16/430455916.db2.gz SLWWUBVSNYJTNV-JQWIXIFHSA-N -1 3 320.339 2.986 20 0 DFADHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(=O)[O-])c1 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CCc1cc(C(=O)N2CCC=C(c3cnn(C)c3)C2)ccc1[O-] ZINC000636166576 430479606 /nfs/dbraw/zinc/47/96/06/430479606.db2.gz BEKBDWLLHATUMF-UHFFFAOYSA-N -1 3 311.385 2.618 20 0 DFADHM O=C([O-])C[C@H]1CCCN1CCOc1ccc(F)cc1Cl ZINC000583698816 430421579 /nfs/dbraw/zinc/42/15/79/430421579.db2.gz PZNGAVGUFOTZPW-LLVKDONJSA-N -1 3 301.745 2.797 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCc2ccc(Cl)cc21 ZINC000583761037 430425686 /nfs/dbraw/zinc/42/56/86/430425686.db2.gz DNCNIZIXESWXOW-UHFFFAOYSA-N -1 3 315.760 2.916 20 0 DFADHM CC(=O)c1cccc(NC(=O)[C@H](C)c2c(C)nn(C)c2C)c1[O-] ZINC000583755674 430426270 /nfs/dbraw/zinc/42/62/70/430426270.db2.gz ZZXQPBGCLHKGMH-SECBINFHSA-N -1 3 315.373 2.687 20 0 DFADHM O=S(=O)([N-]CC1CSC1)c1ccc(Cl)c(Cl)c1 ZINC000641614165 430428541 /nfs/dbraw/zinc/42/85/41/430428541.db2.gz WONUAVPHVULBHB-UHFFFAOYSA-N -1 3 312.243 2.635 20 0 DFADHM C[C@@H]1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)[C@@H]1C ZINC000408148577 277746279 /nfs/dbraw/zinc/74/62/79/277746279.db2.gz CFNNGRXQUJTJIM-RKDXNWHRSA-N 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O=S(=O)([N-][C@H]1CCc2sc(Cl)cc21)c1ccccn1 ZINC000554912387 430656155 /nfs/dbraw/zinc/65/61/55/430656155.db2.gz GYARKDRLKXYBMK-VIFPVBQESA-N -1 3 314.819 2.762 20 0 DFADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2cc[nH]c(=O)c2)CC1 ZINC000639522409 430662140 /nfs/dbraw/zinc/66/21/40/430662140.db2.gz OUTPJVAVVFDNMQ-UHFFFAOYSA-N -1 3 312.369 2.588 20 0 DFADHM O=C(Cc1cncc([O-])c1)NCCSCc1ccccc1F ZINC000552866773 430603648 /nfs/dbraw/zinc/60/36/48/430603648.db2.gz RBDQTLWXJFUGDW-UHFFFAOYSA-N -1 3 320.389 2.518 20 0 DFADHM CCn1ccnc1C[N-]c1nnc(-c2ccc(Cl)s2)o1 ZINC000622003122 430608343 /nfs/dbraw/zinc/60/83/43/430608343.db2.gz MGAXXJRGQKIVIE-UHFFFAOYSA-N -1 3 309.782 3.280 20 0 DFADHM CC1(C)CN(S(=O)(=O)c2ccc([O-])cc2)[C@H]1c1cccnc1 ZINC000571199335 430611297 /nfs/dbraw/zinc/61/12/97/430611297.db2.gz HMFXRKHDUYYGPY-HNNXBMFYSA-N -1 3 318.398 2.559 20 0 DFADHM Cc1nccc(-c2cccc(NC(=O)Cc3cncc([O-])c3)c2)n1 ZINC000553302656 430613473 /nfs/dbraw/zinc/61/34/73/430613473.db2.gz SJDXBLJDACDARC-UHFFFAOYSA-N -1 3 320.352 2.734 20 0 DFADHM CC[C@H](CC(F)(F)F)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571533857 430635529 /nfs/dbraw/zinc/63/55/29/430635529.db2.gz CGFIHMJCGLVOIT-MRVPVSSYSA-N -1 3 303.284 2.520 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CC[C@](F)(c2ccccc2)C1 ZINC000571539829 430636007 /nfs/dbraw/zinc/63/60/07/430636007.db2.gz HEIRPAYACYTPDA-QGZVFWFLSA-N -1 3 310.332 2.669 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CC[C@](F)(c2ccccc2)C1 ZINC000571539829 430636009 /nfs/dbraw/zinc/63/60/09/430636009.db2.gz HEIRPAYACYTPDA-QGZVFWFLSA-N -1 3 310.332 2.669 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CC[C@](F)(c2ccccc2)C1 ZINC000571539829 430636012 /nfs/dbraw/zinc/63/60/12/430636012.db2.gz HEIRPAYACYTPDA-QGZVFWFLSA-N -1 3 310.332 2.669 20 0 DFADHM CC1(C)N[C@@H](c2ccc([O-])c(F)c2)N(c2ccccc2)C1=O ZINC000639418937 430636777 /nfs/dbraw/zinc/63/67/77/430636777.db2.gz AXJNZSYWBCKURH-OAHLLOKOSA-N -1 3 300.333 2.945 20 0 DFADHM COc1cccc2c1O[C@H](c1ncccc1C(F)(F)F)[N-]C2=O ZINC000639427404 430637467 /nfs/dbraw/zinc/63/74/67/430637467.db2.gz CGTKWLHNAFABIB-CQSZACIVSA-N -1 3 324.258 2.930 20 0 DFADHM COc1cccc2c1O[C@@H](c1cc(F)c(F)cc1F)[N-]C2=O ZINC000639434344 430637687 /nfs/dbraw/zinc/63/76/87/430637687.db2.gz RUJBWJAKKCPZBU-HNNXBMFYSA-N -1 3 309.243 2.934 20 0 DFADHM CCc1nn(C)cc1CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000643898521 430641873 /nfs/dbraw/zinc/64/18/73/430641873.db2.gz BUSWZFCJEIVFJD-BLLLJJGKSA-N -1 3 301.390 2.534 20 0 DFADHM CC(C)N(Cc1ccccn1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000554562881 430644518 /nfs/dbraw/zinc/64/45/18/430644518.db2.gz FNQAIXIYAMLMMM-UHFFFAOYSA-N -1 3 313.336 2.543 20 0 DFADHM CC(C)N(Cc1ccccn1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000554562881 430644520 /nfs/dbraw/zinc/64/45/20/430644520.db2.gz FNQAIXIYAMLMMM-UHFFFAOYSA-N -1 3 313.336 2.543 20 0 DFADHM CC(C)N(Cc1ccccn1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000554562881 430644523 /nfs/dbraw/zinc/64/45/23/430644523.db2.gz FNQAIXIYAMLMMM-UHFFFAOYSA-N -1 3 313.336 2.543 20 0 DFADHM O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(C(F)F)[n-]n1 ZINC000639466655 430647627 /nfs/dbraw/zinc/64/76/27/430647627.db2.gz YDBHANWQQNADHE-UHFFFAOYSA-N -1 3 320.299 2.726 20 0 DFADHM COCCOc1cccc(NC(=O)c2cc(C(F)F)[n-]n2)c1 ZINC000639551146 430669742 /nfs/dbraw/zinc/66/97/42/430669742.db2.gz HGOWOYVKGPYADP-UHFFFAOYSA-N -1 3 311.288 2.625 20 0 DFADHM CC1(C)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H]2CCC[C@H]21 ZINC000572057079 430669740 /nfs/dbraw/zinc/66/97/40/430669740.db2.gz IMUNCNYMTDSGIP-DGCLKSJQSA-N -1 3 301.390 2.710 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cn1 ZINC000572075665 430670668 /nfs/dbraw/zinc/67/06/68/430670668.db2.gz AWBCORAXGQZTES-UHFFFAOYSA-N -1 3 300.742 2.983 20 0 DFADHM Cc1nnc([C@@H](C)NCc2cc([O-])cc(C(F)(F)F)c2)o1 ZINC000639583483 430675344 /nfs/dbraw/zinc/67/53/44/430675344.db2.gz FDNGRYZWCBFUJH-SSDOTTSWSA-N -1 3 301.268 2.953 20 0 DFADHM O=C(c1cc([O-])ccc1F)N1CCC(C2CCOCC2)CC1 ZINC000572212308 430675739 /nfs/dbraw/zinc/67/57/39/430675739.db2.gz PTBPPICITNVGQO-UHFFFAOYSA-N -1 3 307.365 2.810 20 0 DFADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000572250304 430678091 /nfs/dbraw/zinc/67/80/91/430678091.db2.gz NVDNTCJFALGZIM-HUUCEWRRSA-N -1 3 306.406 2.805 20 0 DFADHM O=S(=O)([N-][C@H]1CCCc2c(F)cccc21)c1ccccn1 ZINC000572334568 430682075 /nfs/dbraw/zinc/68/20/75/430682075.db2.gz VVGJMKBOPAIWHK-AWEZNQCLSA-N -1 3 306.362 2.577 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c(F)c1 ZINC000572343807 430682666 /nfs/dbraw/zinc/68/26/66/430682666.db2.gz ZRGIRTNOOMVAEH-UHFFFAOYSA-N -1 3 313.394 2.835 20 0 DFADHM CCCCc1noc([C@@H](C)N2CC[C@](C(=O)[O-])(C(C)C)C2)n1 ZINC000572490223 430688470 /nfs/dbraw/zinc/68/84/70/430688470.db2.gz XNCRRSJQUQSWNB-MLGOLLRUSA-N -1 3 309.410 2.906 20 0 DFADHM O=c1[n-]nc(C2CCN(Cc3cccc4ncccc34)CC2)o1 ZINC000639626732 430684652 /nfs/dbraw/zinc/68/46/52/430684652.db2.gz YBCBDDXLRJTORN-UHFFFAOYSA-N -1 3 310.357 2.703 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000572534309 430689880 /nfs/dbraw/zinc/68/98/80/430689880.db2.gz WJPXEBHEOZDGTF-OAHLLOKOSA-N -1 3 315.772 2.792 20 0 DFADHM CO[C@H]1C[C@H](C(=O)[O-])N(CCc2cccc(Cl)c2Cl)C1 ZINC000572609342 430692639 /nfs/dbraw/zinc/69/26/39/430692639.db2.gz MRXCQBNBNBDRSJ-CMPLNLGQSA-N -1 3 318.200 2.710 20 0 DFADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(C2CCCC2)no1 ZINC000572718342 430695917 /nfs/dbraw/zinc/69/59/17/430695917.db2.gz TVSWRGWCYHZPSK-MCIONIFRSA-N -1 3 319.405 2.945 20 0 DFADHM CC[C@H](CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1)OC ZINC000572729104 430696293 /nfs/dbraw/zinc/69/62/93/430696293.db2.gz PDJASNRQLIAVMQ-GFCCVEGCSA-N -1 3 301.333 2.667 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCc2noc(-c3cccs3)n2)c1 ZINC000556946096 430696435 /nfs/dbraw/zinc/69/64/35/430696435.db2.gz KRAUZBKOQVMPLH-UHFFFAOYSA-N -1 3 315.354 2.742 20 0 DFADHM Cc1nc2ccc(CNC3(c4nn[n-]n4)CCCC3)cc2s1 ZINC000572791282 430696978 /nfs/dbraw/zinc/69/69/78/430696978.db2.gz ILXYVJATANZWLM-UHFFFAOYSA-N -1 3 314.418 2.677 20 0 DFADHM Cc1nc2ccc(CNC3(c4nnn[n-]4)CCCC3)cc2s1 ZINC000572791282 430696979 /nfs/dbraw/zinc/69/69/79/430696979.db2.gz ILXYVJATANZWLM-UHFFFAOYSA-N -1 3 314.418 2.677 20 0 DFADHM CCc1noc(CC)c1CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000556892104 430695720 /nfs/dbraw/zinc/69/57/20/430695720.db2.gz IXIHRKLTWIKSPU-UHFFFAOYSA-N -1 3 316.357 2.889 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2cn3ccnc3s2)c1[O-] ZINC000556892030 430695722 /nfs/dbraw/zinc/69/57/22/430695722.db2.gz GKQGKTQGOMXVPR-UHFFFAOYSA-N -1 3 301.327 2.556 20 0 DFADHM CC[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1ncccc1[O-] ZINC000661464180 430723099 /nfs/dbraw/zinc/72/30/99/430723099.db2.gz ZMRIUHIEDDYROS-AWEZNQCLSA-N -1 3 317.364 2.747 20 0 DFADHM Cc1ccc([O-])c(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)n1 ZINC000657748628 430724046 /nfs/dbraw/zinc/72/40/46/430724046.db2.gz VTAGKPLVAGKEMA-MSOLQXFVSA-N -1 3 300.402 2.943 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CC(C)(C)[C@H]2c2cccnc2)on1 ZINC000664827437 430757011 /nfs/dbraw/zinc/75/70/11/430757011.db2.gz LEPBSAGAHRCGCV-IUODEOHRSA-N -1 3 314.389 2.788 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CC(C)(C)[C@H]2c2ccncc2)on1 ZINC000664830668 430757681 /nfs/dbraw/zinc/75/76/81/430757681.db2.gz BHKBESLXHMIULA-IUODEOHRSA-N -1 3 314.389 2.788 20 0 DFADHM CCOc1cc(-c2noc(-c3cn(CC)cn3)n2)ccc1[O-] ZINC000664845168 430761113 /nfs/dbraw/zinc/76/11/13/430761113.db2.gz KSPGATUXDCGMRU-UHFFFAOYSA-N -1 3 300.318 2.724 20 0 DFADHM COc1ccc2c(c1)[C@H](C(=O)Nc1nnc(SC)[n-]1)CCC2 ZINC000654655796 430768817 /nfs/dbraw/zinc/76/88/17/430768817.db2.gz WSVLSJBVRQLOOV-LLVKDONJSA-N -1 3 318.402 2.594 20 0 DFADHM COc1ccc2c(c1)[C@H](C(=O)Nc1nc(SC)n[n-]1)CCC2 ZINC000654655796 430768821 /nfs/dbraw/zinc/76/88/21/430768821.db2.gz WSVLSJBVRQLOOV-LLVKDONJSA-N -1 3 318.402 2.594 20 0 DFADHM COc1ccc2c(c1)[C@H](C(=O)Nc1n[n-]c(SC)n1)CCC2 ZINC000654655796 430768825 /nfs/dbraw/zinc/76/88/25/430768825.db2.gz WSVLSJBVRQLOOV-LLVKDONJSA-N -1 3 318.402 2.594 20 0 DFADHM CC[C@H](C(=O)[O-])N(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000648400477 430774353 /nfs/dbraw/zinc/77/43/53/430774353.db2.gz SHKKAJRTQIGEJL-MRXNPFEDSA-N -1 3 301.390 2.784 20 0 DFADHM COCCC1CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000644770175 430818999 /nfs/dbraw/zinc/81/89/99/430818999.db2.gz ZOWIHPWIEXYMMK-UHFFFAOYSA-N -1 3 313.397 2.973 20 0 DFADHM C[C@@H]1CCN(C(=O)[C@H]2CCn3cncc3C2)c2c([O-])cccc21 ZINC000329872210 278538704 /nfs/dbraw/zinc/53/87/04/278538704.db2.gz CYTORJPHRKBECG-OLZOCXBDSA-N -1 3 311.385 2.692 20 0 DFADHM Cc1ccc(CC[C@@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)o1 ZINC000654836709 430824900 /nfs/dbraw/zinc/82/49/00/430824900.db2.gz ZRUVQJDNWSBICA-SNVBAGLBSA-N -1 3 315.373 2.712 20 0 DFADHM CO[C@H](CC(=O)N1CCCc2cccc([O-])c21)C(F)(F)F ZINC000651620523 430832116 /nfs/dbraw/zinc/83/21/16/430832116.db2.gz HHGGFMPVPXFUKJ-LLVKDONJSA-N -1 3 303.280 2.639 20 0 DFADHM CCC1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)CCOCC1 ZINC000651620503 430832740 /nfs/dbraw/zinc/83/27/40/430832740.db2.gz GJKVJDMOVVDOOL-UHFFFAOYSA-N -1 3 321.801 2.717 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)[C@H]1CCCCO1 ZINC000651630866 430835005 /nfs/dbraw/zinc/83/50/05/430835005.db2.gz STNYVCPSDSWSET-NOZJJQNGSA-N -1 3 321.801 2.715 20 0 DFADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CC12CCC2 ZINC000648431761 430784598 /nfs/dbraw/zinc/78/45/98/430784598.db2.gz CJAVEAIFZSPLGS-ZETCQYMHSA-N -1 3 307.703 2.649 20 0 DFADHM CCC(CC)(CC)C(=O)N=c1[n-]n(C)cc1Br ZINC000648439476 430786555 /nfs/dbraw/zinc/78/65/55/430786555.db2.gz OKYBEJDZNMWFOV-UHFFFAOYSA-N -1 3 302.216 2.759 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCn2c(cc3ccccc32)C1 ZINC000644726833 430802442 /nfs/dbraw/zinc/80/24/42/430802442.db2.gz BSANLQUJPZUWRU-UHFFFAOYSA-N -1 3 317.352 2.569 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCn2c(cc3ccccc32)C1 ZINC000644726833 430802444 /nfs/dbraw/zinc/80/24/44/430802444.db2.gz BSANLQUJPZUWRU-UHFFFAOYSA-N -1 3 317.352 2.569 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCn2c(cc3ccccc32)C1 ZINC000644726833 430802450 /nfs/dbraw/zinc/80/24/50/430802450.db2.gz BSANLQUJPZUWRU-UHFFFAOYSA-N -1 3 317.352 2.569 20 0 DFADHM CCc1nc(C)c(C(=O)[N-]c2ncnc3oc(C)c(C)c32)o1 ZINC000658179740 430836776 /nfs/dbraw/zinc/83/67/76/430836776.db2.gz VAVJGCSCOPVAMK-UHFFFAOYSA-N -1 3 300.318 2.951 20 0 DFADHM C[C@H]1CN(c2cccc(F)c2)CCN1Cc1ncccc1[O-] ZINC000644841449 430847550 /nfs/dbraw/zinc/84/75/50/430847550.db2.gz VRZWZAWPKGXPBT-ZDUSSCGKSA-N -1 3 301.365 2.637 20 0 DFADHM O=C(Nc1ncccc1[O-])[C@@H]1CSC[C@H]1c1ccccc1 ZINC000651705175 430853282 /nfs/dbraw/zinc/85/32/82/430853282.db2.gz KAXUIHYCLGAYJR-QWHCGFSZSA-N -1 3 300.383 2.873 20 0 DFADHM COc1ccc(C(=O)N2C[C@H](C)OC3(CCCC3)C2)c([O-])c1 ZINC000648692480 430859070 /nfs/dbraw/zinc/85/90/70/430859070.db2.gz CSNNMQPERSYMAS-LBPRGKRZSA-N -1 3 305.374 2.575 20 0 DFADHM C[N-]S(=O)(=O)c1ccc(-c2csc(COC)c2)s1 ZINC000665220019 430860821 /nfs/dbraw/zinc/86/08/21/430860821.db2.gz OWXCURZXPVGUMH-UHFFFAOYSA-N -1 3 303.430 2.531 20 0 DFADHM Cc1cccc([C@@H]2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)C2)c1 ZINC000654997267 430862807 /nfs/dbraw/zinc/86/28/07/430862807.db2.gz PNAVRIXSGVOKKH-OAHLLOKOSA-N -1 3 323.396 2.998 20 0 DFADHM O=C(NCc1ccc(Cl)cc1F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655007853 430866215 /nfs/dbraw/zinc/86/62/15/430866215.db2.gz PGDDVVIVHRHKPA-UHFFFAOYSA-N -1 3 321.739 2.782 20 0 DFADHM O=C([C@@H]1CCC[C@H]1c1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000655027367 430872446 /nfs/dbraw/zinc/87/24/46/430872446.db2.gz YSMCEOYCAKYUOX-LSDHHAIUSA-N -1 3 323.396 2.651 20 0 DFADHM COc1cc(C)cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000655036486 430876274 /nfs/dbraw/zinc/87/62/74/430876274.db2.gz SVOTZRHUKDOZJI-UHFFFAOYSA-N -1 3 313.357 2.937 20 0 DFADHM CSc1cc(F)ccc1[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000648620351 430839722 /nfs/dbraw/zinc/83/97/22/430839722.db2.gz HYEYFFFULCXEHC-UHFFFAOYSA-N -1 3 307.350 2.779 20 0 DFADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2)o1 ZINC000651647440 430840833 /nfs/dbraw/zinc/84/08/33/430840833.db2.gz PTJRKBIJFPXWNS-UHFFFAOYSA-N -1 3 318.757 2.508 20 0 DFADHM CO[C@@H](C)C[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651663602 430843812 /nfs/dbraw/zinc/84/38/12/430843812.db2.gz PZIIHFOXSMWGAR-LURJTMIESA-N -1 3 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CO[C@H](C[C@H](NCc1sccc1Cl)C(=O)[O-])C1CC1 ZINC000653508407 431412357 /nfs/dbraw/zinc/41/23/57/431412357.db2.gz GTMRHYJIUZDLIF-WDEREUQCSA-N -1 3 303.811 2.759 20 0 DFADHM Cc1cc([N-]S(=O)(=O)CCCCF)cnc1C(F)(F)F ZINC000656638214 431456425 /nfs/dbraw/zinc/45/64/25/431456425.db2.gz VRBAIWWUNPWIFO-UHFFFAOYSA-N -1 3 314.304 2.900 20 0 DFADHM CC(C)(C)C[C@H](CO)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646954510 431428215 /nfs/dbraw/zinc/42/82/15/431428215.db2.gz LNSSKPSVNGZULM-LLVKDONJSA-N -1 3 319.323 2.938 20 0 DFADHM CCc1onc(C)c1[N-]C(=O)c1cc(N2CCCCC2)ncn1 ZINC000646946891 431430136 /nfs/dbraw/zinc/43/01/36/431430136.db2.gz BVLONXRJMHYOCI-UHFFFAOYSA-N -1 3 315.377 2.578 20 0 DFADHM C[C@@H](c1ccccc1)[C@@H](NCc1nc2ccccc2n1C)C(=O)[O-] ZINC000656569753 431433141 /nfs/dbraw/zinc/43/31/41/431433141.db2.gz SIPYGYKPWNGFPI-SCLBCKFNSA-N -1 3 323.396 2.920 20 0 DFADHM O=C([O-])[C@@H](Cc1ccco1)NCc1cccc(OC2CC2)c1F ZINC000656574372 431434875 /nfs/dbraw/zinc/43/48/75/431434875.db2.gz 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431508883 /nfs/dbraw/zinc/50/88/83/431508883.db2.gz IUGLZDOWQWPNFH-QLFBSQMISA-N -1 3 304.390 2.556 20 0 DFADHM COc1cccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)n1 ZINC000656767391 431509295 /nfs/dbraw/zinc/50/92/95/431509295.db2.gz VDALFTOWUBSDJU-ILXRZTDVSA-N -1 3 304.390 2.556 20 0 DFADHM C[C@H]1[C@H](C)N(C(=O)c2cc([O-])ccc2C(F)(F)F)CCN1C ZINC000356643116 280109798 /nfs/dbraw/zinc/10/97/98/280109798.db2.gz AQBSAISGLAVYIW-UWVGGRQHSA-N -1 3 316.323 2.576 20 0 DFADHM CC(C)[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)N1CCCCC1 ZINC000263123441 280148338 /nfs/dbraw/zinc/14/83/38/280148338.db2.gz KWAUXQOTXZJZTE-NVXWUHKLSA-N -1 3 324.465 2.600 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NCCO[C@@H]2CCCC[C@@H]2C)n1 ZINC000660745557 431575264 /nfs/dbraw/zinc/57/52/64/431575264.db2.gz DYNZGOXJTHPTDD-GXTWGEPZSA-N -1 3 307.438 2.911 20 0 DFADHM CC[C@](C)(C[N-]S(=O)(=O)Cc1cc(F)ccc1Cl)OC ZINC000657003788 431575652 /nfs/dbraw/zinc/57/56/52/431575652.db2.gz IRGLHFUXAZONIK-CYBMUJFWSA-N -1 3 323.817 2.714 20 0 DFADHM C[C@H]1OCC[C@@H]1c1n[n-]c(=NC(C)(C)C)n1Cc1ccccc1 ZINC000647393125 431577692 /nfs/dbraw/zinc/57/76/92/431577692.db2.gz VQHWLJQGXJMRKD-HIFRSBDPSA-N -1 3 314.433 2.851 20 0 DFADHM CCOc1ccc(C(C)=O)cc1CN1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000650503807 431593912 /nfs/dbraw/zinc/59/39/12/431593912.db2.gz ZSPSJEUFJLVRKK-NHYWBVRUSA-N -1 3 305.374 2.725 20 0 DFADHM COc1cccc(C(=O)N2CCc3cccc(OC)c3C2)c1[O-] ZINC000653978985 431604847 /nfs/dbraw/zinc/60/48/47/431604847.db2.gz BTVHAHJJKXVXTA-UHFFFAOYSA-N -1 3 313.353 2.608 20 0 DFADHM C[C@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)CC2(CCCCC2)O1 ZINC000653902987 431579610 /nfs/dbraw/zinc/57/96/10/431579610.db2.gz BTCRGSLUUCGVSU-ZDUSSCGKSA-N -1 3 317.433 2.983 20 0 DFADHM C[C@H]1OCC[C@H]1c1n[n-]c(=NC(C)(C)C)n1Cc1cccs1 ZINC000647444097 431585336 /nfs/dbraw/zinc/58/53/36/431585336.db2.gz FWJJIXGNXSPBGG-DGCLKSJQSA-N -1 3 320.462 2.913 20 0 DFADHM O=S(=O)([N-][C@@]12C[C@@H]1CCC2)c1ccccc1C(F)(F)F ZINC000657048267 431586575 /nfs/dbraw/zinc/58/65/75/431586575.db2.gz PLASIZPZZZGSHX-CABZTGNLSA-N -1 3 305.321 2.926 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]CC[C@@]1(C)CC1(F)F ZINC000657159404 431613700 /nfs/dbraw/zinc/61/37/00/431613700.db2.gz IDIKSTWYESWIAX-LBPRGKRZSA-N -1 3 307.337 2.848 20 0 DFADHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)O1 ZINC000657156566 431614205 /nfs/dbraw/zinc/61/42/05/431614205.db2.gz SZHCRPFNORTPBN-ONGXEEELSA-N -1 3 321.801 2.715 20 0 DFADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)cc1F)C1CC1 ZINC000657179512 431620681 /nfs/dbraw/zinc/62/06/81/431620681.db2.gz SXMXVRLSUXHWAY-AWEZNQCLSA-N -1 3 301.383 2.691 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@@H]2c2ccccc2)s1 ZINC000657196742 431624912 /nfs/dbraw/zinc/62/49/12/431624912.db2.gz VYOBMAADZAJCPZ-CHWSQXEVSA-N -1 3 308.428 2.676 20 0 DFADHM CCn1cc(CN(C(=O)c2cc(C)ccc2[O-])C(C)C)cn1 ZINC000650677835 431645604 /nfs/dbraw/zinc/64/56/04/431645604.db2.gz ZHTDJLUDRJPXFX-UHFFFAOYSA-N -1 3 301.390 2.968 20 0 DFADHM [O-]c1coc2cc(OCc3nccn3CC(F)(F)F)ccc12 ZINC000664132903 431666335 /nfs/dbraw/zinc/66/63/35/431666335.db2.gz AWWUGRFUGUKMAN-UHFFFAOYSA-N -1 3 312.247 2.600 20 0 DFADHM Cc1nc(CCCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cs1 ZINC000647797318 431690943 /nfs/dbraw/zinc/69/09/43/431690943.db2.gz HYOOFLMKDATEAD-UHFFFAOYSA-N -1 3 316.386 2.995 20 0 DFADHM Cn1ncc2c1nc(S[C@H]1CCc3ccccc3C1)[n-]c2=O ZINC000664190307 431691794 /nfs/dbraw/zinc/69/17/94/431691794.db2.gz CZMWYTXUZSGYBI-LBPRGKRZSA-N -1 3 312.398 2.719 20 0 DFADHM CCc1noc(CC)c1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647798408 431691892 /nfs/dbraw/zinc/69/18/92/431691892.db2.gz HVZUBYFXPRIAKV-UHFFFAOYSA-N -1 3 314.345 2.563 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000654226592 431701312 /nfs/dbraw/zinc/70/13/12/431701312.db2.gz MJTRFLKMDQLCNE-MFKMUULPSA-N -1 3 317.307 2.930 20 0 DFADHM CCOc1c(CN(C)[C@@H](CC)C(=O)[O-])c(C)nn1CC(C)C ZINC000650807614 431710239 /nfs/dbraw/zinc/71/02/39/431710239.db2.gz CPGJBHKPKWPWQY-AWEZNQCLSA-N -1 3 311.426 2.541 20 0 DFADHM Cc1ccc2cc(C(=O)Nc3cc(-c4nccn4C)[n-]n3)[nH]c2c1 ZINC000119658795 281141995 /nfs/dbraw/zinc/14/19/95/281141995.db2.gz CFBRDQHBHYWEBV-UHFFFAOYSA-N -1 3 320.356 2.852 20 0 DFADHM Cc1ccc2cc(C(=O)Nc3cc(-c4nccn4C)n[n-]3)[nH]c2c1 ZINC000119658795 281141996 /nfs/dbraw/zinc/14/19/96/281141996.db2.gz CFBRDQHBHYWEBV-UHFFFAOYSA-N -1 3 320.356 2.852 20 0 DFADHM CC1(CC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)CCCC1 ZINC000329410360 281550131 /nfs/dbraw/zinc/55/01/31/281550131.db2.gz DRPUHJBDWXVPAS-SJCJKPOMSA-N -1 3 321.421 2.981 20 0 DFADHM CCn1cnnc1[N-]C(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000330634530 281661985 /nfs/dbraw/zinc/66/19/85/281661985.db2.gz LMRQIJUFMJNWLG-MGPQQGTHSA-N -1 3 308.426 2.714 20 0 DFADHM CC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000153640275 289053977 /nfs/dbraw/zinc/05/39/77/289053977.db2.gz AVRKWRSRDFDFCZ-UHFFFAOYSA-N -1 3 324.789 2.996 20 0 DFADHM CCS(=O)(=O)c1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000153847006 289062894 /nfs/dbraw/zinc/06/28/94/289062894.db2.gz FHTDCWYEPBDQQZ-UHFFFAOYSA-N -1 3 323.345 2.577 20 0 DFADHM COc1cccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1O ZINC000361624069 289070609 /nfs/dbraw/zinc/07/06/09/289070609.db2.gz PJQCTOINVFLIID-UHFFFAOYSA-N -1 3 324.336 2.803 20 0 DFADHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000363399050 289088458 /nfs/dbraw/zinc/08/84/58/289088458.db2.gz SFFMDWDGTXLRRI-MPKXVKKWSA-N -1 3 305.374 2.580 20 0 DFADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cccc(Cl)c2)CC1 ZINC000436480665 297005898 /nfs/dbraw/zinc/00/58/98/297005898.db2.gz XAAASAMCDZNNDC-UHFFFAOYSA-N -1 3 317.794 2.568 20 0 DFADHM O=C(NC[C@H](O)C1CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436484985 297005939 /nfs/dbraw/zinc/00/59/39/297005939.db2.gz FHJQCZFSVDXJMO-KRWDZBQOSA-N -1 3 313.353 2.685 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc3c2ccn(C)c3=O)c([O-])c1 ZINC000436485831 297006157 /nfs/dbraw/zinc/00/61/57/297006157.db2.gz AVJAFMWYYOIBHW-UHFFFAOYSA-N -1 3 308.337 2.805 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](CO)c2cccc(Cl)c2F)c1[O-] ZINC000436494334 297006855 /nfs/dbraw/zinc/00/68/55/297006855.db2.gz LFWMTMMPRRQXKI-ZDUSSCGKSA-N -1 3 323.751 2.957 20 0 DFADHM COc1ccc(C(=O)NCCOC2CCCCCC2)c([O-])c1 ZINC000436537829 297010009 /nfs/dbraw/zinc/01/00/09/297010009.db2.gz PARWEXCNDKVXSA-UHFFFAOYSA-N -1 3 307.390 2.870 20 0 DFADHM COc1cc(F)ccc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436528281 297009236 /nfs/dbraw/zinc/00/92/36/297009236.db2.gz GXUKPWKLYVCWCO-UHFFFAOYSA-N -1 3 303.289 2.995 20 0 DFADHM C[C@H]1C[C@@H](CO)CCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436526732 297009268 /nfs/dbraw/zinc/00/92/68/297009268.db2.gz RLDRTEUPAOMZQM-STQMWFEESA-N -1 3 303.402 2.504 20 0 DFADHM COc1ccc(C(=O)N[C@@H](C)c2ccccc2OC)c([O-])c1 ZINC000436525571 297009520 /nfs/dbraw/zinc/00/95/20/297009520.db2.gz OJNOXOLCLBSWAC-NSHDSACASA-N -1 3 301.342 2.900 20 0 DFADHM CN(C)CCN(C(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000436539716 297010563 /nfs/dbraw/zinc/01/05/63/297010563.db2.gz OVUXXABQFNZVHC-UHFFFAOYSA-N -1 3 302.349 2.740 20 0 DFADHM COc1ccc(C(=O)NC[C@@H](C)Oc2cccc(F)c2)c([O-])c1 ZINC000436589218 297015830 /nfs/dbraw/zinc/01/58/30/297015830.db2.gz PDYFVMCJWJHNNF-LLVKDONJSA-N -1 3 319.332 2.737 20 0 DFADHM CCCN(CC(=O)OCC)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436540974 297010744 /nfs/dbraw/zinc/01/07/44/297010744.db2.gz VCHANOVEZRPGCG-UHFFFAOYSA-N -1 3 319.401 2.686 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 ZINC000436591084 297015874 /nfs/dbraw/zinc/01/58/74/297015874.db2.gz VIDWPYHIMCYKBG-CJNGLKHVSA-N -1 3 324.380 2.624 20 0 DFADHM CN(CCNC(=O)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000436548295 297011740 /nfs/dbraw/zinc/01/17/40/297011740.db2.gz QHUSAEZMIVDACO-UHFFFAOYSA-N -1 3 303.189 2.523 20 0 DFADHM COC(=O)CCN(C(=O)c1cc2c(cc1[O-])CCCC2)C(C)C ZINC000436548304 297011758 /nfs/dbraw/zinc/01/17/58/297011758.db2.gz BKPUVLHWKZUSBC-UHFFFAOYSA-N -1 3 319.401 2.685 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc([S@](C)=O)c2)c([O-])c1C ZINC000436558884 297012577 /nfs/dbraw/zinc/01/25/77/297012577.db2.gz ZWROTIMWIIFMBH-NRFANRHFSA-N -1 3 303.383 2.999 20 0 DFADHM CC1(C)[C@H](NC(=O)c2cc3c(cc2[O-])CCCC3)[C@@H]2CCO[C@@H]21 ZINC000436564730 297013143 /nfs/dbraw/zinc/01/31/43/297013143.db2.gz SBLPUGYABVFAQW-XKQJLSEDSA-N -1 3 315.413 2.814 20 0 DFADHM C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436567955 297013166 /nfs/dbraw/zinc/01/31/66/297013166.db2.gz ZHPOEHRESLKARO-LSDHHAIUSA-N -1 3 324.424 2.805 20 0 DFADHM CC1(C)[C@H](NC(=O)c2cc3c(cc2[O-])CCCC3)[C@H]2CCO[C@@H]21 ZINC000436564731 297013180 /nfs/dbraw/zinc/01/31/80/297013180.db2.gz SBLPUGYABVFAQW-XYPHTWIQSA-N -1 3 315.413 2.814 20 0 DFADHM COC[C@H](NC(=O)c1ccc(OC)cc1[O-])c1ccc(F)cc1 ZINC000436570562 297013310 /nfs/dbraw/zinc/01/33/10/297013310.db2.gz AHSORMVBFORTIB-HNNXBMFYSA-N -1 3 319.332 2.657 20 0 DFADHM COc1ccc(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)c([O-])c1 ZINC000436571155 297013735 /nfs/dbraw/zinc/01/37/35/297013735.db2.gz BUXYRXVHZXUHMF-OAHLLOKOSA-N -1 3 317.389 2.652 20 0 DFADHM CC(C)(O)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436571751 297013805 /nfs/dbraw/zinc/01/38/05/297013805.db2.gz DMWRLTVEHNTJPQ-UHFFFAOYSA-N -1 3 313.397 2.678 20 0 DFADHM O=C(c1ccccc1[O-])N1CC(OCCCc2ccccc2)C1 ZINC000436570617 297013852 /nfs/dbraw/zinc/01/38/52/297013852.db2.gz RGWCEERJWPTHDJ-UHFFFAOYSA-N -1 3 311.381 2.866 20 0 DFADHM CC[C@H](NC(=O)c1cc(OC)ccc1[O-])c1c(C)nn(C)c1C ZINC000436576888 297014171 /nfs/dbraw/zinc/01/41/71/297014171.db2.gz RSBKJWSSYHGOPW-AWEZNQCLSA-N -1 3 317.389 2.632 20 0 DFADHM CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436578559 297014230 /nfs/dbraw/zinc/01/42/30/297014230.db2.gz RMNKSHCCQQXOOP-GFCCVEGCSA-N -1 3 307.390 2.977 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2[O-])cn1C ZINC000436577127 297014325 /nfs/dbraw/zinc/01/43/25/297014325.db2.gz SXTBKXOIMZRESE-UHFFFAOYSA-N -1 3 316.357 2.777 20 0 DFADHM CC(C)[C@H](O)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436589508 297015971 /nfs/dbraw/zinc/01/59/71/297015971.db2.gz WEJOQOPKTZWQDY-GOSISDBHSA-N -1 3 313.397 2.730 20 0 DFADHM CCC[C@@H](O)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436585561 297015369 /nfs/dbraw/zinc/01/53/69/297015369.db2.gz QMQFXSBEIDWUCG-MRXNPFEDSA-N -1 3 313.397 2.874 20 0 DFADHM COCCN(C(=O)c1cc(OC)ccc1[O-])[C@@H]1CC[C@H](C)C1 ZINC000436593612 297016382 /nfs/dbraw/zinc/01/63/82/297016382.db2.gz FNIMBBGDSGZHOE-QWHCGFSZSA-N -1 3 307.390 2.678 20 0 DFADHM COCCN(C(=O)c1cc(OC)ccc1[O-])[C@H]1CC[C@H](C)C1 ZINC000436593614 297016384 /nfs/dbraw/zinc/01/63/84/297016384.db2.gz FNIMBBGDSGZHOE-STQMWFEESA-N -1 3 307.390 2.678 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc2c(cc1[O-])CCCC2 ZINC000436591743 297016393 /nfs/dbraw/zinc/01/63/93/297016393.db2.gz XYQZMQKDXPXXEZ-QGPMSJSTSA-N -1 3 315.413 2.958 20 0 DFADHM COCCN(C(=O)c1cc(OC)ccc1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000436593606 297016463 /nfs/dbraw/zinc/01/64/63/297016463.db2.gz FNIMBBGDSGZHOE-CHWSQXEVSA-N -1 3 307.390 2.678 20 0 DFADHM C[C@H]1N(C(=O)c2cc3c(cc2[O-])CCCC3)CCOC1(C)C ZINC000436598457 297016629 /nfs/dbraw/zinc/01/66/29/297016629.db2.gz UJSOYBRTDUPNSZ-GFCCVEGCSA-N -1 3 303.402 2.911 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@H](CO)Cc2ccccc2)c([O-])c1 ZINC000436601196 297017073 /nfs/dbraw/zinc/01/70/73/297017073.db2.gz BXESWBLGVKZGDG-INIZCTEOSA-N -1 3 313.397 2.849 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)c([O-])c1C ZINC000436603734 297017242 /nfs/dbraw/zinc/01/72/42/297017242.db2.gz MTZDKDJMSYMJDL-HUUCEWRRSA-N -1 3 303.402 2.898 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c([O-])c1C ZINC000436599817 297017418 /nfs/dbraw/zinc/01/74/18/297017418.db2.gz CGPWORGRVUQPTN-CQSZACIVSA-N -1 3 324.380 2.865 20 0 DFADHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@H]1CCSC1 ZINC000436604042 297017703 /nfs/dbraw/zinc/01/77/03/297017703.db2.gz IGGVLSKDHJGFTQ-NSHDSACASA-N -1 3 307.415 2.683 20 0 DFADHM CCN1C[C@H](C)N(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@H]1C ZINC000436615479 297018007 /nfs/dbraw/zinc/01/80/07/297018007.db2.gz DYDODRDCUUMAGR-KGLIPLIRSA-N -1 3 316.445 2.826 20 0 DFADHM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000436615707 297018049 /nfs/dbraw/zinc/01/80/49/297018049.db2.gz BPVFSNSGXFMSPB-AEFFLSMTSA-N -1 3 313.353 2.566 20 0 DFADHM CCOc1ccc2c(c1)CCN(C(=O)c1ccc(O)cc1[O-])C2 ZINC000436620962 297018636 /nfs/dbraw/zinc/01/86/36/297018636.db2.gz ACJATNLBJNOSPZ-UHFFFAOYSA-N -1 3 313.353 2.695 20 0 DFADHM COC[C@@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436618357 297018760 /nfs/dbraw/zinc/01/87/60/297018760.db2.gz NJBVJDGSAHATTH-CQSZACIVSA-N -1 3 313.397 2.942 20 0 DFADHM CCCCO[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])C1(C)C ZINC000436624111 297019110 /nfs/dbraw/zinc/01/91/10/297019110.db2.gz IQDSYJXNJCZJAR-LSDHHAIUSA-N -1 3 307.390 2.811 20 0 DFADHM C[C@@H]1CSC[C@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436631792 297019784 /nfs/dbraw/zinc/01/97/84/297019784.db2.gz WXPUUROYNSJZSZ-BXKDBHETSA-N -1 3 307.415 2.587 20 0 DFADHM C[C@H]1CSC[C@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436631794 297019849 /nfs/dbraw/zinc/01/98/49/297019849.db2.gz WXPUUROYNSJZSZ-JOYOIKCWSA-N -1 3 307.415 2.587 20 0 DFADHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436645746 297020630 /nfs/dbraw/zinc/02/06/30/297020630.db2.gz DNVORMVBNVJOHA-ZDUSSCGKSA-N -1 3 315.369 2.912 20 0 DFADHM CC[C@H](CNC(=O)c1c([O-])cccc1O)Oc1ccccc1C ZINC000436646555 297021052 /nfs/dbraw/zinc/02/10/52/297021052.db2.gz IDTGUMNSKRAFOR-CYBMUJFWSA-N -1 3 315.369 2.994 20 0 DFADHM O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1ccccc1[O-] ZINC000436659294 297022637 /nfs/dbraw/zinc/02/26/37/297022637.db2.gz ZMNRFQZXVOYPLZ-GFCCVEGCSA-N -1 3 305.280 2.924 20 0 DFADHM COc1ccc(C(=O)N(C)Cc2c(F)cccc2F)c([O-])c1 ZINC000436667635 297023045 /nfs/dbraw/zinc/02/30/45/297023045.db2.gz UNJGHMXACNUBQQ-UHFFFAOYSA-N -1 3 307.296 2.951 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@H](C)c2c(C)noc2C)cc1[O-] ZINC000436667404 297023311 /nfs/dbraw/zinc/02/33/11/297023311.db2.gz UGSZWMAGLJMRPB-VIFPVBQESA-N -1 3 316.357 2.733 20 0 DFADHM C[C@@H](CNC(=O)c1c([O-])cccc1O)Oc1ccc(Cl)cc1 ZINC000436671908 297023698 /nfs/dbraw/zinc/02/36/98/297023698.db2.gz WTWGWSIMCCIZHL-JTQLQIEISA-N -1 3 321.760 2.949 20 0 DFADHM O=C(Nc1cccc(Oc2cnccn2)c1)c1c([O-])cccc1O ZINC000436672116 297023719 /nfs/dbraw/zinc/02/37/19/297023719.db2.gz CGNZMIPOSJIDKU-UHFFFAOYSA-N -1 3 323.308 2.932 20 0 DFADHM CC(C)Oc1ccc(CNC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436676067 297024079 /nfs/dbraw/zinc/02/40/79/297024079.db2.gz ZVAKRNLIDYDLAW-UHFFFAOYSA-N -1 3 301.342 2.815 20 0 DFADHM COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436695984 297025469 /nfs/dbraw/zinc/02/54/69/297025469.db2.gz HBRVHWRSKWPNIF-NSHDSACASA-N -1 3 301.342 2.906 20 0 DFADHM CCOC(=O)CN(CC(C)C)C(=O)c1ccc([O-])c(CC)c1 ZINC000436696804 297025504 /nfs/dbraw/zinc/02/55/04/297025504.db2.gz JGHCWVMCACSBSJ-UHFFFAOYSA-N -1 3 307.390 2.616 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3CCC[C@@H]3C(F)F)c([O-])c2O1 ZINC000436697715 297025871 /nfs/dbraw/zinc/02/58/71/297025871.db2.gz MIZCLVJNLXVMFG-LLVKDONJSA-N -1 3 311.328 2.975 20 0 DFADHM CCOC(=O)[C@H](CC)N(C(=O)c1ccc([O-])c(CC)c1)C1CC1 ZINC000436709255 297026587 /nfs/dbraw/zinc/02/65/87/297026587.db2.gz VDFAKUXZPZVSCT-HNNXBMFYSA-N -1 3 319.401 2.901 20 0 DFADHM COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1cc(C)ccc1[O-] ZINC000436747758 297031074 /nfs/dbraw/zinc/03/10/74/297031074.db2.gz CEWYFNIXNQAQII-DYVFJYSZSA-N -1 3 305.374 2.552 20 0 DFADHM COC(=O)c1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1 ZINC000436754646 297031854 /nfs/dbraw/zinc/03/18/54/297031854.db2.gz JDWOPTCOAUOFOI-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM COc1ccc2c(c1OC)CCN(C(=O)c1ccccc1[O-])C2 ZINC000436751448 297032048 /nfs/dbraw/zinc/03/20/48/297032048.db2.gz SDFMPSLSECCCRW-UHFFFAOYSA-N -1 3 313.353 2.608 20 0 DFADHM CC[C@@H](C)N[C@@H](CNC(=O)c1ccccc1[O-])c1ccco1 ZINC000436718481 297027858 /nfs/dbraw/zinc/02/78/58/297027858.db2.gz ZSFRIXWOGAPYHY-OCCSQVGLSA-N -1 3 302.374 2.844 20 0 DFADHM COc1cccc(C(=O)N[C@H]2COc3c2ccc(C)c3C)c1[O-] ZINC000436720154 297028479 /nfs/dbraw/zinc/02/84/79/297028479.db2.gz DRJJXSJFVUDCJW-AWEZNQCLSA-N -1 3 313.353 2.881 20 0 DFADHM C[C@H]1CCC[C@H](CN2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436721965 297028502 /nfs/dbraw/zinc/02/85/02/297028502.db2.gz ZKKQCPDISAVAMR-HOTGVXAUSA-N -1 3 316.445 2.976 20 0 DFADHM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436723720 297028554 /nfs/dbraw/zinc/02/85/54/297028554.db2.gz QSJRCSHZHULDDR-MGPLVRAMSA-N -1 3 319.332 2.743 20 0 DFADHM Cc1ccc(C(=O)NCc2ccnc(OC(F)F)c2)c([O-])c1 ZINC000436726006 297029086 /nfs/dbraw/zinc/02/90/86/297029086.db2.gz UKKYINAMHHVKDA-UHFFFAOYSA-N -1 3 308.284 2.627 20 0 DFADHM CCn1nc(C(=O)Nc2ccc(C)cc2[O-])c(=O)c2ccccc21 ZINC000436732196 297029270 /nfs/dbraw/zinc/02/92/70/297029270.db2.gz PJLRNEUUBZAWSV-UHFFFAOYSA-N -1 3 323.352 2.683 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@]2(C1)CCCOC2 ZINC000436731213 297029546 /nfs/dbraw/zinc/02/95/46/297029546.db2.gz BEJAVFTVDFJOAM-IBGZPJMESA-N -1 3 315.413 2.914 20 0 DFADHM CCc1ncc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cn1 ZINC000436740874 297030505 /nfs/dbraw/zinc/03/05/05/297030505.db2.gz SZDHHYDKWDJZED-UHFFFAOYSA-N -1 3 313.357 2.710 20 0 DFADHM O=C(NC[C@H]1CCC[C@@H](CO)C1)c1cc2c(cc1[O-])CCCC2 ZINC000436742199 297030533 /nfs/dbraw/zinc/03/05/33/297030533.db2.gz VOQVMZDWQHJGMJ-UONOGXRCSA-N -1 3 317.429 2.800 20 0 DFADHM COc1cccc(C(=O)N[C@H]2c3ccc(F)cc3O[C@H]2C)c1[O-] ZINC000436743533 297030542 /nfs/dbraw/zinc/03/05/42/297030542.db2.gz HJQJLXPJCYHKPN-BJOHPYRUSA-N -1 3 317.316 2.792 20 0 DFADHM Cc1nc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])nn1C ZINC000436742660 297030562 /nfs/dbraw/zinc/03/05/62/297030562.db2.gz YBCBJZDWMNXVKV-UHFFFAOYSA-N -1 3 322.368 2.672 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2csc(C)n2)c1 ZINC000436785702 297033748 /nfs/dbraw/zinc/03/37/48/297033748.db2.gz FZJNFVNWFJDVQD-MRVPVSSYSA-N -1 3 319.386 2.607 20 0 DFADHM CCN1CCCC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436784899 297034078 /nfs/dbraw/zinc/03/40/78/297034078.db2.gz RZJFRDCAHQUVQU-NSHDSACASA-N -1 3 314.788 2.789 20 0 DFADHM Cc1ccc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c([O-])c1C ZINC000436787048 297034196 /nfs/dbraw/zinc/03/41/96/297034196.db2.gz MBESBJNHDMUSDK-SJLPKXTDSA-N -1 3 301.386 2.793 20 0 DFADHM CN(C)c1nc2ccc(NC(=O)c3cc(F)ccc3[O-])cc2[nH]1 ZINC000436789162 297034528 /nfs/dbraw/zinc/03/45/28/297034528.db2.gz CYIGRMYTGIMXFL-UHFFFAOYSA-N -1 3 314.320 2.726 20 0 DFADHM O=C(c1ccccc1[O-])N1CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC000436792572 297034803 /nfs/dbraw/zinc/03/48/03/297034803.db2.gz NVXUQPDDJCAXBF-ZDUSSCGKSA-N -1 3 324.371 2.585 20 0 DFADHM CCN(CCNC(=O)c1cc(F)ccc1[O-])CCC(F)(F)F ZINC000436807286 297035689 /nfs/dbraw/zinc/03/56/89/297035689.db2.gz DPBPEMIJLBSOGL-UHFFFAOYSA-N -1 3 322.302 2.535 20 0 DFADHM COCCN(C(=O)c1ccc([O-])c(C)c1)[C@@H]1CCCSC1 ZINC000436809443 297036062 /nfs/dbraw/zinc/03/60/62/297036062.db2.gz OUENZBMNKZLREJ-CQSZACIVSA-N -1 3 309.431 2.685 20 0 DFADHM CCc1ccc(C(=O)NCc2ccc(OC)cc2OC)c([O-])c1 ZINC000436809718 297036178 /nfs/dbraw/zinc/03/61/78/297036178.db2.gz POSYSIMYQIXPRX-UHFFFAOYSA-N -1 3 315.369 2.902 20 0 DFADHM COCCN(C(=O)c1ccc(C)c(C)c1[O-])[C@H]1CCCSC1 ZINC000436809668 297036226 /nfs/dbraw/zinc/03/62/26/297036226.db2.gz PDVBWOZAQLSTBW-AWEZNQCLSA-N -1 3 323.458 2.993 20 0 DFADHM COCC[C@@H](Cc1ccco1)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436826934 297037467 /nfs/dbraw/zinc/03/74/67/297037467.db2.gz MEWBKHWZKDATPL-AWEZNQCLSA-N -1 3 317.385 2.980 20 0 DFADHM CCc1ccc(C(=O)N[C@H](C)CC(=O)OC(C)(C)C)c([O-])c1 ZINC000436815857 297036406 /nfs/dbraw/zinc/03/64/06/297036406.db2.gz MNYPPPXFEILSOX-LLVKDONJSA-N -1 3 307.390 2.805 20 0 DFADHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@H]1CCCCO1 ZINC000436813883 297036654 /nfs/dbraw/zinc/03/66/54/297036654.db2.gz GKQUCVHKBVLEEX-SMDDNHRTSA-N -1 3 319.401 2.793 20 0 DFADHM CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1[O-] ZINC000436817662 297037110 /nfs/dbraw/zinc/03/71/10/297037110.db2.gz BTVRFDUYJKNNBP-UHFFFAOYSA-N -1 3 315.354 2.776 20 0 DFADHM COc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000436824806 297037650 /nfs/dbraw/zinc/03/76/50/297037650.db2.gz DFSYATCLHHVRFQ-WCBMZHEXSA-N -1 3 303.280 2.814 20 0 DFADHM CCOC(=O)C[C@H](C)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436826544 297037689 /nfs/dbraw/zinc/03/76/89/297037689.db2.gz KTTBPEWPIKSLHV-LBPRGKRZSA-N -1 3 319.401 2.685 20 0 DFADHM CO[C@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC[C@H]1C ZINC000436837283 297038780 /nfs/dbraw/zinc/03/87/80/297038780.db2.gz HFUCZXSZSKEFPZ-RISCZKNCSA-N -1 3 319.401 2.603 20 0 DFADHM CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436840408 297039457 /nfs/dbraw/zinc/03/94/57/297039457.db2.gz QOSXLMKUNXKUIS-VXGBXAGGSA-N -1 3 307.390 2.833 20 0 DFADHM COC(=O)[C@@H](NC(=O)c1ccccc1[O-])c1ccc(C)c(C)c1 ZINC000436859458 297040615 /nfs/dbraw/zinc/04/06/15/297040615.db2.gz LDUFSTBOYZRQOK-INIZCTEOSA-N -1 3 313.353 2.653 20 0 DFADHM C[C@H]1C[C@@H](O)CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436896904 297042895 /nfs/dbraw/zinc/04/28/95/297042895.db2.gz UUVANNPAHBXMSK-QWHCGFSZSA-N -1 3 313.353 2.780 20 0 DFADHM CC[C@@H](C[C@H](C)CO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436903596 297043321 /nfs/dbraw/zinc/04/33/21/297043321.db2.gz NIXCWKXDHITYCJ-AAEUAGOBSA-N -1 3 321.417 2.633 20 0 DFADHM CCc1nnc([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])[nH]1 ZINC000436910091 297044059 /nfs/dbraw/zinc/04/40/59/297044059.db2.gz BXUSFYXCWYPMHG-JTQLQIEISA-N -1 3 302.378 2.687 20 0 DFADHM CC[C@@H](C)c1ncc(NC(=O)c2cc(OC)ccc2[O-])cn1 ZINC000436922189 297044958 /nfs/dbraw/zinc/04/49/58/297044958.db2.gz LZVRTYRIRNXNOY-SNVBAGLBSA-N -1 3 301.346 2.957 20 0 DFADHM COc1cccc(-c2nc(-c3n[nH]c4ccccc43)no2)c1[O-] ZINC000436928898 297045325 /nfs/dbraw/zinc/04/53/25/297045325.db2.gz SGFUAWGVABZAOH-UHFFFAOYSA-N -1 3 308.297 2.994 20 0 DFADHM Cc1cccc(C(=O)NC[C@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000436927893 297045420 /nfs/dbraw/zinc/04/54/20/297045420.db2.gz AIWNGTPCOYLNPJ-APWZRJJASA-N -1 3 311.381 2.597 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2COc3ccc(F)cc3C2)c([O-])c1 ZINC000436932929 297045739 /nfs/dbraw/zinc/04/57/39/297045739.db2.gz PABBQROCSQQSKF-CYBMUJFWSA-N -1 3 301.317 2.573 20 0 DFADHM C[C@H]1CCCCN1CCNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436939313 297046504 /nfs/dbraw/zinc/04/65/04/297046504.db2.gz YLHMRXRPEVYNLW-JTQLQIEISA-N -1 3 314.788 2.789 20 0 DFADHM CCc1ccc([O-])c(-c2nc(-c3cnc(N(C)C)cn3)no2)c1 ZINC000436951059 297047281 /nfs/dbraw/zinc/04/72/81/297047281.db2.gz PBYAXUBAVOAFSF-UHFFFAOYSA-N -1 3 311.345 2.528 20 0 DFADHM COC(=O)CCC(C)(C)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436959891 297048156 /nfs/dbraw/zinc/04/81/56/297048156.db2.gz FLKMLLJUIWJFRU-UHFFFAOYSA-N -1 3 319.401 2.733 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436969354 297048549 /nfs/dbraw/zinc/04/85/49/297048549.db2.gz ZSKMHHAJVMEBLD-ZDUSSCGKSA-N -1 3 320.433 2.715 20 0 DFADHM CCCCOc1ccc(C(=O)N(CCC)CCN(C)C)c([O-])c1 ZINC000436972668 297048852 /nfs/dbraw/zinc/04/88/52/297048852.db2.gz PVXIIYSIRUSDID-UHFFFAOYSA-N -1 3 322.449 2.985 20 0 DFADHM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc2c(c1[O-])CCCC2 ZINC000436974944 297049307 /nfs/dbraw/zinc/04/93/07/297049307.db2.gz DPMBUSYOQOBOLM-MSOLQXFVSA-N -1 3 323.392 2.659 20 0 DFADHM COc1cccc2c(C(=O)Nc3ccc(O)c(OC)c3)[n-]nc21 ZINC000436980330 297049956 /nfs/dbraw/zinc/04/99/56/297049956.db2.gz MVQQNYYEASLMBA-UHFFFAOYSA-N -1 3 313.313 2.538 20 0 DFADHM CC[C@H](CC(F)(F)F)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436984181 297050159 /nfs/dbraw/zinc/05/01/59/297050159.db2.gz AFDPLHGBAJYKPD-SECBINFHSA-N -1 3 321.295 2.870 20 0 DFADHM CCCCOc1ccc(C(=O)NCCC[C@@H](C)CO)c([O-])c1 ZINC000436986072 297050262 /nfs/dbraw/zinc/05/02/62/297050262.db2.gz JANHLXGSDMEJLU-CYBMUJFWSA-N -1 3 309.406 2.710 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCOCC3(CC3)C2)c([O-])c1 ZINC000436989428 297050655 /nfs/dbraw/zinc/05/06/55/297050655.db2.gz RMGOGBUZEWRNTC-UHFFFAOYSA-N -1 3 319.401 2.824 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](C)CC(=O)OCC)c([O-])c1 ZINC000436989398 297050718 /nfs/dbraw/zinc/05/07/18/297050718.db2.gz RFQUZBQIAVTKNF-GFCCVEGCSA-N -1 3 323.389 2.643 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](CCO)C(C)C)c([O-])c1 ZINC000436991066 297050791 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316136161 /nfs/dbraw/zinc/13/61/61/316136161.db2.gz OXLIUZRXCZYVMN-VHSXEESVSA-N -1 3 319.386 2.699 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2cccc3ccc(C)nc32)n[n-]1 ZINC000183277568 316136311 /nfs/dbraw/zinc/13/63/11/316136311.db2.gz ZHBVCBHDWSQZRM-UHFFFAOYSA-N -1 3 324.340 2.695 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2cccc3ccc(C)nc32)[n-]n1 ZINC000183277568 316136317 /nfs/dbraw/zinc/13/63/17/316136317.db2.gz ZHBVCBHDWSQZRM-UHFFFAOYSA-N -1 3 324.340 2.695 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@H](c2ccccc2)C2CC2)n[n-]1 ZINC000183288998 316136612 /nfs/dbraw/zinc/13/66/12/316136612.db2.gz DKPWVTDDDDBVSR-OAHLLOKOSA-N -1 3 313.357 2.719 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@H](c2ccccc2)C2CC2)[n-]n1 ZINC000183288998 316136616 /nfs/dbraw/zinc/13/66/16/316136616.db2.gz DKPWVTDDDDBVSR-OAHLLOKOSA-N -1 3 313.357 2.719 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Cc2cccc(F)c2)n[n-]1 ZINC000183279613 316136712 /nfs/dbraw/zinc/13/67/12/316136712.db2.gz LWOAMUPFVMDOJA-JTQLQIEISA-N -1 3 319.336 2.543 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Cc2cccc(F)c2)[n-]n1 ZINC000183279613 316136714 /nfs/dbraw/zinc/13/67/14/316136714.db2.gz LWOAMUPFVMDOJA-JTQLQIEISA-N -1 3 319.336 2.543 20 0 DFADHM CCN(Cc1ccc(OC)cc1)C(=O)c1cccc2[n-]nnc21 ZINC000183433294 316142164 /nfs/dbraw/zinc/14/21/64/316142164.db2.gz FCLCCCCPYILULZ-UHFFFAOYSA-N -1 3 310.357 2.629 20 0 DFADHM CCN(Cc1ccc(OC)cc1)C(=O)c1cccc2nn[n-]c21 ZINC000183433294 316142166 /nfs/dbraw/zinc/14/21/66/316142166.db2.gz FCLCCCCPYILULZ-UHFFFAOYSA-N -1 3 310.357 2.629 20 0 DFADHM CCN(Cc1ccc(OC)cc1)C(=O)c1cccc2n[n-]nc21 ZINC000183433294 316142170 /nfs/dbraw/zinc/14/21/70/316142170.db2.gz FCLCCCCPYILULZ-UHFFFAOYSA-N -1 3 310.357 2.629 20 0 DFADHM CC(C)(CNC(=O)c1cccc2nn[n-]c21)c1cccs1 ZINC000183622635 316148622 /nfs/dbraw/zinc/14/86/22/316148622.db2.gz XJCYPQLLQMGVDU-UHFFFAOYSA-N -1 3 300.387 2.727 20 0 DFADHM CC(C)(CNC(=O)c1cccc2[n-]nnc21)c1cccs1 ZINC000183622635 316148624 /nfs/dbraw/zinc/14/86/24/316148624.db2.gz XJCYPQLLQMGVDU-UHFFFAOYSA-N -1 3 300.387 2.727 20 0 DFADHM CC(C)(CNC(=O)c1cccc2n[n-]nc21)c1cccs1 ZINC000183622635 316148626 /nfs/dbraw/zinc/14/86/26/316148626.db2.gz XJCYPQLLQMGVDU-UHFFFAOYSA-N -1 3 300.387 2.727 20 0 DFADHM COc1cc(C(=O)[N-]c2ccccc2C(=O)OC(C)(C)C)on1 ZINC000184117985 316159320 /nfs/dbraw/zinc/15/93/20/316159320.db2.gz GEWCWGKCNKHPFG-UHFFFAOYSA-N -1 3 318.329 2.891 20 0 DFADHM COC(=O)c1cnc(SCc2nc(C)c3ccccc3n2)[n-]1 ZINC000187584626 316211716 /nfs/dbraw/zinc/21/17/16/316211716.db2.gz KFZNELGQEZQZHZ-UHFFFAOYSA-N -1 3 314.370 2.740 20 0 DFADHM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc2nn[n-]c21 ZINC000187677879 316213102 /nfs/dbraw/zinc/21/31/02/316213102.db2.gz DELCCRMMQWIGTJ-CVEARBPZSA-N -1 3 322.368 2.608 20 0 DFADHM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc2[n-]nnc21 ZINC000187677879 316213107 /nfs/dbraw/zinc/21/31/07/316213107.db2.gz DELCCRMMQWIGTJ-CVEARBPZSA-N -1 3 322.368 2.608 20 0 DFADHM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc2n[n-]nc21 ZINC000187677879 316213110 /nfs/dbraw/zinc/21/31/10/316213110.db2.gz DELCCRMMQWIGTJ-CVEARBPZSA-N -1 3 322.368 2.608 20 0 DFADHM CC(C)(CNC(=O)c1cccc2nn[n-]c21)Cc1ccccc1 ZINC000188047634 316217713 /nfs/dbraw/zinc/21/77/13/316217713.db2.gz YGRADNGTNBAMIY-UHFFFAOYSA-N -1 3 308.385 2.957 20 0 DFADHM CC(C)(CNC(=O)c1cccc2[n-]nnc21)Cc1ccccc1 ZINC000188047634 316217715 /nfs/dbraw/zinc/21/77/15/316217715.db2.gz YGRADNGTNBAMIY-UHFFFAOYSA-N -1 3 308.385 2.957 20 0 DFADHM CC(C)(CNC(=O)c1cccc2n[n-]nc21)Cc1ccccc1 ZINC000188047634 316217717 /nfs/dbraw/zinc/21/77/17/316217717.db2.gz YGRADNGTNBAMIY-UHFFFAOYSA-N -1 3 308.385 2.957 20 0 DFADHM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc3nn[n-]c32)C1 ZINC000188158393 316217959 /nfs/dbraw/zinc/21/79/59/316217959.db2.gz VKNZOCNYCCTGIC-GFCCVEGCSA-N -1 3 321.384 2.691 20 0 DFADHM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc3[n-]nnc32)C1 ZINC000188158393 316217963 /nfs/dbraw/zinc/21/79/63/316217963.db2.gz VKNZOCNYCCTGIC-GFCCVEGCSA-N -1 3 321.384 2.691 20 0 DFADHM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc3n[n-]nc32)C1 ZINC000188158393 316217966 /nfs/dbraw/zinc/21/79/66/316217966.db2.gz VKNZOCNYCCTGIC-GFCCVEGCSA-N -1 3 321.384 2.691 20 0 DFADHM CCO[C@@H](CCNC(=O)c1cccc2nn[n-]c21)C1CCCC1 ZINC000188269605 316219074 /nfs/dbraw/zinc/21/90/74/316219074.db2.gz MIDGSDPBELBJSI-HNNXBMFYSA-N -1 3 316.405 2.673 20 0 DFADHM CCO[C@@H](CCNC(=O)c1cccc2[n-]nnc21)C1CCCC1 ZINC000188269605 316219080 /nfs/dbraw/zinc/21/90/80/316219080.db2.gz MIDGSDPBELBJSI-HNNXBMFYSA-N -1 3 316.405 2.673 20 0 DFADHM CCO[C@@H](CCNC(=O)c1cccc2n[n-]nc21)C1CCCC1 ZINC000188269605 316219083 /nfs/dbraw/zinc/21/90/83/316219083.db2.gz MIDGSDPBELBJSI-HNNXBMFYSA-N -1 3 316.405 2.673 20 0 DFADHM O=C(Nc1ccccc1OCC(F)F)c1cccc2nn[n-]c21 ZINC000188453429 316222291 /nfs/dbraw/zinc/22/22/91/316222291.db2.gz FDWYMSVFNLAMQU-UHFFFAOYSA-N -1 3 318.283 2.854 20 0 DFADHM O=C(Nc1ccccc1OCC(F)F)c1cccc2[n-]nnc21 ZINC000188453429 316222295 /nfs/dbraw/zinc/22/22/95/316222295.db2.gz FDWYMSVFNLAMQU-UHFFFAOYSA-N -1 3 318.283 2.854 20 0 DFADHM O=C(Nc1ccccc1OCC(F)F)c1cccc2n[n-]nc21 ZINC000188453429 316222296 /nfs/dbraw/zinc/22/22/96/316222296.db2.gz FDWYMSVFNLAMQU-UHFFFAOYSA-N -1 3 318.283 2.854 20 0 DFADHM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1coc(-c2cccc(F)c2)n1 ZINC000316114249 316244570 /nfs/dbraw/zinc/24/45/70/316244570.db2.gz LDWWQAIFMAZOLV-QMTHXVAHSA-N -1 3 304.321 2.776 20 0 DFADHM Cc1cc2cc[nH]c2cc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000348597757 316322805 /nfs/dbraw/zinc/32/28/05/316322805.db2.gz PWPPKJQIGBFFGC-SNVBAGLBSA-N -1 3 311.263 2.854 20 0 DFADHM Cc1ccc(Cc2noc(Cc3c(C)nc(C)[n-]c3=O)n2)s1 ZINC000350404896 316389296 /nfs/dbraw/zinc/38/92/96/316389296.db2.gz YGHKFMWBXHLZLF-UHFFFAOYSA-N -1 3 316.386 2.734 20 0 DFADHM O=c1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc(C2CC2)[nH]1 ZINC000350478015 316392519 /nfs/dbraw/zinc/39/25/19/316392519.db2.gz GRCBJUKRUXJKFD-UHFFFAOYSA-N -1 3 320.312 2.653 20 0 DFADHM c1ccc2c(c1)C[C@@H](c1nc(-c3ccc4n[n-]nc4c3)no1)CO2 ZINC000350512304 316394571 /nfs/dbraw/zinc/39/45/71/316394571.db2.gz HCQJAJNEUNSHHM-GFCCVEGCSA-N -1 3 319.324 2.727 20 0 DFADHM COC(=O)c1ccc(-c2nc(Cc3cc(F)cc(F)c3)no2)[n-]1 ZINC000350506401 316394624 /nfs/dbraw/zinc/39/46/24/316394624.db2.gz DROOLWZREVHAJU-UHFFFAOYSA-N -1 3 319.267 2.720 20 0 DFADHM COCc1cccc(-c2noc(-c3ccc(C(=O)OC)[n-]3)n2)c1 ZINC000350523984 316395856 /nfs/dbraw/zinc/39/58/56/316395856.db2.gz MFEKUZYNMQUSBL-UHFFFAOYSA-N -1 3 313.313 2.665 20 0 DFADHM COC(=O)c1ccc(-c2nc(-c3ncsc3Cl)no2)[n-]1 ZINC000350539912 316398480 /nfs/dbraw/zinc/39/84/80/316398480.db2.gz OLXRWDANHYRHJV-UHFFFAOYSA-N -1 3 310.722 2.628 20 0 DFADHM COC(=O)c1ccc(-c2nc(-c3ccc(C)cc3OC)no2)[n-]1 ZINC000350548575 316400671 /nfs/dbraw/zinc/40/06/71/316400671.db2.gz ZHGKHGGZCIFTOX-UHFFFAOYSA-N -1 3 313.313 2.835 20 0 DFADHM COc1cc(-c2noc([C@@H](C)n3nc(C)cc3C)n2)ccc1[O-] ZINC000350568864 316403629 /nfs/dbraw/zinc/40/36/29/316403629.db2.gz KPNJFFIHQKTXJT-LLVKDONJSA-N -1 3 314.345 2.873 20 0 DFADHM COc1ccc([O-])c(-c2nc(-c3ccc4c(c3)CC(=O)N4)no2)c1 ZINC000350577123 316406138 /nfs/dbraw/zinc/40/61/38/316406138.db2.gz 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/nfs/dbraw/zinc/82/39/53/316823953.db2.gz SWYLZQPYCYQWRX-MRXNPFEDSA-N -1 3 301.390 2.558 20 0 DFADHM COCc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000426765249 316825473 /nfs/dbraw/zinc/82/54/73/316825473.db2.gz LKPMSYVDSOAFAJ-INIZCTEOSA-N -1 3 303.333 2.888 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000427136078 316835342 /nfs/dbraw/zinc/83/53/42/316835342.db2.gz LXCIUWDVKSRNDQ-QWRGUYRKSA-N -1 3 319.748 2.592 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[C@H](C)Cc1cccc(F)c1 ZINC000427140452 316836148 /nfs/dbraw/zinc/83/61/48/316836148.db2.gz RECFKOANEOXJRS-SECBINFHSA-N -1 3 319.336 2.543 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@H]2C)s1 ZINC000433823071 316894987 /nfs/dbraw/zinc/89/49/87/316894987.db2.gz MYRSVCZWUVYIAO-KBVBSXBZSA-N -1 3 302.465 2.863 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2C)s1 ZINC000433825862 316895723 /nfs/dbraw/zinc/89/57/23/316895723.db2.gz JAWRIBFERLJAMA-XPTSAGLGSA-N -1 3 322.455 2.972 20 0 DFADHM COc1cccc(C[C@@H](O)C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000442822644 316945113 /nfs/dbraw/zinc/94/51/13/316945113.db2.gz PCJHCRGIXTZKPM-OAHLLOKOSA-N -1 3 321.760 2.596 20 0 DFADHM C[C@@H](CC1CCCCC1)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000446729634 317020569 /nfs/dbraw/zinc/02/05/69/317020569.db2.gz VSRKVNRUSGBZCO-ZDUSSCGKSA-N -1 3 318.417 2.597 20 0 DFADHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC000451460784 317115716 /nfs/dbraw/zinc/11/57/16/317115716.db2.gz ZHDURXKGAIDTFE-CHWSQXEVSA-N -1 3 323.389 2.825 20 0 DFADHM CCc1ncc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)o1 ZINC000456495717 317226490 /nfs/dbraw/zinc/22/64/90/317226490.db2.gz UPOCWHGIYSJMLW-UHFFFAOYSA-N -1 3 314.263 2.891 20 0 DFADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2C[C@@H](OC)C23CCC3)c1 ZINC000456652942 317239843 /nfs/dbraw/zinc/23/98/43/317239843.db2.gz RNNUEKPQYQTJIT-JKSUJKDBSA-N -1 3 303.402 2.984 20 0 DFADHM O=C(NC1(Cc2ccccc2)CCOCC1)c1ccccc1[O-] ZINC000456788559 317252783 /nfs/dbraw/zinc/25/27/83/317252783.db2.gz 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/nfs/dbraw/zinc/32/33/68/317323368.db2.gz BVFONOPQGLHKFM-UHFFFAOYSA-N -1 3 313.401 2.586 20 0 DFADHM COC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000459391007 317324781 /nfs/dbraw/zinc/32/47/81/317324781.db2.gz UHYVGLJICMEYHE-OAHLLOKOSA-N -1 3 317.364 2.676 20 0 DFADHM CCc1cc(C(=O)N[C@@H]2CCc3ccccc3C2=O)ccc1[O-] ZINC000487509308 317346821 /nfs/dbraw/zinc/34/68/21/317346821.db2.gz WOAIJQIUXRRMQH-MRXNPFEDSA-N -1 3 309.365 2.882 20 0 DFADHM CCc1cc(C(=O)N2CC(OC)(c3ccccc3)C2)ccc1[O-] ZINC000488442810 317393840 /nfs/dbraw/zinc/39/38/40/317393840.db2.gz FZZYRTYJSGCHHS-UHFFFAOYSA-N -1 3 311.381 2.952 20 0 DFADHM C[C@@H](Sc1n[n-]c(CO)n1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000527059876 317740933 /nfs/dbraw/zinc/74/09/33/317740933.db2.gz ATNKHKGSNWDHEP-SNVBAGLBSA-N -1 3 319.430 2.958 20 0 DFADHM COc1ccc(C(C)(C)NC(=O)c2csc(=O)[n-]2)cc1F ZINC000529847476 317764782 /nfs/dbraw/zinc/76/47/82/317764782.db2.gz FAJVHFLPRDVWAA-UHFFFAOYSA-N -1 3 310.350 2.662 20 0 DFADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000529919326 317767410 /nfs/dbraw/zinc/76/74/10/317767410.db2.gz AACVOGXQIBVUFK-OAHLLOKOSA-N -1 3 302.761 2.787 20 0 DFADHM CC[C@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2)OC ZINC000530147906 317772844 /nfs/dbraw/zinc/77/28/44/317772844.db2.gz PZQZECSRDNQPFF-GFCCVEGCSA-N -1 3 317.838 2.995 20 0 DFADHM CCc1cc(C[N-]S(=O)(=O)c2ccccc2C(C)C)on1 ZINC000530328502 317780905 /nfs/dbraw/zinc/78/09/05/317780905.db2.gz XTARFGRFIFRTIU-UHFFFAOYSA-N -1 3 308.403 2.839 20 0 DFADHM CCc1cccc(C(=O)N2CCO[C@@H](c3nccs3)C2)c1[O-] ZINC000530955293 317792375 /nfs/dbraw/zinc/79/23/75/317792375.db2.gz OTDHPTKKUXFLEC-CYBMUJFWSA-N -1 3 318.398 2.625 20 0 DFADHM CCCN(CCC)S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000531345265 317798644 /nfs/dbraw/zinc/79/86/44/317798644.db2.gz VYFRTSYCHPNKKI-UHFFFAOYSA-N -1 3 322.434 2.651 20 0 DFADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)CCOCC1CC1 ZINC000566095461 317937596 /nfs/dbraw/zinc/93/75/96/317937596.db2.gz PHBJEZHNWFBVFA-UHFFFAOYSA-N -1 3 303.811 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O=c1cc(CN2CCC(c3ccncc3)CC2)nc(C2CC2)[n-]1 ZINC000576562862 318134274 /nfs/dbraw/zinc/13/42/74/318134274.db2.gz VIPUJCNMANKNGR-UHFFFAOYSA-N -1 3 310.401 2.834 20 0 DFADHM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1c[n-]c2ccncc2c1=O ZINC000576683732 318142475 /nfs/dbraw/zinc/14/24/75/318142475.db2.gz OBNBULATFMBEIK-ZFWWWQNUSA-N -1 3 313.401 2.868 20 0 DFADHM CC[C@@H](CNC(=O)Cc1cncc([O-])c1)Oc1ccccc1C ZINC000577191584 318177399 /nfs/dbraw/zinc/17/73/99/318177399.db2.gz PSERJRLFPDJTSQ-INIZCTEOSA-N -1 3 314.385 2.612 20 0 DFADHM COC1([C@@H](C(=O)[O-])N2CCc3cc(Cl)ccc3C2)CCC1 ZINC000577226757 318179923 /nfs/dbraw/zinc/17/99/23/318179923.db2.gz PBZFWNJEFKALSF-CQSZACIVSA-N -1 3 309.793 2.720 20 0 DFADHM O=S(=O)([N-][C@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccccn1 ZINC000577335996 318185339 /nfs/dbraw/zinc/18/53/39/318185339.db2.gz UVQBCIFYGAFCFG-HIFRSBDPSA-N -1 3 320.389 2.835 20 0 DFADHM CC(C)(C)OC[C@H](NCc1ccc(C(F)F)cc1)C(=O)[O-] ZINC000577485687 318196130 /nfs/dbraw/zinc/19/61/30/318196130.db2.gz TUPMNFBFTGHOKS-LBPRGKRZSA-N -1 3 301.333 2.982 20 0 DFADHM O=c1cc(-c2noc(C[C@@H]3CCc4ccccc4C3)n2)nc[n-]1 ZINC000577750603 318215094 /nfs/dbraw/zinc/21/50/94/318215094.db2.gz NPZLPCHXHNLNJM-LLVKDONJSA-N -1 3 308.341 2.580 20 0 DFADHM Cc1cccc(Cl)c1CS(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000577818739 318218526 /nfs/dbraw/zinc/21/85/26/318218526.db2.gz TUAVMBJESSYESE-UHFFFAOYSA-N -1 3 310.806 2.834 20 0 DFADHM COc1ccc([C@H](C)CCNC(=O)Cc2cncc([O-])c2)cc1 ZINC000577886591 318224541 /nfs/dbraw/zinc/22/45/41/318224541.db2.gz PEEVITUNZCMEGW-CYBMUJFWSA-N -1 3 314.385 2.648 20 0 DFADHM CC(C)Cc1csc2[n-]c(-c3cnc(N)cn3)nc(=O)c12 ZINC000578124272 318239022 /nfs/dbraw/zinc/23/90/22/318239022.db2.gz UXOIKEICWOJJGW-UHFFFAOYSA-N -1 3 301.375 2.635 20 0 DFADHM O=c1cc(CN2CCC(Cc3cccnc3)CC2)nc(C2CC2)[n-]1 ZINC000578222461 318246241 /nfs/dbraw/zinc/24/62/41/318246241.db2.gz GSDRQDJWIUNZQN-UHFFFAOYSA-N -1 3 324.428 2.909 20 0 DFADHM O=c1[n-]c([C@@H]2CCCCN2CCc2ccc(Cl)cc2)n[nH]1 ZINC000578293420 318250314 /nfs/dbraw/zinc/25/03/14/318250314.db2.gz QGHUAPQEBHYYIC-ZDUSSCGKSA-N -1 3 306.797 2.933 20 0 DFADHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000578333195 318253924 /nfs/dbraw/zinc/25/39/24/318253924.db2.gz QKXXFUAQZJNTET-NEPJUHHUSA-N -1 3 321.801 2.633 20 0 DFADHM C[C@H](C(=O)[O-])N(Cc1cn2cc(Cl)ccc2n1)C1CCC1 ZINC000578908647 318294782 /nfs/dbraw/zinc/29/47/82/318294782.db2.gz FWBORXNITDBRAS-SNVBAGLBSA-N -1 3 307.781 2.815 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@@H]2CC23CCSCC3)c1 ZINC000579224147 318315529 /nfs/dbraw/zinc/31/55/29/318315529.db2.gz CLIJYYOUYIRTLT-NSHDSACASA-N -1 3 307.415 2.664 20 0 DFADHM O=c1cc(C[S@@](=O)Cc2c(F)cccc2F)nc(C2CC2)[n-]1 ZINC000579328298 318322910 /nfs/dbraw/zinc/32/29/10/318322910.db2.gz NVGXWWBLXLPRRA-JOCHJYFZSA-N -1 3 324.352 2.787 20 0 DFADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@H](C)CC1 ZINC000579365121 318326165 /nfs/dbraw/zinc/32/61/65/318326165.db2.gz NRHQZCMUHIHNMY-KBPBESRZSA-N -1 3 318.417 2.512 20 0 DFADHM CO[C@](C)(C(=O)Nc1ccc(Br)cc1[O-])C1CC1 ZINC000579424750 318328527 /nfs/dbraw/zinc/32/85/27/318328527.db2.gz DAPOBDOPYLYPAN-ZDUSSCGKSA-N -1 3 314.179 2.908 20 0 DFADHM O=C([O-])C1(NCc2nncn2-c2ccccc2)CCCCCC1 ZINC000579603055 318342507 /nfs/dbraw/zinc/34/25/07/318342507.db2.gz DNOVXIFDLVQTGX-UHFFFAOYSA-N -1 3 314.389 2.535 20 0 DFADHM O=S(=O)([N-]Cc1cc(C2CC2)ccc1F)c1cncc(F)c1 ZINC000579675321 318346541 /nfs/dbraw/zinc/34/65/41/318346541.db2.gz SWXIEDATLIAGQZ-UHFFFAOYSA-N -1 3 324.352 2.716 20 0 DFADHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CC1)c1cscn1 ZINC000579708059 318349029 /nfs/dbraw/zinc/34/90/29/318349029.db2.gz LQIFGUBHHFWQAL-UHFFFAOYSA-N -1 3 314.819 2.764 20 0 DFADHM O=C([O-])[C@H]1c2ccccc2CCN1CCOc1cccc(F)c1 ZINC000579968162 318367191 /nfs/dbraw/zinc/36/71/91/318367191.db2.gz KOGGMZBWNFYBQY-QGZVFWFLSA-N -1 3 315.344 2.889 20 0 DFADHM CC1(C)CN(C(=O)Cc2cncc([O-])c2)CC[C@@H]1C(F)(F)F ZINC000579978258 318368052 /nfs/dbraw/zinc/36/80/52/318368052.db2.gz RTDDMLPQVCAOOG-LBPRGKRZSA-N -1 3 316.323 2.767 20 0 DFADHM Cc1cc(C(=O)N2C[C@H](c3cnn(C)c3)C(C)(C)C2)ccc1[O-] ZINC000580093735 318376140 /nfs/dbraw/zinc/37/61/40/318376140.db2.gz JTZYQEBLHMQUCP-OAHLLOKOSA-N -1 3 313.401 2.700 20 0 DFADHM COC(=O)c1nsc([N-]C(=O)c2oc3ccccc3c2C)n1 ZINC000580144488 318377801 /nfs/dbraw/zinc/37/78/01/318377801.db2.gz VKRTVFXREPLDPG-UHFFFAOYSA-N -1 3 317.326 2.632 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N(Cc1cccc(F)c1)C1CC1 ZINC000189788223 323226104 /nfs/dbraw/zinc/22/61/04/323226104.db2.gz CEQNDDOEZJLUPV-UHFFFAOYSA-N -1 3 310.332 2.902 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N(Cc1cccc(F)c1)C1CC1 ZINC000189788223 323226105 /nfs/dbraw/zinc/22/61/05/323226105.db2.gz CEQNDDOEZJLUPV-UHFFFAOYSA-N -1 3 310.332 2.902 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N(Cc1cccc(F)c1)C1CC1 ZINC000189788223 323226111 /nfs/dbraw/zinc/22/61/11/323226111.db2.gz CEQNDDOEZJLUPV-UHFFFAOYSA-N -1 3 310.332 2.902 20 0 DFADHM CC(C)[C@](C)(O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193398450 323254184 /nfs/dbraw/zinc/25/41/84/323254184.db2.gz LTMCARDCFOREKI-CYBMUJFWSA-N -1 3 305.296 2.548 20 0 DFADHM CCCc1ccc(CSc2nc3n[nH]cc3c(=O)[n-]2)cc1 ZINC000194776865 323272335 /nfs/dbraw/zinc/27/23/35/323272335.db2.gz FWANZQCNWHGNLT-UHFFFAOYSA-N -1 3 300.387 2.891 20 0 DFADHM Cc1cc(F)ccc1CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195169164 323279166 /nfs/dbraw/zinc/27/91/66/323279166.db2.gz AMLVFJQIMYGMGR-UHFFFAOYSA-N -1 3 311.382 2.524 20 0 DFADHM Cc1cc(F)ccc1CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195169164 323279168 /nfs/dbraw/zinc/27/91/68/323279168.db2.gz AMLVFJQIMYGMGR-UHFFFAOYSA-N -1 3 311.382 2.524 20 0 DFADHM Cc1ccc(C)c(OCCCN2CCSC[C@H]2CC(=O)[O-])c1 ZINC000387589278 323326384 /nfs/dbraw/zinc/32/63/84/323326384.db2.gz FMBNFDSCUNTFNW-OAHLLOKOSA-N -1 3 323.458 2.964 20 0 DFADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000389967724 323340154 /nfs/dbraw/zinc/34/01/54/323340154.db2.gz YFUVYXJIUJRCRU-YOEHRIQHSA-N -1 3 310.397 2.643 20 0 DFADHM C[C@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])[C@@H](N)c1ccccc1 ZINC000390849980 323343218 /nfs/dbraw/zinc/34/32/18/323343218.db2.gz GLTLHFUTGZHDSX-JLJPHGGASA-N -1 3 318.417 2.568 20 0 DFADHM CC[C@@]1(C)CCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000580440958 323386280 /nfs/dbraw/zinc/38/62/80/323386280.db2.gz XPWMPNGYZMVDEF-ACJLOTCBSA-N -1 3 318.417 2.512 20 0 DFADHM CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2cncc([O-])c2)C1(CC)CC ZINC000580449358 323388156 /nfs/dbraw/zinc/38/81/56/323388156.db2.gz NLHXUYZDHXLLQT-HZPDHXFCSA-N -1 3 320.433 2.772 20 0 DFADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@H](O)C(C)(C)C2)c1C ZINC000580776201 323434428 /nfs/dbraw/zinc/43/44/28/323434428.db2.gz OLMBDEKGGDKQOQ-AWEZNQCLSA-N -1 3 314.385 2.757 20 0 DFADHM CCOC(=O)c1cnc([N-]C(=O)Nc2cccc(C)c2C)n1C ZINC000581120652 323477734 /nfs/dbraw/zinc/47/77/34/323477734.db2.gz KUMCAKNSYBZXAJ-UHFFFAOYSA-N -1 3 316.361 2.858 20 0 DFADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000581498807 323532220 /nfs/dbraw/zinc/53/22/20/323532220.db2.gz KOVHORXJGLWVOI-GOEBONIOSA-N -1 3 314.360 2.921 20 0 DFADHM CCc1c([N-]C(=O)c2coc(COC)n2)onc1C(F)(F)F ZINC000581507475 323533009 /nfs/dbraw/zinc/53/30/09/323533009.db2.gz IQDBIKQGJLHNOB-UHFFFAOYSA-N -1 3 319.239 2.643 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)cn1C ZINC000582170390 323627049 /nfs/dbraw/zinc/62/70/49/323627049.db2.gz FALXFLCOQXOTFQ-GFCCVEGCSA-N -1 3 311.451 2.545 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2cccc(C3CC3)c2)c1 ZINC000583363407 323841561 /nfs/dbraw/zinc/84/15/61/323841561.db2.gz AMLURTHGDJJLDX-GFCCVEGCSA-N -1 3 319.430 2.820 20 0 DFADHM Cc1ccc2ncc(C(=O)[O-])c(N[C@H]3CCO[C@@H](C)C3)c2c1 ZINC000584412735 337321625 /nfs/dbraw/zinc/32/16/25/337321625.db2.gz PHWHWCFGXIIMOB-RYUDHWBXSA-N -1 3 300.358 2.643 20 0 DFADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)CC(C)C ZINC000416655934 500827720 /nfs/dbraw/zinc/82/77/20/500827720.db2.gz XRINYETZRUQDAV-LLVKDONJSA-N -1 3 323.817 2.819 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c[n-]1 ZINC000331839381 533747025 /nfs/dbraw/zinc/74/70/25/533747025.db2.gz ZFAJZJCTCJPMCQ-QMMMGPOBSA-N -1 3 319.386 2.635 20 0 DFADHM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2)cc(OC)c1 ZINC000315498551 533902016 /nfs/dbraw/zinc/90/20/16/533902016.db2.gz VOGLXULPCCPYIX-INIZCTEOSA-N -1 3 301.342 2.619 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1c1nc2nncc-2c(O)[n-]1 ZINC000294883862 533999571 /nfs/dbraw/zinc/99/95/71/533999571.db2.gz FNVOWTKYSXHQLG-MDZLAQPJSA-N -1 3 309.373 2.829 20 0 DFADHM C[C@H](O)C(C)(C)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000295683337 534044478 /nfs/dbraw/zinc/04/44/78/534044478.db2.gz MOZZOKQANCURHF-LBPRGKRZSA-N -1 3 301.386 2.754 20 0 DFADHM C[C@H](CNC(=O)OC(C)(C)C)NCc1c(F)ccc([O-])c1F ZINC000294615163 534117002 /nfs/dbraw/zinc/11/70/02/534117002.db2.gz IUAQHKKZNCJGBN-SECBINFHSA-N -1 3 316.348 2.673 20 0 DFADHM COc1cccc(C(=O)Nc2ccccc2-n2cccn2)c1[O-] ZINC000120611760 518165130 /nfs/dbraw/zinc/16/51/30/518165130.db2.gz OLQHJKCNMOWCKG-UHFFFAOYSA-N -1 3 309.325 2.839 20 0 DFADHM CCCC[C@H](C)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000359141021 521140232 /nfs/dbraw/zinc/14/02/32/521140232.db2.gz GUXJVQYRTTWNKG-QMMMGPOBSA-N -1 3 307.320 2.544 20 0 DFADHM CCCC[C@H](C)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000359141021 521140243 /nfs/dbraw/zinc/14/02/43/521140243.db2.gz GUXJVQYRTTWNKG-QMMMGPOBSA-N -1 3 307.320 2.544 20 0 DFADHM CCCC[C@H](C)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000359141021 521140249 /nfs/dbraw/zinc/14/02/49/521140249.db2.gz GUXJVQYRTTWNKG-QMMMGPOBSA-N -1 3 307.320 2.544 20 0 DFADHM CC(C)(C)CC[C@@H](CO)NC(=O)Cc1ccc([O-])cc1Cl ZINC000358435947 534595963 /nfs/dbraw/zinc/59/59/63/534595963.db2.gz ZMSBJLSPRKIHJU-LBPRGKRZSA-N -1 3 313.825 2.892 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@@H](c3ccncn3)C2)ccc1[O-] ZINC000366196215 523754988 /nfs/dbraw/zinc/75/49/88/523754988.db2.gz WXOHYTZJBJMPJI-OAHLLOKOSA-N -1 3 311.385 2.764 20 0 DFADHM CC[C@H](C(=O)[O-])N(C)Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000365050833 523808885 /nfs/dbraw/zinc/80/88/85/523808885.db2.gz BGTDJSDGGTUNGS-CQSZACIVSA-N -1 3 307.781 2.821 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000356260015 524506820 /nfs/dbraw/zinc/50/68/20/524506820.db2.gz HKQTURKNSVFZIK-NSHDSACASA-N -1 3 303.424 2.698 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCCc3nc(C)sc32)c1 ZINC000365037904 524730520 /nfs/dbraw/zinc/73/05/20/524730520.db2.gz IOJRERBVJLMISF-CYBMUJFWSA-N -1 3 318.398 2.973 20 0 DFADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000156091413 525267939 /nfs/dbraw/zinc/26/79/39/525267939.db2.gz YNERYFCONFJYLQ-GFCCVEGCSA-N -1 3 324.229 2.841 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)c1 ZINC000365563006 525336679 /nfs/dbraw/zinc/33/66/79/525336679.db2.gz AQNZUVCSZYTOMF-ZDUSSCGKSA-N -1 3 324.380 2.960 20 0 DFADHM Cc1ccc([O-])c(CN2CCC(c3noc(C(F)F)n3)CC2)n1 ZINC000365951531 525341100 /nfs/dbraw/zinc/34/11/00/525341100.db2.gz RTCATWAOGUMECD-UHFFFAOYSA-N -1 3 324.331 2.796 20 0 DFADHM Cc1cc([C@@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C2)cs1 ZINC000364904438 525497523 /nfs/dbraw/zinc/49/75/23/525497523.db2.gz HVIVMWZARCTMRH-GFCCVEGCSA-N -1 3 312.398 2.958 20 0 DFADHM Cc1c([O-])ccc2c(CN3CCc4ncccc4C3)cc(=O)oc12 ZINC000366376043 525878298 /nfs/dbraw/zinc/87/82/98/525878298.db2.gz CKFNNQJIVMXCPK-UHFFFAOYSA-N -1 3 322.364 2.760 20 0 DFADHM CC(C)c1ncc(NC(=O)c2c[n-]c3ccccc3c2=O)cn1 ZINC000358422353 534900369 /nfs/dbraw/zinc/90/03/69/534900369.db2.gz CCWWNLJOSZPQQD-UHFFFAOYSA-N -1 3 308.341 2.694 20 0 DFADHM CC(C)c1ncc(NC(=O)c2cnc3ccccc3c2[O-])cn1 ZINC000358422353 534900377 /nfs/dbraw/zinc/90/03/77/534900377.db2.gz CCWWNLJOSZPQQD-UHFFFAOYSA-N -1 3 308.341 2.694 20 0 DFADHM Cc1ccc(C(=O)NC(C)(C)C(=O)NCC2CCCC2)c([O-])c1 ZINC000156824932 526145483 /nfs/dbraw/zinc/14/54/83/526145483.db2.gz JUSSXPNSLQNKKV-UHFFFAOYSA-N -1 3 318.417 2.515 20 0 DFADHM Cc1csc(NC2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000364279508 526394489 /nfs/dbraw/zinc/39/44/89/526394489.db2.gz NFHVGDQEEUUVOH-UHFFFAOYSA-N -1 3 317.414 2.874 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000364803674 526685726 /nfs/dbraw/zinc/68/57/26/526685726.db2.gz CECAVNWKJBTQJG-OAHLLOKOSA-N -1 3 321.735 2.805 20 0 DFADHM Cc1nccn1-c1ccc([C@H](C)NCc2n[n-]c(=O)s2)cc1 ZINC000367448812 527382639 /nfs/dbraw/zinc/38/26/39/527382639.db2.gz MECYWXNLEGJSQF-JTQLQIEISA-N -1 3 315.402 2.589 20 0 DFADHM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000295760837 527426439 /nfs/dbraw/zinc/42/64/39/527426439.db2.gz PBXGRXJPCUSLDZ-JTQLQIEISA-N -1 3 319.858 2.795 20 0 DFADHM CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000330842445 527468477 /nfs/dbraw/zinc/46/84/77/527468477.db2.gz WSLYASBZMANNRM-CQSZACIVSA-N -1 3 308.353 2.507 20 0 DFADHM [O-]c1cc(F)cc(CN[C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365166002 527619162 /nfs/dbraw/zinc/61/91/62/527619162.db2.gz DKWYZFASYHHMEA-KDOFPFPSSA-N -1 3 301.361 2.917 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000363845753 527648999 /nfs/dbraw/zinc/64/89/99/527648999.db2.gz BDKDHOLKVSELBT-LXXRFIIISA-N -1 3 316.401 2.608 20 0 DFADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ncccc1[O-] ZINC000331004828 527808808 /nfs/dbraw/zinc/80/88/08/527808808.db2.gz GYTGTPWAEMNFLR-CPUCHLNUSA-N -1 3 320.433 2.881 20 0 DFADHM CCC[C@H](C)CS(=O)(=O)[N-]C1(c2noc(C)n2)CCCC1 ZINC000332415233 528036201 /nfs/dbraw/zinc/03/62/01/528036201.db2.gz QBEFODMTEMIFMV-NSHDSACASA-N -1 3 315.439 2.503 20 0 DFADHM CCC[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)OC ZINC000296362520 528154248 /nfs/dbraw/zinc/15/42/48/528154248.db2.gz WUWCQAYXXRAZTM-SNVBAGLBSA-N -1 3 309.790 2.573 20 0 DFADHM CC(C)Oc1cccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000320243763 528226795 /nfs/dbraw/zinc/22/67/95/528226795.db2.gz OKVVWHPONYTWBE-UHFFFAOYSA-N -1 3 310.353 2.970 20 0 DFADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc2c(c1)CCC2 ZINC000296679106 528562112 /nfs/dbraw/zinc/56/21/12/528562112.db2.gz XAJOHERHMAFMCR-UHFFFAOYSA-N -1 3 306.362 2.570 20 0 DFADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc2c(c1)CCC2 ZINC000296679106 528562116 /nfs/dbraw/zinc/56/21/16/528562116.db2.gz XAJOHERHMAFMCR-UHFFFAOYSA-N 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O=C(Nc1ccc([O-])cc1F)c1cnn(CC(F)(F)F)c1 ZINC000682528365 545867513 /nfs/dbraw/zinc/86/75/13/545867513.db2.gz YPAWONDPGOPKPM-UHFFFAOYSA-N -1 3 303.215 2.542 20 0 DFADHM Cc1ccc([O-])c(C(=O)NC[C@H](c2ccnn2C)C(C)C)c1 ZINC000682676180 545894939 /nfs/dbraw/zinc/89/49/39/545894939.db2.gz SQPUGQMHSYMUFT-AWEZNQCLSA-N -1 3 301.390 2.604 20 0 DFADHM CCc1ccc(C(=O)NC[C@H](c2ccnn2C)C(C)C)c([O-])c1 ZINC000682685046 545897161 /nfs/dbraw/zinc/89/71/61/545897161.db2.gz MUJVBPCDTOXOPU-HNNXBMFYSA-N -1 3 315.417 2.858 20 0 DFADHM CCc1cccc(C(=O)NC[C@@H](c2ccnn2C)C(C)C)c1[O-] ZINC000682684350 545897457 /nfs/dbraw/zinc/89/74/57/545897457.db2.gz FJDVXNPHPNXOLS-OAHLLOKOSA-N -1 3 315.417 2.858 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)c([O-])c1 ZINC000682803748 545917693 /nfs/dbraw/zinc/91/76/93/545917693.db2.gz CMQASHQENHUEJL-STQMWFEESA-N -1 3 307.390 2.604 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2c[n-]c3ccccc3c2=O)nc1 ZINC000682817093 545920273 /nfs/dbraw/zinc/92/02/73/545920273.db2.gz OWVTWUUNVCLBTL-UHFFFAOYSA-N 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PURPURWZCWIOON-UHFFFAOYSA-N -1 3 314.357 2.865 20 0 DFADHM O=S(=O)([N-][C@H]1CCC[C@@H](O)C1)c1ccc(Cl)cc1Cl ZINC000684656946 546257848 /nfs/dbraw/zinc/25/78/48/546257848.db2.gz DRPQJLRMLLAUJJ-VHSXEESVSA-N -1 3 324.229 2.575 20 0 DFADHM O=S(=O)([N-]CC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000684657590 546258220 /nfs/dbraw/zinc/25/82/20/546258220.db2.gz SIRUELYWGDVRBT-JTQLQIEISA-N -1 3 324.229 2.841 20 0 DFADHM CC[C@H]1CN(C)CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000684826049 546286365 /nfs/dbraw/zinc/28/63/65/546286365.db2.gz UEHBZJLFTWXHSL-NSHDSACASA-N -1 3 314.788 2.741 20 0 DFADHM C[C@H]1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[O-])N1C ZINC000684850302 546292612 /nfs/dbraw/zinc/29/26/12/546292612.db2.gz UMUOVMCXMPNSIU-ONGXEEELSA-N -1 3 316.323 2.624 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1Cn1cccn1 ZINC000685715339 546385529 /nfs/dbraw/zinc/38/55/29/546385529.db2.gz GIGNAGKTMSNGTE-NSHDSACASA-N -1 3 305.765 2.547 20 0 DFADHM CC(C)[C@@H](CNC(=O)c1cc([O-])ccc1Cl)c1ccnn1C ZINC000685831509 546395892 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CC(C)c1cnc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000735933659 598831629 /nfs/dbraw/zinc/83/16/29/598831629.db2.gz ZHQZWYMPXKOIBZ-UHFFFAOYSA-N -1 3 312.377 2.610 20 0 DFADHM Cc1occc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737556463 598857376 /nfs/dbraw/zinc/85/73/76/598857376.db2.gz IVLOOBMCECWVJS-VOTSOKGWSA-N -1 3 310.313 2.525 20 0 DFADHM Cc1occc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737556463 598857377 /nfs/dbraw/zinc/85/73/77/598857377.db2.gz IVLOOBMCECWVJS-VOTSOKGWSA-N -1 3 310.313 2.525 20 0 DFADHM Cc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737303056 598859669 /nfs/dbraw/zinc/85/96/69/598859669.db2.gz GYHCTRHEGXFCSH-UHFFFAOYSA-N -1 3 304.313 2.892 20 0 DFADHM Cc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737303056 598859671 /nfs/dbraw/zinc/85/96/71/598859671.db2.gz GYHCTRHEGXFCSH-UHFFFAOYSA-N -1 3 304.313 2.892 20 0 DFADHM Cc1noc(C)c1[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737535546 598870610 /nfs/dbraw/zinc/87/06/10/598870610.db2.gz BAPLOJRERSLWKL-ZCFIWIBFSA-N -1 3 319.756 2.693 20 0 DFADHM Cc1noc(C)c1[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737535546 598870612 /nfs/dbraw/zinc/87/06/12/598870612.db2.gz BAPLOJRERSLWKL-ZCFIWIBFSA-N -1 3 319.756 2.693 20 0 DFADHM CC(C)CCC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000735798738 598883673 /nfs/dbraw/zinc/88/36/73/598883673.db2.gz ZDFHMNUYZDNTBB-LBPRGKRZSA-N -1 3 318.377 2.613 20 0 DFADHM CC(C)CCC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000735798738 598883674 /nfs/dbraw/zinc/88/36/74/598883674.db2.gz ZDFHMNUYZDNTBB-LBPRGKRZSA-N -1 3 318.377 2.613 20 0 DFADHM CC/C=C(\C)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736408233 598887740 /nfs/dbraw/zinc/88/77/40/598887740.db2.gz DXCMRQHIUKUWBW-BCMYLCSRSA-N -1 3 316.361 2.534 20 0 DFADHM CC/C=C(\C)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736408233 598887741 /nfs/dbraw/zinc/88/77/41/598887741.db2.gz DXCMRQHIUKUWBW-BCMYLCSRSA-N -1 3 316.361 2.534 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OCC(F)(F)C(F)F ZINC000736628191 598891817 /nfs/dbraw/zinc/89/18/17/598891817.db2.gz SXVCOQOVGWLJMU-UHFFFAOYSA-N -1 3 320.246 2.545 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OCC(F)(F)C(F)F ZINC000736628191 598891819 /nfs/dbraw/zinc/89/18/19/598891819.db2.gz SXVCOQOVGWLJMU-UHFFFAOYSA-N -1 3 320.246 2.545 20 0 DFADHM CCc1ccccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736695491 598913754 /nfs/dbraw/zinc/91/37/54/598913754.db2.gz MEPHQZBXMZKQHP-UHFFFAOYSA-N -1 3 322.372 2.751 20 0 DFADHM CCc1ccccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736695491 598913756 /nfs/dbraw/zinc/91/37/56/598913756.db2.gz MEPHQZBXMZKQHP-UHFFFAOYSA-N -1 3 322.372 2.751 20 0 DFADHM CN(c1cccc(F)c1-c1nnn[n-]1)[C@H]1CCc2ccccc2C1 ZINC000736842699 598914361 /nfs/dbraw/zinc/91/43/61/598914361.db2.gz UREWRKFSDGSBNR-AWEZNQCLSA-N -1 3 323.375 3.000 20 0 DFADHM CN(c1cccc(F)c1-c1nn[n-]n1)[C@H]1CCc2ccccc2C1 ZINC000736842699 598914363 /nfs/dbraw/zinc/91/43/63/598914363.db2.gz UREWRKFSDGSBNR-AWEZNQCLSA-N -1 3 323.375 3.000 20 0 DFADHM CCN(Cc1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736556131 598934500 /nfs/dbraw/zinc/93/45/00/598934500.db2.gz NDVCEZPKNPOVLT-UHFFFAOYSA-N -1 3 314.780 2.942 20 0 DFADHM CCN(Cc1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736556131 598934502 /nfs/dbraw/zinc/93/45/02/598934502.db2.gz NDVCEZPKNPOVLT-UHFFFAOYSA-N -1 3 314.780 2.942 20 0 DFADHM C[C@H]1CCCC[C@H]1N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736276542 598936933 /nfs/dbraw/zinc/93/69/33/598936933.db2.gz ZBOTXWOMDKBGFX-JOYOIKCWSA-N -1 3 306.801 2.930 20 0 DFADHM C[C@H]1CCCC[C@H]1N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736276542 598936935 /nfs/dbraw/zinc/93/69/35/598936935.db2.gz ZBOTXWOMDKBGFX-JOYOIKCWSA-N -1 3 306.801 2.930 20 0 DFADHM Cc1ccc2nc(CNc3cccc(-c4nnn[n-]4)c3C)cn2c1 ZINC000822280810 607256903 /nfs/dbraw/zinc/25/69/03/607256903.db2.gz XPJFENDBGCOEMD-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1ccc2nc(CNc3cccc(-c4nn[n-]n4)c3C)cn2c1 ZINC000822280810 607256904 /nfs/dbraw/zinc/25/69/04/607256904.db2.gz XPJFENDBGCOEMD-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM CCOC(=O)C[C@@H](C)SCc1cc(-c2nnn[n-]2)ccc1F ZINC000736594096 599014612 /nfs/dbraw/zinc/01/46/12/599014612.db2.gz NMGANMAXPQYNKO-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)C[C@@H](C)SCc1cc(-c2nn[n-]n2)ccc1F ZINC000736594096 599014613 /nfs/dbraw/zinc/01/46/13/599014613.db2.gz NMGANMAXPQYNKO-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000735513189 599015094 /nfs/dbraw/zinc/01/50/94/599015094.db2.gz IUSCLTRZXTWSTJ-NSHDSACASA-N -1 3 301.394 2.507 20 0 DFADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000735513189 599015095 /nfs/dbraw/zinc/01/50/95/599015095.db2.gz IUSCLTRZXTWSTJ-NSHDSACASA-N -1 3 301.394 2.507 20 0 DFADHM C[C@@H]1CCC[C@@H](CCNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736250750 599016652 /nfs/dbraw/zinc/01/66/52/599016652.db2.gz MBTACZNZCMYHQD-OLZOCXBDSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@@H]1CCC[C@@H](CCNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736250750 599016654 /nfs/dbraw/zinc/01/66/54/599016654.db2.gz MBTACZNZCMYHQD-OLZOCXBDSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@H]1CCC[C@@H](CCNC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736252125 599016819 /nfs/dbraw/zinc/01/68/19/599016819.db2.gz PKZFXODTADNBGB-QWRGUYRKSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@H]1CCC[C@@H](CCNC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736252125 599016820 /nfs/dbraw/zinc/01/68/20/599016820.db2.gz PKZFXODTADNBGB-QWRGUYRKSA-N -1 3 319.434 2.874 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CC1CC1)CC1CC1 ZINC000737801227 599018029 /nfs/dbraw/zinc/01/80/29/599018029.db2.gz SMOPRNDJUWAUFQ-KTKRTIGZSA-N -1 3 323.400 2.529 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC1CC1)CC1CC1 ZINC000737801227 599018031 /nfs/dbraw/zinc/01/80/31/599018031.db2.gz SMOPRNDJUWAUFQ-KTKRTIGZSA-N -1 3 323.400 2.529 20 0 DFADHM O=C(O[C@H]1CCc2ccccc21)c1sccc1-c1nnn[n-]1 ZINC000738220663 599027519 /nfs/dbraw/zinc/02/75/19/599027519.db2.gz SHTISRPXPRQOSB-LBPRGKRZSA-N -1 3 312.354 2.773 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCc2ccco2)n1 ZINC000737635933 599039944 /nfs/dbraw/zinc/03/99/44/599039944.db2.gz QTOQDHQKQISOOF-UHFFFAOYSA-N -1 3 324.266 2.528 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCc2ccco2)n1 ZINC000737635933 599039947 /nfs/dbraw/zinc/03/99/47/599039947.db2.gz QTOQDHQKQISOOF-UHFFFAOYSA-N -1 3 324.266 2.528 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCC2CCCC2)n1 ZINC000737635684 599045163 /nfs/dbraw/zinc/04/51/63/599045163.db2.gz MRGRBPSSRJOVSS-UHFFFAOYSA-N -1 3 312.299 2.883 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCC2CCCC2)n1 ZINC000737635684 599045166 /nfs/dbraw/zinc/04/51/66/599045166.db2.gz MRGRBPSSRJOVSS-UHFFFAOYSA-N -1 3 312.299 2.883 20 0 DFADHM COC(C)(C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000821672495 599045646 /nfs/dbraw/zinc/04/56/46/599045646.db2.gz MZDSIMDCAZZPBA-MRVPVSSYSA-N -1 3 310.789 2.531 20 0 DFADHM COC(C)(C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000821672495 599045648 /nfs/dbraw/zinc/04/56/48/599045648.db2.gz MZDSIMDCAZZPBA-MRVPVSSYSA-N -1 3 310.789 2.531 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822516377 599055437 /nfs/dbraw/zinc/05/54/37/599055437.db2.gz XNSSKVDWSSNOIS-JHJVBQTASA-N -1 3 313.409 2.654 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822516377 599055440 /nfs/dbraw/zinc/05/54/40/599055440.db2.gz XNSSKVDWSSNOIS-JHJVBQTASA-N -1 3 313.409 2.654 20 0 DFADHM COc1cccc(F)c1[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000821873837 599055921 /nfs/dbraw/zinc/05/59/21/599055921.db2.gz YXPSKRZASBWKNP-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM COc1cccc(F)c1[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000821873837 599055924 /nfs/dbraw/zinc/05/59/24/599055924.db2.gz YXPSKRZASBWKNP-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC000736233641 599060236 /nfs/dbraw/zinc/06/02/36/599060236.db2.gz FVNZVTISOUWJPS-SWLSCSKDSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC000736233641 599060238 /nfs/dbraw/zinc/06/02/38/599060238.db2.gz FVNZVTISOUWJPS-SWLSCSKDSA-N -1 3 306.373 2.644 20 0 DFADHM Cc1noc([C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000737538843 599064754 /nfs/dbraw/zinc/06/47/54/599064754.db2.gz QAROKYUUWMKUFW-ZCFIWIBFSA-N -1 3 306.326 2.551 20 0 DFADHM Cc1noc([C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000737538843 599064757 /nfs/dbraw/zinc/06/47/57/599064757.db2.gz QAROKYUUWMKUFW-ZCFIWIBFSA-N -1 3 306.326 2.551 20 0 DFADHM C[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@@H](C)S1 ZINC000820766675 599075101 /nfs/dbraw/zinc/07/51/01/599075101.db2.gz CERMTAFMWGIYEF-RKDXNWHRSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@@H](C)S1 ZINC000820766675 599075104 /nfs/dbraw/zinc/07/51/04/599075104.db2.gz CERMTAFMWGIYEF-RKDXNWHRSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)Sc1ccccc1 ZINC000820276182 599079493 /nfs/dbraw/zinc/07/94/93/599079493.db2.gz UAOMVCLYDQLVKJ-NSHDSACASA-N -1 3 312.402 2.854 20 0 DFADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)Sc1ccccc1 ZINC000820276182 599079496 /nfs/dbraw/zinc/07/94/96/599079496.db2.gz UAOMVCLYDQLVKJ-NSHDSACASA-N -1 3 312.402 2.854 20 0 DFADHM CCc1cnc(CCNc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000821496429 599082966 /nfs/dbraw/zinc/08/29/66/599082966.db2.gz FMXQEDWFHGYPSZ-UHFFFAOYSA-N -1 3 318.381 2.679 20 0 DFADHM CCc1cnc(CCNc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000821496429 599082968 /nfs/dbraw/zinc/08/29/68/599082968.db2.gz FMXQEDWFHGYPSZ-UHFFFAOYSA-N -1 3 318.381 2.679 20 0 DFADHM COC(=O)c1ccoc1CSc1ccccc1-c1nnn[n-]1 ZINC000736957058 599110286 /nfs/dbraw/zinc/11/02/86/599110286.db2.gz JFWUVXSJQYYDFF-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM COC(=O)c1ccoc1CSc1ccccc1-c1nn[n-]n1 ZINC000736957058 599110287 /nfs/dbraw/zinc/11/02/87/599110287.db2.gz JFWUVXSJQYYDFF-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM COC(=O)c1occc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821671239 599125548 /nfs/dbraw/zinc/12/55/48/599125548.db2.gz NQTOGGQRYUBTLJ-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM COC(=O)c1occc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821671239 599125549 /nfs/dbraw/zinc/12/55/49/599125549.db2.gz NQTOGGQRYUBTLJ-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM CCC[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)OCC ZINC000736434755 599169649 /nfs/dbraw/zinc/16/96/49/599169649.db2.gz HWINESJHIQGSSX-GFCCVEGCSA-N -1 3 324.381 2.830 20 0 DFADHM CCC[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)OCC ZINC000736434755 599169650 /nfs/dbraw/zinc/16/96/50/599169650.db2.gz HWINESJHIQGSSX-GFCCVEGCSA-N -1 3 324.381 2.830 20 0 DFADHM CCCCCC[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736446781 599188814 /nfs/dbraw/zinc/18/88/14/599188814.db2.gz PUDZONWWYBHPNC-LLVKDONJSA-N -1 3 302.382 2.807 20 0 DFADHM CCCCCC[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736446781 599188815 /nfs/dbraw/zinc/18/88/15/599188815.db2.gz PUDZONWWYBHPNC-LLVKDONJSA-N -1 3 302.382 2.807 20 0 DFADHM C[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000820742319 599209107 /nfs/dbraw/zinc/20/91/07/599209107.db2.gz JJUAFNDOPWRUKA-LRDDRELGSA-N -1 3 319.368 2.700 20 0 DFADHM C[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000820742319 599209109 /nfs/dbraw/zinc/20/91/09/599209109.db2.gz JJUAFNDOPWRUKA-LRDDRELGSA-N -1 3 319.368 2.700 20 0 DFADHM CCC[C@@]1(C)CCCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000821027185 599220275 /nfs/dbraw/zinc/22/02/75/599220275.db2.gz LTEWDFZHYYYAKT-HNNXBMFYSA-N -1 3 319.434 2.971 20 0 DFADHM CCC[C@@]1(C)CCCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000821027185 599220277 /nfs/dbraw/zinc/22/02/77/599220277.db2.gz LTEWDFZHYYYAKT-HNNXBMFYSA-N -1 3 319.434 2.971 20 0 DFADHM CC(C)(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735603702 599230779 /nfs/dbraw/zinc/23/07/79/599230779.db2.gz OGNYKADPVZBCGJ-JTQLQIEISA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735603702 599230780 /nfs/dbraw/zinc/23/07/80/599230780.db2.gz OGNYKADPVZBCGJ-JTQLQIEISA-N -1 3 309.801 2.729 20 0 DFADHM CS[C@@H]1CCC[C@H](Nc2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000737178640 599233463 /nfs/dbraw/zinc/23/34/63/599233463.db2.gz BIFZKXKZYNNVGF-NWDGAFQWSA-N -1 3 318.450 2.965 20 0 DFADHM CS[C@@H]1CCC[C@H](Nc2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000737178640 599233466 /nfs/dbraw/zinc/23/34/66/599233466.db2.gz BIFZKXKZYNNVGF-NWDGAFQWSA-N -1 3 318.450 2.965 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1sccc1-c1nnn[n-]1 ZINC000738023583 599227639 /nfs/dbraw/zinc/22/76/39/599227639.db2.gz GQIJZAWXLKNPIF-HBNTYKKESA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1sccc1-c1nn[n-]n1 ZINC000738023583 599227640 /nfs/dbraw/zinc/22/76/40/599227640.db2.gz GQIJZAWXLKNPIF-HBNTYKKESA-N -1 3 317.418 2.627 20 0 DFADHM C[C@H]1CC[C@H](C)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820683448 599238457 /nfs/dbraw/zinc/23/84/57/599238457.db2.gz BFVFCCBNZKIODW-QWRGUYRKSA-N -1 3 316.434 2.684 20 0 DFADHM C[C@H]1CC[C@H](C)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820683448 599238459 /nfs/dbraw/zinc/23/84/59/599238459.db2.gz BFVFCCBNZKIODW-QWRGUYRKSA-N -1 3 316.434 2.684 20 0 DFADHM C[C@@H]1CC[C@H](C)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820683447 599238787 /nfs/dbraw/zinc/23/87/87/599238787.db2.gz BFVFCCBNZKIODW-MNOVXSKESA-N -1 3 316.434 2.684 20 0 DFADHM C[C@@H]1CC[C@H](C)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820683447 599238790 /nfs/dbraw/zinc/23/87/90/599238790.db2.gz BFVFCCBNZKIODW-MNOVXSKESA-N -1 3 316.434 2.684 20 0 DFADHM C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818075854 597070098 /nfs/dbraw/zinc/07/00/98/597070098.db2.gz RJZJCYBEVOUWJR-CHWSQXEVSA-N -1 3 315.373 2.984 20 0 DFADHM Cc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000822234728 607270384 /nfs/dbraw/zinc/27/03/84/607270384.db2.gz FWXZCNVCZUVNDP-UHFFFAOYSA-N -1 3 321.384 2.973 20 0 DFADHM Cc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000822234728 607270385 /nfs/dbraw/zinc/27/03/85/607270385.db2.gz FWXZCNVCZUVNDP-UHFFFAOYSA-N -1 3 321.384 2.973 20 0 DFADHM Cc1c(NC(=O)CCOc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822067440 607271514 /nfs/dbraw/zinc/27/15/14/607271514.db2.gz JPSKEWISSIJFLP-UHFFFAOYSA-N -1 3 323.356 2.583 20 0 DFADHM Cc1c(NC(=O)CCOc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822067440 607271515 /nfs/dbraw/zinc/27/15/15/607271515.db2.gz JPSKEWISSIJFLP-UHFFFAOYSA-N -1 3 323.356 2.583 20 0 DFADHM Cc1ccccc1CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822355930 607271776 /nfs/dbraw/zinc/27/17/76/607271776.db2.gz BQZSXHIMGSQCHR-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM Cc1ccccc1CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822355930 607271777 /nfs/dbraw/zinc/27/17/77/607271777.db2.gz BQZSXHIMGSQCHR-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM CC(C)C(NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(C)C ZINC000820027700 607272615 /nfs/dbraw/zinc/27/26/15/607272615.db2.gz TWDBGLHTVZZDAH-UHFFFAOYSA-N -1 3 320.372 2.808 20 0 DFADHM CC(C)C(NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(C)C ZINC000820027700 607272616 /nfs/dbraw/zinc/27/26/16/607272616.db2.gz TWDBGLHTVZZDAH-UHFFFAOYSA-N -1 3 320.372 2.808 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC2(CCCC2)C1 ZINC000823359251 599248851 /nfs/dbraw/zinc/24/88/51/599248851.db2.gz LFQZTKSJRAJNTP-UHFFFAOYSA-N -1 3 312.377 2.665 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC2(CCCC2)C1 ZINC000823359251 599248853 /nfs/dbraw/zinc/24/88/53/599248853.db2.gz LFQZTKSJRAJNTP-UHFFFAOYSA-N -1 3 312.377 2.665 20 0 DFADHM CC(C)CCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000735811275 599252638 /nfs/dbraw/zinc/25/26/38/599252638.db2.gz GEADJHVGYJVUAZ-UHFFFAOYSA-N -1 3 318.331 2.573 20 0 DFADHM CC(C)CCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000735811275 599252642 /nfs/dbraw/zinc/25/26/42/599252642.db2.gz GEADJHVGYJVUAZ-UHFFFAOYSA-N -1 3 318.331 2.573 20 0 DFADHM Cc1c(NC(=O)N[C@@H]2CCC[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822091441 607283482 /nfs/dbraw/zinc/28/34/82/607283482.db2.gz RDRZINNCVILCFC-ZYHUDNBSSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@@H]2CCC[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822091441 607283483 /nfs/dbraw/zinc/28/34/83/607283483.db2.gz RDRZINNCVILCFC-ZYHUDNBSSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)NC2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822092677 607284176 /nfs/dbraw/zinc/28/41/76/607284176.db2.gz YKMYFNBWYFDFGF-UHFFFAOYSA-N -1 3 300.366 2.629 20 0 DFADHM Cc1c(NC(=O)NC2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822092677 607284177 /nfs/dbraw/zinc/28/41/77/607284177.db2.gz YKMYFNBWYFDFGF-UHFFFAOYSA-N -1 3 300.366 2.629 20 0 DFADHM O=C([O-])C1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000821510855 597421788 /nfs/dbraw/zinc/42/17/88/597421788.db2.gz BIJSXDKHMGEUOP-ZDUSSCGKSA-N -1 3 318.200 2.823 20 0 DFADHM C[C@@H](C(=O)[O-])N(C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000817779345 597474216 /nfs/dbraw/zinc/47/42/16/597474216.db2.gz KJWNZYOFNSOYFE-RLBGWGEZSA-N -1 3 324.229 2.506 20 0 DFADHM c1cnn(-c2cccc(NCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000823751295 607311735 /nfs/dbraw/zinc/31/17/35/607311735.db2.gz DUPQEXHGFFUHQC-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM c1cnn(-c2cccc(NCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000823751295 607311736 /nfs/dbraw/zinc/31/17/36/607311736.db2.gz DUPQEXHGFFUHQC-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM C[C@H](Nc1nnc(C(F)F)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462121 607303584 /nfs/dbraw/zinc/30/35/84/607303584.db2.gz VBRBTSOGHXPXBE-LURJTMIESA-N -1 3 323.332 2.829 20 0 DFADHM C[C@H](Nc1nnc(C(F)F)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462121 607303585 /nfs/dbraw/zinc/30/35/85/607303585.db2.gz VBRBTSOGHXPXBE-LURJTMIESA-N -1 3 323.332 2.829 20 0 DFADHM CCn1c(C)nnc1S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736720653 599290289 /nfs/dbraw/zinc/29/02/89/599290289.db2.gz VVSGGWAHDIHROE-SECBINFHSA-N -1 3 315.406 2.640 20 0 DFADHM CCn1c(C)nnc1S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736720653 599290291 /nfs/dbraw/zinc/29/02/91/599290291.db2.gz VVSGGWAHDIHROE-SECBINFHSA-N -1 3 315.406 2.640 20 0 DFADHM O=C([O-])C1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000821511200 598120016 /nfs/dbraw/zinc/12/00/16/598120016.db2.gz DEMVIQXZHOEOSN-UHFFFAOYSA-N -1 3 303.337 2.512 20 0 DFADHM Cc1cn(Cc2ncc(-c3ccc(F)cc3)o2)cc1-c1nnn[n-]1 ZINC000822389218 607329978 /nfs/dbraw/zinc/32/99/78/607329978.db2.gz OXBAKEVNUGOFQV-UHFFFAOYSA-N -1 3 324.319 2.819 20 0 DFADHM Cc1cn(Cc2ncc(-c3ccc(F)cc3)o2)cc1-c1nn[n-]n1 ZINC000822389218 607329979 /nfs/dbraw/zinc/32/99/79/607329979.db2.gz OXBAKEVNUGOFQV-UHFFFAOYSA-N -1 3 324.319 2.819 20 0 DFADHM CN(C)CCN(C(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000820539096 598142079 /nfs/dbraw/zinc/14/20/79/598142079.db2.gz FYKKLHHOMXXEJN-UHFFFAOYSA-N -1 3 312.369 2.593 20 0 DFADHM Cc1cscc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826321126 607339124 /nfs/dbraw/zinc/33/91/24/607339124.db2.gz RCVPQGXTPYSSBO-UHFFFAOYSA-N -1 3 313.386 2.808 20 0 DFADHM Cc1cscc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826321126 607339126 /nfs/dbraw/zinc/33/91/26/607339126.db2.gz RCVPQGXTPYSSBO-UHFFFAOYSA-N -1 3 313.386 2.808 20 0 DFADHM CN(CCC1CCCCC1)C(=O)c1sccc1-c1nnn[n-]1 ZINC000736791659 598233498 /nfs/dbraw/zinc/23/34/98/598233498.db2.gz FYVXARWLXFGESW-UHFFFAOYSA-N -1 3 319.434 2.971 20 0 DFADHM CN(CCC1CCCCC1)C(=O)c1sccc1-c1nn[n-]n1 ZINC000736791659 598233500 /nfs/dbraw/zinc/23/35/00/598233500.db2.gz FYVXARWLXFGESW-UHFFFAOYSA-N -1 3 319.434 2.971 20 0 DFADHM CO[C@H](CNc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000736962121 598237148 /nfs/dbraw/zinc/23/71/48/598237148.db2.gz NIHWBQOQCJWCBW-CQSZACIVSA-N -1 3 313.336 2.805 20 0 DFADHM CO[C@H](CNc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000736962121 598237150 /nfs/dbraw/zinc/23/71/50/598237150.db2.gz NIHWBQOQCJWCBW-CQSZACIVSA-N -1 3 313.336 2.805 20 0 DFADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000737094785 598237279 /nfs/dbraw/zinc/23/72/79/598237279.db2.gz ACNKYUOLNGEUHZ-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CO[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000736962119 598237507 /nfs/dbraw/zinc/23/75/07/598237507.db2.gz NIHWBQOQCJWCBW-AWEZNQCLSA-N -1 3 313.336 2.805 20 0 DFADHM CO[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000736962119 598237509 /nfs/dbraw/zinc/23/75/09/598237509.db2.gz NIHWBQOQCJWCBW-AWEZNQCLSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1ccccc1[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000737420269 598245100 /nfs/dbraw/zinc/24/51/00/598245100.db2.gz FCKHFYOTWWYACH-CYBMUJFWSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccccc1[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000737420269 598245102 /nfs/dbraw/zinc/24/51/02/598245102.db2.gz FCKHFYOTWWYACH-CYBMUJFWSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1nnc(N(C)CCC2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737519649 598248510 /nfs/dbraw/zinc/24/85/10/598248510.db2.gz BNQOUQYHGPWJDX-UHFFFAOYSA-N -1 3 315.425 2.680 20 0 DFADHM Cc1nnc(N(C)CCC2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737519649 598248511 /nfs/dbraw/zinc/24/85/11/598248511.db2.gz BNQOUQYHGPWJDX-UHFFFAOYSA-N -1 3 315.425 2.680 20 0 DFADHM Cc1cc(F)ccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822205731 607348496 /nfs/dbraw/zinc/34/84/96/607348496.db2.gz GVJHXWZFQXXNCD-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(F)ccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822205731 607348498 /nfs/dbraw/zinc/34/84/98/607348498.db2.gz GVJHXWZFQXXNCD-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM CCC(CC)CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736342645 598256930 /nfs/dbraw/zinc/25/69/30/598256930.db2.gz QYRVLJYWMFNVPX-NSHDSACASA-N -1 3 316.409 2.663 20 0 DFADHM CCC(CC)CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736342645 598256931 /nfs/dbraw/zinc/25/69/31/598256931.db2.gz QYRVLJYWMFNVPX-NSHDSACASA-N -1 3 316.409 2.663 20 0 DFADHM CCC(CC)CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736342643 598257014 /nfs/dbraw/zinc/25/70/14/598257014.db2.gz QYRVLJYWMFNVPX-LLVKDONJSA-N -1 3 316.409 2.663 20 0 DFADHM CCC(CC)CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736342643 598257016 /nfs/dbraw/zinc/25/70/16/598257016.db2.gz QYRVLJYWMFNVPX-LLVKDONJSA-N -1 3 316.409 2.663 20 0 DFADHM CN(C(=O)C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731775 598311251 /nfs/dbraw/zinc/31/12/51/598311251.db2.gz HJKJQXPOGCHTSZ-YFHOEESVSA-N -1 3 323.331 2.682 20 0 DFADHM CN(C(=O)C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731775 598311252 /nfs/dbraw/zinc/31/12/52/598311252.db2.gz HJKJQXPOGCHTSZ-YFHOEESVSA-N -1 3 323.331 2.682 20 0 DFADHM Fc1ccc(F)c(CNCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737660871 598315659 /nfs/dbraw/zinc/31/56/59/598315659.db2.gz UFHVCNDFNWGULR-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM Fc1ccc(F)c(CNCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737660871 598315661 /nfs/dbraw/zinc/31/56/61/598315661.db2.gz UFHVCNDFNWGULR-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM Cc1ccccc1C1(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737422825 598354949 /nfs/dbraw/zinc/35/49/49/598354949.db2.gz SEFYAWHHPRBGEH-UHFFFAOYSA-N -1 3 306.373 2.714 20 0 DFADHM Cc1ccccc1C1(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737422825 598354951 /nfs/dbraw/zinc/35/49/51/598354951.db2.gz SEFYAWHHPRBGEH-UHFFFAOYSA-N -1 3 306.373 2.714 20 0 DFADHM Cn1ccc2c1cccc2NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737614786 598377880 /nfs/dbraw/zinc/37/78/80/598377880.db2.gz ZSFPSECCONMWGM-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ccc2c1cccc2NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737614786 598377882 /nfs/dbraw/zinc/37/78/82/598377882.db2.gz ZSFPSECCONMWGM-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Fc1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737656571 598387231 /nfs/dbraw/zinc/38/72/31/598387231.db2.gz OQPMWNPNXWBPNM-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Cc1ccc2c(c1)[C@H](Nc1nnc(C)c(C)c1-c1nnn[n-]1)CC2 ZINC000737372465 598388286 /nfs/dbraw/zinc/38/82/86/598388286.db2.gz YNAVYVFEQQPNLD-CQSZACIVSA-N -1 3 321.388 2.681 20 0 DFADHM Cc1ccc2c(c1)[C@H](Nc1nnc(C)c(C)c1-c1nn[n-]n1)CC2 ZINC000737372465 598388287 /nfs/dbraw/zinc/38/82/87/598388287.db2.gz YNAVYVFEQQPNLD-CQSZACIVSA-N -1 3 321.388 2.681 20 0 DFADHM Cc1ccccc1OCCOc1ccc(-c2nn[n-]n2)cc1C ZINC000737431730 598395378 /nfs/dbraw/zinc/39/53/78/598395378.db2.gz LVLDFXNWKGUZBY-UHFFFAOYSA-N -1 3 310.357 2.941 20 0 DFADHM CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000736424265 598414147 /nfs/dbraw/zinc/41/41/47/598414147.db2.gz PJLHXLKMQNZMMZ-MNOVXSKESA-N -1 3 319.434 2.652 20 0 DFADHM CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000736424265 598414148 /nfs/dbraw/zinc/41/41/48/598414148.db2.gz PJLHXLKMQNZMMZ-MNOVXSKESA-N -1 3 319.434 2.652 20 0 DFADHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737194366 598421297 /nfs/dbraw/zinc/42/12/97/598421297.db2.gz JDTNGUADVQOTHD-ZDUSSCGKSA-N -1 3 321.384 2.677 20 0 DFADHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737194366 598421298 /nfs/dbraw/zinc/42/12/98/598421298.db2.gz JDTNGUADVQOTHD-ZDUSSCGKSA-N -1 3 321.384 2.677 20 0 DFADHM Cc1cc(NC2CCC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737273860 598427620 /nfs/dbraw/zinc/42/76/20/598427620.db2.gz INFJTOGIFPDCRA-UHFFFAOYSA-N -1 3 319.372 2.940 20 0 DFADHM Cc1cc(NC2CCC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737273860 598427622 /nfs/dbraw/zinc/42/76/22/598427622.db2.gz INFJTOGIFPDCRA-UHFFFAOYSA-N -1 3 319.372 2.940 20 0 DFADHM CC(C)(C)SCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735644164 598457782 /nfs/dbraw/zinc/45/77/82/598457782.db2.gz XNKICGGTTAKODT-UHFFFAOYSA-N -1 3 318.450 2.694 20 0 DFADHM CC(C)(C)SCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735644164 598457783 /nfs/dbraw/zinc/45/77/83/598457783.db2.gz XNKICGGTTAKODT-UHFFFAOYSA-N -1 3 318.450 2.694 20 0 DFADHM CC(C)Oc1cccc(OC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735914725 598485819 /nfs/dbraw/zinc/48/58/19/598485819.db2.gz ZDNOLIRMJLHZOH-UHFFFAOYSA-N -1 3 324.340 2.873 20 0 DFADHM CC(C)Oc1cccc(OC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735914725 598485820 /nfs/dbraw/zinc/48/58/20/598485820.db2.gz ZDNOLIRMJLHZOH-UHFFFAOYSA-N -1 3 324.340 2.873 20 0 DFADHM C[C@H](OC(=O)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736160904 598490487 /nfs/dbraw/zinc/49/04/87/598490487.db2.gz ACXNQEDKIMVPTE-JTQLQIEISA-N -1 3 312.304 2.924 20 0 DFADHM C[C@H](OC(=O)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736160904 598490489 /nfs/dbraw/zinc/49/04/89/598490489.db2.gz ACXNQEDKIMVPTE-JTQLQIEISA-N -1 3 312.304 2.924 20 0 DFADHM CCOCCCC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736611315 598515259 /nfs/dbraw/zinc/51/52/59/598515259.db2.gz PDEZKWAWIFCIEI-UHFFFAOYSA-N -1 3 323.422 2.554 20 0 DFADHM CCOCCCC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736611315 598515261 /nfs/dbraw/zinc/51/52/61/598515261.db2.gz PDEZKWAWIFCIEI-UHFFFAOYSA-N -1 3 323.422 2.554 20 0 DFADHM CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736349632 598517885 /nfs/dbraw/zinc/51/78/85/598517885.db2.gz HYOAJTKCCHBITK-MRXNPFEDSA-N -1 3 321.384 2.618 20 0 DFADHM CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736349632 598517886 /nfs/dbraw/zinc/51/78/86/598517886.db2.gz HYOAJTKCCHBITK-MRXNPFEDSA-N -1 3 321.384 2.618 20 0 DFADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736441111 598519650 /nfs/dbraw/zinc/51/96/50/598519650.db2.gz NLXPRTQHEMPHQH-WFASDCNBSA-N -1 3 313.405 2.955 20 0 DFADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736441111 598519652 /nfs/dbraw/zinc/51/96/52/598519652.db2.gz NLXPRTQHEMPHQH-WFASDCNBSA-N -1 3 313.405 2.955 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1F ZINC000738249958 598530952 /nfs/dbraw/zinc/53/09/52/598530952.db2.gz AIZVTGJXLNHOAM-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1F ZINC000738249958 598530953 /nfs/dbraw/zinc/53/09/53/598530953.db2.gz AIZVTGJXLNHOAM-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM CC[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736400931 598534356 /nfs/dbraw/zinc/53/43/56/598534356.db2.gz FCULQTREQDYFFP-BXUZGUMPSA-N -1 3 314.393 2.512 20 0 DFADHM CC[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736400931 598534358 /nfs/dbraw/zinc/53/43/58/598534358.db2.gz FCULQTREQDYFFP-BXUZGUMPSA-N -1 3 314.393 2.512 20 0 DFADHM Cc1ncsc1CN(C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737502691 598538209 /nfs/dbraw/zinc/53/82/09/598538209.db2.gz IEGCFDJJKQABLB-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ncsc1CN(C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737502691 598538211 /nfs/dbraw/zinc/53/82/11/598538211.db2.gz IEGCFDJJKQABLB-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1noc2c1CCCC2 ZINC000737297091 598538299 /nfs/dbraw/zinc/53/82/99/598538299.db2.gz UCHJEAXWRBVIJU-UHFFFAOYSA-N -1 3 310.361 2.654 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1noc2c1CCCC2 ZINC000737297091 598538300 /nfs/dbraw/zinc/53/83/00/598538300.db2.gz UCHJEAXWRBVIJU-UHFFFAOYSA-N -1 3 310.361 2.654 20 0 DFADHM CC=CC=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736303983 598545380 /nfs/dbraw/zinc/54/53/80/598545380.db2.gz MQTUVZVVAPQQNG-MQQKCMAXSA-N -1 3 321.287 2.539 20 0 DFADHM CC=CC=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736303983 598545381 /nfs/dbraw/zinc/54/53/81/598545381.db2.gz MQTUVZVVAPQQNG-MQQKCMAXSA-N -1 3 321.287 2.539 20 0 DFADHM Cc1ccccc1[C@H](C)Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000737421112 598566659 /nfs/dbraw/zinc/56/66/59/598566659.db2.gz KGSHMFLRXZIEFI-LBPRGKRZSA-N -1 3 319.372 2.996 20 0 DFADHM Cc1ccccc1[C@H](C)Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000737421112 598566660 /nfs/dbraw/zinc/56/66/60/598566660.db2.gz KGSHMFLRXZIEFI-LBPRGKRZSA-N -1 3 319.372 2.996 20 0 DFADHM COCCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736981988 598575136 /nfs/dbraw/zinc/57/51/36/598575136.db2.gz OYEXKOYNMKMZKS-UHFFFAOYSA-N -1 3 315.299 2.724 20 0 DFADHM COCCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736981988 598575137 /nfs/dbraw/zinc/57/51/37/598575137.db2.gz OYEXKOYNMKMZKS-UHFFFAOYSA-N -1 3 315.299 2.724 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000738166598 598584547 /nfs/dbraw/zinc/58/45/47/598584547.db2.gz KLNSXLDRORINIX-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC000738166598 598584546 /nfs/dbraw/zinc/58/45/46/598584546.db2.gz KLNSXLDRORINIX-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM Cc1c(NC(=O)C(F)=C2CCCC2)cccc1-c1nnn[n-]1 ZINC000822059583 607361081 /nfs/dbraw/zinc/36/10/81/607361081.db2.gz DAXPZGVPRBHNDN-UHFFFAOYSA-N -1 3 301.325 2.911 20 0 DFADHM Cc1c(NC(=O)C(F)=C2CCCC2)cccc1-c1nn[n-]n1 ZINC000822059583 607361083 /nfs/dbraw/zinc/36/10/83/607361083.db2.gz DAXPZGVPRBHNDN-UHFFFAOYSA-N -1 3 301.325 2.911 20 0 DFADHM CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736400825 598631988 /nfs/dbraw/zinc/63/19/88/598631988.db2.gz CRIDNNTWPJJFFF-JTQLQIEISA-N -1 3 318.356 2.660 20 0 DFADHM CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736400825 598631990 /nfs/dbraw/zinc/63/19/90/598631990.db2.gz CRIDNNTWPJJFFF-JTQLQIEISA-N -1 3 318.356 2.660 20 0 DFADHM Fc1ccc(N2CCc3sccc3C2)c(-c2nnn[n-]2)c1 ZINC000737659696 598632498 /nfs/dbraw/zinc/63/24/98/598632498.db2.gz MKKNKJHEMWMMON-UHFFFAOYSA-N -1 3 301.350 2.630 20 0 DFADHM Fc1ccc(N2CCc3sccc3C2)c(-c2nn[n-]n2)c1 ZINC000737659696 598632500 /nfs/dbraw/zinc/63/25/00/598632500.db2.gz MKKNKJHEMWMMON-UHFFFAOYSA-N -1 3 301.350 2.630 20 0 DFADHM FC(F)(F)COCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737627239 598639731 /nfs/dbraw/zinc/63/97/31/598639731.db2.gz NGKWDLYWYHMCGN-UHFFFAOYSA-N -1 3 321.690 2.511 20 0 DFADHM FC(F)(F)COCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737627239 598639733 /nfs/dbraw/zinc/63/97/33/598639733.db2.gz NGKWDLYWYHMCGN-UHFFFAOYSA-N -1 3 321.690 2.511 20 0 DFADHM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000735499279 598645296 /nfs/dbraw/zinc/64/52/96/598645296.db2.gz NSELTSIAGOHNQC-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000735499279 598645297 /nfs/dbraw/zinc/64/52/97/598645297.db2.gz NSELTSIAGOHNQC-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1ccccc1 ZINC000737949016 598646058 /nfs/dbraw/zinc/64/60/58/598646058.db2.gz VKVNPGHSJNQRML-UHFFFAOYSA-N -1 3 312.354 2.564 20 0 DFADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1 ZINC000737949016 598646059 /nfs/dbraw/zinc/64/60/59/598646059.db2.gz VKVNPGHSJNQRML-UHFFFAOYSA-N -1 3 312.354 2.564 20 0 DFADHM C[C@H](Nc1ccnc(C2CC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136551 598649565 /nfs/dbraw/zinc/64/95/65/598649565.db2.gz GLIFUUKMWBNTRH-JTQLQIEISA-N -1 3 307.361 2.707 20 0 DFADHM C[C@H](Nc1ccnc(C2CC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136551 598649568 /nfs/dbraw/zinc/64/95/68/598649568.db2.gz GLIFUUKMWBNTRH-JTQLQIEISA-N -1 3 307.361 2.707 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CC[C@H](c2ccco2)C1 ZINC000737639410 598677015 /nfs/dbraw/zinc/67/70/15/598677015.db2.gz QPPSOUVBIINADQ-VIFPVBQESA-N -1 3 317.299 2.732 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CC[C@H](c2ccco2)C1 ZINC000737639410 598677017 /nfs/dbraw/zinc/67/70/17/598677017.db2.gz QPPSOUVBIINADQ-VIFPVBQESA-N -1 3 317.299 2.732 20 0 DFADHM C[C@@H]1Cc2ccccc2N1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736298494 598677358 /nfs/dbraw/zinc/67/73/58/598677358.db2.gz QMOGCIFXWUCROZ-LLVKDONJSA-N -1 3 309.348 2.957 20 0 DFADHM C[C@@H]1Cc2ccccc2N1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736298494 598677360 /nfs/dbraw/zinc/67/73/60/598677360.db2.gz QMOGCIFXWUCROZ-LLVKDONJSA-N -1 3 309.348 2.957 20 0 DFADHM CC[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H](C)O1 ZINC000736409660 598678243 /nfs/dbraw/zinc/67/82/43/598678243.db2.gz WYOJVRJIMZOQBV-ONGXEEELSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H](C)O1 ZINC000736409660 598678245 /nfs/dbraw/zinc/67/82/45/598678245.db2.gz WYOJVRJIMZOQBV-ONGXEEELSA-N -1 3 307.785 2.524 20 0 DFADHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(C)o1 ZINC000737243724 598701958 /nfs/dbraw/zinc/70/19/58/598701958.db2.gz VSAPDXZVPSFDSB-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(C)o1 ZINC000737243724 598701960 /nfs/dbraw/zinc/70/19/60/598701960.db2.gz VSAPDXZVPSFDSB-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737384686 598703125 /nfs/dbraw/zinc/70/31/25/598703125.db2.gz MTNUBLSBFNQMCH-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737384686 598703127 /nfs/dbraw/zinc/70/31/27/598703127.db2.gz MTNUBLSBFNQMCH-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736323701 598716983 /nfs/dbraw/zinc/71/69/83/598716983.db2.gz XZZZKUBKPJAZES-NEPJUHHUSA-N -1 3 316.409 2.615 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736323701 598716984 /nfs/dbraw/zinc/71/69/84/598716984.db2.gz XZZZKUBKPJAZES-NEPJUHHUSA-N -1 3 316.409 2.615 20 0 DFADHM C/C=C/COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736304005 598725809 /nfs/dbraw/zinc/72/58/09/598725809.db2.gz MYIDCEQTZJKKFD-NSCUHMNNSA-N -1 3 316.361 2.535 20 0 DFADHM C/C=C/COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736304005 598725811 /nfs/dbraw/zinc/72/58/11/598725811.db2.gz MYIDCEQTZJKKFD-NSCUHMNNSA-N -1 3 316.361 2.535 20 0 DFADHM CN(Cc1ccccn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736829213 598746120 /nfs/dbraw/zinc/74/61/20/598746120.db2.gz WYSXBFQDPFKBEO-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1ccccn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736829213 598746121 /nfs/dbraw/zinc/74/61/21/598746121.db2.gz WYSXBFQDPFKBEO-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735752082 598749397 /nfs/dbraw/zinc/74/93/97/598749397.db2.gz XGMXRBOAMJJEGF-HUUCEWRRSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735752082 598749398 /nfs/dbraw/zinc/74/93/98/598749398.db2.gz XGMXRBOAMJJEGF-HUUCEWRRSA-N -1 3 313.405 2.811 20 0 DFADHM Cc1nnc(N[C@@H]2CCC[C@@H](C(C)C)C2)c(-c2nnn[n-]2)c1C ZINC000737522681 598757843 /nfs/dbraw/zinc/75/78/43/598757843.db2.gz WOQJYLQUHKOQMC-CHWSQXEVSA-N -1 3 315.425 2.900 20 0 DFADHM Cc1nnc(N[C@@H]2CCC[C@@H](C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000737522681 598757845 /nfs/dbraw/zinc/75/78/45/598757845.db2.gz WOQJYLQUHKOQMC-CHWSQXEVSA-N -1 3 315.425 2.900 20 0 DFADHM CCN(CC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736535581 598760428 /nfs/dbraw/zinc/76/04/28/598760428.db2.gz VRSNYDYWXNLNMC-UHFFFAOYSA-N -1 3 320.784 2.784 20 0 DFADHM CCN(CC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736535581 598760429 /nfs/dbraw/zinc/76/04/29/598760429.db2.gz VRSNYDYWXNLNMC-UHFFFAOYSA-N -1 3 320.784 2.784 20 0 DFADHM CCCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736461061 598768991 /nfs/dbraw/zinc/76/89/91/598768991.db2.gz NMLWXTUUKDUKKH-UHFFFAOYSA-N -1 3 304.304 2.905 20 0 DFADHM CCCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736461061 598768992 /nfs/dbraw/zinc/76/89/92/598768992.db2.gz NMLWXTUUKDUKKH-UHFFFAOYSA-N -1 3 304.304 2.905 20 0 DFADHM CC(C)C[C@@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735762593 598784752 /nfs/dbraw/zinc/78/47/52/598784752.db2.gz YOCFGOGDOIOCKM-GFCCVEGCSA-N -1 3 302.378 2.777 20 0 DFADHM CC(C)C[C@@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735762593 598784754 /nfs/dbraw/zinc/78/47/54/598784754.db2.gz YOCFGOGDOIOCKM-GFCCVEGCSA-N -1 3 302.378 2.777 20 0 DFADHM CC(C)C[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735760896 598785108 /nfs/dbraw/zinc/78/51/08/598785108.db2.gz JSHQURDIMKDAEA-NEPJUHHUSA-N -1 3 318.377 2.612 20 0 DFADHM CC(C)C[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735760896 598785110 /nfs/dbraw/zinc/78/51/10/598785110.db2.gz JSHQURDIMKDAEA-NEPJUHHUSA-N -1 3 318.377 2.612 20 0 DFADHM Fc1ccc(F)c(OCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737658615 598789443 /nfs/dbraw/zinc/78/94/43/598789443.db2.gz DXRDPAWOAHKRJK-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Cc1nc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000737470932 598791783 /nfs/dbraw/zinc/79/17/83/598791783.db2.gz DNRRDVVKRLDPCA-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1nc(CCNc2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000737470932 598791784 /nfs/dbraw/zinc/79/17/84/598791784.db2.gz DNRRDVVKRLDPCA-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCc3c(C)cccc3C2)n1 ZINC000737245768 598797530 /nfs/dbraw/zinc/79/75/30/598797530.db2.gz OIODQWDVYOWNBK-UHFFFAOYSA-N -1 3 320.400 2.750 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCc3c(C)cccc3C2)n1 ZINC000737245768 598797531 /nfs/dbraw/zinc/79/75/31/598797531.db2.gz OIODQWDVYOWNBK-UHFFFAOYSA-N -1 3 320.400 2.750 20 0 DFADHM Cc1ncsc1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737503553 598798262 /nfs/dbraw/zinc/79/82/62/598798262.db2.gz NTWYVHDSWUPPTN-UHFFFAOYSA-N -1 3 308.317 2.522 20 0 DFADHM Cc1ncsc1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737503553 598798263 /nfs/dbraw/zinc/79/82/63/598798263.db2.gz NTWYVHDSWUPPTN-UHFFFAOYSA-N -1 3 308.317 2.522 20 0 DFADHM O=C(NC/C=C\c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738052588 598799107 /nfs/dbraw/zinc/79/91/07/598799107.db2.gz UEGRPXPWMVKLPA-DAXSKMNVSA-N -1 3 320.356 2.702 20 0 DFADHM O=C(NC/C=C\c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738052588 598799108 /nfs/dbraw/zinc/79/91/08/598799108.db2.gz UEGRPXPWMVKLPA-DAXSKMNVSA-N -1 3 320.356 2.702 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC(C)(C)C1 ZINC000737290216 598800578 /nfs/dbraw/zinc/80/05/78/598800578.db2.gz DDNVPLYOIDMFIX-UHFFFAOYSA-N -1 3 314.393 2.829 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC(C)(C)C1 ZINC000737290216 598800580 /nfs/dbraw/zinc/80/05/80/598800580.db2.gz DDNVPLYOIDMFIX-UHFFFAOYSA-N -1 3 314.393 2.829 20 0 DFADHM CCN(CCC(F)(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC000736538159 598816517 /nfs/dbraw/zinc/81/65/17/598816517.db2.gz VPCMTPNNEWWJOF-UHFFFAOYSA-N -1 3 303.263 2.785 20 0 DFADHM CCN(CCC(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC000736538159 598816519 /nfs/dbraw/zinc/81/65/19/598816519.db2.gz VPCMTPNNEWWJOF-UHFFFAOYSA-N -1 3 303.263 2.785 20 0 DFADHM CN(C(=O)C=Cc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736732650 599304661 /nfs/dbraw/zinc/30/46/61/599304661.db2.gz NEKZMAZVPCPZMW-CMDGGOBGSA-N -1 3 311.370 2.604 20 0 DFADHM CN(C(=O)C=Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736732650 599304663 /nfs/dbraw/zinc/30/46/63/599304663.db2.gz NEKZMAZVPCPZMW-CMDGGOBGSA-N -1 3 311.370 2.604 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000735597456 599304762 /nfs/dbraw/zinc/30/47/62/599304762.db2.gz PASTXVWZEQZUTA-BXUZGUMPSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000735597456 599304764 /nfs/dbraw/zinc/30/47/64/599304764.db2.gz PASTXVWZEQZUTA-BXUZGUMPSA-N -1 3 316.409 2.515 20 0 DFADHM CC[C@@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736327650 599328353 /nfs/dbraw/zinc/32/83/53/599328353.db2.gz RSOAWFNVSRWDHL-MNOVXSKESA-N -1 3 319.434 2.576 20 0 DFADHM CC[C@@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736327650 599328356 /nfs/dbraw/zinc/32/83/56/599328356.db2.gz RSOAWFNVSRWDHL-MNOVXSKESA-N -1 3 319.434 2.576 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCc1cccc(Cl)n1 ZINC000821702283 599342598 /nfs/dbraw/zinc/34/25/98/599342598.db2.gz OHPOWMAYVRYMGU-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCc1cccc(Cl)n1 ZINC000821702283 599342599 /nfs/dbraw/zinc/34/25/99/599342599.db2.gz OHPOWMAYVRYMGU-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736241296 599383647 /nfs/dbraw/zinc/38/36/47/599383647.db2.gz WWESWDUVKPNLBK-CKYFFXLPSA-N -1 3 317.418 2.721 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736241296 599383649 /nfs/dbraw/zinc/38/36/49/599383649.db2.gz WWESWDUVKPNLBK-CKYFFXLPSA-N -1 3 317.418 2.721 20 0 DFADHM Cc1nc(C)c(COc2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000822431771 599384928 /nfs/dbraw/zinc/38/49/28/599384928.db2.gz IYCNHWRSGZFRAV-UHFFFAOYSA-N -1 3 301.375 2.827 20 0 DFADHM CCCCCCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821056426 599401988 /nfs/dbraw/zinc/40/19/88/599401988.db2.gz RGTVBLLMCDYIHK-GFCCVEGCSA-N -1 3 316.409 2.807 20 0 DFADHM CCCCCCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821056426 599401990 /nfs/dbraw/zinc/40/19/90/599401990.db2.gz RGTVBLLMCDYIHK-GFCCVEGCSA-N -1 3 316.409 2.807 20 0 DFADHM CC[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000736405254 599435803 /nfs/dbraw/zinc/43/58/03/599435803.db2.gz FDPUHQJWVDAKKB-MWLCHTKSSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000736405254 599435804 /nfs/dbraw/zinc/43/58/04/599435804.db2.gz FDPUHQJWVDAKKB-MWLCHTKSSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@H](C)[C@@](C)(O)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736326659 599436334 /nfs/dbraw/zinc/43/63/34/599436334.db2.gz CFPHWVWOMCMJCN-XPTSAGLGSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@H](C)[C@@](C)(O)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736326659 599436337 /nfs/dbraw/zinc/43/63/37/599436337.db2.gz CFPHWVWOMCMJCN-XPTSAGLGSA-N -1 3 309.801 2.729 20 0 DFADHM Cc1ccc2nc(CNc3ccc(F)cc3-c3nnn[n-]3)cn2c1 ZINC000822280854 599488376 /nfs/dbraw/zinc/48/83/76/599488376.db2.gz ZIINYZZNDPGGSW-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1ccc2nc(CNc3ccc(F)cc3-c3nn[n-]n3)cn2c1 ZINC000822280854 599488379 /nfs/dbraw/zinc/48/83/79/599488379.db2.gz ZIINYZZNDPGGSW-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM CN(Cc1ccoc1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821615603 599490086 /nfs/dbraw/zinc/49/00/86/599490086.db2.gz FDULTJCURUIPNJ-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CN(Cc1ccoc1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821615603 599490089 /nfs/dbraw/zinc/49/00/89/599490089.db2.gz FDULTJCURUIPNJ-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM COCCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736981530 599521124 /nfs/dbraw/zinc/52/11/24/599521124.db2.gz LVSXUMVUWNRORB-UHFFFAOYSA-N -1 3 315.299 2.724 20 0 DFADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000736189983 599521474 /nfs/dbraw/zinc/52/14/74/599521474.db2.gz DPPDXQASDJNNEE-VIFPVBQESA-N -1 3 306.391 2.689 20 0 DFADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000736189983 599521476 /nfs/dbraw/zinc/52/14/76/599521476.db2.gz DPPDXQASDJNNEE-VIFPVBQESA-N -1 3 306.391 2.689 20 0 DFADHM O[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)C1CCCCC1 ZINC000823689305 599523006 /nfs/dbraw/zinc/52/30/06/599523006.db2.gz DGUZZFWQWJEGOH-ZDUSSCGKSA-N -1 3 321.812 2.873 20 0 DFADHM O[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)C1CCCCC1 ZINC000823689305 599523009 /nfs/dbraw/zinc/52/30/09/599523009.db2.gz DGUZZFWQWJEGOH-ZDUSSCGKSA-N -1 3 321.812 2.873 20 0 DFADHM CCc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821477075 599526612 /nfs/dbraw/zinc/52/66/12/599526612.db2.gz XLEGAWOAZHBGTL-GFCCVEGCSA-N -1 3 321.384 2.920 20 0 DFADHM CCc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821477075 599526614 /nfs/dbraw/zinc/52/66/14/599526614.db2.gz XLEGAWOAZHBGTL-GFCCVEGCSA-N -1 3 321.384 2.920 20 0 DFADHM C[C@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000735513401 599542933 /nfs/dbraw/zinc/54/29/33/599542933.db2.gz NBFUNAIOECEOOL-JTQLQIEISA-N -1 3 313.386 2.695 20 0 DFADHM C[C@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000735513401 599542934 /nfs/dbraw/zinc/54/29/34/599542934.db2.gz NBFUNAIOECEOOL-JTQLQIEISA-N -1 3 313.386 2.695 20 0 DFADHM Fc1ccc(N2CCCc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000822778102 599545368 /nfs/dbraw/zinc/54/53/68/599545368.db2.gz DBGGJEYIZBCCJX-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM Fc1ccc(N2CCCc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000822778102 599545372 /nfs/dbraw/zinc/54/53/72/599545372.db2.gz DBGGJEYIZBCCJX-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM C[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000820709137 599549862 /nfs/dbraw/zinc/54/98/62/599549862.db2.gz DPLBMAIAEYZBOZ-QWRGUYRKSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000820709137 599549864 /nfs/dbraw/zinc/54/98/64/599549864.db2.gz DPLBMAIAEYZBOZ-QWRGUYRKSA-N -1 3 300.366 2.519 20 0 DFADHM Cc1ccc([C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737320466 599551194 /nfs/dbraw/zinc/55/11/94/599551194.db2.gz KUIVXKJKFOBAOK-CYBMUJFWSA-N -1 3 321.384 2.709 20 0 DFADHM Cc1ccc([C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737320466 599551197 /nfs/dbraw/zinc/55/11/97/599551197.db2.gz KUIVXKJKFOBAOK-CYBMUJFWSA-N -1 3 321.384 2.709 20 0 DFADHM CC[C@H](C)[C@](C)(O)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820859648 599552246 /nfs/dbraw/zinc/55/22/46/599552246.db2.gz GGTCHKZKULYELC-LKFCYVNXSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@H](C)[C@](C)(O)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820859648 599552247 /nfs/dbraw/zinc/55/22/47/599552247.db2.gz GGTCHKZKULYELC-LKFCYVNXSA-N -1 3 309.801 2.729 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1C2CCCC1CCC2 ZINC000823308607 599553988 /nfs/dbraw/zinc/55/39/88/599553988.db2.gz GTILDLRVFGKRLN-UHFFFAOYSA-N -1 3 312.377 2.806 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1C2CCCC1CCC2 ZINC000823308607 599553992 /nfs/dbraw/zinc/55/39/92/599553992.db2.gz GTILDLRVFGKRLN-UHFFFAOYSA-N -1 3 312.377 2.806 20 0 DFADHM CS[C@H]1CCCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821956254 607385766 /nfs/dbraw/zinc/38/57/66/607385766.db2.gz KXMMHCZBZGOAHT-NSHDSACASA-N -1 3 307.398 2.728 20 0 DFADHM CS[C@H]1CCCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821956254 607385767 /nfs/dbraw/zinc/38/57/67/607385767.db2.gz KXMMHCZBZGOAHT-NSHDSACASA-N -1 3 307.398 2.728 20 0 DFADHM CC[C@@H](C)OC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736328462 599605226 /nfs/dbraw/zinc/60/52/26/599605226.db2.gz XDROCVYPWMKTTJ-BXUZGUMPSA-N -1 3 318.377 2.612 20 0 DFADHM CC[C@@H](C)OC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736328462 599605227 /nfs/dbraw/zinc/60/52/27/599605227.db2.gz XDROCVYPWMKTTJ-BXUZGUMPSA-N -1 3 318.377 2.612 20 0 DFADHM C[C@@H](c1cccs1)[S@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736202673 599618693 /nfs/dbraw/zinc/61/86/93/599618693.db2.gz JIHNQPGTZJWJPG-CHNSCGDPSA-N -1 3 318.427 2.938 20 0 DFADHM C[C@@H](c1cccs1)[S@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736202673 599618695 /nfs/dbraw/zinc/61/86/95/599618695.db2.gz JIHNQPGTZJWJPG-CHNSCGDPSA-N -1 3 318.427 2.938 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2ccccc2-c2nnn[n-]2)C1 ZINC000820691401 599620504 /nfs/dbraw/zinc/62/05/04/599620504.db2.gz XAVDIRCDQVBEKE-NEPJUHHUSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2ccccc2-c2nn[n-]n2)C1 ZINC000820691401 599620505 /nfs/dbraw/zinc/62/05/05/599620505.db2.gz XAVDIRCDQVBEKE-NEPJUHHUSA-N -1 3 300.362 2.736 20 0 DFADHM CCC(C)(C)CCOC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820847412 599627750 /nfs/dbraw/zinc/62/77/50/599627750.db2.gz FBXWXRNTZYJEBR-UHFFFAOYSA-N -1 3 302.378 2.779 20 0 DFADHM CCC(C)(C)CCOC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820847412 599627751 /nfs/dbraw/zinc/62/77/51/599627751.db2.gz FBXWXRNTZYJEBR-UHFFFAOYSA-N -1 3 302.378 2.779 20 0 DFADHM O=C(OCCCC1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823401148 599648485 /nfs/dbraw/zinc/64/84/85/599648485.db2.gz QHOZDZCFDZAWOV-UHFFFAOYSA-N -1 3 300.362 2.994 20 0 DFADHM O=C(OCCCC1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823401148 599648486 /nfs/dbraw/zinc/64/84/86/599648486.db2.gz QHOZDZCFDZAWOV-UHFFFAOYSA-N -1 3 300.362 2.994 20 0 DFADHM CCC(C)(C)CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820847936 599673200 /nfs/dbraw/zinc/67/32/00/599673200.db2.gz NEUHTBUZMKDZTN-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM C[C@H](NC(=O)NC1(C)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357352 599673673 /nfs/dbraw/zinc/67/36/73/599673673.db2.gz GPAJGDGBTCNZSY-NSHDSACASA-N -1 3 314.393 2.560 20 0 DFADHM C[C@H](NC(=O)NC1(C)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357352 599673674 /nfs/dbraw/zinc/67/36/74/599673674.db2.gz GPAJGDGBTCNZSY-NSHDSACASA-N -1 3 314.393 2.560 20 0 DFADHM CO[C@@]1(C)C[C@@H](Nc2ccc(F)cc2-c2nnn[n-]2)C1(C)C ZINC000821677667 599688443 /nfs/dbraw/zinc/68/84/43/599688443.db2.gz BSSJYJKNQREBKB-DOMZBBRYSA-N -1 3 305.357 2.621 20 0 DFADHM CO[C@@]1(C)C[C@@H](Nc2ccc(F)cc2-c2nn[n-]n2)C1(C)C ZINC000821677667 599688444 /nfs/dbraw/zinc/68/84/44/599688444.db2.gz BSSJYJKNQREBKB-DOMZBBRYSA-N -1 3 305.357 2.621 20 0 DFADHM CO[C@@]1(C)C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000821679043 599688598 /nfs/dbraw/zinc/68/85/98/599688598.db2.gz WJCJAQJTTPGPNB-NHYWBVRUSA-N -1 3 305.357 2.621 20 0 DFADHM CO[C@@]1(C)C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000821679043 599688599 /nfs/dbraw/zinc/68/85/99/599688599.db2.gz WJCJAQJTTPGPNB-NHYWBVRUSA-N -1 3 305.357 2.621 20 0 DFADHM CCC1(CNc2ccc(F)cc2-c2nnn[n-]2)CCOCC1 ZINC000820962668 599689011 /nfs/dbraw/zinc/68/90/11/599689011.db2.gz XZYNYKNHPOTDIC-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM CCC1(CNc2ccc(F)cc2-c2nn[n-]n2)CCOCC1 ZINC000820962668 599689012 /nfs/dbraw/zinc/68/90/12/599689012.db2.gz XZYNYKNHPOTDIC-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820967916 599693344 /nfs/dbraw/zinc/69/33/44/599693344.db2.gz YNJBWMBDLHNHSI-MWLCHTKSSA-N -1 3 318.356 2.658 20 0 DFADHM 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Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000826243698 607660411 /nfs/dbraw/zinc/66/04/11/607660411.db2.gz RUUMMWXLQNKNEU-ABAIWWIYSA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000826243698 607660412 /nfs/dbraw/zinc/66/04/12/607660412.db2.gz RUUMMWXLQNKNEU-ABAIWWIYSA-N -1 3 313.405 2.826 20 0 DFADHM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C)c1 ZINC000826288758 607660728 /nfs/dbraw/zinc/66/07/28/607660728.db2.gz VKLSTXVPZNEGMA-UHFFFAOYSA-N -1 3 321.384 2.722 20 0 DFADHM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC000826288758 607660730 /nfs/dbraw/zinc/66/07/30/607660730.db2.gz VKLSTXVPZNEGMA-UHFFFAOYSA-N -1 3 321.384 2.722 20 0 DFADHM Cc1cccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826297773 607660967 /nfs/dbraw/zinc/66/09/67/607660967.db2.gz RMUZOYJEJUHOJS-UHFFFAOYSA-N -1 3 321.384 2.756 20 0 DFADHM Cc1cccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826297773 607660970 /nfs/dbraw/zinc/66/09/70/607660970.db2.gz RMUZOYJEJUHOJS-UHFFFAOYSA-N -1 3 321.384 2.756 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H]1c1ccccc1 ZINC000826244876 607663164 /nfs/dbraw/zinc/66/31/64/607663164.db2.gz GGAPRODGWYGQLP-MRXNPFEDSA-N -1 3 319.368 2.762 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H]1c1ccccc1 ZINC000826244876 607663166 /nfs/dbraw/zinc/66/31/66/607663166.db2.gz GGAPRODGWYGQLP-MRXNPFEDSA-N -1 3 319.368 2.762 20 0 DFADHM Fc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)n1 ZINC000826376850 607681969 /nfs/dbraw/zinc/68/19/69/607681969.db2.gz VNACXIMRUBBUGA-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)n1 ZINC000826376850 607681971 /nfs/dbraw/zinc/68/19/71/607681971.db2.gz VNACXIMRUBBUGA-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000830838946 604329720 /nfs/dbraw/zinc/32/97/20/604329720.db2.gz CAKLYSPVFPBYFK-YPMHNXCESA-N -1 3 308.426 2.740 20 0 DFADHM C[C@@](CNC(=O)[O-])(NCc1cc(-c2ccccc2)no1)C1CC1 ZINC000824952952 604341092 /nfs/dbraw/zinc/34/10/92/604341092.db2.gz RSZKIUDIZQGGQV-KRWDZBQOSA-N -1 3 315.373 2.868 20 0 DFADHM CCOC(=O)[C@@H]1CCCN(Cc2cc(C(=O)[O-])sc2C)C1 ZINC000829832975 604356868 /nfs/dbraw/zinc/35/68/68/604356868.db2.gz UGWAMSXEICZAKZ-LLVKDONJSA-N -1 3 311.403 2.530 20 0 DFADHM CC[C@](C)(CC(=O)[O-])NCc1cc(O)ccc1Br ZINC000828665692 604419656 /nfs/dbraw/zinc/41/96/56/604419656.db2.gz WSXOFGRSJKLDJF-CYBMUJFWSA-N -1 3 316.195 2.888 20 0 DFADHM O=C([O-])[C@@H]1CC12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000833771382 604648328 /nfs/dbraw/zinc/64/83/28/604648328.db2.gz CSHIMVVYLAIICK-HNNXBMFYSA-N -1 3 311.385 2.763 20 0 DFADHM COc1ccc2oc(CN(CC(=O)[O-])C3CCOCC3)cc2c1 ZINC000833734985 604672689 /nfs/dbraw/zinc/67/26/89/604672689.db2.gz OWNVJRFMFRJYMN-UHFFFAOYSA-N -1 3 319.357 2.507 20 0 DFADHM Cc1cc(F)cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826268052 607710895 /nfs/dbraw/zinc/71/08/95/607710895.db2.gz IBPWSAAUFGGBEX-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cc(F)cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826268052 607710897 /nfs/dbraw/zinc/71/08/97/607710897.db2.gz IBPWSAAUFGGBEX-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM C[C@@]1(NCc2nc(-c3cccs3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833569593 604820868 /nfs/dbraw/zinc/82/08/68/604820868.db2.gz OBIJJAORCAYWKF-ZUZCIYMTSA-N -1 3 321.402 2.921 20 0 DFADHM CN1CC[C@@H](NC(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000820620923 604858584 /nfs/dbraw/zinc/85/85/84/604858584.db2.gz WRRHTSRZTSVMPQ-SJORKVTESA-N -1 3 324.380 2.560 20 0 DFADHM CC(C)C[C@H]1CC(=O)N(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000833479911 604864983 /nfs/dbraw/zinc/86/49/83/604864983.db2.gz LOFSPGDDZGBXQH-LSDHHAIUSA-N -1 3 324.465 2.661 20 0 DFADHM O=C([O-])[C@H](NCc1ccc(OC(F)F)cc1)c1cccnc1 ZINC000833169445 604988579 /nfs/dbraw/zinc/98/85/79/604988579.db2.gz IXEJYTFEHZYCAO-CYBMUJFWSA-N -1 3 308.284 2.599 20 0 DFADHM CCOCCC1(CNc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825589999 607729246 /nfs/dbraw/zinc/72/92/46/607729246.db2.gz MDNXMWWWKCUVPE-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM CCOCCC1(CNc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825589999 607729248 /nfs/dbraw/zinc/72/92/48/607729248.db2.gz MDNXMWWWKCUVPE-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM CC(C)N(CCN(C)C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000833497651 605095566 /nfs/dbraw/zinc/09/55/66/605095566.db2.gz KSCAOHLBDDLACI-UHFFFAOYSA-N -1 3 321.421 2.508 20 0 DFADHM CC[C@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1cnn(C)c1 ZINC000826619386 605118503 /nfs/dbraw/zinc/11/85/03/605118503.db2.gz JSQRUEOENDOLHU-WBMJQRKESA-N -1 3 316.405 2.990 20 0 DFADHM CCc1ccc([C@@H](C)NCC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000833668724 605290418 /nfs/dbraw/zinc/29/04/18/605290418.db2.gz BKOPQMGZPRVOTC-CZUORRHYSA-N -1 3 320.433 2.515 20 0 DFADHM Cc1nc(C)c([C@H](C)N(C)C[C@H]2CC(C(=O)[O-])=C(C)O2)s1 ZINC000833576613 605336357 /nfs/dbraw/zinc/33/63/57/605336357.db2.gz LTXHUVAFPGVITA-JOYOIKCWSA-N -1 3 310.419 2.900 20 0 DFADHM O=C([O-])NCCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000834242868 605430664 /nfs/dbraw/zinc/43/06/64/605430664.db2.gz GVMWQJRNDFHCGJ-OAHLLOKOSA-N -1 3 319.792 2.876 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3ccncc3Cl)C[C@H]21 ZINC000834177811 605452030 /nfs/dbraw/zinc/45/20/30/605452030.db2.gz CRIGVSLBMPIYJM-MPKXVKKWSA-N -1 3 309.797 2.603 20 0 DFADHM COC[C@H](N[C@@H](C)C[C@@H]1CCCN1C(=O)[O-])c1ccc(C)o1 ZINC000828920027 605510023 /nfs/dbraw/zinc/51/00/23/605510023.db2.gz CFHGBKZHPJZRKO-UBHSHLNASA-N -1 3 310.394 2.786 20 0 DFADHM O=C([O-])N[C@@H]1CCN(Cc2ccccc2N2CCCCC2)C1 ZINC000834188753 605568206 /nfs/dbraw/zinc/56/82/06/605568206.db2.gz BTTQEQOEEBIGIB-OAHLLOKOSA-N -1 3 303.406 2.519 20 0 DFADHM CC(C)C[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824229364 607763304 /nfs/dbraw/zinc/76/33/04/607763304.db2.gz PNCSHONNUSRXHP-SECBINFHSA-N -1 3 306.345 2.562 20 0 DFADHM CC(C)C[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824229364 607763305 /nfs/dbraw/zinc/76/33/05/607763305.db2.gz PNCSHONNUSRXHP-SECBINFHSA-N -1 3 306.345 2.562 20 0 DFADHM O=C([O-])NC[C@H]1CCC[C@H]1NCc1coc(-c2cccs2)n1 ZINC000834215095 605591553 /nfs/dbraw/zinc/59/15/53/605591553.db2.gz OVVGSWDJMIQXSI-ZYHUDNBSSA-N -1 3 321.402 2.929 20 0 DFADHM CCOc1cc(CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)ccc1OC ZINC000833862549 605591835 /nfs/dbraw/zinc/59/18/35/605591835.db2.gz ZIUHVRQCBPMHDT-OCCSQVGLSA-N -1 3 322.405 2.572 20 0 DFADHM O=C([O-])NCCN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000834239142 605671876 /nfs/dbraw/zinc/67/18/76/605671876.db2.gz DXJOEPWRFIJDAU-LLVKDONJSA-N -1 3 305.403 2.743 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2C[C@@H](C(F)(F)F)CC[C@H]2C)O1 ZINC000833583231 605702796 /nfs/dbraw/zinc/70/27/96/605702796.db2.gz IOWCJHLICOJUNH-DVVUODLYSA-N -1 3 307.312 2.797 20 0 DFADHM C[C@@H](Nc1nc(C2CC2)ns1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461079 606040353 /nfs/dbraw/zinc/04/03/53/606040353.db2.gz FAFKONNSZRWLPK-MRVPVSSYSA-N -1 3 313.390 2.769 20 0 DFADHM C[C@@H](Nc1nc(C2CC2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461079 606040358 /nfs/dbraw/zinc/04/03/58/606040358.db2.gz FAFKONNSZRWLPK-MRVPVSSYSA-N -1 3 313.390 2.769 20 0 DFADHM c1ccc2c(c1)CCC[C@H]2CNc1ccc(-c2nnn[n-]2)nc1 ZINC000823798253 606041092 /nfs/dbraw/zinc/04/10/92/606041092.db2.gz VSOCBTIRNVLZBF-ZDUSSCGKSA-N -1 3 306.373 2.794 20 0 DFADHM c1ccc2c(c1)CCC[C@H]2CNc1ccc(-c2nn[n-]n2)nc1 ZINC000823798253 606041096 /nfs/dbraw/zinc/04/10/96/606041096.db2.gz VSOCBTIRNVLZBF-ZDUSSCGKSA-N -1 3 306.373 2.794 20 0 DFADHM CCOCCCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821377903 606050769 /nfs/dbraw/zinc/05/07/69/606050769.db2.gz IJLQBPBKLUWTNQ-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM CCOCCCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821377903 606050772 /nfs/dbraw/zinc/05/07/72/606050772.db2.gz IJLQBPBKLUWTNQ-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM Cc1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)n1 ZINC000822303822 606052067 /nfs/dbraw/zinc/05/20/67/606052067.db2.gz KSPYYHYZBDCUAA-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)n1 ZINC000822303822 606052072 /nfs/dbraw/zinc/05/20/72/606052072.db2.gz KSPYYHYZBDCUAA-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822299850 606055541 /nfs/dbraw/zinc/05/55/41/606055541.db2.gz WWVMAAQTWLWGFE-MRXNPFEDSA-N -1 3 306.373 2.912 20 0 DFADHM Cc1cccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822299850 606055543 /nfs/dbraw/zinc/05/55/43/606055543.db2.gz WWVMAAQTWLWGFE-MRXNPFEDSA-N -1 3 306.373 2.912 20 0 DFADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820664784 606089603 /nfs/dbraw/zinc/08/96/03/606089603.db2.gz BXJGDEDNGIDAOD-YPMHNXCESA-N -1 3 324.363 2.783 20 0 DFADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820664784 606089606 /nfs/dbraw/zinc/08/96/06/606089606.db2.gz BXJGDEDNGIDAOD-YPMHNXCESA-N -1 3 324.363 2.783 20 0 DFADHM CCS[C@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821454933 606105797 /nfs/dbraw/zinc/10/57/97/606105797.db2.gz HTDUUYDDCWSALK-AAEUAGOBSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821454933 606105798 /nfs/dbraw/zinc/10/57/98/606105798.db2.gz HTDUUYDDCWSALK-AAEUAGOBSA-N -1 3 304.423 2.738 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000822564105 606105825 /nfs/dbraw/zinc/10/58/25/606105825.db2.gz UEZDEQLENDDIND-NXEZZACHSA-N -1 3 304.785 2.542 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000822564105 606105827 /nfs/dbraw/zinc/10/58/27/606105827.db2.gz UEZDEQLENDDIND-NXEZZACHSA-N -1 3 304.785 2.542 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1C[C@H]2CCCC[C@@H]2C1 ZINC000822737425 606106193 /nfs/dbraw/zinc/10/61/93/606106193.db2.gz VAPYOIQIYXXXOR-NXEZZACHSA-N -1 3 305.332 2.771 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1C[C@H]2CCCC[C@@H]2C1 ZINC000822737425 606106194 /nfs/dbraw/zinc/10/61/94/606106194.db2.gz VAPYOIQIYXXXOR-NXEZZACHSA-N -1 3 305.332 2.771 20 0 DFADHM OCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000823717680 606125532 /nfs/dbraw/zinc/12/55/32/606125532.db2.gz JAGHIIQEVWPJLN-CQSZACIVSA-N -1 3 319.384 2.749 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC000819857982 606126155 /nfs/dbraw/zinc/12/61/55/606126155.db2.gz XDRDPXVRCZCXBR-SNVBAGLBSA-N -1 3 317.368 2.795 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC000819857982 606126156 /nfs/dbraw/zinc/12/61/56/606126156.db2.gz XDRDPXVRCZCXBR-SNVBAGLBSA-N -1 3 317.368 2.795 20 0 DFADHM O=C(CCC1CCC1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822950497 606133224 /nfs/dbraw/zinc/13/32/24/606133224.db2.gz PYFNHLUMZVMDRA-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(CCC1CCC1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822950497 606133225 /nfs/dbraw/zinc/13/32/25/606133225.db2.gz PYFNHLUMZVMDRA-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM Cc1ccc(CCOC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822236060 606142070 /nfs/dbraw/zinc/14/20/70/606142070.db2.gz IFVWYYDILIGUJE-UHFFFAOYSA-N -1 3 322.368 2.504 20 0 DFADHM Cc1ccc(CCOC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822236060 606142071 /nfs/dbraw/zinc/14/20/71/606142071.db2.gz IFVWYYDILIGUJE-UHFFFAOYSA-N -1 3 322.368 2.504 20 0 DFADHM Fc1ccc(F)c(CCNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822774516 606142593 /nfs/dbraw/zinc/14/25/93/606142593.db2.gz LEQLVIKGQRDNPR-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM C[C@H](NC(=O)[C@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820322751 606147521 /nfs/dbraw/zinc/14/75/21/606147521.db2.gz VEOAZIZOJGMDOT-SMDDNHRTSA-N -1 3 311.389 2.624 20 0 DFADHM C[C@H](NC(=O)[C@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820322751 606147522 /nfs/dbraw/zinc/14/75/22/606147522.db2.gz VEOAZIZOJGMDOT-SMDDNHRTSA-N -1 3 311.389 2.624 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CC12CCCC2 ZINC000823331243 606148866 /nfs/dbraw/zinc/14/88/66/606148866.db2.gz DDOIHAZXVQQJJV-LLVKDONJSA-N -1 3 301.325 2.525 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CC12CCCC2 ZINC000823331243 606148867 /nfs/dbraw/zinc/14/88/67/606148867.db2.gz DDOIHAZXVQQJJV-LLVKDONJSA-N -1 3 301.325 2.525 20 0 DFADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C1CCCC1 ZINC000821154108 606151994 /nfs/dbraw/zinc/15/19/94/606151994.db2.gz JPBBNFUIZKUEBG-UHFFFAOYSA-N -1 3 314.393 2.972 20 0 DFADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C1CCCC1 ZINC000821154108 606151995 /nfs/dbraw/zinc/15/19/95/606151995.db2.gz JPBBNFUIZKUEBG-UHFFFAOYSA-N -1 3 314.393 2.972 20 0 DFADHM CC1(C)CCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820590027 606152995 /nfs/dbraw/zinc/15/29/95/606152995.db2.gz OZIKUHHLYMAKPL-LBPRGKRZSA-N -1 3 318.356 2.706 20 0 DFADHM CC1(C)CCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820590027 606152997 /nfs/dbraw/zinc/15/29/97/606152997.db2.gz OZIKUHHLYMAKPL-LBPRGKRZSA-N -1 3 318.356 2.706 20 0 DFADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccc2ccccc2c1 ZINC000822665108 606207843 /nfs/dbraw/zinc/20/78/43/606207843.db2.gz IUDGTBKQQXCUMO-UHFFFAOYSA-N -1 3 319.324 2.578 20 0 DFADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1ccc2ccccc2c1 ZINC000822665108 606207845 /nfs/dbraw/zinc/20/78/45/606207845.db2.gz IUDGTBKQQXCUMO-UHFFFAOYSA-N -1 3 319.324 2.578 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823332749 606217538 /nfs/dbraw/zinc/21/75/38/606217538.db2.gz 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Cc1ccccc1[C@H](C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822344799 606494025 /nfs/dbraw/zinc/49/40/25/606494025.db2.gz AERDFKACUWEAGS-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1ccccc1[C@H](C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822344799 606494026 /nfs/dbraw/zinc/49/40/26/606494026.db2.gz AERDFKACUWEAGS-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM CC(C)(NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000819987718 606498264 /nfs/dbraw/zinc/49/82/64/606498264.db2.gz IDEOQPPNNDMZJW-UHFFFAOYSA-N -1 3 313.386 2.593 20 0 DFADHM CC(C)(NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000819987718 606498265 /nfs/dbraw/zinc/49/82/65/606498265.db2.gz IDEOQPPNNDMZJW-UHFFFAOYSA-N -1 3 313.386 2.593 20 0 DFADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820859417 606514034 /nfs/dbraw/zinc/51/40/34/606514034.db2.gz DTHJCFFYMRTEDX-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820859417 606514035 /nfs/dbraw/zinc/51/40/35/606514035.db2.gz 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606540378 /nfs/dbraw/zinc/54/03/78/606540378.db2.gz KSANRWFFPGCQJL-GFCCVEGCSA-N -1 3 311.370 2.515 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000822226523 606549339 /nfs/dbraw/zinc/54/93/39/606549339.db2.gz WOJNEGDAVDOKMA-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000822226523 606549341 /nfs/dbraw/zinc/54/93/41/606549341.db2.gz WOJNEGDAVDOKMA-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H]1C ZINC000820743026 606570153 /nfs/dbraw/zinc/57/01/53/606570153.db2.gz PKMKGLBXZCUWNB-IUCAKERBSA-N -1 3 320.784 2.640 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H]1C ZINC000820743026 606570154 /nfs/dbraw/zinc/57/01/54/606570154.db2.gz PKMKGLBXZCUWNB-IUCAKERBSA-N -1 3 320.784 2.640 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(C(C)C)CC1 ZINC000822220578 606617748 /nfs/dbraw/zinc/61/77/48/606617748.db2.gz XJJODJZFLLTJRQ-UHFFFAOYSA-N -1 3 314.393 2.733 20 0 DFADHM 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O=C(Nc1cccc(-c2nnn[n-]2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823358783 606632343 /nfs/dbraw/zinc/63/23/43/606632343.db2.gz FDYRMYWLMYGZGU-BETUJISGSA-N -1 3 312.377 2.521 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823358783 606632345 /nfs/dbraw/zinc/63/23/45/606632345.db2.gz FDYRMYWLMYGZGU-BETUJISGSA-N -1 3 312.377 2.521 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820674471 606635783 /nfs/dbraw/zinc/63/57/83/606635783.db2.gz DCTAQELTHLDFPY-PAKSIRSJSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820674471 606635784 /nfs/dbraw/zinc/63/57/84/606635784.db2.gz DCTAQELTHLDFPY-PAKSIRSJSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@@H](O)c1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000820480751 606638533 /nfs/dbraw/zinc/63/85/33/606638533.db2.gz OGTONAVPXQSDCA-SNVBAGLBSA-N -1 3 314.320 2.638 20 0 DFADHM C[C@@H](O)c1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000820480751 606638534 /nfs/dbraw/zinc/63/85/34/606638534.db2.gz OGTONAVPXQSDCA-SNVBAGLBSA-N -1 3 314.320 2.638 20 0 DFADHM Cn1cc([C@@H](Nc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C)cn1 ZINC000822669686 606643848 /nfs/dbraw/zinc/64/38/48/606643848.db2.gz LRIGSZCMLCMDMA-CQSZACIVSA-N -1 3 311.393 2.800 20 0 DFADHM Fc1cccc(F)c1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822744638 606656906 /nfs/dbraw/zinc/65/69/06/606656906.db2.gz YRQJYQSFPKHOCP-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cccc(F)c1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822744638 606656907 /nfs/dbraw/zinc/65/69/07/606656907.db2.gz YRQJYQSFPKHOCP-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@@H]2CCC[C@H]21 ZINC000823303570 606661068 /nfs/dbraw/zinc/66/10/68/606661068.db2.gz NCUVENRSKMNGFJ-QPUJVOFHSA-N -1 3 318.768 2.536 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@@H]2CCC[C@H]21 ZINC000823303570 606661069 /nfs/dbraw/zinc/66/10/69/606661069.db2.gz NCUVENRSKMNGFJ-QPUJVOFHSA-N -1 3 318.768 2.536 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823445529 606663176 /nfs/dbraw/zinc/66/31/76/606663176.db2.gz ZRHLZAWGTWULNO-GOEBONIOSA-N -1 3 320.352 2.651 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823445529 606663177 /nfs/dbraw/zinc/66/31/77/606663177.db2.gz ZRHLZAWGTWULNO-GOEBONIOSA-N -1 3 320.352 2.651 20 0 DFADHM C[C@@H]1CCC[C@H](OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000820699413 606663504 /nfs/dbraw/zinc/66/35/04/606663504.db2.gz ZTNVSTIZMXFBRH-SCZZXKLOSA-N -1 3 322.315 2.880 20 0 DFADHM C[C@@H]1CCC[C@H](OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000820699413 606663505 /nfs/dbraw/zinc/66/35/05/606663505.db2.gz ZTNVSTIZMXFBRH-SCZZXKLOSA-N -1 3 322.315 2.880 20 0 DFADHM O=C(C=C1CCC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822917434 606682844 /nfs/dbraw/zinc/68/28/44/606682844.db2.gz UNDOAAVXXIILIK-UHFFFAOYSA-N -1 3 323.278 2.934 20 0 DFADHM O=C(C=C1CCC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822917434 606682845 /nfs/dbraw/zinc/68/28/45/606682845.db2.gz UNDOAAVXXIILIK-UHFFFAOYSA-N -1 3 323.278 2.934 20 0 DFADHM CCC1(CC)CCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000820955700 606690937 /nfs/dbraw/zinc/69/09/37/606690937.db2.gz FFFZGOXLHFLXGF-UHFFFAOYSA-N -1 3 305.407 2.581 20 0 DFADHM CCC1(CC)CCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000820955700 606690938 /nfs/dbraw/zinc/69/09/38/606690938.db2.gz FFFZGOXLHFLXGF-UHFFFAOYSA-N -1 3 305.407 2.581 20 0 DFADHM Cc1csc(COc2c(C)cc(-c3nn[n-]n3)cc2C)n1 ZINC000822414840 606707924 /nfs/dbraw/zinc/70/79/24/606707924.db2.gz WNRZKPIMIDIVEM-UHFFFAOYSA-N -1 3 301.375 2.827 20 0 DFADHM CC1(C)C[C@H](Nc2ncccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000820590327 606725525 /nfs/dbraw/zinc/72/55/25/606725525.db2.gz SENMITUXAPTPHW-ZDUSSCGKSA-N -1 3 322.372 2.976 20 0 DFADHM CC1(C)C[C@H](Nc2ncccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000820590327 606725526 /nfs/dbraw/zinc/72/55/26/606725526.db2.gz SENMITUXAPTPHW-ZDUSSCGKSA-N -1 3 322.372 2.976 20 0 DFADHM Fc1ccc([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000822765924 606728306 /nfs/dbraw/zinc/72/83/06/606728306.db2.gz BISQNPKUWCTUGU-AWEZNQCLSA-N -1 3 309.348 3.000 20 0 DFADHM CCC1(CC)CCN(c2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000820955401 606728866 /nfs/dbraw/zinc/72/88/66/606728866.db2.gz BAJIRUDCWYDARY-UHFFFAOYSA-N -1 3 300.410 2.895 20 0 DFADHM CCC1(CC)CCN(c2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000820955401 606728867 /nfs/dbraw/zinc/72/88/67/606728867.db2.gz BAJIRUDCWYDARY-UHFFFAOYSA-N -1 3 300.410 2.895 20 0 DFADHM Clc1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000822578631 606729171 /nfs/dbraw/zinc/72/91/71/606729171.db2.gz MGLRLUBEZWYCGF-QKCSRTOESA-N -1 3 319.796 2.890 20 0 DFADHM Clc1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC000822578631 606729173 /nfs/dbraw/zinc/72/91/73/606729173.db2.gz MGLRLUBEZWYCGF-QKCSRTOESA-N -1 3 319.796 2.890 20 0 DFADHM CCC1(CC)CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000820958107 606729636 /nfs/dbraw/zinc/72/96/36/606729636.db2.gz RMAIHJHVGQDYIL-UHFFFAOYSA-N -1 3 312.421 2.767 20 0 DFADHM CCC1(CC)CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000820958107 606729637 /nfs/dbraw/zinc/72/96/37/606729637.db2.gz RMAIHJHVGQDYIL-UHFFFAOYSA-N -1 3 312.421 2.767 20 0 DFADHM Cc1ncsc1CCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822482732 606780913 /nfs/dbraw/zinc/78/09/13/606780913.db2.gz YOVMCFJHEVGFAP-UHFFFAOYSA-N -1 3 321.793 2.907 20 0 DFADHM Cc1ncsc1CCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822482732 606780916 /nfs/dbraw/zinc/78/09/16/606780916.db2.gz YOVMCFJHEVGFAP-UHFFFAOYSA-N -1 3 321.793 2.907 20 0 DFADHM CCC1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC000820944398 606790703 /nfs/dbraw/zinc/79/07/03/606790703.db2.gz MBQINCUASFRXNU-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM CCC1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000820944398 606790705 /nfs/dbraw/zinc/79/07/05/606790705.db2.gz MBQINCUASFRXNU-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM Fc1ccc2oc(COc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000822786082 606791860 /nfs/dbraw/zinc/79/18/60/606791860.db2.gz CNRSDMUOOBQNGZ-UHFFFAOYSA-N -1 3 311.276 2.726 20 0 DFADHM Fc1ccc2oc(COc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000822786082 606791862 /nfs/dbraw/zinc/79/18/62/606791862.db2.gz CNRSDMUOOBQNGZ-UHFFFAOYSA-N -1 3 311.276 2.726 20 0 DFADHM CC[C@@H](C)CSCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820869540 606796358 /nfs/dbraw/zinc/79/63/58/606796358.db2.gz HMMSVZOVHRXOOI-MRVPVSSYSA-N -1 3 311.436 2.646 20 0 DFADHM CC[C@@H](C)CSCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820869540 606796360 /nfs/dbraw/zinc/79/63/60/606796360.db2.gz HMMSVZOVHRXOOI-MRVPVSSYSA-N -1 3 311.436 2.646 20 0 DFADHM c1ccc2c(c1)nc(NC[C@@H]1CCCS1)cc2-c1nnn[n-]1 ZINC000823792538 606800648 /nfs/dbraw/zinc/80/06/48/606800648.db2.gz WVADULHKYSLUON-JTQLQIEISA-N -1 3 312.402 2.722 20 0 DFADHM c1ccc2c(c1)nc(NC[C@@H]1CCCS1)cc2-c1nn[n-]n1 ZINC000823792538 606800650 /nfs/dbraw/zinc/80/06/50/606800650.db2.gz WVADULHKYSLUON-JTQLQIEISA-N -1 3 312.402 2.722 20 0 DFADHM CSc1cc(C)ccc1CNc1ncccc1-c1nnn[n-]1 ZINC000821977688 606800973 /nfs/dbraw/zinc/80/09/73/606800973.db2.gz JCCYENSUEZTKCT-UHFFFAOYSA-N -1 3 312.402 2.904 20 0 DFADHM CSc1cc(C)ccc1CNc1ncccc1-c1nn[n-]n1 ZINC000821977688 606800975 /nfs/dbraw/zinc/80/09/75/606800975.db2.gz JCCYENSUEZTKCT-UHFFFAOYSA-N -1 3 312.402 2.904 20 0 DFADHM C[C@@H]1CCC[C@@H](CCOC(=O)c2cc(-c3nnn[n-]3)cn2C)C1 ZINC000820696929 606825849 /nfs/dbraw/zinc/82/58/49/606825849.db2.gz DABFTLUGMDYYSO-NEPJUHHUSA-N -1 3 317.393 2.578 20 0 DFADHM C[C@@H]1CCC[C@@H](CCOC(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC000820696929 606825851 /nfs/dbraw/zinc/82/58/51/606825851.db2.gz DABFTLUGMDYYSO-NEPJUHHUSA-N -1 3 317.393 2.578 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820978885 606834657 /nfs/dbraw/zinc/83/46/57/606834657.db2.gz DTANUXBJPRRDNJ-RNCFNFMXSA-N -1 3 318.356 2.706 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820978885 606834659 /nfs/dbraw/zinc/83/46/59/606834659.db2.gz DTANUXBJPRRDNJ-RNCFNFMXSA-N -1 3 318.356 2.706 20 0 DFADHM c1ccc(SCCCOc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823792593 606837013 /nfs/dbraw/zinc/83/70/13/606837013.db2.gz YQTSBROGCGQHDW-UHFFFAOYSA-N -1 3 313.386 2.823 20 0 DFADHM c1ccc(SCCCOc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823792593 606837015 /nfs/dbraw/zinc/83/70/15/606837015.db2.gz YQTSBROGCGQHDW-UHFFFAOYSA-N -1 3 313.386 2.823 20 0 DFADHM c1cn(C2CCCC2)nc1COc1ccccc1-c1nnn[n-]1 ZINC000823772743 606838648 /nfs/dbraw/zinc/83/86/48/606838648.db2.gz MTEDJPSXDOVJBZ-UHFFFAOYSA-N -1 3 310.361 2.757 20 0 DFADHM c1cn(C2CCCC2)nc1COc1ccccc1-c1nn[n-]n1 ZINC000823772743 606838650 /nfs/dbraw/zinc/83/86/50/606838650.db2.gz MTEDJPSXDOVJBZ-UHFFFAOYSA-N -1 3 310.361 2.757 20 0 DFADHM CCC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821040750 606869091 /nfs/dbraw/zinc/86/90/91/606869091.db2.gz QUKAYXIMGAHLBS-GFCCVEGCSA-N -1 3 314.393 2.911 20 0 DFADHM CCC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821040750 606869092 /nfs/dbraw/zinc/86/90/92/606869092.db2.gz QUKAYXIMGAHLBS-GFCCVEGCSA-N -1 3 314.393 2.911 20 0 DFADHM CC(C)CN(C(=O)c1ccn(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081502 606871022 /nfs/dbraw/zinc/87/10/22/606871022.db2.gz JFYMDHNNBROKGP-UHFFFAOYSA-N -1 3 324.388 2.508 20 0 DFADHM CC(C)CN(C(=O)c1ccn(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081502 606871023 /nfs/dbraw/zinc/87/10/23/606871023.db2.gz JFYMDHNNBROKGP-UHFFFAOYSA-N -1 3 324.388 2.508 20 0 DFADHM CC1(C)CCCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820595330 606871040 /nfs/dbraw/zinc/87/10/40/606871040.db2.gz HHLAHPKVKLFZFR-CYBMUJFWSA-N -1 3 314.393 2.957 20 0 DFADHM CC1(C)CCCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820595330 606871042 /nfs/dbraw/zinc/87/10/42/606871042.db2.gz HHLAHPKVKLFZFR-CYBMUJFWSA-N -1 3 314.393 2.957 20 0 DFADHM CCCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821073324 606888363 /nfs/dbraw/zinc/88/83/63/606888363.db2.gz ZEAVKXCNDCZRBJ-UHFFFAOYSA-N -1 3 314.267 2.842 20 0 DFADHM CCCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821073324 606888364 /nfs/dbraw/zinc/88/83/64/606888364.db2.gz ZEAVKXCNDCZRBJ-UHFFFAOYSA-N -1 3 314.267 2.842 20 0 DFADHM Fc1cc(F)cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822753702 606926161 /nfs/dbraw/zinc/92/61/61/606926161.db2.gz RQNYKFDAUXXGFJ-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cc(F)cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822753702 606926162 /nfs/dbraw/zinc/92/61/62/606926162.db2.gz RQNYKFDAUXXGFJ-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CCCC[C@@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821039211 606926720 /nfs/dbraw/zinc/92/67/20/606926720.db2.gz BEMZCZPBDBGTDM-GFCCVEGCSA-N -1 3 302.378 2.921 20 0 DFADHM CCCC[C@@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821039211 606926721 /nfs/dbraw/zinc/92/67/21/606926721.db2.gz BEMZCZPBDBGTDM-GFCCVEGCSA-N -1 3 302.378 2.921 20 0 DFADHM COCc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821696035 606927773 /nfs/dbraw/zinc/92/77/73/606927773.db2.gz SUEKZNOGKRLGRN-UHFFFAOYSA-N -1 3 313.336 2.764 20 0 DFADHM COCc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821696035 606927774 /nfs/dbraw/zinc/92/77/74/606927774.db2.gz SUEKZNOGKRLGRN-UHFFFAOYSA-N -1 3 313.336 2.764 20 0 DFADHM CO[C@@H](C)CCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821673474 606929225 /nfs/dbraw/zinc/92/92/25/606929225.db2.gz CHNPLDMAPQDNAU-QMMMGPOBSA-N -1 3 315.299 2.722 20 0 DFADHM CO[C@@H](C)CCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821673474 606929227 /nfs/dbraw/zinc/92/92/27/606929227.db2.gz CHNPLDMAPQDNAU-QMMMGPOBSA-N -1 3 315.299 2.722 20 0 DFADHM CCc1nnc(N[C@@H](C)[C@H](C)CC)c(-c2nnn[n-]2)c1CC ZINC000821527073 606937128 /nfs/dbraw/zinc/93/71/28/606937128.db2.gz BKTWWYXRZXKDLA-ZJUUUORDSA-N -1 3 303.414 2.628 20 0 DFADHM CCc1nnc(N[C@@H](C)[C@H](C)CC)c(-c2nn[n-]n2)c1CC ZINC000821527073 606937129 /nfs/dbraw/zinc/93/71/29/606937129.db2.gz BKTWWYXRZXKDLA-ZJUUUORDSA-N -1 3 303.414 2.628 20 0 DFADHM CCc1nnc(N[C@H](C)[C@@H](C)CC)c(-c2nnn[n-]2)c1CC ZINC000821527072 606937252 /nfs/dbraw/zinc/93/72/52/606937252.db2.gz BKTWWYXRZXKDLA-VHSXEESVSA-N -1 3 303.414 2.628 20 0 DFADHM CCc1nnc(N[C@H](C)[C@@H](C)CC)c(-c2nn[n-]n2)c1CC ZINC000821527072 606937254 /nfs/dbraw/zinc/93/72/54/606937254.db2.gz BKTWWYXRZXKDLA-VHSXEESVSA-N -1 3 303.414 2.628 20 0 DFADHM CC(C)(C)CC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819908115 606942676 /nfs/dbraw/zinc/94/26/76/606942676.db2.gz WNHMMCBKVUDKCH-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CC(C)(C)CC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819908115 606942677 /nfs/dbraw/zinc/94/26/77/606942677.db2.gz WNHMMCBKVUDKCH-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000820951030 606955095 /nfs/dbraw/zinc/95/50/95/606955095.db2.gz VFXCYRWMAJGVQL-INIZCTEOSA-N -1 3 314.393 2.829 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000820951030 606955096 /nfs/dbraw/zinc/95/50/96/606955096.db2.gz VFXCYRWMAJGVQL-INIZCTEOSA-N -1 3 314.393 2.829 20 0 DFADHM Cc1ccc(CN(C)Cc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000822237459 606959588 /nfs/dbraw/zinc/95/95/88/606959588.db2.gz URCOSVPBIVRKAF-UHFFFAOYSA-N -1 3 301.325 2.539 20 0 DFADHM Cc1ccc(F)cc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000822241038 606972661 /nfs/dbraw/zinc/97/26/61/606972661.db2.gz JJKFPKOBBRUANV-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1ccc(F)cc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000822241038 606972663 /nfs/dbraw/zinc/97/26/63/606972663.db2.gz JJKFPKOBBRUANV-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CC[C@@](C)(NCc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000820852775 606976296 /nfs/dbraw/zinc/97/62/96/606976296.db2.gz GKHOHRITCYMBED-GFCCVEGCSA-N -1 3 317.290 2.826 20 0 DFADHM CC[C@@](C)(NCc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000820852775 606976298 /nfs/dbraw/zinc/97/62/98/606976298.db2.gz GKHOHRITCYMBED-GFCCVEGCSA-N -1 3 317.290 2.826 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1cccc2nsnc21 ZINC000822221489 606983057 /nfs/dbraw/zinc/98/30/57/606983057.db2.gz QMHTYHJBOXYPID-UHFFFAOYSA-N -1 3 324.369 2.759 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1cccc2nsnc21 ZINC000822221489 606983058 /nfs/dbraw/zinc/98/30/58/606983058.db2.gz QMHTYHJBOXYPID-UHFFFAOYSA-N -1 3 324.369 2.759 20 0 DFADHM CC(C)(C)SCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819949887 606988089 /nfs/dbraw/zinc/98/80/89/606988089.db2.gz AXZCIUGCMCCWTI-UHFFFAOYSA-N -1 3 324.381 2.581 20 0 DFADHM CC(C)(C)SCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819949887 606988091 /nfs/dbraw/zinc/98/80/91/606988091.db2.gz AXZCIUGCMCCWTI-UHFFFAOYSA-N -1 3 324.381 2.581 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819882944 607001565 /nfs/dbraw/zinc/00/15/65/607001565.db2.gz DBTSYSSNSFGPOU-SNVBAGLBSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819882944 607001567 /nfs/dbraw/zinc/00/15/67/607001567.db2.gz DBTSYSSNSFGPOU-SNVBAGLBSA-N -1 3 318.352 2.875 20 0 DFADHM CCOC(=O)[C@@H](CC)SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821319195 607010248 /nfs/dbraw/zinc/01/02/48/607010248.db2.gz BVWRHYLIOIKDES-GFCCVEGCSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)[C@@H](CC)SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821319195 607010250 /nfs/dbraw/zinc/01/02/50/607010250.db2.gz BVWRHYLIOIKDES-GFCCVEGCSA-N -1 3 324.381 2.581 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820684165 607036404 /nfs/dbraw/zinc/03/64/04/607036404.db2.gz MRCOVJBGYRBHJU-UWVGGRQHSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820684165 607036406 /nfs/dbraw/zinc/03/64/06/607036406.db2.gz MRCOVJBGYRBHJU-UWVGGRQHSA-N -1 3 303.341 2.771 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(CSC(=S)N2CCCC2)c1 ZINC000822757947 607038822 /nfs/dbraw/zinc/03/88/22/607038822.db2.gz HTOZORIVUUBBHB-UHFFFAOYSA-N -1 3 323.422 2.620 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(CSC(=S)N2CCCC2)c1 ZINC000822757947 607038823 /nfs/dbraw/zinc/03/88/23/607038823.db2.gz HTOZORIVUUBBHB-UHFFFAOYSA-N -1 3 323.422 2.620 20 0 DFADHM Fc1cc(F)c2c(c1)CN(c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822753978 607040787 /nfs/dbraw/zinc/04/07/87/607040787.db2.gz UXMKGWOLGSADOV-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)=C(C)C ZINC000821118120 607042800 /nfs/dbraw/zinc/04/28/00/607042800.db2.gz HSJCQSDMEXDKSL-UHFFFAOYSA-N -1 3 314.393 2.983 20 0 DFADHM CCC(CC)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820893787 607044799 /nfs/dbraw/zinc/04/47/99/607044799.db2.gz VKTUKXINLKZMNV-NSHDSACASA-N -1 3 301.394 2.870 20 0 DFADHM CCC(CC)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820893787 607044801 /nfs/dbraw/zinc/04/48/01/607044801.db2.gz VKTUKXINLKZMNV-NSHDSACASA-N -1 3 301.394 2.870 20 0 DFADHM CCC(CC)(CC)CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820882047 607048956 /nfs/dbraw/zinc/04/89/56/607048956.db2.gz ILQZJLIHDBHRLH-UHFFFAOYSA-N -1 3 315.421 2.742 20 0 DFADHM CCC(CC)(CC)CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820882047 607048957 /nfs/dbraw/zinc/04/89/57/607048957.db2.gz ILQZJLIHDBHRLH-UHFFFAOYSA-N -1 3 315.421 2.742 20 0 DFADHM CC=C(C=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)CC ZINC000820825728 607049828 /nfs/dbraw/zinc/04/98/28/607049828.db2.gz CJDHAPSVHUMXNA-GQHUZBHDSA-N -1 3 315.352 2.535 20 0 DFADHM CC=C(C=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)CC ZINC000820825728 607049830 /nfs/dbraw/zinc/04/98/30/607049830.db2.gz CJDHAPSVHUMXNA-GQHUZBHDSA-N -1 3 315.352 2.535 20 0 DFADHM COc1ccccc1N(C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821897575 607058539 /nfs/dbraw/zinc/05/85/39/607058539.db2.gz ITBXQCGZTMZUJU-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM COc1ccccc1N(C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821897575 607058540 /nfs/dbraw/zinc/05/85/40/607058540.db2.gz ITBXQCGZTMZUJU-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000823417524 607074639 /nfs/dbraw/zinc/07/46/39/607074639.db2.gz CEVLGRUQNNUENZ-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000823417524 607074641 /nfs/dbraw/zinc/07/46/41/607074641.db2.gz CEVLGRUQNNUENZ-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(Cl)o1 ZINC000823418289 607076596 /nfs/dbraw/zinc/07/65/96/607076596.db2.gz OWPYZHSTLDXZGZ-UHFFFAOYSA-N -1 3 322.683 2.609 20 0 DFADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(Cl)o1 ZINC000823418289 607076598 /nfs/dbraw/zinc/07/65/98/607076598.db2.gz OWPYZHSTLDXZGZ-UHFFFAOYSA-N -1 3 322.683 2.609 20 0 DFADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H]1CC12CCCC2 ZINC000823413862 607086766 /nfs/dbraw/zinc/08/67/66/607086766.db2.gz OPICGJQLMWNSOU-CYBMUJFWSA-N -1 3 316.336 2.629 20 0 DFADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H]1CC12CCCC2 ZINC000823413862 607086768 /nfs/dbraw/zinc/08/67/68/607086768.db2.gz OPICGJQLMWNSOU-CYBMUJFWSA-N -1 3 316.336 2.629 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820683530 607090073 /nfs/dbraw/zinc/09/00/73/607090073.db2.gz CKMOCZDFNLVASA-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820683530 607090074 /nfs/dbraw/zinc/09/00/74/607090074.db2.gz CKMOCZDFNLVASA-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820684466 607090240 /nfs/dbraw/zinc/09/02/40/607090240.db2.gz QDKQJJNLPMMZHD-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820684466 607090242 /nfs/dbraw/zinc/09/02/42/607090242.db2.gz QDKQJJNLPMMZHD-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM CCC[C@H](CC)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821014313 607092188 /nfs/dbraw/zinc/09/21/88/607092188.db2.gz DPWRUBNEMWKDQG-NEPJUHHUSA-N -1 3 318.377 2.756 20 0 DFADHM CCC[C@H](CC)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821014313 607092190 /nfs/dbraw/zinc/09/21/90/607092190.db2.gz DPWRUBNEMWKDQG-NEPJUHHUSA-N -1 3 318.377 2.756 20 0 DFADHM Cc1cc(Cl)ncc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000822201986 607102060 /nfs/dbraw/zinc/10/20/60/607102060.db2.gz FNJRSMVGTXHLRU-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1cc(Cl)ncc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000822201986 607102061 /nfs/dbraw/zinc/10/20/61/607102061.db2.gz FNJRSMVGTXHLRU-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1nc(C)c(C)c(Oc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822427252 607128790 /nfs/dbraw/zinc/12/87/90/607128790.db2.gz GSFVFYOXQARZOK-UHFFFAOYSA-N -1 3 300.297 2.513 20 0 DFADHM Cc1nc(C)c(C)c(Oc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822427252 607128791 /nfs/dbraw/zinc/12/87/91/607128791.db2.gz GSFVFYOXQARZOK-UHFFFAOYSA-N -1 3 300.297 2.513 20 0 DFADHM c1cc(-c2nnn[n-]2)ncc1N[C@H]1CCOC2(CCCCC2)C1 ZINC000823747835 607131930 /nfs/dbraw/zinc/13/19/30/607131930.db2.gz KVFXJRZAFUPXDW-LBPRGKRZSA-N -1 3 314.393 2.556 20 0 DFADHM c1cc(-c2nn[n-]n2)ncc1N[C@H]1CCOC2(CCCCC2)C1 ZINC000823747835 607131932 /nfs/dbraw/zinc/13/19/32/607131932.db2.gz KVFXJRZAFUPXDW-LBPRGKRZSA-N -1 3 314.393 2.556 20 0 DFADHM Cc1cccc(C(=O)Nc2sccc2-c2nnn[n-]2)c1F ZINC000822284531 607150832 /nfs/dbraw/zinc/15/08/32/607150832.db2.gz TVKKCXIYQFOJEX-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cccc(C(=O)Nc2sccc2-c2nn[n-]n2)c1F ZINC000822284531 607150833 /nfs/dbraw/zinc/15/08/33/607150833.db2.gz TVKKCXIYQFOJEX-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM CC(C)c1nnc(CNc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000820206535 607171927 /nfs/dbraw/zinc/17/19/27/607171927.db2.gz PBDCVZHBDPNCMV-UHFFFAOYSA-N -1 3 319.756 2.639 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(F)c1 ZINC000823319735 607189414 /nfs/dbraw/zinc/18/94/14/607189414.db2.gz YCIYVVULOLQZFK-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(F)c1 ZINC000823319735 607189415 /nfs/dbraw/zinc/18/94/15/607189415.db2.gz YCIYVVULOLQZFK-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM C[C@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820706263 607197442 /nfs/dbraw/zinc/19/74/42/607197442.db2.gz YGIFHWYTAKSGLO-VIFPVBQESA-N -1 3 320.784 2.926 20 0 DFADHM C[C@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820706263 607197443 /nfs/dbraw/zinc/19/74/43/607197443.db2.gz YGIFHWYTAKSGLO-VIFPVBQESA-N -1 3 320.784 2.926 20 0 DFADHM C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820706262 607197445 /nfs/dbraw/zinc/19/74/45/607197445.db2.gz YGIFHWYTAKSGLO-SECBINFHSA-N -1 3 320.784 2.926 20 0 DFADHM C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820706262 607197446 /nfs/dbraw/zinc/19/74/46/607197446.db2.gz YGIFHWYTAKSGLO-SECBINFHSA-N -1 3 320.784 2.926 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1CCCC1 ZINC000823318704 607204121 /nfs/dbraw/zinc/20/41/21/607204121.db2.gz IHDIBVMEHOGMAN-UHFFFAOYSA-N -1 3 306.757 2.584 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1CCCC1 ZINC000823318704 607204122 /nfs/dbraw/zinc/20/41/22/607204122.db2.gz IHDIBVMEHOGMAN-UHFFFAOYSA-N -1 3 306.757 2.584 20 0 DFADHM Fc1ccc(CCSc2cc(-c3nnn[n-]3)ccn2)cc1F ZINC000822767152 607225277 /nfs/dbraw/zinc/22/52/77/607225277.db2.gz YKRYXLQKXISVMG-UHFFFAOYSA-N -1 3 319.340 2.875 20 0 DFADHM Fc1ccc(CCSc2cc(-c3nn[n-]n3)ccn2)cc1F ZINC000822767152 607225278 /nfs/dbraw/zinc/22/52/78/607225278.db2.gz YKRYXLQKXISVMG-UHFFFAOYSA-N -1 3 319.340 2.875 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000823367208 607235088 /nfs/dbraw/zinc/23/50/88/607235088.db2.gz GKHKTVOITVBJOT-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000823367208 607235089 /nfs/dbraw/zinc/23/50/89/607235089.db2.gz GKHKTVOITVBJOT-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(C=Cc1ccccc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822929703 607244880 /nfs/dbraw/zinc/24/48/80/607244880.db2.gz XHIMORLWJVQRGX-TWGQIWQCSA-N -1 3 310.288 2.625 20 0 DFADHM O=C(C=Cc1ccccc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822929703 607244881 /nfs/dbraw/zinc/24/48/81/607244881.db2.gz XHIMORLWJVQRGX-TWGQIWQCSA-N -1 3 310.288 2.625 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820677283 607247745 /nfs/dbraw/zinc/24/77/45/607247745.db2.gz QGXYJNPDWFENJJ-YIXGCBLDSA-N -1 3 302.309 2.658 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820677283 607247746 /nfs/dbraw/zinc/24/77/46/607247746.db2.gz QGXYJNPDWFENJJ-YIXGCBLDSA-N -1 3 302.309 2.658 20 0 DFADHM CC(C)CCSCC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820081754 607248604 /nfs/dbraw/zinc/24/86/04/607248604.db2.gz UHWODGNECCYEGA-UHFFFAOYSA-N -1 3 324.381 2.691 20 0 DFADHM CC(C)CCSCC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820081754 607248605 /nfs/dbraw/zinc/24/86/05/607248605.db2.gz UHWODGNECCYEGA-UHFFFAOYSA-N -1 3 324.381 2.691 20 0 DFADHM Cc1c(NC(=S)Nc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822116384 607252086 /nfs/dbraw/zinc/25/20/86/607252086.db2.gz RBVCXECCDWYEMC-UHFFFAOYSA-N -1 3 310.386 2.984 20 0 DFADHM Cc1c(NC(=S)Nc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822116384 607252087 /nfs/dbraw/zinc/25/20/87/607252087.db2.gz RBVCXECCDWYEMC-UHFFFAOYSA-N -1 3 310.386 2.984 20 0 DFADHM CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825711870 607772349 /nfs/dbraw/zinc/77/23/49/607772349.db2.gz HVYUEESUMBODDN-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825711870 607772350 /nfs/dbraw/zinc/77/23/50/607772350.db2.gz HVYUEESUMBODDN-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c2ccccc21 ZINC000824919064 607775053 /nfs/dbraw/zinc/77/50/53/607775053.db2.gz RQEUNYMAPQMXCU-GXFFZTMASA-N -1 3 322.372 2.563 20 0 DFADHM C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c2ccccc21 ZINC000824919064 607775054 /nfs/dbraw/zinc/77/50/54/607775054.db2.gz RQEUNYMAPQMXCU-GXFFZTMASA-N -1 3 322.372 2.563 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c2ccccc21 ZINC000824919351 607775091 /nfs/dbraw/zinc/77/50/91/607775091.db2.gz UJHHXPHBKLFUHG-HZMBPMFUSA-N -1 3 322.372 2.563 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c2ccccc21 ZINC000824919351 607775092 /nfs/dbraw/zinc/77/50/92/607775092.db2.gz UJHHXPHBKLFUHG-HZMBPMFUSA-N -1 3 322.372 2.563 20 0 DFADHM CCc1cccc(CC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000825722873 607783046 /nfs/dbraw/zinc/78/30/46/607783046.db2.gz NCDSGYWSJDAJQE-UHFFFAOYSA-N -1 3 313.386 2.672 20 0 DFADHM CCc1cccc(CC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000825722873 607783047 /nfs/dbraw/zinc/78/30/47/607783047.db2.gz NCDSGYWSJDAJQE-UHFFFAOYSA-N -1 3 313.386 2.672 20 0 DFADHM CN(C(=O)[C@@H]1CC1(C)C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825811770 607786327 /nfs/dbraw/zinc/78/63/27/607786327.db2.gz BLWHOUBNICVSSD-JTQLQIEISA-N -1 3 305.769 2.529 20 0 DFADHM CN(C(=O)[C@@H]1CC1(C)C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825811770 607786328 /nfs/dbraw/zinc/78/63/28/607786328.db2.gz BLWHOUBNICVSSD-JTQLQIEISA-N -1 3 305.769 2.529 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824230066 607787704 /nfs/dbraw/zinc/78/77/04/607787704.db2.gz ZCDBXYYVAKBLQL-GFCCVEGCSA-N -1 3 301.394 2.902 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824230066 607787705 /nfs/dbraw/zinc/78/77/05/607787705.db2.gz ZCDBXYYVAKBLQL-GFCCVEGCSA-N -1 3 301.394 2.902 20 0 DFADHM CN(Cc1ccc(F)cc1-c1nnn[n-]1)OCc1ccccc1 ZINC000825966015 607792430 /nfs/dbraw/zinc/79/24/30/607792430.db2.gz KKFYCNXHLOFWPC-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CN(Cc1ccc(F)cc1-c1nn[n-]n1)OCc1ccccc1 ZINC000825966015 607792431 /nfs/dbraw/zinc/79/24/31/607792431.db2.gz KKFYCNXHLOFWPC-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000824158391 607794250 /nfs/dbraw/zinc/79/42/50/607794250.db2.gz VMPALIXUYPECRZ-UHFFFAOYSA-N -1 3 313.405 2.813 20 0 DFADHM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000824158391 607794251 /nfs/dbraw/zinc/79/42/51/607794251.db2.gz VMPALIXUYPECRZ-UHFFFAOYSA-N -1 3 313.405 2.813 20 0 DFADHM CCCCSCC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825296634 607795715 /nfs/dbraw/zinc/79/57/15/607795715.db2.gz QYVYVVKJAKFYSD-UHFFFAOYSA-N -1 3 319.434 2.753 20 0 DFADHM CCCCSCC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825296634 607795716 /nfs/dbraw/zinc/79/57/16/607795716.db2.gz QYVYVVKJAKFYSD-UHFFFAOYSA-N -1 3 319.434 2.753 20 0 DFADHM CN(CCc1nccs1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000825949849 607810992 /nfs/dbraw/zinc/81/09/92/607810992.db2.gz BJSFKRKXKXTBTQ-UHFFFAOYSA-N -1 3 320.809 2.656 20 0 DFADHM CN(CCc1nccs1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000825949849 607810993 /nfs/dbraw/zinc/81/09/93/607810993.db2.gz BJSFKRKXKXTBTQ-UHFFFAOYSA-N -1 3 320.809 2.656 20 0 DFADHM Cc1cc(F)ccc1OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826268778 607861532 /nfs/dbraw/zinc/86/15/32/607861532.db2.gz MVYJYIWAAZHYEG-TWGQIWQCSA-N -1 3 324.315 2.933 20 0 DFADHM Cc1cc(F)ccc1OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826268778 607861533 /nfs/dbraw/zinc/86/15/33/607861533.db2.gz MVYJYIWAAZHYEG-TWGQIWQCSA-N -1 3 324.315 2.933 20 0 DFADHM Cc1ccc(C)c(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826284657 607869547 /nfs/dbraw/zinc/86/95/47/607869547.db2.gz AHICSLGDWGJGKS-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc(C)c(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826284657 607869548 /nfs/dbraw/zinc/86/95/48/607869548.db2.gz AHICSLGDWGJGKS-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc(C)c(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826285053 607870223 /nfs/dbraw/zinc/87/02/23/607870223.db2.gz OJRMVMNUKJZPIA-INIZCTEOSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1ccc(C)c(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826285053 607870224 /nfs/dbraw/zinc/87/02/24/607870224.db2.gz OJRMVMNUKJZPIA-INIZCTEOSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1cc(C)cc([C@@H](O)COc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000826264407 607876963 /nfs/dbraw/zinc/87/69/63/607876963.db2.gz NEUFDUDPTUHKCV-INIZCTEOSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1cc(C)cc([C@@H](O)COc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000826264407 607876964 /nfs/dbraw/zinc/87/69/64/607876964.db2.gz NEUFDUDPTUHKCV-INIZCTEOSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1ccc([C@@H](O)COc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826284194 607877244 /nfs/dbraw/zinc/87/72/44/607877244.db2.gz MSTRZZWKXOPRHM-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc([C@@H](O)COc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826284194 607877245 /nfs/dbraw/zinc/87/72/45/607877245.db2.gz MSTRZZWKXOPRHM-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)Cn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000824136664 607890029 /nfs/dbraw/zinc/89/00/29/607890029.db2.gz UOCBQSQIUNAUOS-UHFFFAOYSA-N -1 3 324.388 2.604 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)Cn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000824136664 607890030 /nfs/dbraw/zinc/89/00/30/607890030.db2.gz UOCBQSQIUNAUOS-UHFFFAOYSA-N -1 3 324.388 2.604 20 0 DFADHM FC(F)(F)Oc1ccc(Cn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000826368221 607891936 /nfs/dbraw/zinc/89/19/36/607891936.db2.gz HNLWRJYQQMMXMS-UHFFFAOYSA-N -1 3 309.251 2.615 20 0 DFADHM FC(F)(F)Oc1ccc(Cn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000826368221 607891937 /nfs/dbraw/zinc/89/19/37/607891937.db2.gz HNLWRJYQQMMXMS-UHFFFAOYSA-N -1 3 309.251 2.615 20 0 DFADHM CC[C@@H](C)CSCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825067802 607892967 /nfs/dbraw/zinc/89/29/67/607892967.db2.gz NGJVEBIYMBJMIS-SNVBAGLBSA-N -1 3 320.418 2.933 20 0 DFADHM CC[C@@H](C)CSCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825067802 607892968 /nfs/dbraw/zinc/89/29/68/607892968.db2.gz NGJVEBIYMBJMIS-SNVBAGLBSA-N -1 3 320.418 2.933 20 0 DFADHM CSCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826228988 607894776 /nfs/dbraw/zinc/89/47/76/607894776.db2.gz JXHCYRHSUOZVPB-UHFFFAOYSA-N -1 3 303.313 2.660 20 0 DFADHM CSCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826228988 607894777 /nfs/dbraw/zinc/89/47/77/607894777.db2.gz JXHCYRHSUOZVPB-UHFFFAOYSA-N -1 3 303.313 2.660 20 0 DFADHM Cc1ccnc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826308803 607924481 /nfs/dbraw/zinc/92/44/81/607924481.db2.gz QMHVAUDERKMHOC-UHFFFAOYSA-N -1 3 323.404 2.628 20 0 DFADHM CC1(C)CCC[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000824802413 607926273 /nfs/dbraw/zinc/92/62/73/607926273.db2.gz MNDHFJVAFIBGNA-LLVKDONJSA-N -1 3 314.393 2.807 20 0 DFADHM CC1(C)CCC[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000824802413 607926274 /nfs/dbraw/zinc/92/62/74/607926274.db2.gz MNDHFJVAFIBGNA-LLVKDONJSA-N -1 3 314.393 2.807 20 0 DFADHM O=C(C=C1CCCCC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399764 607951179 /nfs/dbraw/zinc/95/11/79/607951179.db2.gz FLIWXVKWYZKJBL-UHFFFAOYSA-N -1 3 309.373 2.646 20 0 DFADHM O=C(C=C1CCCCC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399764 607951180 /nfs/dbraw/zinc/95/11/80/607951180.db2.gz FLIWXVKWYZKJBL-UHFFFAOYSA-N -1 3 309.373 2.646 20 0 DFADHM O=C(C1CCCCCC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399062 607952083 /nfs/dbraw/zinc/95/20/83/607952083.db2.gz LXHUUDGNWBSLFB-UHFFFAOYSA-N -1 3 311.389 2.726 20 0 DFADHM O=C(C1CCCCCC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399062 607952084 /nfs/dbraw/zinc/95/20/84/607952084.db2.gz LXHUUDGNWBSLFB-UHFFFAOYSA-N -1 3 311.389 2.726 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824906176 607954755 /nfs/dbraw/zinc/95/47/55/607954755.db2.gz AXCGSJIBTCBPOQ-NEPJUHHUSA-N -1 3 311.389 2.582 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824906176 607954756 /nfs/dbraw/zinc/95/47/56/607954756.db2.gz AXCGSJIBTCBPOQ-NEPJUHHUSA-N -1 3 311.389 2.582 20 0 DFADHM O=C(C(F)=C1CCCC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826396690 607955795 /nfs/dbraw/zinc/95/57/95/607955795.db2.gz HUOMEXLULMUQIP-UHFFFAOYSA-N -1 3 313.336 2.553 20 0 DFADHM O=C(C(F)=C1CCCC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826396690 607955796 /nfs/dbraw/zinc/95/57/96/607955796.db2.gz HUOMEXLULMUQIP-UHFFFAOYSA-N -1 3 313.336 2.553 20 0 DFADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1c(C)noc1C ZINC000825782597 607975896 /nfs/dbraw/zinc/97/58/96/607975896.db2.gz IOCIMBHTSGFXAM-UHFFFAOYSA-N -1 3 309.333 2.508 20 0 DFADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1c(C)noc1C ZINC000825782597 607975897 /nfs/dbraw/zinc/97/58/97/607975897.db2.gz IOCIMBHTSGFXAM-UHFFFAOYSA-N -1 3 309.333 2.508 20 0 DFADHM CC1(C)CCC(CNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824795612 608004516 /nfs/dbraw/zinc/00/45/16/608004516.db2.gz ARZZYZGFDWUGOO-UHFFFAOYSA-N -1 3 313.405 2.813 20 0 DFADHM CC1(C)CCC(CNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824795612 608004517 /nfs/dbraw/zinc/00/45/17/608004517.db2.gz ARZZYZGFDWUGOO-UHFFFAOYSA-N -1 3 313.405 2.813 20 0 DFADHM CC1(C)CCC(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824797440 608004655 /nfs/dbraw/zinc/00/46/55/608004655.db2.gz YFWVFNIHQMHFFA-UHFFFAOYSA-N -1 3 313.405 2.813 20 0 DFADHM CC1(C)CCC(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824797440 608004656 /nfs/dbraw/zinc/00/46/56/608004656.db2.gz YFWVFNIHQMHFFA-UHFFFAOYSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2Br)[C@@H]1C ZINC000824961860 608050628 /nfs/dbraw/zinc/05/06/28/608050628.db2.gz KDDKEFCQWBIFCP-RKDXNWHRSA-N -1 3 322.210 2.864 20 0 DFADHM O=C(Oc1ccc(Cl)c(F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000826468525 608074370 /nfs/dbraw/zinc/07/43/70/608074370.db2.gz VMNCKBPDRQTODI-UHFFFAOYSA-N -1 3 324.724 2.940 20 0 DFADHM O=C(Oc1ccc(Cl)c(F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000826468525 608074371 /nfs/dbraw/zinc/07/43/71/608074371.db2.gz VMNCKBPDRQTODI-UHFFFAOYSA-N -1 3 324.724 2.940 20 0 DFADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc(C)c1F ZINC000826260587 608122379 /nfs/dbraw/zinc/12/23/79/608122379.db2.gz VXLFGPVZSFEMIO-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc(C)c1F ZINC000826260587 608122380 /nfs/dbraw/zinc/12/23/80/608122380.db2.gz VXLFGPVZSFEMIO-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824393612 608123410 /nfs/dbraw/zinc/12/34/10/608123410.db2.gz UCIGVNXRZPBJRK-ZANVPECISA-N -1 3 317.324 2.523 20 0 DFADHM C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824393612 608123411 /nfs/dbraw/zinc/12/34/11/608123411.db2.gz UCIGVNXRZPBJRK-ZANVPECISA-N -1 3 317.324 2.523 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000826244335 608131441 /nfs/dbraw/zinc/13/14/41/608131441.db2.gz OPAGQXRMMMDYSA-ZDUSSCGKSA-N -1 3 313.405 2.683 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000826244335 608131442 /nfs/dbraw/zinc/13/14/42/608131442.db2.gz OPAGQXRMMMDYSA-ZDUSSCGKSA-N -1 3 313.405 2.683 20 0 DFADHM Cc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000826288383 608137695 /nfs/dbraw/zinc/13/76/95/608137695.db2.gz FCOFXJRKXVZFPA-JTQLQIEISA-N -1 3 301.325 2.758 20 0 DFADHM Cc1ccc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000826288383 608137694 /nfs/dbraw/zinc/13/76/94/608137694.db2.gz FCOFXJRKXVZFPA-JTQLQIEISA-N -1 3 301.325 2.758 20 0 DFADHM C[C@@H](C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826231918 608142102 /nfs/dbraw/zinc/14/21/02/608142102.db2.gz OXVPKMXXJZTKMJ-GFCCVEGCSA-N -1 3 308.341 2.714 20 0 DFADHM C[C@@H](C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826231918 608142103 /nfs/dbraw/zinc/14/21/03/608142103.db2.gz OXVPKMXXJZTKMJ-GFCCVEGCSA-N -1 3 308.341 2.714 20 0 DFADHM CC(C)(C)[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824080081 608149780 /nfs/dbraw/zinc/14/97/80/608149780.db2.gz UGZJLZQKBLQTAX-ZIAGYGMSSA-N -1 3 301.394 2.872 20 0 DFADHM COc1ccc([C@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826211417 608167979 /nfs/dbraw/zinc/16/79/79/608167979.db2.gz BWEDVLBYMWGOFC-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM COc1ccc([C@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826211417 608167981 /nfs/dbraw/zinc/16/79/81/608167981.db2.gz BWEDVLBYMWGOFC-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM C[C@H]1CCC[C@H](COC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000824927428 608170022 /nfs/dbraw/zinc/17/00/22/608170022.db2.gz OFYJIDGKUKXDBH-UWVGGRQHSA-N -1 3 306.391 2.911 20 0 DFADHM C[C@H]1CCC[C@H](COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824929756 608170149 /nfs/dbraw/zinc/17/01/49/608170149.db2.gz YNYRQYIHEYIKIG-JSGCOSHPSA-N -1 3 314.389 2.779 20 0 DFADHM C[C@H]1CCC[C@H](COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824929756 608170151 /nfs/dbraw/zinc/17/01/51/608170151.db2.gz YNYRQYIHEYIKIG-JSGCOSHPSA-N -1 3 314.389 2.779 20 0 DFADHM CCCCO[C@@H](C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825291140 608182343 /nfs/dbraw/zinc/18/23/43/608182343.db2.gz MQMNQPNKSFFCDL-NEPJUHHUSA-N -1 3 318.377 2.676 20 0 DFADHM CCCCO[C@@H](C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825291140 608182345 /nfs/dbraw/zinc/18/23/45/608182345.db2.gz MQMNQPNKSFFCDL-NEPJUHHUSA-N -1 3 318.377 2.676 20 0 DFADHM C[C@@H]1C[C@@H](CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824882838 608195563 /nfs/dbraw/zinc/19/55/63/608195563.db2.gz CURQECGJAXTWME-ZJUUUORDSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H]1C[C@@H](CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824882838 608195564 /nfs/dbraw/zinc/19/55/64/608195564.db2.gz CURQECGJAXTWME-ZJUUUORDSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccn1 ZINC000824662500 608221022 /nfs/dbraw/zinc/22/10/22/608221022.db2.gz LRWOJJHRPOKTLD-LLVKDONJSA-N -1 3 317.356 2.983 20 0 DFADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccn1 ZINC000824662500 608221024 /nfs/dbraw/zinc/22/10/24/608221024.db2.gz LRWOJJHRPOKTLD-LLVKDONJSA-N -1 3 317.356 2.983 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ncc(C)s1 ZINC000825632139 608234282 /nfs/dbraw/zinc/23/42/82/608234282.db2.gz MFPXBMCYBPDJFR-UHFFFAOYSA-N -1 3 316.390 2.642 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ncc(C)s1 ZINC000825632139 608234284 /nfs/dbraw/zinc/23/42/84/608234284.db2.gz MFPXBMCYBPDJFR-UHFFFAOYSA-N -1 3 316.390 2.642 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825192739 608261846 /nfs/dbraw/zinc/26/18/46/608261846.db2.gz HVTIUCNRTXQRDK-GXSJLCMTSA-N -1 3 318.356 2.801 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825192739 608261848 /nfs/dbraw/zinc/26/18/48/608261848.db2.gz HVTIUCNRTXQRDK-GXSJLCMTSA-N -1 3 318.356 2.801 20 0 DFADHM CCOc1cccc(CNc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC000825649828 608275496 /nfs/dbraw/zinc/27/54/96/608275496.db2.gz ZBOMCRNRBYEXQX-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1cccc(CNc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC000825649828 608275497 /nfs/dbraw/zinc/27/54/97/608275497.db2.gz ZBOMCRNRBYEXQX-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCC(CC)CCOC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825107474 608275983 /nfs/dbraw/zinc/27/59/83/608275983.db2.gz PBTLQMDHUYSMHD-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CCC(CC)CCOC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825107474 608275985 /nfs/dbraw/zinc/27/59/85/608275985.db2.gz PBTLQMDHUYSMHD-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccccc2OC(C)C)n1 ZINC000826277580 608277042 /nfs/dbraw/zinc/27/70/42/608277042.db2.gz YUNHHGCBURSCDI-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccccc2OC(C)C)n1 ZINC000826277580 608277043 /nfs/dbraw/zinc/27/70/43/608277043.db2.gz YUNHHGCBURSCDI-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2c(F)cccc2Cl)n1 ZINC000826276776 608279081 /nfs/dbraw/zinc/27/90/81/608279081.db2.gz WUKNTRBEGNKOML-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2c(F)cccc2Cl)n1 ZINC000826276776 608279083 /nfs/dbraw/zinc/27/90/83/608279083.db2.gz WUKNTRBEGNKOML-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Cc1ccc(OCCCNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000826292117 608282595 /nfs/dbraw/zinc/28/25/95/608282595.db2.gz IZTDSTYGWJRCHM-UHFFFAOYSA-N -1 3 324.388 2.760 20 0 DFADHM Cc1ccc(OCCCNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000826292117 608282597 /nfs/dbraw/zinc/28/25/97/608282597.db2.gz IZTDSTYGWJRCHM-UHFFFAOYSA-N -1 3 324.388 2.760 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2cccc(F)c2F)n1 ZINC000826276352 608286792 /nfs/dbraw/zinc/28/67/92/608286792.db2.gz BQKUIRFRLMOYFG-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2cccc(F)c2F)n1 ZINC000826276352 608286793 /nfs/dbraw/zinc/28/67/93/608286793.db2.gz BQKUIRFRLMOYFG-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H](c3ccccc3)C[C@H]2C)n1 ZINC000826274109 608287732 /nfs/dbraw/zinc/28/77/32/608287732.db2.gz GYWIBGJXUSHZKK-UKRRQHHQSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H](c3ccccc3)C[C@H]2C)n1 ZINC000826274109 608287735 /nfs/dbraw/zinc/28/77/35/608287735.db2.gz GYWIBGJXUSHZKK-UKRRQHHQSA-N -1 3 320.400 2.953 20 0 DFADHM CS[C@@H](C)CCC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826225944 608293645 /nfs/dbraw/zinc/29/36/45/608293645.db2.gz OGPXHNKZMZCXFT-WDEREUQCSA-N -1 3 319.434 2.576 20 0 DFADHM CS[C@@H](C)CCC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826225944 608293646 /nfs/dbraw/zinc/29/36/46/608293646.db2.gz OGPXHNKZMZCXFT-WDEREUQCSA-N -1 3 319.434 2.576 20 0 DFADHM c1c2c(nc(N3C[C@@H]4CCCC[C@H]4C3)c1-c1nnn[n-]1)CCCC2 ZINC000826512037 608294633 /nfs/dbraw/zinc/29/46/33/608294633.db2.gz MQIXVYFSHUQGRH-KBPBESRZSA-N -1 3 324.432 2.767 20 0 DFADHM c1c2c(nc(N3C[C@@H]4CCCC[C@H]4C3)c1-c1nn[n-]n1)CCCC2 ZINC000826512037 608294635 /nfs/dbraw/zinc/29/46/35/608294635.db2.gz MQIXVYFSHUQGRH-KBPBESRZSA-N -1 3 324.432 2.767 20 0 DFADHM Cc1ccc2c(c1)CCN2c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826294594 608295938 /nfs/dbraw/zinc/29/59/38/608295938.db2.gz WJCRZWQGAWAXPR-UHFFFAOYSA-N -1 3 312.764 2.918 20 0 DFADHM Cc1ccc2c(c1)CCN2c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826294594 608295941 /nfs/dbraw/zinc/29/59/41/608295941.db2.gz WJCRZWQGAWAXPR-UHFFFAOYSA-N -1 3 312.764 2.918 20 0 DFADHM C[C@@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C[C@H]1C ZINC000824961079 608302799 /nfs/dbraw/zinc/30/27/99/608302799.db2.gz AZKNRLDMVRBCJG-VXGBXAGGSA-N -1 3 312.421 2.623 20 0 DFADHM C[C@@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C[C@H]1C ZINC000824961079 608302801 /nfs/dbraw/zinc/30/28/01/608302801.db2.gz AZKNRLDMVRBCJG-VXGBXAGGSA-N -1 3 312.421 2.623 20 0 DFADHM Cc1cc(C)c(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826263203 608339619 /nfs/dbraw/zinc/33/96/19/608339619.db2.gz PNWFGJIPXXCYKB-UHFFFAOYSA-N -1 3 322.368 2.940 20 0 DFADHM Cc1cc(C)c(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826263203 608339621 /nfs/dbraw/zinc/33/96/21/608339621.db2.gz PNWFGJIPXXCYKB-UHFFFAOYSA-N -1 3 322.368 2.940 20 0 DFADHM CCN(C(=O)CC[C@H](C)SC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372467 608341991 /nfs/dbraw/zinc/34/19/91/608341991.db2.gz ZRLLTIJXHLTWCT-NSHDSACASA-N -1 3 319.434 2.751 20 0 DFADHM CCN(C(=O)CC[C@H](C)SC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372467 608341993 /nfs/dbraw/zinc/34/19/93/608341993.db2.gz ZRLLTIJXHLTWCT-NSHDSACASA-N -1 3 319.434 2.751 20 0 DFADHM Fc1c(CSc2ccc(Cl)nn2)cccc1-c1nnn[n-]1 ZINC000826370919 608397072 /nfs/dbraw/zinc/39/70/72/608397072.db2.gz LNLNXHNGCNIXED-UHFFFAOYSA-N -1 3 322.756 2.742 20 0 DFADHM Fc1c(CSc2ccc(Cl)nn2)cccc1-c1nn[n-]n1 ZINC000826370919 608397074 /nfs/dbraw/zinc/39/70/74/608397074.db2.gz LNLNXHNGCNIXED-UHFFFAOYSA-N -1 3 322.756 2.742 20 0 DFADHM FC(F)(F)c1ccc(Sc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000826368813 608403966 /nfs/dbraw/zinc/40/39/66/608403966.db2.gz CAZQPXWTDNJWBV-UHFFFAOYSA-N -1 3 324.291 2.827 20 0 DFADHM FC(F)(F)c1ccc(Sc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000826368813 608403967 /nfs/dbraw/zinc/40/39/67/608403967.db2.gz CAZQPXWTDNJWBV-UHFFFAOYSA-N -1 3 324.291 2.827 20 0 DFADHM Fc1c(CSC[C@H]2CCCOC2)cccc1-c1nnn[n-]1 ZINC000826370778 608404823 /nfs/dbraw/zinc/40/48/23/608404823.db2.gz HCUHCYZGAFOAPW-JTQLQIEISA-N -1 3 308.382 2.666 20 0 DFADHM Fc1c(CSC[C@H]2CCCOC2)cccc1-c1nn[n-]n1 ZINC000826370778 608404825 /nfs/dbraw/zinc/40/48/25/608404825.db2.gz HCUHCYZGAFOAPW-JTQLQIEISA-N -1 3 308.382 2.666 20 0 DFADHM COC1(C)CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826143618 608412332 /nfs/dbraw/zinc/41/23/32/608412332.db2.gz INEBAGUAFSHDRN-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM COC1(C)CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826143618 608412333 /nfs/dbraw/zinc/41/23/33/608412333.db2.gz INEBAGUAFSHDRN-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM CCOc1ccccc1[C@H](C)NCc1ccnc(-c2nnn[n-]2)c1 ZINC000825654250 608436304 /nfs/dbraw/zinc/43/63/04/608436304.db2.gz UEUCUCPCMSITKW-LBPRGKRZSA-N -1 3 324.388 2.511 20 0 DFADHM Cc1ccccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826305554 608436878 /nfs/dbraw/zinc/43/68/78/608436878.db2.gz BBVLRKUZSABUDB-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826305554 608436880 /nfs/dbraw/zinc/43/68/80/608436880.db2.gz BBVLRKUZSABUDB-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Fc1cccnc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826378271 608442691 /nfs/dbraw/zinc/44/26/91/608442691.db2.gz BTCCWQMJGOVUJQ-UHFFFAOYSA-N -1 3 322.347 2.695 20 0 DFADHM Fc1cccnc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826378271 608442693 /nfs/dbraw/zinc/44/26/93/608442693.db2.gz BTCCWQMJGOVUJQ-UHFFFAOYSA-N -1 3 322.347 2.695 20 0 DFADHM CC(C)(C)CCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824085479 608449630 /nfs/dbraw/zinc/44/96/30/608449630.db2.gz DGTHQDVZJKTMNN-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CC(C)(C)CCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824085479 608449632 /nfs/dbraw/zinc/44/96/32/608449632.db2.gz DGTHQDVZJKTMNN-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H]1CC12CCCC2 ZINC000826466199 608452573 /nfs/dbraw/zinc/45/25/73/608452573.db2.gz SFQZSVUMOIQGFX-LBPRGKRZSA-N -1 3 316.336 2.629 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CC12CCCC2 ZINC000826466199 608452575 /nfs/dbraw/zinc/45/25/75/608452575.db2.gz SFQZSVUMOIQGFX-LBPRGKRZSA-N -1 3 316.336 2.629 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCCc1ccc(C)cc1 ZINC000826176537 608475263 /nfs/dbraw/zinc/47/52/63/608475263.db2.gz TWOIRUJFYNCTGY-UHFFFAOYSA-N -1 3 310.357 2.805 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCCc1ccc(C)cc1 ZINC000826176537 608475264 /nfs/dbraw/zinc/47/52/64/608475264.db2.gz TWOIRUJFYNCTGY-UHFFFAOYSA-N -1 3 310.357 2.805 20 0 DFADHM COc1cc(F)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826180577 608481125 /nfs/dbraw/zinc/48/11/25/608481125.db2.gz NEEPUVSKJBPHAM-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1cc(F)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826180577 608481127 /nfs/dbraw/zinc/48/11/27/608481127.db2.gz NEEPUVSKJBPHAM-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM C[C@@H]1c2ccsc2CCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825028008 608504020 /nfs/dbraw/zinc/50/40/20/608504020.db2.gz CCGJHHXTGMYMFH-SECBINFHSA-N -1 3 301.375 2.641 20 0 DFADHM C[C@@H]1c2ccsc2CCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825028008 608504022 /nfs/dbraw/zinc/50/40/22/608504022.db2.gz CCGJHHXTGMYMFH-SECBINFHSA-N -1 3 301.375 2.641 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)nc1NCCCN(C)c1ccccc1 ZINC000826280459 608541049 /nfs/dbraw/zinc/54/10/49/608541049.db2.gz CFXHVXQXXNLOLX-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc2c(c1)COC2 ZINC000826183963 608542488 /nfs/dbraw/zinc/54/24/88/608542488.db2.gz GORLAQQHERELGA-UHFFFAOYSA-N -1 3 323.356 2.518 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc2c(c1)COC2 ZINC000826183963 608542489 /nfs/dbraw/zinc/54/24/89/608542489.db2.gz GORLAQQHERELGA-UHFFFAOYSA-N -1 3 323.356 2.518 20 0 DFADHM O=C(Nc1ccsc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459141 608577402 /nfs/dbraw/zinc/57/74/02/608577402.db2.gz WWVIKUDEYWOSSN-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM O=C(Nc1ccsc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459141 608577403 /nfs/dbraw/zinc/57/74/03/608577403.db2.gz WWVIKUDEYWOSSN-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM CCOc1cccc([C@H]2C[C@@H]2Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000825648981 608589011 /nfs/dbraw/zinc/58/90/11/608589011.db2.gz ISDXRCCDNMZMIG-CABCVRRESA-N -1 3 322.372 2.628 20 0 DFADHM CCOc1cccc([C@H]2C[C@@H]2Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000825648981 608589013 /nfs/dbraw/zinc/58/90/13/608589013.db2.gz ISDXRCCDNMZMIG-CABCVRRESA-N -1 3 322.372 2.628 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@H](C)[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000826242042 608608877 /nfs/dbraw/zinc/60/88/77/608608877.db2.gz XUBDSZLGWWEIIM-JQWIXIFHSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@H](C)[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000826242042 608608879 /nfs/dbraw/zinc/60/88/79/608608879.db2.gz XUBDSZLGWWEIIM-JQWIXIFHSA-N -1 3 314.393 2.827 20 0 DFADHM CC(C)(C)C(=O)CSCc1cccc(-c2nnn[n-]2)c1F ZINC000824064997 608671229 /nfs/dbraw/zinc/67/12/29/608671229.db2.gz RJKKSBABFZNRLV-UHFFFAOYSA-N -1 3 308.382 2.854 20 0 DFADHM CC(C)(C)C(=O)CSCc1cccc(-c2nn[n-]n2)c1F ZINC000824064997 608671230 /nfs/dbraw/zinc/67/12/30/608671230.db2.gz RJKKSBABFZNRLV-UHFFFAOYSA-N -1 3 308.382 2.854 20 0 DFADHM CCc1ccc([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)o1 ZINC000825704876 608709552 /nfs/dbraw/zinc/70/95/52/608709552.db2.gz OTHJPVIALUVUCY-CYBMUJFWSA-N -1 3 313.361 2.952 20 0 DFADHM C[C@@H]1c2ccc(F)cc2CCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825029179 608718945 /nfs/dbraw/zinc/71/89/45/608718945.db2.gz OJNBIANMLPNTHG-SNVBAGLBSA-N -1 3 313.336 2.718 20 0 DFADHM C[C@@H]1c2ccc(F)cc2CCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825029179 608718947 /nfs/dbraw/zinc/71/89/47/608718947.db2.gz OJNBIANMLPNTHG-SNVBAGLBSA-N -1 3 313.336 2.718 20 0 DFADHM C[C@@H](Nc1cnccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000824662091 608768497 /nfs/dbraw/zinc/76/84/97/608768497.db2.gz BZOOZYFZADNKMT-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](Nc1cnccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000824662091 608768499 /nfs/dbraw/zinc/76/84/99/608768499.db2.gz BZOOZYFZADNKMT-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM CC(C)OCc1ccccc1CNc1cnccc1-c1nnn[n-]1 ZINC000824315760 608771364 /nfs/dbraw/zinc/77/13/64/608771364.db2.gz XRBKPUZPKWKNIB-UHFFFAOYSA-N -1 3 324.388 2.799 20 0 DFADHM CC(C)OCc1ccccc1CNc1cnccc1-c1nn[n-]n1 ZINC000824315760 608771366 /nfs/dbraw/zinc/77/13/66/608771366.db2.gz XRBKPUZPKWKNIB-UHFFFAOYSA-N -1 3 324.388 2.799 20 0 DFADHM C[C@H]1C[C@H](c2ccccc2)CN1c1cnccc1-c1nnn[n-]1 ZINC000824899656 608783442 /nfs/dbraw/zinc/78/34/42/608783442.db2.gz MLUGFIPUYRLVAP-JSGCOSHPSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1C[C@H](c2ccccc2)CN1c1cnccc1-c1nn[n-]n1 ZINC000824899656 608783443 /nfs/dbraw/zinc/78/34/43/608783443.db2.gz MLUGFIPUYRLVAP-JSGCOSHPSA-N -1 3 306.373 2.644 20 0 DFADHM CCCCO[C@H]1C[C@H](Nc2cnccc2-c2nnn[n-]2)C1(C)C ZINC000825290909 608788839 /nfs/dbraw/zinc/78/88/39/608788839.db2.gz JXEFTNDGGBXSNH-KBPBESRZSA-N -1 3 316.409 2.657 20 0 DFADHM CCCCO[C@H]1C[C@H](Nc2cnccc2-c2nn[n-]n2)C1(C)C ZINC000825290909 608788843 /nfs/dbraw/zinc/78/88/43/608788843.db2.gz JXEFTNDGGBXSNH-KBPBESRZSA-N -1 3 316.409 2.657 20 0 DFADHM c1ccc(CC2(CNc3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826520650 608795188 /nfs/dbraw/zinc/79/51/88/608795188.db2.gz OWHYQHIYNVPJTQ-UHFFFAOYSA-N -1 3 306.373 2.697 20 0 DFADHM c1ccc(CC2(CNc3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826520650 608795189 /nfs/dbraw/zinc/79/51/89/608795189.db2.gz OWHYQHIYNVPJTQ-UHFFFAOYSA-N -1 3 306.373 2.697 20 0 DFADHM CN(Cc1ccc(Cl)c(F)c1)c1cnccc1-c1nnn[n-]1 ZINC000825965997 608795683 /nfs/dbraw/zinc/79/56/83/608795683.db2.gz JNTMWROUBVZDAG-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1ccc(Cl)c(F)c1)c1cnccc1-c1nn[n-]n1 ZINC000825965997 608795684 /nfs/dbraw/zinc/79/56/84/608795684.db2.gz JNTMWROUBVZDAG-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM FC(F)(F)c1cccnc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826368781 608866896 /nfs/dbraw/zinc/86/68/96/608866896.db2.gz AYLJUJVQWLXNMN-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM c1c(CNc2cccc(-c3nnn[n-]3)c2)[nH]nc1-c1ccccc1 ZINC000826519290 608869408 /nfs/dbraw/zinc/86/94/08/608869408.db2.gz RYHGZIVGGQQFEZ-UHFFFAOYSA-N -1 3 317.356 2.869 20 0 DFADHM c1c(CNc2cccc(-c3nn[n-]n3)c2)[nH]nc1-c1ccccc1 ZINC000826519290 608869409 /nfs/dbraw/zinc/86/94/09/608869409.db2.gz RYHGZIVGGQQFEZ-UHFFFAOYSA-N -1 3 317.356 2.869 20 0 DFADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824079239 609194696 /nfs/dbraw/zinc/19/46/96/609194696.db2.gz NNBLLPUDYQBUTE-NEPJUHHUSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824079239 609194698 /nfs/dbraw/zinc/19/46/98/609194698.db2.gz NNBLLPUDYQBUTE-NEPJUHHUSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824243743 609207976 /nfs/dbraw/zinc/20/79/76/609207976.db2.gz NHKKRBSASWEPFH-DGCLKSJQSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824243743 609207978 /nfs/dbraw/zinc/20/79/78/609207978.db2.gz NHKKRBSASWEPFH-DGCLKSJQSA-N -1 3 316.409 2.530 20 0 DFADHM C[C@H](Nc1cnn(CC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662639 609247021 /nfs/dbraw/zinc/24/70/21/609247021.db2.gz OQGVYECLPAJUMU-VIFPVBQESA-N -1 3 319.319 2.501 20 0 DFADHM C[C@H](Nc1cnn(CC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662639 609247023 /nfs/dbraw/zinc/24/70/23/609247023.db2.gz OQGVYECLPAJUMU-VIFPVBQESA-N -1 3 319.319 2.501 20 0 DFADHM C[C@H](Nc1cnn(CC2CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824663373 609253061 /nfs/dbraw/zinc/25/30/61/609253061.db2.gz YPISQSUCAMXFBM-NSHDSACASA-N -1 3 309.377 2.646 20 0 DFADHM C[C@H](Nc1cnn(CC2CC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824663373 609253063 /nfs/dbraw/zinc/25/30/63/609253063.db2.gz YPISQSUCAMXFBM-NSHDSACASA-N -1 3 309.377 2.646 20 0 DFADHM CC1(C)CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC(C)(C)C1 ZINC000824790757 609259448 /nfs/dbraw/zinc/25/94/48/609259448.db2.gz QFUVNPBMSKIUJP-UHFFFAOYSA-N -1 3 316.409 2.530 20 0 DFADHM CC1(C)CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC(C)(C)C1 ZINC000824790757 609259450 /nfs/dbraw/zinc/25/94/50/609259450.db2.gz QFUVNPBMSKIUJP-UHFFFAOYSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)(C)c1nnc(NCc2ccc(-c3nnn[n-]3)s2)s1 ZINC000824141916 609265876 /nfs/dbraw/zinc/26/58/76/609265876.db2.gz OIEIJSFOBSRAJB-UHFFFAOYSA-N -1 3 321.435 2.689 20 0 DFADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824926728 609288184 /nfs/dbraw/zinc/28/81/84/609288184.db2.gz LLIRPLDKBMCGQF-MWLCHTKSSA-N -1 3 319.796 2.829 20 0 DFADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824926728 609288186 /nfs/dbraw/zinc/28/81/86/609288186.db2.gz LLIRPLDKBMCGQF-MWLCHTKSSA-N -1 3 319.796 2.829 20 0 DFADHM CC[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(C)C ZINC000825133571 609289483 /nfs/dbraw/zinc/28/94/83/609289483.db2.gz NVWRUMCHODYEJF-GFCCVEGCSA-N -1 3 307.785 2.685 20 0 DFADHM CC[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(C)C ZINC000825133571 609289484 /nfs/dbraw/zinc/28/94/84/609289484.db2.gz NVWRUMCHODYEJF-GFCCVEGCSA-N -1 3 307.785 2.685 20 0 DFADHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@H]1F ZINC000824962110 609319543 /nfs/dbraw/zinc/31/95/43/609319543.db2.gz OGEVYRBWCPBAFA-ZWNOBZJWSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@H]1F ZINC000824962110 609319544 /nfs/dbraw/zinc/31/95/44/609319544.db2.gz OGEVYRBWCPBAFA-ZWNOBZJWSA-N -1 3 312.352 2.599 20 0 DFADHM CC(C)(C)CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824093684 609319744 /nfs/dbraw/zinc/31/97/44/609319744.db2.gz JOKNMDTYTJJFGG-UHFFFAOYSA-N -1 3 315.356 2.650 20 0 DFADHM Cc1csc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826321084 609325522 /nfs/dbraw/zinc/32/55/22/609325522.db2.gz PPYYBVWYMASTSE-VIFPVBQESA-N -1 3 318.381 2.622 20 0 DFADHM Cc1csc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826321084 609325524 /nfs/dbraw/zinc/32/55/24/609325524.db2.gz PPYYBVWYMASTSE-VIFPVBQESA-N -1 3 318.381 2.622 20 0 DFADHM Cc1occc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826342721 609331053 /nfs/dbraw/zinc/33/10/53/609331053.db2.gz XDQPZUDPZWUUNZ-SECBINFHSA-N -1 3 301.325 2.758 20 0 DFADHM CC(C)[C@@H](C)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824192462 609350175 /nfs/dbraw/zinc/35/01/75/609350175.db2.gz JZHNWZDUJNWYMA-SNVBAGLBSA-N -1 3 315.356 2.648 20 0 DFADHM Cn1nc(C2CCCC2)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826365778 609383517 /nfs/dbraw/zinc/38/35/17/609383517.db2.gz CQGQSGZFRUABTL-UHFFFAOYSA-N -1 3 323.404 2.870 20 0 DFADHM Cn1nc(C2CCCC2)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826365778 609383520 /nfs/dbraw/zinc/38/35/20/609383520.db2.gz CQGQSGZFRUABTL-UHFFFAOYSA-N -1 3 323.404 2.870 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC000826262660 609390654 /nfs/dbraw/zinc/39/06/54/609390654.db2.gz UVWOMOCCDHRCMI-DIFFPNOSSA-N -1 3 312.421 2.895 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC000826262660 609390656 /nfs/dbraw/zinc/39/06/56/609390656.db2.gz UVWOMOCCDHRCMI-DIFFPNOSSA-N -1 3 312.421 2.895 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824797155 609392472 /nfs/dbraw/zinc/39/24/72/609392472.db2.gz WFWICNZVPITEHF-SNVBAGLBSA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824797155 609392475 /nfs/dbraw/zinc/39/24/75/609392475.db2.gz WFWICNZVPITEHF-SNVBAGLBSA-N -1 3 318.352 2.875 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N(C)Cc1ccsc1 ZINC000824013995 609419587 /nfs/dbraw/zinc/41/95/87/609419587.db2.gz ALNJBFKYCXBLLN-UHFFFAOYSA-N -1 3 313.386 2.767 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N(C)Cc1ccsc1 ZINC000824013995 609419588 /nfs/dbraw/zinc/41/95/88/609419588.db2.gz ALNJBFKYCXBLLN-UHFFFAOYSA-N -1 3 313.386 2.767 20 0 DFADHM O=C(Oc1cc(Cl)ccc1Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826468559 609419732 /nfs/dbraw/zinc/41/97/32/609419732.db2.gz XFEFBHZXOXXUOP-UHFFFAOYSA-N -1 3 324.127 2.721 20 0 DFADHM O=C(Oc1cc(Cl)ccc1Cl)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826468559 609419734 /nfs/dbraw/zinc/41/97/34/609419734.db2.gz XFEFBHZXOXXUOP-UHFFFAOYSA-N -1 3 324.127 2.721 20 0 DFADHM CC(C)c1cccc(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000824347740 609445590 /nfs/dbraw/zinc/44/55/90/609445590.db2.gz MEVFZLMRGXIBGJ-UHFFFAOYSA-N -1 3 310.361 2.595 20 0 DFADHM CC(C)c1cccc(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000824347740 609445591 /nfs/dbraw/zinc/44/55/91/609445591.db2.gz MEVFZLMRGXIBGJ-UHFFFAOYSA-N -1 3 310.361 2.595 20 0 DFADHM Clc1ccc(-n2ccc(NCC3CC3)n2)c(-c2nnn[n-]2)c1 ZINC000826351557 609446583 /nfs/dbraw/zinc/44/65/83/609446583.db2.gz RACAMZFMVFORCD-UHFFFAOYSA-N -1 3 315.768 2.528 20 0 DFADHM Clc1ccc(-n2ccc(NCC3CC3)n2)c(-c2nn[n-]n2)c1 ZINC000826351557 609446587 /nfs/dbraw/zinc/44/65/87/609446587.db2.gz RACAMZFMVFORCD-UHFFFAOYSA-N -1 3 315.768 2.528 20 0 DFADHM COC(=O)[C@H](CC(C)(C)C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000826104265 609448493 /nfs/dbraw/zinc/44/84/93/609448493.db2.gz SVBCZHFBPGHDEL-LBPRGKRZSA-N -1 3 320.418 2.937 20 0 DFADHM COC(=O)[C@H](CC(C)(C)C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000826104265 609448495 /nfs/dbraw/zinc/44/84/95/609448495.db2.gz SVBCZHFBPGHDEL-LBPRGKRZSA-N -1 3 320.418 2.937 20 0 DFADHM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824925501 609468398 /nfs/dbraw/zinc/46/83/98/609468398.db2.gz DHPHTPWTLWHQHT-WCBMZHEXSA-N -1 3 305.769 2.895 20 0 DFADHM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824925501 609468401 /nfs/dbraw/zinc/46/84/01/609468401.db2.gz DHPHTPWTLWHQHT-WCBMZHEXSA-N -1 3 305.769 2.895 20 0 DFADHM C[C@@H](NC(=O)[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824507052 609475625 /nfs/dbraw/zinc/47/56/25/609475625.db2.gz SLHIYRFXAGEKHG-QWHCGFSZSA-N -1 3 321.384 2.848 20 0 DFADHM C[C@@H](NC(=O)[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824507052 609475628 /nfs/dbraw/zinc/47/56/28/609475628.db2.gz SLHIYRFXAGEKHG-QWHCGFSZSA-N -1 3 321.384 2.848 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nc2c(s1)CCC2 ZINC000826278786 609479495 /nfs/dbraw/zinc/47/94/95/609479495.db2.gz SSTAQWLSTQFUQO-UHFFFAOYSA-N -1 3 312.402 2.732 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nc2c(s1)CCC2 ZINC000826278786 609479497 /nfs/dbraw/zinc/47/94/97/609479497.db2.gz SSTAQWLSTQFUQO-UHFFFAOYSA-N -1 3 312.402 2.732 20 0 DFADHM CO[C@H]1Cc2ccc(NCc3ccccc3-c3nnn[n-]3)cc2C1 ZINC000826147442 609481119 /nfs/dbraw/zinc/48/11/19/609481119.db2.gz XRNVMUPRJAMJQP-INIZCTEOSA-N -1 3 321.384 2.592 20 0 DFADHM CO[C@H]1Cc2ccc(NCc3ccccc3-c3nn[n-]n3)cc2C1 ZINC000826147442 609481121 /nfs/dbraw/zinc/48/11/21/609481121.db2.gz XRNVMUPRJAMJQP-INIZCTEOSA-N -1 3 321.384 2.592 20 0 DFADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000824925176 609491891 /nfs/dbraw/zinc/49/18/91/609491891.db2.gz BETZDDJAAUFGBW-PWSUYJOCSA-N -1 3 316.409 2.798 20 0 DFADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000824925176 609491892 /nfs/dbraw/zinc/49/18/92/609491892.db2.gz BETZDDJAAUFGBW-PWSUYJOCSA-N -1 3 316.409 2.798 20 0 DFADHM CN(C[C@H]1CC=CCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825908614 609495172 /nfs/dbraw/zinc/49/51/72/609495172.db2.gz JZIXQXAJOBHDAG-LBPRGKRZSA-N -1 3 312.377 2.687 20 0 DFADHM CN(C[C@H]1CC=CCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825908614 609495173 /nfs/dbraw/zinc/49/51/73/609495173.db2.gz JZIXQXAJOBHDAG-LBPRGKRZSA-N -1 3 312.377 2.687 20 0 DFADHM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824927812 609507267 /nfs/dbraw/zinc/50/72/67/609507267.db2.gz QINFHYMFNCDCFW-WCBMZHEXSA-N -1 3 305.769 2.895 20 0 DFADHM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824927812 609507269 /nfs/dbraw/zinc/50/72/69/609507269.db2.gz QINFHYMFNCDCFW-WCBMZHEXSA-N -1 3 305.769 2.895 20 0 DFADHM Fc1cccc(F)c1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000826377468 609515378 /nfs/dbraw/zinc/51/53/78/609515378.db2.gz SZMIAQBHMCMRMH-UHFFFAOYSA-N -1 3 305.313 2.832 20 0 DFADHM Fc1cccc(F)c1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000826377468 609515380 /nfs/dbraw/zinc/51/53/80/609515380.db2.gz SZMIAQBHMCMRMH-UHFFFAOYSA-N -1 3 305.313 2.832 20 0 DFADHM Cc1ccnc(NCc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826314144 609518882 /nfs/dbraw/zinc/51/88/82/609518882.db2.gz IPHKMLAHZWCNRV-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccnc(NCc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826314144 609518885 /nfs/dbraw/zinc/51/88/85/609518885.db2.gz IPHKMLAHZWCNRV-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825051896 609521054 /nfs/dbraw/zinc/52/10/54/609521054.db2.gz UKYCRTQRABFBDR-VXGBXAGGSA-N -1 3 301.394 2.507 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825051896 609521056 /nfs/dbraw/zinc/52/10/56/609521056.db2.gz UKYCRTQRABFBDR-VXGBXAGGSA-N -1 3 301.394 2.507 20 0 DFADHM Cc1ccnc(Sc2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000826314780 609525833 /nfs/dbraw/zinc/52/58/33/609525833.db2.gz MIFMJTBYZBXENC-UHFFFAOYSA-N -1 3 305.313 3.000 20 0 DFADHM Cc1ccnc(Sc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826314780 609525835 /nfs/dbraw/zinc/52/58/35/609525835.db2.gz MIFMJTBYZBXENC-UHFFFAOYSA-N -1 3 305.313 3.000 20 0 DFADHM Cc1ccnc(N2CCC[C@@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826311165 609527464 /nfs/dbraw/zinc/52/74/64/609527464.db2.gz VWYLVQZPCKOOCL-OAHLLOKOSA-N -1 3 320.400 2.782 20 0 DFADHM Cc1ccnc(N2CCC[C@@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826311165 609527467 /nfs/dbraw/zinc/52/74/67/609527467.db2.gz VWYLVQZPCKOOCL-OAHLLOKOSA-N -1 3 320.400 2.782 20 0 DFADHM Cc1ccnc(NCC2(c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826313708 609527826 /nfs/dbraw/zinc/52/78/26/609527826.db2.gz QRXNSXDZIAHCAJ-UHFFFAOYSA-N -1 3 306.373 2.714 20 0 DFADHM Cc1ccnc(NCC2(c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826313708 609527828 /nfs/dbraw/zinc/52/78/28/609527828.db2.gz QRXNSXDZIAHCAJ-UHFFFAOYSA-N -1 3 306.373 2.714 20 0 DFADHM CSCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826228229 609530229 /nfs/dbraw/zinc/53/02/29/609530229.db2.gz JAMGBIUZRJODHJ-UHFFFAOYSA-N -1 3 319.434 2.520 20 0 DFADHM CSCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826228229 609530231 /nfs/dbraw/zinc/53/02/31/609530231.db2.gz JAMGBIUZRJODHJ-UHFFFAOYSA-N -1 3 319.434 2.520 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825052738 609551626 /nfs/dbraw/zinc/55/16/26/609551626.db2.gz YGZWVSBKADDYDR-VHSXEESVSA-N -1 3 305.357 2.651 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825052738 609551627 /nfs/dbraw/zinc/55/16/27/609551627.db2.gz YGZWVSBKADDYDR-VHSXEESVSA-N -1 3 305.357 2.651 20 0 DFADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCCOC1 ZINC000824650860 609561991 /nfs/dbraw/zinc/56/19/91/609561991.db2.gz VBBHUYYFWLJHBR-UWVGGRQHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCCOC1 ZINC000824650860 609561993 /nfs/dbraw/zinc/56/19/93/609561993.db2.gz VBBHUYYFWLJHBR-UWVGGRQHSA-N -1 3 307.785 2.747 20 0 DFADHM CCS[C@@H]1CCC[C@H]1Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825668937 609567736 /nfs/dbraw/zinc/56/77/36/609567736.db2.gz MMUYSXCEHGMHGG-GHMZBOCLSA-N -1 3 304.423 2.656 20 0 DFADHM CCS[C@@H]1CCC[C@H]1Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825668937 609567739 /nfs/dbraw/zinc/56/77/39/609567739.db2.gz MMUYSXCEHGMHGG-GHMZBOCLSA-N -1 3 304.423 2.656 20 0 DFADHM Cc1ccnc(N2CC[C@H](c3ccccc3)[C@@H]2C)c1-c1nnn[n-]1 ZINC000826310050 609572410 /nfs/dbraw/zinc/57/24/10/609572410.db2.gz JYWNLJIHSROWRB-ZFWWWQNUSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccnc(N2CC[C@H](c3ccccc3)[C@@H]2C)c1-c1nn[n-]n1 ZINC000826310050 609572413 /nfs/dbraw/zinc/57/24/13/609572413.db2.gz JYWNLJIHSROWRB-ZFWWWQNUSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1c(Cl)cnc(NC[C@@H]2CCCS2)c1-c1nnn[n-]1 ZINC000826239306 609573579 /nfs/dbraw/zinc/57/35/79/609573579.db2.gz CEDYCHPUCIZVIJ-QMMMGPOBSA-N -1 3 310.814 2.531 20 0 DFADHM Cc1c(Cl)cnc(NC[C@@H]2CCCS2)c1-c1nn[n-]n1 ZINC000826239306 609573580 /nfs/dbraw/zinc/57/35/80/609573580.db2.gz 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20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)CCC(F)F)c1[O-] ZINC000588096268 398482405 /nfs/dbraw/zinc/48/24/05/398482405.db2.gz WCUTYNHDWMCTPY-UHFFFAOYSA-N -1 3 307.680 2.816 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cncc(F)c2)c1[O-] ZINC000588098016 398482420 /nfs/dbraw/zinc/48/24/20/398482420.db2.gz AEAOILNROMHPPE-UHFFFAOYSA-N -1 3 324.695 2.619 20 0 DFADHM CO[N-]C(=O)/C=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000053720646 282409159 /nfs/dbraw/zinc/40/91/59/282409159.db2.gz OYOLRWHWFJHVAM-BQYQJAHWSA-N -1 3 309.728 2.664 20 0 DFADHM CO[C@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C[C@@H]1C ZINC000459500030 299122438 /nfs/dbraw/zinc/12/24/38/299122438.db2.gz DGGNRAJWEBNUQQ-BBRMVZONSA-N -1 3 313.401 2.706 20 0 DFADHM CO[C@@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C[C@H]1C ZINC000459500034 299122547 /nfs/dbraw/zinc/12/25/47/299122547.db2.gz DGGNRAJWEBNUQQ-CZUORRHYSA-N -1 3 313.401 2.706 20 0 DFADHM COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1cc([O-])ccc1Cl ZINC000592831080 398491797 /nfs/dbraw/zinc/49/17/97/398491797.db2.gz 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Cc1cccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1Cl ZINC000075082070 282547250 /nfs/dbraw/zinc/54/72/50/282547250.db2.gz NISGVHFNOQNGSE-UHFFFAOYSA-N -1 3 324.789 2.548 20 0 DFADHM COc1cc(C(=O)NC[C@H](C)Oc2ccc(C)cc2)ccc1[O-] ZINC000272620066 210020206 /nfs/dbraw/zinc/02/02/06/210020206.db2.gz QQDPCJPXLFYERO-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM CC(C)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000068962403 398541050 /nfs/dbraw/zinc/54/10/50/398541050.db2.gz MIYVOTCYCLDITO-UHFFFAOYSA-N -1 3 321.384 2.920 20 0 DFADHM CC(C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000068962403 398541052 /nfs/dbraw/zinc/54/10/52/398541052.db2.gz MIYVOTCYCLDITO-UHFFFAOYSA-N -1 3 321.384 2.920 20 0 DFADHM CCOc1cc(CN2CC(c3nc(C)no3)C2)cc(Cl)c1[O-] ZINC000459606907 299147032 /nfs/dbraw/zinc/14/70/32/299147032.db2.gz MYNHDHAFPPJAGQ-UHFFFAOYSA-N -1 3 323.780 2.735 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](c2ccc(F)cc2)C1 ZINC000034775358 398548212 /nfs/dbraw/zinc/54/82/12/398548212.db2.gz VERVZQBEDKZAQC-LBPRGKRZSA-N -1 3 301.317 2.867 20 0 DFADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(Cl)o2)CC1 ZINC000091923193 398548493 /nfs/dbraw/zinc/54/84/93/398548493.db2.gz FFMLOGSRBVIZOU-UHFFFAOYSA-N -1 3 320.776 2.597 20 0 DFADHM Cc1c(NC(=O)c2c([O-])cccc2O)cnn1-c1ccccc1 ZINC000092125634 398559454 /nfs/dbraw/zinc/55/94/54/398559454.db2.gz FWWRBNDEOGSVPG-UHFFFAOYSA-N -1 3 309.325 2.844 20 0 DFADHM COc1cc(Cl)ccc1CNC(=O)c1c([O-])cccc1O ZINC000092121423 398559501 /nfs/dbraw/zinc/55/95/01/398559501.db2.gz AJBKWZPNEOBYAC-UHFFFAOYSA-N -1 3 307.733 2.690 20 0 DFADHM CC(=O)Nc1cc(NC(=O)c2c([O-])cccc2O)ccc1Cl ZINC000092120025 398560071 /nfs/dbraw/zinc/56/00/71/398560071.db2.gz NWKBHTKXCSCMJL-UHFFFAOYSA-N -1 3 320.732 2.962 20 0 DFADHM CN(C)c1nc2ccc(NC(=O)c3c([O-])cccc3O)cc2o1 ZINC000092124542 398560108 /nfs/dbraw/zinc/56/01/08/398560108.db2.gz KRTXOMWWFPXHQB-UHFFFAOYSA-N -1 3 313.313 2.557 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)CCCc2cccnc2)n1 ZINC000459632063 299152286 /nfs/dbraw/zinc/15/22/86/299152286.db2.gz 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318.373 2.794 20 0 DFADHM CCC(CC)(C(=O)Nc1ncccc1[O-])C(=O)OC(C)(C)C ZINC000593595325 398659320 /nfs/dbraw/zinc/65/93/20/398659320.db2.gz NXNVDFIYPDTISL-UHFFFAOYSA-N -1 3 308.378 2.874 20 0 DFADHM CC(C)c1noc(CSc2n[n-]c(-c3ccccn3)n2)n1 ZINC000172161163 198049936 /nfs/dbraw/zinc/04/99/36/198049936.db2.gz UHNMYTHIUFEIAX-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM COc1ccc(CCC(=O)[N-]OCCSC)cc1Cl ZINC000280085633 215365722 /nfs/dbraw/zinc/36/57/22/215365722.db2.gz SSRNDOJNMBPIHW-UHFFFAOYSA-N -1 3 303.811 2.692 20 0 DFADHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000593620728 398663521 /nfs/dbraw/zinc/66/35/21/398663521.db2.gz FUXMQEACIFUYPS-VXGBXAGGSA-N -1 3 321.414 2.917 20 0 DFADHM CCSc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000172369833 198086747 /nfs/dbraw/zinc/08/67/47/198086747.db2.gz OMIUQWNZWDAKAX-GFCCVEGCSA-N -1 3 301.433 2.719 20 0 DFADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(F)c(Cl)c1 ZINC000277200823 213361270 /nfs/dbraw/zinc/36/12/70/213361270.db2.gz 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CCCc1noc(CO[N-]C(=O)CCCc2ccccc2)n1 ZINC000174140499 198296337 /nfs/dbraw/zinc/29/63/37/198296337.db2.gz DOPMRJRGJQAICH-UHFFFAOYSA-N -1 3 303.362 2.593 20 0 DFADHM CCOC1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000590960531 398708891 /nfs/dbraw/zinc/70/88/91/398708891.db2.gz KDNDCIVLKQGOIE-UHFFFAOYSA-N -1 3 319.401 2.747 20 0 DFADHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174881431 198397253 /nfs/dbraw/zinc/39/72/53/198397253.db2.gz WIITUZAWDYZRDP-VIFPVBQESA-N -1 3 305.353 2.699 20 0 DFADHM CCN(CC)C(=O)C1(NC(=O)c2cccc([O-])c2)CCCCC1 ZINC000182163848 199396458 /nfs/dbraw/zinc/39/64/58/199396458.db2.gz FYGMYYFSFAUOHQ-UHFFFAOYSA-N -1 3 318.417 2.693 20 0 DFADHM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc([O-])c2F)c1C ZINC000128711891 282990514 /nfs/dbraw/zinc/99/05/14/282990514.db2.gz PPJRHLBHFYGTTF-UHFFFAOYSA-N -1 3 320.320 2.905 20 0 DFADHM O=C(Nc1cccc([O-])c1F)c1cccc(N2CCCC2=O)c1 ZINC000128734664 282991182 /nfs/dbraw/zinc/99/11/82/282991182.db2.gz UIFXMZQWMMHEAO-UHFFFAOYSA-N -1 3 314.316 2.910 20 0 DFADHM CC[S@@](=O)c1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000129038005 283000551 /nfs/dbraw/zinc/00/05/51/283000551.db2.gz XKXUJIXJNRXIKR-NRFANRHFSA-N -1 3 307.346 2.911 20 0 DFADHM Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cccc([O-])c1F ZINC000129117280 283003120 /nfs/dbraw/zinc/00/31/20/283003120.db2.gz KMTKPHFGXGQHRQ-UHFFFAOYSA-N -1 3 313.279 2.921 20 0 DFADHM O=C(Nc1cccc([O-])c1F)c1ccc2c(c1)NC(=O)CS2 ZINC000129431775 283014979 /nfs/dbraw/zinc/01/49/79/283014979.db2.gz MNOJFBNPGFEADG-UHFFFAOYSA-N -1 3 318.329 2.828 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)[n-]1 ZINC000591077960 398724071 /nfs/dbraw/zinc/72/40/71/398724071.db2.gz PWWRPTDYLAFJFF-PXAZEXFGSA-N -1 3 313.357 2.719 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c[n-]1 ZINC000591077960 398724074 /nfs/dbraw/zinc/72/40/74/398724074.db2.gz PWWRPTDYLAFJFF-PXAZEXFGSA-N -1 3 313.357 2.719 20 0 DFADHM O=C(CCCNC(=O)c1ccsc1)Nc1cccc([O-])c1F ZINC000129669069 283024658 /nfs/dbraw/zinc/02/46/58/283024658.db2.gz HEZFHTZURUDBGL-UHFFFAOYSA-N -1 3 322.361 2.742 20 0 DFADHM [O-]c1ccc(-c2noc([C@H]3CCN(CC(F)(F)F)C3)n2)cc1 ZINC000280278610 215506742 /nfs/dbraw/zinc/50/67/42/215506742.db2.gz LNFVVWSRXCCBOT-JTQLQIEISA-N -1 3 313.279 2.794 20 0 DFADHM CC[C@@H](C)CC(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461234273 299217938 /nfs/dbraw/zinc/21/79/38/299217938.db2.gz BUOYYERFCWGYCZ-SNVBAGLBSA-N -1 3 306.797 2.932 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H](c1ccccc1)C1CC1 ZINC000130037992 283037698 /nfs/dbraw/zinc/03/76/98/283037698.db2.gz AZCIBRQETIZYAQ-OAHLLOKOSA-N -1 3 319.368 2.999 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H](c1ccccc1)C1CC1 ZINC000130037992 283037703 /nfs/dbraw/zinc/03/77/03/283037703.db2.gz AZCIBRQETIZYAQ-OAHLLOKOSA-N -1 3 319.368 2.999 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H](c1ccccc1)C1CC1 ZINC000130037992 283037706 /nfs/dbraw/zinc/03/77/06/283037706.db2.gz AZCIBRQETIZYAQ-OAHLLOKOSA-N -1 3 319.368 2.999 20 0 DFADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(C1CC1)C1CCCC1 ZINC000111414295 398728000 /nfs/dbraw/zinc/72/80/00/398728000.db2.gz ACBOOKOUTNLPHG-UHFFFAOYSA-N -1 3 313.357 2.509 20 0 DFADHM CCOC(=O)C1CCC(NC(=O)c2cccc(C)c2[O-])CC1 ZINC000130260034 283044009 /nfs/dbraw/zinc/04/40/09/283044009.db2.gz ZOTSOWOPGPDGAA-UHFFFAOYSA-N -1 3 305.374 2.552 20 0 DFADHM C[C@@H]1[C@H](CO)CCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332496325 235035924 /nfs/dbraw/zinc/03/59/24/235035924.db2.gz CABIKUUMBCIWMK-DOMZBBRYSA-N -1 3 303.402 2.504 20 0 DFADHM CC(C)(C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112628303 398735202 /nfs/dbraw/zinc/73/52/02/398735202.db2.gz VWERGPZUUFWDIC-UHFFFAOYSA-N -1 3 323.190 2.819 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1ccc(F)cc1F ZINC000462487398 299225982 /nfs/dbraw/zinc/22/59/82/299225982.db2.gz FOVUTWNDUNZKGS-WFASDCNBSA-N -1 3 323.364 2.874 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCSC1)c1cccc(Cl)c1F ZINC000287465193 219541731 /nfs/dbraw/zinc/54/17/31/219541731.db2.gz PIFVOVSOGNVSLT-SECBINFHSA-N -1 3 323.842 2.901 20 0 DFADHM Cc1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)cn(C)c1=O ZINC000332591370 235160853 /nfs/dbraw/zinc/16/08/53/235160853.db2.gz KMEWTYDLRGYUSY-UHFFFAOYSA-N -1 3 312.369 2.530 20 0 DFADHM COC(=O)CN(C(=O)c1ccc(C)c(C)c1[O-])C1CCCC1 ZINC000271448733 291061810 /nfs/dbraw/zinc/06/18/10/291061810.db2.gz RWNGORJJBCXVMN-UHFFFAOYSA-N -1 3 305.374 2.567 20 0 DFADHM CCCC[C@H]([N-]S(=O)(=O)CCC(C)C)C(=O)OC(C)(C)C ZINC000462663928 299229098 /nfs/dbraw/zinc/22/90/98/299229098.db2.gz RRLKLYCKJBPOJC-ZDUSSCGKSA-N -1 3 321.483 2.852 20 0 DFADHM Cc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3)ccc2[nH]1 ZINC000074819777 191366096 /nfs/dbraw/zinc/36/60/96/191366096.db2.gz QDMZOCPOHITKFR-UHFFFAOYSA-N -1 3 301.371 2.981 20 0 DFADHM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2[nH]1 ZINC000074819777 191366099 /nfs/dbraw/zinc/36/60/99/191366099.db2.gz QDMZOCPOHITKFR-UHFFFAOYSA-N -1 3 301.371 2.981 20 0 DFADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@@H](CCC)C(=O)OC(C)(C)C ZINC000462683282 299229381 /nfs/dbraw/zinc/22/93/81/299229381.db2.gz DYWYAVWUCLKQKX-OLZOCXBDSA-N -1 3 321.483 2.852 20 0 DFADHM Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccccc1[O-] ZINC000047303989 398744037 /nfs/dbraw/zinc/74/40/37/398744037.db2.gz ZEMRRUCXBLDOLB-UHFFFAOYSA-N -1 3 312.354 2.866 20 0 DFADHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000462714562 299230151 /nfs/dbraw/zinc/23/01/51/299230151.db2.gz HCQMRAQGKYSOTJ-CYBMUJFWSA-N -1 3 323.389 2.880 20 0 DFADHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000462723089 299230223 /nfs/dbraw/zinc/23/02/23/299230223.db2.gz ZEMQRBZBFKFBMG-ZDUSSCGKSA-N -1 3 323.389 2.880 20 0 DFADHM CC(C)c1cc(C[N-]S(=O)(=O)Cc2ccc(F)cc2)on1 ZINC000114499404 398745582 /nfs/dbraw/zinc/74/55/82/398745582.db2.gz ZCUYGFDDMMPFHJ-UHFFFAOYSA-N -1 3 312.366 2.557 20 0 DFADHM CCC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000591324099 398749068 /nfs/dbraw/zinc/74/90/68/398749068.db2.gz MMJJKKRFDOXQHX-VIFPVBQESA-N -1 3 319.810 2.594 20 0 DFADHM CCCCCc1nnc([N-]C(=O)c2cc(OC)ccn2)s1 ZINC000115974564 398756717 /nfs/dbraw/zinc/75/67/17/398756717.db2.gz NHKUNNXEFQBINP-UHFFFAOYSA-N -1 3 306.391 2.927 20 0 DFADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000132876093 283132810 /nfs/dbraw/zinc/13/28/10/283132810.db2.gz JMVYYYBIRNJRIF-UHFFFAOYSA-N -1 3 319.382 2.916 20 0 DFADHM COC(=O)[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H]2CCCC[C@@H]12 ZINC000598161759 398763034 /nfs/dbraw/zinc/76/30/34/398763034.db2.gz BWQAATRJENVDDL-GUTXKFCHSA-N -1 3 317.385 2.586 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)CC1CCCCC1)c1ccc(C)o1 ZINC000080788716 192190117 /nfs/dbraw/zinc/19/01/17/192190117.db2.gz HYLDCZGNMFOFFW-CQSZACIVSA-N -1 3 315.435 2.775 20 0 DFADHM O=C(CCc1ccccc1F)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000074803963 398768816 /nfs/dbraw/zinc/76/88/16/398768816.db2.gz BNCFOIZCAGSLMB-UHFFFAOYSA-N -1 3 311.320 2.577 20 0 DFADHM O=C(CCc1ccccc1F)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000074803963 398768819 /nfs/dbraw/zinc/76/88/19/398768819.db2.gz BNCFOIZCAGSLMB-UHFFFAOYSA-N -1 3 311.320 2.577 20 0 DFADHM COCCOC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000075196362 398790115 /nfs/dbraw/zinc/79/01/15/398790115.db2.gz QAAYNZWNEYZFCJ-CQSZACIVSA-N -1 3 321.417 2.641 20 0 DFADHM COc1cc(C(=O)NC[C@H](C)Oc2cccc(C)c2)ccc1[O-] ZINC000276937542 213189919 /nfs/dbraw/zinc/18/99/19/213189919.db2.gz PDVNAUJWZGTFAN-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM Cc1cc(C(=O)N[C@@H](CC(=O)OC(C)C)C(C)C)ccc1[O-] ZINC000594407493 398794228 /nfs/dbraw/zinc/79/42/28/398794228.db2.gz KFGRIEIBNBENFJ-AWEZNQCLSA-N -1 3 307.390 2.797 20 0 DFADHM CC(C)(C)OC(=O)CN(C(=O)c1cccc([O-])c1)C1CCC1 ZINC000594412063 398794887 /nfs/dbraw/zinc/79/48/87/398794887.db2.gz KPOYRPLTJFCPHJ-UHFFFAOYSA-N -1 3 305.374 2.729 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)c[nH]1 ZINC000122978588 398795172 /nfs/dbraw/zinc/79/51/72/398795172.db2.gz RIEKSNABWHMTTB-ZDUSSCGKSA-N -1 3 323.393 2.638 20 0 DFADHM CCC1(CC)[C@H](NC(=O)c2ccc([O-])c(OC)c2)C[C@@H]1OC ZINC000276875639 213149249 /nfs/dbraw/zinc/14/92/49/213149249.db2.gz FLWSGYSYJAIQTG-CABCVRRESA-N -1 3 307.390 2.724 20 0 DFADHM COc1cc(C(=O)N2CCSC[C@H]2C2CCC2)ccc1[O-] ZINC000416326484 295941836 /nfs/dbraw/zinc/94/18/36/295941836.db2.gz VCKKMQUMBAIXAZ-ZDUSSCGKSA-N -1 3 307.415 2.759 20 0 DFADHM Cc1ncccc1OC[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000416362279 295944798 /nfs/dbraw/zinc/94/47/98/295944798.db2.gz TVNDHHUPUQCOHE-OAHLLOKOSA-N -1 3 312.369 2.779 20 0 DFADHM C[C@H]1OCCC[C@H]1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000276813391 213109457 /nfs/dbraw/zinc/10/94/57/213109457.db2.gz ODXPUBSKLLPHEQ-RKDXNWHRSA-N -1 3 322.315 2.504 20 0 DFADHM C[C@H]1OCCC[C@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000276813391 213109461 /nfs/dbraw/zinc/10/94/61/213109461.db2.gz ODXPUBSKLLPHEQ-RKDXNWHRSA-N -1 3 322.315 2.504 20 0 DFADHM C[C@H]1OCCC[C@H]1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000276813391 213109464 /nfs/dbraw/zinc/10/94/64/213109464.db2.gz ODXPUBSKLLPHEQ-RKDXNWHRSA-N -1 3 322.315 2.504 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2nc(C)sc2C)c([O-])c1 ZINC000178839997 198939376 /nfs/dbraw/zinc/93/93/76/198939376.db2.gz IGLJZKIQCIAOQR-UHFFFAOYSA-N -1 3 320.370 2.895 20 0 DFADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(Cl)c(C)c1 ZINC000594462126 398806533 /nfs/dbraw/zinc/80/65/33/398806533.db2.gz KSIMMRHPFVGKES-UHFFFAOYSA-N -1 3 319.810 2.589 20 0 DFADHM Cc1ccc(C)c(N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000151284321 283280120 /nfs/dbraw/zinc/28/01/20/283280120.db2.gz WYGGSLZZGBOGMP-UHFFFAOYSA-N -1 3 310.397 2.971 20 0 DFADHM CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000416529134 295952480 /nfs/dbraw/zinc/95/24/80/295952480.db2.gz JCOXIBMDTOUZIE-MWLCHTKSSA-N -1 3 322.352 2.813 20 0 DFADHM Cc1ccc([O-])c(CN[C@H](C)c2nc(Cc3ccccc3)no2)n1 ZINC000276757775 213090254 /nfs/dbraw/zinc/09/02/54/213090254.db2.gz MHGKSDKSAXXKGR-CYBMUJFWSA-N -1 3 324.384 2.920 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CS[C@@H](C)C2)c1 ZINC000416589267 295956827 /nfs/dbraw/zinc/95/68/27/295956827.db2.gz LXAUPCNLJSUSDG-IUCAKERBSA-N -1 3 321.851 2.521 20 0 DFADHM COCC1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000416594391 295956982 /nfs/dbraw/zinc/95/69/82/295956982.db2.gz OZKVHIPSILEZHD-UHFFFAOYSA-N -1 3 323.867 2.885 20 0 DFADHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2c(C)cccc2[O-])C1 ZINC000179552637 199054269 /nfs/dbraw/zinc/05/42/69/199054269.db2.gz TVHOEHJADWVYSI-OCCSQVGLSA-N -1 3 318.417 2.924 20 0 DFADHM COc1c(F)ccc(F)c1C(=O)[N-]c1ncc(C(C)=O)s1 ZINC000151999377 283305810 /nfs/dbraw/zinc/30/58/10/283305810.db2.gz VLBQGFWWQUIYIK-UHFFFAOYSA-N -1 3 312.297 2.885 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H](O)C(C)C ZINC000416616135 295958739 /nfs/dbraw/zinc/95/87/39/295958739.db2.gz HNAMIPONAITXBU-WCQYABFASA-N -1 3 323.817 2.553 20 0 DFADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000051444840 398822667 /nfs/dbraw/zinc/82/26/67/398822667.db2.gz RGZDTCYFDCTNJM-KGLIPLIRSA-N -1 3 318.417 2.549 20 0 DFADHM CCOC(=O)c1ccc(CN[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)o1 ZINC000594540271 398818121 /nfs/dbraw/zinc/81/81/21/398818121.db2.gz VXWMYCIUSNQXRE-KGYLQXTDSA-N -1 3 323.389 2.681 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C(C)(C)C ZINC000416636820 295959803 /nfs/dbraw/zinc/95/98/03/295959803.db2.gz SLLDXUNPBZQUHG-RYUDHWBXSA-N -1 3 300.424 2.785 20 0 DFADHM Cc1ccc(NC(=O)[C@H](NC(=O)C(C)(C)C)C(C)C)c([O-])c1 ZINC000466948604 299269216 /nfs/dbraw/zinc/26/92/16/299269216.db2.gz IUNDUAYUVXTDOG-CQSZACIVSA-N -1 3 306.406 2.826 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2cc(F)ccc2OC)n1 ZINC000179926677 199095760 /nfs/dbraw/zinc/09/57/60/199095760.db2.gz KZFMIOUBIWYSQF-JTQLQIEISA-N -1 3 305.353 2.743 20 0 DFADHM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CC1)c1ccccn1 ZINC000131692519 398852739 /nfs/dbraw/zinc/85/27/39/398852739.db2.gz MVCBXXLXFPYUIF-UHFFFAOYSA-N -1 3 322.817 2.745 20 0 DFADHM O=C(CCOCc1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000132685288 398857364 /nfs/dbraw/zinc/85/73/64/398857364.db2.gz QJKYXKKITUULAX-UHFFFAOYSA-N -1 3 303.333 2.754 20 0 DFADHM COc1ccc(CCC(=O)NCc2ccc([O-])c(F)c2)cc1F ZINC000132698403 398857508 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ZINC000152962887 283346816 /nfs/dbraw/zinc/34/68/16/283346816.db2.gz XHRUDVYWQGPORJ-GJZGRUSLSA-N -1 3 319.430 2.546 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)c1coc(Br)c1 ZINC000133201125 398860088 /nfs/dbraw/zinc/86/00/88/398860088.db2.gz XQQIWNBEHHRQBE-UHFFFAOYSA-N -1 3 314.110 2.817 20 0 DFADHM COc1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c(Cl)c1 ZINC000594841911 398862838 /nfs/dbraw/zinc/86/28/38/398862838.db2.gz ACRMKWCGVDEUKH-UHFFFAOYSA-N -1 3 318.720 2.979 20 0 DFADHM COc1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c(Cl)c1 ZINC000594841911 398862839 /nfs/dbraw/zinc/86/28/39/398862839.db2.gz ACRMKWCGVDEUKH-UHFFFAOYSA-N -1 3 318.720 2.979 20 0 DFADHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(Cl)c1 ZINC000594841911 398862844 /nfs/dbraw/zinc/86/28/44/398862844.db2.gz ACRMKWCGVDEUKH-UHFFFAOYSA-N -1 3 318.720 2.979 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(-c2ccccc2)n[nH]1 ZINC000133225327 398860899 /nfs/dbraw/zinc/86/08/99/398860899.db2.gz VRIYBMWFNHOKRZ-UHFFFAOYSA-N -1 3 311.316 2.851 20 0 DFADHM 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COc1ccc([C@@H](C)NC(=O)c2c[n-]nc2-c2ccccn2)cc1 ZINC000352190581 286315466 /nfs/dbraw/zinc/31/54/66/286315466.db2.gz PIZQDUPBISYXQB-GFCCVEGCSA-N -1 3 322.368 2.971 20 0 DFADHM CC(=O)Nc1ccc(/C=C\C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000493280939 299748836 /nfs/dbraw/zinc/74/88/36/299748836.db2.gz BYYQDUCEVADMCB-POHAHGRESA-N -1 3 311.341 2.706 20 0 DFADHM Cc1sc2[n-]c(-c3cnc(N(C)C)cn3)nc(=O)c2c1C ZINC000352206148 286318566 /nfs/dbraw/zinc/31/85/66/286318566.db2.gz KNWHSEQXOKRVSI-UHFFFAOYSA-N -1 3 301.375 2.537 20 0 DFADHM O=c1[n-]c(-c2cn(Cc3ccccc3)nn2)nc2cc(F)ccc12 ZINC000352205572 286318620 /nfs/dbraw/zinc/31/86/20/286318620.db2.gz GVSOYULJBGPUHP-UHFFFAOYSA-N -1 3 321.315 2.781 20 0 DFADHM COC[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000352223904 286322149 /nfs/dbraw/zinc/32/21/49/286322149.db2.gz UQKJNULUKOOEEV-LLVKDONJSA-N -1 3 313.357 2.550 20 0 DFADHM COC(=O)[C@H](NCc1cc([O-])cc(F)c1)c1ccc(OC)cc1 ZINC000428083976 296679224 /nfs/dbraw/zinc/67/92/24/296679224.db2.gz MBMCTHGVDAWPRU-MRXNPFEDSA-N -1 3 319.332 2.544 20 0 DFADHM CO[C@@H](CNC(=O)c1c[n-]nc1-c1ccccn1)c1ccccc1 ZINC000352308158 286341432 /nfs/dbraw/zinc/34/14/32/286341432.db2.gz XBTGJUFPEJYISA-INIZCTEOSA-N -1 3 322.368 2.589 20 0 DFADHM Cc1cc(C(=O)Nc2cccc(F)c2-c2nc[nH]n2)ccc1[O-] ZINC000428217835 296685080 /nfs/dbraw/zinc/68/50/80/296685080.db2.gz ULALMYVEXCRYOG-UHFFFAOYSA-N -1 3 312.304 2.877 20 0 DFADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(C)nc(=O)[n-]3)C2)cc1 ZINC000428318616 296690529 /nfs/dbraw/zinc/69/05/29/296690529.db2.gz BVXFLFAXYAFLAA-UKRRQHHQSA-N -1 3 311.385 2.817 20 0 DFADHM COc1ccccc1[C@@H](C)CC(=O)NCc1ncccc1[O-] ZINC000352511212 286393483 /nfs/dbraw/zinc/39/34/83/286393483.db2.gz XFIWCQFTAZTJKQ-LBPRGKRZSA-N -1 3 300.358 2.606 20 0 DFADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ncccc1[O-] ZINC000352515424 286394702 /nfs/dbraw/zinc/39/47/02/286394702.db2.gz GTSMMYGIQQESEV-UHFFFAOYSA-N -1 3 320.776 2.914 20 0 DFADHM Cc1ccc2nc(C)c(C(=O)NCc3ncccc3[O-])cc2c1 ZINC000352515535 286394776 /nfs/dbraw/zinc/39/47/76/286394776.db2.gz HDGNLBFSVKBHGM-UHFFFAOYSA-N -1 3 307.353 2.882 20 0 DFADHM CC[C@H](Oc1ccccc1C)C(=O)NCc1ncccc1[O-] ZINC000352518485 286395682 /nfs/dbraw/zinc/39/56/82/286395682.db2.gz XIJMTCQVGVNGGB-HNNXBMFYSA-N -1 3 300.358 2.569 20 0 DFADHM CC[C@@H](Oc1ccccc1C)C(=O)NCc1ncccc1[O-] ZINC000352518486 286395697 /nfs/dbraw/zinc/39/56/97/286395697.db2.gz XIJMTCQVGVNGGB-OAHLLOKOSA-N -1 3 300.358 2.569 20 0 DFADHM O=C(NCc1ncccc1[O-])c1cccc(-c2cscn2)c1 ZINC000352505877 286391659 /nfs/dbraw/zinc/39/16/59/286391659.db2.gz CCAQDHLEUYSXBL-UHFFFAOYSA-N -1 3 311.366 2.841 20 0 DFADHM Cc1ccc2[nH]cc(CCC(=O)NCc3ncccc3[O-])c2c1 ZINC000352507363 286392129 /nfs/dbraw/zinc/39/21/29/286392129.db2.gz JVGQJJMFGIMOHC-UHFFFAOYSA-N -1 3 309.369 2.826 20 0 DFADHM COc1ccc(C(=O)NCc2ncccc2[O-])c(OC(C)C)c1 ZINC000352509537 286392889 /nfs/dbraw/zinc/39/28/89/286392889.db2.gz PQAOHBWKBJWIHE-UHFFFAOYSA-N -1 3 316.357 2.513 20 0 DFADHM CC(=O)Nc1cccc(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000352665795 286435103 /nfs/dbraw/zinc/43/51/03/286435103.db2.gz SKXQZWFEDUVXGJ-UHFFFAOYSA-N -1 3 310.353 2.944 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@H]2CCCO2)sc1Cl ZINC000353044732 286537913 /nfs/dbraw/zinc/53/79/13/286537913.db2.gz UJUNJNMZQJIOFV-VHSXEESVSA-N -1 3 323.867 2.946 20 0 DFADHM Cc1ccccc1C[C@H](CO)NCc1c(F)ccc([O-])c1F ZINC000353121291 286555959 /nfs/dbraw/zinc/55/59/59/286555959.db2.gz DBBQFZHQYFTQJS-CYBMUJFWSA-N -1 3 307.340 2.672 20 0 DFADHM C[C@@H]1CN(CCN(C)Cc2cccc([O-])c2Cl)C[C@@H](C)O1 ZINC000353230537 286585322 /nfs/dbraw/zinc/58/53/22/286585322.db2.gz ONTRXUNCSYAGIZ-CHWSQXEVSA-N -1 3 312.841 2.587 20 0 DFADHM CC(C)Oc1cccc(/C=C/C(=O)[N-]O[C@H](CO)C(C)C)c1 ZINC000493492143 299789212 /nfs/dbraw/zinc/78/92/12/299789212.db2.gz JXGWGPOKZRKJJL-ROJDOSBLSA-N -1 3 307.390 2.552 20 0 DFADHM CCO[C@H]1C[C@H](NCc2nc(CC)cc(=O)[n-]2)C1(CC)CC ZINC000429340473 296743788 /nfs/dbraw/zinc/74/37/88/296743788.db2.gz IZVCLOLJRZFCMQ-KBPBESRZSA-N -1 3 307.438 2.818 20 0 DFADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccc(Cl)cc2F)o1 ZINC000353352183 286620983 /nfs/dbraw/zinc/62/09/83/286620983.db2.gz PIKWOVTZRYZLND-UHFFFAOYSA-N -1 3 317.725 2.728 20 0 DFADHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000277672864 297145655 /nfs/dbraw/zinc/14/56/55/297145655.db2.gz GFAWLWRUWPXEAO-LDYMZIIASA-N -1 3 324.229 2.697 20 0 DFADHM O=C(c1cccc([O-])c1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000182578075 158005585 /nfs/dbraw/zinc/00/55/85/158005585.db2.gz OSJQMQWLRNMZPV-KRWDZBQOSA-N -1 3 311.381 2.866 20 0 DFADHM Cc1cc2c(cc1NC(=O)c1c[n-]c3ccccc3c1=O)OCO2 ZINC000182715238 158007485 /nfs/dbraw/zinc/00/74/85/158007485.db2.gz JRCVDHJUBNQFEC-UHFFFAOYSA-N -1 3 322.320 2.818 20 0 DFADHM Cc1cc2c(cc1NC(=O)c1cnc3ccccc3c1[O-])OCO2 ZINC000182715238 158007487 /nfs/dbraw/zinc/00/74/87/158007487.db2.gz JRCVDHJUBNQFEC-UHFFFAOYSA-N -1 3 322.320 2.818 20 0 DFADHM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1cccc([O-])c1 ZINC000182952446 158011151 /nfs/dbraw/zinc/01/11/51/158011151.db2.gz BHTBFWZCWHEXED-CQSZACIVSA-N -1 3 314.360 2.930 20 0 DFADHM COc1nnc(NC(=O)CCCCCc2ccc(OC)cc2)[n-]1 ZINC000182999571 158013038 /nfs/dbraw/zinc/01/30/38/158013038.db2.gz CYSNRVNWVTWZSO-UHFFFAOYSA-N -1 3 318.377 2.564 20 0 DFADHM COc1nc(NC(=O)CCCCCc2ccc(OC)cc2)n[n-]1 ZINC000182999571 158013040 /nfs/dbraw/zinc/01/30/40/158013040.db2.gz CYSNRVNWVTWZSO-UHFFFAOYSA-N -1 3 318.377 2.564 20 0 DFADHM COc1n[n-]c(NC(=O)CCCCCc2ccc(OC)cc2)n1 ZINC000182999571 158013043 /nfs/dbraw/zinc/01/30/43/158013043.db2.gz CYSNRVNWVTWZSO-UHFFFAOYSA-N -1 3 318.377 2.564 20 0 DFADHM CCc1[nH]c(C(=O)Nc2ccc([O-])cc2F)c(C)c1C(=O)OC ZINC000183272988 158013872 /nfs/dbraw/zinc/01/38/72/158013872.db2.gz ZSGNZYTWIXOAFK-UHFFFAOYSA-N -1 3 320.320 2.769 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)c1ccc(-c2ccco2)[nH]c1=O ZINC000183259939 158014076 /nfs/dbraw/zinc/01/40/76/158014076.db2.gz RHTUWUUGYPZGHW-UHFFFAOYSA-N -1 3 314.272 2.732 20 0 DFADHM C[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1 ZINC000183551738 158020432 /nfs/dbraw/zinc/02/04/32/158020432.db2.gz FVBNDKHQYAGXKK-LBPRGKRZSA-N -1 3 307.357 2.533 20 0 DFADHM C[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000183551738 158020436 /nfs/dbraw/zinc/02/04/36/158020436.db2.gz FVBNDKHQYAGXKK-LBPRGKRZSA-N -1 3 307.357 2.533 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@H]2CCCO2)c(F)cc1F ZINC000440389669 297151495 /nfs/dbraw/zinc/15/14/95/297151495.db2.gz YYOSAHCJDMHZAG-GHMZBOCLSA-N -1 3 319.373 2.509 20 0 DFADHM Cc1nnc([C@@H](NCc2cc([O-])cc(F)c2)c2ccccc2)[nH]1 ZINC000185512338 158061713 /nfs/dbraw/zinc/06/17/13/158061713.db2.gz YOGBAILRLQDYGO-INIZCTEOSA-N -1 3 312.348 2.837 20 0 DFADHM COC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCC1 ZINC000429875528 296761898 /nfs/dbraw/zinc/76/18/98/296761898.db2.gz BGYFANSLFAYHHG-UHFFFAOYSA-N -1 3 324.229 2.841 20 0 DFADHM CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000187844803 158073489 /nfs/dbraw/zinc/07/34/89/158073489.db2.gz BRCMFCGKLQWLTM-JTQLQIEISA-N -1 3 324.899 2.719 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(F)cc1Cl ZINC000247515164 158142357 /nfs/dbraw/zinc/14/23/57/158142357.db2.gz VKAVKIFYPZCHGP-UHFFFAOYSA-N -1 3 308.622 2.868 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1Cl ZINC000247515164 158142359 /nfs/dbraw/zinc/14/23/59/158142359.db2.gz VKAVKIFYPZCHGP-UHFFFAOYSA-N -1 3 308.622 2.868 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCc2cnn(-c3ccccc3)c2)c1 ZINC000247881694 158152371 /nfs/dbraw/zinc/15/23/71/158152371.db2.gz CHVLFSFXHWTZGE-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM [O-]c1cccc(CN2CCCC[C@@H]2CN2CCOCC2)c1Cl ZINC000351309997 158228200 /nfs/dbraw/zinc/22/82/00/158228200.db2.gz YTTUDSPFYXGOPF-OAHLLOKOSA-N -1 3 324.852 2.732 20 0 DFADHM CCOCC(C)(C)NC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000355108567 158276847 /nfs/dbraw/zinc/27/68/47/158276847.db2.gz ARRDCXFNEZDINZ-UHFFFAOYSA-N -1 3 305.378 2.507 20 0 DFADHM CCOCC(C)(C)NC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000355108567 158276849 /nfs/dbraw/zinc/27/68/49/158276849.db2.gz ARRDCXFNEZDINZ-UHFFFAOYSA-N -1 3 305.378 2.507 20 0 DFADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(F)(F)F 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Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1cc(Cl)ccc1[O-] ZINC000376750875 158898300 /nfs/dbraw/zinc/89/83/00/158898300.db2.gz MTAGCTVYHFQUIJ-JTQLQIEISA-N -1 3 305.765 2.838 20 0 DFADHM O=S(=O)([N-]C[C@H](c1ccccc1)C1CC1)c1cncc(F)c1 ZINC000431607885 296842878 /nfs/dbraw/zinc/84/28/78/296842878.db2.gz ILUXIDOGKJAVRU-MRXNPFEDSA-N -1 3 320.389 2.693 20 0 DFADHM CCCCN(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000431799077 296850835 /nfs/dbraw/zinc/85/08/35/296850835.db2.gz SBVGINCBABNAKF-UHFFFAOYSA-N -1 3 300.196 2.956 20 0 DFADHM NC(=O)c1ccc(F)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000432021728 296859218 /nfs/dbraw/zinc/85/92/18/296859218.db2.gz WNILSAPFMGSBIY-UHFFFAOYSA-N -1 3 308.696 2.536 20 0 DFADHM CC[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C[C@@H](C)O1 ZINC000111643700 287174800 /nfs/dbraw/zinc/17/48/00/287174800.db2.gz MWZXRZLSPVKXCJ-DGCLKSJQSA-N -1 3 319.401 2.745 20 0 DFADHM O=[S@](Cc1ncc(Br)s1)c1cccc([O-])c1 ZINC000432652203 296884469 /nfs/dbraw/zinc/88/44/69/296884469.db2.gz BJSCZHSXVSWEHE-MRXNPFEDSA-N -1 3 318.217 2.919 20 0 DFADHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000128827887 195995428 /nfs/dbraw/zinc/99/54/28/195995428.db2.gz QGAPYLGLBCWEDM-SNVBAGLBSA-N -1 3 323.817 2.555 20 0 DFADHM O=C(NCCSCc1cccc2ccccc21)c1c[n-]nn1 ZINC000053411360 425887544 /nfs/dbraw/zinc/88/75/44/425887544.db2.gz FEGTVCSBAJNKNK-UHFFFAOYSA-N -1 3 312.398 2.621 20 0 DFADHM O=C(NCCSCc1cccc2ccccc21)c1cnn[n-]1 ZINC000053411360 425887545 /nfs/dbraw/zinc/88/75/45/425887545.db2.gz FEGTVCSBAJNKNK-UHFFFAOYSA-N -1 3 312.398 2.621 20 0 DFADHM O=C(NCCSCc1cccc2ccccc21)c1cn[n-]n1 ZINC000053411360 425887546 /nfs/dbraw/zinc/88/75/46/425887546.db2.gz FEGTVCSBAJNKNK-UHFFFAOYSA-N -1 3 312.398 2.621 20 0 DFADHM C[C@@]1(O)CCCN(Cc2cc([O-])ccc2Br)C1 ZINC000129544211 196056489 /nfs/dbraw/zinc/05/64/89/196056489.db2.gz WBUAXOIVHVHJCV-CYBMUJFWSA-N -1 3 300.196 2.502 20 0 DFADHM CCC[C@@H]1CN(Cc2cc(=O)oc3c(C)c([O-])ccc23)CCO1 ZINC000131209914 196150059 /nfs/dbraw/zinc/15/00/59/196150059.db2.gz PQEORBURYLVRLS-CQSZACIVSA-N -1 3 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310.382 2.925 20 0 DFADHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1c([O-])cccc1F ZINC000163553727 426103002 /nfs/dbraw/zinc/10/30/02/426103002.db2.gz ATSQQDDGKJUHOW-ZDUSSCGKSA-N -1 3 318.348 2.691 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)CC(F)(F)F)c[n-]c12 ZINC000163790163 426109926 /nfs/dbraw/zinc/10/99/26/426109926.db2.gz QNZGTQFAZPLMAN-UHFFFAOYSA-N -1 3 316.254 2.610 20 0 DFADHM CN(C)c1c(Cl)cccc1NC(=O)c1cccc2nn[n-]c21 ZINC000164257969 426112568 /nfs/dbraw/zinc/11/25/68/426112568.db2.gz VCOKYWQVPFKIGX-UHFFFAOYSA-N -1 3 315.764 2.930 20 0 DFADHM CN(C)c1c(Cl)cccc1NC(=O)c1cccc2[n-]nnc21 ZINC000164257969 426112570 /nfs/dbraw/zinc/11/25/70/426112570.db2.gz VCOKYWQVPFKIGX-UHFFFAOYSA-N -1 3 315.764 2.930 20 0 DFADHM CN(C)c1c(Cl)cccc1NC(=O)c1cccc2n[n-]nc21 ZINC000164257969 426112572 /nfs/dbraw/zinc/11/25/72/426112572.db2.gz VCOKYWQVPFKIGX-UHFFFAOYSA-N -1 3 315.764 2.930 20 0 DFADHM CCc1ccc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)cc1 ZINC000113735318 426119891 /nfs/dbraw/zinc/11/98/91/426119891.db2.gz YKUIESOPMLOVSF-UHFFFAOYSA-N -1 3 310.357 2.590 20 0 DFADHM CC(=O)NC(C)(C)c1noc(-c2cc(Cl)c(Cl)[n-]2)n1 ZINC000113757915 426120915 /nfs/dbraw/zinc/12/09/15/426120915.db2.gz QRLHFGSLSWEQQL-UHFFFAOYSA-N -1 3 303.149 2.743 20 0 DFADHM Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1cccc([O-])c1F ZINC000128579454 426123602 /nfs/dbraw/zinc/12/36/02/426123602.db2.gz YWNXLIPMSSGUGB-UHFFFAOYSA-N -1 3 314.320 2.752 20 0 DFADHM C[C@@H](CC1CCCC1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000114332234 426131884 /nfs/dbraw/zinc/13/18/84/426131884.db2.gz HWBIZOKCUJFUBQ-LBPRGKRZSA-N -1 3 313.405 2.699 20 0 DFADHM C[C@@H](CC1CCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000114332234 426131886 /nfs/dbraw/zinc/13/18/86/426131886.db2.gz HWBIZOKCUJFUBQ-LBPRGKRZSA-N -1 3 313.405 2.699 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2C)c1 ZINC000112362356 426074676 /nfs/dbraw/zinc/07/46/76/426074676.db2.gz JZYQWQIZJKGAQW-SKDRFNHKSA-N -1 3 303.811 2.816 20 0 DFADHM COc1ccc(C(=O)N[C@@H](C)C[C@@H](O)c2cccs2)c([O-])c1 ZINC000162742855 426075175 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ZINC000115189816 426157141 /nfs/dbraw/zinc/15/71/41/426157141.db2.gz WFNHMEPPZDMUCQ-SECBINFHSA-N -1 3 322.382 2.992 20 0 DFADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCCO1)c1cccs1 ZINC000171042460 426165913 /nfs/dbraw/zinc/16/59/13/426165913.db2.gz RQEPHWOHOHVVSL-UKRRQHHQSA-N -1 3 323.439 2.947 20 0 DFADHM COc1cc(C(=O)N(C)CCc2ccccc2)cc(OC)c1[O-] ZINC000135108341 426205681 /nfs/dbraw/zinc/20/56/81/426205681.db2.gz IFJDTGTWCFHKSA-UHFFFAOYSA-N -1 3 315.369 2.724 20 0 DFADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2)C1)c1cccs1 ZINC000115582736 426168583 /nfs/dbraw/zinc/16/85/83/426168583.db2.gz GNUJSMSLGPDZQC-CYBMUJFWSA-N -1 3 322.455 2.695 20 0 DFADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000133422432 426177391 /nfs/dbraw/zinc/17/73/91/426177391.db2.gz OFNTYUPDDFTNPN-UHFFFAOYSA-N -1 3 321.801 2.514 20 0 DFADHM COc1cccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1[O-] ZINC000078672633 426181109 /nfs/dbraw/zinc/18/11/09/426181109.db2.gz FNKZYNCXJKGOFU-MRXNPFEDSA-N -1 3 313.353 2.615 20 0 DFADHM COc1cccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c1[O-] ZINC000078769954 426185685 /nfs/dbraw/zinc/18/56/85/426185685.db2.gz XGZYZONMPZBMBF-UHFFFAOYSA-N -1 3 309.325 2.839 20 0 DFADHM CC(C)(C)[C@@H]1CCCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000116308967 426186515 /nfs/dbraw/zinc/18/65/15/426186515.db2.gz QWDWNMARVGXCMB-CYBMUJFWSA-N -1 3 302.422 2.671 20 0 DFADHM COCCOc1cccc(CNC(=O)c2cccc(C)c2[O-])c1 ZINC000079267541 426190259 /nfs/dbraw/zinc/19/02/59/426190259.db2.gz BOIXAPCKUKTHSR-UHFFFAOYSA-N -1 3 315.369 2.656 20 0 DFADHM CCn1c2ccccc2nc1[N-]C(=O)C(=O)Nc1ccc(C)cc1 ZINC000116721904 426195196 /nfs/dbraw/zinc/19/51/96/426195196.db2.gz IULCPQYZZFAVIK-UHFFFAOYSA-N -1 3 322.368 2.942 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc(-n2cccn2)c1 ZINC000116748577 426196180 /nfs/dbraw/zinc/19/61/80/426196180.db2.gz GYMFZJRSWIWMIM-UHFFFAOYSA-N -1 3 320.312 2.503 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc(-n2cccn2)c1 ZINC000116748577 426196181 /nfs/dbraw/zinc/19/61/81/426196181.db2.gz GYMFZJRSWIWMIM-UHFFFAOYSA-N -1 3 320.312 2.503 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(-n2cccn2)c1 ZINC000116748577 426196183 /nfs/dbraw/zinc/19/61/83/426196183.db2.gz GYMFZJRSWIWMIM-UHFFFAOYSA-N -1 3 320.312 2.503 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCN(CCC2CCCC2)CC1 ZINC000081019317 426218039 /nfs/dbraw/zinc/21/80/39/426218039.db2.gz ZIMAKYHMBLLTHR-UHFFFAOYSA-N -1 3 302.418 2.730 20 0 DFADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2ccccc2o1 ZINC000135570436 426222052 /nfs/dbraw/zinc/22/20/52/426222052.db2.gz XMZNLNHDQIVHKN-UHFFFAOYSA-N -1 3 319.324 2.789 20 0 DFADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC000135570436 426222054 /nfs/dbraw/zinc/22/20/54/426222054.db2.gz XMZNLNHDQIVHKN-UHFFFAOYSA-N -1 3 319.324 2.789 20 0 DFADHM COCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])no1 ZINC000081458501 426222725 /nfs/dbraw/zinc/22/27/25/426222725.db2.gz IUWVNGOQFVZPFL-UHFFFAOYSA-N -1 3 316.235 2.798 20 0 DFADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000135872109 426229717 /nfs/dbraw/zinc/22/97/17/426229717.db2.gz 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O=C(Nc1cc(F)ccc1[O-])c1csc(-c2cnccn2)n1 ZINC000174905267 426267981 /nfs/dbraw/zinc/26/79/81/426267981.db2.gz ODLXLYOQNKUXSW-UHFFFAOYSA-N -1 3 316.317 2.697 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000119240134 426270938 /nfs/dbraw/zinc/27/09/38/426270938.db2.gz REBRYYURSOZBRQ-RNCFNFMXSA-N -1 3 323.817 2.555 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2nc(C3CC3)cs2)c1 ZINC000151020529 426273127 /nfs/dbraw/zinc/27/31/27/426273127.db2.gz XGQJMJGRPBRFJM-UHFFFAOYSA-N -1 3 304.371 2.665 20 0 DFADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000117374592 426212779 /nfs/dbraw/zinc/21/27/79/426212779.db2.gz SSVXRLZVYIBTCJ-NXEZZACHSA-N -1 3 321.414 2.917 20 0 DFADHM C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000119455524 426290333 /nfs/dbraw/zinc/29/03/33/426290333.db2.gz ZKLOXLJFJIECAB-JTQLQIEISA-N -1 3 317.320 2.680 20 0 DFADHM CC[C@H](C)OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151395102 426293488 /nfs/dbraw/zinc/29/34/88/426293488.db2.gz MKJVADJUNFZPFV-VIFPVBQESA-N 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WUEBVAGNWAHZJT-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2[O-])C12CCCC2 ZINC000175399457 426301791 /nfs/dbraw/zinc/30/17/91/426301791.db2.gz JWKQWXYTADUCTO-HUUCEWRRSA-N -1 3 305.374 2.565 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cnc3n[nH]c(C)c3c2)c1[O-] ZINC000175426326 426304157 /nfs/dbraw/zinc/30/41/57/426304157.db2.gz BSJQLWGYOHCPBX-UHFFFAOYSA-N -1 3 312.329 2.541 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)c1ccco1 ZINC000151617693 426304971 /nfs/dbraw/zinc/30/49/71/426304971.db2.gz ZZGKTSINSGUNOI-ZFWWWQNUSA-N -1 3 323.414 2.690 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2nc3cc(F)ccc3n2C)c1 ZINC000175490455 426308278 /nfs/dbraw/zinc/30/82/78/426308278.db2.gz HPMJLMHKESHYLI-UHFFFAOYSA-N -1 3 315.304 2.679 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)c1cnc([C@@H]2CCCO2)s1 ZINC000089831189 426311695 /nfs/dbraw/zinc/31/16/95/426311695.db2.gz UEZYBDWOOLVOOM-LBPRGKRZSA-N -1 3 322.361 2.769 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)c3scnc3C3CC3)[n-]2)o1 ZINC000089855773 426313452 /nfs/dbraw/zinc/31/34/52/426313452.db2.gz KUELOMVDCCIUOM-UHFFFAOYSA-N -1 3 315.358 2.959 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)c3scnc3C3CC3)n2)o1 ZINC000089855773 426313456 /nfs/dbraw/zinc/31/34/56/426313456.db2.gz KUELOMVDCCIUOM-UHFFFAOYSA-N -1 3 315.358 2.959 20 0 DFADHM CCc1ccc(C=C([O-])Nc2nc(-c3cccnc3)ns2)cc1 ZINC000339596346 268845307 /nfs/dbraw/zinc/84/53/07/268845307.db2.gz LTNVGNQSXVPMJC-UHFFFAOYSA-N -1 3 324.409 2.766 20 0 DFADHM COC(=O)N[C@@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000175836110 426332018 /nfs/dbraw/zinc/33/20/18/426332018.db2.gz GXSUIALHCPXFAI-LLVKDONJSA-N -1 3 314.769 2.673 20 0 DFADHM O=C(CCCc1ccc(F)c(F)c1)[N-]OCc1cccnc1 ZINC000152289587 426336537 /nfs/dbraw/zinc/33/65/37/426336537.db2.gz LYTJTSLRRVKHDP-UHFFFAOYSA-N -1 3 306.312 2.931 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000152294887 426336867 /nfs/dbraw/zinc/33/68/67/426336867.db2.gz ORFLMQXBZAZGHF-QWHCGFSZSA-N -1 3 304.296 2.711 20 0 DFADHM COc1cccc([C@H](C)CC(=O)[N-]OCc2cccnc2)c1 ZINC000152335528 426338792 /nfs/dbraw/zinc/33/87/92/426338792.db2.gz RECKTNHWCXYSIN-CYBMUJFWSA-N -1 3 300.358 2.832 20 0 DFADHM CCc1noc(CC)c1CNC(=O)c1cc(CC)ccc1[O-] ZINC000088465345 426275875 /nfs/dbraw/zinc/27/58/75/426275875.db2.gz GHVRSRUNOYFCGI-UHFFFAOYSA-N -1 3 302.374 2.997 20 0 DFADHM CSCCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000119343525 426280486 /nfs/dbraw/zinc/28/04/86/426280486.db2.gz SZPMJSBCIKVDAR-UHFFFAOYSA-N -1 3 317.414 2.827 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)c1 ZINC000119410206 426286477 /nfs/dbraw/zinc/28/64/77/426286477.db2.gz CYFGJXNWTDCFFQ-VXGBXAGGSA-N -1 3 304.390 2.859 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Cl)cc2F)n[n-]1 ZINC000119412402 426286575 /nfs/dbraw/zinc/28/65/75/426286575.db2.gz JYNSUUMVBVDTNW-UHFFFAOYSA-N -1 3 319.727 2.855 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Cl)cc2F)[n-]n1 ZINC000119412402 426286577 /nfs/dbraw/zinc/28/65/77/426286577.db2.gz JYNSUUMVBVDTNW-UHFFFAOYSA-N -1 3 319.727 2.855 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](c3nc(C)cs3)C2)n1 ZINC000119428811 426287314 /nfs/dbraw/zinc/28/73/14/426287314.db2.gz GENOOEWVUJYUBT-LBPRGKRZSA-N -1 3 318.446 2.889 20 0 DFADHM C[C@H](C[N-]C(=O)C(F)(F)C(F)F)N1CCc2sccc2C1 ZINC000175946056 426341093 /nfs/dbraw/zinc/34/10/93/426341093.db2.gz YPFFGRYTIJOPIV-MRVPVSSYSA-N -1 3 324.343 2.511 20 0 DFADHM O=C(NCc1ccc(Br)cc1)c1c([O-])cccc1O ZINC000092119714 426345814 /nfs/dbraw/zinc/34/58/14/426345814.db2.gz OQQMPNYPBFJDOH-UHFFFAOYSA-N -1 3 322.158 2.790 20 0 DFADHM Cc1ccc(OCCCNC(=O)c2c([O-])cccc2O)cc1 ZINC000092120635 426347678 /nfs/dbraw/zinc/34/76/78/426347678.db2.gz QXJKTLQVJOKLPM-UHFFFAOYSA-N -1 3 301.342 2.605 20 0 DFADHM O=C(NCc1ccccc1OCC1CC1)c1c([O-])cccc1O ZINC000092122758 426348005 /nfs/dbraw/zinc/34/80/05/426348005.db2.gz RVTPLJVGQDLBRU-UHFFFAOYSA-N -1 3 313.353 2.817 20 0 DFADHM Cc1cccc(O[C@H](C)CNC(=O)c2c([O-])cccc2O)c1 ZINC000092123151 426348116 /nfs/dbraw/zinc/34/81/16/426348116.db2.gz RUFVUIPFGZVQHX-GFCCVEGCSA-N -1 3 301.342 2.604 20 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CCC(CC)N(CC(C)C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000274537708 426789493 /nfs/dbraw/zinc/78/94/93/426789493.db2.gz SPOJQEIILSPQJH-UHFFFAOYSA-N -1 3 320.433 2.795 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)c1 ZINC000179198223 426766136 /nfs/dbraw/zinc/76/61/36/426766136.db2.gz GHBXVVJHHLAKEF-MRXNPFEDSA-N -1 3 319.430 2.894 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000179554845 426799521 /nfs/dbraw/zinc/79/95/21/426799521.db2.gz ADASXZQQIPVGLQ-GFCCVEGCSA-N -1 3 320.389 2.896 20 0 DFADHM Cc1cc(CNC(=O)c2ccccc2[O-])cc(N2CCCC2)n1 ZINC000290673793 426816281 /nfs/dbraw/zinc/81/62/81/426816281.db2.gz YVOFHKLVWWFMAV-UHFFFAOYSA-N -1 3 311.385 2.626 20 0 DFADHM CC[C@@H](CC(=O)[N-]OCCCC(=O)OC)c1ccc(OC)cc1 ZINC000290665266 426816907 /nfs/dbraw/zinc/81/69/07/426816907.db2.gz OEHNQJDDMNEDHN-ZDUSSCGKSA-N -1 3 323.389 2.580 20 0 DFADHM CCOCCCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000267057524 426817693 /nfs/dbraw/zinc/81/76/93/426817693.db2.gz DPSQONPJANZFSY-UHFFFAOYSA-N 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/nfs/dbraw/zinc/34/17/12/427341712.db2.gz ZUIPZXZAXXQIHN-VXGBXAGGSA-N -1 3 324.396 2.924 20 0 DFADHM CCC[C@@](C)(O)C[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000270395793 427343568 /nfs/dbraw/zinc/34/35/68/427343568.db2.gz IUPUYHJBDSQZCC-CYBMUJFWSA-N -1 3 307.287 2.724 20 0 DFADHM C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)[C@H]1CCOC1 ZINC000270398345 427345567 /nfs/dbraw/zinc/34/55/67/427345567.db2.gz JHWQQKSQEDHTGY-BDAKNGLRSA-N -1 3 305.271 2.598 20 0 DFADHM O=C(NCCC1CCOCC1)c1cc([O-])ccc1C(F)(F)F ZINC000338817444 271599249 /nfs/dbraw/zinc/59/92/49/271599249.db2.gz YDPWUJMYHJUGLQ-UHFFFAOYSA-N -1 3 317.307 2.958 20 0 DFADHM CC(C)[C@H](O)CCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338836008 271602762 /nfs/dbraw/zinc/60/27/62/271602762.db2.gz YLARPNMOYMKEBY-GFCCVEGCSA-N -1 3 305.296 2.548 20 0 DFADHM Cc1ccc(C(=O)N2CC=C(c3ccnn3C)CC2)c([O-])c1C ZINC000285826853 427348836 /nfs/dbraw/zinc/34/88/36/427348836.db2.gz AYXOZTHHESWYQH-UHFFFAOYSA-N -1 3 311.385 2.672 20 0 DFADHM Cc1ccc(CN(CCO)Cc2c(F)ccc([O-])c2F)cc1 ZINC000293509466 427349545 /nfs/dbraw/zinc/34/95/45/427349545.db2.gz CAWNUTJKZZIOSM-UHFFFAOYSA-N -1 3 307.340 2.973 20 0 DFADHM COCCC[C@H](C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000183528140 427287792 /nfs/dbraw/zinc/28/77/92/427287792.db2.gz GKWAHPHTOSIYFH-JTQLQIEISA-N -1 3 306.341 2.612 20 0 DFADHM O=S(=O)([N-]CCC1CCCC1)c1cccnc1C(F)(F)F ZINC000330666409 427287854 /nfs/dbraw/zinc/28/78/54/427287854.db2.gz IFSWSJPEWPVROX-UHFFFAOYSA-N -1 3 322.352 2.959 20 0 DFADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc2ccn(C)c2c1 ZINC000296965073 427289509 /nfs/dbraw/zinc/28/95/09/427289509.db2.gz QLBARHQILQGZHG-UHFFFAOYSA-N -1 3 319.361 2.573 20 0 DFADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc2ccn(C)c2c1 ZINC000296965073 427289514 /nfs/dbraw/zinc/28/95/14/427289514.db2.gz QLBARHQILQGZHG-UHFFFAOYSA-N -1 3 319.361 2.573 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)c1c(Cl)cc(F)cc1Cl ZINC000277710929 427293765 /nfs/dbraw/zinc/29/37/65/427293765.db2.gz IPNIQJNDNPNIKH-SSDOTTSWSA-N -1 3 308.136 2.830 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCn3c(Cl)ccc3[C@H]2C)n1 ZINC000293347663 427294412 /nfs/dbraw/zinc/29/44/12/427294412.db2.gz XRZKVPLDAOKLTR-SNVBAGLBSA-N -1 3 306.797 2.776 20 0 DFADHM C[C@H](Oc1cccc(Cl)c1)C(=O)[N-]c1nncn1C1CC1 ZINC000285905601 427370564 /nfs/dbraw/zinc/37/05/64/427370564.db2.gz SDLJBQSFPOVWSU-VIFPVBQESA-N -1 3 306.753 2.672 20 0 DFADHM CCCCCNC(=O)Cc1noc(-c2cccc(C)c2[O-])n1 ZINC000277962153 427372147 /nfs/dbraw/zinc/37/21/47/427372147.db2.gz PUUUBJHBVVZIAQ-UHFFFAOYSA-N -1 3 303.362 2.600 20 0 DFADHM CC[C@H](C)CON=C([O-])Nc1cccc(OCC(F)F)n1 ZINC000297263430 427379017 /nfs/dbraw/zinc/37/90/17/427379017.db2.gz TVDIDXQGJRDVEE-VIFPVBQESA-N -1 3 303.309 2.825 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(OCC(F)F)n1 ZINC000297263430 427379023 /nfs/dbraw/zinc/37/90/23/427379023.db2.gz TVDIDXQGJRDVEE-VIFPVBQESA-N -1 3 303.309 2.825 20 0 DFADHM CC[C@@H]1CN(C(=O)c2cccc(C)c2[O-])[C@@H](CC)CN1C(C)=O ZINC000331248535 427379740 /nfs/dbraw/zinc/37/97/40/427379740.db2.gz WTLYKIQSRROSLX-CABCVRRESA-N -1 3 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C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1cc([O-])ccc1Cl ZINC000340312072 427984435 /nfs/dbraw/zinc/98/44/35/427984435.db2.gz GSITVYNWDTXQAH-VIFPVBQESA-N -1 3 313.781 2.896 20 0 DFADHM CCOC(=O)c1ccc(C(=O)Nc2ccc(OC)cc2[O-])cc1 ZINC000356023853 427988012 /nfs/dbraw/zinc/98/80/12/427988012.db2.gz RQQMJIYRFRHAGJ-UHFFFAOYSA-N -1 3 315.325 2.830 20 0 DFADHM Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1cc(Cl)ccc1[O-] ZINC000376750876 427990507 /nfs/dbraw/zinc/99/05/07/427990507.db2.gz MTAGCTVYHFQUIJ-SNVBAGLBSA-N -1 3 305.765 2.838 20 0 DFADHM C[C@H](N(Cc1nn(C)c(=O)[n-]1)Cc1ccccc1)C(C)(C)C ZINC000346028732 427990615 /nfs/dbraw/zinc/99/06/15/427990615.db2.gz HUXPWBRJYCDWRM-ZDUSSCGKSA-N -1 3 302.422 2.545 20 0 DFADHM O=C(Nc1cccc(CCCO)c1)c1c[n-]nc1-c1ccncc1 ZINC000359604790 427932884 /nfs/dbraw/zinc/93/28/84/427932884.db2.gz OUDCTGSLXMIQTO-UHFFFAOYSA-N -1 3 322.368 2.649 20 0 DFADHM O=C(Nc1cccc(CCCO)c1)c1cn[n-]c1-c1ccncc1 ZINC000359604790 427932892 /nfs/dbraw/zinc/93/28/92/427932892.db2.gz OUDCTGSLXMIQTO-UHFFFAOYSA-N -1 3 322.368 2.649 20 0 DFADHM CN(CC1(O)CCCC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345865956 427934626 /nfs/dbraw/zinc/93/46/26/427934626.db2.gz CFXUJUPKVIGYDD-UHFFFAOYSA-N -1 3 309.381 2.618 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccc(F)cc2OC(C)C)c[n-]1 ZINC000345866280 427935277 /nfs/dbraw/zinc/93/52/77/427935277.db2.gz PIMIGQVCIRBWTE-UHFFFAOYSA-N -1 3 320.320 2.980 20 0 DFADHM [O-]c1ccc(CCCc2nc(-c3ncccn3)no2)cc1F ZINC000345880111 427940035 /nfs/dbraw/zinc/94/00/35/427940035.db2.gz FYRUDSJDIOLWAU-UHFFFAOYSA-N -1 3 300.293 2.547 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC2(CC2)c2ccccc21 ZINC000337517766 427940735 /nfs/dbraw/zinc/94/07/35/427940735.db2.gz KSIOIVLZSUBGLF-UHFFFAOYSA-N -1 3 308.316 2.789 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC2(CC2)c2ccccc21 ZINC000337517766 427940740 /nfs/dbraw/zinc/94/07/40/427940740.db2.gz KSIOIVLZSUBGLF-UHFFFAOYSA-N -1 3 308.316 2.789 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC2(CC2)c2ccccc21 ZINC000337517766 427940744 /nfs/dbraw/zinc/94/07/44/427940744.db2.gz KSIOIVLZSUBGLF-UHFFFAOYSA-N -1 3 308.316 2.789 20 0 DFADHM COc1cc(C)cc(-c2nc(Cc3cc(C)on3)no2)c1[O-] ZINC000350566537 427945012 /nfs/dbraw/zinc/94/50/12/427945012.db2.gz JPEFPTQWOQTHHO-UHFFFAOYSA-N -1 3 301.302 2.646 20 0 DFADHM CCc1ccc([O-])c(-c2nc([C@H]3CCCN(C(C)=O)C3)no2)c1 ZINC000350563944 427945875 /nfs/dbraw/zinc/94/58/75/427945875.db2.gz DFUFZGDXLWEIMZ-ZDUSSCGKSA-N -1 3 315.373 2.731 20 0 DFADHM Cc1oc(-c2cnn(C)c2)nc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350567646 427946480 /nfs/dbraw/zinc/94/64/80/427946480.db2.gz SRCBNAFVJOHSNT-UHFFFAOYSA-N -1 3 323.312 2.806 20 0 DFADHM CCc1ccc([O-])c(-c2nc([C@@H]3CC(=O)N(C(C)C)C3)no2)c1 ZINC000350571940 427948420 /nfs/dbraw/zinc/94/84/20/427948420.db2.gz DLBUDWXZJCCSLX-GFCCVEGCSA-N -1 3 315.373 2.729 20 0 DFADHM C[C@@H](c1nc(-c2ccc([O-])c3ccccc23)no1)n1cncn1 ZINC000350587836 427949686 /nfs/dbraw/zinc/94/96/86/427949686.db2.gz TYCSMDIMOVHCSR-JTQLQIEISA-N -1 3 307.313 2.796 20 0 DFADHM NC(=O)CCCCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000350589220 427949898 /nfs/dbraw/zinc/94/98/98/427949898.db2.gz VECHNWWSAFGVBF-UHFFFAOYSA-N -1 3 311.341 2.794 20 0 DFADHM [O-]c1ccc(-c2noc(-c3ccc(-n4ccnn4)cc3)n2)cc1 ZINC000350589609 427951399 /nfs/dbraw/zinc/95/13/99/427951399.db2.gz ZGOJBRRLPGSZIU-UHFFFAOYSA-N -1 3 305.297 2.690 20 0 DFADHM CCc1ccc([O-])c(-c2nc([C@@H]3CN(C(C)C)CCO3)no2)c1 ZINC000350578972 427951455 /nfs/dbraw/zinc/95/14/55/427951455.db2.gz XIRBRQNBRMQUSQ-HNNXBMFYSA-N -1 3 317.389 2.786 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)n1 ZINC000345918469 427951582 /nfs/dbraw/zinc/95/15/82/427951582.db2.gz AZADLCJIFLGTGU-UHFFFAOYSA-N -1 3 312.304 2.877 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000345922776 427953390 /nfs/dbraw/zinc/95/33/90/427953390.db2.gz GILXPVCCSYDWJI-UHFFFAOYSA-N -1 3 312.304 2.877 20 0 DFADHM CN(Cc1nccs1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000346115774 428024655 /nfs/dbraw/zinc/02/46/55/428024655.db2.gz WHRPMFGSDOIFKI-UHFFFAOYSA-N -1 3 308.378 2.969 20 0 DFADHM CC(C)N1CCO[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000351214574 428036614 /nfs/dbraw/zinc/03/66/14/428036614.db2.gz HTUHILFGUAYRIA-ZDUSSCGKSA-N -1 3 323.780 2.877 20 0 DFADHM CCc1ccc([O-])c(-c2nc(C3CCN(OC)CC3)no2)c1 ZINC000351247741 428046924 /nfs/dbraw/zinc/04/69/24/428046924.db2.gz ZTYJFPJRWKXBRI-UHFFFAOYSA-N -1 3 303.362 2.745 20 0 DFADHM O=C([N-]c1nncn1C1CC1)c1cc(-c2ccc(F)cc2)on1 ZINC000356165411 428049205 /nfs/dbraw/zinc/04/92/05/428049205.db2.gz OLHWMSHVFNDFPS-UHFFFAOYSA-N -1 3 313.292 2.659 20 0 DFADHM CCCN1C[C@H](c2noc(-c3ccc(C)c(C)c3[O-])n2)CC1=O ZINC000351273605 428052336 /nfs/dbraw/zinc/05/23/36/428052336.db2.gz JVNNIDNLGSSZPT-GFCCVEGCSA-N -1 3 315.373 2.785 20 0 DFADHM COC(=O)[C@H]1CCCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356049486 427999500 /nfs/dbraw/zinc/99/95/00/427999500.db2.gz DIXYEBMVRPFLTI-CYBMUJFWSA-N -1 3 317.307 2.939 20 0 DFADHM CO[C@H](C)c1nc(=NCCN2CC=C(C(C)(C)C)CC2)s[n-]1 ZINC000413284992 428011120 /nfs/dbraw/zinc/01/11/20/428011120.db2.gz WOPKZZHDSDUACU-GFCCVEGCSA-N -1 3 324.494 2.758 20 0 DFADHM CO[C@H](C)c1nsc(=NCCN2CC=C(C(C)(C)C)CC2)[n-]1 ZINC000413284992 428011126 /nfs/dbraw/zinc/01/11/26/428011126.db2.gz WOPKZZHDSDUACU-GFCCVEGCSA-N -1 3 324.494 2.758 20 0 DFADHM CCOc1cc(-c2noc(C3(CF)CCOCC3)n2)ccc1[O-] ZINC000351092555 428011673 /nfs/dbraw/zinc/01/16/73/428011673.db2.gz IOIFGMADYZDJCC-UHFFFAOYSA-N -1 3 322.336 2.859 20 0 DFADHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000341202891 428011876 /nfs/dbraw/zinc/01/18/76/428011876.db2.gz RWQMQWADEPWHHE-CABZTGNLSA-N -1 3 321.801 2.573 20 0 DFADHM CO[C@](C)([C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000413310969 428016680 /nfs/dbraw/zinc/01/66/80/428016680.db2.gz OBWVFIONGSCHFX-QLJPJBMISA-N -1 3 310.369 2.534 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC(Oc2ccccc2)CC1 ZINC000369624304 428018884 /nfs/dbraw/zinc/01/88/84/428018884.db2.gz XEUQKYXDYUEDLS-UHFFFAOYSA-N -1 3 304.371 2.532 20 0 DFADHM Cc1ccc([O-])c(CN[C@@H](CO)c2cccc(Cl)c2F)n1 ZINC000341459935 428072347 /nfs/dbraw/zinc/07/23/47/428072347.db2.gz IBXRECUPJFHMRD-ZDUSSCGKSA-N -1 3 310.756 2.711 20 0 DFADHM COc1cccc(C(=O)N2CC(COc3ccccc3)C2)c1[O-] ZINC000377163726 428074181 /nfs/dbraw/zinc/07/41/81/428074181.db2.gz STHSTRNFHTYARX-UHFFFAOYSA-N -1 3 313.353 2.552 20 0 DFADHM O=c1cc(-c2noc([C@@H]3CCCO[C@H]3c3ccccc3)n2)nc[n-]1 ZINC000351367268 428075607 /nfs/dbraw/zinc/07/56/07/428075607.db2.gz IKDDFXRUCZEAJM-DOMZBBRYSA-N -1 3 324.340 2.868 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2C)c(F)c1 ZINC000359923538 428078772 /nfs/dbraw/zinc/07/87/72/428078772.db2.gz KZTNQPACNWVMDS-MNOVXSKESA-N -1 3 301.383 2.549 20 0 DFADHM O=C(c1c[n-]c2ccncc2c1=O)N1CCC[C@@H]1c1ccccc1 ZINC000341479557 428081105 /nfs/dbraw/zinc/08/11/05/428081105.db2.gz YOMXHJFJEBCLEG-QGZVFWFLSA-N -1 3 319.364 2.900 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC2(C1)CCCOC2 ZINC000377196629 428081337 /nfs/dbraw/zinc/08/13/37/428081337.db2.gz XKZJJIKZUOZCKO-UHFFFAOYSA-N -1 3 315.291 2.664 20 0 DFADHM Cc1cc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)ccc1[O-] ZINC000341529377 428092184 /nfs/dbraw/zinc/09/21/84/428092184.db2.gz LRKGBEXJRSQMCE-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM COc1ccc(C(=O)N2CCC[C@H]2c2nccs2)c([O-])c1 ZINC000369971533 428098857 /nfs/dbraw/zinc/09/88/57/428098857.db2.gz AWUDXSKHRSRIAS-LBPRGKRZSA-N -1 3 304.371 2.835 20 0 DFADHM O=S(=O)([N-]CCCCO)c1c(Cl)ccc2ccccc21 ZINC000341542987 428099940 /nfs/dbraw/zinc/09/99/40/428099940.db2.gz UIMCBEDIKHIVSZ-UHFFFAOYSA-N -1 3 313.806 2.544 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C2)c(F)c1 ZINC000359995438 428108349 /nfs/dbraw/zinc/10/83/49/428108349.db2.gz SSINQHKEKYYTFC-SNVBAGLBSA-N -1 3 301.383 2.691 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCCC[C@H](CO)C2)c([O-])c1 ZINC000370020712 428113719 /nfs/dbraw/zinc/11/37/19/428113719.db2.gz OSXJHBRMGSFUGF-AWEZNQCLSA-N -1 3 321.417 2.806 20 0 DFADHM COc1ccc([O-])c(C(=O)N(C)[C@@H]2CCCc3cccnc32)c1 ZINC000377370264 428113809 /nfs/dbraw/zinc/11/38/09/428113809.db2.gz BFYRITOYHNUAMN-OAHLLOKOSA-N -1 3 312.369 2.945 20 0 DFADHM CCOc1nc2cc(C(=O)N(C)CCc3ccncc3)ccc2[n-]1 ZINC000346306206 428116595 /nfs/dbraw/zinc/11/65/95/428116595.db2.gz MMTZFLGFQMDUOY-UHFFFAOYSA-N -1 3 324.384 2.671 20 0 DFADHM CCOc1nc2ccc(C(=O)N(C)CCc3ccncc3)cc2[n-]1 ZINC000346306206 428116597 /nfs/dbraw/zinc/11/65/97/428116597.db2.gz MMTZFLGFQMDUOY-UHFFFAOYSA-N -1 3 324.384 2.671 20 0 DFADHM O=S(=O)([N-][C@@H]1COc2cccc(Cl)c21)c1cccs1 ZINC000377386118 428117136 /nfs/dbraw/zinc/11/71/36/428117136.db2.gz VOGBVOUIBFOIEH-SECBINFHSA-N -1 3 315.803 2.814 20 0 DFADHM O=S(=O)(Cc1ccccc1)[N-][C@@H]1COc2cccc(Cl)c21 ZINC000377384518 428118774 /nfs/dbraw/zinc/11/87/74/428118774.db2.gz NPIQTBFWTWKUIM-CYBMUJFWSA-N -1 3 323.801 2.893 20 0 DFADHM O=C(Nc1ccn(-c2ccccc2)n1)c1cc([O-])ccc1Cl ZINC000352296980 428132380 /nfs/dbraw/zinc/13/23/80/428132380.db2.gz YTPVDYGOBOKGOY-UHFFFAOYSA-N -1 3 313.744 3.484 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)C(C)(C)C(F)F)n[n-]1 ZINC000352548737 428144177 /nfs/dbraw/zinc/14/41/77/428144177.db2.gz VKYHJSQBDHTKRP-UHFFFAOYSA-N -1 3 310.304 2.710 20 0 DFADHM C[C@@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2cncc(F)c2)C1 ZINC000360071278 428144564 /nfs/dbraw/zinc/14/45/64/428144564.db2.gz ZDHZIJJOSLHGAG-NEPJUHHUSA-N -1 3 300.399 2.715 20 0 DFADHM [O-]c1ccc(C(F)(F)F)c(-c2nc(Cc3ccncn3)no2)c1 ZINC000346399823 428155969 /nfs/dbraw/zinc/15/59/69/428155969.db2.gz FWASXUOJOZVWEH-UHFFFAOYSA-N -1 3 322.246 2.842 20 0 DFADHM O=C(Nc1cnc(CC2CC2)nc1)c1c[n-]c2ccccc2c1=O ZINC000356404461 428165230 /nfs/dbraw/zinc/16/52/30/428165230.db2.gz VSLTZDUNMMWUBV-UHFFFAOYSA-N -1 3 320.352 2.523 20 0 DFADHM O=C(Nc1cnc(CC2CC2)nc1)c1cnc2ccccc2c1[O-] ZINC000356404461 428165234 /nfs/dbraw/zinc/16/52/34/428165234.db2.gz VSLTZDUNMMWUBV-UHFFFAOYSA-N -1 3 320.352 2.523 20 0 DFADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(C)(C)O ZINC000360107114 428166473 /nfs/dbraw/zinc/16/64/73/428166473.db2.gz HTEAVVYNAHSPJD-LBPRGKRZSA-N -1 3 323.817 2.553 20 0 DFADHM C[C@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)C[C@H](C)S1=O ZINC000356411186 428166825 /nfs/dbraw/zinc/16/68/25/428166825.db2.gz XNYNDPYUMDTWOJ-UWVGGRQHSA-N -1 3 321.364 2.752 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)c1 ZINC000413969872 428175294 /nfs/dbraw/zinc/17/52/94/428175294.db2.gz FMEVZMSTHBBMSY-INIZCTEOSA-N -1 3 303.402 2.978 20 0 DFADHM O=[S@@](Cc1csc(-c2ncccn2)n1)c1ccc([O-])cc1 ZINC000341746165 428179484 /nfs/dbraw/zinc/17/94/84/428179484.db2.gz SMAOWDJTBIVMDP-NRFANRHFSA-N -1 3 317.395 2.614 20 0 DFADHM COc1ccc(CNCc2ncccc2[O-])c(Br)c1 ZINC000352697427 428209427 /nfs/dbraw/zinc/20/94/27/428209427.db2.gz BRUIEGUUPAHIPY-UHFFFAOYSA-N -1 3 323.190 2.848 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)c(F)c1 ZINC000360233583 428215645 /nfs/dbraw/zinc/21/56/45/428215645.db2.gz IOCIWXXBLLKPMP-GHMZBOCLSA-N -1 3 301.383 2.691 20 0 DFADHM O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc([O-])ccc1Cl ZINC000377765045 428221250 /nfs/dbraw/zinc/22/12/50/428221250.db2.gz SKPJWRRKVBXPNT-LBPRGKRZSA-N -1 3 321.764 2.673 20 0 DFADHM CCCn1c(=O)[n-]nc1SCc1csc([C@@H](C)OC)n1 ZINC000356541335 428226261 /nfs/dbraw/zinc/22/62/61/428226261.db2.gz LIBJNNGNCQAORM-MRVPVSSYSA-N -1 3 314.436 2.850 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000341855710 428230978 /nfs/dbraw/zinc/23/09/78/428230978.db2.gz USJQVTDOFSIKIE-LLVKDONJSA-N -1 3 301.394 2.801 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000341855710 428230983 /nfs/dbraw/zinc/23/09/83/428230983.db2.gz USJQVTDOFSIKIE-LLVKDONJSA-N -1 3 301.394 2.801 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H](OC)[C@H](C)CC)c([O-])c1 ZINC000356550684 428231258 /nfs/dbraw/zinc/23/12/58/428231258.db2.gz ROGWLUNZPBLEPQ-YGRLFVJLSA-N -1 3 309.362 2.569 20 0 DFADHM CC(C)[C@@H](C)S(=O)(=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000414215537 428234728 /nfs/dbraw/zinc/23/47/28/428234728.db2.gz XPFBLSITZLYGNJ-GFCCVEGCSA-N -1 3 320.414 2.809 20 0 DFADHM COCCc1ccnc([N-]C(=O)c2noc(-c3ccccc3)n2)c1 ZINC000341872766 428236509 /nfs/dbraw/zinc/23/65/09/428236509.db2.gz FLBTUOYNHHTGPH-UHFFFAOYSA-N -1 3 324.340 2.573 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346613783 428239692 /nfs/dbraw/zinc/23/96/92/428239692.db2.gz NLUJNLXRJCDMSG-XJKSGUPXSA-N -1 3 309.381 2.785 20 0 DFADHM O=C(c1cccc2[nH]c(=O)oc21)N1CCCc2cccc([O-])c21 ZINC000352666449 428191731 /nfs/dbraw/zinc/19/17/31/428191731.db2.gz WIQUFPKGAMQHNN-UHFFFAOYSA-N -1 3 310.309 2.832 20 0 DFADHM COC1(C[N-]S(=O)(=O)c2cccs2)CCC(C)CC1 ZINC000360192122 428198851 /nfs/dbraw/zinc/19/88/51/428198851.db2.gz ATVJVNNJMMFOPG-UHFFFAOYSA-N -1 3 303.449 2.622 20 0 DFADHM COc1cc2c(cc1C=Cc1cc(=O)[n-]c(C3CC3)n1)OCO2 ZINC000414079528 428201028 /nfs/dbraw/zinc/20/10/28/428201028.db2.gz RWSMCYIHEYNKDG-SNAWJCMRSA-N -1 3 312.325 2.967 20 0 DFADHM COc1nc(NC(=O)CCc2ccc(-c3ccccc3)o2)n[n-]1 ZINC000352688350 428202262 /nfs/dbraw/zinc/20/22/62/428202262.db2.gz XBZCUPXXOYPKKK-UHFFFAOYSA-N -1 3 312.329 2.645 20 0 DFADHM COc1nnc(NC(=O)CCc2ccc(-c3ccccc3)o2)[n-]1 ZINC000352688350 428202270 /nfs/dbraw/zinc/20/22/70/428202270.db2.gz XBZCUPXXOYPKKK-UHFFFAOYSA-N -1 3 312.329 2.645 20 0 DFADHM COc1n[n-]c(NC(=O)CCc2ccc(-c3ccccc3)o2)n1 ZINC000352688350 428202272 /nfs/dbraw/zinc/20/22/72/428202272.db2.gz XBZCUPXXOYPKKK-UHFFFAOYSA-N -1 3 312.329 2.645 20 0 DFADHM CC1(C)[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@H]2CCCO[C@@H]21 ZINC000377929077 428263550 /nfs/dbraw/zinc/26/35/50/428263550.db2.gz UNNSQVFGJWLLQX-HONMWMINSA-N -1 3 309.793 2.979 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)c1ccco1)c1cccc(Cl)c1 ZINC000341966122 428264229 /nfs/dbraw/zinc/26/42/29/428264229.db2.gz YAOVFUUICXORDO-LBPRGKRZSA-N -1 3 315.778 2.599 20 0 DFADHM COCCC1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCC1 ZINC000360381025 428276439 /nfs/dbraw/zinc/27/64/39/428276439.db2.gz ZVWSKMNYTPDUIZ-UHFFFAOYSA-N -1 3 321.801 2.717 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC(c2c[nH]cn2)CC1 ZINC000377980562 428277817 /nfs/dbraw/zinc/27/78/17/428277817.db2.gz BCXRNULPLVJJIX-UHFFFAOYSA-N -1 3 305.765 2.789 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]CCCc2ccccc2F)s1 ZINC000360384737 428278796 /nfs/dbraw/zinc/27/87/96/428278796.db2.gz 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/nfs/dbraw/zinc/29/24/52/428292452.db2.gz HJUCZJUEJXKHGJ-UHFFFAOYSA-N -1 3 315.373 2.848 20 0 DFADHM CCc1cc(C(=O)Nc2cccc(Cn3cncn3)c2)ccc1[O-] ZINC000341917180 428249706 /nfs/dbraw/zinc/24/97/06/428249706.db2.gz MKFYJORVQQHAIO-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM C[C@@H]1C[C@H](CNC(=O)CCCc2ccc([O-])c(F)c2)CCO1 ZINC000346640771 428250846 /nfs/dbraw/zinc/25/08/46/428250846.db2.gz RYHIPOWXJBLELX-TZMCWYRMSA-N -1 3 309.381 2.785 20 0 DFADHM O=C(NCCc1cc(C(F)(F)F)ccn1)c1cccc([O-])c1 ZINC000356628903 428259231 /nfs/dbraw/zinc/25/92/31/428259231.db2.gz WGULXKWTRGYRCK-UHFFFAOYSA-N -1 3 310.275 2.779 20 0 DFADHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000414460517 428305348 /nfs/dbraw/zinc/30/53/48/428305348.db2.gz NOJBTXNFUQDOLK-UHFFFAOYSA-N -1 3 310.444 2.919 20 0 DFADHM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1cc(F)cc(F)c1 ZINC000342118761 428308453 /nfs/dbraw/zinc/30/84/53/428308453.db2.gz XTVWAEUDUBABDM-UHFFFAOYSA-N -1 3 322.336 2.925 20 0 DFADHM Cc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1CN(C)C 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C[C@@H]1[C@H](C(=O)[N-][C@H](c2nccs2)C(F)(F)F)C1(F)F ZINC000356876171 428344209 /nfs/dbraw/zinc/34/42/09/428344209.db2.gz UQFNKMLTUUVSCZ-HSUXUTPPSA-N -1 3 300.252 2.764 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(NCC2CC2)nc1 ZINC000346848730 428345797 /nfs/dbraw/zinc/34/57/97/428345797.db2.gz QQCAKQLDTDKSSV-UHFFFAOYSA-N -1 3 317.776 3.515 20 0 DFADHM Cc1noc(C(C)(C)NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000356888445 428351308 /nfs/dbraw/zinc/35/13/08/428351308.db2.gz CQAVELYIEFJWCB-UHFFFAOYSA-N -1 3 321.352 2.597 20 0 DFADHM CCc1cc(O)ccc1NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000360575500 428354982 /nfs/dbraw/zinc/35/49/82/428354982.db2.gz YISWOFXMXUSOLP-UHFFFAOYSA-N -1 3 319.386 2.733 20 0 DFADHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000414453507 428302668 /nfs/dbraw/zinc/30/26/68/428302668.db2.gz BSVLYCRTZYCJET-UHFFFAOYSA-N -1 3 304.415 2.857 20 0 DFADHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000414465306 428303551 /nfs/dbraw/zinc/30/35/51/428303551.db2.gz WZCVWAWWDGMEIE-UHFFFAOYSA-N -1 3 322.405 2.997 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccon1 ZINC000342352963 428414138 /nfs/dbraw/zinc/41/41/38/428414138.db2.gz VLDQQLZBKAONJP-ZETCQYMHSA-N -1 3 304.730 2.507 20 0 DFADHM CCN(CC)[C@@H](CNC(=O)c1ncccc1[O-])c1ccsc1 ZINC000357117181 428397402 /nfs/dbraw/zinc/39/74/02/428397402.db2.gz NPERLQWJLOTVBF-ZDUSSCGKSA-N -1 3 319.430 2.662 20 0 DFADHM COc1cc(Br)ccc1CN(C)CCCC(=O)[O-] ZINC000414634221 428362158 /nfs/dbraw/zinc/36/21/58/428362158.db2.gz BFFGXQPIIPAEDQ-UHFFFAOYSA-N -1 3 316.195 2.754 20 0 DFADHM COC(=O)c1ccccc1-c1ccc(CN[C@H](C)CC(=O)[O-])o1 ZINC000414639336 428362736 /nfs/dbraw/zinc/36/27/36/428362736.db2.gz PUHKLICTBHOXCT-LLVKDONJSA-N -1 3 317.341 2.686 20 0 DFADHM CSCc1ccccc1NC(=O)NCc1ncccc1[O-] ZINC000346911046 428368779 /nfs/dbraw/zinc/36/87/79/428368779.db2.gz MTZMBOKVMOMSIX-UHFFFAOYSA-N -1 3 303.387 2.972 20 0 DFADHM Cc1ccnn1-c1ccccc1NC(=O)NCc1ncccc1[O-] ZINC000346912417 428369689 /nfs/dbraw/zinc/36/96/89/428369689.db2.gz NLADKRNMSGSRTI-UHFFFAOYSA-N -1 3 323.356 2.603 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000360621212 428369915 /nfs/dbraw/zinc/36/99/15/428369915.db2.gz SFUIQPDIKOWAIS-BREBYQMCSA-N -1 3 300.424 2.642 20 0 DFADHM O=C(NCc1cscn1)c1c[n-]c2c(Cl)cccc2c1=O ZINC000342276292 428378634 /nfs/dbraw/zinc/37/86/34/428378634.db2.gz ZVYAHKFKHXVUIC-UHFFFAOYSA-N -1 3 319.773 2.568 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@]2(C)CCCOC2)sc1Cl ZINC000353095267 428383893 /nfs/dbraw/zinc/38/38/93/428383893.db2.gz GBFNZCYUOXVMHI-NSHDSACASA-N -1 3 309.840 2.557 20 0 DFADHM O=C(CC/C=C\c1ccccc1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000360835703 428456038 /nfs/dbraw/zinc/45/60/38/428456038.db2.gz LHXOXNCWAGGWNP-YWEYNIOJSA-N -1 3 324.306 2.933 20 0 DFADHM O=C(CC/C=C\c1ccccc1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000360835703 428456045 /nfs/dbraw/zinc/45/60/45/428456045.db2.gz LHXOXNCWAGGWNP-YWEYNIOJSA-N -1 3 324.306 2.933 20 0 DFADHM O=C(CC/C=C\c1ccccc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000360835703 428456053 /nfs/dbraw/zinc/45/60/53/428456053.db2.gz LHXOXNCWAGGWNP-YWEYNIOJSA-N -1 3 324.306 2.933 20 0 DFADHM Cc1ccn2c(c1)nnc2NC(=O)c1cc([O-])ccc1Cl ZINC000342801493 428459793 /nfs/dbraw/zinc/45/97/93/428459793.db2.gz WZLNFLUJGHNLFO-UHFFFAOYSA-N -1 3 302.721 2.649 20 0 DFADHM CC1(C)CCC[C@H]1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000360843545 428461337 /nfs/dbraw/zinc/46/13/37/428461337.db2.gz YRMGBNFSVMGYEF-ZDUSSCGKSA-N -1 3 324.446 2.614 20 0 DFADHM C[C@H]1C[C@H]1c1ccc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)o1 ZINC000372238314 428424384 /nfs/dbraw/zinc/42/43/84/428424384.db2.gz XJNYMGQUKYPJIA-WCBMZHEXSA-N -1 3 316.748 3.351 20 0 DFADHM C[C@H]1COCC[C@@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000342845133 428470057 /nfs/dbraw/zinc/47/00/57/428470057.db2.gz AHVZNUSGOFRYEV-GXTWGEPZSA-N -1 3 309.381 2.643 20 0 DFADHM Cc1nc(C2(NC(=O)c3cccc([O-])c3)CCCCC2)no1 ZINC000357332407 428486013 /nfs/dbraw/zinc/48/60/13/428486013.db2.gz BJLHULHKSQQUGZ-UHFFFAOYSA-N -1 3 301.346 2.673 20 0 DFADHM CC/C=C\C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000395167753 428493594 /nfs/dbraw/zinc/49/35/94/428493594.db2.gz PUHYKRVJLLPDMJ-ARJAWSKDSA-N -1 3 322.199 2.833 20 0 DFADHM C[C@@H](CC(C)(C)C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000357364569 428502780 /nfs/dbraw/zinc/50/27/80/428502780.db2.gz NNALFVJGVKSCJA-NSHDSACASA-N -1 3 301.394 2.801 20 0 DFADHM C[C@@H](CC(C)(C)C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000357364569 428502784 /nfs/dbraw/zinc/50/27/84/428502784.db2.gz NNALFVJGVKSCJA-NSHDSACASA-N -1 3 301.394 2.801 20 0 DFADHM Cc1nc([C@@H]2CCCO2)sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000343015390 428507249 /nfs/dbraw/zinc/50/72/49/428507249.db2.gz ZWPWCHICMXVLFX-NSHDSACASA-N -1 3 319.386 2.964 20 0 DFADHM C[C@H]1C[C@@H](Nc2ncccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000398052428 428517974 /nfs/dbraw/zinc/51/79/74/428517974.db2.gz UGXPWLYMAYXENL-DZGCQCFKSA-N -1 3 311.385 2.855 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)[n-]c(=O)n1 ZINC000343158313 428529381 /nfs/dbraw/zinc/52/93/81/428529381.db2.gz POOQKQVBXLCRHZ-GFCCVEGCSA-N -1 3 315.373 2.769 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2cc(C)c(O)c(C)c2C)c[n-]1 ZINC000347155013 428471257 /nfs/dbraw/zinc/47/12/57/428471257.db2.gz HFFUHHQFKKDYJR-UHFFFAOYSA-N -1 3 302.330 2.684 20 0 DFADHM Cc1ccc([O-])c(CN(Cc2ccccc2)CC2(CO)CC2)n1 ZINC000342866807 428476848 /nfs/dbraw/zinc/47/68/48/428476848.db2.gz ZONYFYHHKKQVFN-UHFFFAOYSA-N -1 3 312.413 2.870 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1c[n-]nn1 ZINC000347448348 428580547 /nfs/dbraw/zinc/58/05/47/428580547.db2.gz CPKJMQLWWYJRSX-NWDGAFQWSA-N -1 3 324.306 2.890 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1cnn[n-]1 ZINC000347448348 428580549 /nfs/dbraw/zinc/58/05/49/428580549.db2.gz CPKJMQLWWYJRSX-NWDGAFQWSA-N -1 3 324.306 2.890 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1cn[n-]n1 ZINC000347448348 428580556 /nfs/dbraw/zinc/58/05/56/428580556.db2.gz CPKJMQLWWYJRSX-NWDGAFQWSA-N -1 3 324.306 2.890 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000343182009 428532222 /nfs/dbraw/zinc/53/22/22/428532222.db2.gz 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Cc1nn(C)c(NC(=O)CCCc2ccc([O-])c(F)c2)c1C ZINC000345597326 428952414 /nfs/dbraw/zinc/95/24/14/428952414.db2.gz KVBPSRQBCCNMOG-UHFFFAOYSA-N -1 3 305.353 2.843 20 0 DFADHM O=C(NCCc1cccc2ccccc21)NCc1ncccc1[O-] ZINC000349322638 428962570 /nfs/dbraw/zinc/96/25/70/428962570.db2.gz MKPQQHATODRKOX-UHFFFAOYSA-N -1 3 321.380 2.982 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1[O-] ZINC000412169102 428970673 /nfs/dbraw/zinc/97/06/73/428970673.db2.gz RMLAUJRUZLPNQT-OAHLLOKOSA-N -1 3 313.357 2.685 20 0 DFADHM CCCN1C[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CC1=O ZINC000412320549 429017240 /nfs/dbraw/zinc/01/72/40/429017240.db2.gz MRAVVBSZMUZXAU-LBPRGKRZSA-N -1 3 318.417 2.887 20 0 DFADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000451988880 429033513 /nfs/dbraw/zinc/03/35/13/429033513.db2.gz KMCARTKZACKPOM-ISVAXAHUSA-N -1 3 321.801 2.571 20 0 DFADHM COc1ccc(C(=O)N(C)C2CC(OC(C)(C)C)C2)c([O-])c1 ZINC000421688716 429010345 /nfs/dbraw/zinc/01/03/45/429010345.db2.gz 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O=C1OCCN1c1cccc(-c2nc3ccc(O)cc3c(=O)[n-]2)c1 ZINC000494641673 429133302 /nfs/dbraw/zinc/13/33/02/429133302.db2.gz RYKKRFJBKOBBPT-UHFFFAOYSA-N -1 3 323.308 2.665 20 0 DFADHM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000363918479 429138913 /nfs/dbraw/zinc/13/89/13/429138913.db2.gz QMFHJDXHWIHIFI-OCCSQVGLSA-N -1 3 322.836 2.673 20 0 DFADHM CCC(=O)c1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000435711925 429160061 /nfs/dbraw/zinc/16/00/61/429160061.db2.gz VEEYBDIHOLOICQ-UHFFFAOYSA-N -1 3 323.356 2.655 20 0 DFADHM CCC(=O)c1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000435711925 429160064 /nfs/dbraw/zinc/16/00/64/429160064.db2.gz VEEYBDIHOLOICQ-UHFFFAOYSA-N -1 3 323.356 2.655 20 0 DFADHM CC(C)CCOc1ccc(CNC[C@H]2OCC[C@@H]2C(=O)[O-])cc1 ZINC000424622303 429165171 /nfs/dbraw/zinc/16/51/71/429165171.db2.gz PWUUAVOZSXHWDF-DLBZAZTESA-N -1 3 321.417 2.691 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc2c(c1)CCCC2=O ZINC000339858494 275001673 /nfs/dbraw/zinc/00/16/73/275001673.db2.gz 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CCC[C@@H](C)c1cc(NC(=O)c2cccc(OC)c2[O-])n[nH]1 ZINC000439918107 429223224 /nfs/dbraw/zinc/22/32/24/429223224.db2.gz ILWBQQQACOQEJT-SNVBAGLBSA-N -1 3 303.362 3.280 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C3CCOCC3)CC2)n1 ZINC000364437797 429201595 /nfs/dbraw/zinc/20/15/95/429201595.db2.gz CASVHDDLWCMLHY-ZDUSSCGKSA-N -1 3 305.422 2.690 20 0 DFADHM Cc1cn(C2CCCCC2)nc1NC(=O)c1c([O-])cccc1O ZINC000436857544 429202637 /nfs/dbraw/zinc/20/26/37/429202637.db2.gz CUWSAVCALUANOE-UHFFFAOYSA-N -1 3 315.373 3.360 20 0 DFADHM Cc1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])n[nH]1 ZINC000436936330 429204241 /nfs/dbraw/zinc/20/42/41/429204241.db2.gz BGCPSRBBRCIHFW-UHFFFAOYSA-N -1 3 307.353 3.267 20 0 DFADHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000442767431 429235191 /nfs/dbraw/zinc/23/51/91/429235191.db2.gz MTKXFFYGISGQBW-JQWIXIFHSA-N -1 3 302.827 2.982 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCCC(C)(C)C2)s1 ZINC000442769778 429235385 /nfs/dbraw/zinc/23/53/85/429235385.db2.gz 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Cc1ccc(/C=C\C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000492537180 429560408 /nfs/dbraw/zinc/56/04/08/429560408.db2.gz RGIYYQROGQCRQO-IQQGHNRFSA-N -1 3 324.377 2.562 20 0 DFADHM O=C(/C=C\c1ccc(Br)cc1)[N-]OCC(F)F ZINC000492557431 429565635 /nfs/dbraw/zinc/56/56/35/429565635.db2.gz CHIWKDJEIRMSHK-UTCJRWHESA-N -1 3 306.106 2.775 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C[C@@H]1C ZINC000450110030 429567510 /nfs/dbraw/zinc/56/75/10/429567510.db2.gz BNYRISOPPNLRCC-DYEKYZERSA-N -1 3 313.405 2.801 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C[C@@H]1C ZINC000450110030 429567515 /nfs/dbraw/zinc/56/75/15/429567515.db2.gz BNYRISOPPNLRCC-DYEKYZERSA-N -1 3 313.405 2.801 20 0 DFADHM Cc1ccccc1C1(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000521896585 429568210 /nfs/dbraw/zinc/56/82/10/429568210.db2.gz RUYVNUUONSTUNU-UHFFFAOYSA-N -1 3 323.396 2.830 20 0 DFADHM Cc1ncc(CNC(=O)C=Cc2ccc3ccccc3c2)c(=O)[n-]1 ZINC000492586561 429571355 /nfs/dbraw/zinc/57/13/55/429571355.db2.gz 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/nfs/dbraw/zinc/53/60/18/429536018.db2.gz DXNXIUWMXIUSAJ-UHFFFAOYSA-N -1 3 316.313 2.831 20 0 DFADHM Cc1cc(F)ccc1CCNC(=O)/C=C\c1cncc([O-])c1 ZINC000492443268 429539058 /nfs/dbraw/zinc/53/90/58/429539058.db2.gz PLKZUBNVTJDWSL-DJWKRKHSSA-N -1 3 300.333 2.607 20 0 DFADHM C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000521257289 429545324 /nfs/dbraw/zinc/54/53/24/429545324.db2.gz HUKQVBZHBFOUHS-WZRBSPASSA-N -1 3 301.346 2.593 20 0 DFADHM CC1(C)CN(C(=O)/C=C\c2cncc([O-])c2)[C@H]1c1cccnc1 ZINC000492787410 429615460 /nfs/dbraw/zinc/61/54/60/429615460.db2.gz BXPVQFSXSHUKMP-OSJSJHBBSA-N -1 3 309.369 2.805 20 0 DFADHM Cc1cc2cc(CNC(=O)/C=C\c3cncc([O-])c3)ccc2[nH]1 ZINC000492802147 429619800 /nfs/dbraw/zinc/61/98/00/429619800.db2.gz QAWDYFFMOPQJSA-HYXAFXHYSA-N -1 3 307.353 2.907 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc2ncccc2c1 ZINC000524668007 429627464 /nfs/dbraw/zinc/62/74/64/429627464.db2.gz QAEKRXOMWGUFLI-UHFFFAOYSA-N -1 3 324.340 2.695 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc2ncccc2c1 ZINC000524668007 429627466 /nfs/dbraw/zinc/62/74/66/429627466.db2.gz QAEKRXOMWGUFLI-UHFFFAOYSA-N -1 3 324.340 2.695 20 0 DFADHM Cc1cccc(C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000458366207 429627487 /nfs/dbraw/zinc/62/74/87/429627487.db2.gz ULGFWQFDJZBSDX-LBPRGKRZSA-N -1 3 307.390 2.750 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@H](C)Oc2ccc(C)cc2)c1 ZINC000524744970 429633003 /nfs/dbraw/zinc/63/30/03/429633003.db2.gz IUYBSZBLYIGJKJ-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM CC(=O)c1cc(NC(=O)C=Cc2cncc([O-])c2)ccc1F ZINC000492880790 429635501 /nfs/dbraw/zinc/63/55/01/429635501.db2.gz NIFBLCNAGDQAPH-GORDUTHDSA-N -1 3 300.289 2.781 20 0 DFADHM CC(C)(C)[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(F)(F)F ZINC000524772535 429635549 /nfs/dbraw/zinc/63/55/49/429635549.db2.gz YGQYLXJRVOLROQ-LLVKDONJSA-N -1 3 300.284 2.665 20 0 DFADHM CC1(C)CN(C(=O)/C=C\c2cncc([O-])c2)[C@H]1c1ccncc1 ZINC000492896865 429639609 /nfs/dbraw/zinc/63/96/09/429639609.db2.gz 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ZINC000525864989 429682962 /nfs/dbraw/zinc/68/29/62/429682962.db2.gz ZHTVRVSRQHIYEV-UHFFFAOYSA-N -1 3 302.284 2.508 20 0 DFADHM CN(Cc1ccc(F)cc1F)C(=O)c1cccc2nn[n-]c21 ZINC000525864989 429682967 /nfs/dbraw/zinc/68/29/67/429682967.db2.gz ZHTVRVSRQHIYEV-UHFFFAOYSA-N -1 3 302.284 2.508 20 0 DFADHM CN(Cc1ccc(F)cc1F)C(=O)c1cccc2n[n-]nc21 ZINC000525864989 429682972 /nfs/dbraw/zinc/68/29/72/429682972.db2.gz ZHTVRVSRQHIYEV-UHFFFAOYSA-N -1 3 302.284 2.508 20 0 DFADHM COc1cc(C(=O)N(C)Cc2nc3ccccc3[nH]2)ccc1[O-] ZINC000525950161 429689557 /nfs/dbraw/zinc/68/95/57/429689557.db2.gz BNFUAALSLOGMBE-UHFFFAOYSA-N -1 3 311.341 2.549 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000156097318 276270234 /nfs/dbraw/zinc/27/02/34/276270234.db2.gz QPDJQMGZSLQPKU-IAQYHMDHSA-N -1 3 314.385 2.611 20 0 DFADHM COC(=O)c1c(C)nc(=O)[n-]c1SC[C@@H]1CCCC1(F)F ZINC000450733823 429687397 /nfs/dbraw/zinc/68/73/97/429687397.db2.gz ALVNIWLKHXEEQP-QMMMGPOBSA-N -1 3 318.345 2.805 20 0 DFADHM C[C@H](Sc1n[n-]c(CO)n1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000526068024 429699284 /nfs/dbraw/zinc/69/92/84/429699284.db2.gz ONYPXPOACSXZMJ-HMHCLHNZSA-N -1 3 321.446 2.563 20 0 DFADHM CCCc1nc(C)c([N-]C(=O)c2cc(C(=O)OCC)no2)s1 ZINC000450763278 429694945 /nfs/dbraw/zinc/69/49/45/429694945.db2.gz VVCRGBAQMDOHAS-UHFFFAOYSA-N -1 3 323.374 2.821 20 0 DFADHM O=C(NCc1c(F)cccc1Cl)c1cccc2nn[n-]c21 ZINC000526115623 429703957 /nfs/dbraw/zinc/70/39/57/429703957.db2.gz QLIAHUIRQLGNKQ-UHFFFAOYSA-N -1 3 304.712 2.680 20 0 DFADHM O=C(NCc1c(F)cccc1Cl)c1cccc2[n-]nnc21 ZINC000526115623 429703960 /nfs/dbraw/zinc/70/39/60/429703960.db2.gz QLIAHUIRQLGNKQ-UHFFFAOYSA-N -1 3 304.712 2.680 20 0 DFADHM O=C(NCc1c(F)cccc1Cl)c1cccc2n[n-]nc21 ZINC000526115623 429703964 /nfs/dbraw/zinc/70/39/64/429703964.db2.gz QLIAHUIRQLGNKQ-UHFFFAOYSA-N -1 3 304.712 2.680 20 0 DFADHM Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000526113525 429704045 /nfs/dbraw/zinc/70/40/45/429704045.db2.gz IQRNODCWQUXUNS-CYBMUJFWSA-N -1 3 306.369 2.896 20 0 DFADHM Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000526113525 429704050 /nfs/dbraw/zinc/70/40/50/429704050.db2.gz IQRNODCWQUXUNS-CYBMUJFWSA-N -1 3 306.369 2.896 20 0 DFADHM Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000526113525 429704053 /nfs/dbraw/zinc/70/40/53/429704053.db2.gz IQRNODCWQUXUNS-CYBMUJFWSA-N -1 3 306.369 2.896 20 0 DFADHM CCc1cccc(CC)c1NC(=O)[C@H](C)N(C)CCCC(=O)[O-] ZINC000430654908 429706827 /nfs/dbraw/zinc/70/68/27/429706827.db2.gz CGEZSEATZUKLHD-ZDUSSCGKSA-N -1 3 320.433 2.935 20 0 DFADHM CN(CCC(=O)[O-])Cc1c(-c2ccccc2)nc2ccccn21 ZINC000430666124 429707090 /nfs/dbraw/zinc/70/70/90/429707090.db2.gz SMIBUVNVFIZKJW-UHFFFAOYSA-N -1 3 309.369 2.908 20 0 DFADHM CC(C)c1ccccc1NC(=O)[C@@H](C)N(C)CCCC(=O)[O-] ZINC000430656325 429707499 /nfs/dbraw/zinc/70/74/99/429707499.db2.gz FHGMRJHKRFDXDM-CYBMUJFWSA-N -1 3 306.406 2.934 20 0 DFADHM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2csc(=O)[n-]2)c1 ZINC000526921027 429707818 /nfs/dbraw/zinc/70/78/18/429707818.db2.gz LEDYFXNWRQIMRW-NWDGAFQWSA-N -1 3 304.371 2.533 20 0 DFADHM C[C@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccnc(Cl)c1 ZINC000493190078 429708320 /nfs/dbraw/zinc/70/83/20/429708320.db2.gz NAQHDUIDWLSOFO-PBKGFPTLSA-N -1 3 303.749 2.726 20 0 DFADHM CCN(C(=O)CN(C)CCCC(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000430672069 429708885 /nfs/dbraw/zinc/70/88/85/429708885.db2.gz SLISXIMTXBMGJN-CYBMUJFWSA-N -1 3 324.396 2.532 20 0 DFADHM C[C@H](C(=O)Nc1cccc2ccccc21)N(C)CCCC(=O)[O-] ZINC000430678632 429709354 /nfs/dbraw/zinc/70/93/54/429709354.db2.gz NDIXEQXTXYSIQN-CYBMUJFWSA-N -1 3 314.385 2.963 20 0 DFADHM OC1(CSc2nnc([N-]c3ccccc3F)s2)CCC1 ZINC000466150340 429709560 /nfs/dbraw/zinc/70/95/60/429709560.db2.gz ZKHDJXVBTPGJSJ-UHFFFAOYSA-N -1 3 311.407 3.428 20 0 DFADHM CCCO[N-]C(=O)/C=C\c1cccc(OC)c1OC(F)F ZINC000493224899 429716833 /nfs/dbraw/zinc/71/68/33/429716833.db2.gz OJSVYWYDOBSLOS-FPLPWBNLSA-N -1 3 301.289 2.768 20 0 DFADHM COc1ccccc1CC(C)(C)NC(=O)c1cccc2nn[n-]c21 ZINC000527356800 429746667 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ZINC000527356628 429746797 /nfs/dbraw/zinc/74/67/97/429746797.db2.gz VEYDHHSDJQAUHJ-OAHLLOKOSA-N -1 3 324.409 2.718 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]Cc2cccc(Cl)c2)s1 ZINC000431092828 429741295 /nfs/dbraw/zinc/74/12/95/429741295.db2.gz FRRLGCGXWJLKMC-UHFFFAOYSA-N -1 3 302.808 2.583 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]12 ZINC000367914769 429742087 /nfs/dbraw/zinc/74/20/87/429742087.db2.gz ASKFFROWYPOELT-WQPKBKOASA-N -1 3 320.392 2.893 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]CC2(c3ccccc3)CCC2)s1 ZINC000431095359 429742275 /nfs/dbraw/zinc/74/22/75/429742275.db2.gz FOLRSSSPOWTYDD-UHFFFAOYSA-N -1 3 322.455 2.852 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)s1 ZINC000431084670 429742425 /nfs/dbraw/zinc/74/24/25/429742425.db2.gz OZDDUVVUSDRTEI-UHFFFAOYSA-N -1 3 316.835 2.626 20 0 DFADHM CCOc1nc2cc(C(=O)NCC(C)(C)OCC)ccc2[n-]1 ZINC000450978965 429742683 /nfs/dbraw/zinc/74/26/83/429742683.db2.gz HEXHNTVUHUZOAM-UHFFFAOYSA-N -1 3 305.378 2.507 20 0 DFADHM 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CC(C)N1CCC[C@@H](SCc2cc(=O)[n-]c(C3CC3)n2)C1=O ZINC000574060569 430007878 /nfs/dbraw/zinc/00/78/78/430007878.db2.gz IMCWGYNYLLJXJD-CYBMUJFWSA-N -1 3 321.446 2.692 20 0 DFADHM Cc1ccc([C@H]2CCN(S(=O)(=O)c3ccc([O-])cc3)C2)cc1 ZINC000574195896 430020158 /nfs/dbraw/zinc/02/01/58/430020158.db2.gz FMFQDGJWGAOXHJ-HNNXBMFYSA-N -1 3 317.410 2.879 20 0 DFADHM Cc1ccc(NC(=O)c2cc(C(F)F)[n-]n2)cc1C(=O)N(C)C ZINC000639912351 430021547 /nfs/dbraw/zinc/02/15/47/430021547.db2.gz WOZHPETYIPRNGG-UHFFFAOYSA-N -1 3 322.315 2.610 20 0 DFADHM CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2ccc(C(C)C)nc2C)C1 ZINC000574213377 430022026 /nfs/dbraw/zinc/02/20/26/430022026.db2.gz PZPQNPSGHWZOHN-CABCVRRESA-N -1 3 306.406 2.577 20 0 DFADHM Cn1[n-]c(CN[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)nc1=O ZINC000640106886 430090109 /nfs/dbraw/zinc/09/01/09/430090109.db2.gz NBJJAKKJHZRGGY-GJZGRUSLSA-N -1 3 314.433 2.561 20 0 DFADHM CCc1ccc([N-]S(=O)(=O)CC2(OC)CCC2)cc1F ZINC000634790742 430114346 /nfs/dbraw/zinc/11/43/46/430114346.db2.gz 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C[C@H](c1ccc2c(c1)CCC2)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000560889510 430070578 /nfs/dbraw/zinc/07/05/78/430070578.db2.gz XRCVBYQTTDOANB-SNVBAGLBSA-N -1 3 317.414 2.706 20 0 DFADHM O=C(Cc1cncc([O-])c1)NCC1(c2ccccc2)CCCC1 ZINC000561089120 430075364 /nfs/dbraw/zinc/07/53/64/430075364.db2.gz GQXIYKGLRTYXJY-UHFFFAOYSA-N -1 3 310.397 2.958 20 0 DFADHM O=C([O-])[C@@H]1CN(Cc2cccc3c2CCOC3)Cc2ccccc21 ZINC000634692189 430080709 /nfs/dbraw/zinc/08/07/09/430080709.db2.gz VZEYXCXNCLJXEI-LJQANCHMSA-N -1 3 323.392 2.943 20 0 DFADHM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cccc2c1CCOC2 ZINC000634691234 430080839 /nfs/dbraw/zinc/08/08/39/430080839.db2.gz CSTCVGRRBOCXGK-IBGZPJMESA-N -1 3 323.392 2.771 20 0 DFADHM COc1cccc([C@H](C(=O)[O-])N2CCc3ccsc3C2)c1 ZINC000634691939 430081307 /nfs/dbraw/zinc/08/13/07/430081307.db2.gz RDKDHDSFIAMYIW-OAHLLOKOSA-N -1 3 303.383 2.941 20 0 DFADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634697251 430083514 /nfs/dbraw/zinc/08/35/14/430083514.db2.gz 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COC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000580610256 430137878 /nfs/dbraw/zinc/13/78/78/430137878.db2.gz CLGRWOYFXKLZQV-QWRGUYRKSA-N -1 3 311.765 2.964 20 0 DFADHM CN(Cc1ccc2c(c1)OCCO2)Cc1ccccc1C(=O)[O-] ZINC000580719562 430147634 /nfs/dbraw/zinc/14/76/34/430147634.db2.gz GCIRFYLQKLWPKK-UHFFFAOYSA-N -1 3 313.353 2.788 20 0 DFADHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cc([O-])ccc2Cl)C12CCC2 ZINC000378142381 277314842 /nfs/dbraw/zinc/31/48/42/277314842.db2.gz YFCSHBANJYCUHL-QCZZGDTMSA-N -1 3 309.793 2.979 20 0 DFADHM O=C(NCC1CCC(F)(F)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000581558395 430219980 /nfs/dbraw/zinc/21/99/80/430219980.db2.gz OVYMXQNXOZZRRC-UHFFFAOYSA-N -1 3 311.332 2.615 20 0 DFADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000581498806 430214598 /nfs/dbraw/zinc/21/45/98/430214598.db2.gz KOVHORXJGLWVOI-GDBMZVCRSA-N -1 3 314.360 2.921 20 0 DFADHM CCC[C@@]1(CO)CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000581500585 430216664 /nfs/dbraw/zinc/21/66/64/430216664.db2.gz 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DFADHM CCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)c([O-])c1 ZINC000276426673 281394992 /nfs/dbraw/zinc/39/49/92/281394992.db2.gz XZEFBBIZMGDDOI-UKRRQHHQSA-N -1 3 301.386 2.928 20 0 DFADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000296907728 288465558 /nfs/dbraw/zinc/46/55/58/288465558.db2.gz MGOQKCCXGKTQDB-BDAKNGLRSA-N -1 3 303.280 2.901 20 0 DFADHM O=C(Nc1ccncc1O)c1ccc(Br)c([O-])c1 ZINC000153833831 289062258 /nfs/dbraw/zinc/06/22/58/289062258.db2.gz LRQIMLSAUDSEGV-UHFFFAOYSA-N -1 3 309.119 2.508 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@H]1c1cccnc1 ZINC000363373520 289084306 /nfs/dbraw/zinc/08/43/06/289084306.db2.gz AJHOYKPKXHVQCR-QGZVFWFLSA-N -1 3 319.364 2.900 20 0 DFADHM Cn1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000363375305 289084586 /nfs/dbraw/zinc/08/45/86/289084586.db2.gz SNKAJRNACOUHMW-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000363375305 289084589 /nfs/dbraw/zinc/08/45/89/289084589.db2.gz SNKAJRNACOUHMW-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000117785718 289087029 /nfs/dbraw/zinc/08/70/29/289087029.db2.gz FZXNJDFKUXXNBE-NOZJJQNGSA-N -1 3 310.313 2.568 20 0 DFADHM C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000117785718 289087033 /nfs/dbraw/zinc/08/70/33/289087033.db2.gz FZXNJDFKUXXNBE-NOZJJQNGSA-N -1 3 310.313 2.568 20 0 DFADHM C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000117785718 289087036 /nfs/dbraw/zinc/08/70/36/289087036.db2.gz FZXNJDFKUXXNBE-NOZJJQNGSA-N -1 3 310.313 2.568 20 0 DFADHM COc1cccc(C(=O)NCC(C)(C)c2cccnc2)c1[O-] ZINC000412880846 289109940 /nfs/dbraw/zinc/10/99/40/289109940.db2.gz ILTMTYLSNPRAKM-UHFFFAOYSA-N -1 3 300.358 2.503 20 0 DFADHM Cc1csc([C@H]2CCCCN2C(=O)c2cc(C)nc(=O)[n-]2)n1 ZINC000354885232 293062623 /nfs/dbraw/zinc/06/26/23/293062623.db2.gz NVDYLMJWVRRTNC-GFCCVEGCSA-N -1 3 318.402 2.623 20 0 DFADHM COc1cccc2c(NCc3nnc(C(F)(F)F)[n-]3)ccnc12 ZINC000436437097 297003250 /nfs/dbraw/zinc/00/32/50/297003250.db2.gz KQZWWBOJQMLRQL-UHFFFAOYSA-N -1 3 323.278 2.992 20 0 DFADHM COc1cccc2c(NCc3n[n-]c(C(F)(F)F)n3)ccnc12 ZINC000436437097 297003252 /nfs/dbraw/zinc/00/32/52/297003252.db2.gz KQZWWBOJQMLRQL-UHFFFAOYSA-N -1 3 323.278 2.992 20 0 DFADHM COc1cccc2c(NCc3nc(C(F)(F)F)n[n-]3)ccnc12 ZINC000436437097 297003255 /nfs/dbraw/zinc/00/32/55/297003255.db2.gz KQZWWBOJQMLRQL-UHFFFAOYSA-N -1 3 323.278 2.992 20 0 DFADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(F)cn3)c([O-])c2O1 ZINC000436482437 297005798 /nfs/dbraw/zinc/00/57/98/297005798.db2.gz DESVYCIOSUKCEW-UHFFFAOYSA-N -1 3 302.305 2.892 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](c2ccccc2F)C1 ZINC000436484882 297005882 /nfs/dbraw/zinc/00/58/82/297005882.db2.gz GRHSGBHNINFNAO-NSHDSACASA-N -1 3 301.317 2.867 20 0 DFADHM O=C(NCc1c[nH]cn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436536558 297009940 /nfs/dbraw/zinc/00/99/40/297009940.db2.gz MWRKGNHZBWLELW-UHFFFAOYSA-N -1 3 307.353 2.636 20 0 DFADHM COc1ccc([C@H](C)NC(=O)c2ccc(O)cc2[O-])cc1OC ZINC000436518439 297008509 /nfs/dbraw/zinc/00/85/09/297008509.db2.gz XVXPKGIICDKESG-JTQLQIEISA-N -1 3 317.341 2.606 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)c1[O-] ZINC000436523013 297008669 /nfs/dbraw/zinc/00/86/69/297008669.db2.gz YKYDUNMXTLDQDV-GHMZBOCLSA-N -1 3 315.316 2.681 20 0 DFADHM Cc1cc(-n2cncn2)ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436536455 297010176 /nfs/dbraw/zinc/01/01/76/297010176.db2.gz VJQHEAKJLGDXKC-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM CCOC(=O)CN(CC(C)C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436538637 297010736 /nfs/dbraw/zinc/01/07/36/297010736.db2.gz KLGMXRWHOHTJSP-UHFFFAOYSA-N -1 3 307.390 2.670 20 0 DFADHM Cc1ccc(C(=O)NCc2cccc(-n3ccnc3)c2)c([O-])c1 ZINC000436548706 297011697 /nfs/dbraw/zinc/01/16/97/297011697.db2.gz RNKSYSUSGULKBQ-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM CCOc1ccc(CNC(=O)c2ccc(OC)cc2[O-])cc1F ZINC000436552121 297011790 /nfs/dbraw/zinc/01/17/90/297011790.db2.gz BNQLSJOSPGSFTN-UHFFFAOYSA-N -1 3 319.332 2.869 20 0 DFADHM Cc1ccc(C(=O)NCCOc2ccc(F)cc2F)c([O-])c1 ZINC000436553067 297012099 /nfs/dbraw/zinc/01/20/99/297012099.db2.gz FYWXHDJSNAHBGA-UHFFFAOYSA-N -1 3 307.296 2.788 20 0 DFADHM Cc1ccc(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)c([O-])c1C ZINC000436558003 297012315 /nfs/dbraw/zinc/01/23/15/297012315.db2.gz ZJMTWHSXGVXOIE-ZFWWWQNUSA-N -1 3 302.418 2.708 20 0 DFADHM COC(=O)c1cccc(CNC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436574488 297013719 /nfs/dbraw/zinc/01/37/19/297013719.db2.gz FZKNVHKGHIXNNW-UHFFFAOYSA-N -1 3 313.353 2.726 20 0 DFADHM COc1ccc(O[C@H](C)CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436573227 297013779 /nfs/dbraw/zinc/01/37/79/297013779.db2.gz HWIYIKQMGWGIDW-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM CCC(CC)(CC(=O)OC)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436573623 297013820 /nfs/dbraw/zinc/01/38/20/297013820.db2.gz IWIROLAGBKYMOX-UHFFFAOYSA-N -1 3 307.390 2.861 20 0 DFADHM Cc1cccc(C(=O)N2CCOC[C@@H]2Cc2ccccc2)c1[O-] ZINC000436579347 297014269 /nfs/dbraw/zinc/01/42/69/297014269.db2.gz ULBHUZLNGQXGAG-INIZCTEOSA-N -1 3 311.381 2.784 20 0 DFADHM COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000436580471 297014883 /nfs/dbraw/zinc/01/48/83/297014883.db2.gz XBBYTJFSPOAJPR-TZMCWYRMSA-N -1 3 305.374 2.634 20 0 DFADHM COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000436580469 297014899 /nfs/dbraw/zinc/01/48/99/297014899.db2.gz XBBYTJFSPOAJPR-JSGCOSHPSA-N -1 3 305.374 2.634 20 0 DFADHM C[C@H]1C[C@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)CCN1C ZINC000436583403 297014914 /nfs/dbraw/zinc/01/49/14/297014914.db2.gz KBBXNBNNECKTGW-WCBMZHEXSA-N -1 3 317.216 2.912 20 0 DFADHM COc1ccc(C(=O)NC[C@H](C)Oc2ccc(C)cc2)c([O-])c1 ZINC000436587095 297015341 /nfs/dbraw/zinc/01/53/41/297015341.db2.gz DRLDVKUGOKPSFM-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H]2COCC[C@@H]21 ZINC000436585552 297015378 /nfs/dbraw/zinc/01/53/78/297015378.db2.gz JXKOJNHYOOJZGU-WBVHZDCISA-N -1 3 315.413 2.912 20 0 DFADHM COc1ccc(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)c([O-])c1 ZINC000436586714 297015509 /nfs/dbraw/zinc/01/55/09/297015509.db2.gz CHTCTHFFARKPSO-LLVKDONJSA-N -1 3 319.332 2.737 20 0 DFADHM CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436587865 297015574 /nfs/dbraw/zinc/01/55/74/297015574.db2.gz GJCPIYOZAXIISS-YPMHNXCESA-N -1 3 319.401 2.745 20 0 DFADHM COc1cccc(O[C@H](C)CNC(=O)c2cc(C)ccc2[O-])c1 ZINC000436591592 297015762 /nfs/dbraw/zinc/01/57/62/297015762.db2.gz XBWIWJVCHKHSII-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM Cc1cnn(CC2CCN(C(=O)c3cccc(C)c3[O-])CC2)c1 ZINC000436591777 297016131 /nfs/dbraw/zinc/01/61/31/297016131.db2.gz RJSMOSPUSQDFDJ-UHFFFAOYSA-N -1 3 313.401 2.758 20 0 DFADHM Cc1ccc(C(=O)Nc2cc(-c3ccncc3)nn2C)c([O-])c1 ZINC000436592354 297016280 /nfs/dbraw/zinc/01/62/80/297016280.db2.gz ULKPKPVLTZEHFC-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM CCCOc1ccc(C(=O)CNC(=O)c2ccccc2[O-])cc1 ZINC000436599143 297016906 /nfs/dbraw/zinc/01/69/06/297016906.db2.gz CKUSGFZRZPAAIL-UHFFFAOYSA-N -1 3 313.353 2.794 20 0 DFADHM C[C@H]1N(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCOC1(C)C ZINC000436600038 297017372 /nfs/dbraw/zinc/01/73/72/297017372.db2.gz ZMBVXDJWJFRTGA-LLVKDONJSA-N -1 3 319.401 2.745 20 0 DFADHM COC(=O)C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000436608104 297017709 /nfs/dbraw/zinc/01/77/09/297017709.db2.gz OWISREVLOWUXQB-CQSZACIVSA-N -1 3 317.316 2.566 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2ccc3c(=O)cc[nH]c3c2)c1[O-] ZINC000436611206 297018174 /nfs/dbraw/zinc/01/81/74/297018174.db2.gz VGYGYKORDSCELN-UHFFFAOYSA-N -1 3 324.336 2.803 20 0 DFADHM CCCCN(CCCO)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436620555 297018610 /nfs/dbraw/zinc/01/86/10/297018610.db2.gz AYYRIVABHHQMKK-UHFFFAOYSA-N -1 3 321.417 2.730 20 0 DFADHM CCCCN(CCCO)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436621697 297018638 /nfs/dbraw/zinc/01/86/38/297018638.db2.gz CAHYDYVUJFGOKY-UHFFFAOYSA-N -1 3 305.418 2.896 20 0 DFADHM CCCCO[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2[O-])C1(C)C ZINC000436624109 297019306 /nfs/dbraw/zinc/01/93/06/297019306.db2.gz IQDSYJXNJCZJAR-HUUCEWRRSA-N -1 3 307.390 2.811 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)cc1[O-] ZINC000436635036 297019526 /nfs/dbraw/zinc/01/95/26/297019526.db2.gz MBTSMLFXGGOHJW-UHFFFAOYSA-N -1 3 322.324 2.632 20 0 DFADHM CCC[C@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)OC(C)(C)C ZINC000436639613 297020022 /nfs/dbraw/zinc/02/00/22/297020022.db2.gz DVFLKBVAUVFPFZ-ZDUSSCGKSA-N -1 3 323.389 2.641 20 0 DFADHM CO[C@](C)(CNC(=O)c1ccc2c(c1[O-])CCCC2)C1CC1 ZINC000436638360 297020057 /nfs/dbraw/zinc/02/00/57/297020057.db2.gz DBTKQMXSPLBPTJ-GOSISDBHSA-N -1 3 303.402 2.816 20 0 DFADHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436645745 297020414 /nfs/dbraw/zinc/02/04/14/297020414.db2.gz DNVORMVBNVJOHA-CYBMUJFWSA-N -1 3 315.369 2.912 20 0 DFADHM O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000436642739 297020604 /nfs/dbraw/zinc/02/06/04/297020604.db2.gz UIFHUWBZIHFIOI-ZDUSSCGKSA-N -1 3 314.360 2.788 20 0 DFADHM CC[C@H](CNC(=O)c1c([O-])cccc1O)Oc1cccc(C)c1 ZINC000436648874 297021317 /nfs/dbraw/zinc/02/13/17/297021317.db2.gz SFLDFDRPWCBSME-CYBMUJFWSA-N -1 3 315.369 2.994 20 0 DFADHM CCCN(CCN1CCCCC1)C(=O)c1c([O-])cccc1F ZINC000436656137 297021979 /nfs/dbraw/zinc/02/19/79/297021979.db2.gz OTTSYIOMFMWEHU-UHFFFAOYSA-N -1 3 308.397 2.869 20 0 DFADHM COc1cccc(C(=O)Nc2cc3c(cc2C)OCO3)c1[O-] ZINC000436655108 297022178 /nfs/dbraw/zinc/02/21/78/297022178.db2.gz CCKYSTVGNXQEPL-UHFFFAOYSA-N -1 3 301.298 2.690 20 0 DFADHM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000436659493 297022680 /nfs/dbraw/zinc/02/26/80/297022680.db2.gz RMJFYUDLISWBII-LLVKDONJSA-N -1 3 313.357 2.767 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])C1(CC)CC ZINC000436677428 297024152 /nfs/dbraw/zinc/02/41/52/297024152.db2.gz CRIQFAVUESDSQV-GJZGRUSLSA-N -1 3 307.390 2.811 20 0 DFADHM Cc1ccc2nc(CNC(=O)c3ccc(C)c(C)c3[O-])cn2c1 ZINC000436684651 297024487 /nfs/dbraw/zinc/02/44/87/297024487.db2.gz DGPDKQCDYVROGS-UHFFFAOYSA-N -1 3 309.369 2.895 20 0 DFADHM Cc1ccc(C(=O)NCC2([C@@H](C)CCO)CCC2)c([O-])c1C ZINC000436684746 297024662 /nfs/dbraw/zinc/02/46/62/297024662.db2.gz FXBVXUYCZULZIA-ZDUSSCGKSA-N -1 3 305.418 2.928 20 0 DFADHM COc1cccc(C(F)(F)CNC(=O)c2cccc(C)c2[O-])n1 ZINC000436683349 297024899 /nfs/dbraw/zinc/02/48/99/297024899.db2.gz UDRBWNCKWXFBMP-UHFFFAOYSA-N -1 3 322.311 2.626 20 0 DFADHM C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H]1O ZINC000436695566 297025731 /nfs/dbraw/zinc/02/57/31/297025731.db2.gz FUXMKZVGQNHTIG-YVEFUNNKSA-N -1 3 313.353 2.637 20 0 DFADHM CCCN(CCc1ccccn1)C(=O)c1ccc([O-])c(OC)c1 ZINC000436701518 297026466 /nfs/dbraw/zinc/02/64/66/297026466.db2.gz AUYBTODZUSTBNS-UHFFFAOYSA-N -1 3 314.385 2.891 20 0 DFADHM COc1ccc(C(=O)NCc2nccn2-c2ccccc2)c([O-])c1 ZINC000436708779 297026536 /nfs/dbraw/zinc/02/65/36/297026536.db2.gz LEYDPRNGIXEGMB-UHFFFAOYSA-N -1 3 323.352 2.517 20 0 DFADHM CCOC(=O)[C@@H](CC)N(C(=O)c1ccc([O-])c(CC)c1)C1CC1 ZINC000436709257 297026578 /nfs/dbraw/zinc/02/65/78/297026578.db2.gz VDFAKUXZPZVSCT-OAHLLOKOSA-N -1 3 319.401 2.901 20 0 DFADHM Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000436748284 297031544 /nfs/dbraw/zinc/03/15/44/297031544.db2.gz FGBAXPYYVPVICQ-ZDUSSCGKSA-N -1 3 314.360 2.848 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(OCCO)c(C)c2)c([O-])c1 ZINC000436750302 297031578 /nfs/dbraw/zinc/03/15/78/297031578.db2.gz MXLMHDRFOYKCJX-UHFFFAOYSA-N -1 3 301.342 2.632 20 0 DFADHM COc1cccc([C@H](C)NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000436755232 297031795 /nfs/dbraw/zinc/03/17/95/297031795.db2.gz MKXCUQPZAVOBHA-NSHDSACASA-N -1 3 301.342 2.900 20 0 DFADHM Cc1cccc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c1[O-] ZINC000436709657 297027247 /nfs/dbraw/zinc/02/72/47/297027247.db2.gz YYJFNZKBCSAEOE-MRXNPFEDSA-N -1 3 301.386 2.732 20 0 DFADHM CN(C)CCn1nccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436711627 297027502 /nfs/dbraw/zinc/02/75/02/297027502.db2.gz JOAPMSSCBSZUEB-UHFFFAOYSA-N -1 3 324.384 2.556 20 0 DFADHM COc1ccc(CCNC(=O)c2ccc(C)cc2[O-])cc1F ZINC000436719729 297027931 /nfs/dbraw/zinc/02/79/31/297027931.db2.gz BAMRGUFVXTURPB-UHFFFAOYSA-N -1 3 303.333 2.821 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)c([O-])c1 ZINC000436718960 297028035 /nfs/dbraw/zinc/02/80/35/297028035.db2.gz YGEANQYVEZZPRB-UHFFFAOYSA-N -1 3 308.337 2.805 20 0 DFADHM COc1ccc(CCNC(=O)c2cccc(C)c2[O-])cc1F ZINC000436720316 297028366 /nfs/dbraw/zinc/02/83/66/297028366.db2.gz DGMMVIJTEDPCQI-UHFFFAOYSA-N -1 3 303.333 2.821 20 0 DFADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H](C)CO ZINC000436721056 297028417 /nfs/dbraw/zinc/02/84/17/297028417.db2.gz LBTWAHCGYLIAKV-CHWSQXEVSA-N -1 3 315.369 2.931 20 0 DFADHM Cc1cccc(C(=O)NCc2ccnc(OC(F)F)c2)c1[O-] ZINC000436726092 297028886 /nfs/dbraw/zinc/02/88/86/297028886.db2.gz SRXQYTDFVYZJHU-UHFFFAOYSA-N -1 3 308.284 2.627 20 0 DFADHM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2cccc(C)c2[O-])[nH]1 ZINC000436733465 297029302 /nfs/dbraw/zinc/02/93/02/297029302.db2.gz XJXIZWVIBXKMJC-MWLCHTKSSA-N -1 3 302.378 2.823 20 0 DFADHM COc1ccc(C(=O)N[C@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000436738385 297029898 /nfs/dbraw/zinc/02/98/98/297029898.db2.gz LKRBNULCNICOGB-CQSZACIVSA-N -1 3 321.760 2.518 20 0 DFADHM Cc1ccc(C(=O)Nc2cn(Cc3ccccc3)nn2)c([O-])c1C ZINC000436734896 297030057 /nfs/dbraw/zinc/03/00/57/297030057.db2.gz FJNMTWJVQBDQIS-UHFFFAOYSA-N -1 3 322.368 2.901 20 0 DFADHM COc1cc([C@@H](C)NC(=O)c2ccc(C)c(C)c2[O-])ccn1 ZINC000436740620 297030490 /nfs/dbraw/zinc/03/04/90/297030490.db2.gz QUHZZLMKVYRIEG-GFCCVEGCSA-N -1 3 300.358 2.904 20 0 DFADHM CNC(=O)c1ccc(/C=C/c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436768956 297032885 /nfs/dbraw/zinc/03/28/85/297032885.db2.gz LXVYVYNWODJHME-NYYWCZLTSA-N -1 3 321.336 2.972 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccccn2)c1 ZINC000436785814 297033976 /nfs/dbraw/zinc/03/39/76/297033976.db2.gz GPHSCCLJZURSMF-LLVKDONJSA-N -1 3 313.357 2.579 20 0 DFADHM COCCOc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436784911 297034041 /nfs/dbraw/zinc/03/40/41/297034041.db2.gz SCUUDDAQLHGOJD-UHFFFAOYSA-N -1 3 301.342 2.978 20 0 DFADHM C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H](C)C1 ZINC000436792107 297034228 /nfs/dbraw/zinc/03/42/28/297034228.db2.gz MFKMPGHXXODUQB-ZOWXZIJZSA-N -1 3 322.836 2.848 20 0 DFADHM Cc1ccc(C(=O)NC[C@@](C)(CO)c2ccccc2)c([O-])c1C ZINC000436789290 297034240 /nfs/dbraw/zinc/03/42/40/297034240.db2.gz BGGDQGJNBGPVMU-IBGZPJMESA-N -1 3 313.397 2.689 20 0 DFADHM COc1cc(-c2noc(-c3ccc(N(C)C)nc3)n2)ccc1[O-] ZINC000436787613 297034246 /nfs/dbraw/zinc/03/42/46/297034246.db2.gz XNEWGGQGRVZHLS-UHFFFAOYSA-N -1 3 312.329 2.579 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](O)CC2)c([O-])c1 ZINC000436792267 297034264 /nfs/dbraw/zinc/03/42/64/297034264.db2.gz MVVSHSAWQOTNDG-CYBMUJFWSA-N -1 3 307.390 2.558 20 0 DFADHM Cc1ccc(C(=O)NCCCc2nc(C(C)C)no2)c([O-])c1C ZINC000436790229 297034539 /nfs/dbraw/zinc/03/45/39/297034539.db2.gz GDPPNLHPCMIJSZ-UHFFFAOYSA-N -1 3 317.389 2.878 20 0 DFADHM COc1cc(OC)cc(N(C)C(=O)c2cccc(OC)c2[O-])c1 ZINC000436792670 297034922 /nfs/dbraw/zinc/03/49/22/297034922.db2.gz OWECPTQKLGDDJU-UHFFFAOYSA-N -1 3 317.341 2.695 20 0 DFADHM CCOC(=O)CN(C(=O)c1cc(CC)ccc1[O-])C1CCC1 ZINC000436817344 297037218 /nfs/dbraw/zinc/03/72/18/297037218.db2.gz HCBLNFBZQKBUOA-UHFFFAOYSA-N -1 3 305.374 2.512 20 0 DFADHM COCC[C@H](Cc1ccco1)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436826939 297037706 /nfs/dbraw/zinc/03/77/06/297037706.db2.gz MEWBKHWZKDATPL-CQSZACIVSA-N -1 3 317.385 2.980 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)ccc1[O-] ZINC000436903001 297043419 /nfs/dbraw/zinc/04/34/19/297043419.db2.gz SGRARRVIHCJAML-ZDUSSCGKSA-N -1 3 322.368 2.772 20 0 DFADHM Cc1sc(CNC(=O)c2ccc(O)cc2[O-])nc1C(C)C ZINC000436837269 297038836 /nfs/dbraw/zinc/03/88/36/297038836.db2.gz HCLWOYXYRRKOPU-UHFFFAOYSA-N -1 3 306.387 2.916 20 0 DFADHM Cc1ccc(C(=O)N[C@H](CO)Cc2ccccc2C)c([O-])c1C ZINC000436840824 297039128 /nfs/dbraw/zinc/03/91/28/297039128.db2.gz RXZZCESFPZIZMI-INIZCTEOSA-N -1 3 313.397 2.651 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cnn1 ZINC000436842069 297039473 /nfs/dbraw/zinc/03/94/73/297039473.db2.gz VKNOUCWLYTVODN-UHFFFAOYSA-N -1 3 313.235 2.642 20 0 DFADHM CC[C@@H](CCO)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436844775 297039762 /nfs/dbraw/zinc/03/97/62/297039762.db2.gz APVPAARYKGSRHV-INIZCTEOSA-N -1 3 313.397 2.874 20 0 DFADHM COc1ccc([O-])c(C(=O)NCC2(C)CCC(OC)CC2)c1 ZINC000436851897 297040221 /nfs/dbraw/zinc/04/02/21/297040221.db2.gz NEFJBCDSUHMWEZ-UHFFFAOYSA-N -1 3 307.390 2.726 20 0 DFADHM COC(=O)C1(CNC(=O)c2ccc(C)cc2[O-])CCCCC1 ZINC000436858533 297040478 /nfs/dbraw/zinc/04/04/78/297040478.db2.gz GJOVBJLFJRQYRD-UHFFFAOYSA-N -1 3 305.374 2.554 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1[O-] ZINC000436865024 297040860 /nfs/dbraw/zinc/04/08/60/297040860.db2.gz QWFJZSXADHEDLS-OAHLLOKOSA-N -1 3 311.337 2.848 20 0 DFADHM [O-]c1ccc(-c2noc(-c3cnc(C(F)(F)F)nc3)n2)cc1 ZINC000436867209 297041034 /nfs/dbraw/zinc/04/10/34/297041034.db2.gz AVJDOHKSWIRRFW-UHFFFAOYSA-N -1 3 308.219 2.918 20 0 DFADHM C[C@@H](CO)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436874616 297041150 /nfs/dbraw/zinc/04/11/50/297041150.db2.gz ANJXJFYSCPYKPQ-CQSZACIVSA-N -1 3 313.397 2.536 20 0 DFADHM COCCC1(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCC1 ZINC000436902919 297043585 /nfs/dbraw/zinc/04/35/85/297043585.db2.gz LFGBEGKOQQQJLT-UHFFFAOYSA-N -1 3 319.401 2.795 20 0 DFADHM CCc1ccc(C(=O)NCCCO[C@@H]2CCCCO2)c([O-])c1 ZINC000436878317 297041707 /nfs/dbraw/zinc/04/17/07/297041707.db2.gz BJQKKFKRUIDFGT-MRXNPFEDSA-N -1 3 307.390 2.618 20 0 DFADHM COC(=O)c1ccccc1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436884897 297042308 /nfs/dbraw/zinc/04/23/08/297042308.db2.gz FYFRTIGRICIIQV-UHFFFAOYSA-N -1 3 310.309 2.820 20 0 DFADHM Cc1cccc(-c2nc(CC(=O)NCc3ccccc3)no2)c1[O-] ZINC000436890387 297042408 /nfs/dbraw/zinc/04/24/08/297042408.db2.gz ZWTYKZJBNUTQEW-UHFFFAOYSA-N -1 3 323.352 2.610 20 0 DFADHM CCc1ccc([O-])c(-c2nc(CC(=O)NC3CCCC3)no2)c1 ZINC000436891984 297042429 /nfs/dbraw/zinc/04/24/29/297042429.db2.gz JMKYMYRLKLRRQY-UHFFFAOYSA-N -1 3 315.373 2.606 20 0 DFADHM Cc1cccc(-c2nc(-c3ccnc(-n4cccn4)c3)no2)c1[O-] ZINC000436894022 297042738 /nfs/dbraw/zinc/04/27/38/297042738.db2.gz QCIFZSUXHWJWGJ-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM CCN1CCc2nc(NC(=O)c3ccc([O-])c(C)c3)sc2C1 ZINC000436900113 297043099 /nfs/dbraw/zinc/04/30/99/297043099.db2.gz GUJVJMOLNNTNGL-UHFFFAOYSA-N -1 3 317.414 2.787 20 0 DFADHM COc1cccc(C(=O)NC[C@H](C)Oc2ccc(C)cc2)c1[O-] ZINC000436922523 297044954 /nfs/dbraw/zinc/04/49/54/297044954.db2.gz YRISAGOHRRJLQW-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM COc1cccc(C(=O)NCc2cc(=O)[nH]c3ccccc23)c1[O-] ZINC000436921078 297045058 /nfs/dbraw/zinc/04/50/58/297045058.db2.gz RSRPFYNWOLQOEY-UHFFFAOYSA-N -1 3 324.336 2.585 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)ccc1[O-] ZINC000436928328 297045464 /nfs/dbraw/zinc/04/54/64/297045464.db2.gz VXVSYEXWNVRBCB-XJKSGUPXSA-N -1 3 324.380 2.624 20 0 DFADHM COC(=O)c1ccc(F)c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436925641 297045556 /nfs/dbraw/zinc/04/55/56/297045556.db2.gz CRQSTXNEFMCQPV-UHFFFAOYSA-N -1 3 303.289 2.879 20 0 DFADHM COc1cccc(C(=O)Nc2ccnn2Cc2ccccc2)c1[O-] ZINC000436932168 297045829 /nfs/dbraw/zinc/04/58/29/297045829.db2.gz AWAGJSQXJQPCMG-UHFFFAOYSA-N -1 3 323.352 2.898 20 0 DFADHM Cc1cc(C(=O)NC[C@H](C)N2CCc3ccccc32)ccc1[O-] ZINC000436931794 297045833 /nfs/dbraw/zinc/04/58/33/297045833.db2.gz KRVWVJOAQLEZMG-AWEZNQCLSA-N -1 3 310.397 2.882 20 0 DFADHM CC[C@@H]1CN(C(=O)c2ccc([O-])c(C)c2)CCN1CC(F)F ZINC000436934249 297046063 /nfs/dbraw/zinc/04/60/63/297046063.db2.gz WLKLSBWVRYOPOE-CYBMUJFWSA-N -1 3 312.360 2.502 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)ccc1[O-] ZINC000436939797 297046411 /nfs/dbraw/zinc/04/64/11/297046411.db2.gz RBRMGEAZMHEPAH-IPQOISQHSA-N -1 3 317.410 2.929 20 0 DFADHM Cc1cccc(-c2nc(-c3cccc(-n4cccn4)n3)no2)c1[O-] ZINC000436942444 297046915 /nfs/dbraw/zinc/04/69/15/297046915.db2.gz VTKZCSRXJKPIRK-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc3ccn(C)c(=O)c3c2)c([O-])c1 ZINC000436960807 297048033 /nfs/dbraw/zinc/04/80/33/297048033.db2.gz FLRXARCMBWXQKV-UHFFFAOYSA-N -1 3 308.337 2.805 20 0 DFADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC(O)C1 ZINC000436961404 297048233 /nfs/dbraw/zinc/04/82/33/297048233.db2.gz TXECAUOVTQFBMV-UHFFFAOYSA-N -1 3 313.353 2.780 20 0 DFADHM CCCCOc1ccc(C(=O)NCC2(O)CCCC2)c([O-])c1 ZINC000436979687 297049878 /nfs/dbraw/zinc/04/98/78/297049878.db2.gz BLPQXKVYDFNOOR-UHFFFAOYSA-N -1 3 307.390 2.606 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](Cc2nnc[nH]2)c2ccccc2)c1[O-] ZINC000436992059 297051135 /nfs/dbraw/zinc/05/11/35/297051135.db2.gz TWWZBFVJMRBICV-HNNXBMFYSA-N -1 3 322.368 2.533 20 0 DFADHM Cc1ccc(C(=O)N2CC(=O)N(C)[C@@H]2c2ccccc2)c([O-])c1C ZINC000436993860 297051393 /nfs/dbraw/zinc/05/13/93/297051393.db2.gz IBIOCCZMQGHABM-SFHVURJKSA-N -1 3 324.380 2.622 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@@H](C2CC2)O1 ZINC000436995361 297051657 /nfs/dbraw/zinc/05/16/57/297051657.db2.gz CLWALGKUCIMZDT-XIKOKIGWSA-N -1 3 315.413 2.911 20 0 DFADHM COc1ccc(C(=O)N(C)Cc2cc(F)cc(F)c2)c([O-])c1 ZINC000437002481 297052105 /nfs/dbraw/zinc/05/21/05/297052105.db2.gz NAUGDBMCLOPRSV-UHFFFAOYSA-N -1 3 307.296 2.951 20 0 DFADHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000494357210 299866771 /nfs/dbraw/zinc/86/67/71/299866771.db2.gz OLZOBWWRWQXLKV-QMMMGPOBSA-N -1 3 312.218 2.697 20 0 DFADHM COc1ccc(C(=O)N2CC(C)(C)O[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000369864506 295080640 /nfs/dbraw/zinc/08/06/40/295080640.db2.gz OUBCPHZGCYRQTE-UKRRQHHQSA-N -1 3 305.374 2.573 20 0 DFADHM C[C@@H](CO[N-]C(=O)C12CCC(CC1)C2)NC(=O)OC(C)(C)C ZINC000495302786 299917895 /nfs/dbraw/zinc/91/78/95/299917895.db2.gz VQDUMYBAFAWQDN-FZWSLVFFSA-N -1 3 312.410 2.528 20 0 DFADHM COc1cccc(C(=O)N2CCC3(CCC(O)CC3)CC2)c1[O-] ZINC000295840660 295283882 /nfs/dbraw/zinc/28/38/82/295283882.db2.gz RMSZFDQFVATPQK-UHFFFAOYSA-N -1 3 319.401 2.558 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3C[C@@H]4CCC[C@H]4C3)c([O-])c2O1 ZINC000155182727 295314087 /nfs/dbraw/zinc/31/40/87/295314087.db2.gz IVRHSZNZPSSEIS-STQMWFEESA-N -1 3 301.386 2.978 20 0 DFADHM O=C(c1cc(-n2cccn2)ccn1)N1CCCc2cccc([O-])c21 ZINC000155563151 295320689 /nfs/dbraw/zinc/32/06/89/295320689.db2.gz NBGQYBOIYSENTP-UHFFFAOYSA-N -1 3 320.352 2.566 20 0 DFADHM COc1cc(C(=O)[N-]c2ccc(NC(C)=O)cc2Cl)on1 ZINC000155794237 295326022 /nfs/dbraw/zinc/32/60/22/295326022.db2.gz FGWYTDZZWLXMPV-UHFFFAOYSA-N -1 3 309.709 2.547 20 0 DFADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1ccc(F)cc1F ZINC000157176783 295345541 /nfs/dbraw/zinc/34/55/41/295345541.db2.gz VUDDGEIUARTBPT-UHFFFAOYSA-N -1 3 308.675 2.913 20 0 DFADHM CC(C)c1ncc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000157301289 295347006 /nfs/dbraw/zinc/34/70/06/295347006.db2.gz PHQLKGSTOSTUGK-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM CC(C)c1ncc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000157301289 295347007 /nfs/dbraw/zinc/34/70/07/295347007.db2.gz PHQLKGSTOSTUGK-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM CN(C)c1cccc(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000158235343 295360308 /nfs/dbraw/zinc/36/03/08/295360308.db2.gz XLJFLKHMDOOMEV-UHFFFAOYSA-N -1 3 317.364 2.597 20 0 DFADHM COc1cc(C(=O)N(C)Cc2ccccc2F)cc(OC)c1[O-] ZINC000162019529 295409100 /nfs/dbraw/zinc/40/91/00/295409100.db2.gz ATBCEFWLKNXJNC-UHFFFAOYSA-N -1 3 319.332 2.821 20 0 DFADHM CCc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1F ZINC000162141532 295410941 /nfs/dbraw/zinc/41/09/41/295410941.db2.gz NDODVSRDUGZVFI-UHFFFAOYSA-N -1 3 317.364 2.660 20 0 DFADHM CCCOc1cccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000390931047 295479223 /nfs/dbraw/zinc/47/92/23/295479223.db2.gz GTHNNHIZGQFSBA-UHFFFAOYSA-N -1 3 310.353 2.971 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)COCC1CCCC1 ZINC000410624504 295511498 /nfs/dbraw/zinc/51/14/98/295511498.db2.gz LSMITDMGFFLODZ-UHFFFAOYSA-N -1 3 324.377 2.559 20 0 DFADHM CCCc1nc(C(=O)[N-]c2cccc(C(=O)OC)c2F)co1 ZINC000411070010 295522730 /nfs/dbraw/zinc/52/27/30/295522730.db2.gz QMKXUWQSSFYPNG-UHFFFAOYSA-N -1 3 306.293 2.805 20 0 DFADHM C[C@H](CCC(C)(C)C)NC(=O)c1c[n-]c2ccncc2c1=O ZINC000412132980 295592319 /nfs/dbraw/zinc/59/23/19/295592319.db2.gz ROCKGLZMJNCPIT-LLVKDONJSA-N -1 3 301.390 2.868 20 0 DFADHM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000083703863 297089469 /nfs/dbraw/zinc/08/94/69/297089469.db2.gz FNVMPWIENISDBE-DGCLKSJQSA-N -1 3 308.809 2.744 20 0 DFADHM CC(C)Oc1ccccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000439014973 297112078 /nfs/dbraw/zinc/11/20/78/297112078.db2.gz LZLRKDHNKOTZNI-UHFFFAOYSA-N -1 3 323.356 2.906 20 0 DFADHM CC(C)Oc1ccccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000439014973 297112079 /nfs/dbraw/zinc/11/20/79/297112079.db2.gz LZLRKDHNKOTZNI-UHFFFAOYSA-N -1 3 323.356 2.906 20 0 DFADHM CC(C)Oc1ccccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000439014973 297112080 /nfs/dbraw/zinc/11/20/80/297112080.db2.gz LZLRKDHNKOTZNI-UHFFFAOYSA-N -1 3 323.356 2.906 20 0 DFADHM COc1cc(C(=O)N[C@H]2CCOc3ccc(F)cc32)ccc1[O-] ZINC000442647263 297199074 /nfs/dbraw/zinc/19/90/74/297199074.db2.gz HSTZEPKHEKQTOY-ZDUSSCGKSA-N -1 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COc1ccc([C@@H](C)CCNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000180066227 316025372 /nfs/dbraw/zinc/02/53/72/316025372.db2.gz VWJDCVHVUCDVSZ-LBPRGKRZSA-N -1 3 324.384 2.890 20 0 DFADHM COc1ccc([C@@H](C)CCNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000180066227 316025376 /nfs/dbraw/zinc/02/53/76/316025376.db2.gz VWJDCVHVUCDVSZ-LBPRGKRZSA-N -1 3 324.384 2.890 20 0 DFADHM COc1ccc([C@@H](C)CCNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000180066227 316025380 /nfs/dbraw/zinc/02/53/80/316025380.db2.gz VWJDCVHVUCDVSZ-LBPRGKRZSA-N -1 3 324.384 2.890 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Cc2ccccc2F)n[n-]1 ZINC000180938803 316045940 /nfs/dbraw/zinc/04/59/40/316045940.db2.gz QWMPKSBNCHHBHY-JTQLQIEISA-N -1 3 319.336 2.543 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Cc2ccccc2F)[n-]n1 ZINC000180938803 316045942 /nfs/dbraw/zinc/04/59/42/316045942.db2.gz QWMPKSBNCHHBHY-JTQLQIEISA-N -1 3 319.336 2.543 20 0 DFADHM CCOC(=O)c1cc(NC(=O)CCCc2ccccc2)n[n-]1 ZINC000180932754 316046485 /nfs/dbraw/zinc/04/64/85/316046485.db2.gz 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/nfs/dbraw/zinc/05/66/39/316056639.db2.gz HQRHAFQMMIYPPK-UHFFFAOYSA-N -1 3 317.295 2.937 20 0 DFADHM Cc1ccc2nc(-c3ccc(OCC(F)F)nc3)[n-]c(=O)c2c1 ZINC000181361336 316056982 /nfs/dbraw/zinc/05/69/82/316056982.db2.gz WTWFXDLBIIENHD-UHFFFAOYSA-N -1 3 317.295 2.937 20 0 DFADHM CCOC(=O)c1cc(NC(=O)C[C@H](C)c2ccccc2F)n[n-]1 ZINC000181756278 316070797 /nfs/dbraw/zinc/07/07/97/316070797.db2.gz TZAUPCMRTKKHKL-JTQLQIEISA-N -1 3 319.336 2.858 20 0 DFADHM CCOC(=O)c1cc(NC(=O)C[C@H](C)c2ccccc2F)[n-]n1 ZINC000181756278 316070802 /nfs/dbraw/zinc/07/08/02/316070802.db2.gz TZAUPCMRTKKHKL-JTQLQIEISA-N -1 3 319.336 2.858 20 0 DFADHM CCOC(=O)c1cc(NC(=O)C[C@@H](C)c2cccc(F)c2)n[n-]1 ZINC000181748206 316070821 /nfs/dbraw/zinc/07/08/21/316070821.db2.gz ZGEBBOWAQVJOID-SNVBAGLBSA-N -1 3 319.336 2.858 20 0 DFADHM CCOC(=O)c1cc(NC(=O)C[C@@H](C)c2cccc(F)c2)[n-]n1 ZINC000181748206 316070826 /nfs/dbraw/zinc/07/08/26/316070826.db2.gz ZGEBBOWAQVJOID-SNVBAGLBSA-N -1 3 319.336 2.858 20 0 DFADHM 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2.782 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCCC[C@@H]1c1nccs1 ZINC000182787313 316118772 /nfs/dbraw/zinc/11/87/72/316118772.db2.gz SGJAZBWLMRBXMU-GFCCVEGCSA-N -1 3 313.386 2.782 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCCOC(C)C ZINC000183219636 316134635 /nfs/dbraw/zinc/13/46/35/316134635.db2.gz JTTTVLBXCXNZJG-UHFFFAOYSA-N -1 3 312.366 2.557 20 0 DFADHM CCOC(=O)c1cc(NC(=O)C2(c3ccccc3C)CC2)n[n-]1 ZINC000183279023 316136227 /nfs/dbraw/zinc/13/62/27/316136227.db2.gz DWNZSRYOTZHCMS-UHFFFAOYSA-N -1 3 313.357 2.565 20 0 DFADHM CCOC(=O)c1cc(NC(=O)C2(c3ccccc3C)CC2)[n-]n1 ZINC000183279023 316136229 /nfs/dbraw/zinc/13/62/29/316136229.db2.gz DWNZSRYOTZHCMS-UHFFFAOYSA-N -1 3 313.357 2.565 20 0 DFADHM CC(C)(CNC(=O)c1cccc2nn[n-]c21)c1ccc(F)cc1 ZINC000183564606 316146120 /nfs/dbraw/zinc/14/61/20/316146120.db2.gz RETSDNMZTSYYFS-UHFFFAOYSA-N -1 3 312.348 2.805 20 0 DFADHM CC(C)(CNC(=O)c1cccc2[n-]nnc21)c1ccc(F)cc1 ZINC000183564606 316146125 /nfs/dbraw/zinc/14/61/25/316146125.db2.gz RETSDNMZTSYYFS-UHFFFAOYSA-N -1 3 312.348 2.805 20 0 DFADHM CC(C)(CNC(=O)c1cccc2n[n-]nc21)c1ccc(F)cc1 ZINC000183564606 316146129 /nfs/dbraw/zinc/14/61/29/316146129.db2.gz RETSDNMZTSYYFS-UHFFFAOYSA-N -1 3 312.348 2.805 20 0 DFADHM COc1cc(C(=O)[N-]c2cc(Cl)ccc2NC(C)=O)on1 ZINC000183779407 316152925 /nfs/dbraw/zinc/15/29/25/316152925.db2.gz GIZOVFNEDRGZMH-UHFFFAOYSA-N -1 3 309.709 2.547 20 0 DFADHM CC(C)Cc1nc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)cs1 ZINC000184641323 316171386 /nfs/dbraw/zinc/17/13/86/316171386.db2.gz UVMJOZUCWQHLTH-UHFFFAOYSA-N -1 3 305.407 2.980 20 0 DFADHM CCCOc1ccc(CNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000187214438 316207777 /nfs/dbraw/zinc/20/77/77/316207777.db2.gz USEKXMCWACVRJP-UHFFFAOYSA-N -1 3 310.357 2.677 20 0 DFADHM CCCOc1ccc(CNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000187214438 316207780 /nfs/dbraw/zinc/20/77/80/316207780.db2.gz USEKXMCWACVRJP-UHFFFAOYSA-N -1 3 310.357 2.677 20 0 DFADHM CCCOc1ccc(CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187214438 316207782 /nfs/dbraw/zinc/20/77/82/316207782.db2.gz USEKXMCWACVRJP-UHFFFAOYSA-N -1 3 310.357 2.677 20 0 DFADHM O=C(Nc1ccc(N2CCCCC2)cn1)c1cccc2nn[n-]c21 ZINC000187423839 316209796 /nfs/dbraw/zinc/20/97/96/316209796.db2.gz RQANABMURSHNTG-UHFFFAOYSA-N -1 3 322.372 2.596 20 0 DFADHM O=C(Nc1ccc(N2CCCCC2)cn1)c1cccc2[n-]nnc21 ZINC000187423839 316209803 /nfs/dbraw/zinc/20/98/03/316209803.db2.gz RQANABMURSHNTG-UHFFFAOYSA-N -1 3 322.372 2.596 20 0 DFADHM O=C(Nc1ccc(N2CCCCC2)cn1)c1cccc2n[n-]nc21 ZINC000187423839 316209806 /nfs/dbraw/zinc/20/98/06/316209806.db2.gz RQANABMURSHNTG-UHFFFAOYSA-N -1 3 322.372 2.596 20 0 DFADHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000187467409 316210306 /nfs/dbraw/zinc/21/03/06/316210306.db2.gz LDNLZAPVRNMEKM-ZDUSSCGKSA-N -1 3 324.384 2.772 20 0 DFADHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000187467409 316210310 /nfs/dbraw/zinc/21/03/10/316210310.db2.gz LDNLZAPVRNMEKM-ZDUSSCGKSA-N -1 3 324.384 2.772 20 0 DFADHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000187467409 316210313 /nfs/dbraw/zinc/21/03/13/316210313.db2.gz LDNLZAPVRNMEKM-ZDUSSCGKSA-N -1 3 324.384 2.772 20 0 DFADHM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc2nn[n-]c21 ZINC000187677862 316213374 /nfs/dbraw/zinc/21/33/74/316213374.db2.gz DELCCRMMQWIGTJ-JKSUJKDBSA-N -1 3 322.368 2.608 20 0 DFADHM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc2[n-]nnc21 ZINC000187677862 316213379 /nfs/dbraw/zinc/21/33/79/316213379.db2.gz DELCCRMMQWIGTJ-JKSUJKDBSA-N -1 3 322.368 2.608 20 0 DFADHM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc2n[n-]nc21 ZINC000187677862 316213381 /nfs/dbraw/zinc/21/33/81/316213381.db2.gz DELCCRMMQWIGTJ-JKSUJKDBSA-N -1 3 322.368 2.608 20 0 DFADHM CCO[C@H](CCNC(=O)c1cccc2nn[n-]c21)C1CCCC1 ZINC000188269636 316219556 /nfs/dbraw/zinc/21/95/56/316219556.db2.gz MIDGSDPBELBJSI-OAHLLOKOSA-N -1 3 316.405 2.673 20 0 DFADHM CCO[C@H](CCNC(=O)c1cccc2[n-]nnc21)C1CCCC1 ZINC000188269636 316219560 /nfs/dbraw/zinc/21/95/60/316219560.db2.gz MIDGSDPBELBJSI-OAHLLOKOSA-N -1 3 316.405 2.673 20 0 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CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000456803203 317254640 /nfs/dbraw/zinc/25/46/40/317254640.db2.gz SLRYXKKJVHPPFD-QWHCGFSZSA-N -1 3 324.446 2.709 20 0 DFADHM CCOc1nc2cc(C(=O)NCc3cnc(C)cc3C)ccc2[n-]1 ZINC000456848883 317258117 /nfs/dbraw/zinc/25/81/17/317258117.db2.gz VDSHQDQQAMOSHP-UHFFFAOYSA-N -1 3 324.384 2.903 20 0 DFADHM CCOc1nc2ccc(C(=O)NCc3cnc(C)cc3C)cc2[n-]1 ZINC000456848883 317258120 /nfs/dbraw/zinc/25/81/20/317258120.db2.gz VDSHQDQQAMOSHP-UHFFFAOYSA-N -1 3 324.384 2.903 20 0 DFADHM CC(C)CCCCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000457644334 317265161 /nfs/dbraw/zinc/26/51/61/317265161.db2.gz HSTFEYSILKFMJC-UHFFFAOYSA-N -1 3 301.394 2.945 20 0 DFADHM CC(C)CCCCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000457644334 317265165 /nfs/dbraw/zinc/26/51/65/317265165.db2.gz HSTFEYSILKFMJC-UHFFFAOYSA-N -1 3 301.394 2.945 20 0 DFADHM Cc1ccccc1N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459294811 317313725 /nfs/dbraw/zinc/31/37/25/317313725.db2.gz LKSFOYLWQJHCPU-UHFFFAOYSA-N -1 3 324.428 2.690 20 0 DFADHM CS[C@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000459503020 317325922 /nfs/dbraw/zinc/32/59/22/317325922.db2.gz GJAXCRKPRURUEY-AWEZNQCLSA-N -1 3 301.415 2.787 20 0 DFADHM CCc1cc(C(=O)N2CC(=O)N(C)[C@@H]2c2ccccc2)ccc1[O-] ZINC000487434122 317345285 /nfs/dbraw/zinc/34/52/85/317345285.db2.gz RLVDEHIYDVTPIM-SFHVURJKSA-N -1 3 324.380 2.568 20 0 DFADHM CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2cn[n-]c2)cc1 ZINC000491835728 317594831 /nfs/dbraw/zinc/59/48/31/317594831.db2.gz XJSJWMIHJLPKIM-UHFFFAOYSA-N -1 3 303.318 2.976 20 0 DFADHM COc1ccc(Cl)cc1/C=C/C(=O)[N-]OCCSC ZINC000491983213 317625578 /nfs/dbraw/zinc/62/55/78/317625578.db2.gz KSFJDIBZLLQEAU-ZZXKWVIFSA-N -1 3 301.795 2.773 20 0 DFADHM COCCc1nc2cc(NC(=O)[N-]c3cnns3)ccc2o1 ZINC000494689679 317663634 /nfs/dbraw/zinc/66/36/34/317663634.db2.gz IBPRLWFAINSGID-UHFFFAOYSA-N -1 3 319.346 2.512 20 0 DFADHM CCO[N-]C(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC000496096402 317670172 /nfs/dbraw/zinc/67/01/72/317670172.db2.gz 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CCOC(=O)C(C)(C)O[N-]C(=O)/C=C(\C)c1cccc(F)c1 ZINC000295735170 528559781 /nfs/dbraw/zinc/55/97/81/528559781.db2.gz RZEAFUNWQPHPCM-PKNBQFBNSA-N -1 3 309.337 2.619 20 0 DFADHM CCCc1cc(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)no1 ZINC000294480828 528598169 /nfs/dbraw/zinc/59/81/69/528598169.db2.gz DIMLOFVLTQWCQW-UHFFFAOYSA-N -1 3 311.345 2.973 20 0 DFADHM CCCc1nc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)co1 ZINC000337789068 528696435 /nfs/dbraw/zinc/69/64/35/528696435.db2.gz ZSSNXJYGEDLDBC-UHFFFAOYSA-N -1 3 305.725 2.576 20 0 DFADHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299458069 529309138 /nfs/dbraw/zinc/30/91/38/529309138.db2.gz WYPZHSNUTCSXIS-RYUDHWBXSA-N -1 3 300.358 2.580 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000296753038 529329579 /nfs/dbraw/zinc/32/95/79/529329579.db2.gz IIPUUOUNAYYAJO-LLVKDONJSA-N -1 3 303.366 2.581 20 0 DFADHM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1cnn[n-]1 ZINC000354959930 534923670 /nfs/dbraw/zinc/92/36/70/534923670.db2.gz OYCOOLGWBVOKIP-UHFFFAOYSA-N -1 3 310.361 2.577 20 0 DFADHM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1c[n-]nn1 ZINC000354959930 534923678 /nfs/dbraw/zinc/92/36/78/534923678.db2.gz OYCOOLGWBVOKIP-UHFFFAOYSA-N -1 3 310.361 2.577 20 0 DFADHM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1cn[n-]n1 ZINC000354959930 534923684 /nfs/dbraw/zinc/92/36/84/534923684.db2.gz OYCOOLGWBVOKIP-UHFFFAOYSA-N -1 3 310.361 2.577 20 0 DFADHM CC[C@H](C)c1cc(C(=O)[N-]c2ncc(C(=O)OC)s2)on1 ZINC000356622769 536021656 /nfs/dbraw/zinc/02/16/56/536021656.db2.gz CTAKYNJQQYPVFS-ZETCQYMHSA-N -1 3 309.347 2.684 20 0 DFADHM CCc1cc(C(=O)NCCCC(=O)OC(C)(C)C)ccc1[O-] ZINC000362856892 536119419 /nfs/dbraw/zinc/11/94/19/536119419.db2.gz TYRFSCFKDPVDQV-UHFFFAOYSA-N -1 3 307.390 2.806 20 0 DFADHM CCc1cc(C(=O)NCCCc2nc(C(C)C)no2)ccc1[O-] ZINC000362661207 536120625 /nfs/dbraw/zinc/12/06/25/536120625.db2.gz CUHKADPDOAKONG-UHFFFAOYSA-N -1 3 317.389 2.824 20 0 DFADHM CCc1cc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)ccc1[O-] ZINC000362838259 536129290 /nfs/dbraw/zinc/12/92/90/536129290.db2.gz DPCVNFOJQIGFBN-LLVKDONJSA-N -1 3 315.417 2.666 20 0 DFADHM COc1cc(C(=O)NCc2ccccc2OC(F)F)ccc1[O-] ZINC000357598258 536495863 /nfs/dbraw/zinc/49/58/63/536495863.db2.gz KQGZHLVJJKWZBD-UHFFFAOYSA-N -1 3 323.295 2.932 20 0 DFADHM COC(=O)c1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000188395469 536783115 /nfs/dbraw/zinc/78/31/15/536783115.db2.gz VTMHNLIZSCNTDP-UHFFFAOYSA-N -1 3 322.324 2.511 20 0 DFADHM CCc1cccc(-c2nc(-c3cccc(C(N)=O)c3)no2)c1[O-] ZINC000680697525 545529731 /nfs/dbraw/zinc/52/97/31/545529731.db2.gz BOFDPXDWCGLDGN-UHFFFAOYSA-N -1 3 309.325 2.771 20 0 DFADHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc([O-])c(F)c1 ZINC000681016317 545581594 /nfs/dbraw/zinc/58/15/94/545581594.db2.gz MYQKXMSVJPYGHF-AWEZNQCLSA-N -1 3 318.348 2.691 20 0 DFADHM CN(C)[C@@H](CNC(=O)c1ccc([O-])c(F)c1)c1cccs1 ZINC000681016345 545582653 /nfs/dbraw/zinc/58/26/53/545582653.db2.gz NWJPWKWVLDOAMR-LBPRGKRZSA-N -1 3 308.378 2.626 20 0 DFADHM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc([O-])c(F)c1 ZINC000681055085 545589605 /nfs/dbraw/zinc/58/96/05/545589605.db2.gz RJZKTOGTWZHVDC-ZIAGYGMSSA-N -1 3 306.381 2.620 20 0 DFADHM O=C(c1ccc([O-])cc1)N1CCN([C@H]2CCc3ccccc32)CC1 ZINC000681672114 545696697 /nfs/dbraw/zinc/69/66/97/545696697.db2.gz MHIXQVDONCRJCN-IBGZPJMESA-N -1 3 322.408 2.838 20 0 DFADHM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccco2)cc1 ZINC000682082158 545793797 /nfs/dbraw/zinc/79/37/97/545793797.db2.gz QWBTWPZVSITIDT-ZBFHGGJFSA-N -1 3 321.398 2.787 20 0 DFADHM CCOc1ccccc1[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000682151513 545804267 /nfs/dbraw/zinc/80/42/67/545804267.db2.gz IGXRWJJNXIPTQF-LLVKDONJSA-N -1 3 310.357 2.848 20 0 DFADHM CCOc1ccccc1[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000682151513 545804271 /nfs/dbraw/zinc/80/42/71/545804271.db2.gz IGXRWJJNXIPTQF-LLVKDONJSA-N -1 3 310.357 2.848 20 0 DFADHM CCOc1ccccc1[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000682151513 545804273 /nfs/dbraw/zinc/80/42/73/545804273.db2.gz IGXRWJJNXIPTQF-LLVKDONJSA-N -1 3 310.357 2.848 20 0 DFADHM CCc1ccc(C(=O)NC[C@H]2OCCc3ccccc32)c([O-])c1 ZINC000682502297 545862027 /nfs/dbraw/zinc/86/20/27/545862027.db2.gz HBTNVVLXIBDGGY-GOSISDBHSA-N -1 3 311.381 2.998 20 0 DFADHM CO[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000682535881 545869895 /nfs/dbraw/zinc/86/98/95/545869895.db2.gz CRHMBOYAWKOHCF-AWEZNQCLSA-N -1 3 309.381 2.882 20 0 DFADHM Cc1ccc(C(=O)NC[C@@H](c2ccnn2C)C(C)C)c([O-])c1 ZINC000682674967 545894737 /nfs/dbraw/zinc/89/47/37/545894737.db2.gz ZBNUXGFECQRWAJ-CQSZACIVSA-N -1 3 301.390 2.604 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@@H](c2ccnn2C)C(C)C)c1 ZINC000682686453 545897283 /nfs/dbraw/zinc/89/72/83/545897283.db2.gz YFKOBKOCQAMFAG-OAHLLOKOSA-N -1 3 315.417 2.858 20 0 DFADHM Cc1ccc(C(=O)NC[C@H](c2ccnn2C)C(C)C)c([O-])c1C ZINC000682685060 545897509 /nfs/dbraw/zinc/89/75/09/545897509.db2.gz NFRKOIBIVKDBSJ-HNNXBMFYSA-N -1 3 315.417 2.912 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@@H]2CCOC2)sc1Cl ZINC000682730028 545906536 /nfs/dbraw/zinc/90/65/36/545906536.db2.gz KGCKGIDMYVXMPH-ZJUUUORDSA-N -1 3 323.867 2.803 20 0 DFADHM CC[C@]1([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)CCOC1 ZINC000682937084 545944450 /nfs/dbraw/zinc/94/44/50/545944450.db2.gz AYUTVOOPCZKOPQ-ZDUSSCGKSA-N -1 3 321.801 2.635 20 0 DFADHM Cn1c(CNCC2(C(=O)[O-])CCCC2)nc2ccc(Cl)cc21 ZINC000683176902 545984747 /nfs/dbraw/zinc/98/47/47/545984747.db2.gz WGWMKHVRQUKOQQ-UHFFFAOYSA-N -1 3 321.808 2.961 20 0 DFADHM CC(C)CCc1ccc(NC(=O)C(=O)[N-]c2cnns2)cc1 ZINC000683239535 545994124 /nfs/dbraw/zinc/99/41/24/545994124.db2.gz HIMJRKHVQCILCC-UHFFFAOYSA-N -1 3 318.402 2.704 20 0 DFADHM CC1(C)CCCN(CCNC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000683518908 546049936 /nfs/dbraw/zinc/04/99/36/546049936.db2.gz WYBGSFXAPFQUFE-UHFFFAOYSA-N -1 3 312.360 2.522 20 0 DFADHM CCc1cccc(C(=O)N[C@@H]2CCc3ccccc3C2=O)c1[O-] ZINC000683655146 546073104 /nfs/dbraw/zinc/07/31/04/546073104.db2.gz VVCYUVVHAWIXDD-MRXNPFEDSA-N -1 3 309.365 2.882 20 0 DFADHM CC(C)(O)CCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000683875626 546111108 /nfs/dbraw/zinc/11/11/08/546111108.db2.gz YRTYORYQIGAPAK-UHFFFAOYSA-N -1 3 307.268 2.780 20 0 DFADHM CCC[C@@H](C)c1cc(NC(=O)c2cc(F)cc3[n-]nnc32)n[nH]1 ZINC000683920407 546119535 /nfs/dbraw/zinc/11/95/35/546119535.db2.gz YFWAFRDAUIBOEJ-MRVPVSSYSA-N -1 3 316.340 2.976 20 0 DFADHM CCC[C@@H](C)c1cc(NC(=O)c2cc(F)cc3nn[n-]c32)n[nH]1 ZINC000683920407 546119541 /nfs/dbraw/zinc/11/95/41/546119541.db2.gz YFWAFRDAUIBOEJ-MRVPVSSYSA-N -1 3 316.340 2.976 20 0 DFADHM CCC[C@@H](C)c1cc(NC(=O)c2cc(F)cc3n[n-]nc32)n[nH]1 ZINC000683920407 546119545 /nfs/dbraw/zinc/11/95/45/546119545.db2.gz YFWAFRDAUIBOEJ-MRVPVSSYSA-N -1 3 316.340 2.976 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(O[C@H]2CCOC2)cc1 ZINC000684055815 546143838 /nfs/dbraw/zinc/14/38/38/546143838.db2.gz IOSJODFXBPDIQU-AWEZNQCLSA-N -1 3 317.316 2.951 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCc3c(F)cc(F)cc3C2)n1 ZINC000684092483 546150108 /nfs/dbraw/zinc/15/01/08/546150108.db2.gz LSXRMWDFDISAEQ-SNVBAGLBSA-N -1 3 305.328 2.888 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1ccc([O-])cc1F ZINC000684188918 546166770 /nfs/dbraw/zinc/16/67/70/546166770.db2.gz YODWSWSSIJWSES-UHFFFAOYSA-N -1 3 316.267 2.708 20 0 DFADHM CCOc1ccc2c(c1)[C@@H](NC(=O)c1csc(=O)[n-]1)CCO2 ZINC000684299106 546190204 /nfs/dbraw/zinc/19/02/04/546190204.db2.gz AXMMVKJPDJOJIL-NSHDSACASA-N -1 3 320.370 2.501 20 0 DFADHM O=C(CCC(F)F)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000684581094 546247002 /nfs/dbraw/zinc/24/70/02/546247002.db2.gz NWGDBZVWGDXQOJ-UHFFFAOYSA-N -1 3 302.231 2.734 20 0 DFADHM O=C(CCC(F)F)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000684581094 546247005 /nfs/dbraw/zinc/24/70/05/546247005.db2.gz NWGDBZVWGDXQOJ-UHFFFAOYSA-N -1 3 302.231 2.734 20 0 DFADHM O=C(CCC(F)F)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000684581094 546247008 /nfs/dbraw/zinc/24/70/08/546247008.db2.gz NWGDBZVWGDXQOJ-UHFFFAOYSA-N -1 3 302.231 2.734 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3Cc4ccc(F)cc43)[n-]2)o1 ZINC000684590481 546249061 /nfs/dbraw/zinc/24/90/61/546249061.db2.gz DTFJKUWKKZUNPJ-LBPRGKRZSA-N -1 3 312.304 2.791 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3Cc4ccc(F)cc43)n2)o1 ZINC000684590481 546249065 /nfs/dbraw/zinc/24/90/65/546249065.db2.gz DTFJKUWKKZUNPJ-LBPRGKRZSA-N -1 3 312.304 2.791 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)[C@H]3Cc4ccc(F)cc43)n[n-]2)o1 ZINC000684590481 546249068 /nfs/dbraw/zinc/24/90/68/546249068.db2.gz DTFJKUWKKZUNPJ-LBPRGKRZSA-N -1 3 312.304 2.791 20 0 DFADHM [O-]c1cccnc1CN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000685426104 546347588 /nfs/dbraw/zinc/34/75/88/546347588.db2.gz OPMVCFVIDDBVSV-CYBMUJFWSA-N -1 3 312.291 2.629 20 0 DFADHM COc1cccc2c(C(=O)Nc3ccnc(C)c3Cl)[n-]nc21 ZINC000685463257 546354722 /nfs/dbraw/zinc/35/47/22/546354722.db2.gz GLFFWPFKCIFFAO-UHFFFAOYSA-N -1 3 316.748 2.603 20 0 DFADHM COc1cccc2c(C(=O)Nc3ccnc(C)c3Cl)n[n-]c21 ZINC000685463257 546354726 /nfs/dbraw/zinc/35/47/26/546354726.db2.gz GLFFWPFKCIFFAO-UHFFFAOYSA-N -1 3 316.748 2.603 20 0 DFADHM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1cc([O-])ccc1Cl ZINC000685816471 546393945 /nfs/dbraw/zinc/39/39/45/546393945.db2.gz DGAILIBWYXLIFT-BDJLRTHQSA-N -1 3 319.788 2.940 20 0 DFADHM [O-]c1cc(CN2C[C@H](O)CC(F)(F)C2)cc(C(F)(F)F)c1 ZINC000685844623 546396664 /nfs/dbraw/zinc/39/66/64/546396664.db2.gz SOKUOLGZBCGHPA-LLVKDONJSA-N -1 3 311.250 2.613 20 0 DFADHM [O-]c1cc(CN2CC(F)(F)C[C@@H]2CO)cc(C(F)(F)F)c1 ZINC000685845564 546398289 /nfs/dbraw/zinc/39/82/89/546398289.db2.gz SIQIGSICXKZQEG-SNVBAGLBSA-N -1 3 311.250 2.613 20 0 DFADHM CCn1cncc1[C@H]1CCCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000685874523 546403410 /nfs/dbraw/zinc/40/34/10/546403410.db2.gz BNFNVLXCJQTXSY-OAHLLOKOSA-N -1 3 324.388 2.542 20 0 DFADHM Cc1ccc(C[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737334611 598830476 /nfs/dbraw/zinc/83/04/76/598830476.db2.gz JSSPDNWZPAIBHZ-INIZCTEOSA-N -1 3 320.400 2.782 20 0 DFADHM Cc1ccc(C[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737334611 598830478 /nfs/dbraw/zinc/83/04/78/598830478.db2.gz JSSPDNWZPAIBHZ-INIZCTEOSA-N -1 3 320.400 2.782 20 0 DFADHM CC(C)(C)CCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735601968 598847895 /nfs/dbraw/zinc/84/78/95/598847895.db2.gz IQCTXQXARYPXCN-KTKRTIGZSA-N -1 3 313.405 2.822 20 0 DFADHM CC(C)(C)CCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735601968 598847896 /nfs/dbraw/zinc/84/78/96/598847896.db2.gz IQCTXQXARYPXCN-KTKRTIGZSA-N -1 3 313.405 2.822 20 0 DFADHM Fc1ccc(Cc2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737647338 598860054 /nfs/dbraw/zinc/86/00/54/598860054.db2.gz CBKGCQBKYFIUHK-UHFFFAOYSA-N -1 3 322.303 2.647 20 0 DFADHM Fc1ccc(Cc2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737647338 598860056 /nfs/dbraw/zinc/86/00/56/598860056.db2.gz CBKGCQBKYFIUHK-UHFFFAOYSA-N -1 3 322.303 2.647 20 0 DFADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000736103073 598865331 /nfs/dbraw/zinc/86/53/31/598865331.db2.gz VYOUIBCSLCMKFQ-IIANPFDCSA-N -1 3 311.389 2.575 20 0 DFADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000736103073 598865333 /nfs/dbraw/zinc/86/53/33/598865333.db2.gz VYOUIBCSLCMKFQ-IIANPFDCSA-N -1 3 311.389 2.575 20 0 DFADHM C[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000736224107 598888549 /nfs/dbraw/zinc/88/85/49/598888549.db2.gz LMKOYCPLCCEUAT-YABSGUDNSA-N -1 3 314.393 2.813 20 0 DFADHM C[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000736224107 598888551 /nfs/dbraw/zinc/88/85/51/598888551.db2.gz LMKOYCPLCCEUAT-YABSGUDNSA-N -1 3 314.393 2.813 20 0 DFADHM CC(C)[C@@H](C)CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120120 598890590 /nfs/dbraw/zinc/89/05/90/598890590.db2.gz XHJGGTFDVPRDSV-NWDGAFQWSA-N -1 3 316.409 2.519 20 0 DFADHM CC(C)[C@@H](C)CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120120 598890591 /nfs/dbraw/zinc/89/05/91/598890591.db2.gz XHJGGTFDVPRDSV-NWDGAFQWSA-N -1 3 316.409 2.519 20 0 DFADHM Cc1ncsc1CCSc1ccc(-c2nnn[n-]2)cc1 ZINC000737504033 598892784 /nfs/dbraw/zinc/89/27/84/598892784.db2.gz TUKCLZUJEIVNCW-UHFFFAOYSA-N -1 3 303.416 2.966 20 0 DFADHM Cc1ncsc1CCSc1ccc(-c2nn[n-]n2)cc1 ZINC000737504033 598892786 /nfs/dbraw/zinc/89/27/86/598892786.db2.gz TUKCLZUJEIVNCW-UHFFFAOYSA-N -1 3 303.416 2.966 20 0 DFADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736259719 598907088 /nfs/dbraw/zinc/90/70/88/598907088.db2.gz GFXVGSVHNUPBKP-QWHCGFSZSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736259719 598907089 /nfs/dbraw/zinc/90/70/89/598907089.db2.gz GFXVGSVHNUPBKP-QWHCGFSZSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@@H]1CCCCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736267204 598907189 /nfs/dbraw/zinc/90/71/89/598907189.db2.gz MHISGXDKRKTGQS-OCHBPSSRSA-N -1 3 311.389 2.671 20 0 DFADHM C[C@@H]1CCCCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736267204 598907190 /nfs/dbraw/zinc/90/71/90/598907190.db2.gz MHISGXDKRKTGQS-OCHBPSSRSA-N -1 3 311.389 2.671 20 0 DFADHM C[C@H]1CCCCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736267201 598907433 /nfs/dbraw/zinc/90/74/33/598907433.db2.gz MHISGXDKRKTGQS-NHAQELONSA-N -1 3 311.389 2.671 20 0 DFADHM C[C@H]1CCCCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736267201 598907435 /nfs/dbraw/zinc/90/74/35/598907435.db2.gz MHISGXDKRKTGQS-NHAQELONSA-N -1 3 311.389 2.671 20 0 DFADHM C[C@@H]1CCCCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736268305 598907468 /nfs/dbraw/zinc/90/74/68/598907468.db2.gz SHZIUZBAQLIADZ-CYBMUJFWSA-N -1 3 313.405 2.590 20 0 DFADHM C[C@@H]1CCCCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736268305 598907471 /nfs/dbraw/zinc/90/74/71/598907471.db2.gz SHZIUZBAQLIADZ-CYBMUJFWSA-N -1 3 313.405 2.590 20 0 DFADHM O=Cc1cccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000738316528 598935589 /nfs/dbraw/zinc/93/55/89/598935589.db2.gz CSKZQNSPEOMKCP-UHFFFAOYSA-N -1 3 301.693 2.520 20 0 DFADHM O=Cc1cccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000738316528 598935590 /nfs/dbraw/zinc/93/55/90/598935590.db2.gz CSKZQNSPEOMKCP-UHFFFAOYSA-N -1 3 301.693 2.520 20 0 DFADHM Fc1cccc(F)c1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737660364 598935738 /nfs/dbraw/zinc/93/57/38/598935738.db2.gz IXXRQUWWGTZWEJ-UHFFFAOYSA-N -1 3 309.663 2.986 20 0 DFADHM Fc1cccc(F)c1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737660364 598935740 /nfs/dbraw/zinc/93/57/40/598935740.db2.gz IXXRQUWWGTZWEJ-UHFFFAOYSA-N -1 3 309.663 2.986 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CC[C@H]1c1ccccc1 ZINC000737562545 598939214 /nfs/dbraw/zinc/93/92/14/598939214.db2.gz JSNWDKQAZYQLHG-ZDUSSCGKSA-N -1 3 312.764 2.867 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CC[C@H]1c1ccccc1 ZINC000737562545 598939215 /nfs/dbraw/zinc/93/92/15/598939215.db2.gz JSNWDKQAZYQLHG-ZDUSSCGKSA-N -1 3 312.764 2.867 20 0 DFADHM CCN(Cc1ccoc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736556200 598941091 /nfs/dbraw/zinc/94/10/91/598941091.db2.gz OHSVQUCXJDKGFW-UHFFFAOYSA-N -1 3 304.741 2.535 20 0 DFADHM CCN(Cc1ccoc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736556200 598941093 /nfs/dbraw/zinc/94/10/93/598941093.db2.gz OHSVQUCXJDKGFW-UHFFFAOYSA-N -1 3 304.741 2.535 20 0 DFADHM CCc1nc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000736704238 598942133 /nfs/dbraw/zinc/94/21/33/598942133.db2.gz KLTAXVLRBZSFSQ-UHFFFAOYSA-N -1 3 321.797 2.546 20 0 DFADHM CCc1nc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000736704238 598942134 /nfs/dbraw/zinc/94/21/34/598942134.db2.gz KLTAXVLRBZSFSQ-UHFFFAOYSA-N -1 3 321.797 2.546 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C1CCCC1 ZINC000737292185 598973567 /nfs/dbraw/zinc/97/35/67/598973567.db2.gz SZXPFMTYMDXKIN-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C1CCCC1 ZINC000737292185 598973569 /nfs/dbraw/zinc/97/35/69/598973569.db2.gz SZXPFMTYMDXKIN-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM CCCCc1noc(CNc2cccc(-c3nnn[n-]3)c2C)n1 ZINC000821081803 607256391 /nfs/dbraw/zinc/25/63/91/607256391.db2.gz ABCQQZYXCNNUPQ-UHFFFAOYSA-N -1 3 313.365 2.513 20 0 DFADHM CCCCc1noc(CNc2cccc(-c3nn[n-]n3)c2C)n1 ZINC000821081803 607256392 /nfs/dbraw/zinc/25/63/92/607256392.db2.gz ABCQQZYXCNNUPQ-UHFFFAOYSA-N -1 3 313.365 2.513 20 0 DFADHM COC(=O)c1cccc(CNc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821669965 607256439 /nfs/dbraw/zinc/25/64/39/607256439.db2.gz HCTAOOBYFFZNHC-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM COC(=O)c1cccc(CNc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821669965 607256440 /nfs/dbraw/zinc/25/64/40/607256440.db2.gz HCTAOOBYFFZNHC-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM Cc1nc(CNc2cccc(-c3nnn[n-]3)c2C)sc1C ZINC000822444096 607256938 /nfs/dbraw/zinc/25/69/38/607256938.db2.gz AICDBRQWPIRODY-UHFFFAOYSA-N -1 3 300.391 2.861 20 0 DFADHM Cc1nc(CNc2cccc(-c3nn[n-]n3)c2C)sc1C ZINC000822444096 607256939 /nfs/dbraw/zinc/25/69/39/607256939.db2.gz AICDBRQWPIRODY-UHFFFAOYSA-N -1 3 300.391 2.861 20 0 DFADHM CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736397414 599012425 /nfs/dbraw/zinc/01/24/25/599012425.db2.gz UZNIOBQGMXATMY-BXUZGUMPSA-N -1 3 314.393 2.957 20 0 DFADHM CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736397414 599012426 /nfs/dbraw/zinc/01/24/26/599012426.db2.gz UZNIOBQGMXATMY-BXUZGUMPSA-N -1 3 314.393 2.957 20 0 DFADHM Cc1ccccc1[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000822350135 599035308 /nfs/dbraw/zinc/03/53/08/599035308.db2.gz AVRFDKCCHGLYDT-KRWDZBQOSA-N -1 3 321.384 2.753 20 0 DFADHM CC1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736281273 599036519 /nfs/dbraw/zinc/03/65/19/599036519.db2.gz UQEJNMQLJRNIJH-UHFFFAOYSA-N -1 3 312.299 2.517 20 0 DFADHM CC1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736281273 599036521 /nfs/dbraw/zinc/03/65/21/599036521.db2.gz UQEJNMQLJRNIJH-UHFFFAOYSA-N -1 3 312.299 2.517 20 0 DFADHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)[C@@H]2CCCO[C@H]21 ZINC000820585781 599043143 /nfs/dbraw/zinc/04/31/43/599043143.db2.gz PSXIYIBDZJOFPK-ZLKJLUDKSA-N -1 3 317.368 2.621 20 0 DFADHM Cc1ccc([C@@H](O)CNc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000737320029 599046760 /nfs/dbraw/zinc/04/67/60/599046760.db2.gz LJRWITKJFYGRRJ-LBPRGKRZSA-N -1 3 319.752 2.567 20 0 DFADHM Cc1ccc([C@@H](O)CNc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000737320029 599046763 /nfs/dbraw/zinc/04/67/63/599046763.db2.gz LJRWITKJFYGRRJ-LBPRGKRZSA-N -1 3 319.752 2.567 20 0 DFADHM C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820775936 599050544 /nfs/dbraw/zinc/05/05/44/599050544.db2.gz KEZQBVDEZCINBF-HIFRSBDPSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820775936 599050547 /nfs/dbraw/zinc/05/05/47/599050547.db2.gz KEZQBVDEZCINBF-HIFRSBDPSA-N -1 3 320.400 2.892 20 0 DFADHM Cc1c2ccccc2oc1CNc1ncccc1-c1nnn[n-]1 ZINC000737215482 599058023 /nfs/dbraw/zinc/05/80/23/599058023.db2.gz JAAQUFLUAYLBFL-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1c2ccccc2oc1CNc1ncccc1-c1nn[n-]n1 ZINC000737215482 599058026 /nfs/dbraw/zinc/05/80/26/599058026.db2.gz JAAQUFLUAYLBFL-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM COC1CCC(N(C)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000736960408 599061991 /nfs/dbraw/zinc/06/19/91/599061991.db2.gz FZHKWNHSHIZRDF-UHFFFAOYSA-N -1 3 323.347 2.539 20 0 DFADHM COC1CCC(N(C)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000736960408 599061995 /nfs/dbraw/zinc/06/19/95/599061995.db2.gz FZHKWNHSHIZRDF-UHFFFAOYSA-N -1 3 323.347 2.539 20 0 DFADHM Cc1cccc(F)c1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000822308653 599068904 /nfs/dbraw/zinc/06/89/04/599068904.db2.gz IBQAQFFOWMDGOY-UHFFFAOYSA-N -1 3 324.363 2.810 20 0 DFADHM Cc1cccc(F)c1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000822308653 599068906 /nfs/dbraw/zinc/06/89/06/599068906.db2.gz IBQAQFFOWMDGOY-UHFFFAOYSA-N -1 3 324.363 2.810 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2F)N(c2ncccc2-c2nnn[n-]2)C1 ZINC000820669191 599077302 /nfs/dbraw/zinc/07/73/02/599077302.db2.gz ZQYNHSCPEOJBLN-ABAIWWIYSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2F)N(c2ncccc2-c2nn[n-]n2)C1 ZINC000820669191 599077305 /nfs/dbraw/zinc/07/73/05/599077305.db2.gz ZQYNHSCPEOJBLN-ABAIWWIYSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820668787 599077773 /nfs/dbraw/zinc/07/77/73/599077773.db2.gz WNTFRTMWYXACOV-ABAIWWIYSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820668787 599077776 /nfs/dbraw/zinc/07/77/76/599077776.db2.gz WNTFRTMWYXACOV-ABAIWWIYSA-N -1 3 324.363 2.988 20 0 DFADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NCCC3CC3)c2c1 ZINC000822582109 599078814 /nfs/dbraw/zinc/07/88/14/599078814.db2.gz QCJNNKYLOPYPIW-UHFFFAOYSA-N -1 3 314.780 2.702 20 0 DFADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NCCC3CC3)c2c1 ZINC000822582109 599078816 /nfs/dbraw/zinc/07/88/16/599078816.db2.gz QCJNNKYLOPYPIW-UHFFFAOYSA-N -1 3 314.780 2.702 20 0 DFADHM CC[C@@]1(C)CCCN(c2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000820950144 599089941 /nfs/dbraw/zinc/08/99/41/599089941.db2.gz JZLQZJVEAKPTAE-INIZCTEOSA-N -1 3 300.410 2.895 20 0 DFADHM CC[C@@]1(C)CCCN(c2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000820950144 599089943 /nfs/dbraw/zinc/08/99/43/599089943.db2.gz JZLQZJVEAKPTAE-INIZCTEOSA-N -1 3 300.410 2.895 20 0 DFADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820280703 599097695 /nfs/dbraw/zinc/09/76/95/599097695.db2.gz MVCZSFWVEFINBF-SECBINFHSA-N -1 3 316.315 2.756 20 0 DFADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820280703 599097697 /nfs/dbraw/zinc/09/76/97/599097697.db2.gz MVCZSFWVEFINBF-SECBINFHSA-N -1 3 316.315 2.756 20 0 DFADHM C[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736019273 599101280 /nfs/dbraw/zinc/10/12/80/599101280.db2.gz ZWIXNYSUFBRABB-SNVBAGLBSA-N -1 3 302.382 2.670 20 0 DFADHM C[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736019273 599101281 /nfs/dbraw/zinc/10/12/81/599101281.db2.gz ZWIXNYSUFBRABB-SNVBAGLBSA-N -1 3 302.382 2.670 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N(CC1CC1)CC1CC1 ZINC000738178139 599105167 /nfs/dbraw/zinc/10/51/67/599105167.db2.gz PYHKLMUIJOBEFI-UHFFFAOYSA-N -1 3 312.377 2.521 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N(CC1CC1)CC1CC1 ZINC000738178139 599105168 /nfs/dbraw/zinc/10/51/68/599105168.db2.gz PYHKLMUIJOBEFI-UHFFFAOYSA-N -1 3 312.377 2.521 20 0 DFADHM CCc1cnc(CSc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000821499917 599127004 /nfs/dbraw/zinc/12/70/04/599127004.db2.gz VUXCORCTSWKCMZ-UHFFFAOYSA-N -1 3 305.338 2.849 20 0 DFADHM CCc1cnc(CSc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000821499917 599127007 /nfs/dbraw/zinc/12/70/07/599127007.db2.gz VUXCORCTSWKCMZ-UHFFFAOYSA-N -1 3 305.338 2.849 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820868985 599159118 /nfs/dbraw/zinc/15/91/18/599159118.db2.gz DKSPNSCBIAAOGG-GWJJPBGRSA-N -1 3 313.405 2.821 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820868985 599159120 /nfs/dbraw/zinc/15/91/20/599159120.db2.gz DKSPNSCBIAAOGG-GWJJPBGRSA-N -1 3 313.405 2.821 20 0 DFADHM CCCCCCC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821051196 599166158 /nfs/dbraw/zinc/16/61/58/599166158.db2.gz ZGRUHUUVRHNNTK-UHFFFAOYSA-N -1 3 305.357 2.592 20 0 DFADHM CCCCCCC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821051196 599166159 /nfs/dbraw/zinc/16/61/59/599166159.db2.gz ZGRUHUUVRHNNTK-UHFFFAOYSA-N -1 3 305.357 2.592 20 0 DFADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737333906 599167760 /nfs/dbraw/zinc/16/77/60/599167760.db2.gz WKEPYKNRRFXBMS-AWEZNQCLSA-N -1 3 323.356 2.745 20 0 DFADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737333906 599167762 /nfs/dbraw/zinc/16/77/62/599167762.db2.gz WKEPYKNRRFXBMS-AWEZNQCLSA-N -1 3 323.356 2.745 20 0 DFADHM CC(C)(C)C1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000735598346 599168129 /nfs/dbraw/zinc/16/81/29/599168129.db2.gz YPAQNKPISJFMLF-UHFFFAOYSA-N -1 3 319.434 2.827 20 0 DFADHM CC(C)(C)C1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000735598346 599168132 /nfs/dbraw/zinc/16/81/32/599168132.db2.gz YPAQNKPISJFMLF-UHFFFAOYSA-N -1 3 319.434 2.827 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cnc2ccsc2c1 ZINC000738190283 599177925 /nfs/dbraw/zinc/17/79/25/599177925.db2.gz CBVBGUNDZWNWRH-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cnc2ccsc2c1 ZINC000738190283 599177927 /nfs/dbraw/zinc/17/79/27/599177927.db2.gz CBVBGUNDZWNWRH-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM COCCCCCSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736978130 599210374 /nfs/dbraw/zinc/21/03/74/599210374.db2.gz FKWLECUSTJPHSW-UHFFFAOYSA-N -1 3 322.434 2.795 20 0 DFADHM COCCCCCSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736978130 599210375 /nfs/dbraw/zinc/21/03/75/599210375.db2.gz FKWLECUSTJPHSW-UHFFFAOYSA-N -1 3 322.434 2.795 20 0 DFADHM COCCCCCSCCOc1ccccc1-c1nnn[n-]1 ZINC000736978455 599210427 /nfs/dbraw/zinc/21/04/27/599210427.db2.gz KBQFBZOWMZISLG-UHFFFAOYSA-N -1 3 322.434 2.795 20 0 DFADHM COCCCCCSCCOc1ccccc1-c1nn[n-]n1 ZINC000736978455 599210429 /nfs/dbraw/zinc/21/04/29/599210429.db2.gz KBQFBZOWMZISLG-UHFFFAOYSA-N -1 3 322.434 2.795 20 0 DFADHM C[C@@H](COC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736036415 599214253 /nfs/dbraw/zinc/21/42/53/599214253.db2.gz AEBJSUZXELVYFY-LBPRGKRZSA-N -1 3 308.341 2.827 20 0 DFADHM C[C@@H](COC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736036415 599214255 /nfs/dbraw/zinc/21/42/55/599214255.db2.gz AEBJSUZXELVYFY-LBPRGKRZSA-N -1 3 308.341 2.827 20 0 DFADHM CCC[C@]1(C)CCCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000821027186 599220143 /nfs/dbraw/zinc/22/01/43/599220143.db2.gz LTEWDFZHYYYAKT-OAHLLOKOSA-N -1 3 319.434 2.971 20 0 DFADHM CCC[C@]1(C)CCCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000821027186 599220146 /nfs/dbraw/zinc/22/01/46/599220146.db2.gz LTEWDFZHYYYAKT-OAHLLOKOSA-N -1 3 319.434 2.971 20 0 DFADHM CC(C)[C@H]1CCCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000735751211 599226129 /nfs/dbraw/zinc/22/61/29/599226129.db2.gz VLAXMZXVQYFNSA-LLVKDONJSA-N -1 3 305.407 2.579 20 0 DFADHM CC(C)[C@H]1CCCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000735751211 599226130 /nfs/dbraw/zinc/22/61/30/599226130.db2.gz VLAXMZXVQYFNSA-LLVKDONJSA-N -1 3 305.407 2.579 20 0 DFADHM COc1ccccc1-c1cc(CN2CCC(C(=O)[O-])CC2)on1 ZINC000739960205 596921804 /nfs/dbraw/zinc/92/18/04/596921804.db2.gz RDUQNQNMHJSFDT-UHFFFAOYSA-N -1 3 316.357 2.647 20 0 DFADHM CC[C@@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000736400847 599230290 /nfs/dbraw/zinc/23/02/90/599230290.db2.gz CVMXUXBMIUHTIH-GFCCVEGCSA-N -1 3 312.421 2.767 20 0 DFADHM CC[C@@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000736400847 599230293 /nfs/dbraw/zinc/23/02/93/599230293.db2.gz CVMXUXBMIUHTIH-GFCCVEGCSA-N -1 3 312.421 2.767 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738023678 599227509 /nfs/dbraw/zinc/22/75/09/599227509.db2.gz IRZCEYGTXXUOJO-SLEUVZQESA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738023678 599227511 /nfs/dbraw/zinc/22/75/11/599227511.db2.gz IRZCEYGTXXUOJO-SLEUVZQESA-N -1 3 311.389 2.565 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820870328 599227814 /nfs/dbraw/zinc/22/78/14/599227814.db2.gz QNOWJIYHLFSSRY-QWRGUYRKSA-N -1 3 318.450 2.978 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820870328 599227816 /nfs/dbraw/zinc/22/78/16/599227816.db2.gz QNOWJIYHLFSSRY-QWRGUYRKSA-N -1 3 318.450 2.978 20 0 DFADHM CC(C)c1cnc(NC(=O)c2sccc2-c2nnn[n-]2)s1 ZINC000735932499 599228115 /nfs/dbraw/zinc/22/81/15/599228115.db2.gz NCSFRAGGMJBMDX-UHFFFAOYSA-N -1 3 320.403 2.760 20 0 DFADHM CC(C)c1cnc(NC(=O)c2sccc2-c2nn[n-]n2)s1 ZINC000735932499 599228116 /nfs/dbraw/zinc/22/81/16/599228116.db2.gz NCSFRAGGMJBMDX-UHFFFAOYSA-N -1 3 320.403 2.760 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C(C)C)C(C)C ZINC000822218164 607266575 /nfs/dbraw/zinc/26/65/75/607266575.db2.gz YXFQIDTWICFRBD-UHFFFAOYSA-N -1 3 316.409 2.977 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C(C)C)C(C)C ZINC000822218164 607266576 /nfs/dbraw/zinc/26/65/76/607266576.db2.gz YXFQIDTWICFRBD-UHFFFAOYSA-N -1 3 316.409 2.977 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820870486 599245767 /nfs/dbraw/zinc/24/57/67/599245767.db2.gz TTYUKOTWGXHHSH-MNOVXSKESA-N -1 3 302.382 2.813 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820870486 599245768 /nfs/dbraw/zinc/24/57/68/599245768.db2.gz TTYUKOTWGXHHSH-MNOVXSKESA-N -1 3 302.382 2.813 20 0 DFADHM Cc1c(NC(=O)N2CCCCC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822084226 607282139 /nfs/dbraw/zinc/28/21/39/607282139.db2.gz HISRACLZFGVPJR-NSHDSACASA-N -1 3 314.393 2.972 20 0 DFADHM Cc1c(NC(=O)N2CCCCC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822084226 607282140 /nfs/dbraw/zinc/28/21/40/607282140.db2.gz HISRACLZFGVPJR-NSHDSACASA-N -1 3 314.393 2.972 20 0 DFADHM Cc1c(NC(=O)N2CCCC2(C)C)cccc1-c1nnn[n-]1 ZINC000822085241 607283150 /nfs/dbraw/zinc/28/31/50/607283150.db2.gz XJIVRDQCHAVRNT-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM Cc1c(NC(=O)N2CCCC2(C)C)cccc1-c1nn[n-]n1 ZINC000822085241 607283151 /nfs/dbraw/zinc/28/31/51/607283151.db2.gz XJIVRDQCHAVRNT-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM Cc1c(NC(=O)N(CC(C)C)C2CC2)cccc1-c1nnn[n-]1 ZINC000822076715 607286466 /nfs/dbraw/zinc/28/64/66/607286466.db2.gz RCXZVSLQOQNROT-UHFFFAOYSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N(CC(C)C)C2CC2)cccc1-c1nn[n-]n1 ZINC000822076715 607286467 /nfs/dbraw/zinc/28/64/67/607286467.db2.gz RCXZVSLQOQNROT-UHFFFAOYSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)NCCC(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822097027 607286528 /nfs/dbraw/zinc/28/65/28/607286528.db2.gz SEUPTVQYTJDRNV-UHFFFAOYSA-N -1 3 302.382 2.733 20 0 DFADHM Cc1c(NC(=O)NCCC(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822097027 607286529 /nfs/dbraw/zinc/28/65/29/607286529.db2.gz SEUPTVQYTJDRNV-UHFFFAOYSA-N -1 3 302.382 2.733 20 0 DFADHM Cc1cccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822303530 607291163 /nfs/dbraw/zinc/29/11/63/607291163.db2.gz DNNNVSXGENHERY-UHFFFAOYSA-N -1 3 322.372 2.805 20 0 DFADHM Cc1cccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822303530 607291164 /nfs/dbraw/zinc/29/11/64/607291164.db2.gz DNNNVSXGENHERY-UHFFFAOYSA-N -1 3 322.372 2.805 20 0 DFADHM Cc1c(NC(=O)[C@H](C)c2cccs2)cccc1-c1nnn[n-]1 ZINC000822061706 607294855 /nfs/dbraw/zinc/29/48/55/607294855.db2.gz VJUZOEKNSUWASN-SNVBAGLBSA-N -1 3 313.386 2.979 20 0 DFADHM Cc1c(NC(=O)[C@H](C)c2cccs2)cccc1-c1nn[n-]n1 ZINC000822061706 607294856 /nfs/dbraw/zinc/29/48/56/607294856.db2.gz VJUZOEKNSUWASN-SNVBAGLBSA-N -1 3 313.386 2.979 20 0 DFADHM Cc1c(NC(=O)CCCc2ccccn2)cccc1-c1nnn[n-]1 ZINC000822066560 607295828 /nfs/dbraw/zinc/29/58/28/607295828.db2.gz GFBPSWYKUFNCQV-UHFFFAOYSA-N -1 3 322.372 2.532 20 0 DFADHM Cc1c(NC(=O)CCCc2ccccn2)cccc1-c1nn[n-]n1 ZINC000822066560 607295829 /nfs/dbraw/zinc/29/58/29/607295829.db2.gz GFBPSWYKUFNCQV-UHFFFAOYSA-N -1 3 322.372 2.532 20 0 DFADHM O[C@@H]1CCCC[C@H]1CCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000823706924 607306610 /nfs/dbraw/zinc/30/66/10/607306610.db2.gz RTBVRYFHWJZJEK-XHDPSFHLSA-N -1 3 319.384 2.749 20 0 DFADHM COc1ccc(NCc2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000821835683 607311630 /nfs/dbraw/zinc/31/16/30/607311630.db2.gz PGOBYCKHMSNZOP-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM COc1ccc(NCc2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000821835683 607311631 /nfs/dbraw/zinc/31/16/31/607311631.db2.gz PGOBYCKHMSNZOP-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM Cc1nc2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2o1 ZINC000822462090 607311781 /nfs/dbraw/zinc/31/17/81/607311781.db2.gz FHUGQMXLJWREGI-UHFFFAOYSA-N -1 3 312.358 2.990 20 0 DFADHM Cc1nc2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2o1 ZINC000822462090 607311782 /nfs/dbraw/zinc/31/17/82/607311782.db2.gz FHUGQMXLJWREGI-UHFFFAOYSA-N -1 3 312.358 2.990 20 0 DFADHM CC=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000820826982 607303625 /nfs/dbraw/zinc/30/36/25/607303625.db2.gz PNLLNLMYNHJQIG-DHFUWRPHSA-N -1 3 317.418 2.958 20 0 DFADHM C/C=C(\C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000820826982 607303626 /nfs/dbraw/zinc/30/36/26/607303626.db2.gz PNLLNLMYNHJQIG-DHFUWRPHSA-N -1 3 317.418 2.958 20 0 DFADHM CC=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000820826988 607303652 /nfs/dbraw/zinc/30/36/52/607303652.db2.gz PNLLNLMYNHJQIG-SXPLAPADSA-N -1 3 317.418 2.958 20 0 DFADHM C/C=C(\C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000820826988 607303653 /nfs/dbraw/zinc/30/36/53/607303653.db2.gz PNLLNLMYNHJQIG-SXPLAPADSA-N -1 3 317.418 2.958 20 0 DFADHM CC=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820826285 607303665 /nfs/dbraw/zinc/30/36/65/607303665.db2.gz MALUSSJOHZBWFV-BAQGIRSFSA-N -1 3 303.391 2.712 20 0 DFADHM C/C=C(/C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820826285 607303666 /nfs/dbraw/zinc/30/36/66/607303666.db2.gz MALUSSJOHZBWFV-BAQGIRSFSA-N -1 3 303.391 2.712 20 0 DFADHM CC(C)c1nnc(NCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000820211825 607304424 /nfs/dbraw/zinc/30/44/24/607304424.db2.gz YMGLMEOZAQLCRX-UHFFFAOYSA-N -1 3 319.369 2.593 20 0 DFADHM CC(C)c1nnc(NCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000820211825 607304425 /nfs/dbraw/zinc/30/44/25/607304425.db2.gz YMGLMEOZAQLCRX-UHFFFAOYSA-N -1 3 319.369 2.593 20 0 DFADHM C[C@H](Nc1nnc(C(F)F)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461872 607304606 /nfs/dbraw/zinc/30/46/06/607304606.db2.gz RUBIUSQSQMGBEC-LURJTMIESA-N -1 3 323.332 2.829 20 0 DFADHM C[C@H](Nc1nnc(C(F)F)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461872 607304607 /nfs/dbraw/zinc/30/46/07/607304607.db2.gz RUBIUSQSQMGBEC-LURJTMIESA-N -1 3 323.332 2.829 20 0 DFADHM C[C@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000736251790 599269294 /nfs/dbraw/zinc/26/92/94/599269294.db2.gz IUYVLHNPQUITIH-NWDGAFQWSA-N -1 3 308.389 2.827 20 0 DFADHM C[C@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000736251790 599269296 /nfs/dbraw/zinc/26/92/96/599269296.db2.gz IUYVLHNPQUITIH-NWDGAFQWSA-N -1 3 308.389 2.827 20 0 DFADHM Fc1ccc(CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000737650553 599269970 /nfs/dbraw/zinc/26/99/70/599269970.db2.gz SLSBLUIABXTUDJ-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000737650553 599269971 /nfs/dbraw/zinc/26/99/71/599269971.db2.gz SLSBLUIABXTUDJ-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC(C)C ZINC000736488838 599277385 /nfs/dbraw/zinc/27/73/85/599277385.db2.gz UWDQCHYYGHZSQY-UHFFFAOYSA-N -1 3 302.382 2.673 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820869240 599278790 /nfs/dbraw/zinc/27/87/90/599278790.db2.gz FFYRRLFBKMWNTF-ZJUUUORDSA-N -1 3 320.372 2.952 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820869240 599278793 /nfs/dbraw/zinc/27/87/93/599278793.db2.gz FFYRRLFBKMWNTF-ZJUUUORDSA-N -1 3 320.372 2.952 20 0 DFADHM O=C([O-])C1CCC(NCc2nnc(-c3ccccc3)s2)CC1 ZINC000821504245 598109943 /nfs/dbraw/zinc/10/99/43/598109943.db2.gz JSDXUQPTLZGENL-UHFFFAOYSA-N -1 3 317.414 2.938 20 0 DFADHM CC[C@H](NC1CCC(C(=O)[O-])CC1)c1nnc2n1CCCCC2 ZINC000820285030 598115383 /nfs/dbraw/zinc/11/53/83/598115383.db2.gz MFJHQAWACRSLOP-RUXDESIVSA-N -1 3 320.437 2.689 20 0 DFADHM CCCOc1cccc(CCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000821138766 607330824 /nfs/dbraw/zinc/33/08/24/607330824.db2.gz GYDWTPDEPHUFHE-UHFFFAOYSA-N -1 3 324.388 2.705 20 0 DFADHM CCCOc1cccc(CCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000821138766 607330825 /nfs/dbraw/zinc/33/08/25/607330825.db2.gz GYDWTPDEPHUFHE-UHFFFAOYSA-N -1 3 324.388 2.705 20 0 DFADHM Cc1cn(Cc2ncc(-c3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000822389488 607331153 /nfs/dbraw/zinc/33/11/53/607331153.db2.gz YHYOPIVCHHSZRJ-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1cn(Cc2ncc(-c3ccccc3)o2)cc1-c1nn[n-]n1 ZINC000822389488 607331154 /nfs/dbraw/zinc/33/11/54/607331154.db2.gz YHYOPIVCHHSZRJ-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM CCOc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1O ZINC000213492112 598203481 /nfs/dbraw/zinc/20/34/81/598203481.db2.gz GBEIFXQTCFSUGJ-UHFFFAOYSA-N -1 3 301.342 2.779 20 0 DFADHM CCC1(C)CCN(c2nc(C)cc(C)c2-c2nnn[n-]2)CC1 ZINC000736396332 598245281 /nfs/dbraw/zinc/24/52/81/598245281.db2.gz LMLADLDXUUBPMW-UHFFFAOYSA-N -1 3 300.410 2.895 20 0 DFADHM CCC1(C)CCN(c2nc(C)cc(C)c2-c2nn[n-]n2)CC1 ZINC000736396332 598245282 /nfs/dbraw/zinc/24/52/82/598245282.db2.gz LMLADLDXUUBPMW-UHFFFAOYSA-N -1 3 300.410 2.895 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCc1ccccn1 ZINC000737290059 598259357 /nfs/dbraw/zinc/25/93/57/598259357.db2.gz BBOZVNKPESJQMF-UHFFFAOYSA-N -1 3 322.372 2.532 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1ccccn1 ZINC000737290059 598259358 /nfs/dbraw/zinc/25/93/58/598259358.db2.gz BBOZVNKPESJQMF-UHFFFAOYSA-N -1 3 322.372 2.532 20 0 DFADHM CCC[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736424276 598276515 /nfs/dbraw/zinc/27/65/15/598276515.db2.gz PUXIYNKXCAGHAS-JTQLQIEISA-N -1 3 319.413 2.733 20 0 DFADHM CCC[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736424276 598276516 /nfs/dbraw/zinc/27/65/16/598276516.db2.gz PUXIYNKXCAGHAS-JTQLQIEISA-N -1 3 319.413 2.733 20 0 DFADHM CCC(C)(C)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820848344 599627840 /nfs/dbraw/zinc/62/78/40/599627840.db2.gz VKGCLLVVVFODJH-MDZDMXLPSA-N -1 3 300.362 2.859 20 0 DFADHM CCC(C)(C)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820848344 599627841 /nfs/dbraw/zinc/62/78/41/599627841.db2.gz VKGCLLVVVFODJH-MDZDMXLPSA-N -1 3 300.362 2.859 20 0 DFADHM Cc1cc(CSCc2cc(-c3nn[n-]n3)ccc2F)on1 ZINC000737265088 598313593 /nfs/dbraw/zinc/31/35/93/598313593.db2.gz SMLZTMQCUKDXRV-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM Cc1cc(CSCc2cc(-c3nnn[n-]3)ccc2F)on1 ZINC000737265088 598313591 /nfs/dbraw/zinc/31/35/91/598313591.db2.gz SMLZTMQCUKDXRV-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM CCCc1nc(CSCc2cccc(-c3nnn[n-]3)c2)no1 ZINC000736495472 598313663 /nfs/dbraw/zinc/31/36/63/598313663.db2.gz KZLYKPCYQUPSTN-UHFFFAOYSA-N -1 3 316.390 2.636 20 0 DFADHM CCCc1nc(CSCc2cccc(-c3nn[n-]n3)c2)no1 ZINC000736495472 598313665 /nfs/dbraw/zinc/31/36/65/598313665.db2.gz KZLYKPCYQUPSTN-UHFFFAOYSA-N -1 3 316.390 2.636 20 0 DFADHM CC(C)CN(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735828021 598323494 /nfs/dbraw/zinc/32/34/94/598323494.db2.gz YCYLPAYZQLLMBJ-UHFFFAOYSA-N -1 3 324.841 2.805 20 0 DFADHM CC(C)CN(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735828021 598323492 /nfs/dbraw/zinc/32/34/92/598323492.db2.gz YCYLPAYZQLLMBJ-UHFFFAOYSA-N -1 3 324.841 2.805 20 0 DFADHM C[C@H]1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736277966 598323948 /nfs/dbraw/zinc/32/39/48/598323948.db2.gz OOSQTQLPCPWBML-QMMMGPOBSA-N -1 3 322.825 2.559 20 0 DFADHM C[C@H]1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736277966 598323950 /nfs/dbraw/zinc/32/39/50/598323950.db2.gz OOSQTQLPCPWBML-QMMMGPOBSA-N -1 3 322.825 2.559 20 0 DFADHM CO[C@@H](C)c1cccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736963915 598381776 /nfs/dbraw/zinc/38/17/76/598381776.db2.gz VFZUWIQNCWINPI-NSHDSACASA-N -1 3 323.356 2.826 20 0 DFADHM CO[C@@H](C)c1cccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736963915 598381778 /nfs/dbraw/zinc/38/17/78/598381778.db2.gz VFZUWIQNCWINPI-NSHDSACASA-N -1 3 323.356 2.826 20 0 DFADHM CO[C@H](C)c1cccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736963911 598381787 /nfs/dbraw/zinc/38/17/87/598381787.db2.gz VFZUWIQNCWINPI-LLVKDONJSA-N -1 3 323.356 2.826 20 0 DFADHM CO[C@H](C)c1cccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736963911 598381788 /nfs/dbraw/zinc/38/17/88/598381788.db2.gz VFZUWIQNCWINPI-LLVKDONJSA-N -1 3 323.356 2.826 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccnc1Cl ZINC000736818507 598395884 /nfs/dbraw/zinc/39/58/84/598395884.db2.gz RSNMRQHKKANXSD-UHFFFAOYSA-N -1 3 314.780 2.547 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccnc1Cl ZINC000736818507 598395886 /nfs/dbraw/zinc/39/58/86/598395886.db2.gz RSNMRQHKKANXSD-UHFFFAOYSA-N -1 3 314.780 2.547 20 0 DFADHM CCC(C)(C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000736315214 598414069 /nfs/dbraw/zinc/41/40/69/598414069.db2.gz QLOPJZPTLSVAEX-JTQLQIEISA-N -1 3 319.434 2.652 20 0 DFADHM CCC(C)(C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000736315214 598414070 /nfs/dbraw/zinc/41/40/70/598414070.db2.gz QLOPJZPTLSVAEX-JTQLQIEISA-N -1 3 319.434 2.652 20 0 DFADHM CCCCOC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000736459973 598425929 /nfs/dbraw/zinc/42/59/29/598425929.db2.gz CTFFDYZPYBQKMM-JTQLQIEISA-N -1 3 306.391 2.691 20 0 DFADHM CCCCOC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000736459973 598425930 /nfs/dbraw/zinc/42/59/30/598425930.db2.gz CTFFDYZPYBQKMM-JTQLQIEISA-N -1 3 306.391 2.691 20 0 DFADHM CCCCOC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000736459974 598426071 /nfs/dbraw/zinc/42/60/71/598426071.db2.gz CTFFDYZPYBQKMM-SNVBAGLBSA-N -1 3 306.391 2.691 20 0 DFADHM CCCCOC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000736459974 598426073 /nfs/dbraw/zinc/42/60/73/598426073.db2.gz CTFFDYZPYBQKMM-SNVBAGLBSA-N -1 3 306.391 2.691 20 0 DFADHM CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCC[C@@H]1C ZINC000736508032 598445881 /nfs/dbraw/zinc/44/58/81/598445881.db2.gz IHPQTCRQZRMBKL-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCC[C@@H]1C ZINC000736508032 598445882 /nfs/dbraw/zinc/44/58/82/598445882.db2.gz IHPQTCRQZRMBKL-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCC[C@@H]1C ZINC000736506420 598446056 /nfs/dbraw/zinc/44/60/56/598446056.db2.gz XZGXBRJBUWSFNM-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCC[C@@H]1C ZINC000736506420 598446057 /nfs/dbraw/zinc/44/60/57/598446057.db2.gz XZGXBRJBUWSFNM-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM C[C@@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736153333 598481166 /nfs/dbraw/zinc/48/11/66/598481166.db2.gz YCOAMOFRXNTZBW-QWRGUYRKSA-N -1 3 300.362 2.907 20 0 DFADHM C[C@@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736153333 598481168 /nfs/dbraw/zinc/48/11/68/598481168.db2.gz YCOAMOFRXNTZBW-QWRGUYRKSA-N -1 3 300.362 2.907 20 0 DFADHM CCS[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736667582 598484961 /nfs/dbraw/zinc/48/49/61/598484961.db2.gz VSWIRZUZIAWOPB-CYBMUJFWSA-N -1 3 320.418 2.688 20 0 DFADHM CCS[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736667582 598484962 /nfs/dbraw/zinc/48/49/62/598484962.db2.gz VSWIRZUZIAWOPB-CYBMUJFWSA-N -1 3 320.418 2.688 20 0 DFADHM C[C@@H](OC(=O)CCc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000736150893 598486846 /nfs/dbraw/zinc/48/68/46/598486846.db2.gz OSACNUJPWUIVTM-LLVKDONJSA-N -1 3 312.329 2.697 20 0 DFADHM C[C@@H](OC(=O)CCc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000736150893 598486847 /nfs/dbraw/zinc/48/68/47/598486847.db2.gz OSACNUJPWUIVTM-LLVKDONJSA-N -1 3 312.329 2.697 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000736151140 598490138 /nfs/dbraw/zinc/49/01/38/598490138.db2.gz KZTTYCLKSGPQPC-TVRMLOFPSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000736151140 598490140 /nfs/dbraw/zinc/49/01/40/598490140.db2.gz KZTTYCLKSGPQPC-TVRMLOFPSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@H](OC(=O)c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160908 598490802 /nfs/dbraw/zinc/49/08/02/598490802.db2.gz ACXZWAJSZWGWHH-JTQLQIEISA-N -1 3 312.304 2.924 20 0 DFADHM C[C@H](OC(=O)c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160908 598490804 /nfs/dbraw/zinc/49/08/04/598490804.db2.gz ACXZWAJSZWGWHH-JTQLQIEISA-N -1 3 312.304 2.924 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000737196621 598494991 /nfs/dbraw/zinc/49/49/91/598494991.db2.gz UOVTWPOKUXNFNO-URVJIDSASA-N -1 3 311.389 2.575 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000737196621 598494992 /nfs/dbraw/zinc/49/49/92/598494992.db2.gz UOVTWPOKUXNFNO-URVJIDSASA-N -1 3 311.389 2.575 20 0 DFADHM O=C(Cc1cccc(Cl)c1)Nc1sccc1-c1nnn[n-]1 ZINC000737968085 598495160 /nfs/dbraw/zinc/49/51/60/598495160.db2.gz FCLKPCAPEKHQJW-UHFFFAOYSA-N -1 3 319.777 2.763 20 0 DFADHM O=C(Cc1cccc(Cl)c1)Nc1sccc1-c1nn[n-]n1 ZINC000737968085 598495163 /nfs/dbraw/zinc/49/51/63/598495163.db2.gz FCLKPCAPEKHQJW-UHFFFAOYSA-N -1 3 319.777 2.763 20 0 DFADHM CCCO[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736487712 598503242 /nfs/dbraw/zinc/50/32/42/598503242.db2.gz HWXMWOOFCVVRFF-HNNXBMFYSA-N -1 3 301.394 2.652 20 0 DFADHM CC=CC=CC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736306661 598516630 /nfs/dbraw/zinc/51/66/30/598516630.db2.gz YQWRFXAQIURHHG-AQXDOAQYSA-N -1 3 303.391 2.870 20 0 DFADHM CC=CC=CC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736306661 598516632 /nfs/dbraw/zinc/51/66/32/598516632.db2.gz YQWRFXAQIURHHG-AQXDOAQYSA-N -1 3 303.391 2.870 20 0 DFADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736443152 598520462 /nfs/dbraw/zinc/52/04/62/598520462.db2.gz ZYXJKLGLECQVLY-IUODEOHRSA-N -1 3 313.405 2.955 20 0 DFADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736443152 598520464 /nfs/dbraw/zinc/52/04/64/598520464.db2.gz ZYXJKLGLECQVLY-IUODEOHRSA-N -1 3 313.405 2.955 20 0 DFADHM CCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736309430 598543501 /nfs/dbraw/zinc/54/35/01/598543501.db2.gz OAASFIIVLNZPMI-UHFFFAOYSA-N -1 3 323.356 2.794 20 0 DFADHM CCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736309430 598543503 /nfs/dbraw/zinc/54/35/03/598543503.db2.gz OAASFIIVLNZPMI-UHFFFAOYSA-N -1 3 323.356 2.794 20 0 DFADHM Fc1ccc(OCCOc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000737656117 598550760 /nfs/dbraw/zinc/55/07/60/598550760.db2.gz IZESOGFWSXCILT-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Fc1ccc(OCCOc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000737656117 598550762 /nfs/dbraw/zinc/55/07/62/598550762.db2.gz IZESOGFWSXCILT-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Fc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737660867 598568134 /nfs/dbraw/zinc/56/81/34/598568134.db2.gz UBDTZFPKOUVDEW-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737660867 598568136 /nfs/dbraw/zinc/56/81/36/598568136.db2.gz UBDTZFPKOUVDEW-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Cc1ccc(C)c(CC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737322287 598571787 /nfs/dbraw/zinc/57/17/87/598571787.db2.gz LHRYQGKYXVYJPA-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM Cc1ccc(C)c(CC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737322287 598571789 /nfs/dbraw/zinc/57/17/89/598571789.db2.gz LHRYQGKYXVYJPA-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@@H]1CCCc2ccccc21 ZINC000738192625 598575446 /nfs/dbraw/zinc/57/54/46/598575446.db2.gz SZLHYFPVLJXAAB-CQSZACIVSA-N -1 3 319.368 2.925 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@@H]1CCCc2ccccc21 ZINC000738192625 598575447 /nfs/dbraw/zinc/57/54/47/598575447.db2.gz SZLHYFPVLJXAAB-CQSZACIVSA-N -1 3 319.368 2.925 20 0 DFADHM Fc1ccc(NC(=S)Nc2ccccc2)cc1-c1nnn[n-]1 ZINC000737661658 598580873 /nfs/dbraw/zinc/58/08/73/598580873.db2.gz ZVDNGXBSPINTHC-UHFFFAOYSA-N -1 3 314.349 2.815 20 0 DFADHM Fc1ccc(NC(=S)Nc2ccccc2)cc1-c1nn[n-]n1 ZINC000737661658 598580875 /nfs/dbraw/zinc/58/08/75/598580875.db2.gz ZVDNGXBSPINTHC-UHFFFAOYSA-N -1 3 314.349 2.815 20 0 DFADHM Cc1ccc(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000737329978 598585348 /nfs/dbraw/zinc/58/53/48/598585348.db2.gz OSVAXNLRMRLLDZ-UHFFFAOYSA-N -1 3 317.349 2.557 20 0 DFADHM Cc1ccc(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000737329978 598585349 /nfs/dbraw/zinc/58/53/49/598585349.db2.gz OSVAXNLRMRLLDZ-UHFFFAOYSA-N -1 3 317.349 2.557 20 0 DFADHM Fc1cccc(-c2noc(Cc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737664834 598612973 /nfs/dbraw/zinc/61/29/73/598612973.db2.gz FCHZXDBJPSEPRI-UHFFFAOYSA-N -1 3 322.303 2.647 20 0 DFADHM Fc1cccc(-c2noc(Cc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737664834 598612975 /nfs/dbraw/zinc/61/29/75/598612975.db2.gz FCHZXDBJPSEPRI-UHFFFAOYSA-N -1 3 322.303 2.647 20 0 DFADHM COc1ccc(CCNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737090147 598629427 /nfs/dbraw/zinc/62/94/27/598629427.db2.gz IPVHUFKSNSBYQP-UHFFFAOYSA-N -1 3 313.336 2.669 20 0 DFADHM COc1ccc(CCNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737090147 598629429 /nfs/dbraw/zinc/62/94/29/598629429.db2.gz IPVHUFKSNSBYQP-UHFFFAOYSA-N -1 3 313.336 2.669 20 0 DFADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736335752 598633529 /nfs/dbraw/zinc/63/35/29/598633529.db2.gz ZNJPQHQFBSKHMM-RKDXNWHRSA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736335752 598633531 /nfs/dbraw/zinc/63/35/31/598633531.db2.gz ZNJPQHQFBSKHMM-RKDXNWHRSA-N -1 3 306.345 2.562 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(F)c(F)c(F)c1 ZINC000738190344 598648003 /nfs/dbraw/zinc/64/80/03/598648003.db2.gz DEIOTDLWORPQRU-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(F)c(F)c(F)c1 ZINC000738190344 598648004 /nfs/dbraw/zinc/64/80/04/598648004.db2.gz DEIOTDLWORPQRU-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM CC(C)Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735850471 598662825 /nfs/dbraw/zinc/66/28/25/598662825.db2.gz QSKJVMAHNJAAHT-UHFFFAOYSA-N -1 3 322.372 2.713 20 0 DFADHM CC(C)Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735850471 598662827 /nfs/dbraw/zinc/66/28/27/598662827.db2.gz QSKJVMAHNJAAHT-UHFFFAOYSA-N -1 3 322.372 2.713 20 0 DFADHM Cc1cccc2[nH]cc(CCNc3ccc(-c4nnn[n-]4)cn3)c21 ZINC000737410735 598674309 /nfs/dbraw/zinc/67/43/09/598674309.db2.gz YKBDOOLXNXELRX-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1cccc2[nH]cc(CCNc3ccc(-c4nn[n-]n4)cn3)c21 ZINC000737410735 598674312 /nfs/dbraw/zinc/67/43/12/598674312.db2.gz YKBDOOLXNXELRX-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM CCC/C(C)=C\C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736419079 598709394 /nfs/dbraw/zinc/70/93/94/598709394.db2.gz JMKXVBRQRYYQHI-YFHOEESVSA-N -1 3 304.325 2.795 20 0 DFADHM CCC/C(C)=C\C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736419079 598709396 /nfs/dbraw/zinc/70/93/96/598709396.db2.gz JMKXVBRQRYYQHI-YFHOEESVSA-N -1 3 304.325 2.795 20 0 DFADHM CCC[C@@H](C)CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736423175 598710787 /nfs/dbraw/zinc/71/07/87/598710787.db2.gz LPAOBWAWNKULQU-SNVBAGLBSA-N -1 3 306.341 2.875 20 0 DFADHM CCC[C@@H](C)CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736423175 598710788 /nfs/dbraw/zinc/71/07/88/598710788.db2.gz LPAOBWAWNKULQU-SNVBAGLBSA-N -1 3 306.341 2.875 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736060202 598741235 /nfs/dbraw/zinc/74/12/35/598741235.db2.gz ZZYCPWPUBIEFSB-CYBMUJFWSA-N -1 3 321.384 2.708 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736060202 598741236 /nfs/dbraw/zinc/74/12/36/598741236.db2.gz ZZYCPWPUBIEFSB-CYBMUJFWSA-N -1 3 321.384 2.708 20 0 DFADHM Cc1nnc(N[C@H]2CCC[C@H](C(C)C)C2)c(-c2nnn[n-]2)c1C ZINC000737523371 598757893 /nfs/dbraw/zinc/75/78/93/598757893.db2.gz WOQJYLQUHKOQMC-STQMWFEESA-N -1 3 315.425 2.900 20 0 DFADHM Cc1nnc(N[C@H]2CCC[C@H](C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000737523371 598757895 /nfs/dbraw/zinc/75/78/95/598757895.db2.gz WOQJYLQUHKOQMC-STQMWFEESA-N -1 3 315.425 2.900 20 0 DFADHM CC(C)C[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735760999 598784861 /nfs/dbraw/zinc/78/48/61/598784861.db2.gz JSHQURDIMKDAEA-VXGBXAGGSA-N -1 3 318.377 2.612 20 0 DFADHM CC(C)C[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735760999 598784862 /nfs/dbraw/zinc/78/48/62/598784862.db2.gz JSHQURDIMKDAEA-VXGBXAGGSA-N -1 3 318.377 2.612 20 0 DFADHM CCn1c(C)cc2c1CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736720835 598787395 /nfs/dbraw/zinc/78/73/95/598787395.db2.gz XSCFBLBTSWUWDZ-AWEZNQCLSA-N -1 3 323.404 2.881 20 0 DFADHM CCn1c(C)cc2c1CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736720835 598787397 /nfs/dbraw/zinc/78/73/97/598787397.db2.gz XSCFBLBTSWUWDZ-AWEZNQCLSA-N -1 3 323.404 2.881 20 0 DFADHM CN(Cc1cscn1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736831698 598794056 /nfs/dbraw/zinc/79/40/56/598794056.db2.gz QUYNTVVCMMXTEU-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CN(Cc1cscn1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736831698 598794057 /nfs/dbraw/zinc/79/40/57/598794057.db2.gz QUYNTVVCMMXTEU-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CC(C)CCOCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735820217 598794320 /nfs/dbraw/zinc/79/43/20/598794320.db2.gz QLZMWAQMTHHRIB-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM CC(C)CCOCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735820217 598794321 /nfs/dbraw/zinc/79/43/21/598794321.db2.gz QLZMWAQMTHHRIB-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM Cc1ncc(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC000737491564 598794806 /nfs/dbraw/zinc/79/48/06/598794806.db2.gz LTMBMSYUUBIAPN-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ncc(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000737491564 598794807 /nfs/dbraw/zinc/79/48/07/598794807.db2.gz LTMBMSYUUBIAPN-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ncsc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737503545 598798110 /nfs/dbraw/zinc/79/81/10/598798110.db2.gz NMTSINUKDNNKBY-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ncsc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737503545 598798111 /nfs/dbraw/zinc/79/81/11/598798111.db2.gz NMTSINUKDNNKBY-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)C(C)C ZINC000736479072 598802421 /nfs/dbraw/zinc/80/24/21/598802421.db2.gz IILQFPGHWZYMNR-ZDUSSCGKSA-N -1 3 315.421 2.897 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)C(C)C ZINC000736479072 598802423 /nfs/dbraw/zinc/80/24/23/598802423.db2.gz IILQFPGHWZYMNR-ZDUSSCGKSA-N -1 3 315.421 2.897 20 0 DFADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)C(C)C ZINC000737026989 598803028 /nfs/dbraw/zinc/80/30/28/598803028.db2.gz WBXCKPWWIUKJPN-MRVPVSSYSA-N -1 3 324.768 2.726 20 0 DFADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)C(C)C ZINC000737026989 598803030 /nfs/dbraw/zinc/80/30/30/598803030.db2.gz WBXCKPWWIUKJPN-MRVPVSSYSA-N -1 3 324.768 2.726 20 0 DFADHM CCC(C)(CC)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736311980 598806394 /nfs/dbraw/zinc/80/63/94/598806394.db2.gz BZPWQXRGVLVKOV-UHFFFAOYSA-N -1 3 319.434 2.654 20 0 DFADHM CCC(C)(CC)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736311980 598806395 /nfs/dbraw/zinc/80/63/95/598806395.db2.gz BZPWQXRGVLVKOV-UHFFFAOYSA-N -1 3 319.434 2.654 20 0 DFADHM CC(C)n1cc([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000736135552 598815976 /nfs/dbraw/zinc/81/59/76/598815976.db2.gz BFKBRXGZFDTDQS-JTQLQIEISA-N -1 3 315.356 2.956 20 0 DFADHM CC(C)n1cc([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000736135552 598815977 /nfs/dbraw/zinc/81/59/77/598815977.db2.gz BFKBRXGZFDTDQS-JTQLQIEISA-N -1 3 315.356 2.956 20 0 DFADHM CC[C@H](Nc1ncccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736371550 598816698 /nfs/dbraw/zinc/81/66/98/598816698.db2.gz VXRAEPROIXZHLO-NSHDSACASA-N -1 3 320.360 2.701 20 0 DFADHM CC[C@H](Nc1ncccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736371550 598816696 /nfs/dbraw/zinc/81/66/96/598816696.db2.gz VXRAEPROIXZHLO-NSHDSACASA-N -1 3 320.360 2.701 20 0 DFADHM CC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736371548 598816761 /nfs/dbraw/zinc/81/67/61/598816761.db2.gz VXRAEPROIXZHLO-LLVKDONJSA-N -1 3 320.360 2.701 20 0 DFADHM CC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736371548 598816762 /nfs/dbraw/zinc/81/67/62/598816762.db2.gz VXRAEPROIXZHLO-LLVKDONJSA-N -1 3 320.360 2.701 20 0 DFADHM CC[C@@H](CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736330319 598818672 /nfs/dbraw/zinc/81/86/72/598818672.db2.gz CFMGDGZWJNWDIP-LBPRGKRZSA-N -1 3 301.394 2.902 20 0 DFADHM CC[C@@H](CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736330319 598818674 /nfs/dbraw/zinc/81/86/74/598818674.db2.gz CFMGDGZWJNWDIP-LBPRGKRZSA-N -1 3 301.394 2.902 20 0 DFADHM CN(C(=O)CCc1ccsc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736731741 599306985 /nfs/dbraw/zinc/30/69/85/599306985.db2.gz GNOWNIZJRSJCAX-UHFFFAOYSA-N -1 3 313.386 2.524 20 0 DFADHM CN(C(=O)CCc1ccsc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736731741 599306989 /nfs/dbraw/zinc/30/69/89/599306989.db2.gz GNOWNIZJRSJCAX-UHFFFAOYSA-N -1 3 313.386 2.524 20 0 DFADHM CN(C(=O)C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736731688 599307641 /nfs/dbraw/zinc/30/76/41/599307641.db2.gz FJEXJTRJTARRMR-KPKJPENVSA-N -1 3 305.341 2.543 20 0 DFADHM CN(C(=O)C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736731688 599307643 /nfs/dbraw/zinc/30/76/43/599307643.db2.gz FJEXJTRJTARRMR-KPKJPENVSA-N -1 3 305.341 2.543 20 0 DFADHM CCN(C(=O)CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506231 599310023 /nfs/dbraw/zinc/31/00/23/599310023.db2.gz YXKAYVXEMNBQCM-UHFFFAOYSA-N -1 3 321.384 2.852 20 0 DFADHM CCN(C(=O)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506231 599310025 /nfs/dbraw/zinc/31/00/25/599310025.db2.gz YXKAYVXEMNBQCM-UHFFFAOYSA-N -1 3 321.384 2.852 20 0 DFADHM CCN(C(=O)Cc1ccccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506199 599310483 /nfs/dbraw/zinc/31/04/83/599310483.db2.gz XVOQVWYIYXLYFV-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CCN(C(=O)Cc1ccccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506199 599310485 /nfs/dbraw/zinc/31/04/85/599310485.db2.gz XVOQVWYIYXLYFV-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM Cc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737360685 599325654 /nfs/dbraw/zinc/32/56/54/599325654.db2.gz AEAYLBSAIFYZCU-UHFFFAOYSA-N -1 3 309.373 2.974 20 0 DFADHM Cc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737360685 599325657 /nfs/dbraw/zinc/32/56/57/599325657.db2.gz AEAYLBSAIFYZCU-UHFFFAOYSA-N -1 3 309.373 2.974 20 0 DFADHM Cc1ccc(F)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737348422 599326285 /nfs/dbraw/zinc/32/62/85/599326285.db2.gz YJAIWEDTIYCXJR-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1ccc(F)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737348422 599326288 /nfs/dbraw/zinc/32/62/88/599326288.db2.gz YJAIWEDTIYCXJR-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM CC[C@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736327655 599328377 /nfs/dbraw/zinc/32/83/77/599328377.db2.gz RSOAWFNVSRWDHL-WDEREUQCSA-N -1 3 319.434 2.576 20 0 DFADHM CC[C@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736327655 599328379 /nfs/dbraw/zinc/32/83/79/599328379.db2.gz RSOAWFNVSRWDHL-WDEREUQCSA-N -1 3 319.434 2.576 20 0 DFADHM C[C@H](SCC(=O)NC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187964 599330444 /nfs/dbraw/zinc/33/04/44/599330444.db2.gz FBRTUEYBNYOFFA-JTQLQIEISA-N -1 3 319.434 2.576 20 0 DFADHM C[C@H](SCC(=O)NC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187964 599330446 /nfs/dbraw/zinc/33/04/46/599330446.db2.gz FBRTUEYBNYOFFA-JTQLQIEISA-N -1 3 319.434 2.576 20 0 DFADHM COC(=O)c1coc(CSc2ccccc2-c2nnn[n-]2)c1 ZINC000821671357 599347233 /nfs/dbraw/zinc/34/72/33/599347233.db2.gz SMFCQTDWAIQLMR-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM COC(=O)c1coc(CSc2ccccc2-c2nn[n-]n2)c1 ZINC000821671357 599347234 /nfs/dbraw/zinc/34/72/34/599347234.db2.gz SMFCQTDWAIQLMR-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM CC(C)[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000735748063 599349104 /nfs/dbraw/zinc/34/91/04/599349104.db2.gz HCBCCJPBWWEBIW-GFCCVEGCSA-N -1 3 306.801 2.930 20 0 DFADHM CC(C)[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000735748063 599349106 /nfs/dbraw/zinc/34/91/06/599349106.db2.gz HCBCCJPBWWEBIW-GFCCVEGCSA-N -1 3 306.801 2.930 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCCC(F)(F)F)n1 ZINC000822192974 599358139 /nfs/dbraw/zinc/35/81/39/599358139.db2.gz HMFPIHGBOXWMBP-UHFFFAOYSA-N -1 3 300.288 2.633 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(N2CCC3(C2)CCOCC3)c1 ZINC000822568413 599358124 /nfs/dbraw/zinc/35/81/24/599358124.db2.gz PVNIOEBFYCYNFA-UHFFFAOYSA-N -1 3 319.796 2.527 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(N2CCC3(C2)CCOCC3)c1 ZINC000822568413 599358126 /nfs/dbraw/zinc/35/81/26/599358126.db2.gz PVNIOEBFYCYNFA-UHFFFAOYSA-N -1 3 319.796 2.527 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCCC(F)(F)F)n1 ZINC000822192974 599358138 /nfs/dbraw/zinc/35/81/38/599358138.db2.gz HMFPIHGBOXWMBP-UHFFFAOYSA-N -1 3 300.288 2.633 20 0 DFADHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@H](c2ccco2)C1 ZINC000820726697 599359205 /nfs/dbraw/zinc/35/92/05/599359205.db2.gz AVPPJYGGXBJZQQ-YPMHNXCESA-N -1 3 310.361 2.832 20 0 DFADHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@H](c2ccco2)C1 ZINC000820726697 599359207 /nfs/dbraw/zinc/35/92/07/599359207.db2.gz AVPPJYGGXBJZQQ-YPMHNXCESA-N -1 3 310.361 2.832 20 0 DFADHM C[C@H]1CCN(c2ncccc2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000820727665 599359388 /nfs/dbraw/zinc/35/93/88/599359388.db2.gz NMLBTQDOLWNIOC-WCQYABFASA-N -1 3 310.361 2.832 20 0 DFADHM C[C@H]1CCN(c2ncccc2-c2nn[n-]n2)[C@@H](c2ccco2)C1 ZINC000820727665 599359392 /nfs/dbraw/zinc/35/93/92/599359392.db2.gz NMLBTQDOLWNIOC-WCQYABFASA-N -1 3 310.361 2.832 20 0 DFADHM C[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820727667 599359891 /nfs/dbraw/zinc/35/98/91/599359891.db2.gz NMLBTQDOLWNIOC-YPMHNXCESA-N -1 3 310.361 2.832 20 0 DFADHM C[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)[C@H](c2ccco2)C1 ZINC000820727667 599359892 /nfs/dbraw/zinc/35/98/92/599359892.db2.gz NMLBTQDOLWNIOC-YPMHNXCESA-N -1 3 310.361 2.832 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000736244540 599376271 /nfs/dbraw/zinc/37/62/71/599376271.db2.gz JXBGQGGIIXZBPO-UHIISALHSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736244540 599376273 /nfs/dbraw/zinc/37/62/73/599376273.db2.gz JXBGQGGIIXZBPO-UHIISALHSA-N -1 3 300.362 2.848 20 0 DFADHM CN(Cc1cccnc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736829257 599395215 /nfs/dbraw/zinc/39/52/15/599395215.db2.gz YZZRCXFGORFSOE-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1cccnc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736829257 599395218 /nfs/dbraw/zinc/39/52/18/599395218.db2.gz YZZRCXFGORFSOE-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(C(C)=O)cc1 ZINC000821749768 607375749 /nfs/dbraw/zinc/37/57/49/607375749.db2.gz XHRPDCNARUZTTA-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM CC[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820860796 599422295 /nfs/dbraw/zinc/42/22/95/599422295.db2.gz KQYXBODBTNRXKP-SDDRHHMPSA-N -1 3 316.409 2.662 20 0 DFADHM CC[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820860796 599422297 /nfs/dbraw/zinc/42/22/97/599422297.db2.gz KQYXBODBTNRXKP-SDDRHHMPSA-N -1 3 316.409 2.662 20 0 DFADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000820920121 599423303 /nfs/dbraw/zinc/42/33/03/599423303.db2.gz LGTMVHSPYHOPRP-FZMZJTMJSA-N -1 3 316.409 2.662 20 0 DFADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000820920121 599423306 /nfs/dbraw/zinc/42/33/06/599423306.db2.gz LGTMVHSPYHOPRP-FZMZJTMJSA-N -1 3 316.409 2.662 20 0 DFADHM CCCC[C@H](COC)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000736437756 599442603 /nfs/dbraw/zinc/44/26/03/599442603.db2.gz KUZVMPNWNLRPHF-SNVBAGLBSA-N -1 3 311.336 2.762 20 0 DFADHM CCCC[C@H](COC)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000736437756 599442605 /nfs/dbraw/zinc/44/26/05/599442605.db2.gz KUZVMPNWNLRPHF-SNVBAGLBSA-N -1 3 311.336 2.762 20 0 DFADHM CO[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821677007 599469291 /nfs/dbraw/zinc/46/92/91/599469291.db2.gz 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CCC[C@@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821014536 599680289 /nfs/dbraw/zinc/68/02/89/599680289.db2.gz IMTBLTBLTFYCKH-VXGBXAGGSA-N -1 3 316.409 2.758 20 0 DFADHM CC(C)C[C@H](CCO)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820055666 599686403 /nfs/dbraw/zinc/68/64/03/599686403.db2.gz JLQINEWXELHMGD-NSHDSACASA-N -1 3 323.828 2.977 20 0 DFADHM CC(C)C[C@H](CCO)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820055666 599686404 /nfs/dbraw/zinc/68/64/04/599686404.db2.gz JLQINEWXELHMGD-NSHDSACASA-N -1 3 323.828 2.977 20 0 DFADHM CO[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)C(C)(C)C ZINC000821677376 599687551 /nfs/dbraw/zinc/68/75/51/599687551.db2.gz VLFGCDFVCWMYIC-LBPRGKRZSA-N -1 3 309.801 2.993 20 0 DFADHM CO[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)C(C)(C)C ZINC000821677376 599687552 /nfs/dbraw/zinc/68/75/52/599687552.db2.gz VLFGCDFVCWMYIC-LBPRGKRZSA-N -1 3 309.801 2.993 20 0 DFADHM CC(C)(C)OC(=O)CCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000819928815 599688644 /nfs/dbraw/zinc/68/86/44/599688644.db2.gz 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602055843 /nfs/dbraw/zinc/05/58/43/602055843.db2.gz OTPOTZFVFGSVOA-UHFFFAOYSA-N -1 3 324.384 2.663 20 0 DFADHM COc1ccc(CSc2nc(C)c(C)o2)cc1-c1nnn[n-]1 ZINC000826207751 607542224 /nfs/dbraw/zinc/54/22/24/607542224.db2.gz BQQBBWGTUVNIJQ-UHFFFAOYSA-N -1 3 317.374 2.772 20 0 DFADHM COc1ccc(CSc2nc(C)c(C)o2)cc1-c1nn[n-]n1 ZINC000826207751 607542225 /nfs/dbraw/zinc/54/22/25/607542225.db2.gz BQQBBWGTUVNIJQ-UHFFFAOYSA-N -1 3 317.374 2.772 20 0 DFADHM O=C([O-])[C@@H](NCCOc1ncccc1Cl)c1ccccc1F ZINC000833164976 602130770 /nfs/dbraw/zinc/13/07/70/602130770.db2.gz DYZUHABHHGJWIB-ZDUSSCGKSA-N -1 3 324.739 2.668 20 0 DFADHM COc1ccc(CNc2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000826203915 607549241 /nfs/dbraw/zinc/54/92/41/607549241.db2.gz MDIMHQQOHVPBMM-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(CNc2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000826203915 607549242 /nfs/dbraw/zinc/54/92/42/607549242.db2.gz MDIMHQQOHVPBMM-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CN(CCC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830751796 602246188 /nfs/dbraw/zinc/24/61/88/602246188.db2.gz FNGBGCZRISNCNV-CQSZACIVSA-N -1 3 311.353 2.615 20 0 DFADHM O=C([O-])c1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)o1 ZINC000833313062 602250140 /nfs/dbraw/zinc/25/01/40/602250140.db2.gz NRQIFMVGGFDVKV-AAEUAGOBSA-N -1 3 305.330 2.659 20 0 DFADHM CCN(CCNCc1csc(Br)c1)C(=O)[O-] ZINC000739434466 602312087 /nfs/dbraw/zinc/31/20/87/602312087.db2.gz QELRLQWDCLRUEN-UHFFFAOYSA-N -1 3 307.213 2.600 20 0 DFADHM CC[C@H](SC)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825158809 607575173 /nfs/dbraw/zinc/57/51/73/607575173.db2.gz ASXCIPHERYQZLU-JTQLQIEISA-N -1 3 311.798 2.600 20 0 DFADHM CC[C@H](SC)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825158809 607575175 /nfs/dbraw/zinc/57/51/75/607575175.db2.gz ASXCIPHERYQZLU-JTQLQIEISA-N -1 3 311.798 2.600 20 0 DFADHM CC1=C(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CCC1 ZINC000824851964 607577612 /nfs/dbraw/zinc/57/76/12/607577612.db2.gz GPECOEAZCFLYRL-UHFFFAOYSA-N -1 3 323.400 2.858 20 0 DFADHM CC1=C(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CCC1 ZINC000824851964 607577613 /nfs/dbraw/zinc/57/76/13/607577613.db2.gz GPECOEAZCFLYRL-UHFFFAOYSA-N -1 3 323.400 2.858 20 0 DFADHM CC[C@H](SC)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000825159639 607577950 /nfs/dbraw/zinc/57/79/50/607577950.db2.gz RDVXWEMJWIBRIK-JTQLQIEISA-N -1 3 322.438 2.503 20 0 DFADHM CC[C@H](SC)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000825159639 607577952 /nfs/dbraw/zinc/57/79/52/607577952.db2.gz RDVXWEMJWIBRIK-JTQLQIEISA-N -1 3 322.438 2.503 20 0 DFADHM COc1cc(CN2CC[C@H](CNC(=O)[O-])C2)ccc1SC ZINC000739858584 602735607 /nfs/dbraw/zinc/73/56/07/602735607.db2.gz GDQHCZFUKWUETG-GFCCVEGCSA-N -1 3 310.419 2.507 20 0 DFADHM CC[C@@H](SC)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825159009 607588636 /nfs/dbraw/zinc/58/86/36/607588636.db2.gz HCAHGHIZMPZLCU-JOYOIKCWSA-N -1 3 306.391 2.613 20 0 DFADHM CC[C@@H](SC)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159009 607588637 /nfs/dbraw/zinc/58/86/37/607588637.db2.gz HCAHGHIZMPZLCU-JOYOIKCWSA-N -1 3 306.391 2.613 20 0 DFADHM CC1=CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000824857455 608051183 /nfs/dbraw/zinc/05/11/83/608051183.db2.gz BZUFKYWCIMSSNM-UHFFFAOYSA-N -1 3 320.194 2.786 20 0 DFADHM CN(Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828356370 603484613 /nfs/dbraw/zinc/48/46/13/603484613.db2.gz YWBVCRGOKPGYMJ-GFCCVEGCSA-N -1 3 302.296 2.890 20 0 DFADHM CC(C)CC(=O)Nc1cccc(CN[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000824170507 603496881 /nfs/dbraw/zinc/49/68/81/603496881.db2.gz OXVZHAYNDNPXKA-OAHLLOKOSA-N -1 3 319.405 2.513 20 0 DFADHM CCN(CC1CCN(Cc2cccc(OC)c2)CC1)C(=O)[O-] ZINC000827100275 603513873 /nfs/dbraw/zinc/51/38/73/603513873.db2.gz VVWUDDJZQSJSIK-UHFFFAOYSA-N -1 3 306.406 2.907 20 0 DFADHM C[C@@H](CN(C)C(=O)[O-])c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000824896529 603636624 /nfs/dbraw/zinc/63/66/24/603636624.db2.gz VLTUAJGOOPEDTP-NSHDSACASA-N -1 3 318.377 2.512 20 0 DFADHM CC(C)CN(Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824261491 607643729 /nfs/dbraw/zinc/64/37/29/607643729.db2.gz LSPLDBFHTAUBAN-UHFFFAOYSA-N -1 3 308.389 2.924 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(F)c(F)c1 ZINC000826250102 607646499 /nfs/dbraw/zinc/64/64/99/607646499.db2.gz KZBCUNKKQGNPTO-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(F)c(F)c1 ZINC000826250102 607646501 /nfs/dbraw/zinc/64/65/01/607646501.db2.gz KZBCUNKKQGNPTO-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM CN(CCOc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000825946108 607647540 /nfs/dbraw/zinc/64/75/40/607647540.db2.gz JBXLSSXQWPJIAK-UHFFFAOYSA-N -1 3 313.336 2.521 20 0 DFADHM CN(CCOc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000825946108 607647542 /nfs/dbraw/zinc/64/75/42/607647542.db2.gz JBXLSSXQWPJIAK-UHFFFAOYSA-N -1 3 313.336 2.521 20 0 DFADHM O=C([O-])N1CCc2cccc(CNCCOc3ccccc3)c21 ZINC000832086939 603847664 /nfs/dbraw/zinc/84/76/64/603847664.db2.gz KSUONGYMXSDGPA-UHFFFAOYSA-N -1 3 312.369 2.896 20 0 DFADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC000825422422 603864710 /nfs/dbraw/zinc/86/47/10/603864710.db2.gz IFGVOHXLUXLCQU-XQQFMLRXSA-N -1 3 319.405 2.827 20 0 DFADHM CC(C)(C)c1nn(-c2ccccc2)cc1CNCCNC(=O)[O-] ZINC000823870354 604048726 /nfs/dbraw/zinc/04/87/26/604048726.db2.gz VSUFHCVCZLVOHK-UHFFFAOYSA-N -1 3 316.405 2.527 20 0 DFADHM Cc1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826289880 607680806 /nfs/dbraw/zinc/68/08/06/607680806.db2.gz QHBHXWVOTUODTJ-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM Cc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826289880 607680808 /nfs/dbraw/zinc/68/08/08/607680808.db2.gz QHBHXWVOTUODTJ-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM O=C([O-])N1CCC[C@H](N[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000833278648 604288316 /nfs/dbraw/zinc/28/83/16/604288316.db2.gz FIXAKOJXJMYMMO-JSGCOSHPSA-N -1 3 308.353 2.771 20 0 DFADHM O=C([O-])N1CC[C@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000831947746 604318514 /nfs/dbraw/zinc/31/85/14/604318514.db2.gz LDVHBCCQUAFIDG-GXTWGEPZSA-N -1 3 302.374 2.775 20 0 DFADHM C[C@@H](N[C@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1OC(F)F ZINC000825480259 604319380 /nfs/dbraw/zinc/31/93/80/604319380.db2.gz VHGDALKMMHPLKW-SCZZXKLOSA-N -1 3 318.295 2.830 20 0 DFADHM Cc1nc2ccccn2c1CN(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000830793260 604321272 /nfs/dbraw/zinc/32/12/72/604321272.db2.gz OQMITKTVIGPLJD-CQSZACIVSA-N -1 3 318.421 2.757 20 0 DFADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cnn(-c2ccccc2)c1 ZINC000825480444 604327353 /nfs/dbraw/zinc/32/73/53/604327353.db2.gz YGBLCRJCZJLBNT-DZGCQCFKSA-N -1 3 314.389 2.665 20 0 DFADHM CCOc1ccc2c(c1)[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)CCO2 ZINC000827445155 604327890 /nfs/dbraw/zinc/32/78/90/604327890.db2.gz VTZBGFSDJOACRA-IUODEOHRSA-N -1 3 320.389 2.641 20 0 DFADHM C[C@H]1CN(CCOc2cccc(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000826058515 604348488 /nfs/dbraw/zinc/34/84/88/604348488.db2.gz PDBQEYXVOVLNRE-SMDDNHRTSA-N -1 3 312.797 2.697 20 0 DFADHM Cc1ncc([C@@H](C)NC[C@H](NC(=O)[O-])c2ccccc2)c(C)n1 ZINC000830804867 604378992 /nfs/dbraw/zinc/37/89/92/604378992.db2.gz OBZUOKHWSPSOBL-BZNIZROVSA-N -1 3 314.389 2.753 20 0 DFADHM C[C@@H](NC[C@@H](NC(=O)[O-])c1ccccc1)c1cncc(F)c1 ZINC000825485311 604379586 /nfs/dbraw/zinc/37/95/86/604379586.db2.gz OEPXQAKGKCBXOM-IAQYHMDHSA-N -1 3 303.337 2.880 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000826246962 607689465 /nfs/dbraw/zinc/68/94/65/607689465.db2.gz PZDYTXOFYGBMHS-IXPVHAAZSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000826246962 607689467 /nfs/dbraw/zinc/68/94/67/607689467.db2.gz PZDYTXOFYGBMHS-IXPVHAAZSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000826247106 607692212 /nfs/dbraw/zinc/69/22/12/607692212.db2.gz UAWVCHTZHQDVLL-HBYGRHMLSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000826247106 607692213 /nfs/dbraw/zinc/69/22/13/607692213.db2.gz UAWVCHTZHQDVLL-HBYGRHMLSA-N -1 3 313.405 2.730 20 0 DFADHM CCCN(CC(=O)[O-])Cc1ccc(OC)c(OC)c1Cl ZINC000086776099 604472194 /nfs/dbraw/zinc/47/21/94/604472194.db2.gz PFKLBTOPQYJCFU-UHFFFAOYSA-N -1 3 301.770 2.654 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000826246441 607694542 /nfs/dbraw/zinc/69/45/42/607694542.db2.gz DETGVVDGPIECJX-QWRGUYRKSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000826246441 607694544 /nfs/dbraw/zinc/69/45/44/607694544.db2.gz DETGVVDGPIECJX-QWRGUYRKSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC(C)(C)CC1 ZINC000826244773 607695751 /nfs/dbraw/zinc/69/57/51/607695751.db2.gz CTWTZFOQGSZFFX-UHFFFAOYSA-N -1 3 313.405 2.827 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC(C)(C)CC1 ZINC000826244773 607695754 /nfs/dbraw/zinc/69/57/54/607695754.db2.gz CTWTZFOQGSZFFX-UHFFFAOYSA-N -1 3 313.405 2.827 20 0 DFADHM C[C@H](Oc1ccc(CN(C)C[C@H]2CCCCO2)cc1)C(=O)[O-] ZINC000833536246 604607596 /nfs/dbraw/zinc/60/75/96/604607596.db2.gz ABBQMSJDDBHMJQ-XJKSGUPXSA-N -1 3 307.390 2.539 20 0 DFADHM O=C([O-])c1cc(CN2CCCO[C@H](c3ccccc3)C2)c[nH]1 ZINC000833779994 604632030 /nfs/dbraw/zinc/63/20/30/604632030.db2.gz QBIWQRBAFTYIBL-INIZCTEOSA-N -1 3 300.358 2.677 20 0 DFADHM CCCCC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000825266431 607706905 /nfs/dbraw/zinc/70/69/05/607706905.db2.gz GASSLPVRTIEHQE-UHFFFAOYSA-N -1 3 316.409 2.674 20 0 DFADHM CCCCC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000825266431 607706907 /nfs/dbraw/zinc/70/69/07/607706907.db2.gz GASSLPVRTIEHQE-UHFFFAOYSA-N -1 3 316.409 2.674 20 0 DFADHM O=C([O-])CC1(NCc2csc(-c3ccoc3)n2)CCOCC1 ZINC000833205827 604791814 /nfs/dbraw/zinc/79/18/14/604791814.db2.gz OBRWYHHYKMXSDZ-UHFFFAOYSA-N -1 3 322.386 2.517 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN(Cc2cccc(F)c2)C2CC2)O1 ZINC000833583756 604826087 /nfs/dbraw/zinc/82/60/87/604826087.db2.gz KVNUVRBXRNAYLR-OAHLLOKOSA-N -1 3 305.349 2.938 20 0 DFADHM C[C@H](NCCNC(=O)[O-])c1ccc(F)c(Br)c1 ZINC000825496210 604909418 /nfs/dbraw/zinc/90/94/18/604909418.db2.gz NNRBJEBOHMILLN-ZETCQYMHSA-N -1 3 305.147 2.506 20 0 DFADHM C[C@H](C(=O)Nc1ccccc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833408093 604933792 /nfs/dbraw/zinc/93/37/92/604933792.db2.gz GICWGPRPUDTVAC-KGLIPLIRSA-N -1 3 318.417 2.836 20 0 DFADHM C[C@@H](NCCN(C)C(=O)[O-])c1ccc(Br)s1 ZINC000825497183 604952246 /nfs/dbraw/zinc/95/22/46/604952246.db2.gz ZLFTXGFRNAHKEL-SSDOTTSWSA-N -1 3 307.213 2.771 20 0 DFADHM CCN(CCN[C@@H](C)c1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000827150388 604955455 /nfs/dbraw/zinc/95/54/55/604955455.db2.gz FFZFGGHLVHLWSX-ZDUSSCGKSA-N -1 3 302.378 2.523 20 0 DFADHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1OC ZINC000832226589 604993252 /nfs/dbraw/zinc/99/32/52/604993252.db2.gz PONKYUSVDQXCRI-BZNIZROVSA-N -1 3 316.357 2.575 20 0 DFADHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(-n2cccn2)cc1 ZINC000827717040 605005611 /nfs/dbraw/zinc/00/56/11/605005611.db2.gz DENNWSOZWDMXLA-SUMWQHHRSA-N -1 3 322.368 2.744 20 0 DFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000833545925 605043392 /nfs/dbraw/zinc/04/33/92/605043392.db2.gz CFSHPDOZSKPUOY-DGCLKSJQSA-N -1 3 302.330 2.587 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1NCC1(C2CC2)CCC1 ZINC000826350777 607731980 /nfs/dbraw/zinc/73/19/80/607731980.db2.gz KULUMARCYOTAMX-UHFFFAOYSA-N -1 3 304.785 2.907 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1NCC1(C2CC2)CCC1 ZINC000826350777 607731981 /nfs/dbraw/zinc/73/19/81/607731981.db2.gz KULUMARCYOTAMX-UHFFFAOYSA-N -1 3 304.785 2.907 20 0 DFADHM CC(C)Oc1cccc([C@@H](O)CNCc2ccoc2C(=O)[O-])c1 ZINC000833506963 605092789 /nfs/dbraw/zinc/09/27/89/605092789.db2.gz OKVMPNACXPHHES-HNNXBMFYSA-N -1 3 319.357 2.588 20 0 DFADHM C[C@H](O)[C@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000833529937 605134240 /nfs/dbraw/zinc/13/42/40/605134240.db2.gz TYYOMSWTSVBCHS-RVBZMBCESA-N -1 3 318.200 2.822 20 0 DFADHM c1cc(N2CCC(C3CCOCC3)CC2)ccc1-c1nn[n-]n1 ZINC000826516414 607739254 /nfs/dbraw/zinc/73/92/54/607739254.db2.gz JXRQSXIXGFQOKL-UHFFFAOYSA-N -1 3 313.405 2.510 20 0 DFADHM CC(C)(O)CN(Cc1ccoc1C(=O)[O-])Cc1ccccc1 ZINC000833464283 605253776 /nfs/dbraw/zinc/25/37/76/605253776.db2.gz XCEUGKHFEVORNV-UHFFFAOYSA-N -1 3 303.358 2.751 20 0 DFADHM CCc1ccc([C@H](C)NCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)cc1 ZINC000833668771 605291986 /nfs/dbraw/zinc/29/19/86/605291986.db2.gz CGMLMLBZAHLFQA-IGCXYCKISA-N -1 3 320.433 2.515 20 0 DFADHM CCCCCC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825265843 607749428 /nfs/dbraw/zinc/74/94/28/607749428.db2.gz BLDJXLOXOLMIDS-UHFFFAOYSA-N -1 3 304.398 2.531 20 0 DFADHM CCCCCC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825265843 607749429 /nfs/dbraw/zinc/74/94/29/607749429.db2.gz BLDJXLOXOLMIDS-UHFFFAOYSA-N -1 3 304.398 2.531 20 0 DFADHM C[C@]1(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)CCOC1 ZINC000833566233 605358300 /nfs/dbraw/zinc/35/83/00/605358300.db2.gz SOTHYJTVHVWZKZ-TZMCWYRMSA-N -1 3 301.745 2.621 20 0 DFADHM CC(C)(C)[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000833427269 605426450 /nfs/dbraw/zinc/42/64/50/605426450.db2.gz ZHZRPVCTFAYYLM-ZDUSSCGKSA-N -1 3 304.390 2.691 20 0 DFADHM CC(C)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824229168 607756504 /nfs/dbraw/zinc/75/65/04/607756504.db2.gz OSGLWJOSYUOAEP-VXGBXAGGSA-N -1 3 316.409 2.662 20 0 DFADHM CC(C)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824229168 607756505 /nfs/dbraw/zinc/75/65/05/607756505.db2.gz OSGLWJOSYUOAEP-VXGBXAGGSA-N -1 3 316.409 2.662 20 0 DFADHM CC(C)C[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824228827 607758304 /nfs/dbraw/zinc/75/83/04/607758304.db2.gz LYOOBUCXNJHCMK-RYUDHWBXSA-N -1 3 316.409 2.662 20 0 DFADHM CC(C)C[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824228827 607758305 /nfs/dbraw/zinc/75/83/05/607758305.db2.gz LYOOBUCXNJHCMK-RYUDHWBXSA-N -1 3 316.409 2.662 20 0 DFADHM CCO[C@@H]1CCCN(Cc2cccc3c2N(C(=O)[O-])CC3)C1 ZINC000827390025 605494832 /nfs/dbraw/zinc/49/48/32/605494832.db2.gz XNCGYOWDUIEMHI-OAHLLOKOSA-N -1 3 304.390 2.728 20 0 DFADHM O=C([O-])NC[C@H]1CCCN(Cc2ccccc2OCC2CC2)C1 ZINC000834215821 605554141 /nfs/dbraw/zinc/55/41/41/605554141.db2.gz OOYJNBDHDLLPEY-OAHLLOKOSA-N -1 3 318.417 2.955 20 0 DFADHM O=C([O-])N[C@H]1CCN(Cc2ccccc2N2CCCCC2)C1 ZINC000834188752 605568136 /nfs/dbraw/zinc/56/81/36/605568136.db2.gz BTTQEQOEEBIGIB-HNNXBMFYSA-N -1 3 303.406 2.519 20 0 DFADHM O=C([O-])NC[C@H]1CCN(Cc2ccccc2OCC2CC2)C1 ZINC000834225937 605577506 /nfs/dbraw/zinc/57/75/06/605577506.db2.gz PTIOPAQLXCFQJM-CQSZACIVSA-N -1 3 304.390 2.565 20 0 DFADHM Cn1cc([C@@H]2CCCN2Cc2cccc(NC(=O)[O-])c2)cn1 ZINC000833948676 605595313 /nfs/dbraw/zinc/59/53/13/605595313.db2.gz ZHFFBMGUGNYYFN-HNNXBMFYSA-N -1 3 300.362 2.847 20 0 DFADHM CCOc1cc(CN2CC[C@H](NC(=O)[O-])C[C@@H]2C)ccc1OC ZINC000833861005 605680924 /nfs/dbraw/zinc/68/09/24/605680924.db2.gz DPNLHJXGKHNSJY-JSGCOSHPSA-N -1 3 322.405 2.714 20 0 DFADHM C[C@H](O)[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000833527708 605698538 /nfs/dbraw/zinc/69/85/38/605698538.db2.gz 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/nfs/dbraw/zinc/04/58/51/606045851.db2.gz NYVHEZDTPBRJQM-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(Cl)cc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000821828028 606045857 /nfs/dbraw/zinc/04/58/57/606045857.db2.gz NYVHEZDTPBRJQM-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821849821 606063988 /nfs/dbraw/zinc/06/39/88/606063988.db2.gz RRSSMUNQSYUIJB-HNNXBMFYSA-N -1 3 322.372 2.760 20 0 DFADHM COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821849821 606063994 /nfs/dbraw/zinc/06/39/94/606063994.db2.gz RRSSMUNQSYUIJB-HNNXBMFYSA-N -1 3 322.372 2.760 20 0 DFADHM COc1cc(Cl)ccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000821720741 606079557 /nfs/dbraw/zinc/07/95/57/606079557.db2.gz WYQQILHBPHCZNL-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1cc(Cl)ccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000821720741 606079558 /nfs/dbraw/zinc/07/95/58/606079558.db2.gz WYQQILHBPHCZNL-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CCCCO[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1(C)C 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321.384 2.789 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCC1(C)C ZINC000822218015 606152405 /nfs/dbraw/zinc/15/24/05/606152405.db2.gz VNIIYYOJTXEDPX-ZDUSSCGKSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCC1(C)C ZINC000822218015 606152407 /nfs/dbraw/zinc/15/24/07/606152407.db2.gz VNIIYYOJTXEDPX-ZDUSSCGKSA-N -1 3 314.393 2.875 20 0 DFADHM CC1(C)CCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820590025 606153053 /nfs/dbraw/zinc/15/30/53/606153053.db2.gz OZIKUHHLYMAKPL-GFCCVEGCSA-N -1 3 318.356 2.706 20 0 DFADHM CC1(C)CCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820590025 606153054 /nfs/dbraw/zinc/15/30/54/606153054.db2.gz OZIKUHHLYMAKPL-GFCCVEGCSA-N -1 3 318.356 2.706 20 0 DFADHM O=[S@](Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCc2ccccc21 ZINC000823606765 606156164 /nfs/dbraw/zinc/15/61/64/606156164.db2.gz LSWINRYSJRLHDA-QMHKHESXSA-N -1 3 324.409 2.803 20 0 DFADHM O=[S@](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2ccccc21 ZINC000823606765 606156166 /nfs/dbraw/zinc/15/61/66/606156166.db2.gz LSWINRYSJRLHDA-QMHKHESXSA-N -1 3 324.409 2.803 20 0 DFADHM COC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc(C)o1 ZINC000821684323 606174335 /nfs/dbraw/zinc/17/43/35/606174335.db2.gz YDBGBQVHFNFDEP-GFCCVEGCSA-N -1 3 317.324 2.707 20 0 DFADHM COC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc(C)o1 ZINC000821684323 606174336 /nfs/dbraw/zinc/17/43/36/606174336.db2.gz YDBGBQVHFNFDEP-GFCCVEGCSA-N -1 3 317.324 2.707 20 0 DFADHM CC(C)[C@@H](C)N(C(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820017214 606181929 /nfs/dbraw/zinc/18/19/29/606181929.db2.gz UMGPBUDOTZEZON-LLVKDONJSA-N -1 3 314.393 2.908 20 0 DFADHM CC(C)[C@@H](C)N(C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820017214 606181930 /nfs/dbraw/zinc/18/19/30/606181930.db2.gz UMGPBUDOTZEZON-LLVKDONJSA-N -1 3 314.393 2.908 20 0 DFADHM CC(C)(NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)c(F)c1 ZINC000819987985 606204984 /nfs/dbraw/zinc/20/49/84/606204984.db2.gz PLQCPMBBRGLCEP-UHFFFAOYSA-N -1 3 319.315 2.763 20 0 DFADHM CC(C)(NCc1ccc(-c2nn[n-]n2)o1)c1ccc(F)c(F)c1 ZINC000819987985 606204986 /nfs/dbraw/zinc/20/49/86/606204986.db2.gz PLQCPMBBRGLCEP-UHFFFAOYSA-N -1 3 319.315 2.763 20 0 DFADHM CCc1nc([C@H](C)NCc2cc(-c3nnn[n-]3)cs2)cs1 ZINC000821504448 606218089 /nfs/dbraw/zinc/21/80/89/606218089.db2.gz DOVHQEQXVKJXHA-QMMMGPOBSA-N -1 3 320.447 2.798 20 0 DFADHM CCc1nc([C@H](C)NCc2cc(-c3nn[n-]n3)cs2)cs1 ZINC000821504448 606218091 /nfs/dbraw/zinc/21/80/91/606218091.db2.gz DOVHQEQXVKJXHA-QMMMGPOBSA-N -1 3 320.447 2.798 20 0 DFADHM COC[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C)o1 ZINC000821683541 606222862 /nfs/dbraw/zinc/22/28/62/606222862.db2.gz CZVSVKCFYAKVFF-ZDUSSCGKSA-N -1 3 317.324 2.707 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)CCN1c1ncccc1-c1nnn[n-]1 ZINC000820643124 606232480 /nfs/dbraw/zinc/23/24/80/606232480.db2.gz QIHLGZWSJSXCRV-JSGCOSHPSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)CCN1c1ncccc1-c1nn[n-]n1 ZINC000820643124 606232481 /nfs/dbraw/zinc/23/24/81/606232481.db2.gz QIHLGZWSJSXCRV-JSGCOSHPSA-N -1 3 306.373 2.644 20 0 DFADHM Cc1ccc([C@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(C)c1 ZINC000822229193 606254659 /nfs/dbraw/zinc/25/46/59/606254659.db2.gz OSKONYWOAWMAJT-LBPRGKRZSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1ccc([C@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(C)c1 ZINC000822229193 606254660 /nfs/dbraw/zinc/25/46/60/606254660.db2.gz OSKONYWOAWMAJT-LBPRGKRZSA-N -1 3 324.388 2.645 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CC12CCCC2 ZINC000823337126 606263578 /nfs/dbraw/zinc/26/35/78/606263578.db2.gz HGPAPDJLKIEQOC-LLVKDONJSA-N -1 3 301.325 2.525 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CC12CCCC2 ZINC000823337126 606263579 /nfs/dbraw/zinc/26/35/79/606263579.db2.gz HGPAPDJLKIEQOC-LLVKDONJSA-N -1 3 301.325 2.525 20 0 DFADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820072867 606269460 /nfs/dbraw/zinc/26/94/60/606269460.db2.gz MFEBIDXWEQYPRD-YPMHNXCESA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820072867 606269462 /nfs/dbraw/zinc/26/94/62/606269462.db2.gz MFEBIDXWEQYPRD-YPMHNXCESA-N -1 3 316.409 2.530 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820869487 606300598 /nfs/dbraw/zinc/30/05/98/606300598.db2.gz HFCISAKUTPZWHK-ZDUSSCGKSA-N -1 3 315.421 2.694 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820869487 606300600 /nfs/dbraw/zinc/30/06/00/606300600.db2.gz HFCISAKUTPZWHK-ZDUSSCGKSA-N -1 3 315.421 2.694 20 0 DFADHM C[C@H](c1ccccc1)N(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC000820562807 606315954 /nfs/dbraw/zinc/31/59/54/606315954.db2.gz JACMLENDZALHFD-LLVKDONJSA-N -1 3 322.372 2.561 20 0 DFADHM C[C@H](c1ccccc1)N(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC000820562807 606315955 /nfs/dbraw/zinc/31/59/55/606315955.db2.gz JACMLENDZALHFD-LLVKDONJSA-N -1 3 322.372 2.561 20 0 DFADHM CCCCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCCC1 ZINC000821061095 606317942 /nfs/dbraw/zinc/31/79/42/606317942.db2.gz MONUAEKQQPEEBS-UHFFFAOYSA-N -1 3 316.409 2.770 20 0 DFADHM CCCCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCCC1 ZINC000821061095 606317943 /nfs/dbraw/zinc/31/79/43/606317943.db2.gz MONUAEKQQPEEBS-UHFFFAOYSA-N -1 3 316.409 2.770 20 0 DFADHM CCC(CC)N(CC(C)C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820897790 606324511 /nfs/dbraw/zinc/32/45/11/606324511.db2.gz NWJKSOCHYXELLJ-UHFFFAOYSA-N -1 3 316.409 2.549 20 0 DFADHM CCC(CC)N(CC(C)C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820897790 606324513 /nfs/dbraw/zinc/32/45/13/606324513.db2.gz NWJKSOCHYXELLJ-UHFFFAOYSA-N -1 3 316.409 2.549 20 0 DFADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000823070627 606326369 /nfs/dbraw/zinc/32/63/69/606326369.db2.gz HVSXEKFHQUTUEU-UHFFFAOYSA-N -1 3 314.345 2.981 20 0 DFADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000823070627 606326371 /nfs/dbraw/zinc/32/63/71/606326371.db2.gz HVSXEKFHQUTUEU-UHFFFAOYSA-N -1 3 314.345 2.981 20 0 DFADHM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820861413 606353942 /nfs/dbraw/zinc/35/39/42/606353942.db2.gz MRTQCYDYLAFRNO-BDAKNGLRSA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820861413 606353944 /nfs/dbraw/zinc/35/39/44/606353944.db2.gz MRTQCYDYLAFRNO-BDAKNGLRSA-N -1 3 306.345 2.562 20 0 DFADHM Cc1cccc2ncnc(Oc3ccccc3-c3nnn[n-]3)c12 ZINC000822341042 606399749 /nfs/dbraw/zinc/39/97/49/606399749.db2.gz RWABSHYPERQTAG-UHFFFAOYSA-N -1 3 304.313 2.911 20 0 DFADHM Cc1cccc2ncnc(Oc3ccccc3-c3nn[n-]n3)c12 ZINC000822341042 606399750 /nfs/dbraw/zinc/39/97/50/606399750.db2.gz RWABSHYPERQTAG-UHFFFAOYSA-N -1 3 304.313 2.911 20 0 DFADHM CCS[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000821455593 606400890 /nfs/dbraw/zinc/40/08/90/606400890.db2.gz KSKJWNVPUUFUQD-NWDGAFQWSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000821455593 606400892 /nfs/dbraw/zinc/40/08/92/606400892.db2.gz KSKJWNVPUUFUQD-NWDGAFQWSA-N -1 3 304.423 2.738 20 0 DFADHM CCC[C@H]1C[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821040912 606420142 /nfs/dbraw/zinc/42/01/42/606420142.db2.gz VDNWIIBDGKEZGJ-IONNQARKSA-N -1 3 312.299 2.881 20 0 DFADHM CCC[C@H]1C[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821040912 606420143 /nfs/dbraw/zinc/42/01/43/606420143.db2.gz VDNWIIBDGKEZGJ-IONNQARKSA-N -1 3 312.299 2.881 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](C)[C@H]1C ZINC000822331298 606425224 /nfs/dbraw/zinc/42/52/24/606425224.db2.gz CEIHKDIPIICPGY-CMPLNLGQSA-N -1 3 308.389 2.958 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](C)[C@H]1C ZINC000822331298 606425226 /nfs/dbraw/zinc/42/52/26/606425226.db2.gz CEIHKDIPIICPGY-CMPLNLGQSA-N -1 3 308.389 2.958 20 0 DFADHM Cc1ccsc1[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000822379785 606426115 /nfs/dbraw/zinc/42/61/15/606426115.db2.gz UHQNYSQDNPOXOX-LLVKDONJSA-N -1 3 319.365 2.521 20 0 DFADHM Cc1ccsc1[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000822379785 606426117 /nfs/dbraw/zinc/42/61/17/606426117.db2.gz UHQNYSQDNPOXOX-LLVKDONJSA-N -1 3 319.365 2.521 20 0 DFADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820685370 606427659 /nfs/dbraw/zinc/42/76/59/606427659.db2.gz UENCJKVDISWBIU-UWVGGRQHSA-N -1 3 318.356 2.658 20 0 DFADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820685370 606427661 /nfs/dbraw/zinc/42/76/61/606427661.db2.gz UENCJKVDISWBIU-UWVGGRQHSA-N -1 3 318.356 2.658 20 0 DFADHM CCc1ccc(CC)c(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821481729 606459633 /nfs/dbraw/zinc/45/96/33/606459633.db2.gz MRHTUMVGBQKLOG-UHFFFAOYSA-N -1 3 324.388 2.582 20 0 DFADHM CCc1ccc(CC)c(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821481729 606459634 /nfs/dbraw/zinc/45/96/34/606459634.db2.gz MRHTUMVGBQKLOG-UHFFFAOYSA-N -1 3 324.388 2.582 20 0 DFADHM Cc1ccc(C)c(OC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822232289 606461728 /nfs/dbraw/zinc/46/17/28/606461728.db2.gz ZSSQICVQPBRPKR-UHFFFAOYSA-N -1 3 300.343 2.764 20 0 DFADHM Cc1ccc(C)c(OC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822232289 606461729 /nfs/dbraw/zinc/46/17/29/606461729.db2.gz ZSSQICVQPBRPKR-UHFFFAOYSA-N -1 3 300.343 2.764 20 0 DFADHM CN(CCc1ccncc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821607525 606462970 /nfs/dbraw/zinc/46/29/70/606462970.db2.gz SEZWPHXVYZSXSS-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM CN(CCc1ccncc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821607525 606462972 /nfs/dbraw/zinc/46/29/72/606462972.db2.gz SEZWPHXVYZSXSS-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM C[C@@H]1CO[C@@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)cc1 ZINC000820804490 606474869 /nfs/dbraw/zinc/47/48/69/606474869.db2.gz TURHZNLMYXHXDU-CXAGYDPISA-N -1 3 321.384 2.833 20 0 DFADHM CCOc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821422153 606474930 /nfs/dbraw/zinc/47/49/30/606474930.db2.gz PVIPKSKMQXRRLQ-UHFFFAOYSA-N -1 3 315.358 2.579 20 0 DFADHM CCOc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821422153 606474932 /nfs/dbraw/zinc/47/49/32/606474932.db2.gz PVIPKSKMQXRRLQ-UHFFFAOYSA-N -1 3 315.358 2.579 20 0 DFADHM O=C(NC1CCCCCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823151306 606477247 /nfs/dbraw/zinc/47/72/47/606477247.db2.gz ZERZKMPZUOHFPX-UHFFFAOYSA-N -1 3 305.407 2.771 20 0 DFADHM O=C(NC1CCCCCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823151306 606477249 /nfs/dbraw/zinc/47/72/49/606477249.db2.gz ZERZKMPZUOHFPX-UHFFFAOYSA-N -1 3 305.407 2.771 20 0 DFADHM C[C@@H](N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C1(C)CC1 ZINC000820306684 606481322 /nfs/dbraw/zinc/48/13/22/606481322.db2.gz CBDSSGOEFSETJT-SNVBAGLBSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H](N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1(C)CC1 ZINC000820306684 606481323 /nfs/dbraw/zinc/48/13/23/606481323.db2.gz CBDSSGOEFSETJT-SNVBAGLBSA-N -1 3 300.366 2.519 20 0 DFADHM Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822248959 606486149 /nfs/dbraw/zinc/48/61/49/606486149.db2.gz WDAJYNAGVFFTSS-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822248959 606486150 /nfs/dbraw/zinc/48/61/50/606486150.db2.gz WDAJYNAGVFFTSS-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM CC(C)CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CC1 ZINC000820073324 606490063 /nfs/dbraw/zinc/49/00/63/606490063.db2.gz RQPMXYXRRVJEJX-UHFFFAOYSA-N -1 3 305.407 2.579 20 0 DFADHM CC(C)CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)C1CC1 ZINC000820073324 606490065 /nfs/dbraw/zinc/49/00/65/606490065.db2.gz RQPMXYXRRVJEJX-UHFFFAOYSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820697900 606490764 /nfs/dbraw/zinc/49/07/64/606490764.db2.gz NRCKWGOMUULMPF-MWLCHTKSSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820697900 606490765 /nfs/dbraw/zinc/49/07/65/606490765.db2.gz NRCKWGOMUULMPF-MWLCHTKSSA-N -1 3 305.407 2.579 20 0 DFADHM CC[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820979394 606493299 /nfs/dbraw/zinc/49/32/99/606493299.db2.gz HRMPUYDUELNGFL-GXSJLCMTSA-N -1 3 305.407 2.627 20 0 DFADHM CC[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820979394 606493300 /nfs/dbraw/zinc/49/33/00/606493300.db2.gz HRMPUYDUELNGFL-GXSJLCMTSA-N -1 3 305.407 2.627 20 0 DFADHM CCc1nc(NC(=O)c2cc(-c3nn[n-]n3)cs2)sc1C ZINC000821509676 606494353 /nfs/dbraw/zinc/49/43/53/606494353.db2.gz LASYUJJPSKAFSQ-UHFFFAOYSA-N -1 3 320.403 2.508 20 0 DFADHM CCc1nc(NC(=O)c2cc(-c3nnn[n-]3)cs2)sc1C ZINC000821509676 606494351 /nfs/dbraw/zinc/49/43/51/606494351.db2.gz LASYUJJPSKAFSQ-UHFFFAOYSA-N -1 3 320.403 2.508 20 0 DFADHM Cc1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000822229429 606498127 /nfs/dbraw/zinc/49/81/27/606498127.db2.gz UQRSETBVAVXFDI-QMMMGPOBSA-N -1 3 319.415 2.789 20 0 DFADHM Cc1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)s1 ZINC000822229429 606498128 /nfs/dbraw/zinc/49/81/28/606498128.db2.gz UQRSETBVAVXFDI-QMMMGPOBSA-N -1 3 319.415 2.789 20 0 DFADHM Cc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822228708 606503893 /nfs/dbraw/zinc/50/38/93/606503893.db2.gz CXIHUXPQNWNXIT-CYBMUJFWSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822228708 606503895 /nfs/dbraw/zinc/50/38/95/606503895.db2.gz CXIHUXPQNWNXIT-CYBMUJFWSA-N -1 3 321.384 2.595 20 0 DFADHM CC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820981304 606514068 /nfs/dbraw/zinc/51/40/68/606514068.db2.gz QTNBRFKVEUSVGY-JTQLQIEISA-N -1 3 305.407 2.581 20 0 DFADHM CC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820981304 606514069 /nfs/dbraw/zinc/51/40/69/606514069.db2.gz QTNBRFKVEUSVGY-JTQLQIEISA-N -1 3 305.407 2.581 20 0 DFADHM CC[C@H]1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820973655 606515554 /nfs/dbraw/zinc/51/55/54/606515554.db2.gz YZHYMWMNRKJYJZ-GXSJLCMTSA-N -1 3 305.407 2.627 20 0 DFADHM CC[C@H]1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820973655 606515556 /nfs/dbraw/zinc/51/55/56/606515556.db2.gz YZHYMWMNRKJYJZ-GXSJLCMTSA-N -1 3 305.407 2.627 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc(-c2nnn[n-]2)cs1 ZINC000823146875 606520077 /nfs/dbraw/zinc/52/00/77/606520077.db2.gz ZFUBXAVNRKUBSO-JFGNBEQYSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc(-c2nn[n-]n2)cs1 ZINC000823146875 606520079 /nfs/dbraw/zinc/52/00/79/606520079.db2.gz ZFUBXAVNRKUBSO-JFGNBEQYSA-N -1 3 317.418 2.627 20 0 DFADHM CCC1(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000820967195 606570229 /nfs/dbraw/zinc/57/02/29/606570229.db2.gz LLFALTOKRAXKNV-UHFFFAOYSA-N -1 3 320.784 2.974 20 0 DFADHM CCC1(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC000820967195 606570230 /nfs/dbraw/zinc/57/02/30/606570230.db2.gz LLFALTOKRAXKNV-UHFFFAOYSA-N -1 3 320.784 2.974 20 0 DFADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820462004 606592199 /nfs/dbraw/zinc/59/21/99/606592199.db2.gz UERZRQBWQCMTPF-ZIBATOQPSA-N -1 3 322.372 2.627 20 0 DFADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820462004 606592201 /nfs/dbraw/zinc/59/22/01/606592201.db2.gz UERZRQBWQCMTPF-ZIBATOQPSA-N -1 3 322.372 2.627 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cc(F)ccc1F ZINC000821765431 606596462 /nfs/dbraw/zinc/59/64/62/606596462.db2.gz CSUHLHDNWUUYOH-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(F)ccc1F ZINC000821765431 606596463 /nfs/dbraw/zinc/59/64/63/606596463.db2.gz CSUHLHDNWUUYOH-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM C[C@H](OC(=O)CCc1ccoc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497892 606603884 /nfs/dbraw/zinc/60/38/84/606603884.db2.gz WODKCJHARIDGTF-NSHDSACASA-N -1 3 312.329 2.697 20 0 DFADHM C[C@H](OC(=O)CCc1ccoc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497892 606603886 /nfs/dbraw/zinc/60/38/86/606603886.db2.gz WODKCJHARIDGTF-NSHDSACASA-N -1 3 312.329 2.697 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820677221 606622048 /nfs/dbraw/zinc/62/20/48/606622048.db2.gz PWYHBOFXMBLKHM-UBYNWHESSA-N -1 3 315.352 2.715 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820677221 606622050 /nfs/dbraw/zinc/62/20/50/606622050.db2.gz PWYHBOFXMBLKHM-UBYNWHESSA-N -1 3 315.352 2.715 20 0 DFADHM O=C(CC1CCCCCC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822941364 606627113 /nfs/dbraw/zinc/62/71/13/606627113.db2.gz WGJIMZOAEVLLGW-UHFFFAOYSA-N -1 3 313.405 2.843 20 0 DFADHM O=C(CC1CCCCCC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822941364 606627114 /nfs/dbraw/zinc/62/71/14/606627114.db2.gz WGJIMZOAEVLLGW-UHFFFAOYSA-N -1 3 313.405 2.843 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823368479 606664046 /nfs/dbraw/zinc/66/40/46/606664046.db2.gz YCCDILNZDVOBAE-DZGCQCFKSA-N -1 3 319.368 2.684 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823368479 606664047 /nfs/dbraw/zinc/66/40/47/606664047.db2.gz YCCDILNZDVOBAE-DZGCQCFKSA-N -1 3 319.368 2.684 20 0 DFADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCCCCC1 ZINC000823454042 606664128 /nfs/dbraw/zinc/66/41/28/606664128.db2.gz JPVJPGNDYQAFEW-UHFFFAOYSA-N -1 3 321.331 2.551 20 0 DFADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCCCCC1 ZINC000823454042 606664129 /nfs/dbraw/zinc/66/41/29/606664129.db2.gz JPVJPGNDYQAFEW-UHFFFAOYSA-N -1 3 321.331 2.551 20 0 DFADHM C[C@@H]1CCCCCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820706270 606679828 /nfs/dbraw/zinc/67/98/28/606679828.db2.gz YIPOHWMYBFYFSV-SECBINFHSA-N -1 3 321.331 2.550 20 0 DFADHM C[C@@H]1CCCCCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820706270 606679829 /nfs/dbraw/zinc/67/98/29/606679829.db2.gz YIPOHWMYBFYFSV-SECBINFHSA-N -1 3 321.331 2.550 20 0 DFADHM COCC[C@@H](C)Sc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000821685586 606703895 /nfs/dbraw/zinc/70/38/95/606703895.db2.gz JMICROUNSJKWCD-SNVBAGLBSA-N -1 3 319.434 2.658 20 0 DFADHM COCC[C@@H](C)Sc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000821685586 606703896 /nfs/dbraw/zinc/70/38/96/606703896.db2.gz JMICROUNSJKWCD-SNVBAGLBSA-N -1 3 319.434 2.658 20 0 DFADHM Cc1nc(COc2ccc(-c3nnn[n-]3)c(F)c2)sc1C ZINC000822444703 606707691 /nfs/dbraw/zinc/70/76/91/606707691.db2.gz XYIPXZNJDURYIY-UHFFFAOYSA-N -1 3 305.338 2.658 20 0 DFADHM Cc1nc(COc2ccc(-c3nn[n-]n3)c(F)c2)sc1C ZINC000822444703 606707692 /nfs/dbraw/zinc/70/76/92/606707692.db2.gz XYIPXZNJDURYIY-UHFFFAOYSA-N -1 3 305.338 2.658 20 0 DFADHM CCOCCC1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC000821374213 606721074 /nfs/dbraw/zinc/72/10/74/606721074.db2.gz RVCIGOSUFOWGIS-UHFFFAOYSA-N -1 3 316.409 2.661 20 0 DFADHM CCOCCC1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC000821374213 606721075 /nfs/dbraw/zinc/72/10/75/606721075.db2.gz RVCIGOSUFOWGIS-UHFFFAOYSA-N -1 3 316.409 2.661 20 0 DFADHM CC[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC000820988853 606727474 /nfs/dbraw/zinc/72/74/74/606727474.db2.gz HUIGBCNJVDSIRN-LBPRGKRZSA-N -1 3 308.389 2.960 20 0 DFADHM CC[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC000820988853 606727476 /nfs/dbraw/zinc/72/74/76/606727476.db2.gz HUIGBCNJVDSIRN-LBPRGKRZSA-N -1 3 308.389 2.960 20 0 DFADHM Clc1ccc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000822578629 606729002 /nfs/dbraw/zinc/72/90/02/606729002.db2.gz MGLRLUBEZWYCGF-MPKXVKKWSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1ccc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC000822578629 606729004 /nfs/dbraw/zinc/72/90/04/606729004.db2.gz MGLRLUBEZWYCGF-MPKXVKKWSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000822582039 606729044 /nfs/dbraw/zinc/72/90/44/606729044.db2.gz OVMIZRDWHGTMFH-BIMULSAOSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000822582039 606729045 /nfs/dbraw/zinc/72/90/45/606729045.db2.gz OVMIZRDWHGTMFH-BIMULSAOSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000822582042 606729147 /nfs/dbraw/zinc/72/91/47/606729147.db2.gz OVMIZRDWHGTMFH-ZWKOPEQDSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000822582042 606729148 /nfs/dbraw/zinc/72/91/48/606729148.db2.gz OVMIZRDWHGTMFH-ZWKOPEQDSA-N -1 3 319.796 2.890 20 0 DFADHM CCCC1(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821028044 606736140 /nfs/dbraw/zinc/73/61/40/606736140.db2.gz SCUYDEILVZFINC-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCCC1(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821028044 606736142 /nfs/dbraw/zinc/73/61/42/606736142.db2.gz SCUYDEILVZFINC-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(OCc1ccccc1-c1nnn[n-]1)C(F)=C1CCCC1 ZINC000823431534 606797532 /nfs/dbraw/zinc/79/75/32/606797532.db2.gz QUFMCHWTCDXGGY-UHFFFAOYSA-N -1 3 302.309 2.708 20 0 DFADHM O=C(OCc1ccccc1-c1nn[n-]n1)C(F)=C1CCCC1 ZINC000823431534 606797533 /nfs/dbraw/zinc/79/75/33/606797533.db2.gz QUFMCHWTCDXGGY-UHFFFAOYSA-N -1 3 302.309 2.708 20 0 DFADHM CN(CCOCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821603952 606806870 /nfs/dbraw/zinc/80/68/70/606806870.db2.gz WIKCRSMODFVPSW-UHFFFAOYSA-N -1 3 309.373 2.520 20 0 DFADHM Fc1cccc(CCN(c2ccc(-c3nnn[n-]3)cn2)C2CC2)c1 ZINC000822786284 606835355 /nfs/dbraw/zinc/83/53/55/606835355.db2.gz HTURZYWBPJUYES-UHFFFAOYSA-N -1 3 324.363 2.612 20 0 DFADHM Fc1cccc(CCN(c2ccc(-c3nn[n-]n3)cn2)C2CC2)c1 ZINC000822786284 606835357 /nfs/dbraw/zinc/83/53/57/606835357.db2.gz HTURZYWBPJUYES-UHFFFAOYSA-N -1 3 324.363 2.612 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820979338 606835737 /nfs/dbraw/zinc/83/57/37/606835737.db2.gz GZGANSIBVVNNSW-SKDRFNHKSA-N -1 3 318.356 2.706 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820979338 606835739 /nfs/dbraw/zinc/83/57/39/606835739.db2.gz GZGANSIBVVNNSW-SKDRFNHKSA-N -1 3 318.356 2.706 20 0 DFADHM CC(C)=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820004966 606841461 /nfs/dbraw/zinc/84/14/61/606841461.db2.gz GTCZOQYDIHYWTN-UHFFFAOYSA-N -1 3 303.391 2.712 20 0 DFADHM CC(C)=C(C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820004966 606841460 /nfs/dbraw/zinc/84/14/60/606841460.db2.gz GTCZOQYDIHYWTN-UHFFFAOYSA-N -1 3 303.391 2.712 20 0 DFADHM OC1(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCC1 ZINC000823697060 606860936 /nfs/dbraw/zinc/86/09/36/606860936.db2.gz ITZJRGIOEYXSIQ-UHFFFAOYSA-N -1 3 322.368 2.828 20 0 DFADHM OC1(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCC1 ZINC000823697060 606860937 /nfs/dbraw/zinc/86/09/37/606860937.db2.gz ITZJRGIOEYXSIQ-UHFFFAOYSA-N -1 3 322.368 2.828 20 0 DFADHM Cc1cnc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000822395155 606865390 /nfs/dbraw/zinc/86/53/90/606865390.db2.gz TYKWNCIXMUVWSS-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM Cc1cnc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000822395155 606865392 /nfs/dbraw/zinc/86/53/92/606865392.db2.gz TYKWNCIXMUVWSS-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM FC1(F)CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822736228 606881470 /nfs/dbraw/zinc/88/14/70/606881470.db2.gz AZEVXXYMNJEWNE-SSDOTTSWSA-N -1 3 300.700 2.515 20 0 DFADHM FC1(F)CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000822736228 606881472 /nfs/dbraw/zinc/88/14/72/606881472.db2.gz AZEVXXYMNJEWNE-SSDOTTSWSA-N -1 3 300.700 2.515 20 0 DFADHM Cc1ccc(N(C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822241063 606887649 /nfs/dbraw/zinc/88/76/49/606887649.db2.gz KBIZHOBNUSUYEI-KRWDZBQOSA-N -1 3 323.400 2.653 20 0 DFADHM Cc1ccc(N(C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822241063 606887651 /nfs/dbraw/zinc/88/76/51/606887651.db2.gz KBIZHOBNUSUYEI-KRWDZBQOSA-N -1 3 323.400 2.653 20 0 DFADHM CCCC[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821040038 606924366 /nfs/dbraw/zinc/92/43/66/606924366.db2.gz HUNMGHLZYUQNIB-RYUDHWBXSA-N -1 3 318.377 2.756 20 0 DFADHM CCCC[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821040038 606924368 /nfs/dbraw/zinc/92/43/68/606924368.db2.gz HUNMGHLZYUQNIB-RYUDHWBXSA-N -1 3 318.377 2.756 20 0 DFADHM CC[C@@]1(C)CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820949658 606933605 /nfs/dbraw/zinc/93/36/05/606933605.db2.gz DDXJSDWDQUQUQX-HNNXBMFYSA-N -1 3 316.434 2.686 20 0 DFADHM CC[C@@]1(C)CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820949658 606933607 /nfs/dbraw/zinc/93/36/07/606933607.db2.gz DDXJSDWDQUQUQX-HNNXBMFYSA-N -1 3 316.434 2.686 20 0 DFADHM CC(C)C1CCC(NC(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820038525 606937851 /nfs/dbraw/zinc/93/78/51/606937851.db2.gz OPVJOAGBRRBGQX-UHFFFAOYSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)C1CCC(NC(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820038525 606937853 /nfs/dbraw/zinc/93/78/53/606937853.db2.gz OPVJOAGBRRBGQX-UHFFFAOYSA-N -1 3 319.434 2.873 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@]2(C)CCCS2)n1 ZINC000822192948 606946712 /nfs/dbraw/zinc/94/67/12/606946712.db2.gz GMJQOVODNJNXMD-CQSZACIVSA-N -1 3 304.423 2.576 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@]2(C)CCCS2)n1 ZINC000822192948 606946714 /nfs/dbraw/zinc/94/67/14/606946714.db2.gz GMJQOVODNJNXMD-CQSZACIVSA-N -1 3 304.423 2.576 20 0 DFADHM CCCC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000821034721 606950456 /nfs/dbraw/zinc/95/04/56/606950456.db2.gz RZBKCCKJRVBKGH-UHFFFAOYSA-N -1 3 314.393 2.959 20 0 DFADHM CCCC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000821034721 606950457 /nfs/dbraw/zinc/95/04/57/606950457.db2.gz RZBKCCKJRVBKGH-UHFFFAOYSA-N -1 3 314.393 2.959 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820950529 606957746 /nfs/dbraw/zinc/95/77/46/606957746.db2.gz OZDIXOITYMGYMY-IJDCCNJMSA-N -1 3 311.389 2.529 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820950529 606957747 /nfs/dbraw/zinc/95/77/47/606957747.db2.gz OZDIXOITYMGYMY-IJDCCNJMSA-N -1 3 311.389 2.529 20 0 DFADHM CC1CC(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820650226 606960161 /nfs/dbraw/zinc/96/01/61/606960161.db2.gz RZUPOTNOOQTTQS-UHFFFAOYSA-N -1 3 305.769 2.529 20 0 DFADHM CC1CC(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820650226 606960162 /nfs/dbraw/zinc/96/01/62/606960162.db2.gz RZUPOTNOOQTTQS-UHFFFAOYSA-N -1 3 305.769 2.529 20 0 DFADHM Fc1ccc(CN2CCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000822772196 606960555 /nfs/dbraw/zinc/96/05/55/606960555.db2.gz SXYPSQQBVHJAKE-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM Fc1ccc(CN2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000822772196 606960556 /nfs/dbraw/zinc/96/05/56/606960556.db2.gz SXYPSQQBVHJAKE-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM Fc1ccc(CN2CCc3sccc3C2)cc1-c1nnn[n-]1 ZINC000822771191 606961794 /nfs/dbraw/zinc/96/17/94/606961794.db2.gz DQBRPPNZOXFRAE-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1ccc(CN2CCc3sccc3C2)cc1-c1nn[n-]n1 ZINC000822771191 606961795 /nfs/dbraw/zinc/96/17/95/606961795.db2.gz DQBRPPNZOXFRAE-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM CC(C)=C(C)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820005505 606964061 /nfs/dbraw/zinc/96/40/61/606964061.db2.gz SIZRZBUIIJRWII-UHFFFAOYSA-N -1 3 305.769 2.839 20 0 DFADHM CC(C)=C(C)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820005505 606964062 /nfs/dbraw/zinc/96/40/62/606964062.db2.gz SIZRZBUIIJRWII-UHFFFAOYSA-N -1 3 305.769 2.839 20 0 DFADHM CN(C(=O)C=Cc1ccsc1)c1ccccc1-c1nnn[n-]1 ZINC000821569887 606969140 /nfs/dbraw/zinc/96/91/40/606969140.db2.gz ZHXPXXIOWNPFIS-SREVYHEPSA-N -1 3 311.370 2.604 20 0 DFADHM CN(C(=O)C=Cc1ccsc1)c1ccccc1-c1nn[n-]n1 ZINC000821569887 606969141 /nfs/dbraw/zinc/96/91/41/606969141.db2.gz ZHXPXXIOWNPFIS-SREVYHEPSA-N -1 3 311.370 2.604 20 0 DFADHM CN(C(=O)CCc1ccsc1)c1ccccc1-c1nnn[n-]1 ZINC000821569303 606971215 /nfs/dbraw/zinc/97/12/15/606971215.db2.gz FDOIIUJRNJULCK-UHFFFAOYSA-N -1 3 313.386 2.524 20 0 DFADHM CN(C(=O)CCc1ccsc1)c1ccccc1-c1nn[n-]n1 ZINC000821569303 606971217 /nfs/dbraw/zinc/97/12/17/606971217.db2.gz FDOIIUJRNJULCK-UHFFFAOYSA-N -1 3 313.386 2.524 20 0 DFADHM CCOC(=O)C[C@@H](C)SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821325100 607010398 /nfs/dbraw/zinc/01/03/98/607010398.db2.gz BRVFAFNFEVPRBT-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)C[C@@H](C)SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821325100 607010399 /nfs/dbraw/zinc/01/03/99/607010399.db2.gz BRVFAFNFEVPRBT-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM CC=C(C=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)CC ZINC000820826635 607023068 /nfs/dbraw/zinc/02/30/68/607023068.db2.gz OJBYIPIGDPFDKA-GQHUZBHDSA-N -1 3 315.352 2.535 20 0 DFADHM CC=C(C=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)CC ZINC000820826635 607023070 /nfs/dbraw/zinc/02/30/70/607023070.db2.gz OJBYIPIGDPFDKA-GQHUZBHDSA-N -1 3 315.352 2.535 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1cccc2c1OCCO2 ZINC000822221657 607030098 /nfs/dbraw/zinc/03/00/98/607030098.db2.gz ZMCRAYNIMXOHOJ-UHFFFAOYSA-N -1 3 324.340 2.525 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1cccc2c1OCCO2 ZINC000822221657 607030101 /nfs/dbraw/zinc/03/01/01/607030101.db2.gz ZMCRAYNIMXOHOJ-UHFFFAOYSA-N -1 3 324.340 2.525 20 0 DFADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC000821821682 607038023 /nfs/dbraw/zinc/03/80/23/607038023.db2.gz QWVWUEISDHONDJ-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC000821821682 607038025 /nfs/dbraw/zinc/03/80/25/607038025.db2.gz QWVWUEISDHONDJ-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CCn1ccnc1SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821566813 607039522 /nfs/dbraw/zinc/03/95/22/607039522.db2.gz VGQPRLDKAXFMMQ-UHFFFAOYSA-N -1 3 304.354 2.515 20 0 DFADHM CCn1ccnc1SCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821566813 607039524 /nfs/dbraw/zinc/03/95/24/607039524.db2.gz VGQPRLDKAXFMMQ-UHFFFAOYSA-N -1 3 304.354 2.515 20 0 DFADHM CCC(CC)CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820893786 607042556 /nfs/dbraw/zinc/04/25/56/607042556.db2.gz VKTUKXINLKZMNV-LLVKDONJSA-N -1 3 301.394 2.870 20 0 DFADHM CCC(CC)CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820893786 607042554 /nfs/dbraw/zinc/04/25/54/607042554.db2.gz VKTUKXINLKZMNV-LLVKDONJSA-N -1 3 301.394 2.870 20 0 DFADHM CCC(CC)(CC)CNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820882564 607048530 /nfs/dbraw/zinc/04/85/30/607048530.db2.gz UAVJZJCJMYVWLB-UHFFFAOYSA-N -1 3 301.394 2.813 20 0 DFADHM CCC(CC)(CC)CNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820882564 607048531 /nfs/dbraw/zinc/04/85/31/607048531.db2.gz UAVJZJCJMYVWLB-UHFFFAOYSA-N -1 3 301.394 2.813 20 0 DFADHM C[C@@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)C(C)(C)C ZINC000819883190 607083211 /nfs/dbraw/zinc/08/32/11/607083211.db2.gz FNQFKYZMDHDYKC-VIFPVBQESA-N -1 3 306.341 2.731 20 0 DFADHM C[C@@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)C(C)(C)C ZINC000819883190 607083213 /nfs/dbraw/zinc/08/32/13/607083213.db2.gz FNQFKYZMDHDYKC-VIFPVBQESA-N -1 3 306.341 2.731 20 0 DFADHM C[C@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC000819883630 607085230 /nfs/dbraw/zinc/08/52/30/607085230.db2.gz JOQWEDNPUWIGNZ-JTQLQIEISA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)C1CCCC1 ZINC000819883630 607085231 /nfs/dbraw/zinc/08/52/31/607085231.db2.gz JOQWEDNPUWIGNZ-JTQLQIEISA-N -1 3 318.352 2.875 20 0 DFADHM Cc1cscc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822414262 607086096 /nfs/dbraw/zinc/08/60/96/607086096.db2.gz AGWMCPYZXVGBKU-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1cscc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822414262 607086097 /nfs/dbraw/zinc/08/60/97/607086097.db2.gz AGWMCPYZXVGBKU-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM CCCC1(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CCC1 ZINC000821028048 607087330 /nfs/dbraw/zinc/08/73/30/607087330.db2.gz SEWPCIHVAFVIHQ-UHFFFAOYSA-N -1 3 315.377 2.784 20 0 DFADHM CCCC1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CCC1 ZINC000821028048 607087332 /nfs/dbraw/zinc/08/73/32/607087332.db2.gz SEWPCIHVAFVIHQ-UHFFFAOYSA-N -1 3 315.377 2.784 20 0 DFADHM CCC(=CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)CC ZINC000820833173 607091687 /nfs/dbraw/zinc/09/16/87/607091687.db2.gz SRAHXWBKIOOLCE-UHFFFAOYSA-N -1 3 304.325 2.795 20 0 DFADHM CCC(=CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)CC ZINC000820833173 607091689 /nfs/dbraw/zinc/09/16/89/607091689.db2.gz SRAHXWBKIOOLCE-UHFFFAOYSA-N -1 3 304.325 2.795 20 0 DFADHM CC(C)(C)c1nccc(Oc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000819971686 607128356 /nfs/dbraw/zinc/12/83/56/607128356.db2.gz RCMKCVVBZMJGKT-UHFFFAOYSA-N -1 3 314.324 2.886 20 0 DFADHM CC(C)(C)c1nccc(Oc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000819971686 607128357 /nfs/dbraw/zinc/12/83/57/607128357.db2.gz RCMKCVVBZMJGKT-UHFFFAOYSA-N -1 3 314.324 2.886 20 0 DFADHM FC1(F)CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822736569 607131325 /nfs/dbraw/zinc/13/13/25/607131325.db2.gz HAWYTMZUHCNUDW-QMMMGPOBSA-N -1 3 314.727 2.905 20 0 DFADHM FC1(F)CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000822736569 607131327 /nfs/dbraw/zinc/13/13/27/607131327.db2.gz HAWYTMZUHCNUDW-QMMMGPOBSA-N -1 3 314.727 2.905 20 0 DFADHM FC1(F)CCC[C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000822736373 607131401 /nfs/dbraw/zinc/13/14/01/607131401.db2.gz DOZYVTYIZABGLH-SNVBAGLBSA-N -1 3 320.347 2.740 20 0 DFADHM FC1(F)CCC[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000822736373 607131399 /nfs/dbraw/zinc/13/13/99/607131399.db2.gz DOZYVTYIZABGLH-SNVBAGLBSA-N -1 3 320.347 2.740 20 0 DFADHM Cc1cc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1C ZINC000822200964 607132275 /nfs/dbraw/zinc/13/22/75/607132275.db2.gz LETLXHWQVKKHLP-LLVKDONJSA-N -1 3 314.418 2.903 20 0 DFADHM Cc1cc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1C ZINC000822200964 607132276 /nfs/dbraw/zinc/13/22/76/607132276.db2.gz LETLXHWQVKKHLP-LLVKDONJSA-N -1 3 314.418 2.903 20 0 DFADHM COc1ccc(C)cc1COc1ccc(-c2nnn[n-]2)cc1F ZINC000821782775 607135040 /nfs/dbraw/zinc/13/50/40/607135040.db2.gz NRIHTPMGNDPMQM-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(C)cc1COc1ccc(-c2nn[n-]n2)cc1F ZINC000821782775 607135042 /nfs/dbraw/zinc/13/50/42/607135042.db2.gz NRIHTPMGNDPMQM-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM Fc1ccccc1OCCOc1ccc(-c2nnn[n-]2)cc1F ZINC000822796680 607139091 /nfs/dbraw/zinc/13/90/91/607139091.db2.gz VKLUWOJEVCQCKG-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Fc1ccccc1OCCOc1ccc(-c2nn[n-]n2)cc1F ZINC000822796680 607139092 /nfs/dbraw/zinc/13/90/92/607139092.db2.gz VKLUWOJEVCQCKG-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Cc1csc(=Nc2ccccc2-c2nnn[n-]2)n1CCCF ZINC000822409325 607145880 /nfs/dbraw/zinc/14/58/80/607145880.db2.gz PZNKKCLPKKAFBW-UHFFFAOYSA-N -1 3 318.381 2.630 20 0 DFADHM Cc1csc(=Nc2ccccc2-c2nn[n-]n2)n1CCCF ZINC000822409325 607145882 /nfs/dbraw/zinc/14/58/82/607145882.db2.gz PZNKKCLPKKAFBW-UHFFFAOYSA-N -1 3 318.381 2.630 20 0 DFADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C1=CCCC1 ZINC000821699440 607152569 /nfs/dbraw/zinc/15/25/69/607152569.db2.gz PVVBDDSBDCOCMC-UHFFFAOYSA-N -1 3 320.736 2.544 20 0 DFADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C1=CCCC1 ZINC000821699440 607152571 /nfs/dbraw/zinc/15/25/71/607152571.db2.gz PVVBDDSBDCOCMC-UHFFFAOYSA-N -1 3 320.736 2.544 20 0 DFADHM Cc1cc(OC(=O)c2sccc2-c2nnn[n-]2)ccc1F ZINC000822210815 607158790 /nfs/dbraw/zinc/15/87/90/607158790.db2.gz RZSQIGZNODWHCI-UHFFFAOYSA-N -1 3 304.306 2.595 20 0 DFADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821016378 607164555 /nfs/dbraw/zinc/16/45/55/607164555.db2.gz VLMYLKHMMLXAJV-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821016378 607164556 /nfs/dbraw/zinc/16/45/56/607164556.db2.gz VLMYLKHMMLXAJV-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821015389 607164688 /nfs/dbraw/zinc/16/46/88/607164688.db2.gz PQVWSEXWOYJICW-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821015389 607164690 /nfs/dbraw/zinc/16/46/90/607164690.db2.gz PQVWSEXWOYJICW-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1C[C@H]2CCC[C@H]21 ZINC000823313910 607198522 /nfs/dbraw/zinc/19/85/22/607198522.db2.gz LVAMLZWRWHDSGO-BXKDBHETSA-N -1 3 318.768 2.536 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1C[C@H]2CCC[C@H]21 ZINC000823313910 607198523 /nfs/dbraw/zinc/19/85/23/607198523.db2.gz LVAMLZWRWHDSGO-BXKDBHETSA-N -1 3 318.768 2.536 20 0 DFADHM CC(C)CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820076155 607198653 /nfs/dbraw/zinc/19/86/53/607198653.db2.gz CXADVESDVKGRDT-UHFFFAOYSA-N -1 3 308.773 2.688 20 0 DFADHM CC(C)CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820076155 607198652 /nfs/dbraw/zinc/19/86/52/607198652.db2.gz CXADVESDVKGRDT-UHFFFAOYSA-N -1 3 308.773 2.688 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C[C@H]1C ZINC000820743865 607203535 /nfs/dbraw/zinc/20/35/35/607203535.db2.gz WCEJNYUGTZLSNT-DTORHVGOSA-N -1 3 320.784 2.640 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@H]1C ZINC000820743865 607203536 /nfs/dbraw/zinc/20/35/36/607203536.db2.gz WCEJNYUGTZLSNT-DTORHVGOSA-N -1 3 320.784 2.640 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1CC12CCC2 ZINC000823313860 607242811 /nfs/dbraw/zinc/24/28/11/607242811.db2.gz KIRCIQIWJWJFAI-VIFPVBQESA-N -1 3 303.753 2.649 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CC12CCC2 ZINC000823313860 607242812 /nfs/dbraw/zinc/24/28/12/607242812.db2.gz KIRCIQIWJWJFAI-VIFPVBQESA-N -1 3 303.753 2.649 20 0 DFADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000820225320 607243477 /nfs/dbraw/zinc/24/34/77/607243477.db2.gz GGACGBABKRMHPB-MRVPVSSYSA-N -1 3 305.769 2.895 20 0 DFADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000820225320 607243478 /nfs/dbraw/zinc/24/34/78/607243478.db2.gz GGACGBABKRMHPB-MRVPVSSYSA-N -1 3 305.769 2.895 20 0 DFADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000820225321 607243686 /nfs/dbraw/zinc/24/36/86/607243686.db2.gz GGACGBABKRMHPB-QMMMGPOBSA-N -1 3 305.769 2.895 20 0 DFADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000820225321 607243687 /nfs/dbraw/zinc/24/36/87/607243687.db2.gz GGACGBABKRMHPB-QMMMGPOBSA-N -1 3 305.769 2.895 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@@H]1C1CC1 ZINC000823313689 607244003 /nfs/dbraw/zinc/24/40/03/607244003.db2.gz HUABWFSHTSWQGY-ZJUUUORDSA-N -1 3 303.753 2.505 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@@H]1C1CC1 ZINC000823313689 607244004 /nfs/dbraw/zinc/24/40/04/607244004.db2.gz HUABWFSHTSWQGY-ZJUUUORDSA-N -1 3 303.753 2.505 20 0 DFADHM CCc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821475877 607244346 /nfs/dbraw/zinc/24/43/46/607244346.db2.gz BUDNKCMVBODQNJ-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CCc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821475877 607244347 /nfs/dbraw/zinc/24/43/47/607244347.db2.gz BUDNKCMVBODQNJ-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C1CCCCCC1 ZINC000823450452 607250219 /nfs/dbraw/zinc/25/02/19/607250219.db2.gz REKVOSQKYHVSQW-UHFFFAOYSA-N -1 3 304.325 2.882 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C1CCCCCC1 ZINC000823450452 607250220 /nfs/dbraw/zinc/25/02/20/607250220.db2.gz REKVOSQKYHVSQW-UHFFFAOYSA-N -1 3 304.325 2.882 20 0 DFADHM CC1(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000824831408 607780021 /nfs/dbraw/zinc/78/00/21/607780021.db2.gz NWYFTDWSEOJQFD-UHFFFAOYSA-N -1 3 314.389 2.923 20 0 DFADHM CC1(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000824831408 607780022 /nfs/dbraw/zinc/78/00/22/607780022.db2.gz NWYFTDWSEOJQFD-UHFFFAOYSA-N -1 3 314.389 2.923 20 0 DFADHM CC1(C)C[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000824795968 607782295 /nfs/dbraw/zinc/78/22/95/607782295.db2.gz KDQRLABEECRACO-VIFPVBQESA-N -1 3 317.418 2.792 20 0 DFADHM CC1(C)C[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000824795968 607782296 /nfs/dbraw/zinc/78/22/96/607782296.db2.gz KDQRLABEECRACO-VIFPVBQESA-N -1 3 317.418 2.792 20 0 DFADHM Cc1nc(Cl)ccc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826326358 607783376 /nfs/dbraw/zinc/78/33/76/607783376.db2.gz MHZXOFCVTGUJTO-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1nc(Cl)ccc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826326358 607783377 /nfs/dbraw/zinc/78/33/77/607783377.db2.gz MHZXOFCVTGUJTO-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM CCc1ccc(CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825704260 607786309 /nfs/dbraw/zinc/78/63/09/607786309.db2.gz FKYJYZWDMQSCSW-UHFFFAOYSA-N -1 3 321.384 2.635 20 0 DFADHM CCc1ccc(CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825704260 607786310 /nfs/dbraw/zinc/78/63/10/607786310.db2.gz FKYJYZWDMQSCSW-UHFFFAOYSA-N -1 3 321.384 2.635 20 0 DFADHM CCN(C(=O)/C=C1\CC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366600 607798120 /nfs/dbraw/zinc/79/81/20/607798120.db2.gz CICCHGHNOLIQGN-RVROTUBLSA-N -1 3 311.389 2.966 20 0 DFADHM CCN(C(=O)/C=C1\CC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366600 607798121 /nfs/dbraw/zinc/79/81/21/607798121.db2.gz CICCHGHNOLIQGN-RVROTUBLSA-N -1 3 311.389 2.966 20 0 DFADHM Clc1cc(-c2nnn[n-]2)ccc1OCc1cnoc1C1CC1 ZINC000826350747 607813491 /nfs/dbraw/zinc/81/34/91/607813491.db2.gz JIPHORZNXJRVHE-UHFFFAOYSA-N -1 3 317.736 2.965 20 0 DFADHM Clc1cc(-c2nn[n-]n2)ccc1OCc1cnoc1C1CC1 ZINC000826350747 607813492 /nfs/dbraw/zinc/81/34/92/607813492.db2.gz JIPHORZNXJRVHE-UHFFFAOYSA-N -1 3 317.736 2.965 20 0 DFADHM C[C@@H]1OCC[C@@H]1SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825021893 607845466 /nfs/dbraw/zinc/84/54/66/607845466.db2.gz VBQIMNHVSMBLKW-FZMZJTMJSA-N -1 3 320.418 2.546 20 0 DFADHM C[C@@H]1OCC[C@@H]1SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825021893 607845467 /nfs/dbraw/zinc/84/54/67/607845467.db2.gz VBQIMNHVSMBLKW-FZMZJTMJSA-N -1 3 320.418 2.546 20 0 DFADHM Cc1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826292277 607872496 /nfs/dbraw/zinc/87/24/96/607872496.db2.gz OPEHMDCUBDFOEP-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826292277 607872497 /nfs/dbraw/zinc/87/24/97/607872497.db2.gz OPEHMDCUBDFOEP-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cc(C)cc([C@H](O)COc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000826264408 607877106 /nfs/dbraw/zinc/87/71/06/607877106.db2.gz NEUFDUDPTUHKCV-MRXNPFEDSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1cc(C)cc([C@H](O)COc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000826264408 607877107 /nfs/dbraw/zinc/87/71/07/607877107.db2.gz NEUFDUDPTUHKCV-MRXNPFEDSA-N -1 3 324.384 2.904 20 0 DFADHM Fc1ccc(Cn2ccc(-c3nnn[n-]3)c2)cc1Br ZINC000826374863 607891140 /nfs/dbraw/zinc/89/11/40/607891140.db2.gz PBAGVHQJLLHDHY-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM Fc1ccc(Cn2ccc(-c3nn[n-]n3)c2)cc1Br ZINC000826374863 607891141 /nfs/dbraw/zinc/89/11/41/607891141.db2.gz PBAGVHQJLLHDHY-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM Cc1cccc(C(C)C)c1NC(=O)Cn1ccc(-c2nnn[n-]2)c1 ZINC000826296434 607891167 /nfs/dbraw/zinc/89/11/67/607891167.db2.gz WUYRMDLWFLMZOH-UHFFFAOYSA-N -1 3 324.388 2.739 20 0 DFADHM Cc1cccc(C(C)C)c1NC(=O)Cn1ccc(-c2nn[n-]n2)c1 ZINC000826296434 607891168 /nfs/dbraw/zinc/89/11/68/607891168.db2.gz WUYRMDLWFLMZOH-UHFFFAOYSA-N -1 3 324.388 2.739 20 0 DFADHM CC[C@H](C)c1ccc(NC(=O)Cn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000825076473 607891510 /nfs/dbraw/zinc/89/15/10/607891510.db2.gz VRCXKRKMUOEQGM-LBPRGKRZSA-N -1 3 324.388 2.820 20 0 DFADHM CC[C@H](C)c1ccc(NC(=O)Cn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000825076473 607891511 /nfs/dbraw/zinc/89/15/11/607891511.db2.gz VRCXKRKMUOEQGM-LBPRGKRZSA-N -1 3 324.388 2.820 20 0 DFADHM Fc1ccc(Cn2ccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826374918 607891969 /nfs/dbraw/zinc/89/19/69/607891969.db2.gz RQBYFZSNSUEBCH-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM Cc1noc(C)c1CCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826338832 607893512 /nfs/dbraw/zinc/89/35/12/607893512.db2.gz JHPUHSGZFKYRCJ-UHFFFAOYSA-N -1 3 319.752 2.746 20 0 DFADHM Cc1noc(C)c1CCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826338832 607893513 /nfs/dbraw/zinc/89/35/13/607893513.db2.gz JHPUHSGZFKYRCJ-UHFFFAOYSA-N -1 3 319.752 2.746 20 0 DFADHM CC(C)Oc1cccc(CN(C)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000824334166 607903512 /nfs/dbraw/zinc/90/35/12/607903512.db2.gz PWKLDXYYTDXZBU-UHFFFAOYSA-N -1 3 324.388 2.685 20 0 DFADHM CC(C)Oc1cccc(CN(C)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000824334166 607903513 /nfs/dbraw/zinc/90/35/13/607903513.db2.gz PWKLDXYYTDXZBU-UHFFFAOYSA-N -1 3 324.388 2.685 20 0 DFADHM Cc1ccc(NC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826290963 607931632 /nfs/dbraw/zinc/93/16/32/607931632.db2.gz IUZVNTYHGZQHGP-UHFFFAOYSA-N -1 3 320.356 2.770 20 0 DFADHM Cc1ccc(NC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826290963 607931633 /nfs/dbraw/zinc/93/16/33/607931633.db2.gz IUZVNTYHGZQHGP-UHFFFAOYSA-N -1 3 320.356 2.770 20 0 DFADHM O=C(C=Cc1ccsc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826402929 607950060 /nfs/dbraw/zinc/95/00/60/607950060.db2.gz GFBMQGPJQRZZTD-DAFODLJHSA-N -1 3 323.381 2.531 20 0 DFADHM O=C(C=Cc1ccsc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826402929 607950061 /nfs/dbraw/zinc/95/00/61/607950061.db2.gz GFBMQGPJQRZZTD-DAFODLJHSA-N -1 3 323.381 2.531 20 0 DFADHM CS[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826224753 607962354 /nfs/dbraw/zinc/96/23/54/607962354.db2.gz LDQAFWCWTMZNRB-VIFPVBQESA-N -1 3 322.438 2.503 20 0 DFADHM CS[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826224753 607962355 /nfs/dbraw/zinc/96/23/55/607962355.db2.gz LDQAFWCWTMZNRB-VIFPVBQESA-N -1 3 322.438 2.503 20 0 DFADHM Cc1cc(C)nc(Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826265956 607965784 /nfs/dbraw/zinc/96/57/84/607965784.db2.gz VFDIKIFPKKQQKE-UHFFFAOYSA-N -1 3 302.338 2.564 20 0 DFADHM Cc1cc(C)nc(Sc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826265956 607965785 /nfs/dbraw/zinc/96/57/85/607965785.db2.gz VFDIKIFPKKQQKE-UHFFFAOYSA-N -1 3 302.338 2.564 20 0 DFADHM CCC[C@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000825258848 607969478 /nfs/dbraw/zinc/96/94/78/607969478.db2.gz FJOXVHDOXIHUDB-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CCC[C@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000825258848 607969479 /nfs/dbraw/zinc/96/94/79/607969479.db2.gz FJOXVHDOXIHUDB-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(O)c1 ZINC000825352328 607975050 /nfs/dbraw/zinc/97/50/50/607975050.db2.gz LWQWJZOZHRHWFZ-UHFFFAOYSA-N -1 3 320.356 2.999 20 0 DFADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(O)c1 ZINC000825352328 607975051 /nfs/dbraw/zinc/97/50/51/607975051.db2.gz LWQWJZOZHRHWFZ-UHFFFAOYSA-N -1 3 320.356 2.999 20 0 DFADHM CC(=O)c1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000824024830 608005393 /nfs/dbraw/zinc/00/53/93/608005393.db2.gz QSXFDMWBYDUSHG-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM CC(=O)c1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000824024830 608005394 /nfs/dbraw/zinc/00/53/94/608005394.db2.gz QSXFDMWBYDUSHG-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM Cc1cncc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000826319446 608017283 /nfs/dbraw/zinc/01/72/83/608017283.db2.gz DAUACUBFPBLBLN-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cncc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000826319446 608017284 /nfs/dbraw/zinc/01/72/84/608017284.db2.gz DAUACUBFPBLBLN-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000824651278 608046988 /nfs/dbraw/zinc/04/69/88/608046988.db2.gz YRFHEGMENKTXAN-SSDOTTSWSA-N -1 3 308.183 2.840 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC2CCC(F)(F)CC2)n1 ZINC000826262311 608053135 /nfs/dbraw/zinc/05/31/35/608053135.db2.gz LHQXECKJVDQPHS-UHFFFAOYSA-N -1 3 308.336 2.868 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC2CCC(F)(F)CC2)n1 ZINC000826262311 608053136 /nfs/dbraw/zinc/05/31/36/608053136.db2.gz LHQXECKJVDQPHS-UHFFFAOYSA-N -1 3 308.336 2.868 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCCC(F)(F)F ZINC000826252193 608075495 /nfs/dbraw/zinc/07/54/95/608075495.db2.gz SXSLILRLCIHDKQ-UHFFFAOYSA-N -1 3 314.267 2.674 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCCC(F)(F)F ZINC000826252193 608075496 /nfs/dbraw/zinc/07/54/96/608075496.db2.gz SXSLILRLCIHDKQ-UHFFFAOYSA-N -1 3 314.267 2.674 20 0 DFADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824907261 608078639 /nfs/dbraw/zinc/07/86/39/608078639.db2.gz HKCUVQUXHMEYOD-UWVGGRQHSA-N -1 3 318.356 2.658 20 0 DFADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824907261 608078640 /nfs/dbraw/zinc/07/86/40/608078640.db2.gz HKCUVQUXHMEYOD-UWVGGRQHSA-N -1 3 318.356 2.658 20 0 DFADHM c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000826514630 608099050 /nfs/dbraw/zinc/09/90/50/608099050.db2.gz XNCZIIPEIXNHRA-AGIUHOORSA-N -1 3 319.459 2.658 20 0 DFADHM C[C@@H]1CCc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824966996 608099093 /nfs/dbraw/zinc/09/90/93/608099093.db2.gz GKPGTMQPDJBKIE-BZNIZROVSA-N -1 3 306.373 2.997 20 0 DFADHM C[C@@H]1CCc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824966996 608099094 /nfs/dbraw/zinc/09/90/94/608099094.db2.gz GKPGTMQPDJBKIE-BZNIZROVSA-N -1 3 306.373 2.997 20 0 DFADHM COc1ccc(CNc2ccccc2N(C)C)cc1-c1nnn[n-]1 ZINC000826203905 608112416 /nfs/dbraw/zinc/11/24/16/608112416.db2.gz LNLRAHAYEYEDFF-UHFFFAOYSA-N -1 3 324.388 2.553 20 0 DFADHM COc1ccc(CNc2ccccc2N(C)C)cc1-c1nn[n-]n1 ZINC000826203905 608112417 /nfs/dbraw/zinc/11/24/17/608112417.db2.gz LNLRAHAYEYEDFF-UHFFFAOYSA-N -1 3 324.388 2.553 20 0 DFADHM CC(C)n1cccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824521836 608120306 /nfs/dbraw/zinc/12/03/06/608120306.db2.gz NISUIJCWIUWWQR-GFCCVEGCSA-N -1 3 324.388 2.740 20 0 DFADHM CC(C)n1cccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824521836 608120307 /nfs/dbraw/zinc/12/03/07/608120307.db2.gz NISUIJCWIUWWQR-GFCCVEGCSA-N -1 3 324.388 2.740 20 0 DFADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)nn1[C@@H](C)C1CC1 ZINC000826271569 608133963 /nfs/dbraw/zinc/13/39/63/608133963.db2.gz XHFOXDSZUXTAIY-LBPRGKRZSA-N -1 3 323.404 2.955 20 0 DFADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)nn1[C@@H](C)C1CC1 ZINC000826271569 608133964 /nfs/dbraw/zinc/13/39/64/608133964.db2.gz XHFOXDSZUXTAIY-LBPRGKRZSA-N -1 3 323.404 2.955 20 0 DFADHM C[C@H](OC(=O)[C@H]1CCC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000824712724 608141610 /nfs/dbraw/zinc/14/16/10/608141610.db2.gz CANACKXAQDILLA-MJVIPROJSA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H](OC(=O)[C@H]1CCC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000824712724 608141611 /nfs/dbraw/zinc/14/16/11/608141611.db2.gz CANACKXAQDILLA-MJVIPROJSA-N -1 3 300.362 2.907 20 0 DFADHM CCC[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000825225758 608159984 /nfs/dbraw/zinc/15/99/84/608159984.db2.gz XFTCIUGYNUNDMV-NSHDSACASA-N -1 3 306.341 2.984 20 0 DFADHM CCC[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000825225758 608159986 /nfs/dbraw/zinc/15/99/86/608159986.db2.gz XFTCIUGYNUNDMV-NSHDSACASA-N -1 3 306.341 2.984 20 0 DFADHM CC(C)c1nsc(Sc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000824371336 608178632 /nfs/dbraw/zinc/17/86/32/608178632.db2.gz APSAMKQZBAFULZ-UHFFFAOYSA-N -1 3 304.404 2.993 20 0 DFADHM CC(C)c1nsc(Sc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824371336 608178633 /nfs/dbraw/zinc/17/86/33/608178633.db2.gz APSAMKQZBAFULZ-UHFFFAOYSA-N -1 3 304.404 2.993 20 0 DFADHM C[C@@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824882833 608195494 /nfs/dbraw/zinc/19/54/94/608195494.db2.gz CURQECGJAXTWME-NXEZZACHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824882833 608195495 /nfs/dbraw/zinc/19/54/95/608195495.db2.gz CURQECGJAXTWME-NXEZZACHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H]1C[C@H](CNc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824882829 608195530 /nfs/dbraw/zinc/19/55/30/608195530.db2.gz CRQPAIYAVQHMLW-VHSXEESVSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H]1C[C@H](CNc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824882829 608195531 /nfs/dbraw/zinc/19/55/31/608195531.db2.gz CRQPAIYAVQHMLW-VHSXEESVSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC12CCC2 ZINC000824961970 608196205 /nfs/dbraw/zinc/19/62/05/608196205.db2.gz LRJFKAGZCZAMJS-GFCCVEGCSA-N -1 3 324.432 2.767 20 0 DFADHM C[C@@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC12CCC2 ZINC000824961970 608196206 /nfs/dbraw/zinc/19/62/06/608196206.db2.gz LRJFKAGZCZAMJS-GFCCVEGCSA-N -1 3 324.432 2.767 20 0 DFADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC12CCC2 ZINC000824948384 608199871 /nfs/dbraw/zinc/19/98/71/608199871.db2.gz USLXQZWMDNQLCS-GFCCVEGCSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC000824948384 608199873 /nfs/dbraw/zinc/19/98/73/608199873.db2.gz USLXQZWMDNQLCS-GFCCVEGCSA-N -1 3 311.389 2.519 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2c2ccsc2)n1 ZINC000826274583 608273899 /nfs/dbraw/zinc/27/38/99/608273899.db2.gz WINJVXWDADYPDZ-CYBMUJFWSA-N -1 3 312.402 2.973 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2c2ccsc2)n1 ZINC000826274583 608273900 /nfs/dbraw/zinc/27/39/00/608273900.db2.gz WINJVXWDADYPDZ-CYBMUJFWSA-N -1 3 312.402 2.973 20 0 DFADHM Cc1occc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826342765 608277924 /nfs/dbraw/zinc/27/79/24/608277924.db2.gz YTGNCJKBIDZGCJ-UHFFFAOYSA-N -1 3 310.361 2.654 20 0 DFADHM Cc1occc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826342765 608277926 /nfs/dbraw/zinc/27/79/26/608277926.db2.gz YTGNCJKBIDZGCJ-UHFFFAOYSA-N -1 3 310.361 2.654 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1nc(C)ccc1-c1nnn[n-]1)CC2 ZINC000826294547 608285440 /nfs/dbraw/zinc/28/54/40/608285440.db2.gz UUZTWKWKRNQTAL-HNNXBMFYSA-N -1 3 306.373 2.978 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1nc(C)ccc1-c1nn[n-]n1)CC2 ZINC000826294547 608285442 /nfs/dbraw/zinc/28/54/42/608285442.db2.gz UUZTWKWKRNQTAL-HNNXBMFYSA-N -1 3 306.373 2.978 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCOc3ccccc32)n1 ZINC000826275807 608286737 /nfs/dbraw/zinc/28/67/37/608286737.db2.gz LAYRGYZLVDKULQ-GFCCVEGCSA-N -1 3 322.372 2.548 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCOc3ccccc32)n1 ZINC000826275807 608286738 /nfs/dbraw/zinc/28/67/38/608286738.db2.gz LAYRGYZLVDKULQ-GFCCVEGCSA-N -1 3 322.372 2.548 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2cc3ccccc3o2)n1 ZINC000826274520 608291897 /nfs/dbraw/zinc/29/18/97/608291897.db2.gz UEJDVOTYSAPGIM-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2cc3ccccc3o2)n1 ZINC000826274520 608291898 /nfs/dbraw/zinc/29/18/98/608291898.db2.gz UEJDVOTYSAPGIM-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)COCc2ccccc2)n1 ZINC000826274778 608292019 /nfs/dbraw/zinc/29/20/19/608292019.db2.gz FAQYZVMKPCRNCM-CYBMUJFWSA-N -1 3 324.388 2.587 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)COCc2ccccc2)n1 ZINC000826274778 608292020 /nfs/dbraw/zinc/29/20/20/608292020.db2.gz FAQYZVMKPCRNCM-CYBMUJFWSA-N -1 3 324.388 2.587 20 0 DFADHM CS[C@@H](C)CCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826225943 608293474 /nfs/dbraw/zinc/29/34/74/608293474.db2.gz OGPXHNKZMZCXFT-QWRGUYRKSA-N -1 3 319.434 2.576 20 0 DFADHM CS[C@@H](C)CCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826225943 608293476 /nfs/dbraw/zinc/29/34/76/608293476.db2.gz OGPXHNKZMZCXFT-QWRGUYRKSA-N -1 3 319.434 2.576 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000826274302 608295452 /nfs/dbraw/zinc/29/54/52/608295452.db2.gz MVRPBHFSIXLFPP-ZFWWWQNUSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000826274302 608295453 /nfs/dbraw/zinc/29/54/53/608295453.db2.gz MVRPBHFSIXLFPP-ZFWWWQNUSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCC(C)(C)[C@H]2CCCCO2)n1 ZINC000826275847 608296954 /nfs/dbraw/zinc/29/69/54/608296954.db2.gz MOKGFISEFIEKQJ-CYBMUJFWSA-N -1 3 316.409 2.577 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCC(C)(C)[C@H]2CCCCO2)n1 ZINC000826275847 608296956 /nfs/dbraw/zinc/29/69/56/608296956.db2.gz MOKGFISEFIEKQJ-CYBMUJFWSA-N -1 3 316.409 2.577 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000826275250 608301807 /nfs/dbraw/zinc/30/18/07/608301807.db2.gz UFJWJOFLATZYCH-UHFFFAOYSA-N -1 3 320.400 2.868 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000826275250 608301808 /nfs/dbraw/zinc/30/18/08/608301808.db2.gz UFJWJOFLATZYCH-UHFFFAOYSA-N -1 3 320.400 2.868 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCO[C@@H](C(C)(C)C)C2)n1 ZINC000826275917 608302240 /nfs/dbraw/zinc/30/22/40/608302240.db2.gz OKKRCSYNXGHNLS-WCQYABFASA-N -1 3 316.409 2.576 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCO[C@@H](C(C)(C)C)C2)n1 ZINC000826275917 608302243 /nfs/dbraw/zinc/30/22/43/608302243.db2.gz OKKRCSYNXGHNLS-WCQYABFASA-N -1 3 316.409 2.576 20 0 DFADHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@@H]1C ZINC000824962079 608303327 /nfs/dbraw/zinc/30/33/27/608303327.db2.gz NWKBUAIGNYBWRN-NEPJUHHUSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@@H]1C ZINC000824962079 608303329 /nfs/dbraw/zinc/30/33/29/608303329.db2.gz NWKBUAIGNYBWRN-NEPJUHHUSA-N -1 3 308.389 2.897 20 0 DFADHM Fc1ccc2c(c1)CCC[C@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000826375813 608306736 /nfs/dbraw/zinc/30/67/36/608306736.db2.gz CNYMFKPPYCLPCO-CQSZACIVSA-N -1 3 310.336 2.890 20 0 DFADHM Fc1ccc2c(c1)CCC[C@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000826375813 608306737 /nfs/dbraw/zinc/30/67/37/608306737.db2.gz CNYMFKPPYCLPCO-CQSZACIVSA-N -1 3 310.336 2.890 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(F)c1F ZINC000826170986 608321251 /nfs/dbraw/zinc/32/12/51/608321251.db2.gz XTGOVQNPZXGNIF-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(F)c1F ZINC000826170986 608321253 /nfs/dbraw/zinc/32/12/53/608321253.db2.gz XTGOVQNPZXGNIF-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Cc1scc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000826349977 608342962 /nfs/dbraw/zinc/34/29/62/608342962.db2.gz CCBAUOGGYBQFKI-UHFFFAOYSA-N -1 3 318.333 2.903 20 0 DFADHM Cc1scc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000826349977 608342964 /nfs/dbraw/zinc/34/29/64/608342964.db2.gz CCBAUOGGYBQFKI-UHFFFAOYSA-N -1 3 318.333 2.903 20 0 DFADHM CCN(C(=O)/C=C/C1CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367164 608343823 /nfs/dbraw/zinc/34/38/23/608343823.db2.gz KFENJJORRKUMRL-VMPITWQZSA-N -1 3 317.780 2.839 20 0 DFADHM CCN(C(=O)/C=C/C1CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367164 608343825 /nfs/dbraw/zinc/34/38/25/608343825.db2.gz KFENJJORRKUMRL-VMPITWQZSA-N -1 3 317.780 2.839 20 0 DFADHM OC1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCCCC1 ZINC000826506154 608376592 /nfs/dbraw/zinc/37/65/92/608376592.db2.gz NREJDHBGDBGYJW-UHFFFAOYSA-N -1 3 324.388 2.522 20 0 DFADHM OC1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCCCC1 ZINC000826506154 608376594 /nfs/dbraw/zinc/37/65/94/608376594.db2.gz NREJDHBGDBGYJW-UHFFFAOYSA-N -1 3 324.388 2.522 20 0 DFADHM C[C@@H]1CSC(SCc2cccc(-c3nnn[n-]3)c2F)=N1 ZINC000825014778 608399325 /nfs/dbraw/zinc/39/93/25/608399325.db2.gz XWFANNUXFFMKKB-SSDOTTSWSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@@H]1CSC(SCc2cccc(-c3nn[n-]n3)c2F)=N1 ZINC000825014778 608399327 /nfs/dbraw/zinc/39/93/27/608399327.db2.gz XWFANNUXFFMKKB-SSDOTTSWSA-N -1 3 309.395 2.730 20 0 DFADHM CO[C@H]1CCC[C@H]1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826146153 608414720 /nfs/dbraw/zinc/41/47/20/608414720.db2.gz QXXPXCJYQHGQGD-ZANVPECISA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@H]1CCC[C@H]1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826146153 608414721 /nfs/dbraw/zinc/41/47/21/608414721.db2.gz QXXPXCJYQHGQGD-ZANVPECISA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826145561 608414850 /nfs/dbraw/zinc/41/48/50/608414850.db2.gz IXYHPMHOWUAIKO-HIFRSBDPSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826145561 608414851 /nfs/dbraw/zinc/41/48/51/608414851.db2.gz IXYHPMHOWUAIKO-HIFRSBDPSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000826146141 608417267 /nfs/dbraw/zinc/41/72/67/608417267.db2.gz QUTPSLOTMYLAOD-IUODEOHRSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000826146141 608417269 /nfs/dbraw/zinc/41/72/69/608417269.db2.gz QUTPSLOTMYLAOD-IUODEOHRSA-N -1 3 324.388 2.642 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(F)c1 ZINC000826466717 608437239 /nfs/dbraw/zinc/43/72/39/608437239.db2.gz QGFGPICNIKARHN-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(F)c1 ZINC000826466717 608437240 /nfs/dbraw/zinc/43/72/40/608437240.db2.gz QGFGPICNIKARHN-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM C[C@@H]1CC(Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H](C)O1 ZINC000824892428 608444378 /nfs/dbraw/zinc/44/43/78/608444378.db2.gz ICUXRQDMJZEVAN-RKDXNWHRSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@@H]1CC(Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H](C)O1 ZINC000824892428 608444379 /nfs/dbraw/zinc/44/43/79/608444379.db2.gz ICUXRQDMJZEVAN-RKDXNWHRSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824929770 608449618 /nfs/dbraw/zinc/44/96/18/608449618.db2.gz YQYZKADTRZOHHT-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824929770 608449620 /nfs/dbraw/zinc/44/96/20/608449620.db2.gz YQYZKADTRZOHHT-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM CC1=C(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)CCC1 ZINC000824851680 608453208 /nfs/dbraw/zinc/45/32/08/608453208.db2.gz BXLIESHMJKVORR-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM CC1=C(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)CCC1 ZINC000824851680 608453209 /nfs/dbraw/zinc/45/32/09/608453209.db2.gz BXLIESHMJKVORR-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM CC[C@@H](C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825051381 608483055 /nfs/dbraw/zinc/48/30/55/608483055.db2.gz OGOGCAGJCSSULZ-GFCCVEGCSA-N -1 3 311.389 2.529 20 0 DFADHM CC[C@@H](C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825051381 608483056 /nfs/dbraw/zinc/48/30/56/608483056.db2.gz OGOGCAGJCSSULZ-GFCCVEGCSA-N -1 3 311.389 2.529 20 0 DFADHM CC1(C)C[C@@H]1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824796144 608485913 /nfs/dbraw/zinc/48/59/13/608485913.db2.gz MEKLRIMDVZACPN-OAHLLOKOSA-N -1 3 323.400 2.529 20 0 DFADHM CC1(C)C[C@@H]1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824796144 608485914 /nfs/dbraw/zinc/48/59/14/608485914.db2.gz MEKLRIMDVZACPN-OAHLLOKOSA-N -1 3 323.400 2.529 20 0 DFADHM CC1(C)CC[C@@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000824803047 608554397 /nfs/dbraw/zinc/55/43/97/608554397.db2.gz SAMLWNQMUDDSEZ-SBDDDAINSA-N -1 3 311.389 2.575 20 0 DFADHM CC1(C)CC[C@@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000824803047 608554398 /nfs/dbraw/zinc/55/43/98/608554398.db2.gz SAMLWNQMUDDSEZ-SBDDDAINSA-N -1 3 311.389 2.575 20 0 DFADHM CCCCCCNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825271392 608572006 /nfs/dbraw/zinc/57/20/06/608572006.db2.gz ITSHQLVAWGERCI-UHFFFAOYSA-N -1 3 307.785 2.830 20 0 DFADHM CCCCCCNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825271392 608572008 /nfs/dbraw/zinc/57/20/08/608572008.db2.gz ITSHQLVAWGERCI-UHFFFAOYSA-N -1 3 307.785 2.830 20 0 DFADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)F ZINC000824255376 608666828 /nfs/dbraw/zinc/66/68/28/608666828.db2.gz HKVWMQZZNHUZKJ-UHFFFAOYSA-N -1 3 319.384 2.599 20 0 DFADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)F ZINC000824255376 608666829 /nfs/dbraw/zinc/66/68/29/608666829.db2.gz HKVWMQZZNHUZKJ-UHFFFAOYSA-N -1 3 319.384 2.599 20 0 DFADHM CC(=O)c1ccc(OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000824029481 608668806 /nfs/dbraw/zinc/66/88/06/608668806.db2.gz LFJOUSGFHOPQGL-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccc(OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000824029481 608668807 /nfs/dbraw/zinc/66/88/07/608668807.db2.gz LFJOUSGFHOPQGL-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM O=C(Oc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826468014 608673188 /nfs/dbraw/zinc/67/31/88/608673188.db2.gz VYSBIPAWMVMYAJ-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826468014 608673189 /nfs/dbraw/zinc/67/31/89/608673189.db2.gz VYSBIPAWMVMYAJ-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM FC(F)(F)C1=CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826367131 608724227 /nfs/dbraw/zinc/72/42/27/608724227.db2.gz NDIJNKLVTRTHGE-UHFFFAOYSA-N -1 3 315.324 2.623 20 0 DFADHM FC(F)(F)C1=CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826367131 608724229 /nfs/dbraw/zinc/72/42/29/608724229.db2.gz NDIJNKLVTRTHGE-UHFFFAOYSA-N -1 3 315.324 2.623 20 0 DFADHM CCc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825712673 608764498 /nfs/dbraw/zinc/76/44/98/608764498.db2.gz UTHGOQUDUACRSA-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM CCc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825712673 608764500 /nfs/dbraw/zinc/76/45/00/608764500.db2.gz UTHGOQUDUACRSA-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM CN(Cc1ccc(F)cc1Cl)c1cnccc1-c1nnn[n-]1 ZINC000825966219 608781028 /nfs/dbraw/zinc/78/10/28/608781028.db2.gz TUXPGQIETAIDHO-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1ccc(F)cc1Cl)c1cnccc1-c1nn[n-]n1 ZINC000825966219 608781033 /nfs/dbraw/zinc/78/10/33/608781033.db2.gz TUXPGQIETAIDHO-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CC(C)(CNc1cnccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000824161965 608785585 /nfs/dbraw/zinc/78/55/85/608785585.db2.gz BABHGRCOTBYMSM-UHFFFAOYSA-N -1 3 308.389 2.943 20 0 DFADHM CC(C)(CNc1cnccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000824161965 608785588 /nfs/dbraw/zinc/78/55/88/608785588.db2.gz BABHGRCOTBYMSM-UHFFFAOYSA-N -1 3 308.389 2.943 20 0 DFADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cnccc1-c1nnn[n-]1 ZINC000824899835 608786564 /nfs/dbraw/zinc/78/65/64/608786564.db2.gz PFYPBJQZIJHSRJ-DGCLKSJQSA-N -1 3 324.363 2.783 20 0 DFADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cnccc1-c1nn[n-]n1 ZINC000824899835 608786568 /nfs/dbraw/zinc/78/65/68/608786568.db2.gz PFYPBJQZIJHSRJ-DGCLKSJQSA-N -1 3 324.363 2.783 20 0 DFADHM CC(C)Oc1cccc(CN(C)c2cnccc2-c2nnn[n-]2)c1 ZINC000824334177 608795918 /nfs/dbraw/zinc/79/59/18/608795918.db2.gz QGTSLWQDLCFBIS-UHFFFAOYSA-N -1 3 324.388 2.685 20 0 DFADHM CC(C)Oc1cccc(CN(C)c2cnccc2-c2nn[n-]n2)c1 ZINC000824334177 608795921 /nfs/dbraw/zinc/79/59/21/608795921.db2.gz QGTSLWQDLCFBIS-UHFFFAOYSA-N -1 3 324.388 2.685 20 0 DFADHM COc1ccc(C[C@H](C)CNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826191446 608796357 /nfs/dbraw/zinc/79/63/57/608796357.db2.gz HFZHHFFOXGXWRA-LBPRGKRZSA-N -1 3 324.388 2.561 20 0 DFADHM COc1ccc(C[C@H](C)CNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826191446 608796358 /nfs/dbraw/zinc/79/63/58/608796358.db2.gz HFZHHFFOXGXWRA-LBPRGKRZSA-N -1 3 324.388 2.561 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCCc2cccs2)n1 ZINC000826262866 608796790 /nfs/dbraw/zinc/79/67/90/608796790.db2.gz BADFFEAGFQNXBZ-UHFFFAOYSA-N -1 3 314.418 2.985 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCCc2cccs2)n1 ZINC000826262866 608796794 /nfs/dbraw/zinc/79/67/94/608796794.db2.gz BADFFEAGFQNXBZ-UHFFFAOYSA-N -1 3 314.418 2.985 20 0 DFADHM Fc1cccc(NCCSCC(F)(F)F)c1-c1nnn[n-]1 ZINC000826377600 608800118 /nfs/dbraw/zinc/80/01/18/608800118.db2.gz YKUUCPUMZJKTHX-UHFFFAOYSA-N -1 3 321.303 2.713 20 0 DFADHM Fc1cccc(NCCSCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826377600 608800121 /nfs/dbraw/zinc/80/01/21/608800121.db2.gz YKUUCPUMZJKTHX-UHFFFAOYSA-N -1 3 321.303 2.713 20 0 DFADHM Cc1cccc(CN[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC000826298055 609135870 /nfs/dbraw/zinc/13/58/70/609135870.db2.gz BHUGTXPMEBVDCW-LLVKDONJSA-N -1 3 312.352 2.560 20 0 DFADHM c1sc(CN2CC3(CC3)c3ccccc32)cc1-c1nnn[n-]1 ZINC000826523588 609174889 /nfs/dbraw/zinc/17/48/89/609174889.db2.gz QVQNTJWWSHWTSR-UHFFFAOYSA-N -1 3 309.398 2.980 20 0 DFADHM c1sc(CN2CC3(CC3)c3ccccc32)cc1-c1nn[n-]n1 ZINC000826523588 609174891 /nfs/dbraw/zinc/17/48/91/609174891.db2.gz QVQNTJWWSHWTSR-UHFFFAOYSA-N -1 3 309.398 2.980 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CSCc1ccccn1 ZINC000826371955 609185989 /nfs/dbraw/zinc/18/59/89/609185989.db2.gz AKPMNXVFRZGHKG-UHFFFAOYSA-N -1 3 301.350 2.834 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CSCc1ccccn1 ZINC000826371955 609185991 /nfs/dbraw/zinc/18/59/91/609185991.db2.gz AKPMNXVFRZGHKG-UHFFFAOYSA-N -1 3 301.350 2.834 20 0 DFADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824243745 609208051 /nfs/dbraw/zinc/20/80/51/609208051.db2.gz NHKKRBSASWEPFH-YPMHNXCESA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824243745 609208052 /nfs/dbraw/zinc/20/80/52/609208052.db2.gz NHKKRBSASWEPFH-YPMHNXCESA-N -1 3 316.409 2.530 20 0 DFADHM CCC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000825242143 609208093 /nfs/dbraw/zinc/20/80/93/609208093.db2.gz JIRYUPKNRCSBMR-ZDUSSCGKSA-N -1 3 316.409 2.674 20 0 DFADHM CCC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000825242143 609208094 /nfs/dbraw/zinc/20/80/94/609208094.db2.gz JIRYUPKNRCSBMR-ZDUSSCGKSA-N -1 3 316.409 2.674 20 0 DFADHM C[C@@H](CCC1CCCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824402709 609212228 /nfs/dbraw/zinc/21/22/28/609212228.db2.gz YIKOJMJJUDBZIL-NSHDSACASA-N -1 3 316.409 2.674 20 0 DFADHM C[C@@H](CCC1CCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824402709 609212229 /nfs/dbraw/zinc/21/22/29/609212229.db2.gz YIKOJMJJUDBZIL-NSHDSACASA-N -1 3 316.409 2.674 20 0 DFADHM C[C@@H](NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cscn1 ZINC000824538165 609249436 /nfs/dbraw/zinc/24/94/36/609249436.db2.gz HYVZOTGKSKOKTN-SNVBAGLBSA-N -1 3 312.402 2.663 20 0 DFADHM C[C@@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cscn1 ZINC000824538165 609249437 /nfs/dbraw/zinc/24/94/37/609249437.db2.gz HYVZOTGKSKOKTN-SNVBAGLBSA-N -1 3 312.402 2.663 20 0 DFADHM CC(C)(C)c1nnc(NCc2cc(-c3nnn[n-]3)cs2)s1 ZINC000824141914 609266012 /nfs/dbraw/zinc/26/60/12/609266012.db2.gz OGJCGFHUVBRBTM-UHFFFAOYSA-N -1 3 321.435 2.689 20 0 DFADHM CC(C)(C)c1nnc(NCc2cc(-c3nn[n-]n3)cs2)s1 ZINC000824141914 609266013 /nfs/dbraw/zinc/26/60/13/609266013.db2.gz OGJCGFHUVBRBTM-UHFFFAOYSA-N -1 3 321.435 2.689 20 0 DFADHM CC[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(C)C ZINC000825133572 609289519 /nfs/dbraw/zinc/28/95/19/609289519.db2.gz NVWRUMCHODYEJF-LBPRGKRZSA-N -1 3 307.785 2.685 20 0 DFADHM CC[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(C)C ZINC000825133572 609289521 /nfs/dbraw/zinc/28/95/21/609289521.db2.gz NVWRUMCHODYEJF-LBPRGKRZSA-N -1 3 307.785 2.685 20 0 DFADHM CCC(CC)[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000825107863 609322260 /nfs/dbraw/zinc/32/22/60/609322260.db2.gz SBCHJTSRLXCLDN-ZIAGYGMSSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000825107863 609322261 /nfs/dbraw/zinc/32/22/61/609322261.db2.gz SBCHJTSRLXCLDN-ZIAGYGMSSA-N -1 3 316.409 2.657 20 0 DFADHM CN(C[C@H]1CCCC[C@H]1O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825908471 609325566 /nfs/dbraw/zinc/32/55/66/609325566.db2.gz IEOLZKOCIQFRKN-QMTHXVAHSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@H]1CCCC[C@H]1O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825908471 609325568 /nfs/dbraw/zinc/32/55/68/609325568.db2.gz IEOLZKOCIQFRKN-QMTHXVAHSA-N -1 3 321.812 2.507 20 0 DFADHM Cc1cc(Br)ccc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826256312 609329223 /nfs/dbraw/zinc/32/92/23/609329223.db2.gz CSXKVXDKCVOZNL-UHFFFAOYSA-N -1 3 318.178 2.787 20 0 DFADHM Cc1cc(Br)ccc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826256312 609329225 /nfs/dbraw/zinc/32/92/25/609329225.db2.gz CSXKVXDKCVOZNL-UHFFFAOYSA-N -1 3 318.178 2.787 20 0 DFADHM Cc1cnc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000826318385 609337864 /nfs/dbraw/zinc/33/78/64/609337864.db2.gz HBBOSMKQCMEOFL-SECBINFHSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1cnc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826318385 609337866 /nfs/dbraw/zinc/33/78/66/609337866.db2.gz HBBOSMKQCMEOFL-SECBINFHSA-N -1 3 318.381 2.622 20 0 DFADHM CN(C(=O)[C@H]1CCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825812940 609381051 /nfs/dbraw/zinc/38/10/51/609381051.db2.gz YBWVIEWGBVNYAY-NSHDSACASA-N -1 3 317.368 2.795 20 0 DFADHM CN(C(=O)[C@H]1CCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825812940 609381053 /nfs/dbraw/zinc/38/10/53/609381053.db2.gz YBWVIEWGBVNYAY-NSHDSACASA-N -1 3 317.368 2.795 20 0 DFADHM COC(=O)[C@@H](CC(C)(C)C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000826104264 609448460 /nfs/dbraw/zinc/44/84/60/609448460.db2.gz SVBCZHFBPGHDEL-GFCCVEGCSA-N -1 3 320.418 2.937 20 0 DFADHM COC(=O)[C@@H](CC(C)(C)C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000826104264 609448462 /nfs/dbraw/zinc/44/84/62/609448462.db2.gz SVBCZHFBPGHDEL-GFCCVEGCSA-N -1 3 320.418 2.937 20 0 DFADHM Cc1ccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c(C)c1 ZINC000826288777 609464612 /nfs/dbraw/zinc/46/46/12/609464612.db2.gz WJIHSTHMQPHZLM-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1ccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c(C)c1 ZINC000826288777 609464614 /nfs/dbraw/zinc/46/46/14/609464614.db2.gz WJIHSTHMQPHZLM-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM CCc1nnc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000825767003 609475895 /nfs/dbraw/zinc/47/58/95/609475895.db2.gz FRDZKYVYYHXPGH-UHFFFAOYSA-N -1 3 321.797 2.546 20 0 DFADHM CCc1nnc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000825767003 609475897 /nfs/dbraw/zinc/47/58/97/609475897.db2.gz FRDZKYVYYHXPGH-UHFFFAOYSA-N -1 3 321.797 2.546 20 0 DFADHM CO[C@@H]1Cc2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2C1 ZINC000826147268 609480928 /nfs/dbraw/zinc/48/09/28/609480928.db2.gz RJRZKQHUPBHLIP-QGZVFWFLSA-N -1 3 321.384 2.592 20 0 DFADHM CO[C@@H]1Cc2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2C1 ZINC000826147268 609480929 /nfs/dbraw/zinc/48/09/29/609480929.db2.gz RJRZKQHUPBHLIP-QGZVFWFLSA-N -1 3 321.384 2.592 20 0 DFADHM Cc1c(NCc2ccc3c(c2)OCCO3)cccc1-c1nnn[n-]1 ZINC000826242554 609487010 /nfs/dbraw/zinc/48/70/10/609487010.db2.gz UKSSNFWVNKNQKC-UHFFFAOYSA-N -1 3 323.356 2.558 20 0 DFADHM Cc1c(NCc2ccc3c(c2)OCCO3)cccc1-c1nn[n-]n1 ZINC000826242554 609487013 /nfs/dbraw/zinc/48/70/13/609487013.db2.gz UKSSNFWVNKNQKC-UHFFFAOYSA-N -1 3 323.356 2.558 20 0 DFADHM CCc1nnc(CSCc2ccccc2-c2nnn[n-]2)s1 ZINC000825768012 609487714 /nfs/dbraw/zinc/48/77/14/609487714.db2.gz YACAQKKSYRBWBZ-UHFFFAOYSA-N -1 3 318.431 2.714 20 0 DFADHM CCc1nnc(CSCc2ccccc2-c2nn[n-]n2)s1 ZINC000825768012 609487717 /nfs/dbraw/zinc/48/77/17/609487717.db2.gz YACAQKKSYRBWBZ-UHFFFAOYSA-N -1 3 318.431 2.714 20 0 DFADHM Fc1ccc2c(c1)CCN(Cc1cc(-c3nnn[n-]3)cs1)C2 ZINC000826376157 609487945 /nfs/dbraw/zinc/48/79/45/609487945.db2.gz QNGGFNRIZJWOLG-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1ccc2c(c1)CCN(Cc1cc(-c3nn[n-]n3)cs1)C2 ZINC000826376157 609487947 /nfs/dbraw/zinc/48/79/47/609487947.db2.gz QNGGFNRIZJWOLG-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Cc1c(NCc2ccc3c(c2)ncn3C)cccc1-c1nnn[n-]1 ZINC000826242433 609488971 /nfs/dbraw/zinc/48/89/71/609488971.db2.gz OJMYUECTKRDSMY-UHFFFAOYSA-N -1 3 319.372 2.674 20 0 DFADHM Cc1c(NCc2ccc3c(c2)ncn3C)cccc1-c1nn[n-]n1 ZINC000826242433 609488972 /nfs/dbraw/zinc/48/89/72/609488972.db2.gz OJMYUECTKRDSMY-UHFFFAOYSA-N -1 3 319.372 2.674 20 0 DFADHM CCc1nnc(CSCc2cccc(-c3nnn[n-]3)c2)s1 ZINC000825766520 609489736 /nfs/dbraw/zinc/48/97/36/609489736.db2.gz ADOJCDKVKQWQAW-UHFFFAOYSA-N -1 3 318.431 2.714 20 0 DFADHM CCc1nnc(CSCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000825766520 609489739 /nfs/dbraw/zinc/48/97/39/609489739.db2.gz ADOJCDKVKQWQAW-UHFFFAOYSA-N -1 3 318.431 2.714 20 0 DFADHM Cc1ncccc1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826331089 609491782 /nfs/dbraw/zinc/49/17/82/609491782.db2.gz UMHTYZJIOHZLRR-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM Cc1ncccc1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826331089 609491784 /nfs/dbraw/zinc/49/17/84/609491784.db2.gz UMHTYZJIOHZLRR-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM Cc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)nc1 ZINC000826288629 609493661 /nfs/dbraw/zinc/49/36/61/609493661.db2.gz PWSXCOUEJMBGIZ-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM Cc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)nc1 ZINC000826288629 609493663 /nfs/dbraw/zinc/49/36/63/609493663.db2.gz PWSXCOUEJMBGIZ-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM CN(C[C@H]1CC=CCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825908760 609495495 /nfs/dbraw/zinc/49/54/95/609495495.db2.gz LQUUYQFXBNIGRR-LBPRGKRZSA-N -1 3 312.377 2.687 20 0 DFADHM CN(C[C@H]1CC=CCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825908760 609495498 /nfs/dbraw/zinc/49/54/98/609495498.db2.gz LQUUYQFXBNIGRR-LBPRGKRZSA-N -1 3 312.377 2.687 20 0 DFADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826232106 609506388 /nfs/dbraw/zinc/50/63/88/609506388.db2.gz NKTRWIUKAAPFPE-JTQLQIEISA-N -1 3 311.320 2.748 20 0 DFADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826232106 609506390 /nfs/dbraw/zinc/50/63/90/609506390.db2.gz NKTRWIUKAAPFPE-JTQLQIEISA-N -1 3 311.320 2.748 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1CCC[C@@H]1C ZINC000826253621 609510137 /nfs/dbraw/zinc/51/01/37/609510137.db2.gz XJOYGIDGRUNJQT-IINYFYTJSA-N -1 3 300.362 2.655 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1CCC[C@@H]1C ZINC000826253621 609510139 /nfs/dbraw/zinc/51/01/39/609510139.db2.gz XJOYGIDGRUNJQT-IINYFYTJSA-N -1 3 300.362 2.655 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1c(F)cccc1F ZINC000826186023 609510751 /nfs/dbraw/zinc/51/07/51/609510751.db2.gz AUMHVVWRSQHSCV-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1c(F)cccc1F ZINC000826186023 609510753 /nfs/dbraw/zinc/51/07/53/609510753.db2.gz AUMHVVWRSQHSCV-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@H](C)C[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826237038 609518311 /nfs/dbraw/zinc/51/83/11/609518311.db2.gz LUFSIVDXASGYPW-DTORHVGOSA-N -1 3 306.801 2.706 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@H](C)C[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826237038 609518312 /nfs/dbraw/zinc/51/83/12/609518312.db2.gz LUFSIVDXASGYPW-DTORHVGOSA-N -1 3 306.801 2.706 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825051893 609521556 /nfs/dbraw/zinc/52/15/56/609521556.db2.gz UKYCRTQRABFBDR-NEPJUHHUSA-N -1 3 301.394 2.507 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825051893 609521558 /nfs/dbraw/zinc/52/15/58/609521558.db2.gz UKYCRTQRABFBDR-NEPJUHHUSA-N -1 3 301.394 2.507 20 0 DFADHM c1c(CS[C@@H]2CCCOC2)c(-c2nnn[n-]2)c2ccccn12 ZINC000826524692 609527599 /nfs/dbraw/zinc/52/75/99/609527599.db2.gz FUVVVFNKQWEMIB-GFCCVEGCSA-N -1 3 315.402 2.532 20 0 DFADHM c1c(CS[C@@H]2CCCOC2)c(-c2nn[n-]n2)c2ccccn12 ZINC000826524692 609527600 /nfs/dbraw/zinc/52/76/00/609527600.db2.gz FUVVVFNKQWEMIB-GFCCVEGCSA-N -1 3 315.402 2.532 20 0 DFADHM c1cc(OCCCS[C@@H]2CCCOC2)cc(-c2nnn[n-]2)c1 ZINC000826517409 609527651 /nfs/dbraw/zinc/52/76/51/609527651.db2.gz BLORLJKHASYDQI-CQSZACIVSA-N -1 3 320.418 2.548 20 0 DFADHM c1cc(OCCCS[C@@H]2CCCOC2)cc(-c2nn[n-]n2)c1 ZINC000826517409 609527652 /nfs/dbraw/zinc/52/76/52/609527652.db2.gz BLORLJKHASYDQI-CQSZACIVSA-N -1 3 320.418 2.548 20 0 DFADHM Cc1ccnc(N(Cc2ccccc2)C2CC2)c1-c1nnn[n-]1 ZINC000826309360 609529456 /nfs/dbraw/zinc/52/94/56/609529456.db2.gz MJYSWNSZHWCFMJ-UHFFFAOYSA-N -1 3 306.373 2.739 20 0 DFADHM Cc1ccnc(N(Cc2ccccc2)C2CC2)c1-c1nn[n-]n1 ZINC000826309360 609529458 /nfs/dbraw/zinc/52/94/58/609529458.db2.gz MJYSWNSZHWCFMJ-UHFFFAOYSA-N -1 3 306.373 2.739 20 0 DFADHM Cc1ccnc(NCC(C)(C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826312291 609531562 /nfs/dbraw/zinc/53/15/62/609531562.db2.gz AVMUAPAWBIJXGU-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1ccnc(NCC(C)(C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826312291 609531563 /nfs/dbraw/zinc/53/15/63/609531563.db2.gz AVMUAPAWBIJXGU-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1ccc(CCNc2ncc(Cl)c(C)c2-c2nnn[n-]2)o1 ZINC000826287689 609535072 /nfs/dbraw/zinc/53/50/72/609535072.db2.gz YXINSRNWBFUFNA-UHFFFAOYSA-N -1 3 318.768 2.780 20 0 DFADHM Cc1ccc(CCNc2ncc(Cl)c(C)c2-c2nn[n-]n2)o1 ZINC000826287689 609535074 /nfs/dbraw/zinc/53/50/74/609535074.db2.gz YXINSRNWBFUFNA-UHFFFAOYSA-N -1 3 318.768 2.780 20 0 DFADHM Cc1ccnc(NCc2ccc([C@@H]3C[C@H]3C)o2)c1-c1nnn[n-]1 ZINC000826314231 609538401 /nfs/dbraw/zinc/53/84/01/609538401.db2.gz MBVPMWFCTSGSFN-ZYHUDNBSSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1ccnc(NCc2ccc([C@@H]3C[C@H]3C)o2)c1-c1nn[n-]n1 ZINC000826314231 609538402 /nfs/dbraw/zinc/53/84/02/609538402.db2.gz MBVPMWFCTSGSFN-ZYHUDNBSSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1ccnc(NCc2cccc3cccnc32)c1-c1nnn[n-]1 ZINC000826314020 609543104 /nfs/dbraw/zinc/54/31/04/609543104.db2.gz BYRMGPXNQBIIBW-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1ccnc(NCc2cccc3cccnc32)c1-c1nn[n-]n1 ZINC000826314020 609543106 /nfs/dbraw/zinc/54/31/06/609543106.db2.gz BYRMGPXNQBIIBW-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1ccc2c(c1C)OC[C@H]2Nc1nccc(C)c1-c1nnn[n-]1 ZINC000826294639 609547068 /nfs/dbraw/zinc/54/70/68/609547068.db2.gz XXYXXAVLIASWPU-CYBMUJFWSA-N -1 3 322.372 2.733 20 0 DFADHM Cc1ccc2c(c1C)OC[C@H]2Nc1nccc(C)c1-c1nn[n-]n1 ZINC000826294639 609547071 /nfs/dbraw/zinc/54/70/71/609547071.db2.gz XXYXXAVLIASWPU-CYBMUJFWSA-N -1 3 322.372 2.733 20 0 DFADHM CC[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1nc(C)cs1 ZINC000825148347 609548194 /nfs/dbraw/zinc/54/81/94/609548194.db2.gz PTPVXPDLIROUEH-JTQLQIEISA-N -1 3 315.406 2.898 20 0 DFADHM CC[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1nc(C)cs1 ZINC000825148347 609548197 /nfs/dbraw/zinc/54/81/97/609548197.db2.gz PTPVXPDLIROUEH-JTQLQIEISA-N -1 3 315.406 2.898 20 0 DFADHM Cc1ccnc(N2CCC[C@]3(CC=CCC3)C2)c1-c1nnn[n-]1 ZINC000826311256 609554118 /nfs/dbraw/zinc/55/41/18/609554118.db2.gz YKYCDGXSGZSKHI-QGZVFWFLSA-N -1 3 310.405 2.897 20 0 DFADHM Cc1ccnc(N2CCC[C@]3(CC=CCC3)C2)c1-c1nn[n-]n1 ZINC000826311256 609554120 /nfs/dbraw/zinc/55/41/20/609554120.db2.gz YKYCDGXSGZSKHI-QGZVFWFLSA-N -1 3 310.405 2.897 20 0 DFADHM Cc1nc2c(s1)[C@H](Nc1ncccc1-c1nnn[n-]1)CCC2 ZINC000826328340 609566040 /nfs/dbraw/zinc/56/60/40/609566040.db2.gz OFFXGGRQUJCWKM-LLVKDONJSA-N -1 3 313.390 2.516 20 0 DFADHM Cc1nc2c(s1)[C@H](Nc1ncccc1-c1nn[n-]n1)CCC2 ZINC000826328340 609566043 /nfs/dbraw/zinc/56/60/43/609566043.db2.gz OFFXGGRQUJCWKM-LLVKDONJSA-N -1 3 313.390 2.516 20 0 DFADHM Cc1ccnc(N(C)Cc2cc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826309527 609567136 /nfs/dbraw/zinc/56/71/36/609567136.db2.gz RXOHJGBCUHEYKZ-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1ccnc(N(C)Cc2cc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826309527 609567139 /nfs/dbraw/zinc/56/71/39/609567139.db2.gz RXOHJGBCUHEYKZ-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1ccnc(NC[C@H](c2cccnc2)C(C)C)c1-c1nnn[n-]1 ZINC000826312386 609573517 /nfs/dbraw/zinc/57/35/17/609573517.db2.gz CONLPJYNDVCNRN-AWEZNQCLSA-N -1 3 323.404 2.817 20 0 DFADHM Cc1ccnc(NC[C@H](c2cccnc2)C(C)C)c1-c1nn[n-]n1 ZINC000826312386 609573520 /nfs/dbraw/zinc/57/35/20/609573520.db2.gz CONLPJYNDVCNRN-AWEZNQCLSA-N -1 3 323.404 2.817 20 0 DFADHM Cc1ccnc(N2CCC(CC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826310455 609577105 /nfs/dbraw/zinc/57/71/05/609577105.db2.gz WINWTSDMJFBFKB-UHFFFAOYSA-N -1 3 300.410 2.833 20 0 DFADHM Cc1ccnc(N2CCC(CC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826310455 609577107 /nfs/dbraw/zinc/57/71/07/609577107.db2.gz WINWTSDMJFBFKB-UHFFFAOYSA-N -1 3 300.410 2.833 20 0 DFADHM CC[C@H](CSC)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825128799 609585485 /nfs/dbraw/zinc/58/54/85/609585485.db2.gz YWFLWLQRPMRDPU-MRVPVSSYSA-N -1 3 312.830 2.777 20 0 DFADHM CC[C@H](CSC)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825128799 609585487 /nfs/dbraw/zinc/58/54/87/609585487.db2.gz YWFLWLQRPMRDPU-MRVPVSSYSA-N -1 3 312.830 2.777 20 0 DFADHM C[C@H]1C[C@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000824877631 609587965 /nfs/dbraw/zinc/58/79/65/609587965.db2.gz ZKFUMTTZSFFLMB-IMRBUKKESA-N -1 3 313.405 2.902 20 0 DFADHM C[C@H]1C[C@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824877631 609587967 /nfs/dbraw/zinc/58/79/67/609587967.db2.gz ZKFUMTTZSFFLMB-IMRBUKKESA-N -1 3 313.405 2.902 20 0 DFADHM COc1ccc2c(c1)CC[C@H](Nc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000826211966 609590492 /nfs/dbraw/zinc/59/04/92/609590492.db2.gz BUDDBVDFAYNRAU-INIZCTEOSA-N -1 3 321.384 2.845 20 0 DFADHM C[C@@H]1C[C@H](CCNc2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000824885369 609596076 /nfs/dbraw/zinc/59/60/76/609596076.db2.gz SISZSJGTWFJGNM-NXEZZACHSA-N -1 3 323.347 2.762 20 0 DFADHM C[C@@H]1C[C@H](CCNc2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824885369 609596077 /nfs/dbraw/zinc/59/60/77/609596077.db2.gz SISZSJGTWFJGNM-NXEZZACHSA-N -1 3 323.347 2.762 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@H](C(C)(C)C)C2)n1 ZINC000826262375 609602554 /nfs/dbraw/zinc/60/25/54/609602554.db2.gz NFOZHXUVVDOPLZ-LBPRGKRZSA-N -1 3 300.410 2.751 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@H](C(C)(C)C)C2)n1 ZINC000826262375 609602555 /nfs/dbraw/zinc/60/25/55/609602555.db2.gz NFOZHXUVVDOPLZ-LBPRGKRZSA-N -1 3 300.410 2.751 20 0 DFADHM Cc1cc(F)ccc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826269039 609607308 /nfs/dbraw/zinc/60/73/08/609607308.db2.gz YGWSQIKRKSFXLQ-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1cc(F)ccc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826269039 609607309 /nfs/dbraw/zinc/60/73/09/609607309.db2.gz YGWSQIKRKSFXLQ-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM CN(C[C@@H]1CC=CCC1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825907909 609608113 /nfs/dbraw/zinc/60/81/13/609608113.db2.gz DANOVGGVJMURDK-GCZGRYASSA-N -1 3 323.400 2.695 20 0 DFADHM CN(C[C@@H]1CC=CCC1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825907909 609608115 /nfs/dbraw/zinc/60/81/15/609608115.db2.gz DANOVGGVJMURDK-GCZGRYASSA-N -1 3 323.400 2.695 20 0 DFADHM Cc1occc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826342272 609614960 /nfs/dbraw/zinc/61/49/60/609614960.db2.gz DJDTUPXTZNJXLA-UHFFFAOYSA-N -1 3 318.720 2.779 20 0 DFADHM Cc1occc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826342272 609614963 /nfs/dbraw/zinc/61/49/63/609614963.db2.gz DJDTUPXTZNJXLA-UHFFFAOYSA-N -1 3 318.720 2.779 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1C[C@H]1C1CC1 ZINC000826465521 609618199 /nfs/dbraw/zinc/61/81/99/609618199.db2.gz QLCXZCKZYAIAIN-AAEUAGOBSA-N -1 3 318.764 2.609 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1C[C@H]1C1CC1 ZINC000826465521 609618201 /nfs/dbraw/zinc/61/82/01/609618201.db2.gz QLCXZCKZYAIAIN-AAEUAGOBSA-N -1 3 318.764 2.609 20 0 DFADHM C[C@H]1CC[C@@H](C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000824907246 609618612 /nfs/dbraw/zinc/61/86/12/609618612.db2.gz HFICJKUJSFOMQM-VHSXEESVSA-N -1 3 320.780 3.000 20 0 DFADHM C[C@H]1CC[C@@H](C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000824907246 609618613 /nfs/dbraw/zinc/61/86/13/609618613.db2.gz HFICJKUJSFOMQM-VHSXEESVSA-N -1 3 320.780 3.000 20 0 DFADHM Cc1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1F ZINC000826300168 609621746 /nfs/dbraw/zinc/62/17/46/609621746.db2.gz KYPBTNPZVDDAFC-MDZDMXLPSA-N -1 3 324.315 2.933 20 0 DFADHM Cc1cccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1F ZINC000826300168 609621747 /nfs/dbraw/zinc/62/17/47/609621747.db2.gz KYPBTNPZVDDAFC-MDZDMXLPSA-N -1 3 324.315 2.933 20 0 DFADHM Cc1cccc(OC(=O)c2sccc2-c2nnn[n-]2)c1F ZINC000826300497 609621768 /nfs/dbraw/zinc/62/17/68/609621768.db2.gz XEXYSSPYOHNSCU-UHFFFAOYSA-N -1 3 304.306 2.595 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000825051294 609638984 /nfs/dbraw/zinc/63/89/84/609638984.db2.gz NFPDNIRLBQJOIU-MDZDMXLPSA-N -1 3 304.325 2.795 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000825051294 609638986 /nfs/dbraw/zinc/63/89/86/609638986.db2.gz NFPDNIRLBQJOIU-MDZDMXLPSA-N -1 3 304.325 2.795 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000825051468 609639072 /nfs/dbraw/zinc/63/90/72/609639072.db2.gz QALVOJXZPFHSRL-MDZDMXLPSA-N -1 3 304.325 2.795 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000825051468 609639073 /nfs/dbraw/zinc/63/90/73/609639073.db2.gz QALVOJXZPFHSRL-MDZDMXLPSA-N -1 3 304.325 2.795 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000825051432 609639277 /nfs/dbraw/zinc/63/92/77/609639277.db2.gz PDVRALFPWGLNOP-ZHACJKMWSA-N -1 3 316.361 2.665 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000825051432 609639278 /nfs/dbraw/zinc/63/92/78/609639278.db2.gz PDVRALFPWGLNOP-ZHACJKMWSA-N -1 3 316.361 2.665 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000825060864 609640889 /nfs/dbraw/zinc/64/08/89/609640889.db2.gz UBTZXVBHDGRLKE-QWRGUYRKSA-N -1 3 318.377 2.601 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000825060864 609640891 /nfs/dbraw/zinc/64/08/91/609640891.db2.gz UBTZXVBHDGRLKE-QWRGUYRKSA-N -1 3 318.377 2.601 20 0 DFADHM [O-]c1cc(F)cc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278313638 214084680 /nfs/dbraw/zinc/08/46/80/214084680.db2.gz FJJBPRDUKUBHAV-GWCFXTLKSA-N -1 3 307.287 2.667 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC(Oc2ncccc2F)CC1 ZINC000278321750 214088984 /nfs/dbraw/zinc/08/89/84/214088984.db2.gz KNJGXMPJFCLCCJ-UHFFFAOYSA-N -1 3 316.332 2.610 20 0 DFADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(C(F)F)c1 ZINC000076937007 185058041 /nfs/dbraw/zinc/05/80/41/185058041.db2.gz DXVZZIICJXWHMQ-LBPRGKRZSA-N -1 3 305.346 2.935 20 0 DFADHM Cc1cnc(C(C)(C)NC(=O)c2cc(F)cc3nn[n-]c32)s1 ZINC000278381093 214129871 /nfs/dbraw/zinc/12/98/71/214129871.db2.gz NBQGYLNGCBMPIB-UHFFFAOYSA-N -1 3 319.365 2.527 20 0 DFADHM Cc1cnc(C(C)(C)NC(=O)c2cc(F)cc3[n-]nnc32)s1 ZINC000278381093 214129875 /nfs/dbraw/zinc/12/98/75/214129875.db2.gz NBQGYLNGCBMPIB-UHFFFAOYSA-N -1 3 319.365 2.527 20 0 DFADHM Cc1cnc(C(C)(C)NC(=O)c2cc(F)cc3n[n-]nc32)s1 ZINC000278381093 214129879 /nfs/dbraw/zinc/12/98/79/214129879.db2.gz NBQGYLNGCBMPIB-UHFFFAOYSA-N -1 3 319.365 2.527 20 0 DFADHM C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccccc2[O-])CC1=O ZINC000096589841 185384227 /nfs/dbraw/zinc/38/42/27/185384227.db2.gz CYPSDHRRRXXZQA-DZGCQCFKSA-N -1 3 324.380 2.940 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000278439014 214153317 /nfs/dbraw/zinc/15/33/17/214153317.db2.gz SMMVMNPFIZUJIB-QWRGUYRKSA-N -1 3 323.698 2.573 20 0 DFADHM O=C(Nc1nc2c(s1)CCCC2)c1cc(F)cc2[n-]nnc21 ZINC000278500169 214193963 /nfs/dbraw/zinc/19/39/63/214193963.db2.gz AHAQPAZSYLTSJL-UHFFFAOYSA-N -1 3 317.349 2.685 20 0 DFADHM O=C(Nc1nc2c(s1)CCCC2)c1cc(F)cc2nn[n-]c21 ZINC000278500169 214193965 /nfs/dbraw/zinc/19/39/65/214193965.db2.gz AHAQPAZSYLTSJL-UHFFFAOYSA-N -1 3 317.349 2.685 20 0 DFADHM O=C(Nc1nc2c(s1)CCCC2)c1cc(F)cc2n[n-]nc21 ZINC000278500169 214193966 /nfs/dbraw/zinc/19/39/66/214193966.db2.gz AHAQPAZSYLTSJL-UHFFFAOYSA-N -1 3 317.349 2.685 20 0 DFADHM CC(C)(O)CO[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000278501672 214194905 /nfs/dbraw/zinc/19/49/05/214194905.db2.gz ALGBVAZLWWBOHO-WDEREUQCSA-N -1 3 318.200 2.916 20 0 DFADHM COC(=O)c1cnc(S[C@@H](C)c2cc(C)c(C(=O)OC)o2)[n-]1 ZINC000278702150 214338242 /nfs/dbraw/zinc/33/82/42/214338242.db2.gz QXWQFSYICYNCII-QMMMGPOBSA-N -1 3 324.358 2.738 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]CCc2ccccc2F)c1F ZINC000313219143 231122960 /nfs/dbraw/zinc/12/29/60/231122960.db2.gz OTXVWJIMDZXTJE-UHFFFAOYSA-N -1 3 311.353 2.794 20 0 DFADHM Cc1ccc(NC([O-])=NOCC(C)(C)O)cc1Br ZINC000278722935 214354450 /nfs/dbraw/zinc/35/44/50/214354450.db2.gz VFXDIKLQDOANFB-UHFFFAOYSA-N -1 3 317.183 2.582 20 0 DFADHM Cc1ccc(NC(=O)[N-]OCC(C)(C)O)cc1Br ZINC000278722935 214354454 /nfs/dbraw/zinc/35/44/54/214354454.db2.gz VFXDIKLQDOANFB-UHFFFAOYSA-N -1 3 317.183 2.582 20 0 DFADHM O=c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c[nH]1 ZINC000315367559 231140377 /nfs/dbraw/zinc/14/03/77/231140377.db2.gz QVPGQYYCALJHTQ-UHFFFAOYSA-N -1 3 318.276 2.607 20 0 DFADHM CSC1(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000278756058 214378433 /nfs/dbraw/zinc/37/84/33/214378433.db2.gz NRQHNEVCZGXKBR-UHFFFAOYSA-N -1 3 309.815 2.653 20 0 DFADHM COC(C)(C)CC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000278777911 214394368 /nfs/dbraw/zinc/39/43/68/214394368.db2.gz VPNWWRSAERPTII-UHFFFAOYSA-N -1 3 310.304 2.504 20 0 DFADHM COC(C)(C)CC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000278777911 214394372 /nfs/dbraw/zinc/39/43/72/214394372.db2.gz VPNWWRSAERPTII-UHFFFAOYSA-N -1 3 310.304 2.504 20 0 DFADHM COC(C)(C)CC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000278777911 214394375 /nfs/dbraw/zinc/39/43/75/214394375.db2.gz VPNWWRSAERPTII-UHFFFAOYSA-N -1 3 310.304 2.504 20 0 DFADHM O=C(C1CC1)N1CCC(NCc2cccc([O-])c2Cl)CC1 ZINC000328237972 231228931 /nfs/dbraw/zinc/22/89/31/231228931.db2.gz QGPFSRUWGPXKGB-UHFFFAOYSA-N -1 3 308.809 2.536 20 0 DFADHM CCN(Cc1cnn(C)c1)Cc1cccc([O-])c1Br ZINC000459326492 299081011 /nfs/dbraw/zinc/08/10/11/299081011.db2.gz MXBFTSBTSUCWKI-UHFFFAOYSA-N -1 3 324.222 2.910 20 0 DFADHM CCc1cccc(C(=O)N[C@@H](C)COCC(F)(F)F)c1[O-] ZINC000081776869 398369654 /nfs/dbraw/zinc/36/96/54/398369654.db2.gz AZRRGYMGFOGUNP-VIFPVBQESA-N -1 3 305.296 2.652 20 0 DFADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CCS1 ZINC000459343932 299083958 /nfs/dbraw/zinc/08/39/58/299083958.db2.gz UCSVCPPYQFANMT-GFCCVEGCSA-N -1 3 301.415 2.787 20 0 DFADHM O=c1cc(CN2CCc3cc(F)c(F)cc32)nc(C2CC2)[n-]1 ZINC000459344724 299084149 /nfs/dbraw/zinc/08/41/49/299084149.db2.gz HURVTVOBOHGXAW-UHFFFAOYSA-N -1 3 303.312 2.901 20 0 DFADHM CC(C)C[C@H](C(=O)Nc1cc(F)ccc1[O-])N1CCCCC1=O ZINC000088403518 185248778 /nfs/dbraw/zinc/24/87/78/185248778.db2.gz IJFWFGKSKWNXPD-CQSZACIVSA-N -1 3 322.380 2.897 20 0 DFADHM C[C@H](O)C[C@@H]1CCCN1Cc1cccc([O-])c1Br ZINC000459347992 299084824 /nfs/dbraw/zinc/08/48/24/299084824.db2.gz QMTBQSGYSWLIDM-JQWIXIFHSA-N -1 3 314.223 2.890 20 0 DFADHM O=S(=O)([N-]CC1(c2ccccc2)CC1)c1ccc(F)cc1F ZINC000011901515 398384693 /nfs/dbraw/zinc/38/46/93/398384693.db2.gz PDKRIASXMXAYCR-UHFFFAOYSA-N -1 3 323.364 2.975 20 0 DFADHM CC[C@H](O)CCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294919562 529691743 /nfs/dbraw/zinc/69/17/43/529691743.db2.gz KRZOSZJZYAVCJY-HNNXBMFYSA-N -1 3 301.386 2.755 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2c(C)nn(CCOC)c2C)c1 ZINC000092424340 185317615 /nfs/dbraw/zinc/31/76/15/185317615.db2.gz DIKIOXIRMHDTKY-UHFFFAOYSA-N -1 3 317.389 2.667 20 0 DFADHM O=S(=O)([N-]CC1(c2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC000014098542 398388718 /nfs/dbraw/zinc/38/87/18/398388718.db2.gz NONHPUJJVZSJFU-UHFFFAOYSA-N -1 3 323.364 2.975 20 0 DFADHM CN(Cc1cnccn1)Cc1cc([O-])ccc1Br ZINC000092591537 185327982 /nfs/dbraw/zinc/32/79/82/185327982.db2.gz IWASHMINZSPUKL-UHFFFAOYSA-N -1 3 308.179 2.577 20 0 DFADHM NC(=O)c1ccc(NCc2cc([O-])ccc2Br)cc1 ZINC000127835825 282958920 /nfs/dbraw/zinc/95/89/20/282958920.db2.gz QOITXQSKEHPOGS-UHFFFAOYSA-N -1 3 321.174 2.866 20 0 DFADHM Cc1c([C@@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)cnn1C ZINC000459397357 299095789 /nfs/dbraw/zinc/09/57/89/299095789.db2.gz DDXMMIREFGENRH-GFCCVEGCSA-N -1 3 323.400 2.742 20 0 DFADHM CC(C)(C)n1cc(CSCc2cc(=O)[n-]c(C3CC3)n2)nn1 ZINC000596364981 398395406 /nfs/dbraw/zinc/39/54/06/398395406.db2.gz CSOCYBIFGHZWTE-UHFFFAOYSA-N -1 3 319.434 2.840 20 0 DFADHM CCN1CC[C@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000181394411 199290549 /nfs/dbraw/zinc/29/05/49/199290549.db2.gz KTNZMNSUURLAFI-CHWSQXEVSA-N -1 3 318.314 2.682 20 0 DFADHM CCCCC[C@H](CC)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000181442725 199297963 /nfs/dbraw/zinc/29/79/63/199297963.db2.gz FURICKHDSDBZSR-AWEZNQCLSA-N -1 3 320.433 2.845 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CC23CCCCC3)cc(OC)c1[O-] ZINC000181487128 199304853 /nfs/dbraw/zinc/30/48/53/199304853.db2.gz XTMKDYPOSNAADG-CQSZACIVSA-N -1 3 305.374 2.862 20 0 DFADHM CC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1c(C)noc1C ZINC000459408072 299099225 /nfs/dbraw/zinc/09/92/25/299099225.db2.gz QCWZGHQZUUMVGM-CYBMUJFWSA-N -1 3 302.378 2.905 20 0 DFADHM CC1=CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000584738949 398405532 /nfs/dbraw/zinc/40/55/32/398405532.db2.gz NJKNRWJHLQYPKC-UHFFFAOYSA-N -1 3 304.296 2.599 20 0 DFADHM CC(C)C[C@@H](CO)N(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459414197 299100993 /nfs/dbraw/zinc/10/09/93/299100993.db2.gz VCUKTVDQIWPENS-INIZCTEOSA-N -1 3 315.417 2.688 20 0 DFADHM O=C([O-])c1ccc(CN2CCC[C@@]3(CCCOC3)C2)cc1F ZINC000584793250 398413557 /nfs/dbraw/zinc/41/35/57/398413557.db2.gz REWUJVULXHEZJE-QGZVFWFLSA-N -1 3 307.365 2.917 20 0 DFADHM O=C(NCc1ccccc1Cn1cccn1)c1ccccc1[O-] ZINC000024624044 398432492 /nfs/dbraw/zinc/43/24/92/398432492.db2.gz JDQGCLVZPYPCHU-UHFFFAOYSA-N -1 3 307.353 2.567 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)C1CCCCC1 ZINC000585803271 398448209 /nfs/dbraw/zinc/44/82/09/398448209.db2.gz WIJDXCCOXQBSDT-ZDUSSCGKSA-N -1 3 300.424 2.929 20 0 DFADHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C(C)C)cc2)n1 ZINC000330713554 232012885 /nfs/dbraw/zinc/01/28/85/232012885.db2.gz RHANEIOCAWVFKR-JTQLQIEISA-N -1 3 309.391 2.541 20 0 DFADHM COC1(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)CCC1 ZINC000272743949 210149291 /nfs/dbraw/zinc/14/92/91/210149291.db2.gz WRKNLSRHKRUJIP-UHFFFAOYSA-N -1 3 305.271 2.742 20 0 DFADHM [O-]c1cccc(CN2CCOCC3(CC3)C2)c1Br ZINC000459457313 299111622 /nfs/dbraw/zinc/11/16/22/299111622.db2.gz GBLQKDSZZCQCAT-UHFFFAOYSA-N -1 3 312.207 2.767 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)[n-]1 ZINC000586811835 398464080 /nfs/dbraw/zinc/46/40/80/398464080.db2.gz RVEAPSYYGNKGFM-SFYZADRCSA-N -1 3 319.283 2.504 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c[n-]1 ZINC000586811835 398464086 /nfs/dbraw/zinc/46/40/86/398464086.db2.gz RVEAPSYYGNKGFM-SFYZADRCSA-N -1 3 319.283 2.504 20 0 DFADHM COC(=O)[C@@H](CC(C)C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280098180 398459367 /nfs/dbraw/zinc/45/93/67/398459367.db2.gz WZUDSQDUHBOEQZ-OAHLLOKOSA-N -1 3 315.369 2.863 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000028327284 398472455 /nfs/dbraw/zinc/47/24/55/398472455.db2.gz NUNGWABBRCUPQA-WCBMZHEXSA-N -1 3 324.229 2.839 20 0 DFADHM COc1ccc(NC(=O)[C@H](C)[S@@](=O)c2ccc([O-])cc2)cc1 ZINC000108083152 185500380 /nfs/dbraw/zinc/50/03/80/185500380.db2.gz FPWRRCZITHGFJY-SAHAZLINSA-N -1 3 319.382 2.536 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000028326633 398472783 /nfs/dbraw/zinc/47/27/83/398472783.db2.gz AMKBNBSVDDJHMH-PELKAZGASA-N -1 3 324.229 2.839 20 0 DFADHM N#Cc1c([N-]C(=O)c2ccc(Br)o2)n[nH]c1C1CC1 ZINC000290420462 398476024 /nfs/dbraw/zinc/47/60/24/398476024.db2.gz JOMOZBDFQPYGSR-UHFFFAOYSA-N -1 3 321.134 2.767 20 0 DFADHM N#Cc1c([N-]C(=O)c2occc2Br)n[nH]c1C1CC1 ZINC000290334504 398476039 /nfs/dbraw/zinc/47/60/39/398476039.db2.gz FCCOWVORUAHSDJ-UHFFFAOYSA-N -1 3 321.134 2.767 20 0 DFADHM Cc1cc(C)n(CCCNC(=O)c2ccc(C)c(C)c2[O-])n1 ZINC000048678720 282385049 /nfs/dbraw/zinc/38/50/49/282385049.db2.gz MRCBLRXSDKQEMP-UHFFFAOYSA-N -1 3 301.390 2.642 20 0 DFADHM CC(=O)c1ncc(C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000413676022 295731419 /nfs/dbraw/zinc/73/14/19/295731419.db2.gz YBOYUBDPURYODL-UHFFFAOYSA-N -1 3 302.355 2.644 20 0 DFADHM CCOCC(C)(C)NCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459483664 299117658 /nfs/dbraw/zinc/11/76/58/299117658.db2.gz GDDZAMAGFQAOIE-UHFFFAOYSA-N -1 3 301.390 2.754 20 0 DFADHM O=S(=O)([N-]CCc1cc(F)cc(F)c1)c1ccccc1F ZINC000051630387 282398226 /nfs/dbraw/zinc/39/82/26/282398226.db2.gz ZLNWABQSLIKURN-UHFFFAOYSA-N -1 3 315.316 2.625 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)CC[C@H](C)OC)c1[O-] ZINC000588100521 398483313 /nfs/dbraw/zinc/48/33/13/398483313.db2.gz DWZAZSXBBFFSDY-QMMMGPOBSA-N -1 3 315.753 2.586 20 0 DFADHM COC(=O)c1cc([C@H](C)[S@@](=O)c2ccc([O-])cc2)oc1C ZINC000292303427 398483006 /nfs/dbraw/zinc/48/30/06/398483006.db2.gz KNQIYVNCJFXMSU-CHNSCGDPSA-N -1 3 308.355 2.949 20 0 DFADHM C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000029568308 398488181 /nfs/dbraw/zinc/48/81/81/398488181.db2.gz ZEWHRTKPXIBASR-YLSINNKHSA-N -1 3 310.353 2.549 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000272718423 210122811 /nfs/dbraw/zinc/12/28/11/210122811.db2.gz GMLUIISXHDGITM-ZDUSSCGKSA-N -1 3 313.357 2.672 20 0 DFADHM C[C@@H]1[C@H](C)N(Cc2cccc([O-])c2Br)CCN1C ZINC000459519550 299124156 /nfs/dbraw/zinc/12/41/56/299124156.db2.gz GHPRGJWWKZVGQU-MNOVXSKESA-N -1 3 313.239 2.679 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000029770511 398492178 /nfs/dbraw/zinc/49/21/78/398492178.db2.gz HTHPHUSTANDBQQ-JTQLQIEISA-N -1 3 312.325 2.672 20 0 DFADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000029998098 398494929 /nfs/dbraw/zinc/49/49/29/398494929.db2.gz DKNMQBLEOCNARZ-IUODEOHRSA-N -1 3 324.446 2.709 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCC2CCCCC2)cc1 ZINC000029999557 398495028 /nfs/dbraw/zinc/49/50/28/398495028.db2.gz GYROHEGMCCJXNG-UHFFFAOYSA-N -1 3 324.446 2.758 20 0 DFADHM C[C@@H]1[C@@H](C)N(Cc2cccc([O-])c2Br)CCN1C ZINC000459519547 299124654 /nfs/dbraw/zinc/12/46/54/299124654.db2.gz GHPRGJWWKZVGQU-GHMZBOCLSA-N -1 3 313.239 2.679 20 0 DFADHM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2cccc(OC)c2[O-])[nH]1 ZINC000277814826 213788269 /nfs/dbraw/zinc/78/82/69/213788269.db2.gz LICKFPNTIFBMCQ-NXEZZACHSA-N -1 3 318.377 2.523 20 0 DFADHM CC1(C)C[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C(C)(C)O1 ZINC000181853710 199362547 /nfs/dbraw/zinc/36/25/47/199362547.db2.gz CRXKAMDPVKAVQX-ZDUSSCGKSA-N -1 3 310.369 2.677 20 0 DFADHM CC(C)OCCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000181845118 199360679 /nfs/dbraw/zinc/36/06/79/199360679.db2.gz CNNJIUFZRXIMRI-UHFFFAOYSA-N -1 3 323.817 2.963 20 0 DFADHM CCc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2OC)ccc1[O-] ZINC000413875525 295746553 /nfs/dbraw/zinc/74/65/53/295746553.db2.gz AXWTUYFOHZKURH-AEFFLSMTSA-N -1 3 311.381 2.997 20 0 DFADHM O=C([O-])C[C@H]1CSCCN1Cc1ccc2ccccc2n1 ZINC000091132528 398510794 /nfs/dbraw/zinc/51/07/94/398510794.db2.gz NUSOXTWZNAOJQC-AWEZNQCLSA-N -1 3 302.399 2.627 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](CO)C(C)(C)C)c[n-]c12 ZINC000286825873 219184535 /nfs/dbraw/zinc/18/45/35/219184535.db2.gz YPVDLPWJOYXOQX-ZDUSSCGKSA-N -1 3 320.364 2.525 20 0 DFADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000068633193 398516209 /nfs/dbraw/zinc/51/62/09/398516209.db2.gz YZOVMYWNUVSNGP-NSHDSACASA-N -1 3 323.352 2.761 20 0 DFADHM COc1ccc(O[C@@H](C)CNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000272669902 210074703 /nfs/dbraw/zinc/07/47/03/210074703.db2.gz QCJVTLSMRXDFMO-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM [O-]c1cccc(CN2CC[C@H](n3cccn3)C2)c1Br ZINC000459558427 299133217 /nfs/dbraw/zinc/13/32/17/299133217.db2.gz NNTBWMZMQXWHEP-LBPRGKRZSA-N -1 3 322.206 2.798 20 0 DFADHM [O-]c1cccc(CN2CC[C@@H](CCCO)C2)c1Br ZINC000459562162 299135008 /nfs/dbraw/zinc/13/50/08/299135008.db2.gz OGIGSSJSPNMYGM-LLVKDONJSA-N -1 3 314.223 2.749 20 0 DFADHM CC(C)C1(c2ccccc2)CN(C(=O)c2csc(=O)[n-]2)C1 ZINC000413998933 295756373 /nfs/dbraw/zinc/75/63/73/295756373.db2.gz XWMDKZXCCTVZJU-UHFFFAOYSA-N -1 3 302.399 2.899 20 0 DFADHM CC(C)c1ccc(C(=O)NCCCOC[C@@H]2CCCO2)c([O-])c1 ZINC000071946600 282509021 /nfs/dbraw/zinc/50/90/21/282509021.db2.gz VLUSXAOGLXAGSP-HNNXBMFYSA-N -1 3 321.417 2.831 20 0 DFADHM CCc1cc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[O-] ZINC000291977077 222751984 /nfs/dbraw/zinc/75/19/84/222751984.db2.gz QMRAOZSSMHJOEL-AWEZNQCLSA-N -1 3 319.401 2.758 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](COc2ccccc2)C1 ZINC000272649632 210055902 /nfs/dbraw/zinc/05/59/02/210055902.db2.gz GUXUBEOJVILSRF-ZDUSSCGKSA-N -1 3 313.353 2.639 20 0 DFADHM COc1cc(C)c(CN2CCC[C@@H](CC(=O)[O-])C2)cc1OC ZINC000315843485 398527924 /nfs/dbraw/zinc/52/79/24/398527924.db2.gz HEWNZYBSWNIMCY-ZDUSSCGKSA-N -1 3 307.390 2.699 20 0 DFADHM COc1cc(C(=O)N2CCC(OC3CCCC3)CC2)ccc1[O-] ZINC000272646372 210049537 /nfs/dbraw/zinc/04/95/37/210049537.db2.gz ZGWNJKWBKNADHL-UHFFFAOYSA-N -1 3 319.401 2.965 20 0 DFADHM COc1cc(C(=O)N2CCO[C@@H](c3cccs3)C2)ccc1[O-] ZINC000272638781 210042490 /nfs/dbraw/zinc/04/24/90/210042490.db2.gz NDUIXLVNIOLRIU-CQSZACIVSA-N -1 3 319.382 2.676 20 0 DFADHM COC(=O)c1cc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)cn1C ZINC000414084401 295765507 /nfs/dbraw/zinc/76/55/07/295765507.db2.gz XCSQXPJDOYAVNB-VOTSOKGWSA-N -1 3 315.373 2.775 20 0 DFADHM COC(=O)c1cc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)c[nH]1 ZINC000414080486 295764990 /nfs/dbraw/zinc/76/49/90/295764990.db2.gz TVUMKAHYPMHKMX-WAYWQWQTSA-N -1 3 301.346 2.765 20 0 DFADHM Cc1nccnc1CCNCc1cccc([O-])c1Br ZINC000459582537 299140314 /nfs/dbraw/zinc/14/03/14/299140314.db2.gz DMVKKYLIBKFIKH-UHFFFAOYSA-N -1 3 322.206 2.585 20 0 DFADHM CCC[C@H](Cc1ccccc1)N(CCC)Cc1n[nH]c(=O)[n-]1 ZINC000091554768 398535385 /nfs/dbraw/zinc/53/53/85/398535385.db2.gz IZHMTYUIJCPHEA-OAHLLOKOSA-N -1 3 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ZINC000074271194 398736291 /nfs/dbraw/zinc/73/62/91/398736291.db2.gz ZLDWQKFVKPKUOE-UHFFFAOYSA-N -1 3 310.795 2.710 20 0 DFADHM Nc1nc(Cl)cc(Sc2nc(-c3cccs3)n[n-]2)n1 ZINC000074271194 398736294 /nfs/dbraw/zinc/73/62/94/398736294.db2.gz ZLDWQKFVKPKUOE-UHFFFAOYSA-N -1 3 310.795 2.710 20 0 DFADHM Nc1nc(Cl)cc(Sc2n[n-]c(-c3cccs3)n2)n1 ZINC000074271194 398736299 /nfs/dbraw/zinc/73/62/99/398736299.db2.gz ZLDWQKFVKPKUOE-UHFFFAOYSA-N -1 3 310.795 2.710 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1cc(F)cc(F)c1 ZINC000462495542 299226708 /nfs/dbraw/zinc/22/67/08/299226708.db2.gz PBIFCVVGTXNGPQ-LRDDRELGSA-N -1 3 323.364 2.874 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000462499813 299226766 /nfs/dbraw/zinc/22/67/66/299226766.db2.gz JYUPOKSWFRLLLG-LRDDRELGSA-N -1 3 323.364 2.874 20 0 DFADHM Cc1cccc(CS(=O)(=O)[N-]c2cnc(C(C)C)nc2)c1 ZINC000280323030 215539306 /nfs/dbraw/zinc/53/93/06/215539306.db2.gz PNUHMHHGTODKGD-UHFFFAOYSA-N -1 3 305.403 2.850 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000462499812 299226469 /nfs/dbraw/zinc/22/64/69/299226469.db2.gz JYUPOKSWFRLLLG-BLLLJJGKSA-N -1 3 323.364 2.874 20 0 DFADHM O=S(=O)(Cc1ccccc1Cl)[N-][C@@H]1COc2ccccc21 ZINC000074913321 191386182 /nfs/dbraw/zinc/38/61/82/191386182.db2.gz JLJZTRJBAONVNZ-CQSZACIVSA-N -1 3 323.801 2.893 20 0 DFADHM CCOc1nc2cc(C(=O)N3CC[C@H](OC)C[C@H]3C)ccc2[n-]1 ZINC000332613306 235198939 /nfs/dbraw/zinc/19/89/39/235198939.db2.gz VAHLWEZGFDSGSS-YPMHNXCESA-N -1 3 317.389 2.601 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CC[C@H](OC)C[C@H]3C)cc2[n-]1 ZINC000332613306 235198943 /nfs/dbraw/zinc/19/89/43/235198943.db2.gz VAHLWEZGFDSGSS-YPMHNXCESA-N -1 3 317.389 2.601 20 0 DFADHM Cc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)c(=O)n(C)c1 ZINC000332617058 235203514 /nfs/dbraw/zinc/20/35/14/235203514.db2.gz QJJIOWRGTMAYKT-UHFFFAOYSA-N -1 3 312.369 2.530 20 0 DFADHM CCC[C@@H]([N-]S(=O)(=O)C[C@@H](C)CCC)C(=O)OC(C)(C)C ZINC000462683284 299229482 /nfs/dbraw/zinc/22/94/82/299229482.db2.gz 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Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc3[n-]nnc31)[C@H](C)C2 ZINC000119140697 398774660 /nfs/dbraw/zinc/77/46/60/398774660.db2.gz NRLIODCUUALZEG-BZNIZROVSA-N -1 3 306.369 2.930 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc3n[n-]nc31)[C@H](C)C2 ZINC000119140697 398774662 /nfs/dbraw/zinc/77/46/62/398774662.db2.gz NRLIODCUUALZEG-BZNIZROVSA-N -1 3 306.369 2.930 20 0 DFADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000134710810 283197239 /nfs/dbraw/zinc/19/72/39/283197239.db2.gz NDLFBTOLJGVQLG-ZBEGNZNMSA-N -1 3 300.362 2.855 20 0 DFADHM O=C(NCCc1ccc(F)cc1)NCc1ccc([O-])c(F)c1 ZINC000121447083 398787521 /nfs/dbraw/zinc/78/75/21/398787521.db2.gz MUIPPAMCMCOMHV-UHFFFAOYSA-N -1 3 306.312 2.712 20 0 DFADHM COCCOC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000075196361 398790344 /nfs/dbraw/zinc/79/03/44/398790344.db2.gz QAAYNZWNEYZFCJ-AWEZNQCLSA-N -1 3 321.417 2.641 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(F)c(Cl)c1 ZINC000135012213 283205606 /nfs/dbraw/zinc/20/56/06/283205606.db2.gz 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ZINC000178748736 198923572 /nfs/dbraw/zinc/92/35/72/198923572.db2.gz HEZCKODOAMMWPH-GFCCVEGCSA-N -1 3 303.280 2.822 20 0 DFADHM COc1ccc(C(=O)N2CCc3c(F)cc(F)cc3C2)c([O-])c1 ZINC000151431328 283284430 /nfs/dbraw/zinc/28/44/30/283284430.db2.gz IOOZTYRDWXNBNA-UHFFFAOYSA-N -1 3 319.307 2.878 20 0 DFADHM O=S(=O)([N-]CCC1CC(F)(F)C1)c1ccc(F)c(F)c1 ZINC000416502286 295951048 /nfs/dbraw/zinc/95/10/48/295951048.db2.gz OXQMOMGNDUJJFR-UHFFFAOYSA-N -1 3 311.300 2.679 20 0 DFADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000416526475 295952484 /nfs/dbraw/zinc/95/24/84/295952484.db2.gz SHASLPMZCIZCKB-UHFFFAOYSA-N -1 3 321.389 2.757 20 0 DFADHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000416527453 295952580 /nfs/dbraw/zinc/95/25/80/295952580.db2.gz CDDMIYSXOLIMQR-LDYMZIIASA-N -1 3 324.229 2.839 20 0 DFADHM Cc1ccc(C[N-]S(=O)(=O)c2sccc2Cl)nc1C ZINC000416554445 295954321 /nfs/dbraw/zinc/95/43/21/295954321.db2.gz YQQQBJBNNNIEOD-UHFFFAOYSA-N -1 3 316.835 2.892 20 0 DFADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)CS1 ZINC000416589234 295956784 /nfs/dbraw/zinc/95/67/84/295956784.db2.gz LWUDRLCOESEQDM-IONNQARKSA-N -1 3 309.815 2.651 20 0 DFADHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000179646553 199069434 /nfs/dbraw/zinc/06/94/34/199069434.db2.gz CMHNQTAEMFXSNN-CYBMUJFWSA-N -1 3 322.380 2.897 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)[C@@H](O)C(C)C ZINC000416631684 295959591 /nfs/dbraw/zinc/95/95/91/295959591.db2.gz VJWQTDXBIMRHIN-OLZOCXBDSA-N -1 3 323.817 2.553 20 0 DFADHM Cc1ccc(CC[N-]S(=O)(=O)c2cn(C(C)C)cn2)c(C)c1 ZINC000152174596 283312566 /nfs/dbraw/zinc/31/25/66/283312566.db2.gz UUJYJEUDEXPSLB-UHFFFAOYSA-N -1 3 321.446 2.602 20 0 DFADHM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1ccc([O-])c(CC)c1 ZINC000598468381 398818468 /nfs/dbraw/zinc/81/84/68/398818468.db2.gz BVFWRYRTZFTUIL-QAPCUYQASA-N -1 3 319.401 2.806 20 0 DFADHM Cc1cc(C(=O)NCC2(C(=O)OC(C)(C)C)CCC2)ccc1[O-] ZINC000598500397 398824647 /nfs/dbraw/zinc/82/46/47/398824647.db2.gz 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Cc1ccccc1[C@H](CC(=O)[O-])NCc1cnn(CC(F)F)c1 ZINC000417569236 296031900 /nfs/dbraw/zinc/03/19/00/296031900.db2.gz LJRQLJBRRUHPIJ-AWEZNQCLSA-N -1 3 323.343 2.762 20 0 DFADHM O=C1CCCN1c1ccc(Cl)c(NC([O-])=NOCC2CC2)c1 ZINC000292787318 223246101 /nfs/dbraw/zinc/24/61/01/223246101.db2.gz XRFSLJFTUNQJGF-UHFFFAOYSA-N -1 3 323.780 2.930 20 0 DFADHM O=C([N-]OCC1CC1)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000292787318 223246103 /nfs/dbraw/zinc/24/61/03/223246103.db2.gz XRFSLJFTUNQJGF-UHFFFAOYSA-N -1 3 323.780 2.930 20 0 DFADHM CCCn1cc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cn1 ZINC000417573096 296032271 /nfs/dbraw/zinc/03/22/71/296032271.db2.gz ZSOMALHJZMOUBC-CZUORRHYSA-N -1 3 301.390 2.845 20 0 DFADHM C[C@@H](OC(C)(C)C)[C@H](NCc1cc(F)cc(F)c1)C(=O)[O-] ZINC000417584944 296033381 /nfs/dbraw/zinc/03/33/81/296033381.db2.gz NRZVBWKAIVPNLE-RNCFNFMXSA-N -1 3 301.333 2.711 20 0 DFADHM C[C@@H](NCc1c(F)cccc1Br)[C@H](C)C(=O)[O-] ZINC000417599998 296034315 /nfs/dbraw/zinc/03/43/15/296034315.db2.gz 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CC[C@@H]([N-]S(=O)(=O)CCC(C)(F)F)c1nc(C)cs1 ZINC000631906478 399524078 /nfs/dbraw/zinc/52/40/78/399524078.db2.gz NIKXILBOACPWRQ-SECBINFHSA-N -1 3 312.407 2.867 20 0 DFADHM Cc1cccc(C(=O)N[C@H](c2cccnc2)C(C)(C)CO)c1[O-] ZINC000616847428 399524488 /nfs/dbraw/zinc/52/44/88/399524488.db2.gz DXWCMOBOSZUJOC-MRXNPFEDSA-N -1 3 314.385 2.585 20 0 DFADHM CCC[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1F)OCC ZINC000625336699 399524933 /nfs/dbraw/zinc/52/49/33/399524933.db2.gz UIQVVJKLNDXOGO-LBPRGKRZSA-N -1 3 303.399 2.618 20 0 DFADHM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000270036568 208091168 /nfs/dbraw/zinc/09/11/68/208091168.db2.gz GVNDLBFUGVUFCZ-ZJUUUORDSA-N -1 3 311.765 2.964 20 0 DFADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]c3cnoc3)n2)n1 ZINC000624011027 399522229 /nfs/dbraw/zinc/52/22/29/399522229.db2.gz HKZMPNJJEYMVRM-UHFFFAOYSA-N -1 3 317.736 2.778 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629145246 399526136 /nfs/dbraw/zinc/52/61/36/399526136.db2.gz 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/nfs/dbraw/zinc/32/51/78/286325178.db2.gz JNSYFMQXLQSAPS-UHFFFAOYSA-N -1 3 318.760 2.934 20 0 DFADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2ccnnc2)s1 ZINC000352243870 286327414 /nfs/dbraw/zinc/32/74/14/286327414.db2.gz JCTYENFATNRQNY-UHFFFAOYSA-N -1 3 315.333 2.695 20 0 DFADHM CCC[C@]1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCOC1 ZINC000352328545 286344741 /nfs/dbraw/zinc/34/47/41/286344741.db2.gz HZPOWPVGQJHJLN-ZDUSSCGKSA-N -1 3 321.801 2.717 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H]2CSC[C@H]2C)sc1Cl ZINC000352346210 286349382 /nfs/dbraw/zinc/34/93/82/286349382.db2.gz QQLQORVNDHDICQ-SFYZADRCSA-N -1 3 311.881 2.740 20 0 DFADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnn2cccnc12 ZINC000352455572 286378521 /nfs/dbraw/zinc/37/85/21/286378521.db2.gz ODEKETXBTNDQQD-UHFFFAOYSA-N -1 3 322.246 2.706 20 0 DFADHM C[C@H](NC(=O)/C=C/c1cncc([O-])c1)c1nc2c(s1)CCC2 ZINC000493327170 299758116 /nfs/dbraw/zinc/75/81/16/299758116.db2.gz BKTVKHVDDCJTNB-PORFMDCZSA-N -1 3 315.398 2.623 20 0 DFADHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000352498521 286389136 /nfs/dbraw/zinc/38/91/36/286389136.db2.gz GJHMKVBDZYMGQR-JTQLQIEISA-N -1 3 322.883 2.554 20 0 DFADHM O=C(Cc1ccc(Cl)cc1Cl)NCc1ncccc1[O-] ZINC000352498581 286389438 /nfs/dbraw/zinc/38/94/38/286389438.db2.gz BUIUHVFYHVRWNO-UHFFFAOYSA-N -1 3 311.168 2.953 20 0 DFADHM CC(C)c1cccc(O[C@H](C)C(=O)NCc2ncccc2[O-])c1 ZINC000352501517 286390148 /nfs/dbraw/zinc/39/01/48/286390148.db2.gz OLFKYUDGBRAOCN-CYBMUJFWSA-N -1 3 314.385 2.994 20 0 DFADHM Cc1cc(C(=O)CCC(=O)NCc2ncccc2[O-])c(C)s1 ZINC000352501126 286390179 /nfs/dbraw/zinc/39/01/79/286390179.db2.gz MQFURBXKXRTJJD-UHFFFAOYSA-N -1 3 318.398 2.745 20 0 DFADHM Cc1cc(OCC(=O)NCc2ncccc2[O-])ccc1C(C)C ZINC000352502314 286390336 /nfs/dbraw/zinc/39/03/36/286390336.db2.gz SPDPMCMXSNBQQG-UHFFFAOYSA-N -1 3 314.385 2.914 20 0 DFADHM O=C(NCc1ncccc1[O-])c1cccc(Oc2ccncc2)c1 ZINC000352502489 286390346 /nfs/dbraw/zinc/39/03/46/286390346.db2.gz VIGIENZJPRZAER-UHFFFAOYSA-N -1 3 321.336 2.905 20 0 DFADHM COc1cc(CCC(=O)NCc2ncccc2[O-])ccc1Cl ZINC000352502732 286390399 /nfs/dbraw/zinc/39/03/99/286390399.db2.gz YBIGGWUODREFCR-UHFFFAOYSA-N -1 3 320.776 2.698 20 0 DFADHM CCCOc1cccnc1C(=O)[N-]c1nnc(CCC)s1 ZINC000428345122 296691636 /nfs/dbraw/zinc/69/16/36/296691636.db2.gz KSKJTZJWTKENLW-UHFFFAOYSA-N -1 3 306.391 2.927 20 0 DFADHM Cc1cc(C(=O)NCc2ncccc2[O-])ccc1Br ZINC000352510305 286393168 /nfs/dbraw/zinc/39/31/68/286393168.db2.gz SKVJHSMHNKFGDA-UHFFFAOYSA-N -1 3 321.174 2.788 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000352510578 286393210 /nfs/dbraw/zinc/39/32/10/286393210.db2.gz UDUKIVDTWUOJNC-STQMWFEESA-N -1 3 302.761 2.861 20 0 DFADHM Cc1cccc(OCCCC(=O)NCc2ncccc2[O-])c1 ZINC000352514601 286394435 /nfs/dbraw/zinc/39/44/35/286394435.db2.gz BNTCAWUIRKBZAH-UHFFFAOYSA-N -1 3 300.358 2.571 20 0 DFADHM O=C(NCc1ncccc1[O-])C1(c2cccc(F)c2)CCC1 ZINC000352515371 286394534 /nfs/dbraw/zinc/39/45/34/286394534.db2.gz GNBOPBMSNDEVMW-UHFFFAOYSA-N -1 3 300.333 2.664 20 0 DFADHM C[C@H](CSCc1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000352516941 286395036 /nfs/dbraw/zinc/39/50/36/286395036.db2.gz NMNZGDARAJUKOK-CYBMUJFWSA-N -1 3 316.426 2.973 20 0 DFADHM COc1ccc(CCC(=O)NCc2ncccc2[O-])cc1Cl ZINC000352517766 286395343 /nfs/dbraw/zinc/39/53/43/286395343.db2.gz RVIIUEPVBOCXMK-UHFFFAOYSA-N -1 3 320.776 2.698 20 0 DFADHM Cc1nc2cc(F)ccc2cc1C(=O)NCc1ncccc1[O-] ZINC000352518191 286395418 /nfs/dbraw/zinc/39/54/18/286395418.db2.gz VOESYGFQGASPAN-UHFFFAOYSA-N -1 3 311.316 2.713 20 0 DFADHM C[C@H](CC(=O)NCc1ncccc1[O-])c1ccc(F)cc1F ZINC000352505818 286391759 /nfs/dbraw/zinc/39/17/59/286391759.db2.gz BKUBPZYJYLIXBQ-SNVBAGLBSA-N -1 3 306.312 2.875 20 0 DFADHM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ncccc1[O-] ZINC000352506625 286391837 /nfs/dbraw/zinc/39/18/37/286391837.db2.gz HSZBBMOAKNDFCB-LLVKDONJSA-N -1 3 304.777 2.936 20 0 DFADHM O=C(CCc1nc2ccccc2s1)NCc1ncccc1[O-] ZINC000352506140 286391979 /nfs/dbraw/zinc/39/19/79/286391979.db2.gz DSFJPFBVRMUPHN-UHFFFAOYSA-N -1 3 313.382 2.646 20 0 DFADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F)C1CC1 ZINC000451985954 297909276 /nfs/dbraw/zinc/90/92/76/297909276.db2.gz IPRUGNXXMLIZMF-ISVAXAHUSA-N -1 3 321.801 2.571 20 0 DFADHM O=C(NC[C@@H](CO)CC1CCCC1)c1cc([O-])ccc1Cl ZINC000352816256 286474915 /nfs/dbraw/zinc/47/49/15/286474915.db2.gz NVVKEWLAWHZFEQ-LBPRGKRZSA-N -1 3 311.809 2.964 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1CCCO[C@H]1CC ZINC000428799654 296717131 /nfs/dbraw/zinc/71/71/31/296717131.db2.gz KHCWUORSCRSCJZ-MNOVXSKESA-N -1 3 324.377 2.557 20 0 DFADHM CCNc1ccc(Cl)cc1C(=O)NCc1ncccc1[O-] ZINC000352990771 286522177 /nfs/dbraw/zinc/52/21/77/286522177.db2.gz OTWZFLCOPZLAPQ-UHFFFAOYSA-N -1 3 305.765 2.802 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C)sc1Cl ZINC000353097138 286550679 /nfs/dbraw/zinc/55/06/79/286550679.db2.gz LZJHJTYKMIVQJE-KCJUWKMLSA-N -1 3 309.840 2.556 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@@]2(CCSC2)C1 ZINC000493524829 299793268 /nfs/dbraw/zinc/79/32/68/299793268.db2.gz QDCVEFIBTKKGDW-WOMSROEHSA-N -1 3 304.415 2.546 20 0 DFADHM CN(C)[C@@H](CNC(=O)c1cccc([O-])c1)c1c(F)cccc1F ZINC000182452277 158003576 /nfs/dbraw/zinc/00/35/76/158003576.db2.gz ZIBMNGLBSUJAOU-HNNXBMFYSA-N -1 3 320.339 2.703 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000182974814 158010911 /nfs/dbraw/zinc/01/09/11/158010911.db2.gz SNUGCZDEOOLEGI-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM COc1nnc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[n-]1 ZINC000182983742 158012764 /nfs/dbraw/zinc/01/27/64/158012764.db2.gz BYAMWMLKZYSKCL-UHFFFAOYSA-N -1 3 320.658 2.738 20 0 DFADHM COc1nc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[n-]1 ZINC000182983742 158012766 /nfs/dbraw/zinc/01/27/66/158012766.db2.gz BYAMWMLKZYSKCL-UHFFFAOYSA-N -1 3 320.658 2.738 20 0 DFADHM COc1n[n-]c(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000182983742 158012769 /nfs/dbraw/zinc/01/27/69/158012769.db2.gz BYAMWMLKZYSKCL-UHFFFAOYSA-N -1 3 320.658 2.738 20 0 DFADHM COc1nnc(NC(=O)c2cc(C(C)C)nc3ccccc32)[n-]1 ZINC000182981845 158012806 /nfs/dbraw/zinc/01/28/06/158012806.db2.gz LBPQEJNPMRLMMQ-UHFFFAOYSA-N -1 3 311.345 2.737 20 0 DFADHM COc1nc(NC(=O)c2cc(C(C)C)nc3ccccc32)n[n-]1 ZINC000182981845 158012809 /nfs/dbraw/zinc/01/28/09/158012809.db2.gz LBPQEJNPMRLMMQ-UHFFFAOYSA-N -1 3 311.345 2.737 20 0 DFADHM COc1n[n-]c(NC(=O)c2cc(C(C)C)nc3ccccc32)n1 ZINC000182981845 158012810 /nfs/dbraw/zinc/01/28/10/158012810.db2.gz LBPQEJNPMRLMMQ-UHFFFAOYSA-N -1 3 311.345 2.737 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)c1cnc(-c2ncccn2)s1 ZINC000183275241 158015398 /nfs/dbraw/zinc/01/53/98/158015398.db2.gz ZCKXJSTVDQSOSC-UHFFFAOYSA-N -1 3 316.317 2.697 20 0 DFADHM C[C@H](OCc1ccccc1)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000184046544 158027169 /nfs/dbraw/zinc/02/71/69/158027169.db2.gz BWWFFKPCEYTYSF-AWEZNQCLSA-N -1 3 322.368 2.811 20 0 DFADHM Cn1nc(C(=O)[N-]c2c(F)cccc2F)cc1OC(F)F ZINC000184879728 158039522 /nfs/dbraw/zinc/03/95/22/158039522.db2.gz LMVZSZUFNURWKB-UHFFFAOYSA-N -1 3 303.215 2.552 20 0 DFADHM COC(=O)c1cncc([N-]C(=O)c2c(F)ccc(F)c2F)c1 ZINC000184911540 158040055 /nfs/dbraw/zinc/04/00/55/158040055.db2.gz CIDHWZYHAVKCRP-UHFFFAOYSA-N -1 3 310.231 2.538 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)ccc1[O-] ZINC000353903353 158232732 /nfs/dbraw/zinc/23/27/32/158232732.db2.gz PNEAUKXDJVMCTM-NYHFZMIOSA-N -1 3 317.410 2.550 20 0 DFADHM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(F)ccc1[O-] ZINC000354877810 158240902 /nfs/dbraw/zinc/24/09/02/158240902.db2.gz IPLLZBYKJQIPQL-UHFFFAOYSA-N -1 3 317.242 2.694 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000355054697 158262110 /nfs/dbraw/zinc/26/21/10/158262110.db2.gz QDVWCSSANSWZIM-MELADBBJSA-N -1 3 312.435 2.929 20 0 DFADHM CCc1csc([N-]C(=O)c2cnc(-c3ncccn3)s2)n1 ZINC000355117503 158277528 /nfs/dbraw/zinc/27/75/28/158277528.db2.gz YUMPBDWDYFXQFU-UHFFFAOYSA-N -1 3 317.399 2.871 20 0 DFADHM Cc1cc(F)ccc1-c1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000356641658 158304762 /nfs/dbraw/zinc/30/47/62/158304762.db2.gz IZPPBSDPRSXMAT-UHFFFAOYSA-N -1 3 314.320 2.887 20 0 DFADHM CN(Cc1ccc(F)cc1F)C(=O)/C=C/c1cncc([O-])c1 ZINC000493615227 299800880 /nfs/dbraw/zinc/80/08/80/299800880.db2.gz RLXGPRJGBOMTDJ-GORDUTHDSA-N -1 3 304.296 2.737 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)[n-]c(=O)n1 ZINC000357059986 158359419 /nfs/dbraw/zinc/35/94/19/158359419.db2.gz OYQUDEAVWHMKKA-FEAKQIBJSA-N -1 3 309.369 2.809 20 0 DFADHM Cc1ccc(OCCCC(=O)Nc2ccncc2[O-])c(Cl)c1 ZINC000358342223 158371328 /nfs/dbraw/zinc/37/13/28/158371328.db2.gz SVTYAAHKVYISEY-UHFFFAOYSA-N -1 3 320.776 2.969 20 0 DFADHM CCc1ccc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)s1 ZINC000362097120 158482592 /nfs/dbraw/zinc/48/25/92/158482592.db2.gz LWXPMSHRXJZEIC-SSDOTTSWSA-N -1 3 301.355 2.930 20 0 DFADHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000455626658 298391489 /nfs/dbraw/zinc/39/14/89/298391489.db2.gz OONQXONEQZCOPQ-SJORKVTESA-N -1 3 318.417 2.606 20 0 DFADHM CCOc1ccc(NC(=O)c2c[n-]c(C(=O)OC)c2)c(C)c1 ZINC000431356252 296830004 /nfs/dbraw/zinc/83/00/04/296830004.db2.gz LFVLLOSAGSFVQA-UHFFFAOYSA-N -1 3 302.330 2.761 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)C(F)(F)F ZINC000288670566 287044018 /nfs/dbraw/zinc/04/40/18/287044018.db2.gz SPOREXBTGMJEAU-MRVPVSSYSA-N -1 3 323.336 2.629 20 0 DFADHM COc1cccc(CNC(=O)c2cc([O-])ccc2Cl)c1OC ZINC000431901912 296854847 /nfs/dbraw/zinc/85/48/47/296854847.db2.gz YWEJWJKFKXPDDQ-UHFFFAOYSA-N -1 3 321.760 2.993 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2ccc3ncsc3c2)[n-]1 ZINC000432004626 296858722 /nfs/dbraw/zinc/85/87/22/296858722.db2.gz BNNGLSRZOCMWCA-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM FC(F)(F)[C@H](CCN=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000432141020 296864490 /nfs/dbraw/zinc/86/44/90/296864490.db2.gz SOPNCLHBTWUJAI-GFCCVEGCSA-N -1 3 321.306 2.875 20 0 DFADHM C[C@@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000362110212 287214498 /nfs/dbraw/zinc/21/44/98/287214498.db2.gz DMCUECIIYWUKKI-ZWNOBZJWSA-N -1 3 300.399 2.714 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2CC(C)(C)C)c(=O)[n-]1 ZINC000129402300 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/nfs/dbraw/zinc/97/54/08/425975408.db2.gz BQWRLIPFPUEJHY-LBPRGKRZSA-N -1 3 317.393 2.647 20 0 DFADHM Cc1cc(CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)on1 ZINC000070844462 425977534 /nfs/dbraw/zinc/97/75/34/425977534.db2.gz ICZDRUQSZOIRTP-UHFFFAOYSA-N -1 3 302.359 2.936 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(c2ccc(F)cc2)CC1 ZINC000074045539 426038591 /nfs/dbraw/zinc/03/85/91/426038591.db2.gz HCNCTAHAGFYNFA-UHFFFAOYSA-N -1 3 323.331 2.676 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(c2ccc(F)cc2)CC1 ZINC000074045539 426038594 /nfs/dbraw/zinc/03/85/94/426038594.db2.gz HCNCTAHAGFYNFA-UHFFFAOYSA-N -1 3 323.331 2.676 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3c([nH]c4ccccc43)C2)on1 ZINC000126946058 426043838 /nfs/dbraw/zinc/04/38/38/426043838.db2.gz AVFDUWXEPINFTL-GFCCVEGCSA-N -1 3 324.384 2.850 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000111368909 426047778 /nfs/dbraw/zinc/04/77/78/426047778.db2.gz TUGDNFXSWGETMB-HUUCEWRRSA-N -1 3 320.414 2.906 20 0 DFADHM CO[C@@]1(C)C[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1(C)C ZINC000074375576 426047990 /nfs/dbraw/zinc/04/79/90/426047990.db2.gz XVLZICWTJVBXRK-BBRMVZONSA-N -1 3 310.369 2.534 20 0 DFADHM CCc1nc([C@H](C)N[C@H](C)C(=O)[N-]c2cc(C)no2)cs1 ZINC000111375988 426048452 /nfs/dbraw/zinc/04/84/52/426048452.db2.gz WWMUJHXRJTYWEP-VHSXEESVSA-N -1 3 308.407 2.680 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)c3ccccc32)cn1C ZINC000162322505 426060696 /nfs/dbraw/zinc/06/06/96/426060696.db2.gz NITOHMUTILAYSE-IAQYHMDHSA-N -1 3 319.430 2.645 20 0 DFADHM CCc1cccc(CC(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000162517228 426066968 /nfs/dbraw/zinc/06/69/68/426066968.db2.gz YLXLDNRJOZJBJQ-UHFFFAOYSA-N -1 3 309.373 2.554 20 0 DFADHM CCc1cccc(CC(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000162517228 426066971 /nfs/dbraw/zinc/06/69/71/426066971.db2.gz YLXLDNRJOZJBJQ-UHFFFAOYSA-N -1 3 309.373 2.554 20 0 DFADHM Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000127462973 426067652 /nfs/dbraw/zinc/06/76/52/426067652.db2.gz XCINQLDATGOWTE-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000127462973 426067655 /nfs/dbraw/zinc/06/76/55/426067655.db2.gz XCINQLDATGOWTE-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM CCOc1ccccc1NC(=O)C[S@@](=O)c1ccc([O-])cc1 ZINC000108082754 426009646 /nfs/dbraw/zinc/00/96/46/426009646.db2.gz KULYIKXSHFTKON-QFIPXVFZSA-N -1 3 319.382 2.537 20 0 DFADHM CC(C)N(C(=O)C[S@@](=O)c1ccc([O-])cc1)c1ccccc1 ZINC000108087041 426010027 /nfs/dbraw/zinc/01/00/27/426010027.db2.gz BHJRAEKBDLOEAZ-QFIPXVFZSA-N -1 3 317.410 2.941 20 0 DFADHM CN(C(=O)NCc1ccc([O-])c(Br)c1)C1CCC1 ZINC000126257671 426011773 /nfs/dbraw/zinc/01/17/73/426011773.db2.gz KESKEDRKGFXXCY-UHFFFAOYSA-N -1 3 313.195 2.849 20 0 DFADHM CC(C)N(CC1=Nc2ccccc2S(=O)(=O)[N-]1)C1CCCC1 ZINC000108364828 426014349 /nfs/dbraw/zinc/01/43/49/426014349.db2.gz JKLTXRRPJMUGAS-UHFFFAOYSA-N -1 3 321.446 2.662 20 0 DFADHM Cn1cc(C(=O)[N-]c2nncs2)c(-c2ccccc2Cl)n1 ZINC000108683292 426020262 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CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000163702233 426106682 /nfs/dbraw/zinc/10/66/82/426106682.db2.gz HFSRNZMZIPNUIG-CQSZACIVSA-N -1 3 305.374 2.729 20 0 DFADHM COc1ccc(O[C@H](C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128224981 426107932 /nfs/dbraw/zinc/10/79/32/426107932.db2.gz VRDZZLGNOZAGEK-SNVBAGLBSA-N -1 3 305.305 2.946 20 0 DFADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114558052 426138448 /nfs/dbraw/zinc/13/84/48/426138448.db2.gz MBVHCKLFTGIAOU-IBGZPJMESA-N -1 3 324.380 2.533 20 0 DFADHM CC(C)OCCS(=O)(=O)[N-]c1cccnc1-c1ccccc1 ZINC000164965744 426119865 /nfs/dbraw/zinc/11/98/65/426119865.db2.gz INJQNSRITVFTNC-UHFFFAOYSA-N -1 3 320.414 2.915 20 0 DFADHM CCOCCN(C)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000165702004 426124309 /nfs/dbraw/zinc/12/43/09/426124309.db2.gz UGDCAVLZFKKPOS-UHFFFAOYSA-N -1 3 302.374 2.666 20 0 DFADHM CN(C)CCN(Cc1cccs1)C(=O)c1c([O-])cccc1F ZINC000128861111 426136087 /nfs/dbraw/zinc/13/60/87/426136087.db2.gz GOPFBNCHJJZZII-UHFFFAOYSA-N -1 3 322.405 2.797 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccs2)c1 ZINC000112360868 426074480 /nfs/dbraw/zinc/07/44/80/426074480.db2.gz BGFJRAKRANKSIT-UHFFFAOYSA-N -1 3 317.819 2.889 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)c1 ZINC000112362357 426074965 /nfs/dbraw/zinc/07/49/65/426074965.db2.gz JZYQWQIZJKGAQW-CABZTGNLSA-N -1 3 303.811 2.816 20 0 DFADHM Cc1cc2c([n-]c(CC(=O)N(C)C3CCCCC3)nc2=O)s1 ZINC000112404517 426076907 /nfs/dbraw/zinc/07/69/07/426076907.db2.gz QVYRJYMWPUXESZ-UHFFFAOYSA-N -1 3 319.430 2.627 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)c2ccsc2)c1[O-] ZINC000116979430 426203676 /nfs/dbraw/zinc/20/36/76/426203676.db2.gz ALLGTXOFKWSSHB-UHFFFAOYSA-N -1 3 324.789 2.784 20 0 DFADHM CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000116978737 426203740 /nfs/dbraw/zinc/20/37/40/426203740.db2.gz ZNCJRFODMGQJHZ-LLVKDONJSA-N -1 3 310.781 2.551 20 0 DFADHM O=S(=O)([N-]Cc1nccs1)c1cc(Cl)cc(Cl)c1 ZINC000077656939 426142736 /nfs/dbraw/zinc/14/27/36/426142736.db2.gz KCUJJGGUFDYHRZ-UHFFFAOYSA-N -1 3 323.226 2.928 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c(Cl)c1 ZINC000077687836 426144859 /nfs/dbraw/zinc/14/48/59/426144859.db2.gz WAEQCZJEOQJJCP-UHFFFAOYSA-N -1 3 324.789 2.548 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(c2cccc(F)c2)CC1 ZINC000115053641 426152943 /nfs/dbraw/zinc/15/29/43/426152943.db2.gz UWJJTNKSMGKZFR-UHFFFAOYSA-N -1 3 323.331 2.676 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(c2cccc(F)c2)CC1 ZINC000115053641 426152944 /nfs/dbraw/zinc/15/29/44/426152944.db2.gz UWJJTNKSMGKZFR-UHFFFAOYSA-N -1 3 323.331 2.676 20 0 DFADHM O=C(NC1CCN(Cc2ccsc2)CC1)c1ccccc1[O-] ZINC000115117675 426154975 /nfs/dbraw/zinc/15/49/75/426154975.db2.gz BGUPXCXYKSPTBH-UHFFFAOYSA-N -1 3 316.426 2.848 20 0 DFADHM CC(C)(C)CCC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000078080573 426157678 /nfs/dbraw/zinc/15/76/78/426157678.db2.gz QHQFVDZNPHNDFS-KRWDZBQOSA-N -1 3 317.389 2.506 20 0 DFADHM Cc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1[O-] ZINC000078233061 426161892 /nfs/dbraw/zinc/16/18/92/426161892.db2.gz QIPHNUOOEXNVEP-UHFFFAOYSA-N -1 3 314.360 2.802 20 0 DFADHM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc2n[n-]nc2c1 ZINC000171008272 426164347 /nfs/dbraw/zinc/16/43/47/426164347.db2.gz YVLZMFNNANNXHN-IAGOWNOFSA-N -1 3 322.368 2.608 20 0 DFADHM Cc1cccc(CN2CCN(C(=O)c3cccc(C)c3[O-])CC2)c1 ZINC000078308628 426164558 /nfs/dbraw/zinc/16/45/58/426164558.db2.gz JIRXPNFYJWXICM-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CCSC[C@H]1c1ccccc1 ZINC000115474837 426165642 /nfs/dbraw/zinc/16/56/42/426165642.db2.gz BQJDMJJZDYZYHS-INIZCTEOSA-N -1 3 324.409 2.888 20 0 DFADHM Cc1cccc(C(=O)NCc2cnn(Cc3ccccc3)c2)c1[O-] ZINC000078361087 426167292 /nfs/dbraw/zinc/16/72/92/426167292.db2.gz KLYLGXIXZGLRRD-UHFFFAOYSA-N -1 3 321.380 2.875 20 0 DFADHM Cc1ccccc1C1(C[N-]C(=O)C(F)(F)F)CCOCC1 ZINC000171271986 426180319 /nfs/dbraw/zinc/18/03/19/426180319.db2.gz YGEMJKSHNRODCE-UHFFFAOYSA-N -1 3 301.308 2.722 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1 ZINC000078672619 426181066 /nfs/dbraw/zinc/18/10/66/426181066.db2.gz VTHDJXNUUJNKQY-QGZVFWFLSA-N -1 3 313.353 2.615 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(C)cc2)c1 ZINC000116453172 426190072 /nfs/dbraw/zinc/19/00/72/426190072.db2.gz IDAYXLRGJXBCMY-UHFFFAOYSA-N -1 3 312.369 2.632 20 0 DFADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)c(F)c2)c(=O)[n-]1 ZINC000079209855 426190633 /nfs/dbraw/zinc/19/06/33/426190633.db2.gz JJRPHFZJHZNTDD-UHFFFAOYSA-N -1 3 323.755 2.751 20 0 DFADHM COc1cccc(C(=O)NCCc2c(F)cccc2F)c1[O-] ZINC000079381166 426191807 /nfs/dbraw/zinc/19/18/07/426191807.db2.gz ZNRKTGDEJPYNGK-UHFFFAOYSA-N -1 3 307.296 2.652 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCOC[C@H]2c2ccc(C)o2)c1 ZINC000116700662 426195278 /nfs/dbraw/zinc/19/52/78/426195278.db2.gz JRVJBWCJNQVQTH-AWEZNQCLSA-N -1 3 317.341 2.516 20 0 DFADHM O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc2n[n-]nc2c1 ZINC000116822331 426196810 /nfs/dbraw/zinc/19/68/10/426196810.db2.gz HLXYNKXTZJGJGK-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCN(CCCc2ccccc2)CC1 ZINC000081012056 426218353 /nfs/dbraw/zinc/21/83/53/426218353.db2.gz DBTKLWPOGUOELU-UHFFFAOYSA-N -1 3 324.424 2.783 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3cnn(CC(F)F)c3)n[n-]2)o1 ZINC000172317227 426225203 /nfs/dbraw/zinc/22/52/03/426225203.db2.gz LXMALYBGUGNBHA-UHFFFAOYSA-N -1 3 321.287 2.692 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3cnn(CC(F)F)c3)[n-]n2)o1 ZINC000172317227 426225205 /nfs/dbraw/zinc/22/52/05/426225205.db2.gz LXMALYBGUGNBHA-UHFFFAOYSA-N -1 3 321.287 2.692 20 0 DFADHM CCC[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)OCC ZINC000151063840 426275275 /nfs/dbraw/zinc/27/52/75/426275275.db2.gz URPZNHAPPKFBBW-LLVKDONJSA-N -1 3 306.391 2.691 20 0 DFADHM CC(=O)N(C)c1ccccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000118363844 426233989 /nfs/dbraw/zinc/23/39/89/426233989.db2.gz BKMGAPMWLYBRKL-UHFFFAOYSA-N -1 3 324.340 2.905 20 0 DFADHM CC(=O)N(C)c1ccccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000118363844 426233991 /nfs/dbraw/zinc/23/39/91/426233991.db2.gz BKMGAPMWLYBRKL-UHFFFAOYSA-N -1 3 324.340 2.905 20 0 DFADHM CCC(CC)c1cc(C(=O)[N-]c2nnc3cc(C)ccn32)on1 ZINC000088253714 426274241 /nfs/dbraw/zinc/27/42/41/426274241.db2.gz RWQHXHWETZXLIQ-UHFFFAOYSA-N -1 3 313.361 3.182 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]Cc2cccs2)c(F)cc1F ZINC000084655728 426242924 /nfs/dbraw/zinc/24/29/24/426242924.db2.gz RCGTYTBQTPWQPP-UHFFFAOYSA-N -1 3 303.355 2.813 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc2[nH]ccc2c1 ZINC000084671259 426243217 /nfs/dbraw/zinc/24/32/17/426243217.db2.gz UASRDAZJFYRGBX-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc2[nH]ccc2c1 ZINC000084671259 426243220 /nfs/dbraw/zinc/24/32/20/426243220.db2.gz UASRDAZJFYRGBX-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM COC(=O)c1c(C)[n-]c(=O)nc1SCCCCC(F)(F)F ZINC000119001255 426254584 /nfs/dbraw/zinc/25/45/84/426254584.db2.gz SYUVWUURMZEOJI-UHFFFAOYSA-N -1 3 324.324 2.690 20 0 DFADHM CCCc1ncc(C(=O)[N-]c2nc3ccc(F)cn3n2)s1 ZINC000085744208 426254608 /nfs/dbraw/zinc/25/46/08/426254608.db2.gz CPOUNFUKNQJEMT-UHFFFAOYSA-N -1 3 305.338 2.530 20 0 DFADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000174382361 426255133 /nfs/dbraw/zinc/25/51/33/426255133.db2.gz HHVCBJFQJCBBKF-VHSXEESVSA-N -1 3 324.343 2.748 20 0 DFADHM COc1cc(OC)c(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1F ZINC000086965658 426260864 /nfs/dbraw/zinc/26/08/64/426260864.db2.gz GJPRXCWEKLNURY-VIFPVBQESA-N -1 3 323.324 2.578 20 0 DFADHM COc1ccc(CN2CCCC[C@H]2C(=O)[O-])c(Cl)c1OC ZINC000086729920 426261026 /nfs/dbraw/zinc/26/10/26/426261026.db2.gz SYCHOELEKDNLDH-NSHDSACASA-N -1 3 313.781 2.796 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)C1 ZINC000119110402 426262479 /nfs/dbraw/zinc/26/24/79/426262479.db2.gz FKTBMNVLUUJIEA-RYUDHWBXSA-N -1 3 310.419 2.823 20 0 DFADHM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000174890111 426266836 /nfs/dbraw/zinc/26/68/36/426266836.db2.gz RPQVSIKQCCBZJS-VFZGTOFNSA-N -1 3 303.289 2.698 20 0 DFADHM C[C@@H](CC(=O)Nc1cc(F)ccc1[O-])NC(=O)c1ccccc1 ZINC000174896458 426267103 /nfs/dbraw/zinc/26/71/03/426267103.db2.gz VALHLMYRENLHAY-NSHDSACASA-N -1 3 316.332 2.678 20 0 DFADHM COCc1cc(C(=O)[N-]c2nc3c(cccc3OC)s2)no1 ZINC000079995304 426208258 /nfs/dbraw/zinc/20/82/58/426208258.db2.gz KKYDCKVQSIJLOZ-UHFFFAOYSA-N -1 3 319.342 2.692 20 0 DFADHM COc1ccc([C@H](CCO)NC(=O)c2cccc(C)c2[O-])cc1 ZINC000135215983 426209678 /nfs/dbraw/zinc/20/96/78/426209678.db2.gz WDRYDWWOXOTCIW-INIZCTEOSA-N -1 3 315.369 2.563 20 0 DFADHM COc1cccc(C(=O)NCCc2cc(F)ccc2F)c1[O-] ZINC000080101341 426212589 /nfs/dbraw/zinc/21/25/89/426212589.db2.gz GGPBQTQLDMZNRI-UHFFFAOYSA-N -1 3 307.296 2.652 20 0 DFADHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000175283699 426294733 /nfs/dbraw/zinc/29/47/33/426294733.db2.gz HZURJUCMXFEJET-CHWSQXEVSA-N -1 3 321.414 2.917 20 0 DFADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000175283685 426294833 /nfs/dbraw/zinc/29/48/33/426294833.db2.gz HZURJUCMXFEJET-STQMWFEESA-N -1 3 321.414 2.917 20 0 DFADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1-n1cccn1 ZINC000151451238 426296228 /nfs/dbraw/zinc/29/62/28/426296228.db2.gz LSGCIMWNMRZZAI-LBPRGKRZSA-N -1 3 323.352 2.775 20 0 DFADHM CCc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1F ZINC000151446630 426296236 /nfs/dbraw/zinc/29/62/36/426296236.db2.gz YUZMGLNEUKHOBM-CYBMUJFWSA-N -1 3 301.383 2.699 20 0 DFADHM CC[C@@](C)([N-]S(=O)(=O)c1cccs1)c1nccs1 ZINC000151473445 426297596 /nfs/dbraw/zinc/29/75/96/426297596.db2.gz WYOMQHLVVCZJCQ-LLVKDONJSA-N -1 3 302.446 2.808 20 0 DFADHM Cc1cccc([C@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000119588153 426299989 /nfs/dbraw/zinc/29/99/89/426299989.db2.gz PZNVHXWKGAGCEY-LBPRGKRZSA-N -1 3 307.357 2.917 20 0 DFADHM Cc1cccc([C@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000119588153 426299992 /nfs/dbraw/zinc/29/99/92/426299992.db2.gz PZNVHXWKGAGCEY-LBPRGKRZSA-N -1 3 307.357 2.917 20 0 DFADHM Cc1cccc([C@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000119588153 426299994 /nfs/dbraw/zinc/29/99/94/426299994.db2.gz PZNVHXWKGAGCEY-LBPRGKRZSA-N -1 3 307.357 2.917 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)c([O-])c1 ZINC000175384612 426301025 /nfs/dbraw/zinc/30/10/25/426301025.db2.gz OUDOOVGOOQTWOJ-UHFFFAOYSA-N -1 3 312.369 2.963 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000119724045 426301258 /nfs/dbraw/zinc/30/12/58/426301258.db2.gz LRENVRPCSZMCQA-WQVCFCJDSA-N -1 3 301.386 2.778 20 0 DFADHM Cc1cccc(C(=O)N2CCN(C)c3cc(F)ccc32)c1[O-] ZINC000175395699 426301909 /nfs/dbraw/zinc/30/19/09/426301909.db2.gz LYKNPTZBYNOKBC-UHFFFAOYSA-N -1 3 300.333 2.936 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1scnc1C1CC1 ZINC000089689402 426302866 /nfs/dbraw/zinc/30/28/66/426302866.db2.gz GGHPKVBGKBRNOK-UHFFFAOYSA-N -1 3 301.331 2.651 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1scnc1C1CC1 ZINC000089689402 426302868 /nfs/dbraw/zinc/30/28/68/426302868.db2.gz GGHPKVBGKBRNOK-UHFFFAOYSA-N -1 3 301.331 2.651 20 0 DFADHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)C1(C)C ZINC000339445790 268816621 /nfs/dbraw/zinc/81/66/21/268816621.db2.gz QHJTXFLHGUXVAG-VXGBXAGGSA-N -1 3 321.801 2.571 20 0 DFADHM O=C([N-]c1nncs1)c1c(F)cccc1Br ZINC000175430791 426304631 /nfs/dbraw/zinc/30/46/31/426304631.db2.gz RUXQLVIMWOLBLN-UHFFFAOYSA-N -1 3 302.128 2.692 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)c1ccco1 ZINC000151617841 426304856 /nfs/dbraw/zinc/30/48/56/426304856.db2.gz ZZGKTSINSGUNOI-DZGCQCFKSA-N -1 3 323.414 2.690 20 0 DFADHM COc1cccc(C(=O)N(C)[C@H]2C[C@](C)(OC)C2(C)C)c1[O-] ZINC000175450912 426305597 /nfs/dbraw/zinc/30/55/97/426305597.db2.gz HEPFQOSBNCFGDE-GUYCJALGSA-N -1 3 307.390 2.676 20 0 DFADHM CC(C)(C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1 ZINC000120331140 426310075 /nfs/dbraw/zinc/31/00/75/426310075.db2.gz PCZUWVKQWIOUEF-UHFFFAOYSA-N -1 3 307.357 2.783 20 0 DFADHM CC(C)(C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1 ZINC000120331140 426310076 /nfs/dbraw/zinc/31/00/76/426310076.db2.gz PCZUWVKQWIOUEF-UHFFFAOYSA-N -1 3 307.357 2.783 20 0 DFADHM CC(C)(C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000120331140 426310080 /nfs/dbraw/zinc/31/00/80/426310080.db2.gz PCZUWVKQWIOUEF-UHFFFAOYSA-N -1 3 307.357 2.783 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(OCC(F)F)n1 ZINC000089847606 426312439 /nfs/dbraw/zinc/31/24/39/426312439.db2.gz SAHHMMMVNDKAEQ-UHFFFAOYSA-N -1 3 312.247 2.823 20 0 DFADHM Cc1cc2c([n-]c(CC(=O)N[C@H]3CCCC[C@@H]3C)nc2=O)s1 ZINC000339568081 268838778 /nfs/dbraw/zinc/83/87/78/268838778.db2.gz QEBWQKYRNBUMNT-CABZTGNLSA-N -1 3 319.430 2.943 20 0 DFADHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)noc1C ZINC000175698203 426321758 /nfs/dbraw/zinc/32/17/58/426321758.db2.gz GAYMRWOZXCNUDN-VXGBXAGGSA-N -1 3 318.464 2.634 20 0 DFADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc2nncn2c1 ZINC000175820949 426330297 /nfs/dbraw/zinc/33/02/97/426330297.db2.gz KYPQKPWWMGKVLM-UHFFFAOYSA-N -1 3 322.246 2.706 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000152294789 426336303 /nfs/dbraw/zinc/33/63/03/426336303.db2.gz ORFLMQXBZAZGHF-OLZOCXBDSA-N -1 3 304.296 2.711 20 0 DFADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000175890033 426336946 /nfs/dbraw/zinc/33/69/46/426336946.db2.gz AVOADRJBUFMNDP-UHFFFAOYSA-N -1 3 314.407 2.804 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000152334749 426339015 /nfs/dbraw/zinc/33/90/15/426339015.db2.gz BEDPNWCAUFKUDE-STQMWFEESA-N -1 3 304.296 2.711 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc3ncccc3c2)n[n-]1 ZINC000119302255 426276744 /nfs/dbraw/zinc/27/67/44/426276744.db2.gz ZOCDBVOOLKRTPS-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc3ncccc3c2)[n-]n1 ZINC000119302255 426276747 /nfs/dbraw/zinc/27/67/47/426276747.db2.gz ZOCDBVOOLKRTPS-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM CCCC(=O)Nc1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000176006675 426345069 /nfs/dbraw/zinc/34/50/69/426345069.db2.gz FUQDENYRRMGLBE-UHFFFAOYSA-N -1 3 320.286 2.942 20 0 DFADHM O=C(NCc1cccc(Br)c1)c1c([O-])cccc1O ZINC000092107591 426345765 /nfs/dbraw/zinc/34/57/65/426345765.db2.gz CROAJEVAAYHDET-UHFFFAOYSA-N -1 3 322.158 2.790 20 0 DFADHM C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000121511338 426348314 /nfs/dbraw/zinc/34/83/14/426348314.db2.gz AEEJQYUOCQEQNG-UFBFGSQYSA-N -1 3 324.229 2.590 20 0 DFADHM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cccc(C)c2[O-])C1 ZINC000176083834 426350611 /nfs/dbraw/zinc/35/06/11/426350611.db2.gz OOYQRVAFJVOKGI-BYVOGVQKSA-N -1 3 309.431 2.510 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)N(C)CC4)[n-]2)o1 ZINC000121692090 426350788 /nfs/dbraw/zinc/35/07/88/426350788.db2.gz YQUAGYLLVRTFEI-UHFFFAOYSA-N -1 3 323.356 2.618 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc4c(c3)N(C)CC4)n2)o1 ZINC000121692090 426350791 /nfs/dbraw/zinc/35/07/91/426350791.db2.gz YQUAGYLLVRTFEI-UHFFFAOYSA-N -1 3 323.356 2.618 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)N(C)CC4)n[n-]2)o1 ZINC000121692090 426350793 /nfs/dbraw/zinc/35/07/93/426350793.db2.gz YQUAGYLLVRTFEI-UHFFFAOYSA-N -1 3 323.356 2.618 20 0 DFADHM COc1ccc(NC(C)=O)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000121732496 426352370 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426484349 /nfs/dbraw/zinc/48/43/49/426484349.db2.gz LPNIMKCGXCJQHV-UHFFFAOYSA-N -1 3 321.296 2.972 20 0 DFADHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)o1 ZINC000101569227 426484940 /nfs/dbraw/zinc/48/49/40/426484940.db2.gz ZTAOUHCBNGQFHK-SECBINFHSA-N -1 3 301.314 2.906 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C2(CC)CCOCC2)c([O-])c1 ZINC000272360217 426506290 /nfs/dbraw/zinc/50/62/90/426506290.db2.gz SAOSNCSLZQMOCK-UHFFFAOYSA-N -1 3 321.373 2.714 20 0 DFADHM O=C(c1cc2ccccc2cc1[O-])N1CCN2CCCC[C@H]2C1 ZINC000195320427 426513437 /nfs/dbraw/zinc/51/34/37/426513437.db2.gz VCFBKJTYRQFBCT-INIZCTEOSA-N -1 3 310.397 2.856 20 0 DFADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1O2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000186370592 426514926 /nfs/dbraw/zinc/51/49/26/426514926.db2.gz ZSSIWZAQKAQDNV-JEZHCXPESA-N -1 3 323.805 2.841 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1C ZINC000288294326 426516690 /nfs/dbraw/zinc/51/66/90/426516690.db2.gz GEXNXBJJESLCFX-LBPRGKRZSA-N -1 3 323.336 2.623 20 0 DFADHM 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C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CC[C@H](C(=O)[O-])C1 ZINC000178900223 426715485 /nfs/dbraw/zinc/71/54/85/426715485.db2.gz FMWQGKMNFJQPGT-OLZOCXBDSA-N -1 3 318.417 2.718 20 0 DFADHM Cn1cc(C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cn1 ZINC000290459965 426769380 /nfs/dbraw/zinc/76/93/80/426769380.db2.gz KKJNQIIAJIMRFM-UHFFFAOYSA-N -1 3 319.792 2.799 20 0 DFADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1ccco1 ZINC000188636164 426772555 /nfs/dbraw/zinc/77/25/55/426772555.db2.gz ZBAADVWIRYBOBN-INIZCTEOSA-N -1 3 314.366 2.743 20 0 DFADHM COc1nnc(NC(=O)c2ccccc2Cc2ccccc2)[n-]1 ZINC000179372662 426781400 /nfs/dbraw/zinc/78/14/00/426781400.db2.gz UWAODJMRQIUEHR-UHFFFAOYSA-N -1 3 308.341 2.656 20 0 DFADHM COc1nc(NC(=O)c2ccccc2Cc2ccccc2)n[n-]1 ZINC000179372662 426781401 /nfs/dbraw/zinc/78/14/01/426781401.db2.gz UWAODJMRQIUEHR-UHFFFAOYSA-N -1 3 308.341 2.656 20 0 DFADHM COc1n[n-]c(NC(=O)c2ccccc2Cc2ccccc2)n1 ZINC000179372662 426781404 /nfs/dbraw/zinc/78/14/04/426781404.db2.gz UWAODJMRQIUEHR-UHFFFAOYSA-N -1 3 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ZINC000266605044 426748802 /nfs/dbraw/zinc/74/88/02/426748802.db2.gz WATMROFLVATRBZ-UHFFFAOYSA-N -1 3 310.361 2.577 20 0 DFADHM COc1cc(C(=O)N2CCc3ccc(F)cc32)cc(OC)c1[O-] ZINC000179103084 426751940 /nfs/dbraw/zinc/75/19/40/426751940.db2.gz QMMLPYRKBUASRW-UHFFFAOYSA-N -1 3 317.316 2.751 20 0 DFADHM Cc1nccn1CCCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000266625280 426754049 /nfs/dbraw/zinc/75/40/49/426754049.db2.gz YDLBHBBEKXLFGK-UHFFFAOYSA-N -1 3 301.390 2.724 20 0 DFADHM COc1cc(C(=O)NC2[C@H](C)CCC[C@@H]2C)cc(OC)c1[O-] ZINC000179116969 426754538 /nfs/dbraw/zinc/75/45/38/426754538.db2.gz DPFNNZOBIVWWRN-YWXMQNBFSA-N -1 3 307.390 2.964 20 0 DFADHM CCc1cnc(S(=O)(=O)Cc2ccc(OC)c(Cl)c2)[n-]1 ZINC000179127229 426756185 /nfs/dbraw/zinc/75/61/85/426756185.db2.gz DYCAYWWDQXAOCG-UHFFFAOYSA-N -1 3 314.794 2.608 20 0 DFADHM CCc1c[n-]c(S(=O)(=O)Cc2ccc(OC)c(Cl)c2)n1 ZINC000179127229 426756191 /nfs/dbraw/zinc/75/61/91/426756191.db2.gz DYCAYWWDQXAOCG-UHFFFAOYSA-N -1 3 314.794 2.608 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000266652278 426757628 /nfs/dbraw/zinc/75/76/28/426757628.db2.gz ZWHPHSSKQRCFQK-FZKQIMNGSA-N -1 3 320.352 2.907 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000266652278 426757632 /nfs/dbraw/zinc/75/76/32/426757632.db2.gz ZWHPHSSKQRCFQK-FZKQIMNGSA-N -1 3 320.352 2.907 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000266652278 426757639 /nfs/dbraw/zinc/75/76/39/426757639.db2.gz ZWHPHSSKQRCFQK-FZKQIMNGSA-N -1 3 320.352 2.907 20 0 DFADHM CC[C@@H](NC(=O)c1cnc2c(cnn2C)c1[O-])c1cccs1 ZINC000179443740 426789405 /nfs/dbraw/zinc/78/94/05/426789405.db2.gz JRCKNHDAPFLPSU-LLVKDONJSA-N -1 3 316.386 2.617 20 0 DFADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000274400875 426760623 /nfs/dbraw/zinc/76/06/23/426760623.db2.gz FRLQRJOKCIHFSD-NSHDSACASA-N -1 3 314.360 2.901 20 0 DFADHM COC(=O)CSCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274411800 426763705 /nfs/dbraw/zinc/76/37/05/426763705.db2.gz VXPYVUGLJDSGGG-LLVKDONJSA-N -1 3 323.414 2.529 20 0 DFADHM C[C@H]1CN(C)c2ccccc2CN1C(=O)/C=C/c1cncc([O-])c1 ZINC000179540328 426800399 /nfs/dbraw/zinc/80/03/99/426800399.db2.gz UACUYGCDCIKQPK-NPQIQWPPSA-N -1 3 323.396 2.668 20 0 DFADHM Cn1ncc2c1ncc(C(=O)N(CC1CC1)c1ccccc1)c2[O-] ZINC000179541127 426800763 /nfs/dbraw/zinc/80/07/63/426800763.db2.gz KEGHGAOJCQZUNT-UHFFFAOYSA-N -1 3 322.368 2.731 20 0 DFADHM COCCOc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000179549779 426800924 /nfs/dbraw/zinc/80/09/24/426800924.db2.gz STGKFCTUMCDVNH-UHFFFAOYSA-N -1 3 301.342 2.978 20 0 DFADHM COC(=O)CCCO[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000290650286 426812629 /nfs/dbraw/zinc/81/26/29/426812629.db2.gz NHJAGILZHNATPN-HNNXBMFYSA-N -1 3 307.390 2.817 20 0 DFADHM COCc1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000189037363 426813888 /nfs/dbraw/zinc/81/38/88/426813888.db2.gz QQIFUBZJSFXZII-UHFFFAOYSA-N -1 3 308.341 2.870 20 0 DFADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000282040152 426817547 /nfs/dbraw/zinc/81/75/47/426817547.db2.gz KWWMXHZAUNURDT-SNVBAGLBSA-N -1 3 304.369 2.995 20 0 DFADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000282040152 426817551 /nfs/dbraw/zinc/81/75/51/426817551.db2.gz KWWMXHZAUNURDT-SNVBAGLBSA-N -1 3 304.369 2.995 20 0 DFADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000282040152 426817555 /nfs/dbraw/zinc/81/75/55/426817555.db2.gz KWWMXHZAUNURDT-SNVBAGLBSA-N -1 3 304.369 2.995 20 0 DFADHM C=CC(=O)NCCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000179808134 426818725 /nfs/dbraw/zinc/81/87/25/426818725.db2.gz BMHVUWKEKPFRHE-UHFFFAOYSA-N -1 3 324.380 2.614 20 0 DFADHM COc1ccc(OC)c([N-]C(=O)c2nc(C3CCCC3)no2)c1 ZINC000274747773 426829512 /nfs/dbraw/zinc/82/95/12/426829512.db2.gz OYKMDAOHNICICR-UHFFFAOYSA-N -1 3 317.345 2.997 20 0 DFADHM CC[C@@]1(C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCO1 ZINC000189326023 426838701 /nfs/dbraw/zinc/83/87/01/426838701.db2.gz NCLSAZLKVJEMNV-SFHVURJKSA-N -1 3 303.402 2.912 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000282151509 426840309 /nfs/dbraw/zinc/84/03/09/426840309.db2.gz QIHVINLDZSNPQR-YUELXQCFSA-N -1 3 319.401 2.557 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1CCCC(F)(F)C1 ZINC000282173504 426844185 /nfs/dbraw/zinc/84/41/85/426844185.db2.gz VGAOYWLPNKYHTB-VIFPVBQESA-N -1 3 307.304 2.631 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1CCCC(F)(F)C1 ZINC000282173504 426844192 /nfs/dbraw/zinc/84/41/92/426844192.db2.gz VGAOYWLPNKYHTB-VIFPVBQESA-N -1 3 307.304 2.631 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CCCC(F)(F)C1 ZINC000282173504 426844197 /nfs/dbraw/zinc/84/41/97/426844197.db2.gz VGAOYWLPNKYHTB-VIFPVBQESA-N -1 3 307.304 2.631 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)c1csc(C(F)(F)F)n1 ZINC000189413907 426853279 /nfs/dbraw/zinc/85/32/79/426853279.db2.gz QJQYUNJGNGXRDM-UHFFFAOYSA-N -1 3 320.267 2.937 20 0 DFADHM O=c1[n-]c(SCCCc2cccc(F)c2)nc2[nH]ncc21 ZINC000180345825 426853913 /nfs/dbraw/zinc/85/39/13/426853913.db2.gz KVIJWBMGJKGKMZ-UHFFFAOYSA-N -1 3 304.350 2.510 20 0 DFADHM O=C(c1ccc([O-])cc1)N1CCN([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000274553471 426790842 /nfs/dbraw/zinc/79/08/42/426790842.db2.gz YABZMPOVBCJQGI-OALUTQOASA-N -1 3 322.408 2.706 20 0 DFADHM O=C(NCCc1nccs1)c1cc([O-])ccc1C(F)(F)F ZINC000188813226 426791072 /nfs/dbraw/zinc/79/10/72/426791072.db2.gz HRNODLVEYMDNCI-UHFFFAOYSA-N -1 3 316.304 2.840 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H]1CCCOc2ccccc21 ZINC000179468406 426791867 /nfs/dbraw/zinc/79/18/67/426791867.db2.gz ZCZGDVPZFQUPSE-KXPUMZMLSA-N -1 3 310.353 2.831 20 0 DFADHM CCCN(C[C@@H]1CCCCO1)C(=O)/C=C/c1cncc([O-])c1 ZINC000179485455 426792931 /nfs/dbraw/zinc/79/29/31/426792931.db2.gz HVESGWQZGAIZHP-MOEXGYKKSA-N -1 3 304.390 2.608 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](c2nccs2)C1 ZINC000179499991 426795429 /nfs/dbraw/zinc/79/54/29/426795429.db2.gz BDQHJZHADWQQFJ-JTQLQIEISA-N -1 3 304.371 2.574 20 0 DFADHM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cccc([O-])c2)C1 ZINC000281926167 426795870 /nfs/dbraw/zinc/79/58/70/426795870.db2.gz HELWELHQHMDIRD-YYQUZTFQSA-N -1 3 303.402 2.794 20 0 DFADHM CC(C)c1nc(CSc2nc(C(F)F)cc(=O)[n-]2)n[nH]1 ZINC000291556287 426914348 /nfs/dbraw/zinc/91/43/48/426914348.db2.gz BQZPBIRZHNZVNQ-UHFFFAOYSA-N -1 3 301.322 2.654 20 0 DFADHM CCc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)ccc1[O-] ZINC000291562590 426914625 /nfs/dbraw/zinc/91/46/25/426914625.db2.gz YBKWQJGHFGQLTD-LLVKDONJSA-N -1 3 324.380 2.940 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2cnn3ccncc23)c([O-])c1 ZINC000337674368 426914737 /nfs/dbraw/zinc/91/47/37/426914737.db2.gz ZBZWSDYXULJRSF-UHFFFAOYSA-N -1 3 310.357 2.985 20 0 DFADHM C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000282442789 426915272 /nfs/dbraw/zinc/91/52/72/426915272.db2.gz IDSZMDKOPIEZAD-NSHDSACASA-N -1 3 314.385 2.611 20 0 DFADHM Cc1cccc(OCC(=O)[N-]c2nncn2-c2ccccc2)c1 ZINC000181104479 426915549 /nfs/dbraw/zinc/91/55/49/426915549.db2.gz OJGAGRDZPWBDOL-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM Cc1ccc(C)c(OCC(=O)[N-]c2nncn2-c2ccccc2)c1 ZINC000181107811 426916103 /nfs/dbraw/zinc/91/61/03/426916103.db2.gz NUGFPYDLMWMZIR-UHFFFAOYSA-N -1 3 322.368 2.902 20 0 DFADHM Cc1cccc(O[C@H](C)C(=O)[N-]c2nncn2-c2ccccc2)c1 ZINC000181102976 426916634 /nfs/dbraw/zinc/91/66/34/426916634.db2.gz RVUIEUZXDADJAD-CQSZACIVSA-N -1 3 322.368 2.982 20 0 DFADHM [O-]c1ccc(F)c(CN2CC[C@H](CNc3ccccn3)C2)c1F ZINC000295343329 426919399 /nfs/dbraw/zinc/91/93/99/426919399.db2.gz MTOWEFZQOZBMGP-GFCCVEGCSA-N -1 3 319.355 2.999 20 0 DFADHM C[C@@H]1CCN(C(=O)c2ccnc3c2ncn3C)c2c([O-])cccc21 ZINC000291580055 426920042 /nfs/dbraw/zinc/92/00/42/426920042.db2.gz CBTATQYRLYWOBA-LLVKDONJSA-N -1 3 322.368 2.828 20 0 DFADHM CCc1cc(C(=O)NCc2ccnc(OC(F)F)c2)ccc1[O-] ZINC000291590380 426920710 /nfs/dbraw/zinc/92/07/10/426920710.db2.gz HNBWRVOOICNXCI-UHFFFAOYSA-N -1 3 322.311 2.881 20 0 DFADHM O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1cc([O-])ccc1Cl ZINC000290928096 426868250 /nfs/dbraw/zinc/86/82/50/426868250.db2.gz ROHSRILGCRVJML-SECBINFHSA-N -1 3 321.764 2.915 20 0 DFADHM CC(C)COc1ccccc1NC([O-])=NOC[C@@H]1CCOC1 ZINC000189510307 426872009 /nfs/dbraw/zinc/87/20/09/426872009.db2.gz OYUKVCMZUHJTSY-CYBMUJFWSA-N -1 3 308.378 2.811 20 0 DFADHM CC(C)COc1ccccc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189510307 426872015 /nfs/dbraw/zinc/87/20/15/426872015.db2.gz OYUKVCMZUHJTSY-CYBMUJFWSA-N -1 3 308.378 2.811 20 0 DFADHM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc(F)cc2nn[n-]c21 ZINC000282308272 426875188 /nfs/dbraw/zinc/87/51/88/426875188.db2.gz TUGKQKKRRFTTAD-MRVPVSSYSA-N -1 3 312.295 2.652 20 0 DFADHM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc(F)cc2[n-]nnc21 ZINC000282308272 426875193 /nfs/dbraw/zinc/87/51/93/426875193.db2.gz TUGKQKKRRFTTAD-MRVPVSSYSA-N -1 3 312.295 2.652 20 0 DFADHM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc(F)cc2n[n-]nc21 ZINC000282308272 426875201 /nfs/dbraw/zinc/87/52/01/426875201.db2.gz TUGKQKKRRFTTAD-MRVPVSSYSA-N -1 3 312.295 2.652 20 0 DFADHM COCCOCc1ccc(CNCc2nc(C)ccc2[O-])cc1 ZINC000291045212 426875776 /nfs/dbraw/zinc/87/57/76/426875776.db2.gz LVMZZGLWBASOSR-UHFFFAOYSA-N -1 3 316.401 2.548 20 0 DFADHM CC[C@@H](C)Oc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000189523733 426878821 /nfs/dbraw/zinc/87/88/21/426878821.db2.gz KYAMSZKCQQWIQY-CHWSQXEVSA-N -1 3 308.378 2.954 20 0 DFADHM CC(C)OCc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000189527241 426879088 /nfs/dbraw/zinc/87/90/88/426879088.db2.gz LPOMBIOLBLCDSA-CQSZACIVSA-N -1 3 308.378 2.701 20 0 DFADHM O=C(NC1(Cc2ccccc2)CC1)c1cc(F)cc2nn[n-]c21 ZINC000337613172 426880803 /nfs/dbraw/zinc/88/08/03/426880803.db2.gz YHGVJTZWWYVXQD-UHFFFAOYSA-N -1 3 310.332 2.602 20 0 DFADHM O=C(NC1(Cc2ccccc2)CC1)c1cc(F)cc2[n-]nnc21 ZINC000337613172 426880805 /nfs/dbraw/zinc/88/08/05/426880805.db2.gz YHGVJTZWWYVXQD-UHFFFAOYSA-N -1 3 310.332 2.602 20 0 DFADHM O=C(NC1(Cc2ccccc2)CC1)c1cc(F)cc2n[n-]nc21 ZINC000337613172 426880810 /nfs/dbraw/zinc/88/08/10/426880810.db2.gz YHGVJTZWWYVXQD-UHFFFAOYSA-N -1 3 310.332 2.602 20 0 DFADHM Cc1c([O-])ccc2c(CN(C(C)C)[C@@H]3CCOC3)cc(=O)oc12 ZINC000291395679 426884040 /nfs/dbraw/zinc/88/40/40/426884040.db2.gz BNAORMLIISNKKM-CQSZACIVSA-N -1 3 317.385 2.806 20 0 DFADHM CCc1cc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)ccc1[O-] ZINC000291458419 426887481 /nfs/dbraw/zinc/88/74/81/426887481.db2.gz NADNDPKNJJYEFY-OAHLLOKOSA-N -1 3 324.380 2.810 20 0 DFADHM CSCCc1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000189555818 426887605 /nfs/dbraw/zinc/88/76/05/426887605.db2.gz CJUCGRCWTAHEGF-ZDUSSCGKSA-N -1 3 310.419 2.682 20 0 DFADHM CC(C)Oc1ccc(F)cc1NC([O-])=NOC[C@@H]1CCOC1 ZINC000189553712 426888020 /nfs/dbraw/zinc/88/80/20/426888020.db2.gz MSLDQABQLIZQCK-LLVKDONJSA-N -1 3 312.341 2.703 20 0 DFADHM CC(C)Oc1ccc(F)cc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189553712 426888029 /nfs/dbraw/zinc/88/80/29/426888029.db2.gz MSLDQABQLIZQCK-LLVKDONJSA-N -1 3 312.341 2.703 20 0 DFADHM COC(=O)c1c(C)[n-]c(=O)nc1SC[C@@H]1CCC[C@H](C)C1 ZINC000180789150 426889437 /nfs/dbraw/zinc/88/94/37/426889437.db2.gz YJKSWIVQKFABOZ-GXSJLCMTSA-N -1 3 310.419 2.783 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000189579280 426896034 /nfs/dbraw/zinc/89/60/34/426896034.db2.gz ARCBJAKILMBWTR-OAHLLOKOSA-N -1 3 313.353 2.963 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(F)(c3ccccn3)CC2)n1 ZINC000295301002 426896724 /nfs/dbraw/zinc/89/67/24/426896724.db2.gz KCKBKEAFASLRMF-ZDUSSCGKSA-N -1 3 316.380 2.907 20 0 DFADHM Cc1ccc(C[C@@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000180877890 426897977 /nfs/dbraw/zinc/89/79/77/426897977.db2.gz RVOVWVFXLIEFFJ-CYBMUJFWSA-N -1 3 321.384 2.992 20 0 DFADHM Cc1ccc(C[C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000180877890 426897986 /nfs/dbraw/zinc/89/79/86/426897986.db2.gz RVOVWVFXLIEFFJ-CYBMUJFWSA-N -1 3 321.384 2.992 20 0 DFADHM Cc1ccc(C[C@@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000180877890 426897993 /nfs/dbraw/zinc/89/79/93/426897993.db2.gz RVOVWVFXLIEFFJ-CYBMUJFWSA-N -1 3 321.384 2.992 20 0 DFADHM COC[C@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000291519937 426902237 /nfs/dbraw/zinc/90/22/37/426902237.db2.gz JASVRLPUWGABPG-IINYFYTJSA-N -1 3 319.323 2.647 20 0 DFADHM Cn1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1=O ZINC000337652156 426903113 /nfs/dbraw/zinc/90/31/13/426903113.db2.gz KWMYIEWFABYWJV-UHFFFAOYSA-N -1 3 300.358 2.641 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000337657202 426906108 /nfs/dbraw/zinc/90/61/08/426906108.db2.gz OBRAOVUQUKJGIB-RYUDHWBXSA-N -1 3 318.417 2.920 20 0 DFADHM Cc1cc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)c2ccccc2n1 ZINC000295316210 426906467 /nfs/dbraw/zinc/90/64/67/426906467.db2.gz LHFZDHJDVLKNBJ-CYBMUJFWSA-N -1 3 324.384 2.599 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H]2CCOc3c(F)cccc32)c1 ZINC000189626715 426907307 /nfs/dbraw/zinc/90/73/07/426907307.db2.gz GFTSLGHOBOOBLL-AWEZNQCLSA-N -1 3 317.316 2.794 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CC[C@@H]1CCCCO1 ZINC000181036545 426908140 /nfs/dbraw/zinc/90/81/40/426908140.db2.gz YCHXICAXQJXOOC-NSHDSACASA-N -1 3 324.377 2.702 20 0 DFADHM CC(=O)N(C[C@@H]1CCCN1Cc1cc([O-])cc(F)c1)C1CC1 ZINC000275744019 426908474 /nfs/dbraw/zinc/90/84/74/426908474.db2.gz PXEYKWQMNRRWEE-INIZCTEOSA-N -1 3 306.381 2.507 20 0 DFADHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1nc[n-]n1 ZINC000337665871 426910093 /nfs/dbraw/zinc/91/00/93/426910093.db2.gz UJHCCDGWEQXSOC-UHFFFAOYSA-N -1 3 308.341 2.679 20 0 DFADHM COCC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000337665454 426910525 /nfs/dbraw/zinc/91/05/25/426910525.db2.gz SEKDEJNVLZPCMH-UHFFFAOYSA-N -1 3 309.381 2.787 20 0 DFADHM O=C([O-])CC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000316446558 426945738 /nfs/dbraw/zinc/94/57/38/426945738.db2.gz FQSYOGFATVVOQJ-ZDUSSCGKSA-N -1 3 305.374 2.535 20 0 DFADHM C[C@H](C(=O)OC(C)(C)C)N(C)Cc1c(F)ccc([O-])c1F ZINC000295410945 426946965 /nfs/dbraw/zinc/94/69/65/426946965.db2.gz RNVGVQRRULOLGZ-SECBINFHSA-N -1 3 301.333 2.832 20 0 DFADHM CC[C@@]1(CO)CCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000275925212 426949448 /nfs/dbraw/zinc/94/94/48/426949448.db2.gz VBRXGZPQEVOTBM-SFHVURJKSA-N 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O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc2scnc2c1 ZINC000278057661 427395490 /nfs/dbraw/zinc/39/54/90/427395490.db2.gz ISMMEZHFZQZKCS-MRVPVSSYSA-N -1 3 315.276 2.674 20 0 DFADHM CC[C@H](C)CON=C([O-])Nc1ccc(F)c(C(=O)OC)c1F ZINC000297496859 427405073 /nfs/dbraw/zinc/40/50/73/427405073.db2.gz UUQSWHDTGQEWSY-QMMMGPOBSA-N -1 3 316.304 2.851 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(F)c(C(=O)OC)c1F ZINC000297496859 427405083 /nfs/dbraw/zinc/40/50/83/427405083.db2.gz UUQSWHDTGQEWSY-QMMMGPOBSA-N -1 3 316.304 2.851 20 0 DFADHM CCOc1ccc([N-]C(=O)c2cc(OC)no2)c2ncccc12 ZINC000184152414 427406922 /nfs/dbraw/zinc/40/69/22/427406922.db2.gz IOBVKWDPOUDMDS-UHFFFAOYSA-N -1 3 313.313 2.882 20 0 DFADHM CCOc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c(C)c1 ZINC000286028576 427407521 /nfs/dbraw/zinc/40/75/21/427407521.db2.gz QDUNVPJLMXOSAZ-SNVBAGLBSA-N -1 3 316.279 2.771 20 0 DFADHM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1ccc2c(c1)OCCCCO2 ZINC000263099101 427415091 /nfs/dbraw/zinc/41/50/91/427415091.db2.gz 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CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000293873120 427472531 /nfs/dbraw/zinc/47/25/31/427472531.db2.gz STBQMXQXAXLUOT-NSHDSACASA-N -1 3 324.229 2.697 20 0 DFADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCO1 ZINC000271265031 427474585 /nfs/dbraw/zinc/47/45/85/427474585.db2.gz LYBHYNLJGUJJOW-VHSXEESVSA-N -1 3 321.801 2.573 20 0 DFADHM CCOc1cc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)ccc1OC ZINC000263389030 427477051 /nfs/dbraw/zinc/47/70/51/427477051.db2.gz YKKHIWAAAGLTFL-TZMCWYRMSA-N -1 3 307.390 2.779 20 0 DFADHM CC[C@H](NC(=O)c1ccccc1[O-])c1nnc2n1CCCCC2 ZINC000271269398 427477844 /nfs/dbraw/zinc/47/78/44/427477844.db2.gz LZBRNWJQWAWNQR-ZDUSSCGKSA-N -1 3 314.389 2.591 20 0 DFADHM C[C@H](C(=O)Nc1cccc(Cl)c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263397530 427479022 /nfs/dbraw/zinc/47/90/22/427479022.db2.gz ZPFXWADBNRBIKA-IJLUTSLNSA-N -1 3 324.808 2.710 20 0 DFADHM C[C@H](CN1CC[C@H](C(=O)[O-])C1)c1cccc(Br)c1 ZINC000263409211 427482817 /nfs/dbraw/zinc/48/28/17/427482817.db2.gz 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O=S(=O)([N-][C@H](c1ccc(F)cc1)C1CCCC1)c1c[nH]cn1 ZINC000347023307 428411794 /nfs/dbraw/zinc/41/17/94/428411794.db2.gz BNKHIOLNGBERPX-HNNXBMFYSA-N -1 3 323.393 2.759 20 0 DFADHM Cc1ccc([O-])c(CNc2cc(Cl)cc3c2OCC(=O)N3)n1 ZINC000342226272 428358748 /nfs/dbraw/zinc/35/87/48/428358748.db2.gz IDXWIONSXJHPQP-UHFFFAOYSA-N -1 3 319.748 2.692 20 0 DFADHM COc1cc(C)ccc1CN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000414645745 428363198 /nfs/dbraw/zinc/36/31/98/428363198.db2.gz AFXPCRJFZSAMEL-VXGBXAGGSA-N -1 3 317.307 2.699 20 0 DFADHM CCCCn1c(=O)[n-]nc1SCc1cccc(OCC)n1 ZINC000342239883 428365582 /nfs/dbraw/zinc/36/55/82/428365582.db2.gz FOUWHHOSFRHQGE-UHFFFAOYSA-N -1 3 308.407 2.870 20 0 DFADHM Cc1nn(-c2ccc(Cl)cc2)cc1CN(C)C[C@H](C)C(=O)[O-] ZINC000414650524 428366308 /nfs/dbraw/zinc/36/63/08/428366308.db2.gz DHDHKLBHAVYWJE-NSHDSACASA-N -1 3 321.808 2.987 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@@H]2CCCO2)sc1Cl ZINC000353044733 428366408 /nfs/dbraw/zinc/36/64/08/428366408.db2.gz 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428435737 /nfs/dbraw/zinc/43/57/37/428435737.db2.gz WGTUQJCFYFINMQ-LLVKDONJSA-N -1 3 311.428 2.666 20 0 DFADHM COc1cccc(C2=CCN(C(=O)c3ccc4n[n-]nc4c3)C2)c1 ZINC000378609141 428437686 /nfs/dbraw/zinc/43/76/86/428437686.db2.gz ONJYRVHZOSQLOD-UHFFFAOYSA-N -1 3 320.352 2.506 20 0 DFADHM CC(=O)c1ccc(C(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)o1 ZINC000347118477 428454415 /nfs/dbraw/zinc/45/44/15/428454415.db2.gz VSZSCPFGDACTQM-UHFFFAOYSA-N -1 3 314.276 2.659 20 0 DFADHM CC(=O)N[C@H](CC(=O)Nc1ccc([O-])cc1F)c1cccs1 ZINC000360860640 428467606 /nfs/dbraw/zinc/46/76/06/428467606.db2.gz QUOBBRJPUQKLTK-CYBMUJFWSA-N -1 3 322.361 2.799 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)o1 ZINC000372142943 428419336 /nfs/dbraw/zinc/41/93/36/428419336.db2.gz GSNZHCXMYGSYEY-RITPCOANSA-N -1 3 300.240 2.792 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)o1 ZINC000372142943 428419339 /nfs/dbraw/zinc/41/93/39/428419339.db2.gz GSNZHCXMYGSYEY-RITPCOANSA-N -1 3 300.240 2.792 20 0 DFADHM O=C(Nc1cnc2c(c1)CCCC2)c1c[n-]nc1-c1ccncc1 ZINC000360741976 428421663 /nfs/dbraw/zinc/42/16/63/428421663.db2.gz ZCYCFAVUVIPPDM-UHFFFAOYSA-N -1 3 319.368 2.998 20 0 DFADHM O=C(Nc1cnc2c(c1)CCCC2)c1cn[n-]c1-c1ccncc1 ZINC000360741976 428421665 /nfs/dbraw/zinc/42/16/65/428421665.db2.gz ZCYCFAVUVIPPDM-UHFFFAOYSA-N -1 3 319.368 2.998 20 0 DFADHM Cc1noc([C@H](NC(=O)c2cccc([O-])c2)c2ccccc2)n1 ZINC000378567662 428427902 /nfs/dbraw/zinc/42/79/02/428427902.db2.gz VJFUBPPUEJTSQO-OAHLLOKOSA-N -1 3 309.325 2.603 20 0 DFADHM CC1(C)C[C@H](N=c2ncnc3[nH][n-]cc2-3)c2ccc(F)cc2O1 ZINC000360769200 428430307 /nfs/dbraw/zinc/43/03/07/428430307.db2.gz ADJYNMDYOLSJOE-LBPRGKRZSA-N -1 3 313.336 2.580 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC12CCC(CO)CC2 ZINC000378575052 428430856 /nfs/dbraw/zinc/43/08/56/428430856.db2.gz VYPFWYXQVSPUQL-UHFFFAOYSA-N -1 3 323.820 2.742 20 0 DFADHM COc1cccc(C(=O)N2CCc3scc(C)c3C2)c1[O-] ZINC000378589377 428432714 /nfs/dbraw/zinc/43/27/14/428432714.db2.gz DPXHSCGEAOESEJ-UHFFFAOYSA-N -1 3 303.383 2.969 20 0 DFADHM CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)c1cccc([O-])c1)C2 ZINC000357335664 428489088 /nfs/dbraw/zinc/48/90/88/428489088.db2.gz KLLAXIDZTFEVIK-CYBMUJFWSA-N -1 3 313.401 2.631 20 0 DFADHM O=C(NCC1(C(F)(F)F)CC1)c1c[n-]c2ccccc2c1=O ZINC000342949029 428495262 /nfs/dbraw/zinc/49/52/62/428495262.db2.gz ZSOMHFYWNWJCGC-UHFFFAOYSA-N -1 3 310.275 2.600 20 0 DFADHM CCN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1OC(C)C ZINC000357352375 428496461 /nfs/dbraw/zinc/49/64/61/428496461.db2.gz CGBLUIADGAHAJP-UHFFFAOYSA-N -1 3 306.815 2.736 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2cn(C)nc2C)c([O-])c1 ZINC000372741183 428498101 /nfs/dbraw/zinc/49/81/01/428498101.db2.gz NPHAMQCDMYAGLQ-MRXNPFEDSA-N -1 3 313.401 2.974 20 0 DFADHM COC(=O)[C@@H](C)SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000347222765 428501759 /nfs/dbraw/zinc/50/17/59/428501759.db2.gz GJSCPTVMPDLZAE-MRVPVSSYSA-N -1 3 318.354 2.876 20 0 DFADHM CCOc1nc2cc(C(=O)NCc3cc(C)ccn3)ccc2[n-]1 ZINC000357375894 428506838 /nfs/dbraw/zinc/50/68/38/428506838.db2.gz 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C[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C[C@@H](C)C1 ZINC000407967508 428585791 /nfs/dbraw/zinc/58/57/91/428585791.db2.gz PYCICQCYSGKAPH-STQMWFEESA-N -1 3 324.446 2.566 20 0 DFADHM CC[C@@H](c1ccccc1)N(Cc1nc(=O)n(C)[n-]1)CC(C)C ZINC000347474564 428586626 /nfs/dbraw/zinc/58/66/26/428586626.db2.gz GGXPZFWSOOAQKI-HNNXBMFYSA-N -1 3 302.422 2.718 20 0 DFADHM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc([O-])cc(F)c2)C1 ZINC000373502367 428592827 /nfs/dbraw/zinc/59/28/27/428592827.db2.gz XVHRBBZAIGIADI-MRXNPFEDSA-N -1 3 314.360 2.599 20 0 DFADHM O=C(Nc1nnc(CC(F)(F)F)s1)c1cccc([O-])c1 ZINC000357440769 428536546 /nfs/dbraw/zinc/53/65/46/428536546.db2.gz MREWVZRZFVEHAW-UHFFFAOYSA-N -1 3 303.265 2.601 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)Nc3ccnn3C(C)C)c[n-]c12 ZINC000357454130 428540276 /nfs/dbraw/zinc/54/02/76/428540276.db2.gz OHUZGOIVOKOXFZ-UHFFFAOYSA-N -1 3 310.357 2.866 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCN1c1ccccc1 ZINC000373325564 428550375 /nfs/dbraw/zinc/55/03/75/428550375.db2.gz 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CC(C)c1occc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000358916211 428729049 /nfs/dbraw/zinc/72/90/49/428729049.db2.gz SBSHMTSFBQVMHJ-UHFFFAOYSA-N -1 3 311.345 2.759 20 0 DFADHM CC(C)c1occc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000358916211 428729053 /nfs/dbraw/zinc/72/90/53/428729053.db2.gz SBSHMTSFBQVMHJ-UHFFFAOYSA-N -1 3 311.345 2.759 20 0 DFADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc[nH]c1=O ZINC000362264196 428678124 /nfs/dbraw/zinc/67/81/24/428678124.db2.gz VTBVCPNTHOXDIN-UHFFFAOYSA-N -1 3 321.296 2.571 20 0 DFADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccc[nH]c1=O ZINC000362264196 428678129 /nfs/dbraw/zinc/67/81/29/428678129.db2.gz VTBVCPNTHOXDIN-UHFFFAOYSA-N -1 3 321.296 2.571 20 0 DFADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc[nH]c1=O ZINC000362264196 428678133 /nfs/dbraw/zinc/67/81/33/428678133.db2.gz VTBVCPNTHOXDIN-UHFFFAOYSA-N -1 3 321.296 2.571 20 0 DFADHM CCOC(=O)c1sc2[n-]c([C@@H]3CC3(C)C)nc(=O)c2c1C ZINC000416411183 428733029 /nfs/dbraw/zinc/73/30/29/428733029.db2.gz IPOPFDZNNIZUNK-QMMMGPOBSA-N 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Cc1ccc(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000362489106 428768292 /nfs/dbraw/zinc/76/82/92/428768292.db2.gz NOCRXFVRKKZUJX-UHFFFAOYSA-N -1 3 313.386 2.808 20 0 DFADHM C[C@@H]1CCN(C(=O)c2ccc3nc[nH]c3n2)c2c([O-])cccc21 ZINC000345135113 428768383 /nfs/dbraw/zinc/76/83/83/428768383.db2.gz NGGMHDJSAKMSCN-SNVBAGLBSA-N -1 3 308.341 2.818 20 0 DFADHM Cc1ccc(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000362489106 428768296 /nfs/dbraw/zinc/76/82/96/428768296.db2.gz NOCRXFVRKKZUJX-UHFFFAOYSA-N -1 3 313.386 2.808 20 0 DFADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1ccc(C(C)=O)o1 ZINC000362507836 428774157 /nfs/dbraw/zinc/77/41/57/428774157.db2.gz XDYNVZOYDVNSFC-UHFFFAOYSA-N -1 3 305.261 2.660 20 0 DFADHM CC[C@H](OC1CCCC1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000411302830 428776273 /nfs/dbraw/zinc/77/62/73/428776273.db2.gz ZXGITTZXAXERSB-NSHDSACASA-N -1 3 304.350 2.741 20 0 DFADHM CC[C@H](OC1CCCC1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000411302830 428776281 /nfs/dbraw/zinc/77/62/81/428776281.db2.gz ZXGITTZXAXERSB-NSHDSACASA-N -1 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/nfs/dbraw/zinc/87/37/30/428873730.db2.gz PFBPDOPUPKDWTA-UHFFFAOYSA-N -1 3 301.375 2.579 20 0 DFADHM CSc1nc(NC(=O)CCc2c[nH]c3ccccc23)n[n-]1 ZINC000354122835 428873735 /nfs/dbraw/zinc/87/37/35/428873735.db2.gz PFBPDOPUPKDWTA-UHFFFAOYSA-N -1 3 301.375 2.579 20 0 DFADHM Cc1nc([C@@H]2CCCN(Cc3n[n-]c(=O)s3)C2)sc1C ZINC000375402190 428875167 /nfs/dbraw/zinc/87/51/67/428875167.db2.gz RAQKFEPNEMQWLR-SNVBAGLBSA-N -1 3 310.448 2.697 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H](CC)c2ccncc2)s1 ZINC000359244696 428885229 /nfs/dbraw/zinc/88/52/29/428885229.db2.gz QTXSZOJQTNZSBN-NSHDSACASA-N -1 3 311.432 2.530 20 0 DFADHM CSC1(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CC1 ZINC000375467651 428892592 /nfs/dbraw/zinc/89/25/92/428892592.db2.gz IVHMHQHYDDQZNH-UHFFFAOYSA-N -1 3 310.329 2.584 20 0 DFADHM CSC1(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CC1 ZINC000375467651 428892601 /nfs/dbraw/zinc/89/26/01/428892601.db2.gz IVHMHQHYDDQZNH-UHFFFAOYSA-N -1 3 310.329 2.584 20 0 DFADHM CSC1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CC1 ZINC000375467651 428892604 /nfs/dbraw/zinc/89/26/04/428892604.db2.gz IVHMHQHYDDQZNH-UHFFFAOYSA-N -1 3 310.329 2.584 20 0 DFADHM O=C(Cc1ccccc1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000359268350 428897789 /nfs/dbraw/zinc/89/77/89/428897789.db2.gz BAAFYJCOKPSSNC-UHFFFAOYSA-N -1 3 314.295 2.931 20 0 DFADHM O=C(Cc1ccccc1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000359268350 428897794 /nfs/dbraw/zinc/89/77/94/428897794.db2.gz BAAFYJCOKPSSNC-UHFFFAOYSA-N -1 3 314.295 2.931 20 0 DFADHM O=C(Cc1ccccc1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000359268350 428897802 /nfs/dbraw/zinc/89/78/02/428897802.db2.gz BAAFYJCOKPSSNC-UHFFFAOYSA-N -1 3 314.295 2.931 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-]CC(C)(C)C2CCCCC2)c1 ZINC000345466714 428898724 /nfs/dbraw/zinc/89/87/24/428898724.db2.gz GPARNIVBJBHAJR-UHFFFAOYSA-N -1 3 313.467 2.788 20 0 DFADHM FC(F)(F)c1cccc(CNC2(c3nn[n-]n3)CCCC2)c1 ZINC000354176575 428900438 /nfs/dbraw/zinc/90/04/38/428900438.db2.gz DPFSXHJJHYTQTJ-UHFFFAOYSA-N -1 3 311.311 2.778 20 0 DFADHM FC(F)(F)c1cccc(CNC2(c3nnn[n-]3)CCCC2)c1 ZINC000354176575 428900442 /nfs/dbraw/zinc/90/04/42/428900442.db2.gz DPFSXHJJHYTQTJ-UHFFFAOYSA-N -1 3 311.311 2.778 20 0 DFADHM COC(=O)[C@@H]1CC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000354210083 428916421 /nfs/dbraw/zinc/91/64/21/428916421.db2.gz VSNQBIFUHWXEIR-RKDXNWHRSA-N -1 3 317.263 2.549 20 0 DFADHM CSc1nnc(CNC(=O)c2cc([O-])ccc2Cl)s1 ZINC000349113132 428920394 /nfs/dbraw/zinc/92/03/94/428920394.db2.gz QEMVZORQCUXDCZ-UHFFFAOYSA-N -1 3 315.807 2.549 20 0 DFADHM CCCCCS(=O)(=O)[N-]c1ccccc1-n1c(C)c[nH]c1=O ZINC000375624639 428927763 /nfs/dbraw/zinc/92/77/63/428927763.db2.gz LJZKLAMRNPKENX-UHFFFAOYSA-N -1 3 323.418 2.818 20 0 DFADHM Cc1cc(C(=O)N(Cc2ccccc2F)C(C)C)[n-]c(=O)n1 ZINC000345557565 428935656 /nfs/dbraw/zinc/93/56/56/428935656.db2.gz BMULOUDWSWPENT-UHFFFAOYSA-N -1 3 303.337 2.681 20 0 DFADHM CCCCOCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000359370822 428943480 /nfs/dbraw/zinc/94/34/80/428943480.db2.gz BIMLPYIJSLBZTD-UHFFFAOYSA-N -1 3 323.817 2.964 20 0 DFADHM CCCCOCCC[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000359376549 428947198 /nfs/dbraw/zinc/94/71/98/428947198.db2.gz UDSJLGXOLTVESV-UHFFFAOYSA-N -1 3 303.399 2.619 20 0 DFADHM Cc1cccnc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345587306 428948716 /nfs/dbraw/zinc/94/87/16/428948716.db2.gz NMQVISKFSFZSCF-UHFFFAOYSA-N -1 3 302.349 2.874 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCc2cccc(NC(C)=O)c2)c1 ZINC000354288142 428956457 /nfs/dbraw/zinc/95/64/57/428956457.db2.gz BMUUHSJKQCOGOI-UHFFFAOYSA-N -1 3 312.369 2.843 20 0 DFADHM O=C(N[C@H]1CCCc2occc21)c1cc(=O)c2ccccc2[n-]1 ZINC000363630495 428957864 /nfs/dbraw/zinc/95/78/64/428957864.db2.gz UHAFLIDVBYMYEO-AWEZNQCLSA-N -1 3 308.337 2.929 20 0 DFADHM COC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000354311858 428964263 /nfs/dbraw/zinc/96/42/63/428964263.db2.gz OHPADBBWCHWOOL-MRVPVSSYSA-N -1 3 312.218 2.615 20 0 DFADHM O=S(=O)([N-]C1CCc2ccccc2CC1)c1cccs1 ZINC000451954881 429025449 /nfs/dbraw/zinc/02/54/49/429025449.db2.gz NXNZRGIEVWNYIB-UHFFFAOYSA-N -1 3 307.440 2.974 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC[C@@]23CCOC3)c([O-])c1 ZINC000375964295 429028084 /nfs/dbraw/zinc/02/80/84/429028084.db2.gz NFDZWJIFNOVVIH-SFHVURJKSA-N -1 3 319.401 2.966 20 0 DFADHM CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000375970973 429030010 /nfs/dbraw/zinc/03/00/10/429030010.db2.gz XRLRIPQTXJBFDJ-IRXDYDNUSA-N -1 3 306.381 2.507 20 0 DFADHM COc1cc(NC(=O)c2ccc3n[n-]nc3c2)cc(OC)c1C ZINC000349382597 428978219 /nfs/dbraw/zinc/97/82/19/428978219.db2.gz KHTAYLZPCJVONH-UHFFFAOYSA-N -1 3 312.329 2.536 20 0 DFADHM CCc1ccc([C@H]2CNCCN2C(=O)c2ccccc2[O-])cc1 ZINC000423617333 428981989 /nfs/dbraw/zinc/98/19/89/428981989.db2.gz STKNUDOUTBKVDA-QGZVFWFLSA-N -1 3 310.397 2.741 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCSCC(F)(F)F)cc1[O-] ZINC000412225759 428987715 /nfs/dbraw/zinc/98/77/15/428987715.db2.gz LALAHNMVNDMDDO-UHFFFAOYSA-N -1 3 321.320 2.620 20 0 DFADHM CCn1ccnc1[C@H](C)NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000412406838 429034045 /nfs/dbraw/zinc/03/40/45/429034045.db2.gz ZXKVSWPXGWIRKQ-LBPRGKRZSA-N -1 3 324.384 2.544 20 0 DFADHM Cc1nc([C@H]2CCCN(C(=O)c3csc(=O)[n-]3)C2)sc1C ZINC000375886722 429009200 /nfs/dbraw/zinc/00/92/00/429009200.db2.gz ZAGQMYGWFUAHSG-JTQLQIEISA-N -1 3 323.443 2.942 20 0 DFADHM COCC1(CNC(=O)c2ccc(C(C)=O)c([O-])c2)CCCC1 ZINC000412402086 429034548 /nfs/dbraw/zinc/03/45/48/429034548.db2.gz IXHNBYZDGOZVRY-UHFFFAOYSA-N -1 3 305.374 2.531 20 0 DFADHM C/C=C\C[C@@H]([N-]S(=O)(=O)CCCC(C)(C)C)C(=O)OCC ZINC000349580443 429010381 /nfs/dbraw/zinc/01/03/81/429010381.db2.gz LXMGAENVAJROTJ-FWPCIQOSSA-N -1 3 319.467 2.630 20 0 DFADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000452061126 429044692 /nfs/dbraw/zinc/04/46/92/429044692.db2.gz OQCDFYBIUOONCP-CHWSQXEVSA-N -1 3 319.373 2.509 20 0 DFADHM Cc1nc(CO[C@@H]2CCN(C(=O)c3cccc([O-])c3)C2)cs1 ZINC000376091762 429056431 /nfs/dbraw/zinc/05/64/31/429056431.db2.gz DLANAGNELOSETH-OAHLLOKOSA-N -1 3 318.398 2.588 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCO[C@H](CF)C1 ZINC000412550073 429060820 /nfs/dbraw/zinc/06/08/20/429060820.db2.gz JBNCQRPEHGNDMH-OAHLLOKOSA-N -1 3 317.360 2.675 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CS[C@@H](C)C3)c[n-]c12 ZINC000412574564 429064087 /nfs/dbraw/zinc/06/40/87/429064087.db2.gz AFQKXOBJYZTSJF-ONGXEEELSA-N -1 3 320.389 2.599 20 0 DFADHM CO[C@](C)([C@H](C)NC(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000412593953 429066229 /nfs/dbraw/zinc/06/62/29/429066229.db2.gz MWDGSQWLKNKHFM-MGPLVRAMSA-N -1 3 311.809 2.908 20 0 DFADHM C[C@H](NC(=O)c1c[n-]nn1)c1cccc(OCc2ccccc2)c1 ZINC000434196611 429076514 /nfs/dbraw/zinc/07/65/14/429076514.db2.gz MZNBXOIXRYGUCB-ZDUSSCGKSA-N -1 3 322.368 2.875 20 0 DFADHM C[C@H](NC(=O)c1cnn[n-]1)c1cccc(OCc2ccccc2)c1 ZINC000434196611 429076516 /nfs/dbraw/zinc/07/65/16/429076516.db2.gz MZNBXOIXRYGUCB-ZDUSSCGKSA-N -1 3 322.368 2.875 20 0 DFADHM C[C@H](NC(=O)c1cn[n-]n1)c1cccc(OCc2ccccc2)c1 ZINC000434196611 429076519 /nfs/dbraw/zinc/07/65/19/429076519.db2.gz MZNBXOIXRYGUCB-ZDUSSCGKSA-N -1 3 322.368 2.875 20 0 DFADHM C[C@@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@H](c2ccsc2)O1 ZINC000376241901 429083066 /nfs/dbraw/zinc/08/30/66/429083066.db2.gz ADLJERPEXZMYCD-LDYMZIIASA-N -1 3 310.400 2.512 20 0 DFADHM Cc1cc(C(=O)[N-]c2nnc(-c3ccccc3)s2)ns1 ZINC000435660205 429157738 /nfs/dbraw/zinc/15/77/38/429157738.db2.gz SLARAMJDYKZHBA-UHFFFAOYSA-N -1 3 302.384 3.222 20 0 DFADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000435623206 429153597 /nfs/dbraw/zinc/15/35/97/429153597.db2.gz GMLFZGOWBVTORV-GMSGAONNSA-N -1 3 322.199 2.665 20 0 DFADHM CC(C)N(C(=O)CN1CCCC[C@@H]1CCC(=O)[O-])C1CCCC1 ZINC000424261061 429116624 /nfs/dbraw/zinc/11/66/24/429116624.db2.gz OTEQFHXPJBMPCJ-OAHLLOKOSA-N -1 3 324.465 2.885 20 0 DFADHM O=C([O-])CC[C@H]1CCCCN1CCOCC(F)(F)C(F)F ZINC000424261346 429116645 /nfs/dbraw/zinc/11/66/45/429116645.db2.gz OZVUZDKOXRFJRC-SNVBAGLBSA-N -1 3 315.307 2.623 20 0 DFADHM C[C@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]1C(=O)[O-] ZINC000424266911 429116816 /nfs/dbraw/zinc/11/68/16/429116816.db2.gz JSDKDKOPXDQXKZ-LRDDRELGSA-N -1 3 317.364 2.697 20 0 DFADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424258373 429116839 /nfs/dbraw/zinc/11/68/39/429116839.db2.gz LVJKHGWZKSNWRN-PMPSAXMXSA-N -1 3 324.465 2.743 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000435400754 429139204 /nfs/dbraw/zinc/13/92/04/429139204.db2.gz HIPFFFGJRCKDEC-UVBJJODRSA-N -1 3 319.368 2.855 20 0 DFADHM CCc1cc(C(=O)N[C@@H]2COc3ccc(F)cc32)ccc1[O-] ZINC000487164732 429139207 /nfs/dbraw/zinc/13/92/07/429139207.db2.gz PUFUQFZAAVQWFQ-CQSZACIVSA-N -1 3 301.317 2.957 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000435400754 429139209 /nfs/dbraw/zinc/13/92/09/429139209.db2.gz HIPFFFGJRCKDEC-UVBJJODRSA-N -1 3 319.368 2.855 20 0 DFADHM CCCCCOc1ccc(CNC[C@@H]2OCC[C@H]2C(=O)[O-])cc1 ZINC000424618637 429164168 /nfs/dbraw/zinc/16/41/68/429164168.db2.gz MOOWTPYPLQVNFI-SJORKVTESA-N -1 3 321.417 2.835 20 0 DFADHM CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000364054955 429164234 /nfs/dbraw/zinc/16/42/34/429164234.db2.gz LEZDDGYAEDUGFG-INIZCTEOSA-N -1 3 310.353 2.617 20 0 DFADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1ccn(-c2ccccc2)n1 ZINC000424616060 429164260 /nfs/dbraw/zinc/16/42/60/429164260.db2.gz FSAIWBWNCDTKBY-CJNGLKHVSA-N -1 3 301.390 2.707 20 0 DFADHM CCN(CCCNC(=O)c1cccc([O-])c1)C(=O)OC(C)(C)C ZINC000494972067 429169584 /nfs/dbraw/zinc/16/95/84/429169584.db2.gz OTSPIPJRRGZHPN-UHFFFAOYSA-N -1 3 322.405 2.769 20 0 DFADHM Cc1ccc2c(c1)CN(C(=O)c1cc(=O)c3ccccc3[n-]1)C2 ZINC000435949881 429174257 /nfs/dbraw/zinc/17/42/57/429174257.db2.gz ODCPAYDUYVXHDD-UHFFFAOYSA-N -1 3 304.349 2.993 20 0 DFADHM C[C@@H]1CC[S@](=O)CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356408932 287813222 /nfs/dbraw/zinc/81/32/22/287813222.db2.gz SRQRCIVRVJTKAH-UZJPJQLHSA-N -1 3 321.364 2.754 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000436161261 429185376 /nfs/dbraw/zinc/18/53/76/429185376.db2.gz KFLIVALWHKKDCU-GFCCVEGCSA-N -1 3 315.391 2.553 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCc3cnc(C(C)C)nc3C2)n1 ZINC000364460548 429207493 /nfs/dbraw/zinc/20/74/93/429207493.db2.gz HORVWBRJCBLTBU-LBPRGKRZSA-N -1 3 313.405 2.523 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1Cc2cccc(Cl)c2C1 ZINC000489117412 429219411 /nfs/dbraw/zinc/21/94/11/429219411.db2.gz PUJVETORTAHNEK-UHFFFAOYSA-N -1 3 316.723 2.906 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1Cc2cccc(Cl)c2C1 ZINC000489117412 429219416 /nfs/dbraw/zinc/21/94/16/429219416.db2.gz PUJVETORTAHNEK-UHFFFAOYSA-N -1 3 316.723 2.906 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1Cc2cccc(Cl)c2C1 ZINC000489117412 429219421 /nfs/dbraw/zinc/21/94/21/429219421.db2.gz PUJVETORTAHNEK-UHFFFAOYSA-N -1 3 316.723 2.906 20 0 DFADHM O=C([N-]CCCSC[C@@H]1Cc2ccccc2O1)C(F)(F)F ZINC000364578160 429228139 /nfs/dbraw/zinc/22/81/39/429228139.db2.gz KGMWTTJRLPEHTF-NSHDSACASA-N -1 3 319.348 2.792 20 0 DFADHM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000495337311 429201381 /nfs/dbraw/zinc/20/13/81/429201381.db2.gz QACPKRLTVPOYKO-NSHDSACASA-N -1 3 324.402 2.641 20 0 DFADHM Cc1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])n[nH]1 ZINC000436953260 429204116 /nfs/dbraw/zinc/20/41/16/429204116.db2.gz NOGZDNCKQLOYGB-UHFFFAOYSA-N -1 3 309.325 3.468 20 0 DFADHM O=C1OCCN1c1cccc(CNCc2cc([O-])cc(F)c2)c1 ZINC000495381961 429204724 /nfs/dbraw/zinc/20/47/24/429204724.db2.gz HPDCLYFFADNOLI-UHFFFAOYSA-N -1 3 316.332 2.778 20 0 DFADHM COc1cc(C(=O)N[C@@H]2c3ccc(F)cc3O[C@H]2C)ccc1[O-] ZINC000489669189 429257289 /nfs/dbraw/zinc/25/72/89/429257289.db2.gz CUBKTOITODJVHI-FVMDXXJSSA-N -1 3 317.316 2.792 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C2(C)CCCC2)c1 ZINC000489735331 429258473 /nfs/dbraw/zinc/25/84/73/429258473.db2.gz DBPRYLUSRZARMK-UHFFFAOYSA-N -1 3 303.811 2.960 20 0 DFADHM Cc1c(NC(=O)c2ccc(C)c(C)c2[O-])cnn1[C@@H]1CCOC1 ZINC000456251016 429264458 /nfs/dbraw/zinc/26/44/58/429264458.db2.gz FSXLXKZDZFEEJZ-CYBMUJFWSA-N -1 3 315.373 2.728 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c(Cl)c1 ZINC000489973763 429270477 /nfs/dbraw/zinc/27/04/77/429270477.db2.gz VHUDVNBSXOACKM-UHFFFAOYSA-N -1 3 309.765 2.972 20 0 DFADHM Cc1cn(-c2ncccc2F)nc1NCc1cc([O-])cc(F)c1 ZINC000365041498 429272329 /nfs/dbraw/zinc/27/23/29/429272329.db2.gz BDODHXMXAKSONZ-UHFFFAOYSA-N -1 3 316.311 3.172 20 0 DFADHM CC[C@H](C)CS(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000502457942 429329834 /nfs/dbraw/zinc/32/98/34/429329834.db2.gz REZKSTQAQKWJEO-QWHCGFSZSA-N -1 3 321.483 2.708 20 0 DFADHM CC[C@@H](C)CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000502457941 429330201 /nfs/dbraw/zinc/33/02/01/429330201.db2.gz REZKSTQAQKWJEO-OLZOCXBDSA-N -1 3 321.483 2.708 20 0 DFADHM CSc1ccc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c([O-])c1 ZINC000365519705 429332814 /nfs/dbraw/zinc/33/28/14/429332814.db2.gz DUVKHTFOQREZRZ-NSHDSACASA-N -1 3 317.414 2.857 20 0 DFADHM Cc1ccc([C@H](C)CNC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000503619789 429334178 /nfs/dbraw/zinc/33/41/78/429334178.db2.gz RZSMEVOIHGISGN-LLVKDONJSA-N -1 3 312.348 2.939 20 0 DFADHM Cc1ccc([C@H](C)CNC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000503619789 429334181 /nfs/dbraw/zinc/33/41/81/429334181.db2.gz RZSMEVOIHGISGN-LLVKDONJSA-N -1 3 312.348 2.939 20 0 DFADHM Cc1ccc([C@H](C)CNC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000503619789 429334187 /nfs/dbraw/zinc/33/41/87/429334187.db2.gz RZSMEVOIHGISGN-LLVKDONJSA-N -1 3 312.348 2.939 20 0 DFADHM CSc1ccc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)c([O-])c1 ZINC000365527948 429335242 /nfs/dbraw/zinc/33/52/42/429335242.db2.gz ZNFMCUUUOOYLFU-NHYWBVRUSA-N -1 3 307.415 2.802 20 0 DFADHM O=C(c1cccs1)C1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000365549206 429341019 /nfs/dbraw/zinc/34/10/19/429341019.db2.gz SBAYBYNDIBWKAC-UHFFFAOYSA-N -1 3 322.411 2.645 20 0 DFADHM CC[C@@H]1CN(CC)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000456369006 429290214 /nfs/dbraw/zinc/29/02/14/429290214.db2.gz FRTYTFZRJKKBRA-OAHLLOKOSA-N -1 3 322.424 2.797 20 0 DFADHM CCOC(=O)N[C@@H](CNCc1ccc(C(=O)[O-])cc1)CC(C)C ZINC000496094213 429305398 /nfs/dbraw/zinc/30/53/98/429305398.db2.gz WBWSYGGIEJZNQV-OAHLLOKOSA-N -1 3 322.405 2.635 20 0 DFADHM CCCc1ncc(CNC(=O)Cc2ccc([O-])cc2Cl)o1 ZINC000456525028 429317969 /nfs/dbraw/zinc/31/79/69/429317969.db2.gz WFVFHZLDFFHMQB-UHFFFAOYSA-N -1 3 308.765 2.845 20 0 DFADHM CCc1cc(C(=O)N2CCC(n3cncc3C)CC2)ccc1[O-] ZINC000365878043 429394574 /nfs/dbraw/zinc/39/45/74/429394574.db2.gz HGCLMFFJZQWPEX-UHFFFAOYSA-N -1 3 313.401 2.937 20 0 DFADHM O=C([O-])[C@@H](CNCc1ccc(F)cc1)Oc1ccc(F)cc1 ZINC000426638805 429406320 /nfs/dbraw/zinc/40/63/20/429406320.db2.gz KOEARWPWOWFZDI-OAHLLOKOSA-N -1 3 307.296 2.587 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000518051506 429408679 /nfs/dbraw/zinc/40/86/79/429408679.db2.gz OHUKGAJCZBDIFJ-HNNXBMFYSA-N -1 3 301.317 2.957 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCc3c2cccc3F)c1 ZINC000511588689 429357716 /nfs/dbraw/zinc/35/77/16/429357716.db2.gz QDRWDHXMILYRLQ-OAHLLOKOSA-N -1 3 301.317 2.957 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)C2)c1[O-] ZINC000365707949 429362615 /nfs/dbraw/zinc/36/26/15/429362615.db2.gz STMVHTFQIBJHLT-KRWDZBQOSA-N -1 3 305.374 2.576 20 0 DFADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1O ZINC000426702091 429410722 /nfs/dbraw/zinc/41/07/22/429410722.db2.gz DIOSMKQXZWHPMQ-INIZCTEOSA-N -1 3 301.342 2.625 20 0 DFADHM COC(=O)c1ccc(-c2nc(-c3ccc(F)c(C)c3)no2)[n-]1 ZINC000426407737 429390394 /nfs/dbraw/zinc/39/03/94/429390394.db2.gz WIGUOXVPYUVBMO-UHFFFAOYSA-N -1 3 301.277 2.966 20 0 DFADHM O=C(/C=C\c1c(Cl)nc2ccccn21)[N-]OCC(F)(F)F ZINC000492119471 429470658 /nfs/dbraw/zinc/47/06/58/429470658.db2.gz PHQZGMYELIETMJ-PLNGDYQASA-N -1 3 319.670 2.611 20 0 DFADHM CC[C@@H](C)c1cc(C(=O)[N-]c2nc(CN(C)C)cs2)on1 ZINC000457320249 429445073 /nfs/dbraw/zinc/44/50/73/429445073.db2.gz ZKQNBVDQJFRIPD-SECBINFHSA-N -1 3 308.407 2.959 20 0 DFADHM CCc1ccc([O-])c(C(=O)N(Cc2cnn(C)c2)CC(C)C)c1 ZINC000457342041 429448351 /nfs/dbraw/zinc/44/83/51/429448351.db2.gz KQOLLSPIYJJNQN-UHFFFAOYSA-N -1 3 315.417 2.987 20 0 DFADHM Cc1ccc([O-])c(C(=O)N(Cc2cnn(C)c2)CC(C)C)c1 ZINC000457352501 429449457 /nfs/dbraw/zinc/44/94/57/429449457.db2.gz IQTGYUYJSKIVOV-UHFFFAOYSA-N -1 3 301.390 2.733 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NCCCc1ccccc1F ZINC000492028159 429453769 /nfs/dbraw/zinc/45/37/69/429453769.db2.gz CXFXFDJMNQGMEL-FPLPWBNLSA-N -1 3 300.333 2.689 20 0 DFADHM CC[C@H](C)Oc1ccccc1/C=C\C(=O)[N-]OC[C@H]1CCOC1 ZINC000492045803 429457836 /nfs/dbraw/zinc/45/78/36/429457836.db2.gz PBQOIAYFYSNLPX-ZNQSWUDVSA-N -1 3 319.401 2.961 20 0 DFADHM O=C(NCCc1ccon1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000427626890 429460764 /nfs/dbraw/zinc/46/07/64/429460764.db2.gz UUYRQQSPSQWCEO-UHFFFAOYSA-N -1 3 322.777 2.752 20 0 DFADHM CCC(C)(C)[C@H]1CCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427650976 429462341 /nfs/dbraw/zinc/46/23/41/429462341.db2.gz MEJDNQRRTMAFPK-OAHLLOKOSA-N -1 3 318.417 2.549 20 0 DFADHM CCCCC[C@@H]1CCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427768529 429468840 /nfs/dbraw/zinc/46/88/40/429468840.db2.gz RODKRRHBLODBEC-OAHLLOKOSA-N -1 3 318.417 2.693 20 0 DFADHM CCC[C@H](C)C[C@@H](NCc1cc2c(cc1OC)OCO2)C(=O)[O-] ZINC000426790255 429418067 /nfs/dbraw/zinc/41/80/67/429418067.db2.gz BXTKPCDHPTWNCA-WCQYABFASA-N -1 3 323.389 2.793 20 0 DFADHM Cc1cc(C(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)ccc1[O-] ZINC000457225097 429430525 /nfs/dbraw/zinc/43/05/25/429430525.db2.gz DULPDDXJYLEHHP-GOSISDBHSA-N -1 3 319.401 2.895 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C=Cc1ccc(F)cc1 ZINC000491916796 429433983 /nfs/dbraw/zinc/43/39/83/429433983.db2.gz WUTSJHLJMRVOLS-TWGQIWQCSA-N -1 3 317.320 2.686 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C=Cc1ccc(F)cc1 ZINC000491916796 429433987 /nfs/dbraw/zinc/43/39/87/429433987.db2.gz WUTSJHLJMRVOLS-TWGQIWQCSA-N -1 3 317.320 2.686 20 0 DFADHM O=C(/C=C/c1cc2c(c(Cl)c1)OCO2)[N-]OCC(F)(F)F ZINC000492119283 429470366 /nfs/dbraw/zinc/47/03/66/429470366.db2.gz OVRPNSMBFOGVIJ-OWOJBTEDSA-N -1 3 323.654 2.692 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000427147135 429435536 /nfs/dbraw/zinc/43/55/36/429435536.db2.gz JMFMHGVUFBENSX-QMMMGPOBSA-N -1 3 321.764 2.667 20 0 DFADHM C[C@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)C[C@@H](C2CC2)O1 ZINC000366226019 429436827 /nfs/dbraw/zinc/43/68/27/429436827.db2.gz UTOABNCGQPKRTA-BONVTDFDSA-N -1 3 309.793 2.614 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc(-c2cncnc2)cc1 ZINC000492398376 429529278 /nfs/dbraw/zinc/52/92/78/429529278.db2.gz LUMDQZMCJNBGOW-LZCJLJQNSA-N -1 3 318.336 2.896 20 0 DFADHM CC(C)c1nc(C(=O)[N-]c2n[nH]c(-c3ccncc3)n2)cs1 ZINC000366567678 429477111 /nfs/dbraw/zinc/47/71/11/429477111.db2.gz DJOBUBYAVLNEJN-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@@H](C)CCCC(F)(F)F)c(=O)[n-]1 ZINC000427969740 429479728 /nfs/dbraw/zinc/47/97/28/429479728.db2.gz ZLPXPKGOFTVMHT-QMMMGPOBSA-N -1 3 319.327 2.579 20 0 DFADHM [O-]c1cccc(CN(CCO)C2CCSCC2)c1Cl ZINC000449688579 429481946 /nfs/dbraw/zinc/48/19/46/429481946.db2.gz VPXPTLQKOPSULT-UHFFFAOYSA-N -1 3 301.839 2.736 20 0 DFADHM CC(C)c1ncc(C(=O)[N-]c2n[nH]c(-c3ccncc3)n2)s1 ZINC000366592280 429483501 /nfs/dbraw/zinc/48/35/01/429483501.db2.gz MXCRHGZCQSYULN-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM O=C(/C=C\c1ccc(Br)o1)[N-]OCc1cccnc1 ZINC000492185611 429484417 /nfs/dbraw/zinc/48/44/17/429484417.db2.gz VYWKHIFQROBLJT-XQRVVYSFSA-N -1 3 323.146 2.698 20 0 DFADHM O=C(Nc1nc2cc(F)ccc2[nH]1)c1c[n-]c2ccccc2c1=O ZINC000428036045 429486421 /nfs/dbraw/zinc/48/64/21/429486421.db2.gz QPSQVYIYVLHPKE-UHFFFAOYSA-N -1 3 322.299 2.796 20 0 DFADHM O=C(Nc1nc2cc(F)ccc2[nH]1)c1cnc2ccccc2c1[O-] ZINC000428036045 429486425 /nfs/dbraw/zinc/48/64/25/429486425.db2.gz QPSQVYIYVLHPKE-UHFFFAOYSA-N -1 3 322.299 2.796 20 0 DFADHM CCc1cc(N2CCc3[nH]nc(C(=O)[O-])c3C2)c2ccccc2n1 ZINC000519781941 429488018 /nfs/dbraw/zinc/48/80/18/429488018.db2.gz YCOHOIZEQUSHQI-UHFFFAOYSA-N -1 3 322.368 2.781 20 0 DFADHM C/C=C(/C=C\C(=O)NCCCNC(=O)c1cccc([O-])c1)CC ZINC000492234925 429493438 /nfs/dbraw/zinc/49/34/38/429493438.db2.gz YHAFYMRPVMCTSD-JXPHJQCQSA-N -1 3 316.401 2.541 20 0 DFADHM O=C1[N-]C(=O)c2cc(NCc3c[nH]nc3-c3ccsc3)ccc21 ZINC000428341130 429511025 /nfs/dbraw/zinc/51/10/25/429511025.db2.gz UTGHBSCQJPMVDH-UHFFFAOYSA-N -1 3 324.365 2.634 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccn2)C1 ZINC000520462954 429516715 /nfs/dbraw/zinc/51/67/15/429516715.db2.gz JAKJAVFUCVUCSP-HDJSIYSDSA-N -1 3 302.399 2.615 20 0 DFADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366808838 429518833 /nfs/dbraw/zinc/51/88/33/429518833.db2.gz KBVWMTSNIHLJCQ-PBFPGSCMSA-N -1 3 309.381 2.690 20 0 DFADHM O=c1[n-]nc(CN2CC=C(c3c(F)cccc3F)CC2)s1 ZINC000366963362 429549564 /nfs/dbraw/zinc/54/95/64/429549564.db2.gz PMIOODLMMRTCKE-UHFFFAOYSA-N -1 3 309.341 2.811 20 0 DFADHM CC(C)n1c(CNC(=O)Cc2cncc([O-])c2)nc2ccccc21 ZINC000521370430 429549601 /nfs/dbraw/zinc/54/96/01/429549601.db2.gz TZPOHPYXGVBXMF-UHFFFAOYSA-N -1 3 324.384 2.577 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NCc1ccc(Cl)cc1F ZINC000492665036 429589269 /nfs/dbraw/zinc/58/92/69/429589269.db2.gz YYYCKFFCWBDSQC-RJRFIUFISA-N -1 3 306.724 2.909 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCc2c(F)ccc(F)c2C1 ZINC000492521656 429556362 /nfs/dbraw/zinc/55/63/62/429556362.db2.gz QKFREACPXHQMKX-DAFODLJHSA-N -1 3 316.307 2.664 20 0 DFADHM Cc1ccccc1O[C@H](C)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492519291 429556499 /nfs/dbraw/zinc/55/64/99/429556499.db2.gz JLJCOCMAWJYZCD-WBTMPAOCSA-N -1 3 312.369 2.693 20 0 DFADHM CCc1cc(C(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)ccc1[O-] ZINC000457970667 429557824 /nfs/dbraw/zinc/55/78/24/429557824.db2.gz ZHDKJEVQPATRPP-CABCVRRESA-N -1 3 301.386 2.596 20 0 DFADHM CCc1cnc(CN(C)C(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000450032718 429558503 /nfs/dbraw/zinc/55/85/03/429558503.db2.gz NHYMCGIJMCPMCU-UHFFFAOYSA-N -1 3 308.378 2.751 20 0 DFADHM O=C(/C=C/c1ccc(SC(F)F)cc1)[N-]O[C@H]1CCOC1 ZINC000492533272 429560761 /nfs/dbraw/zinc/56/07/61/429560761.db2.gz JGKQCXVOSZRPJI-GQOHGMTASA-N -1 3 315.341 2.851 20 0 DFADHM CO[C@]1(C)C[C@H](N(C)C(=O)Cc2ccc([O-])c(F)c2)C1(C)C ZINC000450053480 429561821 /nfs/dbraw/zinc/56/18/21/429561821.db2.gz RFNMQPJKAZSQDY-WMLDXEAASA-N -1 3 309.381 2.736 20 0 DFADHM CN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@@H]1CC1(C)C ZINC000521659973 429562656 /nfs/dbraw/zinc/56/26/56/429562656.db2.gz BVCYRUBJFRWYHN-GFCCVEGCSA-N -1 3 306.312 2.677 20 0 DFADHM CCOc1nc2cc(C(=O)NC3CCC(OC)CC3)ccc2[n-]1 ZINC000458058731 429573218 /nfs/dbraw/zinc/57/32/18/429573218.db2.gz HDWDWGFEXZYYFR-UHFFFAOYSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)NC3CCC(OC)CC3)cc2[n-]1 ZINC000458058731 429573222 /nfs/dbraw/zinc/57/32/22/429573222.db2.gz HDWDWGFEXZYYFR-UHFFFAOYSA-N -1 3 317.389 2.649 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000450163973 429574548 /nfs/dbraw/zinc/57/45/48/429574548.db2.gz UHIABDDSFQYTNC-KHYOSLBOSA-N -1 3 311.356 2.776 20 0 DFADHM Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)[N-]OCC(F)F ZINC000492603018 429575167 /nfs/dbraw/zinc/57/51/67/429575167.db2.gz KYPDPCDJTFCGIF-HJWRWDBZSA-N -1 3 321.327 2.815 20 0 DFADHM COC(=O)c1ccc(F)c(CN2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000522005929 429575939 /nfs/dbraw/zinc/57/59/39/429575939.db2.gz IECKQCXELYHAQE-CQSZACIVSA-N -1 3 323.364 2.832 20 0 DFADHM Cc1noc(C)c1[C@H](C)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000450199947 429579209 /nfs/dbraw/zinc/57/92/09/429579209.db2.gz HQXVTKRLBADPPG-SECBINFHSA-N -1 3 306.337 2.599 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000492621324 429581522 /nfs/dbraw/zinc/58/15/22/429581522.db2.gz LMPCKVMVTYKTRG-DLRQAJBASA-N -1 3 300.280 2.601 20 0 DFADHM O=C(NC1CCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522150085 429582687 /nfs/dbraw/zinc/58/26/87/429582687.db2.gz QVXZBASXCQJOSP-UHFFFAOYSA-N -1 3 321.174 2.573 20 0 DFADHM CCOc1ccc(/C=C\C(=O)[N-]OC2CCOCC2)cc1C ZINC000492649761 429586523 /nfs/dbraw/zinc/58/65/23/429586523.db2.gz QATNDJIRXGYJST-ALCCZGGFSA-N -1 3 305.374 2.634 20 0 DFADHM O=C(Nc1ccc(-c2nncs2)cc1)c1ccc2n[n-]nc2c1 ZINC000520876913 429532280 /nfs/dbraw/zinc/53/22/80/429532280.db2.gz ZKMMHKALZNLJCX-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM C[C@H](NC(=O)/C=C/c1cncc([O-])c1)c1c(F)cccc1F ZINC000492449325 429539930 /nfs/dbraw/zinc/53/99/30/429539930.db2.gz ZDFXWLQEQZKWNP-PORFMDCZSA-N -1 3 304.296 2.956 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCC(C)(OC)CC3)ccc2[n-]1 ZINC000428644076 429541306 /nfs/dbraw/zinc/54/13/06/429541306.db2.gz TYCXZALVNMACCF-UHFFFAOYSA-N -1 3 317.389 2.603 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCC(C)(OC)CC3)cc2[n-]1 ZINC000428644076 429541308 /nfs/dbraw/zinc/54/13/08/429541308.db2.gz TYCXZALVNMACCF-UHFFFAOYSA-N -1 3 317.389 2.603 20 0 DFADHM O=C(/C=C\c1cc(Cl)ccc1Cl)[N-]O[C@@H]1CCOC1 ZINC000492466332 429544144 /nfs/dbraw/zinc/54/41/44/429544144.db2.gz AUBBWYNKGFCMCT-PNDGHQIGSA-N -1 3 302.157 2.843 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1cc2c(cc1Cl)OCO2 ZINC000492476690 429546523 /nfs/dbraw/zinc/54/65/23/429546523.db2.gz SZZGOUGNXBPZHD-OWOJBTEDSA-N -1 3 318.716 2.821 20 0 DFADHM CN(C/C=C/C(=O)Nc1ccc([O-])cc1F)CC(F)(F)F ZINC000492829689 429624853 /nfs/dbraw/zinc/62/48/53/429624853.db2.gz NSQYHQFKXLKNCO-NSCUHMNNSA-N -1 3 306.259 2.520 20 0 DFADHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429881874 429637023 /nfs/dbraw/zinc/63/70/23/429637023.db2.gz DTLNGKJJOKZZRW-KCJUWKMLSA-N -1 3 324.229 2.697 20 0 DFADHM CCOc1ccc([C@@H](COC)[N-]c2nnc(C(C)C)o2)cc1 ZINC000450517272 429641932 /nfs/dbraw/zinc/64/19/32/429641932.db2.gz NCGJYILPHSNFFZ-CQSZACIVSA-N -1 3 305.378 3.391 20 0 DFADHM CCc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C)on1 ZINC000524946228 429642569 /nfs/dbraw/zinc/64/25/69/429642569.db2.gz NCAKJPXKMWYBSN-UHFFFAOYSA-N -1 3 314.794 2.677 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)C(=O)c1ccc(Cl)s1 ZINC000430051798 429646303 /nfs/dbraw/zinc/64/63/03/429646303.db2.gz GTRQZMNECHLEAX-UHFFFAOYSA-N -1 3 322.733 2.601 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)C(=O)c1ccc(Cl)s1 ZINC000430051798 429646307 /nfs/dbraw/zinc/64/63/07/429646307.db2.gz GTRQZMNECHLEAX-UHFFFAOYSA-N -1 3 322.733 2.601 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C(=O)c1ccc(Cl)s1 ZINC000430051798 429646312 /nfs/dbraw/zinc/64/63/12/429646312.db2.gz GTRQZMNECHLEAX-UHFFFAOYSA-N -1 3 322.733 2.601 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(F)c(C)c1 ZINC000525150589 429647044 /nfs/dbraw/zinc/64/70/44/429647044.db2.gz DENWSFGOUDWWLJ-UHFFFAOYSA-N -1 3 305.309 2.595 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(F)c(C)c1 ZINC000525150589 429647047 /nfs/dbraw/zinc/64/70/47/429647047.db2.gz DENWSFGOUDWWLJ-UHFFFAOYSA-N -1 3 305.309 2.595 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC(CC(F)(F)F)CC1 ZINC000492930579 429648897 /nfs/dbraw/zinc/64/88/97/429648897.db2.gz PQGMIVWBTBNGGT-OWOJBTEDSA-N -1 3 314.307 2.991 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000492947810 429651549 /nfs/dbraw/zinc/65/15/49/429651549.db2.gz HPAAWHACJGNSIZ-APHBUQMISA-N -1 3 316.401 2.799 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(-c2cccnc2)ccc1C ZINC000367179173 429592337 /nfs/dbraw/zinc/59/23/37/429592337.db2.gz MWDRMKWBMDKWTH-CYBMUJFWSA-N -1 3 320.414 2.834 20 0 DFADHM CCO[C@@H]1C[C@H](NCc2nc(CC)cc(=O)[n-]2)C1(CC)CC ZINC000429340476 429600498 /nfs/dbraw/zinc/60/04/98/429600498.db2.gz IZVCLOLJRZFCMQ-UONOGXRCSA-N -1 3 307.438 2.818 20 0 DFADHM CO[C@@H]1C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C12CCC2 ZINC000458207559 429601563 /nfs/dbraw/zinc/60/15/63/429601563.db2.gz YGOGKJOGCFTOQK-HZPDHXFCSA-N -1 3 321.392 2.928 20 0 DFADHM Cc1cc(C2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)[nH]n1 ZINC000450375034 429612870 /nfs/dbraw/zinc/61/28/70/429612870.db2.gz DLDCDBFQHXBWPS-UHFFFAOYSA-N -1 3 317.364 2.512 20 0 DFADHM CCOc1nc2cc(C(=O)NCC(C)(C)CCOC)ccc2[n-]1 ZINC000450604937 429657861 /nfs/dbraw/zinc/65/78/61/429657861.db2.gz MTBDBNQMPPPGIL-UHFFFAOYSA-N -1 3 319.405 2.754 20 0 DFADHM CCOc1nc2ccc(C(=O)NCC(C)(C)CCOC)cc2[n-]1 ZINC000450604937 429657865 /nfs/dbraw/zinc/65/78/65/429657865.db2.gz MTBDBNQMPPPGIL-UHFFFAOYSA-N -1 3 319.405 2.754 20 0 DFADHM Cc1ccc(C)c(CN(C)C(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000430209954 429663188 /nfs/dbraw/zinc/66/31/88/429663188.db2.gz ZSTOMWZKGQDNPI-UHFFFAOYSA-N -1 3 313.401 2.617 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](CC)c3ncc[nH]3)ccc2[n-]1 ZINC000450672955 429674591 /nfs/dbraw/zinc/67/45/91/429674591.db2.gz MLBWLEFEHCQXCP-NSHDSACASA-N -1 3 313.361 2.566 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](CC)c3ncc[nH]3)cc2[n-]1 ZINC000450672955 429674594 /nfs/dbraw/zinc/67/45/94/429674594.db2.gz MLBWLEFEHCQXCP-NSHDSACASA-N -1 3 313.361 2.566 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](CC)c3ncc[nH]3)ccc2[n-]1 ZINC000450672954 429675068 /nfs/dbraw/zinc/67/50/68/429675068.db2.gz MLBWLEFEHCQXCP-LLVKDONJSA-N -1 3 313.361 2.566 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](CC)c3ncc[nH]3)cc2[n-]1 ZINC000450672954 429675072 /nfs/dbraw/zinc/67/50/72/429675072.db2.gz MLBWLEFEHCQXCP-LLVKDONJSA-N -1 3 313.361 2.566 20 0 DFADHM COCCOc1ccc(CC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000430278591 429672243 /nfs/dbraw/zinc/67/22/43/429672243.db2.gz JPISJNLKAWIZQC-UHFFFAOYSA-N -1 3 319.332 2.738 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCC[C@H](O)C1 ZINC000525886710 429683941 /nfs/dbraw/zinc/68/39/41/429683941.db2.gz UNKYETSKLHWTLB-SCZZXKLOSA-N -1 3 314.179 2.644 20 0 DFADHM COCCCn1c(=O)[n-]nc1SC[C@H]1CCCC1(F)F ZINC000450715305 429682403 /nfs/dbraw/zinc/68/24/03/429682403.db2.gz YTITUJGARMUOFD-SECBINFHSA-N -1 3 307.366 2.548 20 0 DFADHM COc1ccc([N-]S(C)(=O)=O)c(OCc2ccccc2)c1 ZINC000525877732 429684530 /nfs/dbraw/zinc/68/45/30/429684530.db2.gz CSSWERAPIFQKDL-UHFFFAOYSA-N -1 3 307.371 2.646 20 0 DFADHM CC(C)Oc1ccc(CCNC(=O)c2csc(=O)[n-]2)cc1 ZINC000525913998 429685255 /nfs/dbraw/zinc/68/52/55/429685255.db2.gz TUYKUVSUHUPLBG-UHFFFAOYSA-N -1 3 306.387 2.608 20 0 DFADHM COC(=O)c1c(C)[n-]c(=O)nc1SCCCCCC(C)=O ZINC000450735797 429688454 /nfs/dbraw/zinc/68/84/54/429688454.db2.gz GNOSAKBYAAFCQF-UHFFFAOYSA-N -1 3 312.391 2.519 20 0 DFADHM CCc1cc2c(CN3CCOCC[C@@H]3C)cc(=O)oc2cc1[O-] ZINC000367666883 429695189 /nfs/dbraw/zinc/69/51/89/429695189.db2.gz WGEJRJCHSBBEOG-LBPRGKRZSA-N -1 3 317.385 2.672 20 0 DFADHM CCc1[nH]nc(NCc2cccc([O-])c2Br)c1C ZINC000459451851 429697315 /nfs/dbraw/zinc/69/73/15/429697315.db2.gz VTBADGOWZKSKMM-UHFFFAOYSA-N -1 3 310.195 3.361 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000526123547 429704132 /nfs/dbraw/zinc/70/41/32/429704132.db2.gz LIBSYOWURCZMNB-AWEZNQCLSA-N -1 3 324.359 2.944 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000526123547 429704137 /nfs/dbraw/zinc/70/41/37/429704137.db2.gz LIBSYOWURCZMNB-AWEZNQCLSA-N -1 3 324.359 2.944 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000526123547 429704142 /nfs/dbraw/zinc/70/41/42/429704142.db2.gz LIBSYOWURCZMNB-AWEZNQCLSA-N -1 3 324.359 2.944 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCCC[C@H]1c1ncon1 ZINC000450814554 429705008 /nfs/dbraw/zinc/70/50/08/429705008.db2.gz QPJTYKJMJRZKKX-ZDUSSCGKSA-N -1 3 319.336 2.601 20 0 DFADHM C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)CCCC(=O)[O-] ZINC000430661841 429707059 /nfs/dbraw/zinc/70/70/59/429707059.db2.gz IGATWBXXOAITHC-CHWSQXEVSA-N -1 3 324.446 2.597 20 0 DFADHM CN(CCCC(=O)[O-])CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000430670046 429709639 /nfs/dbraw/zinc/70/96/39/429709639.db2.gz LOKSLYUCBJRELP-UHFFFAOYSA-N -1 3 320.433 2.610 20 0 DFADHM CSc1ccccc1NC(=O)[C@H](C)N(C)CCCC(=O)[O-] ZINC000430672823 429709726 /nfs/dbraw/zinc/70/97/26/429709726.db2.gz WZXRXRAHWNWRCP-NSHDSACASA-N -1 3 310.419 2.532 20 0 DFADHM CCc1cccc(C(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)c1[O-] ZINC000527009223 429715697 /nfs/dbraw/zinc/71/56/97/429715697.db2.gz WAWOLDYLNWOGSE-GOSISDBHSA-N -1 3 324.380 2.568 20 0 DFADHM COc1ccc(Cl)c(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000527108335 429724151 /nfs/dbraw/zinc/72/41/51/429724151.db2.gz ACXWDBCSIACISA-UHFFFAOYSA-N -1 3 302.721 2.872 20 0 DFADHM COc1ccc(Cl)c(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000527108335 429724156 /nfs/dbraw/zinc/72/41/56/429724156.db2.gz ACXWDBCSIACISA-UHFFFAOYSA-N -1 3 302.721 2.872 20 0 DFADHM COc1ccc(Cl)c(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000527108335 429724159 /nfs/dbraw/zinc/72/41/59/429724159.db2.gz ACXWDBCSIACISA-UHFFFAOYSA-N -1 3 302.721 2.872 20 0 DFADHM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc2nn[n-]c21 ZINC000527116037 429724930 /nfs/dbraw/zinc/72/49/30/429724930.db2.gz FLTUUBVAZITOER-CYBMUJFWSA-N -1 3 320.274 2.991 20 0 DFADHM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc2[n-]nnc21 ZINC000527116037 429724933 /nfs/dbraw/zinc/72/49/33/429724933.db2.gz FLTUUBVAZITOER-CYBMUJFWSA-N -1 3 320.274 2.991 20 0 DFADHM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000527116037 429724939 /nfs/dbraw/zinc/72/49/39/429724939.db2.gz FLTUUBVAZITOER-CYBMUJFWSA-N -1 3 320.274 2.991 20 0 DFADHM COc1cccc(C2=CCN(C(=O)c3cccc4[n-]nnc43)C2)c1 ZINC000527112520 429725008 /nfs/dbraw/zinc/72/50/08/429725008.db2.gz SNCQNLIMEXPZCV-UHFFFAOYSA-N -1 3 320.352 2.506 20 0 DFADHM COc1cccc(C2=CCN(C(=O)c3cccc4nn[n-]c43)C2)c1 ZINC000527112520 429725014 /nfs/dbraw/zinc/72/50/14/429725014.db2.gz SNCQNLIMEXPZCV-UHFFFAOYSA-N -1 3 320.352 2.506 20 0 DFADHM COc1cccc(C2=CCN(C(=O)c3cccc4n[n-]nc43)C2)c1 ZINC000527112520 429725018 /nfs/dbraw/zinc/72/50/18/429725018.db2.gz SNCQNLIMEXPZCV-UHFFFAOYSA-N -1 3 320.352 2.506 20 0 DFADHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cccc2[n-]nnc21 ZINC000527114997 429725158 /nfs/dbraw/zinc/72/51/58/429725158.db2.gz IDLHRYWKVUVJPL-SCZZXKLOSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cccc2nn[n-]c21 ZINC000527114997 429725161 /nfs/dbraw/zinc/72/51/61/429725161.db2.gz IDLHRYWKVUVJPL-SCZZXKLOSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cccc2n[n-]nc21 ZINC000527114997 429725163 /nfs/dbraw/zinc/72/51/63/429725163.db2.gz IDLHRYWKVUVJPL-SCZZXKLOSA-N -1 3 312.295 2.761 20 0 DFADHM CCc1cccc(C(=O)Nc2cccc(-c3c[nH]nn3)c2)c1[O-] ZINC000527204907 429730434 /nfs/dbraw/zinc/73/04/34/429730434.db2.gz FTIKPKAXQDYVJP-UHFFFAOYSA-N -1 3 308.341 2.992 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cn1 ZINC000430977411 429732275 /nfs/dbraw/zinc/73/22/75/429732275.db2.gz WEZJLZYZQUOVMH-UHFFFAOYSA-N -1 3 300.742 2.983 20 0 DFADHM C[C@H](NC(=O)/C=C\c1cncc([O-])c1)c1nc2c(s1)CCC2 ZINC000493327168 429737986 /nfs/dbraw/zinc/73/79/86/429737986.db2.gz BKTVKHVDDCJTNB-OMMCCPJFSA-N -1 3 315.398 2.623 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)s1 ZINC000431087158 429741127 /nfs/dbraw/zinc/74/11/27/429741127.db2.gz AHQDSZPZPTZTEG-UHFFFAOYSA-N -1 3 302.808 2.583 20 0 DFADHM CC(C)(CO)O[N-]C(=O)/C=C\c1c(Cl)cccc1Cl ZINC000493358292 429743710 /nfs/dbraw/zinc/74/37/10/429743710.db2.gz SVUJNDFXHGVWKP-SREVYHEPSA-N -1 3 304.173 2.825 20 0 DFADHM COCCO[N-]C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 ZINC000493632655 429800124 /nfs/dbraw/zinc/80/01/24/429800124.db2.gz WHOJKJMDPVJXNN-VOTSOKGWSA-N -1 3 306.749 2.596 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)c1 ZINC000451285681 429804944 /nfs/dbraw/zinc/80/49/44/429804944.db2.gz LWFQLNPIHBJIDA-TZMCWYRMSA-N -1 3 317.476 2.786 20 0 DFADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NCc1cscn1 ZINC000368186226 429805458 /nfs/dbraw/zinc/80/54/58/429805458.db2.gz ZMFPAOMTEPJZNY-UHFFFAOYSA-N -1 3 305.794 2.626 20 0 DFADHM Fc1ccc(F)c2c1OCC[C@H]2[N-]c1nnc(C(F)F)o1 ZINC000432166521 429806566 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/nfs/dbraw/zinc/57/58/86/430575886.db2.gz PSUCIEWIZASBEW-UHFFFAOYSA-N -1 3 319.324 2.794 20 0 DFADHM C[C@@H]1CSC[C@H]1NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000552024767 430578790 /nfs/dbraw/zinc/57/87/90/430578790.db2.gz IASMGWGMARAZSP-MWLCHTKSSA-N -1 3 315.398 2.923 20 0 DFADHM COc1cccc(OCCN(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000570853016 430582641 /nfs/dbraw/zinc/58/26/41/430582641.db2.gz DKBVECFWAWSJHC-UHFFFAOYSA-N -1 3 315.369 2.904 20 0 DFADHM CCc1cccc(C(=O)N2CC=C(c3ccnn3C)CC2)c1[O-] ZINC000552792403 430602130 /nfs/dbraw/zinc/60/21/30/430602130.db2.gz DXAZNIKXCWMDST-UHFFFAOYSA-N -1 3 311.385 2.618 20 0 DFADHM Cc1nnc(NC(=O)c2c[n-]nc2-c2ccccc2)n1C1CC1 ZINC000552471652 430598703 /nfs/dbraw/zinc/59/87/03/430598703.db2.gz RSXOSPWYWXPUOC-UHFFFAOYSA-N -1 3 308.345 2.564 20 0 DFADHM Cc1nnc(NC(=O)c2cn[n-]c2-c2ccccc2)n1C1CC1 ZINC000552471652 430598706 /nfs/dbraw/zinc/59/87/06/430598706.db2.gz RSXOSPWYWXPUOC-UHFFFAOYSA-N -1 3 308.345 2.564 20 0 DFADHM CC[C@H]1CN2CCCC[C@@H]2CN1Cc1cccc(C(=O)[O-])c1 ZINC000643434809 430599605 /nfs/dbraw/zinc/59/96/05/430599605.db2.gz LIHOVPHXJSSJFM-DLBZAZTESA-N -1 3 302.418 2.834 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000570469784 430545794 /nfs/dbraw/zinc/54/57/94/430545794.db2.gz CFEAXVCWKJZRGC-QWHCGFSZSA-N -1 3 317.776 2.796 20 0 DFADHM Cc1ccnc([C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C2)c1 ZINC000571818155 430655136 /nfs/dbraw/zinc/65/51/36/430655136.db2.gz OFSVAARWOWPUQR-AWEZNQCLSA-N -1 3 310.401 2.753 20 0 DFADHM COC1(CNC(=O)c2c[n-]nc2-c2ccccn2)CCCCC1 ZINC000555086782 430659342 /nfs/dbraw/zinc/65/93/42/430659342.db2.gz AKGQKXAMEZFRIM-UHFFFAOYSA-N -1 3 314.389 2.551 20 0 DFADHM O=C([O-])c1coc(CN(CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000571219437 430613068 /nfs/dbraw/zinc/61/30/68/430613068.db2.gz FUSNTKLPPZKXGS-INIZCTEOSA-N -1 3 315.369 2.811 20 0 DFADHM CCC[C@H](C)S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000571235895 430614065 /nfs/dbraw/zinc/61/40/65/430614065.db2.gz HDDVTPAGMNJJNQ-ZDUSSCGKSA-N -1 3 307.419 2.862 20 0 DFADHM Cc1ncc2n1C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])CC2 ZINC000553367126 430615562 /nfs/dbraw/zinc/61/55/62/430615562.db2.gz ATAMSOVLQIPXCP-SNVBAGLBSA-N -1 3 305.765 2.752 20 0 DFADHM CCCN(C(=O)c1cccc(CC)c1[O-])[C@H](C)C(=O)OCC ZINC000571268661 430615593 /nfs/dbraw/zinc/61/55/93/430615593.db2.gz DMJDCMFJGAPLQY-GFCCVEGCSA-N -1 3 307.390 2.758 20 0 DFADHM OC[C@H]([N-]c1nnc(C2CC2)o1)c1ccc(C(F)(F)F)cc1 ZINC000553481121 430617950 /nfs/dbraw/zinc/61/79/50/430617950.db2.gz FGAKMMVVHZOTCK-NSHDSACASA-N -1 3 313.279 3.111 20 0 DFADHM CCCCO[C@@H]1C[C@@H](N(C)C(=O)Cc2cncc([O-])c2)C1(C)C ZINC000553497560 430618255 /nfs/dbraw/zinc/61/82/55/430618255.db2.gz SOPKYBRSVPJBGQ-HZPDHXFCSA-N -1 3 320.433 2.772 20 0 DFADHM O=C([N-]c1nc2n(n1)CCCC2)c1cc2cc(F)ccc2o1 ZINC000571380017 430623224 /nfs/dbraw/zinc/62/32/24/430623224.db2.gz NWXVEQLEIZMCQF-UHFFFAOYSA-N -1 3 300.293 2.752 20 0 DFADHM CC(C)[C@H]1N(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC12CCC2 ZINC000571418639 430627396 /nfs/dbraw/zinc/62/73/96/430627396.db2.gz ZJIRHUQUJZEGLJ-CQSZACIVSA-N -1 3 301.390 2.710 20 0 DFADHM O=C(N[C@@H](c1ccccc1)C(F)F)c1cccc2nn[n-]c21 ZINC000554332714 430632659 /nfs/dbraw/zinc/63/26/59/430632659.db2.gz ARYVVEHHYYLWOW-LBPRGKRZSA-N -1 3 302.284 2.694 20 0 DFADHM O=C(N[C@@H](c1ccccc1)C(F)F)c1cccc2[n-]nnc21 ZINC000554332714 430632662 /nfs/dbraw/zinc/63/26/62/430632662.db2.gz ARYVVEHHYYLWOW-LBPRGKRZSA-N -1 3 302.284 2.694 20 0 DFADHM O=C(N[C@@H](c1ccccc1)C(F)F)c1cccc2n[n-]nc21 ZINC000554332714 430632663 /nfs/dbraw/zinc/63/26/63/430632663.db2.gz ARYVVEHHYYLWOW-LBPRGKRZSA-N -1 3 302.284 2.694 20 0 DFADHM COc1cccc2c1O[C@@H](c1ccc(F)c(F)c1F)[N-]C2=O ZINC000639427550 430638089 /nfs/dbraw/zinc/63/80/89/430638089.db2.gz FMXUSOWBWVLUFH-HNNXBMFYSA-N -1 3 309.243 2.934 20 0 DFADHM C[C@H]1CCCN(Cc2ccn(-c3cccc(F)c3)n2)[C@@H]1C(=O)[O-] ZINC000643882596 430638931 /nfs/dbraw/zinc/63/89/31/430638931.db2.gz QIERNJFVLIZRNR-LRDDRELGSA-N -1 3 317.364 2.697 20 0 DFADHM CCc1cc(C(=O)Nc2ccccc2-n2cncn2)ccc1[O-] ZINC000643931443 430643710 /nfs/dbraw/zinc/64/37/10/430643710.db2.gz NGGBUQCIGWRTAM-UHFFFAOYSA-N -1 3 308.341 2.788 20 0 DFADHM CCc1cc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)ccc1[O-] ZINC000644126488 430665890 /nfs/dbraw/zinc/66/58/90/430665890.db2.gz RWBZBKFKSOFHFS-TVQRCGJNSA-N -1 3 317.307 2.746 20 0 DFADHM O=C([O-])CCN(Cc1cccc(Cl)c1F)C1CCOCC1 ZINC000572000414 430666765 /nfs/dbraw/zinc/66/67/65/430666765.db2.gz ILBRRRZIBTYEKV-UHFFFAOYSA-N -1 3 315.772 2.935 20 0 DFADHM O=C(C[C@@H]1CCCO1)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000572028243 430667773 /nfs/dbraw/zinc/66/77/73/430667773.db2.gz OVCJBAMEJNQSDG-LBPRGKRZSA-N -1 3 323.356 2.528 20 0 DFADHM O=C(C[C@@H]1CCCO1)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000572028243 430667778 /nfs/dbraw/zinc/66/77/78/430667778.db2.gz OVCJBAMEJNQSDG-LBPRGKRZSA-N -1 3 323.356 2.528 20 0 DFADHM O=C(C[C@@H]1CCCO1)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000572028243 430667780 /nfs/dbraw/zinc/66/77/80/430667780.db2.gz OVCJBAMEJNQSDG-LBPRGKRZSA-N -1 3 323.356 2.528 20 0 DFADHM O=C([O-])c1cnc2cc3c(cc2c1N1CCC=C(F)C1)OCO3 ZINC000572043842 430669275 /nfs/dbraw/zinc/66/92/75/430669275.db2.gz SDOGDQGPHKYJPL-UHFFFAOYSA-N -1 3 316.288 2.725 20 0 DFADHM Cc1ccccc1-c1noc([C@H](C)Sc2n[n-]c(CO)n2)n1 ZINC000555865554 430675067 /nfs/dbraw/zinc/67/50/67/430675067.db2.gz PAOIPDXWOQJBKA-VIFPVBQESA-N -1 3 317.374 2.509 20 0 DFADHM C[C@@H](CC(=O)[O-])N(C)Cc1cc(F)cc(Br)c1 ZINC000572258382 430679724 /nfs/dbraw/zinc/67/97/24/430679724.db2.gz OWYXOCNXXGSADC-QMMMGPOBSA-N -1 3 304.159 2.883 20 0 DFADHM C[C@H]1CCN(Cc2cnc(-c3ccncc3)s2)C[C@H]1C(=O)[O-] ZINC000572404343 430686064 /nfs/dbraw/zinc/68/60/64/430686064.db2.gz GMYAJLOVALITNT-SMDDNHRTSA-N -1 3 317.414 2.748 20 0 DFADHM CN(Cc1nc2ccccc2o1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000556775082 430692290 /nfs/dbraw/zinc/69/22/90/430692290.db2.gz XRUZXNQLHWAIBV-UHFFFAOYSA-N -1 3 310.357 2.833 20 0 DFADHM O=C([O-])C[C@H]1CCCN1Cc1ccc(-c2ncco2)cc1F ZINC000572533058 430689817 /nfs/dbraw/zinc/68/98/17/430689817.db2.gz PXMFXAHFDCXDDX-CYBMUJFWSA-N -1 3 304.321 2.920 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1[O-] ZINC000556812863 430693676 /nfs/dbraw/zinc/69/36/76/430693676.db2.gz ULGGWKAZSTYTQW-MRXNPFEDSA-N -1 3 310.353 2.967 20 0 DFADHM Cn1ccnc1[C@@H]1OCC[C@H]1CNCc1cccc([O-])c1Cl ZINC000657733023 430720398 /nfs/dbraw/zinc/72/03/98/430720398.db2.gz SZHWHITYFJJRSD-SWLSCSKDSA-N -1 3 321.808 2.647 20 0 DFADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@@H](CC(=O)[O-])CC1 ZINC000648422632 430782610 /nfs/dbraw/zinc/78/26/10/430782610.db2.gz XPXGNHDFOQHNRM-OAGGEKHMSA-N -1 3 324.465 2.600 20 0 DFADHM CN(CC1CCCCC1)C(=O)CN1CCC[C@H](CC(=O)[O-])CC1 ZINC000648422178 430782932 /nfs/dbraw/zinc/78/29/32/430782932.db2.gz KGHWPFNOLKOMNS-HNNXBMFYSA-N -1 3 324.465 2.602 20 0 DFADHM CCN=c1[n-]c(C(=O)N2CCc3sccc3[C@H]2C)cs1 ZINC000648534842 430817162 /nfs/dbraw/zinc/81/71/62/430817162.db2.gz GKXMBFFJCOPQJC-SECBINFHSA-N -1 3 307.444 2.818 20 0 DFADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651572615 430822536 /nfs/dbraw/zinc/82/25/36/430822536.db2.gz YTCFFVZTCOLVPA-ZANVPECISA-N -1 3 323.817 2.555 20 0 DFADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651572301 430823147 /nfs/dbraw/zinc/82/31/47/430823147.db2.gz OINCCJRAFIIRMI-CYBMUJFWSA-N -1 3 323.817 2.555 20 0 DFADHM C[C@H](NC(=O)NCc1ncccc1[O-])C1CCC(F)(F)CC1 ZINC000654708594 430784322 /nfs/dbraw/zinc/78/43/22/430784322.db2.gz DUJQNYBRTLILOC-JTQLQIEISA-N -1 3 313.348 2.800 20 0 DFADHM C[C@@]1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1(F)F ZINC000648430904 430784590 /nfs/dbraw/zinc/78/45/90/430784590.db2.gz BWWJHNOUGOZQES-QMMMGPOBSA-N -1 3 317.645 2.505 20 0 DFADHM Cc1cc(Br)oc1C(=O)[N-]c1nnc(C)s1 ZINC000044285462 278627935 /nfs/dbraw/zinc/62/79/35/278627935.db2.gz CEOIBPYBSULXPJ-UHFFFAOYSA-N -1 3 302.153 2.763 20 0 DFADHM C[C@@]1(CCNC(=O)NCc2ccc([O-])c(F)c2)CC1(F)F ZINC000661846815 430863475 /nfs/dbraw/zinc/86/34/75/430863475.db2.gz FXMOITIXSZPIPU-CYBMUJFWSA-N -1 3 302.296 2.766 20 0 DFADHM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651755040 430867929 /nfs/dbraw/zinc/86/79/29/430867929.db2.gz ZCVUVBFETLWBOR-NXEZZACHSA-N -1 3 323.817 2.555 20 0 DFADHM CC[C@H](OCC[N-]S(=O)(=O)c1ccco1)c1ccccc1 ZINC000651803600 430881744 /nfs/dbraw/zinc/88/17/44/430881744.db2.gz BATXSHUOYWSQHX-AWEZNQCLSA-N -1 3 309.387 2.726 20 0 DFADHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2)O1 ZINC000651653463 430842273 /nfs/dbraw/zinc/84/22/73/430842273.db2.gz KTBFMMSEHSXGFO-SECBINFHSA-N -1 3 321.801 2.715 20 0 DFADHM CC(=O)c1ccc(C(=O)NCc2cc(C(C)C)no2)cc1[O-] ZINC000665300909 430892027 /nfs/dbraw/zinc/89/20/27/430892027.db2.gz RNDRDKUKNAROPD-UHFFFAOYSA-N -1 3 302.330 2.636 20 0 DFADHM COc1ccc(NC(=O)c2cnc3n2[C@H](C)CCC3)c([O-])c1 ZINC000651854494 430896764 /nfs/dbraw/zinc/89/67/64/430896764.db2.gz HZLHWSXDXSIJRZ-SNVBAGLBSA-N -1 3 301.346 2.747 20 0 DFADHM O=C([O-])CCC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000665341791 430900655 /nfs/dbraw/zinc/90/06/55/430900655.db2.gz FTNHQMVLMYXFOQ-UHFFFAOYSA-N -1 3 319.401 2.925 20 0 DFADHM Cn1c(CNC[C@H](C(=O)[O-])C2CCC2)nc2cc(Cl)ccc21 ZINC000665361538 430910242 /nfs/dbraw/zinc/91/02/42/430910242.db2.gz QZUPJJXBMLLXPF-LBPRGKRZSA-N -1 3 321.808 2.817 20 0 DFADHM O=C([O-])[C@H](CNCc1cn2cc(Cl)ccc2n1)C1CCC1 ZINC000665360731 430910283 /nfs/dbraw/zinc/91/02/83/430910283.db2.gz AUCCCKNGYTVLBL-CYBMUJFWSA-N -1 3 307.781 2.578 20 0 DFADHM CCn1c(CNC[C@H](C(=O)[O-])C2CCC2)nc2ccccc21 ZINC000665361238 430910443 /nfs/dbraw/zinc/91/04/43/430910443.db2.gz LYUGGQRMFDNDTE-ZDUSSCGKSA-N -1 3 301.390 2.647 20 0 DFADHM CCn1nc(CNC[C@H](C(=O)[O-])C2CCC2)c2ccccc21 ZINC000665360509 430910862 /nfs/dbraw/zinc/91/08/62/430910862.db2.gz YPBFJPHTTCSGJH-AWEZNQCLSA-N -1 3 301.390 2.647 20 0 DFADHM Cn1c(CNC[C@H](C(=O)[O-])C2CCC2)nc2ccc(Cl)cc21 ZINC000665361594 430910943 /nfs/dbraw/zinc/91/09/43/430910943.db2.gz SFRAQHBNECKVJR-LBPRGKRZSA-N -1 3 321.808 2.817 20 0 DFADHM CCN1C[C@H](C)N(C(=O)Cc2ccc([O-])cc2Cl)[C@@H](C)C1 ZINC000655143429 430911317 /nfs/dbraw/zinc/91/13/17/430911317.db2.gz NGNREQZBPDIYAQ-RYUDHWBXSA-N -1 3 310.825 2.529 20 0 DFADHM C[C@H]1CCN(C(=O)c2cn(C3CCC3)nn2)c2c([O-])cccc21 ZINC000648863535 430918124 /nfs/dbraw/zinc/91/81/24/430918124.db2.gz JESVDRHXZIASDX-NSHDSACASA-N -1 3 312.373 2.863 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CCc2ccccc21 ZINC000655165812 430918361 /nfs/dbraw/zinc/91/83/61/430918361.db2.gz WZJORSOISKLYPB-GFCCVEGCSA-N -1 3 323.396 2.862 20 0 DFADHM CN1CCC[C@H](CN=c2nc(-c3cc(F)cc(F)c3)[n-]s2)C1 ZINC000645165105 430921362 /nfs/dbraw/zinc/92/13/62/430921362.db2.gz FDDJOWZDBDDKMB-SNVBAGLBSA-N -1 3 324.400 2.659 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](N(C)c3ccccc3)C2)n1 ZINC000662017476 430922482 /nfs/dbraw/zinc/92/24/82/430922482.db2.gz PUUVTFSJMNPBCH-ZBFHGGJFSA-N -1 3 312.417 2.762 20 0 DFADHM CC(=O)N1C[C@@H]2CCC[C@H](NCc3cccc([O-])c3Cl)[C@H]2C1 ZINC000645181855 430927885 /nfs/dbraw/zinc/92/78/85/430927885.db2.gz WMWRYJOBBMBCJN-KKUMJFAQSA-N -1 3 322.836 2.782 20 0 DFADHM Cn1c(=O)ccc2c1CCC[C@H]2NCc1cccc([O-])c1Cl ZINC000652049259 430946713 /nfs/dbraw/zinc/94/67/13/430946713.db2.gz CTFCWEQBVRRMLZ-CYBMUJFWSA-N -1 3 318.804 2.912 20 0 DFADHM O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([O-])c(Cl)c1 ZINC000655350146 430971052 /nfs/dbraw/zinc/97/10/52/430971052.db2.gz XELWPGVXLVHHNS-KGLIPLIRSA-N -1 3 308.809 2.792 20 0 DFADHM CCCC[C@@](C)(CO)NC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000649037110 430982993 /nfs/dbraw/zinc/98/29/93/430982993.db2.gz XGOPIPGAIOFSFN-KRWDZBQOSA-N -1 3 319.405 2.633 20 0 DFADHM CCCC[C@@](C)(CO)NC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000649037110 430982995 /nfs/dbraw/zinc/98/29/95/430982995.db2.gz XGOPIPGAIOFSFN-KRWDZBQOSA-N -1 3 319.405 2.633 20 0 DFADHM CCCCC[C@@H]1CCCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000662156599 430984678 /nfs/dbraw/zinc/98/46/78/430984678.db2.gz RLIJHWNSLXYYFP-OAHLLOKOSA-N -1 3 302.422 2.957 20 0 DFADHM CCOc1ccc([C@@H](C)NC(=O)Cc2cncc([O-])c2)cc1 ZINC000655387396 430987038 /nfs/dbraw/zinc/98/70/38/430987038.db2.gz FHYWBFYWLJPSCE-GFCCVEGCSA-N -1 3 300.358 2.606 20 0 DFADHM CCOc1ccccc1[C@@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000655387968 430989173 /nfs/dbraw/zinc/98/91/73/430989173.db2.gz UANYMXGELRRNKY-GFCCVEGCSA-N -1 3 300.358 2.606 20 0 DFADHM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)Cc1cncc([O-])c1 ZINC000655406067 430993693 /nfs/dbraw/zinc/99/36/93/430993693.db2.gz WYVINYMUBLPRBJ-LBPRGKRZSA-N -1 3 302.349 2.558 20 0 DFADHM CC1(C)[C@@H](CNC(=O)Cc2cncc([O-])c2)[C@@H]1c1ccccc1 ZINC000655405971 430993781 /nfs/dbraw/zinc/99/37/81/430993781.db2.gz CMYUYYHPBYALHH-WMZOPIPTSA-N -1 3 310.397 2.886 20 0 DFADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000665666273 430996709 /nfs/dbraw/zinc/99/67/09/430996709.db2.gz JXDZWPCXQXOJDA-BPUTZDHNSA-N -1 3 311.381 2.778 20 0 DFADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)CCC(C)C ZINC000645429928 430999292 /nfs/dbraw/zinc/99/92/92/430999292.db2.gz YNVGQLSGMFFASY-NSHDSACASA-N -1 3 303.399 2.937 20 0 DFADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cnc(-c2ccccc2)nc1 ZINC000662211616 430999410 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O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](OC2CCC2)C1 ZINC000654453744 431799057 /nfs/dbraw/zinc/79/90/57/431799057.db2.gz FWOITIUMRULMJM-CQSZACIVSA-N -1 3 322.380 2.774 20 0 DFADHM CC1(C)CN(C(=O)c2cc([O-])ccc2C(F)(F)F)CCO1 ZINC000189082329 281219678 /nfs/dbraw/zinc/21/96/78/281219678.db2.gz APRASXMOGNZKLG-UHFFFAOYSA-N -1 3 303.280 2.662 20 0 DFADHM CC1(C)CN(C(=O)c2ccccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000292309974 281223892 /nfs/dbraw/zinc/22/38/92/281223892.db2.gz IMGZUDCSXTWLPX-NSHDSACASA-N -1 3 303.280 2.574 20 0 DFADHM CCc1cc(C(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1[O-] ZINC000292526029 281376385 /nfs/dbraw/zinc/37/63/85/281376385.db2.gz BYOXGMNGNXLDPL-HZPDHXFCSA-N -1 3 303.402 2.984 20 0 DFADHM CCc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc(=O)[nH]1 ZINC000186274548 281379210 /nfs/dbraw/zinc/37/92/10/281379210.db2.gz IMBVHQVFYJPJIL-NSHDSACASA-N -1 3 312.369 2.797 20 0 DFADHM CN(C)C1(CNC(=O)c2ccc(Cl)c(Cl)c2[O-])CCC1 ZINC000332442906 289058250 /nfs/dbraw/zinc/05/82/50/289058250.db2.gz CVAFMKWBRDPHGC-UHFFFAOYSA-N -1 3 317.216 2.913 20 0 DFADHM COc1cccc(C(=O)NCc2ccc(C)cc2OC)c1[O-] ZINC000153759859 289058801 /nfs/dbraw/zinc/05/88/01/289058801.db2.gz IWRGYXABNMWTNT-UHFFFAOYSA-N -1 3 301.342 2.648 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(C(F)F)CC1 ZINC000362091256 289072374 /nfs/dbraw/zinc/07/23/74/289072374.db2.gz SQUNIJZHCUYBHY-UHFFFAOYSA-N -1 3 306.312 2.645 20 0 DFADHM CC(C)[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1cccnc1 ZINC000436181831 296991191 /nfs/dbraw/zinc/99/11/91/296991191.db2.gz OPRYEPAASHUGHZ-INIZCTEOSA-N -1 3 302.349 2.982 20 0 DFADHM O=c1cc(C(F)(F)F)nc(SCCCN2CCCC2)[n-]1 ZINC000436202604 296992290 /nfs/dbraw/zinc/99/22/90/296992290.db2.gz FTOZQLTZRWHAHL-UHFFFAOYSA-N -1 3 307.341 2.779 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc(OCCN(C)C)c2)c([O-])c1 ZINC000436509097 297007737 /nfs/dbraw/zinc/00/77/37/297007737.db2.gz FTRYLFDOIHSWFO-UHFFFAOYSA-N -1 3 314.385 2.893 20 0 DFADHM O=C(N[C@H]1CCOC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436513107 297008186 /nfs/dbraw/zinc/00/81/86/297008186.db2.gz LSCOZZASIVDODI-INIZCTEOSA-N -1 3 311.381 2.696 20 0 DFADHM CCN1CCC[C@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000436529424 297009254 /nfs/dbraw/zinc/00/92/54/297009254.db2.gz ODRAAUSSEROWPL-VIFPVBQESA-N -1 3 317.216 2.913 20 0 DFADHM C[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCCC[C@H]1C ZINC000436529236 297009403 /nfs/dbraw/zinc/00/94/03/297009403.db2.gz KJWKQTZGTUSTKF-MNOVXSKESA-N -1 3 312.360 2.663 20 0 DFADHM CCN(CC)[C@@H](CNC(=O)c1cc(F)ccc1[O-])c1ccco1 ZINC000436537848 297010048 /nfs/dbraw/zinc/01/00/48/297010048.db2.gz GIIZALRQCOAMMY-AWEZNQCLSA-N -1 3 320.364 2.937 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCC3CCSCC3)c([O-])c2O1 ZINC000436546467 297011148 /nfs/dbraw/zinc/01/11/48/297011148.db2.gz FTIMNEXYWAZEOW-UHFFFAOYSA-N -1 3 321.442 2.979 20 0 DFADHM CN(Cc1cc[nH]n1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436545458 297011221 /nfs/dbraw/zinc/01/12/21/297011221.db2.gz BSRCEQLAMIPKQO-UHFFFAOYSA-N -1 3 321.380 2.978 20 0 DFADHM CCOC(=O)C(C)(C)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436555898 297012089 /nfs/dbraw/zinc/01/20/89/297012089.db2.gz QDEOPZDLLLVUBJ-UHFFFAOYSA-N -1 3 319.401 2.685 20 0 DFADHM Cc1ccc(C(=O)NCCOc2ccc(F)c(F)c2)c([O-])c1 ZINC000436552290 297012123 /nfs/dbraw/zinc/01/21/23/297012123.db2.gz BPOYGRVMIQUQBO-UHFFFAOYSA-N -1 3 307.296 2.788 20 0 DFADHM COc1ccc(C2(NC(=O)c3cc(OC)ccc3[O-])CC2)cc1 ZINC000436558105 297012275 /nfs/dbraw/zinc/01/22/75/297012275.db2.gz ZZNPVSAUPDESBD-UHFFFAOYSA-N -1 3 313.353 2.829 20 0 DFADHM O=C(NC[C@H]1CCCC[C@@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000436561166 297012764 /nfs/dbraw/zinc/01/27/64/297012764.db2.gz DUSOSBPLMBEGAV-ZBFHGGJFSA-N -1 3 303.402 2.552 20 0 DFADHM Cc1nc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])n[nH]1 ZINC000436562597 297012774 /nfs/dbraw/zinc/01/27/74/297012774.db2.gz BCMXABZRLOYTOI-UHFFFAOYSA-N -1 3 322.368 2.856 20 0 DFADHM O=C(Nc1nnc2ccccn21)c1cc2c(cc1[O-])CCCC2 ZINC000436564535 297012877 /nfs/dbraw/zinc/01/28/77/297012877.db2.gz PHSNAGFAWZEZPF-UHFFFAOYSA-N -1 3 308.341 2.566 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)c2ccc(OC)cc2[O-])C12CCCC2 ZINC000436570738 297013762 /nfs/dbraw/zinc/01/37/62/297013762.db2.gz ARTHYCASSALDOC-HOTGVXAUSA-N -1 3 319.401 2.868 20 0 DFADHM COc1ccc(C(=O)N2CCc3c(F)ccc(F)c3C2)c([O-])c1 ZINC000436581639 297014804 /nfs/dbraw/zinc/01/48/04/297014804.db2.gz BDEMULXLQVBVJP-UHFFFAOYSA-N -1 3 319.307 2.878 20 0 DFADHM Cc1cccc(C(=O)N2CCOC[C@H]2Cc2ccccc2)c1[O-] ZINC000436579350 297014956 /nfs/dbraw/zinc/01/49/56/297014956.db2.gz ULBHUZLNGQXGAG-MRXNPFEDSA-N -1 3 311.381 2.784 20 0 DFADHM CC(C)c1ccc(C(=O)NC[C@@](C)(O)C(F)(F)F)c([O-])c1 ZINC000436582572 297015032 /nfs/dbraw/zinc/01/50/32/297015032.db2.gz LZUZUCMDUJOKRW-CYBMUJFWSA-N -1 3 305.296 2.559 20 0 DFADHM CCOC(=O)CN(C(=O)c1cc(CC)ccc1[O-])C1CCCC1 ZINC000436587190 297015437 /nfs/dbraw/zinc/01/54/37/297015437.db2.gz WGYWCZRWPONXIO-UHFFFAOYSA-N -1 3 319.401 2.903 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([O-])c1C ZINC000436586220 297015452 /nfs/dbraw/zinc/01/54/52/297015452.db2.gz AVKZJAIOCYHUKG-FVQBIDKESA-N -1 3 303.402 2.942 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@H]2COCC[C@H]21 ZINC000436585538 297015491 /nfs/dbraw/zinc/01/54/91/297015491.db2.gz JXKOJNHYOOJZGU-DOTOQJQBSA-N -1 3 315.413 2.912 20 0 DFADHM Cc1cccc(-c2nc(CCn3nnc4ccccc43)no2)c1[O-] ZINC000436586867 297015496 /nfs/dbraw/zinc/01/54/96/297015496.db2.gz WPZFBZOMMLNKJA-UHFFFAOYSA-N -1 3 321.340 2.738 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)c([O-])c1 ZINC000436592545 297016050 /nfs/dbraw/zinc/01/60/50/297016050.db2.gz WJXBXPLWXRRGJN-BBRMVZONSA-N -1 3 324.380 2.624 20 0 DFADHM O=C(NCC[C@H]1CCCCO1)c1cc2c(cc1[O-])CCCC2 ZINC000436594774 297016409 /nfs/dbraw/zinc/01/64/09/297016409.db2.gz IXCBYYZXENKPBI-OAHLLOKOSA-N -1 3 303.402 2.960 20 0 DFADHM CC[C@@H](O)CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436598979 297016634 /nfs/dbraw/zinc/01/66/34/297016634.db2.gz WBGGKOSYIVCARG-MRXNPFEDSA-N -1 3 313.397 2.874 20 0 DFADHM O=C(N[C@H]1CCCC[C@@H]1CO)c1cc2c(cc1[O-])CCCC2 ZINC000436595681 297016929 /nfs/dbraw/zinc/01/69/29/297016929.db2.gz JFCZRIYOSXFOIT-ZBFHGGJFSA-N -1 3 303.402 2.552 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)c([O-])c1C ZINC000436599248 297017398 /nfs/dbraw/zinc/01/73/98/297017398.db2.gz ABRVSMHNJYPDEV-CQSZACIVSA-N -1 3 311.381 2.939 20 0 DFADHM CNC(=O)Nc1cc(NC(=O)c2cccc(C)c2[O-])ccc1F ZINC000436604449 297017532 /nfs/dbraw/zinc/01/75/32/297017532.db2.gz JGIBQADEAFIVED-UHFFFAOYSA-N -1 3 317.320 2.843 20 0 DFADHM O=C(N[C@@H](CO)C1CCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436604582 297017692 /nfs/dbraw/zinc/01/76/92/297017692.db2.gz DCTWNWGDKZJDAB-INIZCTEOSA-N -1 3 303.402 2.552 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c([O-])c1 ZINC000436606452 297017716 /nfs/dbraw/zinc/01/77/16/297017716.db2.gz RBRKLNSZHGCWFB-BPQIPLTHSA-N -1 3 309.365 2.859 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c([O-])c1 ZINC000436604200 297017780 /nfs/dbraw/zinc/01/77/80/297017780.db2.gz NFYMAKOFNOBQPN-CYBMUJFWSA-N -1 3 310.353 2.556 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCOC[C@@H]1C1CC1 ZINC000436609230 297018044 /nfs/dbraw/zinc/01/80/44/297018044.db2.gz VRSQVGRNCBVSNG-MRXNPFEDSA-N -1 3 301.386 2.522 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1[O-] ZINC000436612913 297018215 /nfs/dbraw/zinc/01/82/15/297018215.db2.gz ZWUDFFOYWISROJ-UHFFFAOYSA-N -1 3 319.386 2.996 20 0 DFADHM CCCCO[C@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])C1(C)C ZINC000436624108 297019098 /nfs/dbraw/zinc/01/90/98/297019098.db2.gz IQDSYJXNJCZJAR-GJZGRUSLSA-N -1 3 307.390 2.811 20 0 DFADHM Cc1ccc(C2=CCN(C(=O)c3ccc(O)cc3[O-])CC2)cn1 ZINC000436631752 297019537 /nfs/dbraw/zinc/01/95/37/297019537.db2.gz ULYLMTNVGXOCQT-UHFFFAOYSA-N -1 3 310.353 2.731 20 0 DFADHM CC(=O)c1ccc(C(=O)N(C)Cc2scnc2C)cc1[O-] ZINC000436634395 297019557 /nfs/dbraw/zinc/01/95/57/297019557.db2.gz KNZLBIORQXYKEI-UHFFFAOYSA-N -1 3 304.371 2.632 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCN(C)c3ccccc3C2)cc1[O-] ZINC000436633379 297019666 /nfs/dbraw/zinc/01/96/66/297019666.db2.gz ZBOHEGNKRIIORD-UHFFFAOYSA-N -1 3 324.380 2.687 20 0 DFADHM C[C@H]1CSC[C@@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436631793 297019726 /nfs/dbraw/zinc/01/97/26/297019726.db2.gz WXPUUROYNSJZSZ-CABZTGNLSA-N -1 3 307.415 2.587 20 0 DFADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc([S@@](C)=O)cc1 ZINC000436645668 297020356 /nfs/dbraw/zinc/02/03/56/297020356.db2.gz CIGPLYHUCHOPEE-WSVYEEACSA-N -1 3 303.383 2.621 20 0 DFADHM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1c([O-])cccc1O ZINC000436647878 297020865 /nfs/dbraw/zinc/02/08/65/297020865.db2.gz NKJYYGCGINGPCZ-UHFFFAOYSA-N -1 3 313.288 2.675 20 0 DFADHM Cn1cc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])nn1 ZINC000436647313 297020885 /nfs/dbraw/zinc/02/08/85/297020885.db2.gz JISIYSUNTMSMAH-UHFFFAOYSA-N -1 3 322.368 2.558 20 0 DFADHM CCN(CC)c1ccc(NC(=O)c2c([O-])cccc2O)cn1 ZINC000436647126 297020976 /nfs/dbraw/zinc/02/09/76/297020976.db2.gz KLBYXTLSTZZYCC-UHFFFAOYSA-N -1 3 301.346 2.591 20 0 DFADHM CCOc1ccccc1[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436647138 297021153 /nfs/dbraw/zinc/02/11/53/297021153.db2.gz KMAWAUUNAIQSDR-NSHDSACASA-N -1 3 301.342 2.988 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000436647052 297021156 /nfs/dbraw/zinc/02/11/56/297021156.db2.gz IZHIAXJSBZYEBN-YTEVENLXSA-N -1 3 317.410 2.929 20 0 DFADHM CC(=O)Nc1ccc(NC(=O)c2c([O-])cccc2O)cc1Cl ZINC000436649134 297021604 /nfs/dbraw/zinc/02/16/04/297021604.db2.gz SUEXJRLOLIPXOX-UHFFFAOYSA-N -1 3 320.732 2.962 20 0 DFADHM Cc1ccc(C(=O)NCCN2CCc3sccc3C2)c([O-])c1 ZINC000436669296 297023544 /nfs/dbraw/zinc/02/35/44/297023544.db2.gz JKWMAEIZJUIYET-UHFFFAOYSA-N -1 3 316.426 2.550 20 0 DFADHM COCC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])C(C)(C)C ZINC000436672337 297023750 /nfs/dbraw/zinc/02/37/50/297023750.db2.gz BVKHSQOAAQSZOH-HNNXBMFYSA-N -1 3 322.405 2.532 20 0 DFADHM C[C@H](CNC(=O)c1c([O-])cccc1O)Oc1ccc(Cl)cc1 ZINC000436671909 297023767 /nfs/dbraw/zinc/02/37/67/297023767.db2.gz WTWGWSIMCCIZHL-SNVBAGLBSA-N -1 3 321.760 2.949 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])C1(CC)CC ZINC000436677430 297023952 /nfs/dbraw/zinc/02/39/52/297023952.db2.gz CRIQFAVUESDSQV-LSDHHAIUSA-N -1 3 307.390 2.811 20 0 DFADHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436684144 297024448 /nfs/dbraw/zinc/02/44/48/297024448.db2.gz YAJAAJKPJDSWEJ-NEPJUHHUSA-N -1 3 310.825 2.896 20 0 DFADHM COc1cccc(C(=O)N[C@H](C)COc2cccc(F)c2)c1[O-] ZINC000436687587 297025128 /nfs/dbraw/zinc/02/51/28/297025128.db2.gz JAAJNHHLVGGFQP-LLVKDONJSA-N -1 3 319.332 2.737 20 0 DFADHM Cc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)c(CN(C)C)c1 ZINC000436697425 297025557 /nfs/dbraw/zinc/02/55/57/297025557.db2.gz MVUBAOFVCABKRR-UHFFFAOYSA-N -1 3 312.369 2.584 20 0 DFADHM Cc1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)c([O-])c1 ZINC000436746126 297031044 /nfs/dbraw/zinc/03/10/44/297031044.db2.gz FSOXSWOLOOMASN-UHFFFAOYSA-N -1 3 313.353 2.792 20 0 DFADHM COc1cccc(-c2nc(C(=O)Nc3ccccc3[O-])no2)c1 ZINC000436752070 297031731 /nfs/dbraw/zinc/03/17/31/297031731.db2.gz WXPAWXHCZDSQAO-UHFFFAOYSA-N -1 3 311.297 2.703 20 0 DFADHM CC[C@]1(C)COCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436710024 297027423 /nfs/dbraw/zinc/02/74/23/297027423.db2.gz QMHKJXFNBDPSKU-GOSISDBHSA-N -1 3 303.402 2.912 20 0 DFADHM COc1cccc(C(=O)N[C@H](C)c2c(F)cncc2F)c1[O-] ZINC000436714553 297027893 /nfs/dbraw/zinc/02/78/93/297027893.db2.gz MPRPRPSKZFWCSH-MRVPVSSYSA-N -1 3 308.284 2.565 20 0 DFADHM Cc1ccc(C(=O)N2CCN3CCOc4cccc2c43)c([O-])c1C ZINC000436720960 297028336 /nfs/dbraw/zinc/02/83/36/297028336.db2.gz KONMZCNKIZNHHB-UHFFFAOYSA-N -1 3 324.380 2.868 20 0 DFADHM C[C@@H]1CCC[C@H](CN2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436721963 297028338 /nfs/dbraw/zinc/02/83/38/297028338.db2.gz ZKKQCPDISAVAMR-CVEARBPZSA-N -1 3 316.445 2.976 20 0 DFADHM CCCN1CCC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436729353 297028904 /nfs/dbraw/zinc/02/89/04/297028904.db2.gz ATACXRQQMACWNF-NSHDSACASA-N -1 3 314.788 2.789 20 0 DFADHM Cc1cccc(OCCCNC(=O)c2ccc(O)cc2[O-])c1C ZINC000436732920 297029362 /nfs/dbraw/zinc/02/93/62/297029362.db2.gz SVYIIWKWRCXXAS-UHFFFAOYSA-N -1 3 315.369 2.914 20 0 DFADHM Cc1cccc(C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)c1[O-] ZINC000436729968 297029460 /nfs/dbraw/zinc/02/94/60/297029460.db2.gz JGSNEQYSPBNYRA-QGZVFWFLSA-N -1 3 324.424 2.700 20 0 DFADHM C[C@@H]1CSCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436736523 297030072 /nfs/dbraw/zinc/03/00/72/297030072.db2.gz IVSZXFIWTVDEGM-NSHDSACASA-N -1 3 321.442 2.931 20 0 DFADHM Cc1cccc(C(=O)NCCc2nnc(C(C)C)s2)c1[O-] ZINC000436770741 297033485 /nfs/dbraw/zinc/03/34/85/297033485.db2.gz QDQVYYJYRKHYHD-UHFFFAOYSA-N -1 3 305.403 2.648 20 0 DFADHM Cn1cc(-c2noc(-c3ccccc3[O-])n2)c(C(F)(F)F)n1 ZINC000436776107 297033545 /nfs/dbraw/zinc/03/35/45/297033545.db2.gz TUXRLSNZOPWGPM-UHFFFAOYSA-N -1 3 310.235 2.862 20 0 DFADHM CCOC1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436788673 297034282 /nfs/dbraw/zinc/03/42/82/297034282.db2.gz BMPFMKCTDRXKIZ-UHFFFAOYSA-N -1 3 311.381 2.844 20 0 DFADHM COc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000436824807 297037603 /nfs/dbraw/zinc/03/76/03/297037603.db2.gz DFSYATCLHHVRFQ-WPRPVWTQSA-N -1 3 303.280 2.814 20 0 DFADHM CCc1ccc(C(=O)NCC(=O)c2ccccc2OC)c([O-])c1 ZINC000436834559 297038667 /nfs/dbraw/zinc/03/86/67/297038667.db2.gz ZZJCVLFKWNGTTI-UHFFFAOYSA-N -1 3 313.353 2.576 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)CC(C)(C)C2)c1 ZINC000436837081 297038920 /nfs/dbraw/zinc/03/89/20/297038920.db2.gz NMOCBKVCLLYLPS-NSHDSACASA-N -1 3 304.390 2.859 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2CSc3ccccc32)c1[O-] ZINC000436853769 297040284 /nfs/dbraw/zinc/04/02/84/297040284.db2.gz SJUOBXXUJKASEG-GFCCVEGCSA-N -1 3 301.367 2.978 20 0 DFADHM Cc1ccc(-c2nc(CC(=O)NCc3ccccc3)no2)c([O-])c1 ZINC000436888191 297042280 /nfs/dbraw/zinc/04/22/80/297042280.db2.gz QTAYMCXXBAAFEQ-UHFFFAOYSA-N -1 3 323.352 2.610 20 0 DFADHM COc1ccnc(CNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436891895 297042351 /nfs/dbraw/zinc/04/23/51/297042351.db2.gz HWSOYSPAFLOYOH-UHFFFAOYSA-N -1 3 300.358 2.849 20 0 DFADHM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3nnc[nH]3)cc2)c1 ZINC000436892416 297042374 /nfs/dbraw/zinc/04/23/74/297042374.db2.gz LPCKLTOBPFWTPM-UHFFFAOYSA-N -1 3 322.324 2.632 20 0 DFADHM Cc1ccc([O-])c(-c2nc(Cc3cn4ccccc4n3)no2)c1 ZINC000436890328 297042543 /nfs/dbraw/zinc/04/25/43/297042543.db2.gz YXBAQTBHFFTNOF-UHFFFAOYSA-N -1 3 306.325 2.989 20 0 DFADHM Cc1ccc([O-])c(-c2nc(-c3ccc4c(c3)CC(=O)N4)no2)c1 ZINC000436899251 297042984 /nfs/dbraw/zinc/04/29/84/297042984.db2.gz COSGSMFAPQAWRM-UHFFFAOYSA-N -1 3 307.309 2.912 20 0 DFADHM CCc1ccc(C(=O)N[C@H](C)COCC(F)(F)F)c([O-])c1 ZINC000436825551 297037556 /nfs/dbraw/zinc/03/75/56/297037556.db2.gz DDIOASNSXSUYCO-SECBINFHSA-N -1 3 305.296 2.652 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCO[C@H](C2CCCCC2)C1 ZINC000436907679 297043986 /nfs/dbraw/zinc/04/39/86/297043986.db2.gz GPHDHXAAJFQFJA-HNNXBMFYSA-N -1 3 305.374 2.519 20 0 DFADHM COc1ccc(OCCNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436921657 297044861 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Cc1ccc(-c2nc(-c3cnc(N(C)C)cn3)no2)c([O-])c1C ZINC000436947396 297047128 /nfs/dbraw/zinc/04/71/28/297047128.db2.gz DOVRFFJOQAPARI-UHFFFAOYSA-N -1 3 311.345 2.582 20 0 DFADHM CN(C(=O)c1ccccc1[O-])[C@H](c1ncc[nH]1)c1ccccc1 ZINC000436955690 297047851 /nfs/dbraw/zinc/04/78/51/297047851.db2.gz IEULGEMSXXOKON-INIZCTEOSA-N -1 3 307.353 2.977 20 0 DFADHM CCCCOc1ccc(C(=O)NCCC(=O)OC(C)C)c([O-])c1 ZINC000436974528 297048753 /nfs/dbraw/zinc/04/87/53/297048753.db2.gz ZGVFARHUOAZOEV-UHFFFAOYSA-N -1 3 323.389 2.643 20 0 DFADHM C[C@H]1N(C(=O)c2ccc3c(c2[O-])CCCC3)CCOC1(C)C ZINC000436979349 297049490 /nfs/dbraw/zinc/04/94/90/297049490.db2.gz YKJCLWVFPZPFMS-GFCCVEGCSA-N -1 3 303.402 2.911 20 0 DFADHM CCCCOc1ccc(C(=O)N(CC)CCC(=O)OC)c([O-])c1 ZINC000436982687 297049807 /nfs/dbraw/zinc/04/98/07/297049807.db2.gz YHLZYYUXRYYXEJ-UHFFFAOYSA-N -1 3 323.389 2.596 20 0 DFADHM Cc1ccnc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])n1 ZINC000436983671 297049932 /nfs/dbraw/zinc/04/99/32/297049932.db2.gz KSGPQBKUMDECGP-UHFFFAOYSA-N -1 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CCc1cc(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)ccc1[O-] ZINC000362880417 536098114 /nfs/dbraw/zinc/09/81/14/536098114.db2.gz ZOVJDLWZPCUEJL-NSHDSACASA-N -1 3 307.390 2.757 20 0 DFADHM COc1cc(C(=O)NCc2ccccc2-n2ccnc2)ccc1[O-] ZINC000362393776 536495634 /nfs/dbraw/zinc/49/56/34/536495634.db2.gz ZETLAPODIWLING-UHFFFAOYSA-N -1 3 323.352 2.517 20 0 DFADHM COCc1cc(C(=O)[N-]c2nc(-c3ccco3)cs2)no1 ZINC000173250706 536703832 /nfs/dbraw/zinc/70/38/32/536703832.db2.gz GCWUNEHGJSPMSL-UHFFFAOYSA-N -1 3 305.315 2.790 20 0 DFADHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358428312 537025685 /nfs/dbraw/zinc/02/56/85/537025685.db2.gz ORYOMZGBRFDYGC-UHFFFAOYSA-N -1 3 323.414 2.896 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c1[O-] ZINC000174052476 537086194 /nfs/dbraw/zinc/08/61/94/537086194.db2.gz YEXYCOJZMNJXLW-KGLIPLIRSA-N -1 3 315.373 2.511 20 0 DFADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c1 ZINC000680950685 545569421 /nfs/dbraw/zinc/56/94/21/545569421.db2.gz DJXHRAYFNNEMIV-UHFFFAOYSA-N -1 3 314.769 2.714 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cnc3[nH]cnc3c2)c2c([O-])cccc21 ZINC000681088826 545594899 /nfs/dbraw/zinc/59/48/99/545594899.db2.gz PNNUQUZDAPZYFA-SNVBAGLBSA-N -1 3 308.341 2.818 20 0 DFADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000681254563 545618940 /nfs/dbraw/zinc/61/89/40/545618940.db2.gz YCIDMSGLRURKHE-JTQLQIEISA-N -1 3 312.366 2.778 20 0 DFADHM Cc1nc(CNC(=O)c2c[n-]c3c(C)cccc3c2=O)cs1 ZINC000681511492 545657533 /nfs/dbraw/zinc/65/75/33/545657533.db2.gz BIRIYVFOLREVSZ-UHFFFAOYSA-N -1 3 313.382 2.531 20 0 DFADHM Cc1nc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)co1 ZINC000681553867 545672530 /nfs/dbraw/zinc/67/25/30/545672530.db2.gz IODPUURMXSVPJK-UHFFFAOYSA-N -1 3 317.736 2.529 20 0 DFADHM C[C@@H](CNC(=O)Cc1ccc(Br)cc1[O-])C1CC1 ZINC000682030353 545779049 /nfs/dbraw/zinc/77/90/49/545779049.db2.gz ZIQCODWIEJKBFR-VIFPVBQESA-N -1 3 312.207 2.860 20 0 DFADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000682159517 545808205 /nfs/dbraw/zinc/80/82/05/545808205.db2.gz XNDIEZMKAKZHSL-UHFFFAOYSA-N -1 3 311.794 2.592 20 0 DFADHM COc1ccc(NC(=O)[C@H]2CCN(C)c3ccccc32)c([O-])c1 ZINC000682364421 545831203 /nfs/dbraw/zinc/83/12/03/545831203.db2.gz YBCMEBIHZYFWEL-AWEZNQCLSA-N -1 3 312.369 2.963 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C1CCC1 ZINC000682372429 545831847 /nfs/dbraw/zinc/83/18/47/545831847.db2.gz WVUOQSZODLGPSX-QMMMGPOBSA-N -1 3 308.325 2.567 20 0 DFADHM O=C([N-]c1cc(Br)c(F)cc1F)c1cocn1 ZINC000682438517 545848183 /nfs/dbraw/zinc/84/81/83/545848183.db2.gz HMBLIQNAIBSMMW-UHFFFAOYSA-N -1 3 303.062 2.968 20 0 DFADHM CC(C)c1nn(C)c(N(C)C)c1C[N-]c1nnc(C(F)F)o1 ZINC000682527615 545867561 /nfs/dbraw/zinc/86/75/61/545867561.db2.gz QWGKVAADEGXPNG-UHFFFAOYSA-N -1 3 314.340 2.542 20 0 DFADHM Cc1ccc(CN(C)C(=O)NCc2ccc([O-])c(F)c2)nc1 ZINC000682711183 545903410 /nfs/dbraw/zinc/90/34/10/545903410.db2.gz ZIBPGKWZTVVIMS-UHFFFAOYSA-N -1 3 303.337 2.576 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C(C(C)C)C(C)C)c(F)c1 ZINC000682932743 545943568 /nfs/dbraw/zinc/94/35/68/545943568.db2.gz PUFJZQWKPNXJES-UHFFFAOYSA-N -1 3 303.399 2.793 20 0 DFADHM Cc1nc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)sc1C ZINC000683754008 546088195 /nfs/dbraw/zinc/08/81/95/546088195.db2.gz XYXYZLNNXYCINT-UHFFFAOYSA-N -1 3 307.766 2.708 20 0 DFADHM O=C([N-]c1cc(F)cc(Br)c1F)c1cocn1 ZINC000683799018 546097739 /nfs/dbraw/zinc/09/77/39/546097739.db2.gz ZRHYHIOQCNXMGZ-UHFFFAOYSA-N -1 3 303.062 2.968 20 0 DFADHM CCc1cccc(C(=O)Nc2cn(Cc3ccccc3)nn2)c1[O-] ZINC000684061848 546145142 /nfs/dbraw/zinc/14/51/42/546145142.db2.gz BJZSQUHIPDEUPB-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)c1csc(=O)[n-]1 ZINC000684292303 546189481 /nfs/dbraw/zinc/18/94/81/546189481.db2.gz OKKBVPNKZWKJKC-NSHDSACASA-N -1 3 305.403 2.786 20 0 DFADHM O=C(NCc1ncccc1[O-])c1cc2cc(Cl)ccc2[nH]1 ZINC000684350070 546197350 /nfs/dbraw/zinc/19/73/50/546197350.db2.gz KBRPETCQNSRMQG-UHFFFAOYSA-N -1 3 301.733 2.852 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC2(CC(F)C2)C1 ZINC000684467813 546225675 /nfs/dbraw/zinc/22/56/75/546225675.db2.gz SRXHZCIAUZVZGV-UHFFFAOYSA-N -1 3 303.255 2.985 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21)C(F)F ZINC000684597297 546249691 /nfs/dbraw/zinc/24/96/91/546249691.db2.gz GQTWTDZJUVAIIV-UHFFFAOYSA-N -1 3 323.752 2.538 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1ccc2ncsc2c1)C(F)F ZINC000684598364 546250256 /nfs/dbraw/zinc/25/02/56/546250256.db2.gz WHIVBGRMJKCBJD-UHFFFAOYSA-N -1 3 306.359 2.618 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2cncn2C)c1 ZINC000685306144 546340593 /nfs/dbraw/zinc/34/05/93/546340593.db2.gz DKSVIPRELUUTFG-AWEZNQCLSA-N -1 3 315.373 2.502 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CC(Oc2ccccc2)C1 ZINC000685704439 546385720 /nfs/dbraw/zinc/38/57/20/546385720.db2.gz PWJUANHHLREJKH-UHFFFAOYSA-N -1 3 303.745 2.949 20 0 DFADHM Cc1ccncc1[C@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000685812229 546393020 /nfs/dbraw/zinc/39/30/20/546393020.db2.gz GVDYFMJBVOVPID-LBPRGKRZSA-N -1 3 307.357 2.666 20 0 DFADHM Cc1nc(-c2ccc(N3CCC[C@@H](F)C3)nc2)[n-]c(=O)c1C ZINC000685917570 546408752 /nfs/dbraw/zinc/40/87/52/546408752.db2.gz FIOALROHSKOQNY-CYBMUJFWSA-N -1 3 302.353 2.799 20 0 DFADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@H]1C=CCCC1 ZINC000737523678 598826438 /nfs/dbraw/zinc/82/64/38/598826438.db2.gz REBHFFXPKBOOJH-AWEZNQCLSA-N -1 3 307.361 2.715 20 0 DFADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@H]1C=CCCC1 ZINC000737523678 598826439 /nfs/dbraw/zinc/82/64/39/598826439.db2.gz REBHFFXPKBOOJH-AWEZNQCLSA-N -1 3 307.361 2.715 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737389839 598827845 /nfs/dbraw/zinc/82/78/45/598827845.db2.gz QBUCEXVYLJFBDB-GFCCVEGCSA-N -1 3 308.341 2.884 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737389839 598827847 /nfs/dbraw/zinc/82/78/47/598827847.db2.gz QBUCEXVYLJFBDB-GFCCVEGCSA-N -1 3 308.341 2.884 20 0 DFADHM CC1(C)CCC(CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824795759 607785293 /nfs/dbraw/zinc/78/52/93/607785293.db2.gz CPLJZMDJCKNONS-UHFFFAOYSA-N -1 3 314.393 2.807 20 0 DFADHM CC1(C)CCC(CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824795759 607785294 /nfs/dbraw/zinc/78/52/94/607785294.db2.gz CPLJZMDJCKNONS-UHFFFAOYSA-N -1 3 314.393 2.807 20 0 DFADHM CC(C)(C)CCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735602917 598855124 /nfs/dbraw/zinc/85/51/24/598855124.db2.gz RTSMXJFLTVHAGT-UHFFFAOYSA-N -1 3 300.410 2.989 20 0 DFADHM CC(C)(C)CCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735602917 598855127 /nfs/dbraw/zinc/85/51/27/598855127.db2.gz RTSMXJFLTVHAGT-UHFFFAOYSA-N -1 3 300.410 2.989 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1ccc(Cl)o1 ZINC000822761740 599455415 /nfs/dbraw/zinc/45/54/15/599455415.db2.gz RXBXLKZMAPVDBM-UHFFFAOYSA-N -1 3 307.716 2.542 20 0 DFADHM CN(c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000736841278 598914325 /nfs/dbraw/zinc/91/43/25/598914325.db2.gz CZRIGLWGMSVQRR-QGZVFWFLSA-N -1 3 305.385 2.860 20 0 DFADHM CC(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735752145 598928874 /nfs/dbraw/zinc/92/88/74/598928874.db2.gz XYMBQPGJJIFBRP-CYBMUJFWSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735752145 598928876 /nfs/dbraw/zinc/92/88/76/598928876.db2.gz XYMBQPGJJIFBRP-CYBMUJFWSA-N -1 3 313.405 2.765 20 0 DFADHM C[C@H]1CCCC[C@@H]1N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736276541 598936887 /nfs/dbraw/zinc/93/68/87/598936887.db2.gz ZBOTXWOMDKBGFX-CABZTGNLSA-N -1 3 306.801 2.930 20 0 DFADHM C[C@H]1CCCC[C@@H]1N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736276541 598936888 /nfs/dbraw/zinc/93/68/88/598936888.db2.gz ZBOTXWOMDKBGFX-CABZTGNLSA-N -1 3 306.801 2.930 20 0 DFADHM CCN(C(=O)C1CC=CC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501487 598939557 /nfs/dbraw/zinc/93/95/57/598939557.db2.gz CPTDAINZLQYAEG-GFCCVEGCSA-N -1 3 311.389 2.742 20 0 DFADHM CCN(C(=O)C1CC=CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501487 598939559 /nfs/dbraw/zinc/93/95/59/598939559.db2.gz CPTDAINZLQYAEG-GFCCVEGCSA-N -1 3 311.389 2.742 20 0 DFADHM C[C@H](c1ccccn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736204963 598940035 /nfs/dbraw/zinc/94/00/35/598940035.db2.gz UWGONXABGCZRGP-SECBINFHSA-N -1 3 315.768 2.508 20 0 DFADHM C[C@H](c1ccccn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736204963 598940037 /nfs/dbraw/zinc/94/00/37/598940037.db2.gz UWGONXABGCZRGP-SECBINFHSA-N -1 3 315.768 2.508 20 0 DFADHM Cc1ccccc1C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000737427006 598942947 /nfs/dbraw/zinc/94/29/47/598942947.db2.gz OZZXCSPEPDMDGC-INIZCTEOSA-N -1 3 320.400 2.782 20 0 DFADHM Cc1ccccc1C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000737427006 598942948 /nfs/dbraw/zinc/94/29/48/598942948.db2.gz OZZXCSPEPDMDGC-INIZCTEOSA-N -1 3 320.400 2.782 20 0 DFADHM Cc1ccccc1C[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC000737426512 598943074 /nfs/dbraw/zinc/94/30/74/598943074.db2.gz NUGNEZYXWBGFEQ-HNNXBMFYSA-N -1 3 320.400 2.782 20 0 DFADHM Cc1ccccc1C[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC000737426512 598943076 /nfs/dbraw/zinc/94/30/76/598943076.db2.gz NUGNEZYXWBGFEQ-HNNXBMFYSA-N -1 3 320.400 2.782 20 0 DFADHM CCC(=O)Nc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736308547 598962791 /nfs/dbraw/zinc/96/27/91/598962791.db2.gz DURSDJROKYVWLD-UHFFFAOYSA-N -1 3 322.372 2.827 20 0 DFADHM CCC(=O)Nc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736308547 598962793 /nfs/dbraw/zinc/96/27/93/598962793.db2.gz DURSDJROKYVWLD-UHFFFAOYSA-N -1 3 322.372 2.827 20 0 DFADHM CCc1ccccc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000736702231 598972793 /nfs/dbraw/zinc/97/27/93/598972793.db2.gz MARSRAKKSUCXHB-UHFFFAOYSA-N -1 3 320.400 2.925 20 0 DFADHM CCc1ccccc1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000736702231 598972795 /nfs/dbraw/zinc/97/27/95/598972795.db2.gz MARSRAKKSUCXHB-UHFFFAOYSA-N -1 3 320.400 2.925 20 0 DFADHM Cc1cccn2cc(CNc3cccc(-c4nnn[n-]4)c3C)nc12 ZINC000822121717 607256661 /nfs/dbraw/zinc/25/66/61/607256661.db2.gz GGNWXUKWLPJASK-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1cccn2cc(CNc3cccc(-c4nn[n-]n4)c3C)nc12 ZINC000822121717 607256662 /nfs/dbraw/zinc/25/66/62/607256662.db2.gz GGNWXUKWLPJASK-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM CCOc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)nc1 ZINC000821421622 607256879 /nfs/dbraw/zinc/25/68/79/607256879.db2.gz AOMHJJQEJPGGOC-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)nc1 ZINC000821421622 607256880 /nfs/dbraw/zinc/25/68/80/607256880.db2.gz AOMHJJQEJPGGOC-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM FC(F)(F)CCSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737627919 599010347 /nfs/dbraw/zinc/01/03/47/599010347.db2.gz SCSVMSLQOPFSFC-UHFFFAOYSA-N -1 3 318.324 2.931 20 0 DFADHM FC(F)(F)CCSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737627919 599010349 /nfs/dbraw/zinc/01/03/49/599010349.db2.gz SCSVMSLQOPFSFC-UHFFFAOYSA-N -1 3 318.324 2.931 20 0 DFADHM C[C@H]1CCC[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736253078 599016459 /nfs/dbraw/zinc/01/64/59/599016459.db2.gz SQSVFJQOWUPDMX-STQMWFEESA-N -1 3 313.405 2.813 20 0 DFADHM C[C@H]1CCC[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736253078 599016460 /nfs/dbraw/zinc/01/64/60/599016460.db2.gz SQSVFJQOWUPDMX-STQMWFEESA-N -1 3 313.405 2.813 20 0 DFADHM Cc1nc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000737478482 599326943 /nfs/dbraw/zinc/32/69/43/599326943.db2.gz UXRKFHFXTVDTRX-QMMMGPOBSA-N -1 3 302.363 2.553 20 0 DFADHM Cc1nc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000737478482 599326947 /nfs/dbraw/zinc/32/69/47/599326947.db2.gz UXRKFHFXTVDTRX-QMMMGPOBSA-N -1 3 302.363 2.553 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1cccnc1 ZINC000737291480 599027048 /nfs/dbraw/zinc/02/70/48/599027048.db2.gz MPIHNUUVKCCOKF-LBPRGKRZSA-N -1 3 322.372 2.702 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1cccnc1 ZINC000737291480 599027050 /nfs/dbraw/zinc/02/70/50/599027050.db2.gz MPIHNUUVKCCOKF-LBPRGKRZSA-N -1 3 322.372 2.702 20 0 DFADHM CC[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736400906 599050269 /nfs/dbraw/zinc/05/02/69/599050269.db2.gz DFSSWJHKZGQFCC-MRVPVSSYSA-N -1 3 312.299 2.659 20 0 DFADHM CC[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736400906 599050272 /nfs/dbraw/zinc/05/02/72/599050272.db2.gz DFSSWJHKZGQFCC-MRVPVSSYSA-N -1 3 312.299 2.659 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2C2CC2)n1 ZINC000737633350 599055444 /nfs/dbraw/zinc/05/54/44/599055444.db2.gz QMLUKAIGCOWYAQ-JTQLQIEISA-N -1 3 324.310 2.659 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2C2CC2)n1 ZINC000737633350 599055447 /nfs/dbraw/zinc/05/54/47/599055447.db2.gz QMLUKAIGCOWYAQ-JTQLQIEISA-N -1 3 324.310 2.659 20 0 DFADHM C[C@H](CCc1cccn1C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000820254473 599054896 /nfs/dbraw/zinc/05/48/96/599054896.db2.gz PXADKQYFCYSJTC-LLVKDONJSA-N -1 3 314.368 2.778 20 0 DFADHM C[C@H](CCc1cccn1C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000820254473 599054899 /nfs/dbraw/zinc/05/48/99/599054899.db2.gz PXADKQYFCYSJTC-LLVKDONJSA-N -1 3 314.368 2.778 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC000736233640 599060912 /nfs/dbraw/zinc/06/09/12/599060912.db2.gz FVNZVTISOUWJPS-IUODEOHRSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC000736233640 599060915 /nfs/dbraw/zinc/06/09/15/599060915.db2.gz FVNZVTISOUWJPS-IUODEOHRSA-N -1 3 306.373 2.644 20 0 DFADHM Cc1cc(C)cc(C[C@@H](C)Nc2ncccc2-c2nnn[n-]2)c1 ZINC000822196268 599062906 /nfs/dbraw/zinc/06/29/06/599062906.db2.gz BORHHNNZAMJIAI-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1cc(C)cc(C[C@@H](C)Nc2ncccc2-c2nn[n-]n2)c1 ZINC000822196268 599062909 /nfs/dbraw/zinc/06/29/09/599062909.db2.gz BORHHNNZAMJIAI-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1cc(C)cc(C[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000822196239 599063155 /nfs/dbraw/zinc/06/31/55/599063155.db2.gz AWRBGPYVRHMPQQ-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1cc(C)cc(C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822196239 599063158 /nfs/dbraw/zinc/06/31/58/599063158.db2.gz AWRBGPYVRHMPQQ-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCSC1 ZINC000822718688 599078822 /nfs/dbraw/zinc/07/88/22/599078822.db2.gz OSRJPHDHXOSKQX-QMMMGPOBSA-N -1 3 315.324 2.803 20 0 DFADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820280389 599080526 /nfs/dbraw/zinc/08/05/26/599080526.db2.gz FCGHSBTYEVGHQZ-NSHDSACASA-N -1 3 312.402 2.854 20 0 DFADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820280389 599080529 /nfs/dbraw/zinc/08/05/29/599080529.db2.gz FCGHSBTYEVGHQZ-NSHDSACASA-N -1 3 312.402 2.854 20 0 DFADHM CC[C@@]1(C)CCCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000820951283 599089807 /nfs/dbraw/zinc/08/98/07/599089807.db2.gz XMAHOEUSAGEDJX-KRWDZBQOSA-N -1 3 312.421 2.767 20 0 DFADHM CC[C@@]1(C)CCCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000820951283 599089811 /nfs/dbraw/zinc/08/98/11/599089811.db2.gz XMAHOEUSAGEDJX-KRWDZBQOSA-N -1 3 312.421 2.767 20 0 DFADHM CC(C)[C@H]1CN(c2ccc(F)cc2-c2nnn[n-]2)CCS1 ZINC000820045538 599096977 /nfs/dbraw/zinc/09/69/77/599096977.db2.gz NBUAOZJHCHYYPF-CYBMUJFWSA-N -1 3 307.398 2.584 20 0 DFADHM CC(C)[C@H]1CN(c2ccc(F)cc2-c2nn[n-]n2)CCS1 ZINC000820045538 599096978 /nfs/dbraw/zinc/09/69/78/599096978.db2.gz NBUAOZJHCHYYPF-CYBMUJFWSA-N -1 3 307.398 2.584 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cn1 ZINC000821609847 599104710 /nfs/dbraw/zinc/10/47/10/599104710.db2.gz OPSBPYJKJZVQAB-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cn1 ZINC000821609847 599104711 /nfs/dbraw/zinc/10/47/11/599104711.db2.gz OPSBPYJKJZVQAB-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1nc(C2CC2)no1 ZINC000736190355 599109298 /nfs/dbraw/zinc/10/92/98/599109298.db2.gz DELWYNZOTQFIEZ-QMMMGPOBSA-N -1 3 314.374 2.980 20 0 DFADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)c1nc(C2CC2)no1 ZINC000736190355 599109301 /nfs/dbraw/zinc/10/93/01/599109301.db2.gz DELWYNZOTQFIEZ-QMMMGPOBSA-N -1 3 314.374 2.980 20 0 DFADHM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2F)C12CCC2 ZINC000736611991 599119930 /nfs/dbraw/zinc/11/99/30/599119930.db2.gz LDTCHJKVRDYBOZ-ZIAGYGMSSA-N -1 3 317.368 2.765 20 0 DFADHM Cc1nnc(N[C@H]2C[C@H]2C2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737522441 599120595 /nfs/dbraw/zinc/12/05/95/599120595.db2.gz SQGVYMPSMGMAJB-STQMWFEESA-N -1 3 313.409 2.654 20 0 DFADHM Cc1nnc(N[C@H]2C[C@H]2C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737522441 599120599 /nfs/dbraw/zinc/12/05/99/599120599.db2.gz SQGVYMPSMGMAJB-STQMWFEESA-N -1 3 313.409 2.654 20 0 DFADHM CC(C)CN(Cc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735830037 599129686 /nfs/dbraw/zinc/12/96/86/599129686.db2.gz AJJRNYGILHNKPA-UHFFFAOYSA-N -1 3 308.389 2.924 20 0 DFADHM CC(C)[C@H](C)S[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820550185 599131107 /nfs/dbraw/zinc/13/11/07/599131107.db2.gz VKEFLHFBVLPBID-QWRGUYRKSA-N -1 3 319.434 2.971 20 0 DFADHM CC(C)[C@H](C)S[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820550185 599131109 /nfs/dbraw/zinc/13/11/09/599131109.db2.gz VKEFLHFBVLPBID-QWRGUYRKSA-N -1 3 319.434 2.971 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc2cc[nH]c21 ZINC000822220339 599149532 /nfs/dbraw/zinc/14/95/32/599149532.db2.gz MSZZZROIEXVNKX-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2cc[nH]c21 ZINC000822220339 599149534 /nfs/dbraw/zinc/14/95/34/599149534.db2.gz MSZZZROIEXVNKX-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM C/C(=C/C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000819766190 599152776 /nfs/dbraw/zinc/15/27/76/599152776.db2.gz VXZFUBIKOKQVEK-YFHOEESVSA-N -1 3 317.368 2.614 20 0 DFADHM C/C(=C/C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000819766190 599152778 /nfs/dbraw/zinc/15/27/78/599152778.db2.gz VXZFUBIKOKQVEK-YFHOEESVSA-N -1 3 317.368 2.614 20 0 DFADHM COc1ccc(-c2nc3c(cccc3F)n2C)cc1-c1nnn[n-]1 ZINC000821732478 599155624 /nfs/dbraw/zinc/15/56/24/599155624.db2.gz OHBIDSHAFSMMPP-UHFFFAOYSA-N -1 3 324.319 2.568 20 0 DFADHM COc1ccc(-c2nc3c(cccc3F)n2C)cc1-c1nn[n-]n1 ZINC000821732478 599155628 /nfs/dbraw/zinc/15/56/28/599155628.db2.gz OHBIDSHAFSMMPP-UHFFFAOYSA-N -1 3 324.319 2.568 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820868983 599159359 /nfs/dbraw/zinc/15/93/59/599159359.db2.gz DKSPNSCBIAAOGG-CCJARXIYSA-N -1 3 313.405 2.821 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820868983 599159360 /nfs/dbraw/zinc/15/93/60/599159360.db2.gz DKSPNSCBIAAOGG-CCJARXIYSA-N -1 3 313.405 2.821 20 0 DFADHM Cc1noc(C)c1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737537899 599168992 /nfs/dbraw/zinc/16/89/92/599168992.db2.gz PKAXNHBIBIRQFU-UHFFFAOYSA-N -1 3 305.338 2.903 20 0 DFADHM Cc1noc(C)c1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737537899 599168996 /nfs/dbraw/zinc/16/89/96/599168996.db2.gz PKAXNHBIBIRQFU-UHFFFAOYSA-N -1 3 305.338 2.903 20 0 DFADHM O=C(C=C1CCCCC1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822921936 599171992 /nfs/dbraw/zinc/17/19/92/599171992.db2.gz AQHPLDGQAQLYMX-UHFFFAOYSA-N -1 3 315.352 2.513 20 0 DFADHM O=C(C=C1CCCCC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822921936 599171999 /nfs/dbraw/zinc/17/19/99/599171999.db2.gz AQHPLDGQAQLYMX-UHFFFAOYSA-N -1 3 315.352 2.513 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccco1 ZINC000738178813 599181740 /nfs/dbraw/zinc/18/17/40/599181740.db2.gz LJSQKSSHVWLWJM-CYBMUJFWSA-N -1 3 324.344 2.829 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccco1 ZINC000738178813 599181743 /nfs/dbraw/zinc/18/17/43/599181743.db2.gz LJSQKSSHVWLWJM-CYBMUJFWSA-N -1 3 324.344 2.829 20 0 DFADHM CCCC(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736416196 599187432 /nfs/dbraw/zinc/18/74/32/599187432.db2.gz LWKAXXQIJNJQSA-UHFFFAOYSA-N -1 3 318.381 2.576 20 0 DFADHM CCCC(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736416196 599187435 /nfs/dbraw/zinc/18/74/35/599187435.db2.gz LWKAXXQIJNJQSA-UHFFFAOYSA-N -1 3 318.381 2.576 20 0 DFADHM CC(C)(C)C[C@H](O)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735604356 599230634 /nfs/dbraw/zinc/23/06/34/599230634.db2.gz VNVVYLCMGYMAEL-JTQLQIEISA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)(C)C[C@H](O)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735604356 599230637 /nfs/dbraw/zinc/23/06/37/599230637.db2.gz VNVVYLCMGYMAEL-JTQLQIEISA-N -1 3 309.801 2.729 20 0 DFADHM Cc1ncsc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737504270 599361942 /nfs/dbraw/zinc/36/19/42/599361942.db2.gz ZQOAPMMFQUNWOM-VIFPVBQESA-N -1 3 315.358 2.550 20 0 DFADHM Cc1ncsc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737504270 599361943 /nfs/dbraw/zinc/36/19/43/599361943.db2.gz ZQOAPMMFQUNWOM-VIFPVBQESA-N -1 3 315.358 2.550 20 0 DFADHM Cc1c(NC(=O)[C@H](C)Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822060442 607270372 /nfs/dbraw/zinc/27/03/72/607270372.db2.gz HLBZWQKTFVTVCM-GFCCVEGCSA-N -1 3 321.384 2.992 20 0 DFADHM Cc1c(NC(=O)[C@H](C)Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822060442 607270373 /nfs/dbraw/zinc/27/03/73/607270373.db2.gz HLBZWQKTFVTVCM-GFCCVEGCSA-N -1 3 321.384 2.992 20 0 DFADHM CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000820919795 599242768 /nfs/dbraw/zinc/24/27/68/599242768.db2.gz GQXPCHBARJOFHD-CQSZACIVSA-N -1 3 323.360 2.535 20 0 DFADHM CC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000820919795 599242771 /nfs/dbraw/zinc/24/27/71/599242771.db2.gz GQXPCHBARJOFHD-CQSZACIVSA-N -1 3 323.360 2.535 20 0 DFADHM CC(C)c1cccnc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000824353105 607777859 /nfs/dbraw/zinc/77/78/59/607777859.db2.gz XYVSTISOBARXJD-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM CC(C)c1cccnc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000824353105 607777860 /nfs/dbraw/zinc/77/78/60/607777860.db2.gz XYVSTISOBARXJD-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCC1 ZINC000821572024 599249721 /nfs/dbraw/zinc/24/97/21/599249721.db2.gz OPPUWRQOAPGMDP-UHFFFAOYSA-N -1 3 306.757 2.536 20 0 DFADHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCC1 ZINC000821572024 599249722 /nfs/dbraw/zinc/24/97/22/599249722.db2.gz OPPUWRQOAPGMDP-UHFFFAOYSA-N -1 3 306.757 2.536 20 0 DFADHM CC[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820978865 607280407 /nfs/dbraw/zinc/28/04/07/607280407.db2.gz DPKYUKUAIFKOLQ-FZMZJTMJSA-N -1 3 314.393 2.875 20 0 DFADHM CC[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820978865 607280408 /nfs/dbraw/zinc/28/04/08/607280408.db2.gz DPKYUKUAIFKOLQ-FZMZJTMJSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822083583 607284068 /nfs/dbraw/zinc/28/40/68/607284068.db2.gz CULLVQYCVPIYMI-GHMZBOCLSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1c(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822083583 607284069 /nfs/dbraw/zinc/28/40/69/607284069.db2.gz CULLVQYCVPIYMI-GHMZBOCLSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)Oc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822059593 607294042 /nfs/dbraw/zinc/29/40/42/607294042.db2.gz DFIADVVNZPCVFB-GFCCVEGCSA-N -1 3 323.356 2.581 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)Oc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822059593 607294043 /nfs/dbraw/zinc/29/40/43/607294043.db2.gz DFIADVVNZPCVFB-GFCCVEGCSA-N -1 3 323.356 2.581 20 0 DFADHM Cc1c(NC(=O)c2ncoc2C(C)C)cccc1-c1nnn[n-]1 ZINC000822116262 607295926 /nfs/dbraw/zinc/29/59/26/607295926.db2.gz OSCDHXPGTXFXLL-UHFFFAOYSA-N -1 3 312.333 2.539 20 0 DFADHM Cc1c(NC(=O)c2ncoc2C(C)C)cccc1-c1nn[n-]n1 ZINC000822116262 607295927 /nfs/dbraw/zinc/29/59/27/607295927.db2.gz OSCDHXPGTXFXLL-UHFFFAOYSA-N -1 3 312.333 2.539 20 0 DFADHM Cc1c(NC(=O)C[C@H](C)c2ccncc2)cccc1-c1nnn[n-]1 ZINC000822069452 607297467 /nfs/dbraw/zinc/29/74/67/607297467.db2.gz ZYADYMCZVDUANU-NSHDSACASA-N -1 3 322.372 2.702 20 0 DFADHM Cc1c(NC(=O)C[C@H](C)c2ccncc2)cccc1-c1nn[n-]n1 ZINC000822069452 607297468 /nfs/dbraw/zinc/29/74/68/607297468.db2.gz ZYADYMCZVDUANU-NSHDSACASA-N -1 3 322.372 2.702 20 0 DFADHM COc1ccc(CNc2ccc(C)c(F)c2)cc1-c1nnn[n-]1 ZINC000821821586 607308121 /nfs/dbraw/zinc/30/81/21/607308121.db2.gz MFGVSZIYYSNXDY-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(CNc2ccc(C)c(F)c2)cc1-c1nn[n-]n1 ZINC000821821586 607308122 /nfs/dbraw/zinc/30/81/22/607308122.db2.gz MFGVSZIYYSNXDY-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(CNc2cccc(F)c2C)cc1-c1nnn[n-]1 ZINC000821821506 607311494 /nfs/dbraw/zinc/31/14/94/607311494.db2.gz IOJREVZOSUDWKZ-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(CNc2cccc(F)c2C)cc1-c1nn[n-]n1 ZINC000821821506 607311495 /nfs/dbraw/zinc/31/14/95/607311495.db2.gz IOJREVZOSUDWKZ-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1N(C)C ZINC000822209421 607313353 /nfs/dbraw/zinc/31/33/53/607313353.db2.gz IKWIZXDQEHMSFA-UHFFFAOYSA-N -1 3 314.418 2.915 20 0 DFADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1N(C)C ZINC000822209421 607313354 /nfs/dbraw/zinc/31/33/54/607313354.db2.gz IKWIZXDQEHMSFA-UHFFFAOYSA-N -1 3 314.418 2.915 20 0 DFADHM Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1N(C)C ZINC000822209693 607313492 /nfs/dbraw/zinc/31/34/92/607313492.db2.gz SEWVVPSKAVSQSO-UHFFFAOYSA-N -1 3 314.418 2.915 20 0 DFADHM Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1N(C)C ZINC000822209693 607313493 /nfs/dbraw/zinc/31/34/93/607313493.db2.gz SEWVVPSKAVSQSO-UHFFFAOYSA-N -1 3 314.418 2.915 20 0 DFADHM c1cn(-c2cccc(NCc3cccc(-c4nnn[n-]4)c3)c2)cn1 ZINC000823751618 607313670 /nfs/dbraw/zinc/31/36/70/607313670.db2.gz NBZZZJDTEHJXCG-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM c1cn(-c2cccc(NCc3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000823751618 607313671 /nfs/dbraw/zinc/31/36/71/607313671.db2.gz NBZZZJDTEHJXCG-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM CCc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)o1 ZINC000736686081 599265959 /nfs/dbraw/zinc/26/59/59/599265959.db2.gz NVCRSAZURAJXRK-CYBMUJFWSA-N -1 3 310.361 2.759 20 0 DFADHM CCc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)o1 ZINC000736686081 599265960 /nfs/dbraw/zinc/26/59/60/599265960.db2.gz NVCRSAZURAJXRK-CYBMUJFWSA-N -1 3 310.361 2.759 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc2c(c1)COC2 ZINC000822748401 607305717 /nfs/dbraw/zinc/30/57/17/607305717.db2.gz XHLBDKXNMWULSM-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM CCc1ccc([C@H]2CCCN2c2ncccc2-c2nnn[n-]2)o1 ZINC000736689356 599266767 /nfs/dbraw/zinc/26/67/67/599266767.db2.gz WFXIORLKEJXFID-CYBMUJFWSA-N -1 3 310.361 2.759 20 0 DFADHM CCc1ccc([C@H]2CCCN2c2ncccc2-c2nn[n-]n2)o1 ZINC000736689356 599266768 /nfs/dbraw/zinc/26/67/68/599266768.db2.gz WFXIORLKEJXFID-CYBMUJFWSA-N -1 3 310.361 2.759 20 0 DFADHM CCCCCSCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736451337 599276348 /nfs/dbraw/zinc/27/63/48/599276348.db2.gz KNTONZSIHCCTSX-UHFFFAOYSA-N -1 3 305.407 2.729 20 0 DFADHM CCCCCSCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736451337 599276351 /nfs/dbraw/zinc/27/63/51/599276351.db2.gz KNTONZSIHCCTSX-UHFFFAOYSA-N -1 3 305.407 2.729 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1 ZINC000736488450 599279067 /nfs/dbraw/zinc/27/90/67/599279067.db2.gz QRNYVDRIVHZDRP-UHFFFAOYSA-N -1 3 322.372 2.941 20 0 DFADHM CN(CCC(=O)[O-])Cc1ccccc1OCc1ccccn1 ZINC000820585821 598127076 /nfs/dbraw/zinc/12/70/76/598127076.db2.gz AVMPWEAEVDHKIJ-UHFFFAOYSA-N -1 3 300.358 2.567 20 0 DFADHM CCCOc1cccc(CCNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821138528 607329963 /nfs/dbraw/zinc/32/99/63/607329963.db2.gz AZHSIYGTMMZUBJ-UHFFFAOYSA-N -1 3 324.388 2.705 20 0 DFADHM CCCOc1cccc(CCNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821138528 607329964 /nfs/dbraw/zinc/32/99/64/607329964.db2.gz AZHSIYGTMMZUBJ-UHFFFAOYSA-N -1 3 324.388 2.705 20 0 DFADHM COC(=O)/C(C)=C/CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826098633 607844561 /nfs/dbraw/zinc/84/45/61/607844561.db2.gz KLFHJRCOXVPOAV-VMPITWQZSA-N -1 3 324.793 2.732 20 0 DFADHM COC(=O)/C(C)=C/CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826098633 607844562 /nfs/dbraw/zinc/84/45/62/607844562.db2.gz KLFHJRCOXVPOAV-VMPITWQZSA-N -1 3 324.793 2.732 20 0 DFADHM COC(=O)c1oc([C@H](C)N2CCC[C@@H](CC(=O)[O-])C2)cc1C ZINC000820693806 598172400 /nfs/dbraw/zinc/17/24/00/598172400.db2.gz GZRXCLCXVWJYTG-RYUDHWBXSA-N -1 3 309.362 2.622 20 0 DFADHM CC(C)(C)[C@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000735595068 598232973 /nfs/dbraw/zinc/23/29/73/598232973.db2.gz DMYYMBQJGQDNSX-SNVBAGLBSA-N -1 3 305.407 2.579 20 0 DFADHM CC(C)(C)[C@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000735595068 598232974 /nfs/dbraw/zinc/23/29/74/598232974.db2.gz DMYYMBQJGQDNSX-SNVBAGLBSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736298513 598239146 /nfs/dbraw/zinc/23/91/46/598239146.db2.gz QSABOFFZLANVRG-GFCCVEGCSA-N -1 3 319.368 2.706 20 0 DFADHM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736298513 598239147 /nfs/dbraw/zinc/23/91/47/598239147.db2.gz QSABOFFZLANVRG-GFCCVEGCSA-N -1 3 319.368 2.706 20 0 DFADHM CC(C)(C)n1cc(Nc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000735662806 598242346 /nfs/dbraw/zinc/24/23/46/598242346.db2.gz YAYWCOQYQFMVQS-UHFFFAOYSA-N -1 3 301.329 2.701 20 0 DFADHM CC(C)(C)n1cc(Nc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000735662806 598242348 /nfs/dbraw/zinc/24/23/48/598242348.db2.gz YAYWCOQYQFMVQS-UHFFFAOYSA-N -1 3 301.329 2.701 20 0 DFADHM Fc1cccc([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000737665580 598246662 /nfs/dbraw/zinc/24/66/62/598246662.db2.gz HOMKDOHBWOSSDX-AWEZNQCLSA-N -1 3 309.348 3.000 20 0 DFADHM Fc1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC000737648048 598248537 /nfs/dbraw/zinc/24/85/37/598248537.db2.gz FHIMRLXRXZIXDU-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC000737648048 598248539 /nfs/dbraw/zinc/24/85/39/598248539.db2.gz FHIMRLXRXZIXDU-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM CN(C(=O)C=C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731963 598280204 /nfs/dbraw/zinc/28/02/04/598280204.db2.gz HZMZOCNBIFQFKL-UHFFFAOYSA-N -1 3 315.352 2.859 20 0 DFADHM CN(C(=O)C=C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731963 598280205 /nfs/dbraw/zinc/28/02/05/598280205.db2.gz HZMZOCNBIFQFKL-UHFFFAOYSA-N -1 3 315.352 2.859 20 0 DFADHM CN(C(=O)CSC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736736613 598282216 /nfs/dbraw/zinc/28/22/16/598282216.db2.gz FECOFGUBGFFOMP-UHFFFAOYSA-N -1 3 323.397 2.500 20 0 DFADHM CN(C(=O)CSC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736736613 598282218 /nfs/dbraw/zinc/28/22/18/598282218.db2.gz FECOFGUBGFFOMP-UHFFFAOYSA-N -1 3 323.397 2.500 20 0 DFADHM CN(C(=O)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731806 598311024 /nfs/dbraw/zinc/31/10/24/598311024.db2.gz JHZOOKASNDCPIW-UHFFFAOYSA-N -1 3 303.341 2.549 20 0 DFADHM CN(C(=O)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731806 598311026 /nfs/dbraw/zinc/31/10/26/598311026.db2.gz JHZOOKASNDCPIW-UHFFFAOYSA-N -1 3 303.341 2.549 20 0 DFADHM Fc1ccc(-c2ccn(Cc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737654037 598313029 /nfs/dbraw/zinc/31/30/29/598313029.db2.gz WVJASJBSUMGNAT-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1ccc(-c2ccn(Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737654037 598313031 /nfs/dbraw/zinc/31/30/31/598313031.db2.gz WVJASJBSUMGNAT-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1cccc(F)c1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000737639343 598316468 /nfs/dbraw/zinc/31/64/68/598316468.db2.gz PIEGQDGJOMNMPS-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM Fc1cccc(F)c1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000737639343 598316470 /nfs/dbraw/zinc/31/64/70/598316470.db2.gz PIEGQDGJOMNMPS-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM CC(C)CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735811507 598316569 /nfs/dbraw/zinc/31/65/69/598316569.db2.gz KFFLVZJKDOKKHB-UHFFFAOYSA-N -1 3 324.841 2.853 20 0 DFADHM CC(C)CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735811507 598316571 /nfs/dbraw/zinc/31/65/71/598316571.db2.gz KFFLVZJKDOKKHB-UHFFFAOYSA-N -1 3 324.841 2.853 20 0 DFADHM C[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000736126915 598318405 /nfs/dbraw/zinc/31/84/05/598318405.db2.gz PGOAPGSQUKDYHG-SSDOTTSWSA-N -1 3 322.825 2.605 20 0 DFADHM C[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000736126915 598318406 /nfs/dbraw/zinc/31/84/06/598318406.db2.gz PGOAPGSQUKDYHG-SSDOTTSWSA-N -1 3 322.825 2.605 20 0 DFADHM C[C@H](NC(=O)N(C)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112079 598332443 /nfs/dbraw/zinc/33/24/43/598332443.db2.gz PJCXXZPSYWRMAN-NSHDSACASA-N -1 3 314.393 2.512 20 0 DFADHM C[C@H](NC(=O)N(C)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112079 598332442 /nfs/dbraw/zinc/33/24/42/598332442.db2.gz PJCXXZPSYWRMAN-NSHDSACASA-N -1 3 314.393 2.512 20 0 DFADHM Cc1cc(F)ccc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000822206080 607352818 /nfs/dbraw/zinc/35/28/18/607352818.db2.gz TYUOQSYTLVRIJE-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(F)ccc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000822206080 607352819 /nfs/dbraw/zinc/35/28/19/607352819.db2.gz TYUOQSYTLVRIJE-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CCc1nc(CCNc2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000736699064 598353192 /nfs/dbraw/zinc/35/31/92/598353192.db2.gz IERNILMNPDWYCX-UHFFFAOYSA-N -1 3 318.381 2.679 20 0 DFADHM CCc1nc(CCNc2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000736699064 598353193 /nfs/dbraw/zinc/35/31/93/598353193.db2.gz IERNILMNPDWYCX-UHFFFAOYSA-N -1 3 318.381 2.679 20 0 DFADHM CCN(Cc1ccoc1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736555761 598354377 /nfs/dbraw/zinc/35/43/77/598354377.db2.gz LZHFDJKBQGENCV-UHFFFAOYSA-N -1 3 301.325 2.621 20 0 DFADHM CCN(Cc1ccoc1)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736555761 598354379 /nfs/dbraw/zinc/35/43/79/598354379.db2.gz LZHFDJKBQGENCV-UHFFFAOYSA-N -1 3 301.325 2.621 20 0 DFADHM Cc1ccccc1C1(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC000737420004 598354807 /nfs/dbraw/zinc/35/48/07/598354807.db2.gz GOPQXXQJORZRIY-UHFFFAOYSA-N -1 3 306.373 2.714 20 0 DFADHM Cc1ccccc1C1(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC000737420004 598354809 /nfs/dbraw/zinc/35/48/09/598354809.db2.gz GOPQXXQJORZRIY-UHFFFAOYSA-N -1 3 306.373 2.714 20 0 DFADHM COc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000737041138 598360571 /nfs/dbraw/zinc/36/05/71/598360571.db2.gz MUMZEWOJSAJLDT-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000737041138 598360572 /nfs/dbraw/zinc/36/05/72/598360572.db2.gz MUMZEWOJSAJLDT-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM Cc1cccc(CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737391372 598365450 /nfs/dbraw/zinc/36/54/50/598365450.db2.gz ARGHZTLJHRUKFS-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1cccc(CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391372 598365451 /nfs/dbraw/zinc/36/54/51/598365451.db2.gz ARGHZTLJHRUKFS-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCc2ccncc2)n1 ZINC000737242876 598372641 /nfs/dbraw/zinc/37/26/41/598372641.db2.gz ZSNKGFCOKSABDA-UHFFFAOYSA-N -1 3 312.402 2.608 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCc2ccncc2)n1 ZINC000737242876 598372643 /nfs/dbraw/zinc/37/26/43/598372643.db2.gz ZSNKGFCOKSABDA-UHFFFAOYSA-N -1 3 312.402 2.608 20 0 DFADHM CN(Cc1cccc(F)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736829073 598386433 /nfs/dbraw/zinc/38/64/33/598386433.db2.gz WBHGNGMEYODYGO-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1cccc(F)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736829073 598386435 /nfs/dbraw/zinc/38/64/35/598386435.db2.gz WBHGNGMEYODYGO-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccc2c(c1)OCCO2 ZINC000737220726 598394659 /nfs/dbraw/zinc/39/46/59/598394659.db2.gz DUYRJVLTOIAQIQ-UHFFFAOYSA-N -1 3 324.340 2.525 20 0 DFADHM C[C@H]1c2ccccc2CCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736305503 598398474 /nfs/dbraw/zinc/39/84/74/598398474.db2.gz USCVSUIXVDAMML-LBPRGKRZSA-N -1 3 319.368 2.626 20 0 DFADHM C[C@H]1c2ccccc2CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736305503 598398476 /nfs/dbraw/zinc/39/84/76/598398476.db2.gz USCVSUIXVDAMML-LBPRGKRZSA-N -1 3 319.368 2.626 20 0 DFADHM COc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737103894 598415548 /nfs/dbraw/zinc/41/55/48/598415548.db2.gz KJJJNCSYEBNYDV-UHFFFAOYSA-N -1 3 310.317 2.519 20 0 DFADHM COc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737103894 598415549 /nfs/dbraw/zinc/41/55/49/598415549.db2.gz KJJJNCSYEBNYDV-UHFFFAOYSA-N -1 3 310.317 2.519 20 0 DFADHM Cc1nc2ccccc2nc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737490503 598416309 /nfs/dbraw/zinc/41/63/09/598416309.db2.gz VPKYJTRHHFIGIK-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cccc(N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737395993 598418351 /nfs/dbraw/zinc/41/83/51/598418351.db2.gz DSYDUSSZJOCKFT-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM Cc1cccc(N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737395993 598418354 /nfs/dbraw/zinc/41/83/54/598418354.db2.gz DSYDUSSZJOCKFT-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1F ZINC000736816680 598422101 /nfs/dbraw/zinc/42/21/01/598422101.db2.gz NBNXJGMYOGHCSY-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1F ZINC000736816680 598422103 /nfs/dbraw/zinc/42/21/03/598422103.db2.gz NBNXJGMYOGHCSY-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CC(C)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735933508 598435221 /nfs/dbraw/zinc/43/52/21/598435221.db2.gz XTPBGIXVKSPVOS-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735933508 598435223 /nfs/dbraw/zinc/43/52/23/598435223.db2.gz XTPBGIXVKSPVOS-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CCCCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736451278 598436173 /nfs/dbraw/zinc/43/61/73/598436173.db2.gz IRMBZNAOMUJLBM-UHFFFAOYSA-N -1 3 322.372 2.709 20 0 DFADHM CCCCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736451278 598436174 /nfs/dbraw/zinc/43/61/74/598436174.db2.gz IRMBZNAOMUJLBM-UHFFFAOYSA-N -1 3 322.372 2.709 20 0 DFADHM CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCC[C@H]1C ZINC000736508029 598445973 /nfs/dbraw/zinc/44/59/73/598445973.db2.gz IHPQTCRQZRMBKL-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCC[C@H]1C ZINC000736508029 598445971 /nfs/dbraw/zinc/44/59/71/598445971.db2.gz IHPQTCRQZRMBKL-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CCCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736489830 598468624 /nfs/dbraw/zinc/46/86/24/598468624.db2.gz BKBGPPVNUSNXQE-UHFFFAOYSA-N -1 3 310.361 2.663 20 0 DFADHM COc1cc(Cl)ccc1CNc1ncccc1-c1nnn[n-]1 ZINC000737046962 598469113 /nfs/dbraw/zinc/46/91/13/598469113.db2.gz IXRLIPDPNJZZFJ-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1cc(Cl)ccc1CNc1ncccc1-c1nn[n-]n1 ZINC000737046962 598469114 /nfs/dbraw/zinc/46/91/14/598469114.db2.gz IXRLIPDPNJZZFJ-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM Cc1nc([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000737471394 598469226 /nfs/dbraw/zinc/46/92/26/598469226.db2.gz PUQDEFPEZJGULW-SSDOTTSWSA-N -1 3 304.354 2.944 20 0 DFADHM Cc1nc([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000737471394 598469227 /nfs/dbraw/zinc/46/92/27/598469227.db2.gz PUQDEFPEZJGULW-SSDOTTSWSA-N -1 3 304.354 2.944 20 0 DFADHM CCCCCCOCC(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736447975 598475443 /nfs/dbraw/zinc/47/54/43/598475443.db2.gz WKEMYWFGPIJVMV-UHFFFAOYSA-N -1 3 318.377 2.507 20 0 DFADHM CCCCCCOCC(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736447975 598475445 /nfs/dbraw/zinc/47/54/45/598475445.db2.gz WKEMYWFGPIJVMV-UHFFFAOYSA-N -1 3 318.377 2.507 20 0 DFADHM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(C)cc1 ZINC000736381734 598485029 /nfs/dbraw/zinc/48/50/29/598485029.db2.gz JZKLXKNDMNIRGD-HNNXBMFYSA-N -1 3 323.356 2.878 20 0 DFADHM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(C)cc1 ZINC000736381734 598485030 /nfs/dbraw/zinc/48/50/30/598485030.db2.gz JZKLXKNDMNIRGD-HNNXBMFYSA-N -1 3 323.356 2.878 20 0 DFADHM C[C@H](OC(=O)COc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156075 598490616 /nfs/dbraw/zinc/49/06/16/598490616.db2.gz TXVMTUXJMXOKSM-LBPRGKRZSA-N -1 3 324.340 2.550 20 0 DFADHM C[C@H](OC(=O)COc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156075 598490618 /nfs/dbraw/zinc/49/06/18/598490618.db2.gz TXVMTUXJMXOKSM-LBPRGKRZSA-N -1 3 324.340 2.550 20 0 DFADHM Cc1ccc([S@@](=O)Cc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737370266 598491038 /nfs/dbraw/zinc/49/10/38/598491038.db2.gz PLTPUGGORYYFAK-QFIPXVFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1ccc([S@@](=O)Cc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737370266 598491039 /nfs/dbraw/zinc/49/10/39/598491039.db2.gz PLTPUGGORYYFAK-QFIPXVFZSA-N -1 3 312.398 2.791 20 0 DFADHM Fc1cccc(Nc2ccn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000737663074 598507209 /nfs/dbraw/zinc/50/72/09/598507209.db2.gz FGYPRJKUXJFYFY-UHFFFAOYSA-N -1 3 321.319 2.935 20 0 DFADHM Fc1cccc(Nc2ccn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000737663074 598507211 /nfs/dbraw/zinc/50/72/11/598507211.db2.gz FGYPRJKUXJFYFY-UHFFFAOYSA-N -1 3 321.319 2.935 20 0 DFADHM CCN(CC)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736529791 598516067 /nfs/dbraw/zinc/51/60/67/598516067.db2.gz RRJCBALCEMHKHN-UHFFFAOYSA-N -1 3 316.409 2.539 20 0 DFADHM CCN(CC)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736529791 598516068 /nfs/dbraw/zinc/51/60/68/598516068.db2.gz RRJCBALCEMHKHN-UHFFFAOYSA-N -1 3 316.409 2.539 20 0 DFADHM Cc1cc(N[C@@H]2C[C@@H]2C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737274988 598523175 /nfs/dbraw/zinc/52/31/75/598523175.db2.gz RZPFXVXXJBXWFA-JOYOIKCWSA-N -1 3 319.372 2.796 20 0 DFADHM Cc1cc(N[C@@H]2C[C@@H]2C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737274988 598523177 /nfs/dbraw/zinc/52/31/77/598523177.db2.gz RZPFXVXXJBXWFA-JOYOIKCWSA-N -1 3 319.372 2.796 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)c(C)c1 ZINC000737333389 598538048 /nfs/dbraw/zinc/53/80/48/598538048.db2.gz ANDONNZCVKYFOE-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)c(C)c1 ZINC000737333389 598538050 /nfs/dbraw/zinc/53/80/50/598538050.db2.gz ANDONNZCVKYFOE-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccc(C)c(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737321642 598541299 /nfs/dbraw/zinc/54/12/99/598541299.db2.gz HJGCCXDNEOKAIF-UHFFFAOYSA-N -1 3 321.384 2.973 20 0 DFADHM Cc1ccc(C)c(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737321642 598541300 /nfs/dbraw/zinc/54/13/00/598541300.db2.gz HJGCCXDNEOKAIF-UHFFFAOYSA-N -1 3 321.384 2.973 20 0 DFADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCCC1 ZINC000738145432 598547292 /nfs/dbraw/zinc/54/72/92/598547292.db2.gz LKGSJHYCJOMXMD-UHFFFAOYSA-N -1 3 323.303 2.597 20 0 DFADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCCC1 ZINC000738145432 598547293 /nfs/dbraw/zinc/54/72/93/598547293.db2.gz LKGSJHYCJOMXMD-UHFFFAOYSA-N -1 3 323.303 2.597 20 0 DFADHM Fc1ccccc1OCCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737668546 598548131 /nfs/dbraw/zinc/54/81/31/598548131.db2.gz GYCUUFKIRFOLRZ-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Fc1ccccc1OCCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737668546 598548132 /nfs/dbraw/zinc/54/81/32/598548132.db2.gz GYCUUFKIRFOLRZ-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM COc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000737098726 598550570 /nfs/dbraw/zinc/55/05/70/598550570.db2.gz YSJMDCQIIVQLMP-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000737098726 598550572 /nfs/dbraw/zinc/55/05/72/598550572.db2.gz YSJMDCQIIVQLMP-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2ccsc21 ZINC000737220467 598551290 /nfs/dbraw/zinc/55/12/90/598551290.db2.gz DSQMAOZHGDIABF-UHFFFAOYSA-N -1 3 310.342 2.972 20 0 DFADHM Fc1cc(OCCCOc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737652741 598558869 /nfs/dbraw/zinc/55/88/69/598558869.db2.gz OPVQOFRZCVWVNI-UHFFFAOYSA-N -1 3 314.320 2.854 20 0 DFADHM Fc1cc(OCCCOc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737652741 598558871 /nfs/dbraw/zinc/55/88/71/598558871.db2.gz OPVQOFRZCVWVNI-UHFFFAOYSA-N -1 3 314.320 2.854 20 0 DFADHM Fc1ccc(NC[C@H]2CC2(Cl)Cl)cc1-c1nn[n-]n1 ZINC000737660823 598603839 /nfs/dbraw/zinc/60/38/39/598603839.db2.gz RLECOXIDRJJQAY-ZCFIWIBFSA-N -1 3 302.140 2.612 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)CCC2 ZINC000738168323 598589826 /nfs/dbraw/zinc/58/98/26/598589826.db2.gz ZTQLPJHUCGWJJY-UHFFFAOYSA-N -1 3 323.331 2.747 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)CCC2 ZINC000738168323 598589828 /nfs/dbraw/zinc/58/98/28/598589828.db2.gz ZTQLPJHUCGWJJY-UHFFFAOYSA-N -1 3 323.331 2.747 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000737316113 598592239 /nfs/dbraw/zinc/59/22/39/598592239.db2.gz SGFANYWVOOKHQI-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000737316113 598592241 /nfs/dbraw/zinc/59/22/41/598592241.db2.gz SGFANYWVOOKHQI-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Fc1ccc(OCCNc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737657076 598603458 /nfs/dbraw/zinc/60/34/58/598603458.db2.gz UISDOQIGJUYJRZ-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1ccc(OCCNc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737657076 598603459 /nfs/dbraw/zinc/60/34/59/598603459.db2.gz UISDOQIGJUYJRZ-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1ccc(NC[C@H]2CC2(Cl)Cl)cc1-c1nnn[n-]1 ZINC000737660823 598603837 /nfs/dbraw/zinc/60/38/37/598603837.db2.gz RLECOXIDRJJQAY-ZCFIWIBFSA-N -1 3 302.140 2.612 20 0 DFADHM CC(=O)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000735495573 598608494 /nfs/dbraw/zinc/60/84/94/598608494.db2.gz KWIOXIOYBCOYEE-UHFFFAOYSA-N -1 3 322.324 2.597 20 0 DFADHM CC(=O)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000735495573 598608496 /nfs/dbraw/zinc/60/84/96/598608496.db2.gz KWIOXIOYBCOYEE-UHFFFAOYSA-N -1 3 322.324 2.597 20 0 DFADHM Cc1csc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737452840 598639896 /nfs/dbraw/zinc/63/98/96/598639896.db2.gz NXCOSCVPRWGIOG-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1csc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737452840 598639898 /nfs/dbraw/zinc/63/98/98/598639898.db2.gz NXCOSCVPRWGIOG-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM CCOc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736650158 598641213 /nfs/dbraw/zinc/64/12/13/598641213.db2.gz BGSWQVKGMRAXAD-UHFFFAOYSA-N -1 3 314.320 2.984 20 0 DFADHM CCOc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736650158 598641215 /nfs/dbraw/zinc/64/12/15/598641215.db2.gz BGSWQVKGMRAXAD-UHFFFAOYSA-N -1 3 314.320 2.984 20 0 DFADHM CC[C@@H](C)CN(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736321320 598643017 /nfs/dbraw/zinc/64/30/17/598643017.db2.gz BDYHRQHMUOPARE-SNVBAGLBSA-N -1 3 304.423 2.541 20 0 DFADHM CC[C@@H](C)CN(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736321320 598643019 /nfs/dbraw/zinc/64/30/19/598643019.db2.gz BDYHRQHMUOPARE-SNVBAGLBSA-N -1 3 304.423 2.541 20 0 DFADHM Fc1ccc(COc2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000737648985 598644923 /nfs/dbraw/zinc/64/49/23/598644923.db2.gz KVJXKKYDCDQWLT-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(COc2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000737648985 598644924 /nfs/dbraw/zinc/64/49/24/598644924.db2.gz KVJXKKYDCDQWLT-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ncoc1C(C)C ZINC000737294897 598656367 /nfs/dbraw/zinc/65/63/67/598656367.db2.gz SHRZXYWKOOUAEH-UHFFFAOYSA-N -1 3 312.333 2.539 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ncoc1C(C)C ZINC000737294897 598656368 /nfs/dbraw/zinc/65/63/68/598656368.db2.gz SHRZXYWKOOUAEH-UHFFFAOYSA-N -1 3 312.333 2.539 20 0 DFADHM CC[C@H](C)[C@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736325952 598656872 /nfs/dbraw/zinc/65/68/72/598656872.db2.gz AFHFBAMGANHBMB-QWRGUYRKSA-N -1 3 319.434 2.510 20 0 DFADHM CC[C@H](C)[C@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736325952 598656874 /nfs/dbraw/zinc/65/68/74/598656874.db2.gz AFHFBAMGANHBMB-QWRGUYRKSA-N -1 3 319.434 2.510 20 0 DFADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1F ZINC000737271248 598660560 /nfs/dbraw/zinc/66/05/60/598660560.db2.gz MEOVBUDGQPPJRB-RMKNXTFCSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1F ZINC000737271248 598660562 /nfs/dbraw/zinc/66/05/62/598660562.db2.gz MEOVBUDGQPPJRB-RMKNXTFCSA-N -1 3 323.331 2.966 20 0 DFADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC000735978171 598661740 /nfs/dbraw/zinc/66/17/40/598661740.db2.gz ZBGFGQCTIUVLIO-JTQLQIEISA-N -1 3 302.382 2.663 20 0 DFADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC000735978171 598661742 /nfs/dbraw/zinc/66/17/42/598661742.db2.gz ZBGFGQCTIUVLIO-JTQLQIEISA-N -1 3 302.382 2.663 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1csc2ccccc12 ZINC000738149763 598663364 /nfs/dbraw/zinc/66/33/64/598663364.db2.gz GXEBNXFLLCJKKQ-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1csc2ccccc12 ZINC000738149763 598663366 /nfs/dbraw/zinc/66/33/66/598663366.db2.gz GXEBNXFLLCJKKQ-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM Cc1noc(C)c1CCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737535890 598674523 /nfs/dbraw/zinc/67/45/23/598674523.db2.gz DMTBYIUIVSUJNZ-UHFFFAOYSA-N -1 3 318.768 2.780 20 0 DFADHM Cc1noc(C)c1CCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737535890 598674524 /nfs/dbraw/zinc/67/45/24/598674524.db2.gz DMTBYIUIVSUJNZ-UHFFFAOYSA-N -1 3 318.768 2.780 20 0 DFADHM CC[C@@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000736407555 598677721 /nfs/dbraw/zinc/67/77/21/598677721.db2.gz PJKRZNCVNDDMTP-GXSJLCMTSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736407555 598677723 /nfs/dbraw/zinc/67/77/23/598677723.db2.gz PJKRZNCVNDDMTP-GXSJLCMTSA-N -1 3 307.785 2.524 20 0 DFADHM Cc1ccccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737414767 598703090 /nfs/dbraw/zinc/70/30/90/598703090.db2.gz DWJMOFDKABANAM-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737414767 598703092 /nfs/dbraw/zinc/70/30/92/598703092.db2.gz DWJMOFDKABANAM-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CC(C)(C)/C=C\C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000735594554 598727196 /nfs/dbraw/zinc/72/71/96/598727196.db2.gz UEGCWVYLVSFLLM-SREVYHEPSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)(C)/C=C\C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000735594554 598727197 /nfs/dbraw/zinc/72/71/97/598727197.db2.gz UEGCWVYLVSFLLM-SREVYHEPSA-N -1 3 304.325 2.651 20 0 DFADHM Cc1cc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)on1 ZINC000737263048 598746816 /nfs/dbraw/zinc/74/68/16/598746816.db2.gz AIGNCPOXIAHVSC-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM Cc1cc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)on1 ZINC000737263048 598746818 /nfs/dbraw/zinc/74/68/18/598746818.db2.gz AIGNCPOXIAHVSC-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736058452 598750452 /nfs/dbraw/zinc/75/04/52/598750452.db2.gz NEJVCNOFICLDOE-ZDUSSCGKSA-N -1 3 322.368 2.789 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736058452 598750453 /nfs/dbraw/zinc/75/04/53/598750453.db2.gz NEJVCNOFICLDOE-ZDUSSCGKSA-N -1 3 322.368 2.789 20 0 DFADHM CC(C)CN(C)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000735827517 598771119 /nfs/dbraw/zinc/77/11/19/598771119.db2.gz OGIPUAWVBMJTFH-UHFFFAOYSA-N -1 3 318.331 2.785 20 0 DFADHM CC(C)CN(C)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000735827517 598771121 /nfs/dbraw/zinc/77/11/21/598771121.db2.gz OGIPUAWVBMJTFH-UHFFFAOYSA-N -1 3 318.331 2.785 20 0 DFADHM CC[C@H](C)[C@](C)(O)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736333897 598774669 /nfs/dbraw/zinc/77/46/69/598774669.db2.gz VWOWQLMHYCOYMF-LKFCYVNXSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@H](C)[C@](C)(O)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736333897 598774671 /nfs/dbraw/zinc/77/46/71/598774671.db2.gz VWOWQLMHYCOYMF-LKFCYVNXSA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)C[C@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735762595 598784747 /nfs/dbraw/zinc/78/47/47/598784747.db2.gz YOCFGOGDOIOCKM-LBPRGKRZSA-N -1 3 302.378 2.777 20 0 DFADHM CC(C)C[C@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735762595 598784749 /nfs/dbraw/zinc/78/47/49/598784749.db2.gz YOCFGOGDOIOCKM-LBPRGKRZSA-N -1 3 302.378 2.777 20 0 DFADHM CC(C)CN(CC1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827054 598795032 /nfs/dbraw/zinc/79/50/32/598795032.db2.gz BQRPPEMWBUSSOE-UHFFFAOYSA-N -1 3 315.421 2.756 20 0 DFADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000736214779 598815418 /nfs/dbraw/zinc/81/54/18/598815418.db2.gz UZLZYRMHLIKHJB-CQSZACIVSA-N -1 3 306.373 2.849 20 0 DFADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000736214779 598815420 /nfs/dbraw/zinc/81/54/20/598815420.db2.gz UZLZYRMHLIKHJB-CQSZACIVSA-N -1 3 306.373 2.849 20 0 DFADHM CC(C)n1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000736138512 598816138 /nfs/dbraw/zinc/81/61/38/598816138.db2.gz NDWXBFONBKXRRO-SNVBAGLBSA-N -1 3 315.356 2.956 20 0 DFADHM Cc1cc(NCCOc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000737280535 599330099 /nfs/dbraw/zinc/33/00/99/599330099.db2.gz LUYUGLOGIKJMBU-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1cc(NCCOc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000737280535 599330102 /nfs/dbraw/zinc/33/01/02/599330102.db2.gz LUYUGLOGIKJMBU-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CSC[C@H]1CCCOC1 ZINC000821749481 607370036 /nfs/dbraw/zinc/37/00/36/607370036.db2.gz NXKTWKBEOXSIMH-NSHDSACASA-N -1 3 320.418 2.535 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSC[C@H]1CCCOC1 ZINC000821749481 607370038 /nfs/dbraw/zinc/37/00/38/607370038.db2.gz NXKTWKBEOXSIMH-NSHDSACASA-N -1 3 320.418 2.535 20 0 DFADHM CC(C)n1ccnc1CSc1ccccc1-c1nnn[n-]1 ZINC000820214444 599349247 /nfs/dbraw/zinc/34/92/47/599349247.db2.gz BQAMZHCNAXGDEA-UHFFFAOYSA-N -1 3 300.391 2.936 20 0 DFADHM CC(C)n1ccnc1CSc1ccccc1-c1nn[n-]n1 ZINC000820214444 599349250 /nfs/dbraw/zinc/34/92/50/599349250.db2.gz BQAMZHCNAXGDEA-UHFFFAOYSA-N -1 3 300.391 2.936 20 0 DFADHM CC(C)c1nccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820206429 599356626 /nfs/dbraw/zinc/35/66/26/599356626.db2.gz KDLWCUKDAVWFGZ-NSHDSACASA-N -1 3 309.377 2.953 20 0 DFADHM CC(C)c1nccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820206429 599356628 /nfs/dbraw/zinc/35/66/28/599356628.db2.gz KDLWCUKDAVWFGZ-NSHDSACASA-N -1 3 309.377 2.953 20 0 DFADHM Clc1ccc(N2CCC3(C2)CCOCC3)c(-c2nnn[n-]2)c1 ZINC000822574378 599358076 /nfs/dbraw/zinc/35/80/76/599358076.db2.gz TXGAUUKXDXTDOH-UHFFFAOYSA-N -1 3 319.796 2.527 20 0 DFADHM Clc1ccc(N2CCC3(C2)CCOCC3)c(-c2nn[n-]n2)c1 ZINC000822574378 599358077 /nfs/dbraw/zinc/35/80/77/599358077.db2.gz TXGAUUKXDXTDOH-UHFFFAOYSA-N -1 3 319.796 2.527 20 0 DFADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nccs1 ZINC000820412986 599374564 /nfs/dbraw/zinc/37/45/64/599374564.db2.gz NUINCTXZZQYDMU-NXEZZACHSA-N -1 3 300.391 2.735 20 0 DFADHM Cc1cc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)c(C)s1 ZINC000822191745 599399507 /nfs/dbraw/zinc/39/95/07/599399507.db2.gz PMGHIZHIWNYISI-SECBINFHSA-N -1 3 303.391 2.989 20 0 DFADHM Cc1occc1CN(C)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737556711 599416616 /nfs/dbraw/zinc/41/66/16/599416616.db2.gz MZFYEWKRWQCPHT-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1occc1CN(C)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737556711 599416619 /nfs/dbraw/zinc/41/66/19/599416619.db2.gz MZFYEWKRWQCPHT-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1occc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737556031 599416986 /nfs/dbraw/zinc/41/69/86/599416986.db2.gz CQVYRLCZMKKMOP-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1occc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737556031 599416988 /nfs/dbraw/zinc/41/69/88/599416988.db2.gz CQVYRLCZMKKMOP-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1noc(C)c1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737537356 599419138 /nfs/dbraw/zinc/41/91/38/599419138.db2.gz OHXCWJFHELSYHP-UHFFFAOYSA-N -1 3 321.344 2.632 20 0 DFADHM Cc1noc(C)c1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737537356 599419139 /nfs/dbraw/zinc/41/91/39/599419139.db2.gz OHXCWJFHELSYHP-UHFFFAOYSA-N -1 3 321.344 2.632 20 0 DFADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000820920120 599423322 /nfs/dbraw/zinc/42/33/22/599423322.db2.gz LGTMVHSPYHOPRP-BXUZGUMPSA-N -1 3 316.409 2.662 20 0 DFADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000820920120 599423323 /nfs/dbraw/zinc/42/33/23/599423323.db2.gz LGTMVHSPYHOPRP-BXUZGUMPSA-N -1 3 316.409 2.662 20 0 DFADHM CCC[C@@H](CC)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821014180 599425126 /nfs/dbraw/zinc/42/51/26/599425126.db2.gz BPYZIYUXKAMRIC-SMDDNHRTSA-N -1 3 316.409 2.806 20 0 DFADHM CCC[C@@H](CC)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821014180 599425129 /nfs/dbraw/zinc/42/51/29/599425129.db2.gz BPYZIYUXKAMRIC-SMDDNHRTSA-N -1 3 316.409 2.806 20 0 DFADHM CCC[C@H](CC)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821014091 599425353 /nfs/dbraw/zinc/42/53/53/599425353.db2.gz BPYZIYUXKAMRIC-FZMZJTMJSA-N -1 3 316.409 2.806 20 0 DFADHM CCC[C@H](CC)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821014091 599425355 /nfs/dbraw/zinc/42/53/55/599425355.db2.gz BPYZIYUXKAMRIC-FZMZJTMJSA-N -1 3 316.409 2.806 20 0 DFADHM Cc1c2ccccc2oc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000822027814 599440144 /nfs/dbraw/zinc/44/01/44/599440144.db2.gz JOTNFGAXDXSIJN-UHFFFAOYSA-N -1 3 309.329 2.804 20 0 DFADHM Cc1c2ccccc2oc1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000822027814 599440145 /nfs/dbraw/zinc/44/01/45/599440145.db2.gz JOTNFGAXDXSIJN-UHFFFAOYSA-N -1 3 309.329 2.804 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCCNc1ccccc1 ZINC000737639746 599441615 /nfs/dbraw/zinc/44/16/15/599441615.db2.gz RXXQBKAZJBUFJM-UHFFFAOYSA-N -1 3 316.315 2.669 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCCNc1ccccc1 ZINC000737639746 599441617 /nfs/dbraw/zinc/44/16/17/599441617.db2.gz RXXQBKAZJBUFJM-UHFFFAOYSA-N -1 3 316.315 2.669 20 0 DFADHM Fc1ccc(NC[C@@H]2CC2(Cl)Cl)c(-c2nnn[n-]2)c1 ZINC000822779263 599466427 /nfs/dbraw/zinc/46/64/27/599466427.db2.gz SQODJFFYAHQKCR-LURJTMIESA-N -1 3 302.140 2.612 20 0 DFADHM Fc1ccc(NC[C@@H]2CC2(Cl)Cl)c(-c2nn[n-]n2)c1 ZINC000822779263 599466428 /nfs/dbraw/zinc/46/64/28/599466428.db2.gz SQODJFFYAHQKCR-LURJTMIESA-N -1 3 302.140 2.612 20 0 DFADHM Fc1ccc(NCCOC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000822779275 599498963 /nfs/dbraw/zinc/49/89/63/599498963.db2.gz UAKURTGUQAGDOE-UHFFFAOYSA-N -1 3 305.357 2.767 20 0 DFADHM Fc1ccc(NCCOC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000822779275 599498966 /nfs/dbraw/zinc/49/89/66/599498966.db2.gz UAKURTGUQAGDOE-UHFFFAOYSA-N -1 3 305.357 2.767 20 0 DFADHM Oc1cccc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823733326 599504640 /nfs/dbraw/zinc/50/46/40/599504640.db2.gz UGBZFYPNZVLIEQ-UHFFFAOYSA-N -1 3 315.764 2.880 20 0 DFADHM Oc1cccc(CCNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823733326 599504642 /nfs/dbraw/zinc/50/46/42/599504642.db2.gz UGBZFYPNZVLIEQ-UHFFFAOYSA-N -1 3 315.764 2.880 20 0 DFADHM C[C@@H](NC(=O)CCC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820323899 599521051 /nfs/dbraw/zinc/52/10/51/599521051.db2.gz ZZZJYAYIMDVGRK-LLVKDONJSA-N -1 3 301.394 2.870 20 0 DFADHM C[C@@H](NC(=O)CCC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820323899 599521053 /nfs/dbraw/zinc/52/10/53/599521053.db2.gz ZZZJYAYIMDVGRK-LLVKDONJSA-N -1 3 301.394 2.870 20 0 DFADHM Cc1ccc([C@@H](C)CNc2nnc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000737319869 599528319 /nfs/dbraw/zinc/52/83/19/599528319.db2.gz GWYSIUXBOHFNOT-NSHDSACASA-N -1 3 323.404 2.798 20 0 DFADHM Cc1ccc([C@@H](C)CNc2nnc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000737319869 599528320 /nfs/dbraw/zinc/52/83/20/599528320.db2.gz GWYSIUXBOHFNOT-NSHDSACASA-N -1 3 323.404 2.798 20 0 DFADHM CC(C)n1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000735966205 599532348 /nfs/dbraw/zinc/53/23/48/599532348.db2.gz OWCQQWSHQUSKSS-UHFFFAOYSA-N -1 3 317.784 2.910 20 0 DFADHM CC(C)n1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000735966205 599532350 /nfs/dbraw/zinc/53/23/50/599532350.db2.gz OWCQQWSHQUSKSS-UHFFFAOYSA-N -1 3 317.784 2.910 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735572142 599538783 /nfs/dbraw/zinc/53/87/83/599538783.db2.gz RZQUDYOSZUVORB-VIFPVBQESA-N -1 3 300.343 2.637 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735572142 599538788 /nfs/dbraw/zinc/53/87/88/599538788.db2.gz RZQUDYOSZUVORB-VIFPVBQESA-N -1 3 300.343 2.637 20 0 DFADHM CC[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000820995620 599549380 /nfs/dbraw/zinc/54/93/80/599549380.db2.gz VCESJJDPWBCWTE-ZJUUUORDSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000820995620 599549381 /nfs/dbraw/zinc/54/93/81/599549381.db2.gz VCESJJDPWBCWTE-ZJUUUORDSA-N -1 3 307.785 2.524 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000820709160 599549784 /nfs/dbraw/zinc/54/97/84/599549784.db2.gz DZVICFKJCSGUQX-MNOVXSKESA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000820709160 599549786 /nfs/dbraw/zinc/54/97/86/599549786.db2.gz DZVICFKJCSGUQX-MNOVXSKESA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820686042 599557291 /nfs/dbraw/zinc/55/72/91/599557291.db2.gz WMJDHBLCNYZZMX-MNOVXSKESA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820686042 599557293 /nfs/dbraw/zinc/55/72/93/599557293.db2.gz WMJDHBLCNYZZMX-MNOVXSKESA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820684812 599557337 /nfs/dbraw/zinc/55/73/37/599557337.db2.gz SFYXFVBJCBCXOR-GHMZBOCLSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820684812 599557339 /nfs/dbraw/zinc/55/73/39/599557339.db2.gz SFYXFVBJCBCXOR-GHMZBOCLSA-N -1 3 300.366 2.519 20 0 DFADHM CC(C)(C)C[C@@H](O)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000819906096 599560374 /nfs/dbraw/zinc/56/03/74/599560374.db2.gz CNMBFRHCVGJDMB-SECBINFHSA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)(C)C[C@@H](O)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000819906096 599560376 /nfs/dbraw/zinc/56/03/76/599560376.db2.gz CNMBFRHCVGJDMB-SECBINFHSA-N -1 3 309.801 2.729 20 0 DFADHM Cc1nnc(NC2CCC(C)(C)CC2)c(-c2nnn[n-]2)c1C ZINC000822514803 599579534 /nfs/dbraw/zinc/57/95/34/599579534.db2.gz IMKCGJVFNVZLTD-UHFFFAOYSA-N -1 3 301.398 2.654 20 0 DFADHM Cc1nnc(NC2CCC(C)(C)CC2)c(-c2nn[n-]n2)c1C ZINC000822514803 599579536 /nfs/dbraw/zinc/57/95/36/599579536.db2.gz IMKCGJVFNVZLTD-UHFFFAOYSA-N -1 3 301.398 2.654 20 0 DFADHM C[C@H](OC(=O)[C@@H](C)c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820489105 599621337 /nfs/dbraw/zinc/62/13/37/599621337.db2.gz ZGJCPSSBOVXRKW-QWRGUYRKSA-N -1 3 312.329 2.868 20 0 DFADHM C[C@H](OC(=O)[C@@H](C)c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820489105 599621338 /nfs/dbraw/zinc/62/13/38/599621338.db2.gz ZGJCPSSBOVXRKW-QWRGUYRKSA-N -1 3 312.329 2.868 20 0 DFADHM Cc1ccc([C@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822227536 599623177 /nfs/dbraw/zinc/62/31/77/599623177.db2.gz MLBPMRNEBYFITK-NSHDSACASA-N -1 3 312.329 2.615 20 0 DFADHM Cc1ccc([C@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822227536 599623178 /nfs/dbraw/zinc/62/31/78/599623178.db2.gz MLBPMRNEBYFITK-NSHDSACASA-N -1 3 312.329 2.615 20 0 DFADHM C[C@H]1CC(OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000820649042 599625194 /nfs/dbraw/zinc/62/51/94/599625194.db2.gz HYCJXNVEESXWCG-VXGBXAGGSA-N -1 3 314.389 2.777 20 0 DFADHM C[C@H]1CC(OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000820649042 599625195 /nfs/dbraw/zinc/62/51/95/599625195.db2.gz HYCJXNVEESXWCG-VXGBXAGGSA-N -1 3 314.389 2.777 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCC(F)(F)F)s1 ZINC000821465037 599630384 /nfs/dbraw/zinc/63/03/84/599630384.db2.gz ACNJAZLSDPCFNA-UHFFFAOYSA-N -1 3 319.312 2.772 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCC(F)(F)F)s1 ZINC000821465037 599630385 /nfs/dbraw/zinc/63/03/85/599630385.db2.gz ACNJAZLSDPCFNA-UHFFFAOYSA-N -1 3 319.312 2.772 20 0 DFADHM CCC(C)(C)CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820848378 599648017 /nfs/dbraw/zinc/64/80/17/599648017.db2.gz WNDFIXLHRGNMIF-UHFFFAOYSA-N -1 3 301.394 2.651 20 0 DFADHM CCC(C)(C)CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820848378 599648018 /nfs/dbraw/zinc/64/80/18/599648018.db2.gz WNDFIXLHRGNMIF-UHFFFAOYSA-N -1 3 301.394 2.651 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820967773 599648200 /nfs/dbraw/zinc/64/82/00/599648200.db2.gz VGTFSCZSQUEANS-ZWNOBZJWSA-N -1 3 300.366 2.519 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820967773 599648201 /nfs/dbraw/zinc/64/82/01/599648201.db2.gz VGTFSCZSQUEANS-ZWNOBZJWSA-N -1 3 300.366 2.519 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820966390 599655727 /nfs/dbraw/zinc/65/57/27/599655727.db2.gz DPGJRRSYEMASLC-BZEACYEMSA-N -1 3 311.389 2.527 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820966390 599655728 /nfs/dbraw/zinc/65/57/28/599655728.db2.gz DPGJRRSYEMASLC-BZEACYEMSA-N -1 3 311.389 2.527 20 0 DFADHM CCC(C)(C)CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820848417 599673558 /nfs/dbraw/zinc/67/35/58/599673558.db2.gz XQLGSTKUKJUBRU-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CCC(C)(C)CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820848417 599673559 /nfs/dbraw/zinc/67/35/59/599673559.db2.gz XQLGSTKUKJUBRU-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CO[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000821676758 599687096 /nfs/dbraw/zinc/68/70/96/599687096.db2.gz GRLNXUKGUCETRR-NSHDSACASA-N -1 3 311.336 2.618 20 0 DFADHM CO[C@@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000821676758 599687097 /nfs/dbraw/zinc/68/70/97/599687097.db2.gz GRLNXUKGUCETRR-NSHDSACASA-N -1 3 311.336 2.618 20 0 DFADHM CO[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)C(C)(C)C ZINC000821676671 599687162 /nfs/dbraw/zinc/68/71/62/599687162.db2.gz DLWSBLHVDUSTJB-LLVKDONJSA-N -1 3 309.801 2.993 20 0 DFADHM CO[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)C(C)(C)C ZINC000821676671 599687163 /nfs/dbraw/zinc/68/71/63/599687163.db2.gz DLWSBLHVDUSTJB-LLVKDONJSA-N -1 3 309.801 2.993 20 0 DFADHM CCC(CC)(CCO)CNc1cccc(F)c1-c1nnn[n-]1 ZINC000820887804 599688467 /nfs/dbraw/zinc/68/84/67/599688467.db2.gz RQJHEBMJVOUNLW-UHFFFAOYSA-N -1 3 307.373 2.607 20 0 DFADHM CCC(CC)(CCO)CNc1cccc(F)c1-c1nn[n-]n1 ZINC000820887804 599688468 /nfs/dbraw/zinc/68/84/68/599688468.db2.gz RQJHEBMJVOUNLW-UHFFFAOYSA-N -1 3 307.373 2.607 20 0 DFADHM CCCC[C@H](C(=O)[O-])N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000736981017 599706155 /nfs/dbraw/zinc/70/61/55/599706155.db2.gz XBCCDQJIOYCLDE-MRXNPFEDSA-N -1 3 324.465 2.744 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)CN(C)CCC1CCCCC1)C(=O)[O-] ZINC000736878831 599719791 /nfs/dbraw/zinc/71/97/91/599719791.db2.gz NHDRUANGTUHNQC-BBRMVZONSA-N -1 3 312.454 2.504 20 0 DFADHM CC(C)C(=O)NC[C@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000736346955 599784016 /nfs/dbraw/zinc/78/40/16/599784016.db2.gz LGKZMEUXZWGOLG-QWHCGFSZSA-N -1 3 322.405 2.523 20 0 DFADHM CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000736346956 599784052 /nfs/dbraw/zinc/78/40/52/599784052.db2.gz LGKZMEUXZWGOLG-STQMWFEESA-N -1 3 322.405 2.523 20 0 DFADHM CC=CC=CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820832256 607397281 /nfs/dbraw/zinc/39/72/81/607397281.db2.gz IRKBYOSIDDBXQO-YTXTXJHMSA-N -1 3 313.361 2.725 20 0 DFADHM CC=CC=CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820832256 607397282 /nfs/dbraw/zinc/39/72/82/607397282.db2.gz IRKBYOSIDDBXQO-YTXTXJHMSA-N -1 3 313.361 2.725 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCSC(C)(C)C ZINC000826252053 607401180 /nfs/dbraw/zinc/40/11/80/607401180.db2.gz MLOIRHZWJUUZNV-UHFFFAOYSA-N -1 3 320.418 2.864 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCSC(C)(C)C ZINC000826252053 607401182 /nfs/dbraw/zinc/40/11/82/607401182.db2.gz MLOIRHZWJUUZNV-UHFFFAOYSA-N -1 3 320.418 2.864 20 0 DFADHM CCN(CC)CC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000737086464 599873575 /nfs/dbraw/zinc/87/35/75/599873575.db2.gz YGOCPLPLJDILJP-UHFFFAOYSA-N -1 3 320.414 2.558 20 0 DFADHM Cc1cc(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1F ZINC000826272094 607403457 /nfs/dbraw/zinc/40/34/57/607403457.db2.gz UHXKNRZMOZCJDT-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Cc1cc(OC(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1F ZINC000826272094 607403459 /nfs/dbraw/zinc/40/34/59/607403459.db2.gz UHXKNRZMOZCJDT-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCC1CCC1 ZINC000826253016 607404231 /nfs/dbraw/zinc/40/42/31/607404231.db2.gz CDLKPKBTZKRKJF-UHFFFAOYSA-N -1 3 300.362 2.799 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCC1CCC1 ZINC000826253016 607404232 /nfs/dbraw/zinc/40/42/32/607404232.db2.gz CDLKPKBTZKRKJF-UHFFFAOYSA-N -1 3 300.362 2.799 20 0 DFADHM CC(C)CN(C(=O)c1cccc(C(=O)[O-])c1)C1CCN(C)CC1 ZINC000736436957 600086742 /nfs/dbraw/zinc/08/67/42/600086742.db2.gz CHCJCMFCLDBODZ-UHFFFAOYSA-N -1 3 318.417 2.577 20 0 DFADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1CC12CCCC2 ZINC000826427808 607420169 /nfs/dbraw/zinc/42/01/69/607420169.db2.gz BKPKQIWZPIQGBI-CQSZACIVSA-N -1 3 323.400 2.552 20 0 DFADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1CC12CCCC2 ZINC000826427808 607420171 /nfs/dbraw/zinc/42/01/71/607420171.db2.gz BKPKQIWZPIQGBI-CQSZACIVSA-N -1 3 323.400 2.552 20 0 DFADHM CC(C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)=C1CCCC1 ZINC000824039610 607425587 /nfs/dbraw/zinc/42/55/87/607425587.db2.gz FXPPTEXNADQBTK-UHFFFAOYSA-N -1 3 323.400 2.863 20 0 DFADHM CC(C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)=C1CCCC1 ZINC000824039610 607425589 /nfs/dbraw/zinc/42/55/89/607425589.db2.gz FXPPTEXNADQBTK-UHFFFAOYSA-N -1 3 323.400 2.863 20 0 DFADHM CCCCSCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825296409 607436120 /nfs/dbraw/zinc/43/61/20/607436120.db2.gz HWRVKOZOSBYFPD-UHFFFAOYSA-N -1 3 319.434 2.753 20 0 DFADHM CCCCSCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825296409 607436122 /nfs/dbraw/zinc/43/61/22/607436122.db2.gz HWRVKOZOSBYFPD-UHFFFAOYSA-N -1 3 319.434 2.753 20 0 DFADHM CC[C@H]1CCCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000736938624 600319371 /nfs/dbraw/zinc/31/93/71/600319371.db2.gz IWFDLFBQRHUDEI-ZDUSSCGKSA-N -1 3 304.390 2.835 20 0 DFADHM CC[C@@H]1CCCN(CC(=O)N(C)c2ccccc2C(=O)[O-])CC1 ZINC000736940481 600334279 /nfs/dbraw/zinc/33/42/79/600334279.db2.gz RRTSIBJCPSHJTH-CQSZACIVSA-N -1 3 318.417 2.860 20 0 DFADHM CCOc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825649591 607433426 /nfs/dbraw/zinc/43/34/26/607433426.db2.gz SKZNHBSUZMOIBF-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCOc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825649591 607433427 /nfs/dbraw/zinc/43/34/27/607433427.db2.gz SKZNHBSUZMOIBF-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CC[C@@H]1CCCCCN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736939893 600574267 /nfs/dbraw/zinc/57/42/67/600574267.db2.gz BTJCSGFFXQOCJS-OAHLLOKOSA-N -1 3 304.390 2.978 20 0 DFADHM C[C@H](C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)N1CCCCCC1 ZINC000736201876 600594305 /nfs/dbraw/zinc/59/43/05/600594305.db2.gz KPHPYZHPHCHRRN-ZBFHGGJFSA-N -1 3 318.417 2.535 20 0 DFADHM CN(C)CCN(C(=O)Nc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000737369399 600640871 /nfs/dbraw/zinc/64/08/71/600640871.db2.gz HKSIRXQDXRLOPM-UHFFFAOYSA-N -1 3 319.405 2.723 20 0 DFADHM CC(C)CN(CCC(=O)[O-])Cc1nnc(-c2cccc(F)c2)o1 ZINC000826876124 600820812 /nfs/dbraw/zinc/82/08/12/600820812.db2.gz SAHIBYUQXSQGSO-UHFFFAOYSA-N -1 3 321.352 2.808 20 0 DFADHM CC[C@@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)N(CC)CC ZINC000736848877 600856682 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CC(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1 ZINC000824237010 607688687 /nfs/dbraw/zinc/68/86/87/607688687.db2.gz QJDBUSHWMDMDBI-HNNXBMFYSA-N -1 3 324.388 2.712 20 0 DFADHM CC(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC000824237010 607688688 /nfs/dbraw/zinc/68/86/88/607688688.db2.gz QJDBUSHWMDMDBI-HNNXBMFYSA-N -1 3 324.388 2.712 20 0 DFADHM Cc1ncc([C@H](C)NC[C@@H](NC(=O)[O-])c2ccccc2)c(C)n1 ZINC000830804868 604378833 /nfs/dbraw/zinc/37/88/33/604378833.db2.gz OBZUOKHWSPSOBL-MEDUHNTESA-N -1 3 314.389 2.753 20 0 DFADHM Cc1ncc([C@H](C)NC[C@H](NC(=O)[O-])c2ccccc2)c(C)n1 ZINC000830804869 604378958 /nfs/dbraw/zinc/37/89/58/604378958.db2.gz OBZUOKHWSPSOBL-ZBEGNZNMSA-N -1 3 314.389 2.753 20 0 DFADHM CC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000825194617 607692089 /nfs/dbraw/zinc/69/20/89/607692089.db2.gz RJWNDMSAJBSCPE-CYBMUJFWSA-N -1 3 313.405 2.827 20 0 DFADHM CC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825194617 607692091 /nfs/dbraw/zinc/69/20/91/607692091.db2.gz RJWNDMSAJBSCPE-CYBMUJFWSA-N -1 3 313.405 2.827 20 0 DFADHM C/C(=C\C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1)C(=O)[O-] ZINC000833382119 604474386 /nfs/dbraw/zinc/47/43/86/604474386.db2.gz GZKCJPWFIGOBID-BRADTZPFSA-N -1 3 312.373 2.640 20 0 DFADHM C/C(=C\C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1)C(=O)[O-] ZINC000833382119 604474388 /nfs/dbraw/zinc/47/43/88/604474388.db2.gz GZKCJPWFIGOBID-BRADTZPFSA-N -1 3 312.373 2.640 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CC1(C)C ZINC000825314266 607694825 /nfs/dbraw/zinc/69/48/25/607694825.db2.gz ZYSRBHKGTCWXHB-AWEZNQCLSA-N -1 3 313.405 2.651 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CC1(C)C ZINC000825314266 607694827 /nfs/dbraw/zinc/69/48/27/607694827.db2.gz ZYSRBHKGTCWXHB-AWEZNQCLSA-N -1 3 313.405 2.651 20 0 DFADHM C[C@H]1CCC[C@H](C)N1C(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC000833611146 604480572 /nfs/dbraw/zinc/48/05/72/604480572.db2.gz MRBZVGSYYZCWED-KBPBESRZSA-N -1 3 310.438 2.543 20 0 DFADHM O=C([O-])N1CCC(CNCc2coc(-c3cccs3)n2)CC1 ZINC000831883441 604505302 /nfs/dbraw/zinc/50/53/02/604505302.db2.gz QVHPATBYWYGVJU-UHFFFAOYSA-N -1 3 321.402 2.883 20 0 DFADHM CC(C)COC[C@H](NCC1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000824275653 604505404 /nfs/dbraw/zinc/50/54/04/604505404.db2.gz ILRAJLCSFZZJLO-HNNXBMFYSA-N -1 3 324.421 2.973 20 0 DFADHM CC(C)(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1 ZINC000824072544 607700352 /nfs/dbraw/zinc/70/03/52/607700352.db2.gz WXQQORAWGXAIMK-AWEZNQCLSA-N -1 3 324.388 2.712 20 0 DFADHM CC(C)(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC000824072544 607700354 /nfs/dbraw/zinc/70/03/54/607700354.db2.gz WXQQORAWGXAIMK-AWEZNQCLSA-N -1 3 324.388 2.712 20 0 DFADHM COc1cccc(F)c1[C@H](C)NCC1CCN(C(=O)[O-])CC1 ZINC000829565247 604516377 /nfs/dbraw/zinc/51/63/77/604516377.db2.gz SSVHPNPXPHPTHN-NSHDSACASA-N -1 3 310.369 2.875 20 0 DFADHM O=C(OCCCCC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000826463652 607698953 /nfs/dbraw/zinc/69/89/53/607698953.db2.gz ODBQANWFACKDGP-UHFFFAOYSA-N -1 3 314.267 2.756 20 0 DFADHM O=C(OCCCCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000826463652 607698954 /nfs/dbraw/zinc/69/89/54/607698954.db2.gz ODBQANWFACKDGP-UHFFFAOYSA-N -1 3 314.267 2.756 20 0 DFADHM CCN(C(=O)[C@@H]1CC1(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367773 607705479 /nfs/dbraw/zinc/70/54/79/607705479.db2.gz WFYBJLZRVOKTJA-FZMZJTMJSA-N -1 3 313.405 2.822 20 0 DFADHM CCN(C(=O)[C@@H]1CC1(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367773 607705480 /nfs/dbraw/zinc/70/54/80/607705480.db2.gz WFYBJLZRVOKTJA-FZMZJTMJSA-N -1 3 313.405 2.822 20 0 DFADHM C[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000235362057 604670595 /nfs/dbraw/zinc/67/05/95/604670595.db2.gz FZAGSTSUJRGEGC-LDYMZIIASA-N -1 3 305.271 2.997 20 0 DFADHM C[C@@]1(C(=O)[O-])CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000833554558 604674744 /nfs/dbraw/zinc/67/47/44/604674744.db2.gz ZGVFDDOOGMFLMS-MRXNPFEDSA-N -1 3 321.327 2.652 20 0 DFADHM COc1cccc(CN2CC[C@@](C)(C(=O)[O-])C2)c1OC(F)F ZINC000833735797 604678983 /nfs/dbraw/zinc/67/89/83/604678983.db2.gz WLXXBQOUDQPBNF-OAHLLOKOSA-N -1 3 315.316 2.593 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2cccc(F)c21 ZINC000826245908 607710420 /nfs/dbraw/zinc/71/04/20/607710420.db2.gz LVGNZQUKEVFUDF-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2cccc(F)c21 ZINC000826245908 607710422 /nfs/dbraw/zinc/71/04/22/607710422.db2.gz LVGNZQUKEVFUDF-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM COc1ccccc1[C@@H](CN[C@H](C)c1cncs1)NC(=O)[O-] ZINC000829597656 604759973 /nfs/dbraw/zinc/75/99/73/604759973.db2.gz JRJHBMWKKRGGAX-ZYHUDNBSSA-N -1 3 321.402 2.811 20 0 DFADHM C/C(=C/CN1CC=C(c2ccc3c(c2)OCCO3)CC1)C(=O)[O-] ZINC000833383223 604850637 /nfs/dbraw/zinc/85/06/37/604850637.db2.gz MZERQFFDHCQRHN-PQMHYQBVSA-N -1 3 315.369 2.578 20 0 DFADHM Cc1c([C@@H](C)NCCNC(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000829859632 604909934 /nfs/dbraw/zinc/90/99/34/604909934.db2.gz PBOFBKGRNAEDPR-SNVBAGLBSA-N -1 3 322.796 2.752 20 0 DFADHM Cc1nc(Cc2ccccc2)sc1[C@H](C)NCCNC(=O)[O-] ZINC000830762368 604912529 /nfs/dbraw/zinc/91/25/29/604912529.db2.gz ZKTBZRLVSMAZBU-NSHDSACASA-N -1 3 319.430 2.961 20 0 DFADHM CCN(CCN[C@H](C)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000827150960 604957941 /nfs/dbraw/zinc/95/79/41/604957941.db2.gz PUBDGTMMERQNLM-CQSZACIVSA-N -1 3 316.405 2.582 20 0 DFADHM C[C@H](NCCCNC(=O)[O-])c1ccc(F)cc1Br ZINC000825495547 604976819 /nfs/dbraw/zinc/97/68/19/604976819.db2.gz GUOQOAQCJUUGEI-QMMMGPOBSA-N -1 3 319.174 2.897 20 0 DFADHM O=C([O-])NCCCN[C@H]1COc2c1ccc(Cl)c2Cl ZINC000832616702 604976894 /nfs/dbraw/zinc/97/68/94/604976894.db2.gz JABFNEPKJHPKJT-VIFPVBQESA-N -1 3 305.161 2.674 20 0 DFADHM Fc1cccnc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000826378536 607730635 /nfs/dbraw/zinc/73/06/35/607730635.db2.gz OWIYHTLOSYNQTI-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1cccnc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000826378536 607730637 /nfs/dbraw/zinc/73/06/37/607730637.db2.gz OWIYHTLOSYNQTI-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000833545944 605054390 /nfs/dbraw/zinc/05/43/90/605054390.db2.gz CKEPUAUKVFHCCG-CHWSQXEVSA-N -1 3 323.389 2.556 20 0 DFADHM CC(C)(CC(=O)[O-])NCc1coc(-c2c(F)cccc2F)n1 ZINC000833456263 605076525 /nfs/dbraw/zinc/07/65/25/605076525.db2.gz QGSQFZXPUBJMOQ-UHFFFAOYSA-N -1 3 310.300 2.963 20 0 DFADHM O=C([O-])c1occc1CNCc1cccc(Cn2cccn2)c1 ZINC000833785246 605083810 /nfs/dbraw/zinc/08/38/10/605083810.db2.gz LTAKCUUIUQJFSW-UHFFFAOYSA-N -1 3 311.341 2.512 20 0 DFADHM CC(C)(C)c1cn2c(n1)CC[C@H](NCc1ccc(C(=O)[O-])o1)C2 ZINC000833449625 605088810 /nfs/dbraw/zinc/08/88/10/605088810.db2.gz OOYNPDKEJJDUCL-NSHDSACASA-N -1 3 317.389 2.576 20 0 DFADHM CC(C)(C)c1cn2c(n1)CC[C@@H](NCc1ccc(C(=O)[O-])o1)C2 ZINC000833449624 605088947 /nfs/dbraw/zinc/08/89/47/605088947.db2.gz OOYNPDKEJJDUCL-LLVKDONJSA-N -1 3 317.389 2.576 20 0 DFADHM CC(C)n1cc([C@H](C)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])cn1 ZINC000825484493 605101672 /nfs/dbraw/zinc/10/16/72/605101672.db2.gz ILFHJUSFQCOPMO-SCRDCRAPSA-N -1 3 324.425 2.618 20 0 DFADHM CN(CC(C)(C)O)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833691939 605129609 /nfs/dbraw/zinc/12/96/09/605129609.db2.gz IBMGHDMPDLQGAM-LLVKDONJSA-N -1 3 306.189 2.822 20 0 DFADHM C[C@H](O)[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000833529940 605134334 /nfs/dbraw/zinc/13/43/34/605134334.db2.gz TYYOMSWTSVBCHS-RWEMILLDSA-N -1 3 318.200 2.822 20 0 DFADHM Cc1ccc([C@@H](CNCc2ccoc2C(=O)[O-])N2CCCC2)o1 ZINC000833748989 605236413 /nfs/dbraw/zinc/23/64/13/605236413.db2.gz JRLCWASKBZOWEU-CQSZACIVSA-N -1 3 318.373 2.806 20 0 DFADHM C[C@@]1(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)CCCO1 ZINC000833565892 605361462 /nfs/dbraw/zinc/36/14/62/605361462.db2.gz JMYIKPPXYWXHMI-JSGCOSHPSA-N -1 3 301.745 2.764 20 0 DFADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000833816353 605602828 /nfs/dbraw/zinc/60/28/28/605602828.db2.gz ZFRSIGACCOOBID-RYUDHWBXSA-N -1 3 308.426 2.575 20 0 DFADHM O=C([O-])Nc1cccc(CN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000834269152 605603522 /nfs/dbraw/zinc/60/35/22/605603522.db2.gz QSSDCWHHNGBRSD-MRXNPFEDSA-N -1 3 313.357 2.825 20 0 DFADHM O=C([O-])NC[C@@H]1CCC[C@H]1NCc1nc(C(F)(F)F)cs1 ZINC000834215911 605618888 /nfs/dbraw/zinc/61/88/88/605618888.db2.gz QWBUGKVBFBYQLM-JGVFFNPUSA-N -1 3 323.340 2.688 20 0 DFADHM O=C([O-])NCCN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000834239143 605671955 /nfs/dbraw/zinc/67/19/55/605671955.db2.gz DXJOEPWRFIJDAU-NSHDSACASA-N -1 3 305.403 2.743 20 0 DFADHM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000833834394 605685154 /nfs/dbraw/zinc/68/51/54/605685154.db2.gz OAWODDMYLWZYPR-OLZOCXBDSA-N -1 3 314.389 2.555 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)O1 ZINC000833583233 605702728 /nfs/dbraw/zinc/70/27/28/605702728.db2.gz IOWCJHLICOJUNH-INTQDDNPSA-N -1 3 307.312 2.797 20 0 DFADHM O=C([O-])N1CC[C@H](N(C[C@@H](O)c2cccc(Cl)c2)C2CC2)C1 ZINC000834082111 605776082 /nfs/dbraw/zinc/77/60/82/605776082.db2.gz IFXDRSBZHMBCKE-LSDHHAIUSA-N -1 3 324.808 2.590 20 0 DFADHM O=C([O-])N[C@@H](CN[C@H]1CCCOc2ccc(F)cc21)C1CC1 ZINC000834150791 605855527 /nfs/dbraw/zinc/85/55/27/605855527.db2.gz PAYHWZCANGENQO-KBPBESRZSA-N -1 3 308.353 2.675 20 0 DFADHM CN(Cc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000821607199 606024368 /nfs/dbraw/zinc/02/43/68/606024368.db2.gz CRTDOGHFNBILRY-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000821607199 606024373 /nfs/dbraw/zinc/02/43/73/606024373.db2.gz CRTDOGHFNBILRY-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM COc1ccc(C)cc1[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821782838 606029519 /nfs/dbraw/zinc/02/95/19/606029519.db2.gz PLKSKZFRCFJMKH-NSHDSACASA-N -1 3 310.361 2.752 20 0 DFADHM COc1ccc(C)cc1[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821782838 606029524 /nfs/dbraw/zinc/02/95/24/606029524.db2.gz PLKSKZFRCFJMKH-NSHDSACASA-N -1 3 310.361 2.752 20 0 DFADHM O=C([O-])N1CCC[C@H](NCc2coc(-c3ccccc3)n2)CC1 ZINC000834103268 606043345 /nfs/dbraw/zinc/04/33/45/606043345.db2.gz HDLYSIVQZDVLPV-AWEZNQCLSA-N -1 3 315.373 2.964 20 0 DFADHM CN(Cc1nccs1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821618085 606043845 /nfs/dbraw/zinc/04/38/45/606043845.db2.gz PQZWJOZCBWXIFE-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CN(Cc1nccs1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821618085 606043851 /nfs/dbraw/zinc/04/38/51/606043851.db2.gz PQZWJOZCBWXIFE-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CC(C)Oc1cccc(CNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000820178239 606047884 /nfs/dbraw/zinc/04/78/84/606047884.db2.gz MJCIVAJLARTKOR-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)Oc1cccc(CNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000820178239 606047889 /nfs/dbraw/zinc/04/78/89/606047889.db2.gz MJCIVAJLARTKOR-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM Cc1ccccc1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC000822351610 606052377 /nfs/dbraw/zinc/05/23/77/606052377.db2.gz PJJQDJDJGDYIJZ-INIZCTEOSA-N -1 3 306.373 2.912 20 0 DFADHM Cc1ccccc1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC000822351610 606052382 /nfs/dbraw/zinc/05/23/82/606052382.db2.gz PJJQDJDJGDYIJZ-INIZCTEOSA-N -1 3 306.373 2.912 20 0 DFADHM Cc1ccc(C(C)(C)CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822227285 606069472 /nfs/dbraw/zinc/06/94/72/606069472.db2.gz CAVFMQZBJORALE-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1ccc(C(C)(C)CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822227285 606069478 /nfs/dbraw/zinc/06/94/78/606069478.db2.gz CAVFMQZBJORALE-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000819908267 606085254 /nfs/dbraw/zinc/08/52/54/606085254.db2.gz YPFNXEGHXILLCE-RISCZKNCSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000819908267 606085257 /nfs/dbraw/zinc/08/52/57/606085257.db2.gz YPFNXEGHXILLCE-RISCZKNCSA-N -1 3 316.409 2.515 20 0 DFADHM C[C@]1(c2ccccc2)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820636018 606086873 /nfs/dbraw/zinc/08/68/73/606086873.db2.gz ORJRIHIIEPWUTG-SFHVURJKSA-N -1 3 320.400 2.820 20 0 DFADHM C[C@]1(c2ccccc2)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820636018 606086877 /nfs/dbraw/zinc/08/68/77/606086877.db2.gz ORJRIHIIEPWUTG-SFHVURJKSA-N -1 3 320.400 2.820 20 0 DFADHM CC(C)(C)[C@@H](NCc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000819897942 606087751 /nfs/dbraw/zinc/08/77/51/606087751.db2.gz BCBUBFQKRRWEAC-GFCCVEGCSA-N -1 3 313.327 2.933 20 0 DFADHM CC(C)(C)[C@@H](NCc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000819897942 606087755 /nfs/dbraw/zinc/08/77/55/606087755.db2.gz BCBUBFQKRRWEAC-GFCCVEGCSA-N -1 3 313.327 2.933 20 0 DFADHM CSCCCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821961208 606087996 /nfs/dbraw/zinc/08/79/96/606087996.db2.gz HWLIHFDSZBDGLX-UHFFFAOYSA-N -1 3 314.418 2.970 20 0 DFADHM CSCCCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821961208 606088000 /nfs/dbraw/zinc/08/80/00/606088000.db2.gz HWLIHFDSZBDGLX-UHFFFAOYSA-N -1 3 314.418 2.970 20 0 DFADHM Cc1cnc([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)s1 ZINC000822389055 606103786 /nfs/dbraw/zinc/10/37/86/606103786.db2.gz JUHVGNXNWHTSQU-QMMMGPOBSA-N -1 3 304.354 2.944 20 0 DFADHM Cc1cnc([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)s1 ZINC000822389055 606103788 /nfs/dbraw/zinc/10/37/88/606103788.db2.gz JUHVGNXNWHTSQU-QMMMGPOBSA-N -1 3 304.354 2.944 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000822737424 606106213 /nfs/dbraw/zinc/10/62/13/606106213.db2.gz VAPYOIQIYXXXOR-AOOOYVTPSA-N -1 3 305.332 2.771 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000822737424 606106214 /nfs/dbraw/zinc/10/62/14/606106214.db2.gz VAPYOIQIYXXXOR-AOOOYVTPSA-N -1 3 305.332 2.771 20 0 DFADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000820643139 606138564 /nfs/dbraw/zinc/13/85/64/606138564.db2.gz QSNAEJIFBXCKOL-DZGCQCFKSA-N -1 3 320.400 2.719 20 0 DFADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000820643139 606138566 /nfs/dbraw/zinc/13/85/66/606138566.db2.gz QSNAEJIFBXCKOL-DZGCQCFKSA-N -1 3 320.400 2.719 20 0 DFADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000820643141 606138818 /nfs/dbraw/zinc/13/88/18/606138818.db2.gz QSNAEJIFBXCKOL-UKRRQHHQSA-N -1 3 320.400 2.719 20 0 DFADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000820643141 606138819 /nfs/dbraw/zinc/13/88/19/606138819.db2.gz QSNAEJIFBXCKOL-UKRRQHHQSA-N -1 3 320.400 2.719 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc2[nH]ccc21 ZINC000823337687 606152609 /nfs/dbraw/zinc/15/26/09/606152609.db2.gz QIHJHEOFEBYBHY-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc2[nH]ccc21 ZINC000823337687 606152612 /nfs/dbraw/zinc/15/26/12/606152612.db2.gz QIHJHEOFEBYBHY-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM Cc1ccc(C)c([S@](=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822231852 606156094 /nfs/dbraw/zinc/15/60/94/606156094.db2.gz JNWDYVDCFIRLGT-JOCHJYFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1ccc(C)c([S@](=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822231852 606156096 /nfs/dbraw/zinc/15/60/96/606156096.db2.gz JNWDYVDCFIRLGT-JOCHJYFZSA-N -1 3 312.398 2.791 20 0 DFADHM CCc1cnc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821496164 606159356 /nfs/dbraw/zinc/15/93/56/606159356.db2.gz DFEZIPFWYFMSGW-UHFFFAOYSA-N -1 3 314.418 2.518 20 0 DFADHM CCc1cnc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821496164 606159358 /nfs/dbraw/zinc/15/93/58/606159358.db2.gz DFEZIPFWYFMSGW-UHFFFAOYSA-N -1 3 314.418 2.518 20 0 DFADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CC12CCCC2 ZINC000823413354 606168489 /nfs/dbraw/zinc/16/84/89/606168489.db2.gz FXIJEXGYZVGRJF-GFCCVEGCSA-N -1 3 316.336 2.629 20 0 DFADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CC12CCCC2 ZINC000823413354 606168490 /nfs/dbraw/zinc/16/84/90/606168490.db2.gz FXIJEXGYZVGRJF-GFCCVEGCSA-N -1 3 316.336 2.629 20 0 DFADHM Cc1cnc(C(C)(C)NCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822389517 606206186 /nfs/dbraw/zinc/20/61/86/606206186.db2.gz ZKZUAHFKKFYCQT-UHFFFAOYSA-N -1 3 314.418 2.657 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1nc(C)nc2[nH]ccc21 ZINC000822453258 606216551 /nfs/dbraw/zinc/21/65/51/606216551.db2.gz GJQIKQUGUOVYMS-UHFFFAOYSA-N -1 3 307.317 2.547 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nc(C)nc2[nH]ccc21 ZINC000822453258 606216553 /nfs/dbraw/zinc/21/65/53/606216553.db2.gz GJQIKQUGUOVYMS-UHFFFAOYSA-N -1 3 307.317 2.547 20 0 DFADHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1ncccc1-c1nnn[n-]1 ZINC000820643125 606232719 /nfs/dbraw/zinc/23/27/19/606232719.db2.gz QIHLGZWSJSXCRV-OCCSQVGLSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1ncccc1-c1nn[n-]n1 ZINC000820643125 606232720 /nfs/dbraw/zinc/23/27/20/606232720.db2.gz QIHLGZWSJSXCRV-OCCSQVGLSA-N -1 3 306.373 2.644 20 0 DFADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819906087 606253673 /nfs/dbraw/zinc/25/36/73/606253673.db2.gz CKVGKLMBUUXXAS-NWDGAFQWSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819906087 606253675 /nfs/dbraw/zinc/25/36/75/606253675.db2.gz CKVGKLMBUUXXAS-NWDGAFQWSA-N -1 3 316.409 2.530 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc2cc[nH]c2c1 ZINC000823347346 606266228 /nfs/dbraw/zinc/26/62/28/606266228.db2.gz WJDZVDJTGINNEQ-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc2cc[nH]c2c1 ZINC000823347346 606266229 /nfs/dbraw/zinc/26/62/29/606266229.db2.gz WJDZVDJTGINNEQ-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820072865 606269353 /nfs/dbraw/zinc/26/93/53/606269353.db2.gz MFEBIDXWEQYPRD-DGCLKSJQSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820072865 606269354 /nfs/dbraw/zinc/26/93/54/606269354.db2.gz MFEBIDXWEQYPRD-DGCLKSJQSA-N -1 3 316.409 2.530 20 0 DFADHM O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823332727 606313207 /nfs/dbraw/zinc/31/32/07/606313207.db2.gz PZDQABDUPRMZCU-UHFFFAOYSA-N -1 3 323.143 2.754 20 0 DFADHM O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823332727 606313208 /nfs/dbraw/zinc/31/32/08/606313208.db2.gz PZDQABDUPRMZCU-UHFFFAOYSA-N -1 3 323.143 2.754 20 0 DFADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCc2c(F)cccc21 ZINC000823488514 606326106 /nfs/dbraw/zinc/32/61/06/606326106.db2.gz PBGOZTQAIXBQEK-UHFFFAOYSA-N -1 3 323.331 2.599 20 0 DFADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCc2c(F)cccc21 ZINC000823488514 606326107 /nfs/dbraw/zinc/32/61/07/606326107.db2.gz PBGOZTQAIXBQEK-UHFFFAOYSA-N -1 3 323.331 2.599 20 0 DFADHM COC(=O)c1ccoc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000821671294 606329336 /nfs/dbraw/zinc/32/93/36/606329336.db2.gz PYZNPHWNXBMINF-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM COC(=O)c1ccoc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000821671294 606329338 /nfs/dbraw/zinc/32/93/38/606329338.db2.gz PYZNPHWNXBMINF-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM Cc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000822227298 606348075 /nfs/dbraw/zinc/34/80/75/606348075.db2.gz CNAXOMQZBWCCTB-LBPRGKRZSA-N -1 3 323.356 2.797 20 0 DFADHM Cc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000822227298 606348076 /nfs/dbraw/zinc/34/80/76/606348076.db2.gz CNAXOMQZBWCCTB-LBPRGKRZSA-N -1 3 323.356 2.797 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487533 606348777 /nfs/dbraw/zinc/34/87/77/606348777.db2.gz HVHSPRIBPRZFAJ-ANYFNZRUSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487533 606348778 /nfs/dbraw/zinc/34/87/78/606348778.db2.gz HVHSPRIBPRZFAJ-ANYFNZRUSA-N -1 3 310.313 2.777 20 0 DFADHM CC(C)SCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820184168 606357287 /nfs/dbraw/zinc/35/72/87/606357287.db2.gz VHEAKYRPPRXOMA-JTQLQIEISA-N -1 3 306.391 2.613 20 0 DFADHM CC(C)SCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820184168 606357288 /nfs/dbraw/zinc/35/72/88/606357288.db2.gz VHEAKYRPPRXOMA-JTQLQIEISA-N -1 3 306.391 2.613 20 0 DFADHM CCS[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000821455596 606401153 /nfs/dbraw/zinc/40/11/53/606401153.db2.gz KSKJWNVPUUFUQD-RYUDHWBXSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000821455596 606401155 /nfs/dbraw/zinc/40/11/55/606401155.db2.gz KSKJWNVPUUFUQD-RYUDHWBXSA-N -1 3 304.423 2.738 20 0 DFADHM COc1cc(NCc2ccc(-c3nnn[n-]3)s2)cc(OC)c1 ZINC000821723880 606411683 /nfs/dbraw/zinc/41/16/83/606411683.db2.gz LIPMTERQQHRGLQ-UHFFFAOYSA-N -1 3 317.374 2.558 20 0 DFADHM CN(C(=O)CC(C)(C)C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569353 606412231 /nfs/dbraw/zinc/41/22/31/606412231.db2.gz HGTGDJRNEGVSKL-UHFFFAOYSA-N -1 3 307.785 2.919 20 0 DFADHM CN(C(=O)CC(C)(C)C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569353 606412232 /nfs/dbraw/zinc/41/22/32/606412232.db2.gz HGTGDJRNEGVSKL-UHFFFAOYSA-N -1 3 307.785 2.919 20 0 DFADHM CN(C(=O)[C@@H]1CC=CCC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569407 606414200 /nfs/dbraw/zinc/41/42/00/606414200.db2.gz JCQOARIRSGYFJK-SNVBAGLBSA-N -1 3 317.780 2.839 20 0 DFADHM CN(C(=O)[C@@H]1CC=CCC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569407 606414202 /nfs/dbraw/zinc/41/42/02/606414202.db2.gz JCQOARIRSGYFJK-SNVBAGLBSA-N -1 3 317.780 2.839 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1C[C@H](C)[C@H](C)C1 ZINC000822331625 606418160 /nfs/dbraw/zinc/41/81/60/606418160.db2.gz IOMCZYWFQOYEPI-TXEJJXNPSA-N -1 3 308.389 2.816 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1C[C@H](C)[C@H](C)C1 ZINC000822331625 606418162 /nfs/dbraw/zinc/41/81/62/606418162.db2.gz IOMCZYWFQOYEPI-TXEJJXNPSA-N -1 3 308.389 2.816 20 0 DFADHM Cc1csc(C(C)(C)NCc2ccc(-c3nnn[n-]3)s2)n1 ZINC000822409390 606420391 /nfs/dbraw/zinc/42/03/91/606420391.db2.gz SGVUXPNAOAONJF-UHFFFAOYSA-N -1 3 320.447 2.718 20 0 DFADHM Cc1csc(C(C)(C)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC000822409390 606420392 /nfs/dbraw/zinc/42/03/92/606420392.db2.gz SGVUXPNAOAONJF-UHFFFAOYSA-N -1 3 320.447 2.718 20 0 DFADHM C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H]1C ZINC000820727154 606423761 /nfs/dbraw/zinc/42/37/61/606423761.db2.gz HWOMPAJIRYBESB-HTQZYQBOSA-N -1 3 312.299 2.515 20 0 DFADHM C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@@H]1C ZINC000820727154 606423764 /nfs/dbraw/zinc/42/37/64/606423764.db2.gz HWOMPAJIRYBESB-HTQZYQBOSA-N -1 3 312.299 2.515 20 0 DFADHM CC[C@@H](CNc1ncccc1-c1nnn[n-]1)Oc1ccccc1C ZINC000820907629 606427365 /nfs/dbraw/zinc/42/73/65/606427365.db2.gz FJOXMOKAAQPAQP-ZDUSSCGKSA-N -1 3 324.388 2.840 20 0 DFADHM CC[C@@H](CNc1ncccc1-c1nn[n-]n1)Oc1ccccc1C ZINC000820907629 606427368 /nfs/dbraw/zinc/42/73/68/606427368.db2.gz FJOXMOKAAQPAQP-ZDUSSCGKSA-N -1 3 324.388 2.840 20 0 DFADHM c1cn(-c2ccccc2)nc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000823773194 606449481 /nfs/dbraw/zinc/44/94/81/606449481.db2.gz RLERQTWHTJCVOB-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM c1cn(-c2ccccc2)nc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000823773194 606449483 /nfs/dbraw/zinc/44/94/83/606449483.db2.gz RLERQTWHTJCVOB-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM COc1ccc(C)cc1CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821782214 606457601 /nfs/dbraw/zinc/45/76/01/606457601.db2.gz BLLQESISTOFLTD-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(C)cc1CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821782214 606457602 /nfs/dbraw/zinc/45/76/02/606457602.db2.gz BLLQESISTOFLTD-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Fc1cccc(CNc2ccc(F)c(-c3nnn[n-]3)c2)c1F ZINC000822783145 606458169 /nfs/dbraw/zinc/45/81/69/606458169.db2.gz XHVKRYLYLSNVJK-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cccc(CNc2ccc(F)c(-c3nn[n-]n3)c2)c1F ZINC000822783145 606458170 /nfs/dbraw/zinc/45/81/70/606458170.db2.gz XHVKRYLYLSNVJK-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CN(CCc1ccncc1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821607574 606462625 /nfs/dbraw/zinc/46/26/25/606462625.db2.gz UYOUXCKQMDDILJ-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM CN(CCc1ccncc1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821607574 606462627 /nfs/dbraw/zinc/46/26/27/606462627.db2.gz UYOUXCKQMDDILJ-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)[C@@H](C)C1 ZINC000820690394 606466598 /nfs/dbraw/zinc/46/65/98/606466598.db2.gz LDNXOFMHPBSCAY-WCABBAIRSA-N -1 3 306.391 2.910 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)[C@@H](C)C1 ZINC000820690394 606466600 /nfs/dbraw/zinc/46/66/00/606466600.db2.gz LDNXOFMHPBSCAY-WCABBAIRSA-N -1 3 306.391 2.910 20 0 DFADHM CCCC[C@H](CC)CNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821039207 606474865 /nfs/dbraw/zinc/47/48/65/606474865.db2.gz BCBJYKWCLJTDSM-JTQLQIEISA-N -1 3 307.423 2.874 20 0 DFADHM CCCC[C@H](CC)CNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821039207 606474866 /nfs/dbraw/zinc/47/48/66/606474866.db2.gz BCBJYKWCLJTDSM-JTQLQIEISA-N -1 3 307.423 2.874 20 0 DFADHM CCCC[C@@H](CC)CNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821039208 606475154 /nfs/dbraw/zinc/47/51/54/606475154.db2.gz BCBJYKWCLJTDSM-SNVBAGLBSA-N -1 3 307.423 2.874 20 0 DFADHM CCCC[C@@H](CC)CNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821039208 606475156 /nfs/dbraw/zinc/47/51/56/606475156.db2.gz BCBJYKWCLJTDSM-SNVBAGLBSA-N -1 3 307.423 2.874 20 0 DFADHM Cc1cccc(C)c1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822294201 606475646 /nfs/dbraw/zinc/47/56/46/606475646.db2.gz VCVSBXIJKIBTCN-UHFFFAOYSA-N -1 3 300.343 2.764 20 0 DFADHM Cc1cccc(C)c1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822294201 606475648 /nfs/dbraw/zinc/47/56/48/606475648.db2.gz VCVSBXIJKIBTCN-UHFFFAOYSA-N -1 3 300.343 2.764 20 0 DFADHM Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(F)c1 ZINC000822254780 606477117 /nfs/dbraw/zinc/47/71/17/606477117.db2.gz QZISIHWHJGAYDA-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(F)c1 ZINC000822254780 606477119 /nfs/dbraw/zinc/47/71/19/606477119.db2.gz QZISIHWHJGAYDA-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM CCO[C@@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1(CC)CC ZINC000821357259 606477619 /nfs/dbraw/zinc/47/76/19/606477619.db2.gz BPHFTFYXKRUVJG-QWHCGFSZSA-N -1 3 316.409 2.657 20 0 DFADHM CCO[C@@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1(CC)CC ZINC000821357259 606477621 /nfs/dbraw/zinc/47/76/21/606477621.db2.gz BPHFTFYXKRUVJG-QWHCGFSZSA-N -1 3 316.409 2.657 20 0 DFADHM Cc1cc(F)ccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822205783 606480846 /nfs/dbraw/zinc/48/08/46/606480846.db2.gz IKFXAVGCMKDWRC-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cc(F)ccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822205783 606480848 /nfs/dbraw/zinc/48/08/48/606480848.db2.gz IKFXAVGCMKDWRC-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM C[C@H]1CC=CC[C@@H]1COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820678224 606488882 /nfs/dbraw/zinc/48/88/82/606488882.db2.gz UBAHLGOIRJZSIC-SWLSCSKDSA-N -1 3 312.373 2.555 20 0 DFADHM C[C@H]1CC=CC[C@@H]1COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820678224 606488884 /nfs/dbraw/zinc/48/88/84/606488884.db2.gz UBAHLGOIRJZSIC-SWLSCSKDSA-N -1 3 312.373 2.555 20 0 DFADHM CCCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H](C)CC ZINC000821061572 606491941 /nfs/dbraw/zinc/49/19/41/606491941.db2.gz QRLWXUUGOVZTLB-JTQLQIEISA-N -1 3 307.423 2.969 20 0 DFADHM CCCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H](C)CC ZINC000821061572 606491942 /nfs/dbraw/zinc/49/19/42/606491942.db2.gz QRLWXUUGOVZTLB-JTQLQIEISA-N -1 3 307.423 2.969 20 0 DFADHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820502093 606493374 /nfs/dbraw/zinc/49/33/74/606493374.db2.gz NETXEDXAYIMEPX-LBPRGKRZSA-N -1 3 308.341 2.714 20 0 DFADHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820502093 606493375 /nfs/dbraw/zinc/49/33/75/606493375.db2.gz NETXEDXAYIMEPX-LBPRGKRZSA-N -1 3 308.341 2.714 20 0 DFADHM C[C@H](c1ccccc1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563090 606494598 /nfs/dbraw/zinc/49/45/98/606494598.db2.gz NOXVUJNNBYMNKV-CYBMUJFWSA-N -1 3 321.384 2.629 20 0 DFADHM C[C@H](c1ccccc1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563090 606494599 /nfs/dbraw/zinc/49/45/99/606494599.db2.gz NOXVUJNNBYMNKV-CYBMUJFWSA-N -1 3 321.384 2.629 20 0 DFADHM CC[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820913687 606503309 /nfs/dbraw/zinc/50/33/09/606503309.db2.gz JHFATNQMFDEKHG-MRXNPFEDSA-N -1 3 321.384 2.677 20 0 DFADHM CC[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820913687 606503310 /nfs/dbraw/zinc/50/33/10/606503310.db2.gz JHFATNQMFDEKHG-MRXNPFEDSA-N -1 3 321.384 2.677 20 0 DFADHM Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822194462 606503514 /nfs/dbraw/zinc/50/35/14/606503514.db2.gz YEQGLVNNKAMBQW-LLVKDONJSA-N -1 3 311.345 2.568 20 0 DFADHM Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822194462 606503515 /nfs/dbraw/zinc/50/35/15/606503515.db2.gz YEQGLVNNKAMBQW-LLVKDONJSA-N -1 3 311.345 2.568 20 0 DFADHM Cc1cscc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822414568 606505851 /nfs/dbraw/zinc/50/58/51/606505851.db2.gz KWDIKMOMHOXKLM-UHFFFAOYSA-N -1 3 313.386 2.509 20 0 DFADHM Cc1cscc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822414568 606505853 /nfs/dbraw/zinc/50/58/53/606505853.db2.gz KWDIKMOMHOXKLM-UHFFFAOYSA-N -1 3 313.386 2.509 20 0 DFADHM CC(C)(C)[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819908279 606507333 /nfs/dbraw/zinc/50/73/33/606507333.db2.gz ZBVFGOPBBWJFBU-LLVKDONJSA-N -1 3 305.407 2.579 20 0 DFADHM CC(C)(C)[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819908279 606507332 /nfs/dbraw/zinc/50/73/32/606507332.db2.gz ZBVFGOPBBWJFBU-LLVKDONJSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820698667 606512548 /nfs/dbraw/zinc/51/25/48/606512548.db2.gz VOVSCEVUUHOGNS-WDEREUQCSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820698667 606512550 /nfs/dbraw/zinc/51/25/50/606512550.db2.gz VOVSCEVUUHOGNS-WDEREUQCSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820676840 606513932 /nfs/dbraw/zinc/51/39/32/606513932.db2.gz OMIQZAZQFSDAST-FOGDFJRCSA-N -1 3 317.418 2.721 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820676840 606513934 /nfs/dbraw/zinc/51/39/34/606513934.db2.gz OMIQZAZQFSDAST-FOGDFJRCSA-N -1 3 317.418 2.721 20 0 DFADHM CC(C)[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820038736 606514059 /nfs/dbraw/zinc/51/40/59/606514059.db2.gz QUCAENONWXBRDN-NSHDSACASA-N -1 3 305.407 2.579 20 0 DFADHM CC(C)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820038736 606514060 /nfs/dbraw/zinc/51/40/60/606514060.db2.gz QUCAENONWXBRDN-NSHDSACASA-N -1 3 305.407 2.579 20 0 DFADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC2(CCCC2)CC1 ZINC000823472387 606543737 /nfs/dbraw/zinc/54/37/37/606543737.db2.gz KNDWDDNQTLMEOI-UHFFFAOYSA-N -1 3 317.418 2.725 20 0 DFADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC2(CCCC2)CC1 ZINC000823472387 606543739 /nfs/dbraw/zinc/54/37/39/606543739.db2.gz KNDWDDNQTLMEOI-UHFFFAOYSA-N -1 3 317.418 2.725 20 0 DFADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc2[nH]ccc21 ZINC000823109052 606544639 /nfs/dbraw/zinc/54/46/39/606544639.db2.gz WMRYSOSOXHPDJE-UHFFFAOYSA-N -1 3 318.340 2.529 20 0 DFADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc2[nH]ccc21 ZINC000823109052 606544641 /nfs/dbraw/zinc/54/46/41/606544641.db2.gz WMRYSOSOXHPDJE-UHFFFAOYSA-N -1 3 318.340 2.529 20 0 DFADHM CCC(C)(CC)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820854765 606579457 /nfs/dbraw/zinc/57/94/57/606579457.db2.gz YKESDPSHGBRAHW-UHFFFAOYSA-N -1 3 306.345 2.706 20 0 DFADHM CCC(C)(CC)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820854765 606579459 /nfs/dbraw/zinc/57/94/59/606579459.db2.gz YKESDPSHGBRAHW-UHFFFAOYSA-N -1 3 306.345 2.706 20 0 DFADHM Cc1cscc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822414651 606579740 /nfs/dbraw/zinc/57/97/40/606579740.db2.gz OKOVOZFJEFTNKE-JTQLQIEISA-N -1 3 313.386 2.728 20 0 DFADHM Cc1cscc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822414651 606579741 /nfs/dbraw/zinc/57/97/41/606579741.db2.gz OKOVOZFJEFTNKE-JTQLQIEISA-N -1 3 313.386 2.728 20 0 DFADHM CC(C)C1(CNC(=S)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000820031409 606599671 /nfs/dbraw/zinc/59/96/71/606599671.db2.gz FDZWTCUWGDFGGR-UHFFFAOYSA-N -1 3 316.434 2.589 20 0 DFADHM CC(C)C1(CNC(=S)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000820031409 606599673 /nfs/dbraw/zinc/59/96/73/606599673.db2.gz FDZWTCUWGDFGGR-UHFFFAOYSA-N -1 3 316.434 2.589 20 0 DFADHM CO[C@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1(C)C ZINC000821678755 606609837 /nfs/dbraw/zinc/60/98/37/606609837.db2.gz RTOYSKHADFSEAF-NEPJUHHUSA-N -1 3 307.785 2.746 20 0 DFADHM CO[C@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1(C)C ZINC000821678755 606609839 /nfs/dbraw/zinc/60/98/39/606609839.db2.gz RTOYSKHADFSEAF-NEPJUHHUSA-N -1 3 307.785 2.746 20 0 DFADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CC(C)C1 ZINC000820648645 606618327 /nfs/dbraw/zinc/61/83/27/606618327.db2.gz DSJDBBVRWZSNRX-UHFFFAOYSA-N -1 3 313.405 2.650 20 0 DFADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CC(C)C1 ZINC000820648645 606618328 /nfs/dbraw/zinc/61/83/28/606618328.db2.gz DSJDBBVRWZSNRX-UHFFFAOYSA-N -1 3 313.405 2.650 20 0 DFADHM C[C@@H](NC(=O)/C=C1\CC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820676487 606620591 /nfs/dbraw/zinc/62/05/91/606620591.db2.gz NKTYVLJUFUPABS-AJGRILASSA-N -1 3 311.389 2.790 20 0 DFADHM C[C@@H](NC(=O)/C=C1\CC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820676487 606620592 /nfs/dbraw/zinc/62/05/92/606620592.db2.gz NKTYVLJUFUPABS-AJGRILASSA-N -1 3 311.389 2.790 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)=C1CCCC1 ZINC000821756247 606620709 /nfs/dbraw/zinc/62/07/09/606620709.db2.gz MMPBTATXBODFNJ-UHFFFAOYSA-N -1 3 313.361 2.704 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)=C1CCCC1 ZINC000821756247 606620710 /nfs/dbraw/zinc/62/07/10/606620710.db2.gz MMPBTATXBODFNJ-UHFFFAOYSA-N -1 3 313.361 2.704 20 0 DFADHM C[C@H](OC(=O)C1CC(F)(F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820487126 606626521 /nfs/dbraw/zinc/62/65/21/606626521.db2.gz FISVCNLWGFGROI-QMMMGPOBSA-N -1 3 308.288 2.516 20 0 DFADHM C[C@H](OC(=O)C1CC(F)(F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820487126 606626523 /nfs/dbraw/zinc/62/65/23/606626523.db2.gz FISVCNLWGFGROI-QMMMGPOBSA-N -1 3 308.288 2.516 20 0 DFADHM Cc1noc(CSc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000822527889 606628789 /nfs/dbraw/zinc/62/87/89/606628789.db2.gz IPEOOQGIKGNEKY-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM Cc1noc(CSc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000822527889 606628790 /nfs/dbraw/zinc/62/87/90/606628790.db2.gz IPEOOQGIKGNEKY-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823308906 606632230 /nfs/dbraw/zinc/63/22/30/606632230.db2.gz MFERMXDXAOGCLS-BETUJISGSA-N -1 3 312.377 2.521 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823308906 606632232 /nfs/dbraw/zinc/63/22/32/606632232.db2.gz MFERMXDXAOGCLS-BETUJISGSA-N -1 3 312.377 2.521 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823308907 606632577 /nfs/dbraw/zinc/63/25/77/606632577.db2.gz MFERMXDXAOGCLS-CHWSQXEVSA-N -1 3 312.377 2.521 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823308907 606632578 /nfs/dbraw/zinc/63/25/78/606632578.db2.gz MFERMXDXAOGCLS-CHWSQXEVSA-N -1 3 312.377 2.521 20 0 DFADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=C1CCC1 ZINC000820116322 606670161 /nfs/dbraw/zinc/67/01/61/606670161.db2.gz HEDGFYDBWKIFPY-UHFFFAOYSA-N -1 3 311.389 2.714 20 0 DFADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=C1CCC1 ZINC000820116322 606670162 /nfs/dbraw/zinc/67/01/62/606670162.db2.gz HEDGFYDBWKIFPY-UHFFFAOYSA-N -1 3 311.389 2.714 20 0 DFADHM COCC[C@H](C)SCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821685753 606694874 /nfs/dbraw/zinc/69/48/74/606694874.db2.gz OOIOYLYFVKMAFJ-LBPRGKRZSA-N -1 3 322.434 2.794 20 0 DFADHM COc1c(F)cc(F)cc1NCc1ccccc1-c1nnn[n-]1 ZINC000821698288 606709759 /nfs/dbraw/zinc/70/97/59/606709759.db2.gz DAQIKMBTRFFRKH-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1c(F)cc(F)cc1NCc1ccccc1-c1nn[n-]n1 ZINC000821698288 606709760 /nfs/dbraw/zinc/70/97/60/606709760.db2.gz DAQIKMBTRFFRKH-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1c(F)cc(F)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821698387 606710075 /nfs/dbraw/zinc/71/00/75/606710075.db2.gz HTHAOXQEQROMSD-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1c(F)cc(F)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821698387 606710076 /nfs/dbraw/zinc/71/00/76/606710076.db2.gz HTHAOXQEQROMSD-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Cc1nc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000822440756 606718594 /nfs/dbraw/zinc/71/85/94/606718594.db2.gz PYWIKLMNZGKXQJ-UHFFFAOYSA-N -1 3 314.418 2.572 20 0 DFADHM Clc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822574788 606721469 /nfs/dbraw/zinc/72/14/69/606721469.db2.gz ZEBJMDZJOQQBKJ-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM CC(C)[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000820044549 606725344 /nfs/dbraw/zinc/72/53/44/606725344.db2.gz HCFODZBXHGMSCV-GFCCVEGCSA-N -1 3 308.389 2.897 20 0 DFADHM CC(C)[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000820044549 606725345 /nfs/dbraw/zinc/72/53/45/606725345.db2.gz HCFODZBXHGMSCV-GFCCVEGCSA-N -1 3 308.389 2.897 20 0 DFADHM CC1(C)C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccccc2O1 ZINC000820589447 606725636 /nfs/dbraw/zinc/72/56/36/606725636.db2.gz FUMOJERTVULXQJ-ZDUSSCGKSA-N -1 3 322.372 2.976 20 0 DFADHM CC1(C)C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccccc2O1 ZINC000820589447 606725638 /nfs/dbraw/zinc/72/56/38/606725638.db2.gz FUMOJERTVULXQJ-ZDUSSCGKSA-N -1 3 322.372 2.976 20 0 DFADHM Cc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1F ZINC000822228727 606733577 /nfs/dbraw/zinc/73/35/77/606733577.db2.gz DEXYUDXAXQQBRP-JTQLQIEISA-N -1 3 301.325 2.758 20 0 DFADHM CC[C@H](C)CS[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820870804 606795893 /nfs/dbraw/zinc/79/58/93/606795893.db2.gz ZTLQVEXFCVLOHB-WDEREUQCSA-N -1 3 319.434 2.973 20 0 DFADHM CC[C@H](C)CS[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820870804 606795895 /nfs/dbraw/zinc/79/58/95/606795895.db2.gz ZTLQVEXFCVLOHB-WDEREUQCSA-N -1 3 319.434 2.973 20 0 DFADHM CC[C@H](C)CS[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820870461 606796003 /nfs/dbraw/zinc/79/60/03/606796003.db2.gz SUGHLZHGLCRWKE-QWRGUYRKSA-N -1 3 319.434 2.973 20 0 DFADHM CC[C@H](C)CS[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820870461 606796005 /nfs/dbraw/zinc/79/60/05/606796005.db2.gz SUGHLZHGLCRWKE-QWRGUYRKSA-N -1 3 319.434 2.973 20 0 DFADHM CCCC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC000821044291 606816710 /nfs/dbraw/zinc/81/67/10/606816710.db2.gz 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606922372 /nfs/dbraw/zinc/92/23/72/606922372.db2.gz ZIRGPMCMKWYVKM-UHFFFAOYSA-N -1 3 320.447 2.798 20 0 DFADHM CC(C)c1csc(CNCc2ccc(-c3nn[n-]n3)s2)n1 ZINC000820198577 606922375 /nfs/dbraw/zinc/92/23/75/606922375.db2.gz ZIRGPMCMKWYVKM-UHFFFAOYSA-N -1 3 320.447 2.798 20 0 DFADHM O=C(Nc1cc(F)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823299267 606937446 /nfs/dbraw/zinc/93/74/46/606937446.db2.gz PCGFRBUWVZXOTA-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1cc(F)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823299267 606937448 /nfs/dbraw/zinc/93/74/48/606937448.db2.gz PCGFRBUWVZXOTA-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820235062 606943754 /nfs/dbraw/zinc/94/37/54/606943754.db2.gz QXEXGQYSQOJLDV-BLLLJJGKSA-N -1 3 309.373 2.791 20 0 DFADHM c1cc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)cs1 ZINC000823748140 606949836 /nfs/dbraw/zinc/94/98/36/606949836.db2.gz QYAQCFAKSGFBDD-AWEZNQCLSA-N -1 3 313.386 2.506 20 0 DFADHM 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/nfs/dbraw/zinc/96/49/87/606964987.db2.gz BZJVIEGSPSMAHC-NWDGAFQWSA-N -1 3 317.780 2.529 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000822227585 606990324 /nfs/dbraw/zinc/99/03/24/606990324.db2.gz ODASLJZOSCXBIE-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000822227585 606990325 /nfs/dbraw/zinc/99/03/25/606990325.db2.gz ODASLJZOSCXBIE-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1ccncc1 ZINC000822216294 607018921 /nfs/dbraw/zinc/01/89/21/607018921.db2.gz LEILATRBADEKRL-GFCCVEGCSA-N -1 3 322.372 2.702 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccncc1 ZINC000822216294 607018922 /nfs/dbraw/zinc/01/89/22/607018922.db2.gz LEILATRBADEKRL-GFCCVEGCSA-N -1 3 322.372 2.702 20 0 DFADHM Cc1cn(CCCOc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000822384335 607022007 /nfs/dbraw/zinc/02/20/07/607022007.db2.gz KAWHZZOLBFGJCN-UHFFFAOYSA-N -1 3 301.325 2.585 20 0 DFADHM Cc1cn(CCCOc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000822384335 607022008 /nfs/dbraw/zinc/02/20/08/607022008.db2.gz KAWHZZOLBFGJCN-UHFFFAOYSA-N -1 3 301.325 2.585 20 0 DFADHM CC(=O)c1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000819834167 607025358 /nfs/dbraw/zinc/02/53/58/607025358.db2.gz MXVOFGMMSIYPGM-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccc(OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000819834167 607025360 /nfs/dbraw/zinc/02/53/60/607025360.db2.gz MXVOFGMMSIYPGM-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM COC(=O)c1ccc(COc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000821669215 607028813 /nfs/dbraw/zinc/02/88/13/607028813.db2.gz AJXSUFGBCLSAIW-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COC(=O)c1ccc(COc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000821669215 607028816 /nfs/dbraw/zinc/02/88/16/607028816.db2.gz AJXSUFGBCLSAIW-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM Cc1ccccc1NC(=O)COc1cc(-c2nnn[n-]2)ccc1C ZINC000822361650 607030022 /nfs/dbraw/zinc/03/00/22/607030022.db2.gz DVAUNJAQFBCLGY-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1ccccc1NC(=O)COc1cc(-c2nn[n-]n2)ccc1C ZINC000822361650 607030025 /nfs/dbraw/zinc/03/00/25/607030025.db2.gz DVAUNJAQFBCLGY-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1noc([C@@H](C)SCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000822520202 607033183 /nfs/dbraw/zinc/03/31/83/607033183.db2.gz SWMVUNHGEXEVHY-SSDOTTSWSA-N -1 3 320.353 2.692 20 0 DFADHM Cc1noc([C@@H](C)SCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000822520202 607033184 /nfs/dbraw/zinc/03/31/84/607033184.db2.gz SWMVUNHGEXEVHY-SSDOTTSWSA-N -1 3 320.353 2.692 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000821757005 607034912 /nfs/dbraw/zinc/03/49/12/607034912.db2.gz SXNRJWFAJBCZIH-WDEREUQCSA-N -1 3 315.377 2.640 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000821757005 607034914 /nfs/dbraw/zinc/03/49/14/607034914.db2.gz SXNRJWFAJBCZIH-WDEREUQCSA-N -1 3 315.377 2.640 20 0 DFADHM CCOC(=O)[C@H](CC)SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821321474 607039450 /nfs/dbraw/zinc/03/94/50/607039450.db2.gz 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/nfs/dbraw/zinc/08/56/60/607085660.db2.gz HTUVCNUKZSQBRT-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820684467 607090577 /nfs/dbraw/zinc/09/05/77/607090577.db2.gz QDKQJJNLPMMZHD-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820684467 607090578 /nfs/dbraw/zinc/09/05/78/607090578.db2.gz QDKQJJNLPMMZHD-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM CCC[C@H](CC)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821014315 607092149 /nfs/dbraw/zinc/09/21/49/607092149.db2.gz DPWRUBNEMWKDQG-RYUDHWBXSA-N -1 3 318.377 2.756 20 0 DFADHM CCC[C@H](CC)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821014315 607092151 /nfs/dbraw/zinc/09/21/51/607092151.db2.gz DPWRUBNEMWKDQG-RYUDHWBXSA-N -1 3 318.377 2.756 20 0 DFADHM CCC[C@H](CC)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821016521 607092774 /nfs/dbraw/zinc/09/27/74/607092774.db2.gz XCRUJHKZLUMUPD-AAEUAGOBSA-N -1 3 318.377 2.756 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC(C)(C)C ZINC000821294681 607099423 /nfs/dbraw/zinc/09/94/23/607099423.db2.gz XDFCAXIKFSJJBK-UHFFFAOYSA-N -1 3 302.382 2.673 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1C=CCC1 ZINC000821292586 607100249 /nfs/dbraw/zinc/10/02/49/607100249.db2.gz CWAVTTJZXZJYCK-LLVKDONJSA-N -1 3 312.377 2.593 20 0 DFADHM CCC[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NCC ZINC000821015931 607100350 /nfs/dbraw/zinc/10/03/50/607100350.db2.gz TVJAPPNHBHFFGE-SNVBAGLBSA-N -1 3 302.382 2.673 20 0 DFADHM CC=C(C=CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)CC ZINC000820833197 607119286 /nfs/dbraw/zinc/11/92/86/607119286.db2.gz TTWYRKVODCKVES-MJYGYMJXSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)CC ZINC000820833197 607119288 /nfs/dbraw/zinc/11/92/88/607119288.db2.gz TTWYRKVODCKVES-MJYGYMJXSA-N -1 3 316.336 2.962 20 0 DFADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NC3CC=CC3)c2c1 ZINC000822754056 607119890 /nfs/dbraw/zinc/11/98/90/607119890.db2.gz XCCWCEGSUUUPKU-UHFFFAOYSA-N -1 3 314.299 2.824 20 0 DFADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NC3CC=CC3)c2c1 ZINC000822754056 607119892 /nfs/dbraw/zinc/11/98/92/607119892.db2.gz XCCWCEGSUUUPKU-UHFFFAOYSA-N -1 3 314.299 2.824 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1OCCCOc1ccccc1 ZINC000822748281 607135320 /nfs/dbraw/zinc/13/53/20/607135320.db2.gz QWDVUIAIPPYMNG-UHFFFAOYSA-N -1 3 314.320 2.854 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1OCCCOc1ccccc1 ZINC000822748281 607135322 /nfs/dbraw/zinc/13/53/22/607135322.db2.gz QWDVUIAIPPYMNG-UHFFFAOYSA-N -1 3 314.320 2.854 20 0 DFADHM CCc1nc(COc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000821509472 607136035 /nfs/dbraw/zinc/13/60/35/607136035.db2.gz IBAFDMUUNZICIE-UHFFFAOYSA-N -1 3 305.338 2.604 20 0 DFADHM CCc1nc(COc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000821509472 607136036 /nfs/dbraw/zinc/13/60/36/607136036.db2.gz IBAFDMUUNZICIE-UHFFFAOYSA-N -1 3 305.338 2.604 20 0 DFADHM Fc1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822783071 607138809 /nfs/dbraw/zinc/13/88/09/607138809.db2.gz UBUNXWFXIWPUMD-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Fc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822783071 607138811 /nfs/dbraw/zinc/13/88/11/607138811.db2.gz UBUNXWFXIWPUMD-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Cc1cnc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000822394976 607143155 /nfs/dbraw/zinc/14/31/55/607143155.db2.gz NCRZCYJNAITIPS-UHFFFAOYSA-N -1 3 318.793 2.911 20 0 DFADHM Cc1cnc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000822394976 607143157 /nfs/dbraw/zinc/14/31/57/607143157.db2.gz NCRZCYJNAITIPS-UHFFFAOYSA-N -1 3 318.793 2.911 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@H]2CC23CCC3)c1-c1nnn[n-]1 ZINC000821465651 607143979 /nfs/dbraw/zinc/14/39/79/607143979.db2.gz MFOLPQJRGKGSHV-SNVBAGLBSA-N -1 3 317.418 2.928 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@H]2CC23CCC3)c1-c1nn[n-]n1 ZINC000821465651 607143981 /nfs/dbraw/zinc/14/39/81/607143981.db2.gz MFOLPQJRGKGSHV-SNVBAGLBSA-N -1 3 317.418 2.928 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)oc1C ZINC000822168597 607145739 /nfs/dbraw/zinc/14/57/39/607145739.db2.gz QEYWALZGUCPEBY-SNVBAGLBSA-N -1 3 311.345 2.568 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)oc1C ZINC000822168597 607145740 /nfs/dbraw/zinc/14/57/40/607145740.db2.gz QEYWALZGUCPEBY-SNVBAGLBSA-N -1 3 311.345 2.568 20 0 DFADHM CCc1oc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1C ZINC000821558980 607150665 /nfs/dbraw/zinc/15/06/65/607150665.db2.gz NFDMJVLMOBRDQF-UHFFFAOYSA-N -1 3 303.347 2.644 20 0 DFADHM CCc1oc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1C ZINC000821558980 607150663 /nfs/dbraw/zinc/15/06/63/607150663.db2.gz NFDMJVLMOBRDQF-UHFFFAOYSA-N -1 3 303.347 2.644 20 0 DFADHM CCC(CC)(CC)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820882616 607152310 /nfs/dbraw/zinc/15/23/10/607152310.db2.gz VOHDPVFEBLZYDV-UHFFFAOYSA-N -1 3 301.394 2.699 20 0 DFADHM CCC(CC)(CC)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820882616 607152312 /nfs/dbraw/zinc/15/23/12/607152312.db2.gz VOHDPVFEBLZYDV-UHFFFAOYSA-N -1 3 301.394 2.699 20 0 DFADHM COc1cccc(COc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821873525 607170863 /nfs/dbraw/zinc/17/08/63/607170863.db2.gz UZLUZMXJHXAHQB-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1cccc(COc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821873525 607170864 /nfs/dbraw/zinc/17/08/64/607170864.db2.gz UZLUZMXJHXAHQB-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM Cc1cccc2c(Oc3ccccc3-c3nnn[n-]3)ncnc12 ZINC000822341292 607173108 /nfs/dbraw/zinc/17/31/08/607173108.db2.gz VJJAGNKLZXWHJW-UHFFFAOYSA-N -1 3 304.313 2.911 20 0 DFADHM Cc1cccc2c(Oc3ccccc3-c3nn[n-]n3)ncnc12 ZINC000822341292 607173109 /nfs/dbraw/zinc/17/31/09/607173109.db2.gz VJJAGNKLZXWHJW-UHFFFAOYSA-N -1 3 304.313 2.911 20 0 DFADHM Cc1cccc2c(NCc3cccc(-c4nnn[n-]4)c3)ncnc12 ZINC000822336412 607173193 /nfs/dbraw/zinc/17/31/93/607173193.db2.gz PTBHDIOEAJKQPT-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cccc2c(NCc3cccc(-c4nn[n-]n4)c3)ncnc12 ZINC000822336412 607173194 /nfs/dbraw/zinc/17/31/94/607173194.db2.gz PTBHDIOEAJKQPT-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM CCCN(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821094272 607198220 /nfs/dbraw/zinc/19/82/20/607198220.db2.gz FOYXVFOHXNZWBJ-UHFFFAOYSA-N -1 3 308.773 2.784 20 0 DFADHM CCCN(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821094272 607198221 /nfs/dbraw/zinc/19/82/21/607198221.db2.gz FOYXVFOHXNZWBJ-UHFFFAOYSA-N -1 3 308.773 2.784 20 0 DFADHM CCC1(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC000820967682 607200801 /nfs/dbraw/zinc/20/08/01/607200801.db2.gz SVIMGKUFPYAUHS-UHFFFAOYSA-N -1 3 320.784 2.974 20 0 DFADHM CCC1(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC000820967682 607200802 /nfs/dbraw/zinc/20/08/02/607200802.db2.gz SVIMGKUFPYAUHS-UHFFFAOYSA-N -1 3 320.784 2.974 20 0 DFADHM CCC[C@H]1C[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821034965 607204151 /nfs/dbraw/zinc/20/41/51/607204151.db2.gz XOJRANNONDTKPJ-UFBFGSQYSA-N -1 3 320.784 2.830 20 0 DFADHM CCC[C@H]1C[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821034965 607204152 /nfs/dbraw/zinc/20/41/52/607204152.db2.gz XOJRANNONDTKPJ-UFBFGSQYSA-N -1 3 320.784 2.830 20 0 DFADHM CCc1c(C)sc(NC(=O)Cc2ccco2)c1-c1nnn[n-]1 ZINC000821465820 607237898 /nfs/dbraw/zinc/23/78/98/607237898.db2.gz QPRDTEPCYOEMRX-UHFFFAOYSA-N -1 3 317.374 2.573 20 0 DFADHM CCc1c(C)sc(NC(=O)Cc2ccco2)c1-c1nn[n-]n1 ZINC000821465820 607237899 /nfs/dbraw/zinc/23/78/99/607237899.db2.gz QPRDTEPCYOEMRX-UHFFFAOYSA-N -1 3 317.374 2.573 20 0 DFADHM CC(C)CO[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820098426 607241125 /nfs/dbraw/zinc/24/11/25/607241125.db2.gz YVCAFCAIORZAQU-SECBINFHSA-N -1 3 323.784 2.520 20 0 DFADHM CC(C)CO[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820098426 607241126 /nfs/dbraw/zinc/24/11/26/607241126.db2.gz YVCAFCAIORZAQU-SECBINFHSA-N -1 3 323.784 2.520 20 0 DFADHM CSCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821961961 607241374 /nfs/dbraw/zinc/24/13/74/607241374.db2.gz MSENHLJEJWENBK-UHFFFAOYSA-N -1 3 311.798 2.602 20 0 DFADHM CSCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821961961 607241375 /nfs/dbraw/zinc/24/13/75/607241375.db2.gz MSENHLJEJWENBK-UHFFFAOYSA-N -1 3 311.798 2.602 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@H]1C1CC1 ZINC000823313687 607244250 /nfs/dbraw/zinc/24/42/50/607244250.db2.gz HUABWFSHTSWQGY-VHSXEESVSA-N -1 3 303.753 2.505 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@H]1C1CC1 ZINC000823313687 607244251 /nfs/dbraw/zinc/24/42/51/607244251.db2.gz HUABWFSHTSWQGY-VHSXEESVSA-N -1 3 303.753 2.505 20 0 DFADHM O=C(C=C1CCCCC1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822922187 607244790 /nfs/dbraw/zinc/24/47/90/607244790.db2.gz CWIYOTGLGXDTJI-UHFFFAOYSA-N -1 3 302.309 2.802 20 0 DFADHM O=C(C=C1CCCCC1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822922187 607244791 /nfs/dbraw/zinc/24/47/91/607244791.db2.gz CWIYOTGLGXDTJI-UHFFFAOYSA-N -1 3 302.309 2.802 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1F ZINC000823451647 607245000 /nfs/dbraw/zinc/24/50/00/607245000.db2.gz XLVJMJSNAGJMMW-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1F ZINC000823451647 607245001 /nfs/dbraw/zinc/24/50/01/607245001.db2.gz XLVJMJSNAGJMMW-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM CCN(C(=O)[C@H]1CC1(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367775 607793770 /nfs/dbraw/zinc/79/37/70/607793770.db2.gz WFYBJLZRVOKTJA-SMDDNHRTSA-N -1 3 313.405 2.822 20 0 DFADHM CCN(C(=O)[C@H]1CC1(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367775 607793771 /nfs/dbraw/zinc/79/37/71/607793771.db2.gz WFYBJLZRVOKTJA-SMDDNHRTSA-N -1 3 313.405 2.822 20 0 DFADHM CCCC(CCC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000825242712 607793776 /nfs/dbraw/zinc/79/37/76/607793776.db2.gz ZCSDHQVDPKVCNE-UHFFFAOYSA-N -1 3 319.384 2.838 20 0 DFADHM CCCC(CCC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825242712 607793777 /nfs/dbraw/zinc/79/37/77/607793777.db2.gz ZCSDHQVDPKVCNE-UHFFFAOYSA-N -1 3 319.384 2.838 20 0 DFADHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824200769 607819692 /nfs/dbraw/zinc/81/96/92/607819692.db2.gz VEGOCSCMUIJEQG-CYBMUJFWSA-N -1 3 323.828 2.975 20 0 DFADHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824200769 607819693 /nfs/dbraw/zinc/81/96/93/607819693.db2.gz VEGOCSCMUIJEQG-CYBMUJFWSA-N -1 3 323.828 2.975 20 0 DFADHM CC1(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000824836630 607842701 /nfs/dbraw/zinc/84/27/01/607842701.db2.gz AOAVQPIXAPHEDN-UHFFFAOYSA-N -1 3 322.825 2.749 20 0 DFADHM CC1(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC000824836630 607842702 /nfs/dbraw/zinc/84/27/02/607842702.db2.gz AOAVQPIXAPHEDN-UHFFFAOYSA-N -1 3 322.825 2.749 20 0 DFADHM CC1(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000824830891 607855777 /nfs/dbraw/zinc/85/57/77/607855777.db2.gz MPTNOYBUDDZFDN-UHFFFAOYSA-N -1 3 306.757 2.584 20 0 DFADHM CC1(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC000824830891 607855778 /nfs/dbraw/zinc/85/57/78/607855778.db2.gz MPTNOYBUDDZFDN-UHFFFAOYSA-N -1 3 306.757 2.584 20 0 DFADHM O[C@@H](COc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504912 607869756 /nfs/dbraw/zinc/86/97/56/607869756.db2.gz HVYNJGLKYMVFLI-ZDUSSCGKSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@@H](COc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504912 607869757 /nfs/dbraw/zinc/86/97/57/607869757.db2.gz HVYNJGLKYMVFLI-ZDUSSCGKSA-N -1 3 316.748 2.633 20 0 DFADHM Cc1cccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826300092 607870396 /nfs/dbraw/zinc/87/03/96/607870396.db2.gz IISUTTVWQYCTPW-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826300092 607870397 /nfs/dbraw/zinc/87/03/97/607870397.db2.gz IISUTTVWQYCTPW-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Fc1ccc(-c2cnc(Cn3ccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000826373076 607891146 /nfs/dbraw/zinc/89/11/46/607891146.db2.gz YMRKEJHLRBJDAO-UHFFFAOYSA-N -1 3 310.292 2.511 20 0 DFADHM Fc1ccc(-c2cnc(Cn3ccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000826373076 607891147 /nfs/dbraw/zinc/89/11/47/607891147.db2.gz YMRKEJHLRBJDAO-UHFFFAOYSA-N -1 3 310.292 2.511 20 0 DFADHM Fc1cccc(-c2nc(Cn3ccc(-c4nnn[n-]4)c3)co2)c1 ZINC000826376878 607892445 /nfs/dbraw/zinc/89/24/45/607892445.db2.gz WTFGFVZKEZVYKL-UHFFFAOYSA-N -1 3 310.292 2.511 20 0 DFADHM Fc1cccc(-c2nc(Cn3ccc(-c4nn[n-]n4)c3)co2)c1 ZINC000826376878 607892446 /nfs/dbraw/zinc/89/24/46/607892446.db2.gz WTFGFVZKEZVYKL-UHFFFAOYSA-N -1 3 310.292 2.511 20 0 DFADHM CC1=CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000824852576 607919470 /nfs/dbraw/zinc/91/94/70/607919470.db2.gz OBTUDBWFLIPXJF-UHFFFAOYSA-N -1 3 318.768 2.704 20 0 DFADHM CC1=CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824852576 607919471 /nfs/dbraw/zinc/91/94/71/607919471.db2.gz OBTUDBWFLIPXJF-UHFFFAOYSA-N -1 3 318.768 2.704 20 0 DFADHM Cc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)ccc1F ZINC000826258857 607946272 /nfs/dbraw/zinc/94/62/72/607946272.db2.gz ZCTPFHLOBMNCNF-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM Cc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)ccc1F ZINC000826258857 607946273 /nfs/dbraw/zinc/94/62/73/607946273.db2.gz ZCTPFHLOBMNCNF-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM O=C(CC1CCCCC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826403949 607950195 /nfs/dbraw/zinc/95/01/95/607950195.db2.gz JHXVAFUZVOVVBO-UHFFFAOYSA-N -1 3 311.389 2.726 20 0 DFADHM O=C(CC1CCCCC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826403949 607950196 /nfs/dbraw/zinc/95/01/96/607950196.db2.gz JHXVAFUZVOVVBO-UHFFFAOYSA-N -1 3 311.389 2.726 20 0 DFADHM CC[C@@H](CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)C(C)C ZINC000825080568 607953279 /nfs/dbraw/zinc/95/32/79/607953279.db2.gz ARMVXOPUGUTHGB-LBPRGKRZSA-N -1 3 313.405 2.828 20 0 DFADHM CC[C@@H](CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)C(C)C ZINC000825080568 607953280 /nfs/dbraw/zinc/95/32/80/607953280.db2.gz ARMVXOPUGUTHGB-LBPRGKRZSA-N -1 3 313.405 2.828 20 0 DFADHM c1cnn(-c2ccc(COc3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000826519570 607964638 /nfs/dbraw/zinc/96/46/38/607964638.db2.gz DXKQKOCLQPTODH-UHFFFAOYSA-N -1 3 318.340 2.631 20 0 DFADHM c1cnn(-c2ccc(COc3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826519570 607964639 /nfs/dbraw/zinc/96/46/39/607964639.db2.gz DXKQKOCLQPTODH-UHFFFAOYSA-N -1 3 318.340 2.631 20 0 DFADHM Fc1cccc(N[C@H](c2cccnc2)C2CC2)c1-c1nnn[n-]1 ZINC000826377396 607969125 /nfs/dbraw/zinc/96/91/25/607969125.db2.gz QAGWYRDQYDSKBK-HNNXBMFYSA-N -1 3 310.336 2.964 20 0 DFADHM Fc1cccc(N[C@H](c2cccnc2)C2CC2)c1-c1nn[n-]n1 ZINC000826377396 607969126 /nfs/dbraw/zinc/96/91/26/607969126.db2.gz QAGWYRDQYDSKBK-HNNXBMFYSA-N -1 3 310.336 2.964 20 0 DFADHM CCC[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000825258426 607969496 /nfs/dbraw/zinc/96/94/96/607969496.db2.gz CWDJVEOMMIPPBX-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CCC[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000825258426 607969497 /nfs/dbraw/zinc/96/94/97/607969497.db2.gz CWDJVEOMMIPPBX-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccccn1 ZINC000825351410 607974695 /nfs/dbraw/zinc/97/46/95/607974695.db2.gz DEEVZGWBTBBSJW-UHFFFAOYSA-N -1 3 305.345 2.688 20 0 DFADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccccn1 ZINC000825351410 607974696 /nfs/dbraw/zinc/97/46/96/607974696.db2.gz DEEVZGWBTBBSJW-UHFFFAOYSA-N -1 3 305.345 2.688 20 0 DFADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC)cc1 ZINC000825782802 607975183 /nfs/dbraw/zinc/97/51/83/607975183.db2.gz QFKGGOFBQIOCFM-UHFFFAOYSA-N -1 3 320.356 2.912 20 0 DFADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC)cc1 ZINC000825782802 607975184 /nfs/dbraw/zinc/97/51/84/607975184.db2.gz QFKGGOFBQIOCFM-UHFFFAOYSA-N -1 3 320.356 2.912 20 0 DFADHM Brc1cc(-c2nn[n-]n2)ccc1NC1CCCC1 ZINC000823826941 607987638 /nfs/dbraw/zinc/98/76/38/607987638.db2.gz REEQJKAVLPAIBB-UHFFFAOYSA-N -1 3 308.183 2.984 20 0 DFADHM CC(C)(C)C1=CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824071406 608003472 /nfs/dbraw/zinc/00/34/72/608003472.db2.gz IBGBUPWGRSBKHI-UHFFFAOYSA-N -1 3 317.418 2.747 20 0 DFADHM CC(C)(C)C1=CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000824071406 608003473 /nfs/dbraw/zinc/00/34/73/608003473.db2.gz IBGBUPWGRSBKHI-UHFFFAOYSA-N -1 3 317.418 2.747 20 0 DFADHM C[C@H]1CSC(SCc2ccc(-c3nnn[n-]3)cc2F)=N1 ZINC000825012274 608014123 /nfs/dbraw/zinc/01/41/23/608014123.db2.gz FWSIVZLWULALGQ-ZETCQYMHSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@H]1CSC(SCc2ccc(-c3nn[n-]n3)cc2F)=N1 ZINC000825012274 608014124 /nfs/dbraw/zinc/01/41/24/608014124.db2.gz FWSIVZLWULALGQ-ZETCQYMHSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2Br)C[C@H]1C ZINC000824991461 608050687 /nfs/dbraw/zinc/05/06/87/608050687.db2.gz BHOQMMMGLRBTNL-RKDXNWHRSA-N -1 3 322.210 2.721 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000825096735 608058124 /nfs/dbraw/zinc/05/81/24/608058124.db2.gz QCOVZSIRAGBQMC-SNVBAGLBSA-N -1 3 319.384 2.694 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825096735 608058125 /nfs/dbraw/zinc/05/81/25/608058125.db2.gz QCOVZSIRAGBQMC-SNVBAGLBSA-N -1 3 319.384 2.694 20 0 DFADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)OCc1ccccc1 ZINC000824764020 608063222 /nfs/dbraw/zinc/06/32/22/608063222.db2.gz RHXAFOIAPDNLLB-ZDUSSCGKSA-N -1 3 309.373 2.991 20 0 DFADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)OCc1ccccc1 ZINC000824764020 608063223 /nfs/dbraw/zinc/06/32/23/608063223.db2.gz RHXAFOIAPDNLLB-ZDUSSCGKSA-N -1 3 309.373 2.991 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825095451 608071588 /nfs/dbraw/zinc/07/15/88/608071588.db2.gz GOPKGCHCJYDALK-LLVKDONJSA-N -1 3 301.394 2.902 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825095451 608071589 /nfs/dbraw/zinc/07/15/89/608071589.db2.gz GOPKGCHCJYDALK-LLVKDONJSA-N -1 3 301.394 2.902 20 0 DFADHM C[C@@H]1CCc2ccccc2[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824966995 608099031 /nfs/dbraw/zinc/09/90/31/608099031.db2.gz GKPGTMQPDJBKIE-BDJLRTHQSA-N -1 3 306.373 2.997 20 0 DFADHM C[C@@H]1CCc2ccccc2[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824966995 608099032 /nfs/dbraw/zinc/09/90/32/608099032.db2.gz GKPGTMQPDJBKIE-BDJLRTHQSA-N -1 3 306.373 2.997 20 0 DFADHM O=C(Nc1scnc1C1CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826461100 608102334 /nfs/dbraw/zinc/10/23/34/608102334.db2.gz GDWYYEKWVQXKSH-UHFFFAOYSA-N -1 3 318.387 2.514 20 0 DFADHM O=C(Nc1scnc1C1CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826461100 608102335 /nfs/dbraw/zinc/10/23/35/608102335.db2.gz GDWYYEKWVQXKSH-UHFFFAOYSA-N -1 3 318.387 2.514 20 0 DFADHM CCCCO[C@H](C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825291141 608182280 /nfs/dbraw/zinc/18/22/80/608182280.db2.gz MQMNQPNKSFFCDL-NWDGAFQWSA-N -1 3 318.377 2.676 20 0 DFADHM CCCCO[C@H](C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825291141 608182282 /nfs/dbraw/zinc/18/22/82/608182282.db2.gz MQMNQPNKSFFCDL-NWDGAFQWSA-N -1 3 318.377 2.676 20 0 DFADHM CCC1(CC)[C@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](C)[C@@H]1OC ZINC000825171419 608197318 /nfs/dbraw/zinc/19/73/18/608197318.db2.gz PBOSRNCXRLRCJI-RTXFEEFZSA-N -1 3 316.409 2.513 20 0 DFADHM CCC1(CC)[C@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](C)[C@@H]1OC ZINC000825171419 608197320 /nfs/dbraw/zinc/19/73/20/608197320.db2.gz PBOSRNCXRLRCJI-RTXFEEFZSA-N -1 3 316.409 2.513 20 0 DFADHM CCC1(CC)[C@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](C)[C@H]1OC ZINC000825171417 608197446 /nfs/dbraw/zinc/19/74/46/608197446.db2.gz PBOSRNCXRLRCJI-RAIGVLPGSA-N -1 3 316.409 2.513 20 0 DFADHM CCC1(CC)[C@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](C)[C@H]1OC ZINC000825171417 608197447 /nfs/dbraw/zinc/19/74/47/608197447.db2.gz PBOSRNCXRLRCJI-RAIGVLPGSA-N -1 3 316.409 2.513 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC12CCC2 ZINC000824957848 608199937 /nfs/dbraw/zinc/19/99/37/608199937.db2.gz ZZJKDPUVKPZQQU-GFCCVEGCSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC12CCC2 ZINC000824957848 608199939 /nfs/dbraw/zinc/19/99/39/608199939.db2.gz ZZJKDPUVKPZQQU-GFCCVEGCSA-N -1 3 311.389 2.519 20 0 DFADHM Clc1cccc(SCCn2cccn2)c1-c1nnn[n-]1 ZINC000826353570 608206396 /nfs/dbraw/zinc/20/63/96/608206396.db2.gz VLMXYDVUXIFQMQ-UHFFFAOYSA-N -1 3 306.782 2.509 20 0 DFADHM Clc1cccc(SCCn2cccn2)c1-c1nn[n-]n1 ZINC000826353570 608206398 /nfs/dbraw/zinc/20/63/98/608206398.db2.gz VLMXYDVUXIFQMQ-UHFFFAOYSA-N -1 3 306.782 2.509 20 0 DFADHM Cc1cnc(COc2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000826318742 608219121 /nfs/dbraw/zinc/21/91/21/608219121.db2.gz XFRIVMIQMKGCQP-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM Cc1cnc(COc2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000826318742 608219122 /nfs/dbraw/zinc/21/91/22/608219122.db2.gz XFRIVMIQMKGCQP-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM COCCCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826155883 608225598 /nfs/dbraw/zinc/22/55/98/608225598.db2.gz GIBGSJOXYQUCDB-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM COCCCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826155883 608225599 /nfs/dbraw/zinc/22/55/99/608225599.db2.gz GIBGSJOXYQUCDB-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM C[C@H]1C[C@@H](CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824886287 608236375 /nfs/dbraw/zinc/23/63/75/608236375.db2.gz WTVBVPZFTYJAFN-RYUDHWBXSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H]1C[C@@H](CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824886287 608236376 /nfs/dbraw/zinc/23/63/76/608236376.db2.gz WTVBVPZFTYJAFN-RYUDHWBXSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H]1C[C@H](CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824886288 608236515 /nfs/dbraw/zinc/23/65/15/608236515.db2.gz WTVBVPZFTYJAFN-VXGBXAGGSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H]1C[C@H](CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824886288 608236517 /nfs/dbraw/zinc/23/65/17/608236517.db2.gz WTVBVPZFTYJAFN-VXGBXAGGSA-N -1 3 324.388 2.642 20 0 DFADHM CCC1(O)CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825176518 608239205 /nfs/dbraw/zinc/23/92/05/608239205.db2.gz WLBONQAEBPBXGX-UHFFFAOYSA-N -1 3 305.357 2.501 20 0 DFADHM CCC1(O)CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825176518 608239207 /nfs/dbraw/zinc/23/92/07/608239207.db2.gz WLBONQAEBPBXGX-UHFFFAOYSA-N -1 3 305.357 2.501 20 0 DFADHM CC(C)[C@@H]1C[C@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000824214776 608242307 /nfs/dbraw/zinc/24/23/07/608242307.db2.gz IBVQRGRPTZWREV-MFKMUULPSA-N -1 3 323.347 2.760 20 0 DFADHM CC(C)[C@@H]1C[C@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824214776 608242308 /nfs/dbraw/zinc/24/23/08/608242308.db2.gz IBVQRGRPTZWREV-MFKMUULPSA-N -1 3 323.347 2.760 20 0 DFADHM CC(C)[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824214771 608242395 /nfs/dbraw/zinc/24/23/95/608242395.db2.gz IBRZAASKMARLLQ-FZMZJTMJSA-N -1 3 305.357 2.621 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccccc1C(C)=O ZINC000826173267 608260659 /nfs/dbraw/zinc/26/06/59/608260659.db2.gz VQDDTUMMDBXDCY-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccccc1C(C)=O ZINC000826173267 608260661 /nfs/dbraw/zinc/26/06/61/608260661.db2.gz VQDDTUMMDBXDCY-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825193840 608270910 /nfs/dbraw/zinc/27/09/10/608270910.db2.gz ODKZFCBFGHINIO-PSASIEDQSA-N -1 3 321.331 2.548 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825193840 608270911 /nfs/dbraw/zinc/27/09/11/608270911.db2.gz ODKZFCBFGHINIO-PSASIEDQSA-N -1 3 321.331 2.548 20 0 DFADHM CCOc1ccccc1CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC000825653603 608281498 /nfs/dbraw/zinc/28/14/98/608281498.db2.gz GDZJBLVGOOWRKG-UHFFFAOYSA-N -1 3 324.388 2.623 20 0 DFADHM CCOc1ccccc1CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC000825653603 608281499 /nfs/dbraw/zinc/28/14/99/608281499.db2.gz GDZJBLVGOOWRKG-UHFFFAOYSA-N -1 3 324.388 2.623 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC2CC(c3ccccc3)C2)n1 ZINC000826275217 608283351 /nfs/dbraw/zinc/28/33/51/608283351.db2.gz SGDRNCQJALTBRL-UHFFFAOYSA-N -1 3 306.373 2.928 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC2CC(c3ccccc3)C2)n1 ZINC000826275217 608283352 /nfs/dbraw/zinc/28/33/52/608283352.db2.gz SGDRNCQJALTBRL-UHFFFAOYSA-N -1 3 306.373 2.928 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCCOc2ccccc2C)n1 ZINC000826276606 608283787 /nfs/dbraw/zinc/28/37/87/608283787.db2.gz NMAQRDSAZRZOIE-UHFFFAOYSA-N -1 3 324.388 2.760 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCCOc2ccccc2C)n1 ZINC000826276606 608283789 /nfs/dbraw/zinc/28/37/89/608283789.db2.gz NMAQRDSAZRZOIE-UHFFFAOYSA-N -1 3 324.388 2.760 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC000826274107 608288198 /nfs/dbraw/zinc/28/81/98/608288198.db2.gz GYWIBGJXUSHZKK-DZGCQCFKSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC000826274107 608288200 /nfs/dbraw/zinc/28/82/00/608288200.db2.gz GYWIBGJXUSHZKK-DZGCQCFKSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCOC2CCCCCC2)n1 ZINC000826276324 608290493 /nfs/dbraw/zinc/29/04/93/608290493.db2.gz AKILGZPZSDVLPA-UHFFFAOYSA-N -1 3 316.409 2.721 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCOC2CCCCCC2)n1 ZINC000826276324 608290495 /nfs/dbraw/zinc/29/04/95/608290495.db2.gz AKILGZPZSDVLPA-UHFFFAOYSA-N -1 3 316.409 2.721 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000826274348 608295242 /nfs/dbraw/zinc/29/52/42/608295242.db2.gz OFGPJVZDWXEATE-GOSISDBHSA-N -1 3 320.400 2.738 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000826274348 608295244 /nfs/dbraw/zinc/29/52/44/608295244.db2.gz OFGPJVZDWXEATE-GOSISDBHSA-N -1 3 320.400 2.738 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCCSCC(C)C)n1 ZINC000826276833 608300589 /nfs/dbraw/zinc/30/05/89/608300589.db2.gz ZLDCTNBYZVSYJL-UHFFFAOYSA-N -1 3 306.439 2.761 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCCSCC(C)C)n1 ZINC000826276833 608300591 /nfs/dbraw/zinc/30/05/91/608300591.db2.gz ZLDCTNBYZVSYJL-UHFFFAOYSA-N -1 3 306.439 2.761 20 0 DFADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(F)c1F ZINC000824611823 608308639 /nfs/dbraw/zinc/30/86/39/608308639.db2.gz FRGIVEGDEYTBKX-QMMMGPOBSA-N -1 3 305.288 2.589 20 0 DFADHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1cccc(F)c1F ZINC000824611823 608308642 /nfs/dbraw/zinc/30/86/42/608308642.db2.gz FRGIVEGDEYTBKX-QMMMGPOBSA-N -1 3 305.288 2.589 20 0 DFADHM Cc1ccncc1[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826315501 608334601 /nfs/dbraw/zinc/33/46/01/608334601.db2.gz LNGDRXVETQHJLV-SECBINFHSA-N -1 3 315.358 2.550 20 0 DFADHM Cc1ccncc1[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826315501 608334603 /nfs/dbraw/zinc/33/46/03/608334603.db2.gz LNGDRXVETQHJLV-SECBINFHSA-N -1 3 315.358 2.550 20 0 DFADHM Cc1scc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000826350108 608343022 /nfs/dbraw/zinc/34/30/22/608343022.db2.gz ISXITLAVAQKNFQ-UHFFFAOYSA-N -1 3 317.349 2.936 20 0 DFADHM Cc1scc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000826350108 608343024 /nfs/dbraw/zinc/34/30/24/608343024.db2.gz ISXITLAVAQKNFQ-UHFFFAOYSA-N -1 3 317.349 2.936 20 0 DFADHM C/C=C(\C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825029585 608343212 /nfs/dbraw/zinc/34/32/12/608343212.db2.gz XARHSUQQFWJOLX-RUDMXATFSA-N -1 3 305.769 2.839 20 0 DFADHM C/C=C(\C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825029585 608343214 /nfs/dbraw/zinc/34/32/14/608343214.db2.gz XARHSUQQFWJOLX-RUDMXATFSA-N -1 3 305.769 2.839 20 0 DFADHM c1c(CNc2cnccc2-c2nnn[n-]2)onc1-c1ccccc1 ZINC000826519037 608366548 /nfs/dbraw/zinc/36/65/48/608366548.db2.gz HMXZWKMDZPQRBV-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM c1c(CNc2cnccc2-c2nn[n-]n2)onc1-c1ccccc1 ZINC000826519037 608366549 /nfs/dbraw/zinc/36/65/49/608366549.db2.gz HMXZWKMDZPQRBV-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM Oc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000826511370 608372387 /nfs/dbraw/zinc/37/23/87/608372387.db2.gz MVOPFYNCTQJQBC-UHFFFAOYSA-N -1 3 301.737 2.838 20 0 DFADHM Oc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000826511370 608372389 /nfs/dbraw/zinc/37/23/89/608372389.db2.gz MVOPFYNCTQJQBC-UHFFFAOYSA-N -1 3 301.737 2.838 20 0 DFADHM C[C@@H](O)c1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000824707501 608372515 /nfs/dbraw/zinc/37/25/15/608372515.db2.gz RMVHAYNBONYBLY-SNVBAGLBSA-N -1 3 313.336 2.671 20 0 DFADHM C[C@@H](O)c1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000824707501 608372518 /nfs/dbraw/zinc/37/25/18/608372518.db2.gz RMVHAYNBONYBLY-SNVBAGLBSA-N -1 3 313.336 2.671 20 0 DFADHM OC1(CNc2nc3ccccc3cc2-c2nnn[n-]2)CCCCC1 ZINC000826506035 608376473 /nfs/dbraw/zinc/37/64/73/608376473.db2.gz LNCGWOJKQHYFBG-UHFFFAOYSA-N -1 3 324.388 2.522 20 0 DFADHM OC1(CNc2nc3ccccc3cc2-c2nn[n-]n2)CCCCC1 ZINC000826506035 608376475 /nfs/dbraw/zinc/37/64/75/608376475.db2.gz LNCGWOJKQHYFBG-UHFFFAOYSA-N -1 3 324.388 2.522 20 0 DFADHM Fc1c(CN(Cc2ccncc2)C2CC2)cccc1-c1nnn[n-]1 ZINC000826370509 608417622 /nfs/dbraw/zinc/41/76/22/608417622.db2.gz WIVYFHNNTYPLDT-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM Fc1c(CN(Cc2ccncc2)C2CC2)cccc1-c1nn[n-]n1 ZINC000826370509 608417624 /nfs/dbraw/zinc/41/76/24/608417624.db2.gz WIVYFHNNTYPLDT-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826282452 608434917 /nfs/dbraw/zinc/43/49/17/608434917.db2.gz PDTMFNOJPPTYBY-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826282452 608434918 /nfs/dbraw/zinc/43/49/18/608434918.db2.gz PDTMFNOJPPTYBY-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM O=C(CC1CCCC1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826404041 608437266 /nfs/dbraw/zinc/43/72/66/608437266.db2.gz MBZVIICGTLLTCZ-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(CC1CCCC1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826404041 608437267 /nfs/dbraw/zinc/43/72/67/608437267.db2.gz MBZVIICGTLLTCZ-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM C[C@@H]1CC(Nc2ccc(Cl)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824892520 608444651 /nfs/dbraw/zinc/44/46/51/608444651.db2.gz JPACFVSDNXGIQS-RKDXNWHRSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@@H]1CC(Nc2ccc(Cl)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824892520 608444650 /nfs/dbraw/zinc/44/46/50/608444650.db2.gz JPACFVSDNXGIQS-RKDXNWHRSA-N -1 3 307.785 2.888 20 0 DFADHM CC(C(=O)OCc1cccc(-c2nnn[n-]2)c1F)=C1CCCC1 ZINC000824052551 608450428 /nfs/dbraw/zinc/45/04/28/608450428.db2.gz PEQXDRBJHBWOIQ-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM CC(C(=O)OCc1cccc(-c2nn[n-]n2)c1F)=C1CCCC1 ZINC000824052551 608450430 /nfs/dbraw/zinc/45/04/30/608450430.db2.gz PEQXDRBJHBWOIQ-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM C[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)C1CCCC1 ZINC000824052115 608450785 /nfs/dbraw/zinc/45/07/85/608450785.db2.gz LFGSQEPKYZBKLS-JTQLQIEISA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)C1CCCC1 ZINC000824052115 608450786 /nfs/dbraw/zinc/45/07/86/608450786.db2.gz LFGSQEPKYZBKLS-JTQLQIEISA-N -1 3 318.352 2.875 20 0 DFADHM CC(C)c1cnc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)o1 ZINC000824352766 608531933 /nfs/dbraw/zinc/53/19/33/608531933.db2.gz MKCGLPRXCQKMQW-UHFFFAOYSA-N -1 3 324.388 2.757 20 0 DFADHM CC(C)c1cnc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000824352766 608531935 /nfs/dbraw/zinc/53/19/35/608531935.db2.gz MKCGLPRXCQKMQW-UHFFFAOYSA-N -1 3 324.388 2.757 20 0 DFADHM CCN(Cc1occc1C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000825428571 608532204 /nfs/dbraw/zinc/53/22/04/608532204.db2.gz QGVMYUZXBOFGPB-UHFFFAOYSA-N -1 3 315.352 2.929 20 0 DFADHM CCN(Cc1occc1C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000825428571 608532207 /nfs/dbraw/zinc/53/22/07/608532207.db2.gz QGVMYUZXBOFGPB-UHFFFAOYSA-N -1 3 315.352 2.929 20 0 DFADHM CCOCc1ccc(CNc2nc(-c3nnn[n-]3)ccc2C)cc1 ZINC000825605007 608542378 /nfs/dbraw/zinc/54/23/78/608542378.db2.gz NFKZGQXQJDYCKG-UHFFFAOYSA-N -1 3 324.388 2.719 20 0 DFADHM Fc1ccc2c(c1)CCN(c1cccc(F)c1-c1nnn[n-]1)C2 ZINC000826375967 608560534 /nfs/dbraw/zinc/56/05/34/608560534.db2.gz JELOJMZCHAUMGR-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc2c(c1)CCN(c1cccc(F)c1-c1nn[n-]n1)C2 ZINC000826375967 608560535 /nfs/dbraw/zinc/56/05/35/608560535.db2.gz JELOJMZCHAUMGR-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM c1nn(-c2ccccc2)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000826519617 608567414 /nfs/dbraw/zinc/56/74/14/608567414.db2.gz GTEPGIGEWDXZPC-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM c1nn(-c2ccccc2)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000826519617 608567416 /nfs/dbraw/zinc/56/74/16/608567416.db2.gz GTEPGIGEWDXZPC-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM Cc1cc([C@H]2CCCN2Cc2cc(-c3nnn[n-]3)cs2)on1 ZINC000826265576 608601380 /nfs/dbraw/zinc/60/13/80/608601380.db2.gz FSWJYAACWQQVNB-GFCCVEGCSA-N -1 3 316.390 2.562 20 0 DFADHM Cc1cc([C@H]2CCCN2Cc2cc(-c3nn[n-]n3)cs2)on1 ZINC000826265576 608601381 /nfs/dbraw/zinc/60/13/81/608601381.db2.gz FSWJYAACWQQVNB-GFCCVEGCSA-N -1 3 316.390 2.562 20 0 DFADHM C[C@H]1c2c(F)cccc2CCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825019104 608704564 /nfs/dbraw/zinc/70/45/64/608704564.db2.gz CDPNUVWJCOEDNO-JTQLQIEISA-N -1 3 313.336 2.718 20 0 DFADHM C[C@H]1c2c(F)cccc2CCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825019104 608704566 /nfs/dbraw/zinc/70/45/66/608704566.db2.gz CDPNUVWJCOEDNO-JTQLQIEISA-N -1 3 313.336 2.718 20 0 DFADHM Cc1cccc([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC000826297317 608704847 /nfs/dbraw/zinc/70/48/47/608704847.db2.gz BNVUZGKTQBMPDP-AWEZNQCLSA-N -1 3 310.361 2.500 20 0 DFADHM CCc1cnc(CN(C)Cc2ccc(-c3nnn[n-]3)s2)s1 ZINC000825734258 608741043 /nfs/dbraw/zinc/74/10/43/608741043.db2.gz KOQCWYWHMJSRGK-UHFFFAOYSA-N -1 3 320.447 2.579 20 0 DFADHM CCN(CCNc1cnccc1-c1nnn[n-]1)c1cccc(C)c1 ZINC000825424249 608768455 /nfs/dbraw/zinc/76/84/55/608768455.db2.gz CNNWBUOHIJTLRM-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM CCN(CCNc1cnccc1-c1nn[n-]n1)c1cccc(C)c1 ZINC000825424249 608768457 /nfs/dbraw/zinc/76/84/57/608768457.db2.gz CNNWBUOHIJTLRM-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM CN(CCCCc1ccccc1)c1cnccc1-c1nnn[n-]1 ZINC000825919192 608774124 /nfs/dbraw/zinc/77/41/24/608774124.db2.gz XMTNACIZDQZAOL-UHFFFAOYSA-N -1 3 308.389 2.721 20 0 DFADHM CN(CCCCc1ccccc1)c1cnccc1-c1nn[n-]n1 ZINC000825919192 608774126 /nfs/dbraw/zinc/77/41/26/608774126.db2.gz XMTNACIZDQZAOL-UHFFFAOYSA-N -1 3 308.389 2.721 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cnccc1-c1nnn[n-]1 ZINC000824080400 608785830 /nfs/dbraw/zinc/78/58/30/608785830.db2.gz WJSYGRUXVCVZQW-BXUZGUMPSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cnccc1-c1nn[n-]n1 ZINC000824080400 608785832 /nfs/dbraw/zinc/78/58/32/608785832.db2.gz WJSYGRUXVCVZQW-BXUZGUMPSA-N -1 3 316.409 2.515 20 0 DFADHM c1c2ccccc2oc1CCNc1cnccc1-c1nnn[n-]1 ZINC000826523977 608788355 /nfs/dbraw/zinc/78/83/55/608788355.db2.gz DRFKBOHTWYWFNG-UHFFFAOYSA-N -1 3 306.329 2.663 20 0 DFADHM c1c2ccccc2oc1CCNc1cnccc1-c1nn[n-]n1 ZINC000826523977 608788356 /nfs/dbraw/zinc/78/83/56/608788356.db2.gz DRFKBOHTWYWFNG-UHFFFAOYSA-N -1 3 306.329 2.663 20 0 DFADHM C[C@@H]1[C@H](c2ccccc2)CCN1c1cnccc1-c1nnn[n-]1 ZINC000824857130 608788726 /nfs/dbraw/zinc/78/87/26/608788726.db2.gz BHMUYCWFAWGDOB-TZMCWYRMSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1[C@H](c2ccccc2)CCN1c1cnccc1-c1nn[n-]n1 ZINC000824857130 608788729 /nfs/dbraw/zinc/78/87/29/608788729.db2.gz BHMUYCWFAWGDOB-TZMCWYRMSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1cnccc1-c1nnn[n-]1 ZINC000824857129 608789033 /nfs/dbraw/zinc/78/90/33/608789033.db2.gz BHMUYCWFAWGDOB-OCCSQVGLSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1cnccc1-c1nn[n-]n1 ZINC000824857129 608789034 /nfs/dbraw/zinc/78/90/34/608789034.db2.gz BHMUYCWFAWGDOB-OCCSQVGLSA-N -1 3 306.373 2.644 20 0 DFADHM c1ccc2c(c1)CCS[C@@H]2CNc1cnccc1-c1nnn[n-]1 ZINC000826523530 608790954 /nfs/dbraw/zinc/79/09/54/608790954.db2.gz PMVVHWGGOJRKHJ-OAHLLOKOSA-N -1 3 324.413 2.704 20 0 DFADHM c1ccc2c(c1)CCS[C@@H]2CNc1cnccc1-c1nn[n-]n1 ZINC000826523530 608790956 /nfs/dbraw/zinc/79/09/56/608790956.db2.gz PMVVHWGGOJRKHJ-OAHLLOKOSA-N -1 3 324.413 2.704 20 0 DFADHM CSc1cc(C)ccc1CNc1cnccc1-c1nnn[n-]1 ZINC000826230196 608792034 /nfs/dbraw/zinc/79/20/34/608792034.db2.gz IRNVMGOWICARMF-UHFFFAOYSA-N -1 3 312.402 2.904 20 0 DFADHM CSc1cc(C)ccc1CNc1cnccc1-c1nn[n-]n1 ZINC000826230196 608792037 /nfs/dbraw/zinc/79/20/37/608792037.db2.gz IRNVMGOWICARMF-UHFFFAOYSA-N -1 3 312.402 2.904 20 0 DFADHM Clc1nn(Cc2ccccc2-c2nnn[n-]2)c2ccccc12 ZINC000826353888 608799028 /nfs/dbraw/zinc/79/90/28/608799028.db2.gz HUUPBBLYFPVMLU-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM Clc1nn(Cc2ccccc2-c2nn[n-]n2)c2ccccc12 ZINC000826353888 608799029 /nfs/dbraw/zinc/79/90/29/608799029.db2.gz HUUPBBLYFPVMLU-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM FC(F)(F)CSCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000826367999 608800086 /nfs/dbraw/zinc/80/00/86/608800086.db2.gz XWLIXIJIVSBTGN-UHFFFAOYSA-N -1 3 303.313 2.574 20 0 DFADHM Cc1c(F)cccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826240735 608860383 /nfs/dbraw/zinc/86/03/83/608860383.db2.gz FXQHUZOJKVIAHQ-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1c(F)cccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826240735 608860388 /nfs/dbraw/zinc/86/03/88/608860388.db2.gz FXQHUZOJKVIAHQ-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1C ZINC000826299614 608861415 /nfs/dbraw/zinc/86/14/15/608861415.db2.gz MTCOWBUKGUQXMD-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1C ZINC000826299614 608861418 /nfs/dbraw/zinc/86/14/18/608861418.db2.gz MTCOWBUKGUQXMD-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM CON(Cc1ccccc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826166538 609142877 /nfs/dbraw/zinc/14/28/77/609142877.db2.gz PIOIDLBTUKIGOZ-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CON(Cc1ccccc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826166538 609142880 /nfs/dbraw/zinc/14/28/80/609142880.db2.gz PIOIDLBTUKIGOZ-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM C[C@H](OC(=O)C(C)(Cl)Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000824706899 609233716 /nfs/dbraw/zinc/23/37/16/609233716.db2.gz LKSOVDPTRQQUQE-ZETCQYMHSA-N -1 3 315.160 2.665 20 0 DFADHM C[C@H](OC(=O)C(C)(Cl)Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000824706899 609233718 /nfs/dbraw/zinc/23/37/18/609233718.db2.gz LKSOVDPTRQQUQE-ZETCQYMHSA-N -1 3 315.160 2.665 20 0 DFADHM C[C@@H](Nc1ccn(CC(F)F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662398 609243351 /nfs/dbraw/zinc/24/33/51/609243351.db2.gz JGQIOULITRQNRM-SECBINFHSA-N -1 3 319.319 2.501 20 0 DFADHM C[C@@H](Nc1ccn(CC(F)F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662398 609243352 /nfs/dbraw/zinc/24/33/52/609243352.db2.gz JGQIOULITRQNRM-SECBINFHSA-N -1 3 319.319 2.501 20 0 DFADHM CC(C)Cn1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000824280146 609252600 /nfs/dbraw/zinc/25/26/00/609252600.db2.gz DSHSDSCGYFRQIG-LBPRGKRZSA-N -1 3 311.393 2.892 20 0 DFADHM CC(C)Cn1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000824280146 609252601 /nfs/dbraw/zinc/25/26/01/609252601.db2.gz DSHSDSCGYFRQIG-LBPRGKRZSA-N -1 3 311.393 2.892 20 0 DFADHM C[C@H](Nc1ccc2c(c1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824658077 609274288 /nfs/dbraw/zinc/27/42/88/609274288.db2.gz VBITWISSMWWPSZ-NSHDSACASA-N -1 3 323.356 2.811 20 0 DFADHM C[C@H](Nc1ccc2c(c1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824658077 609274291 /nfs/dbraw/zinc/27/42/91/609274291.db2.gz VBITWISSMWWPSZ-NSHDSACASA-N -1 3 323.356 2.811 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2cc(F)ccc12 ZINC000826456370 609287097 /nfs/dbraw/zinc/28/70/97/609287097.db2.gz ADBLKSFYXVJGRV-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2cc(F)ccc12 ZINC000826456370 609287099 /nfs/dbraw/zinc/28/70/99/609287099.db2.gz ADBLKSFYXVJGRV-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM Cc1nnc(SCCCOC(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000826336821 609305899 /nfs/dbraw/zinc/30/58/99/609305899.db2.gz OWZYJLBPRRDVTB-UHFFFAOYSA-N -1 3 322.438 2.571 20 0 DFADHM Cc1nnc(SCCCOC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000826336821 609305900 /nfs/dbraw/zinc/30/59/00/609305900.db2.gz OWZYJLBPRRDVTB-UHFFFAOYSA-N -1 3 322.438 2.571 20 0 DFADHM Cc1nnc(SC[C@H](C)C(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000826336596 609308169 /nfs/dbraw/zinc/30/81/69/609308169.db2.gz FIORDCFCJOODTA-YFKPBYRVSA-N -1 3 318.328 2.564 20 0 DFADHM Cc1nnc(SC[C@H](C)C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000826336596 609308171 /nfs/dbraw/zinc/30/81/71/609308171.db2.gz FIORDCFCJOODTA-YFKPBYRVSA-N -1 3 318.328 2.564 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1ccc(Cl)cn1 ZINC000826372496 609311250 /nfs/dbraw/zinc/31/12/50/609311250.db2.gz ZFNMSURBVVBHSU-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1ccc(Cl)cn1 ZINC000826372496 609311253 /nfs/dbraw/zinc/31/12/53/609311253.db2.gz ZFNMSURBVVBHSU-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM COCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)o1 ZINC000826155040 609322933 /nfs/dbraw/zinc/32/29/33/609322933.db2.gz DOXHGBIMYAUTFF-CQSZACIVSA-N -1 3 313.361 2.958 20 0 DFADHM Cc1csc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826321083 609325505 /nfs/dbraw/zinc/32/55/05/609325505.db2.gz PPYYBVWYMASTSE-SECBINFHSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1csc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826321083 609325507 /nfs/dbraw/zinc/32/55/07/609325507.db2.gz PPYYBVWYMASTSE-SECBINFHSA-N -1 3 318.381 2.622 20 0 DFADHM CCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825565266 609351012 /nfs/dbraw/zinc/35/10/12/609351012.db2.gz PNWVEVWCWSEFHQ-UHFFFAOYSA-N -1 3 310.313 2.836 20 0 DFADHM CCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825565266 609351014 /nfs/dbraw/zinc/35/10/14/609351014.db2.gz PNWVEVWCWSEFHQ-UHFFFAOYSA-N -1 3 310.313 2.836 20 0 DFADHM O=C(NC1CC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826428547 609365180 /nfs/dbraw/zinc/36/51/80/609365180.db2.gz FAVLMIOJKGLWPM-UHFFFAOYSA-N -1 3 321.340 2.551 20 0 DFADHM O=C(NC1CC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826428547 609365182 /nfs/dbraw/zinc/36/51/82/609365182.db2.gz FAVLMIOJKGLWPM-UHFFFAOYSA-N -1 3 321.340 2.551 20 0 DFADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCC1CCCCCC1 ZINC000826421903 609366514 /nfs/dbraw/zinc/36/65/14/609366514.db2.gz FDXFISUUSSTICV-UHFFFAOYSA-N -1 3 314.389 2.923 20 0 DFADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCC1CCCCCC1 ZINC000826421903 609366516 /nfs/dbraw/zinc/36/65/16/609366516.db2.gz FDXFISUUSSTICV-UHFFFAOYSA-N -1 3 314.389 2.923 20 0 DFADHM C[C@@H](Nc1cccc(CCCO)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824663297 609374612 /nfs/dbraw/zinc/37/46/12/609374612.db2.gz XVIZDIYHAWOYDA-CYBMUJFWSA-N -1 3 323.400 2.965 20 0 DFADHM C[C@@H](Nc1cccc(CCCO)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824663297 609374615 /nfs/dbraw/zinc/37/46/15/609374615.db2.gz XVIZDIYHAWOYDA-CYBMUJFWSA-N -1 3 323.400 2.965 20 0 DFADHM COCCC[C@H](C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826155618 609386765 /nfs/dbraw/zinc/38/67/65/609386765.db2.gz WHFWIBNXLJSYQR-NWDGAFQWSA-N -1 3 318.377 2.534 20 0 DFADHM COCCC[C@H](C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826155618 609386767 /nfs/dbraw/zinc/38/67/67/609386767.db2.gz WHFWIBNXLJSYQR-NWDGAFQWSA-N -1 3 318.377 2.534 20 0 DFADHM C[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824472880 609391654 /nfs/dbraw/zinc/39/16/54/609391654.db2.gz XOKXNFVTYDCDSI-SMDDNHRTSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824472880 609391656 /nfs/dbraw/zinc/39/16/56/609391656.db2.gz XOKXNFVTYDCDSI-SMDDNHRTSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824915561 609396825 /nfs/dbraw/zinc/39/68/25/609396825.db2.gz GLDBYCVDWQZONY-YVEFUNNKSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824915561 609396828 /nfs/dbraw/zinc/39/68/28/609396828.db2.gz GLDBYCVDWQZONY-YVEFUNNKSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3sccc3-c3nnn[n-]3)C2)C1 ZINC000824918370 609396896 /nfs/dbraw/zinc/39/68/96/609396896.db2.gz PRLYASBGAHDDJB-ZUZCIYMTSA-N -1 3 317.418 2.581 20 0 DFADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3sccc3-c3nn[n-]n3)C2)C1 ZINC000824918370 609396898 /nfs/dbraw/zinc/39/68/98/609396898.db2.gz PRLYASBGAHDDJB-ZUZCIYMTSA-N -1 3 317.418 2.581 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000824014206 609422417 /nfs/dbraw/zinc/42/24/17/609422417.db2.gz DVELQRFAHWTHMC-KBPBESRZSA-N -1 3 311.389 2.696 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000824014206 609422418 /nfs/dbraw/zinc/42/24/18/609422418.db2.gz DVELQRFAHWTHMC-KBPBESRZSA-N -1 3 311.389 2.696 20 0 DFADHM CCOC(=O)[C@H](CC(C)C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000825486206 609448243 /nfs/dbraw/zinc/44/82/43/609448243.db2.gz OBNTWHWEWQGIFH-ZDUSSCGKSA-N -1 3 320.418 2.937 20 0 DFADHM CCOC(=O)[C@H](CC(C)C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000825486206 609448245 /nfs/dbraw/zinc/44/82/45/609448245.db2.gz OBNTWHWEWQGIFH-ZDUSSCGKSA-N -1 3 320.418 2.937 20 0 DFADHM CC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823967271 609452016 /nfs/dbraw/zinc/45/20/16/609452016.db2.gz KXEHIKXUZREKBL-ZETCQYMHSA-N -1 3 316.308 2.955 20 0 DFADHM CC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823967271 609452019 /nfs/dbraw/zinc/45/20/19/609452019.db2.gz KXEHIKXUZREKBL-ZETCQYMHSA-N -1 3 316.308 2.955 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC1CCSCC1 ZINC000825625998 609475409 /nfs/dbraw/zinc/47/54/09/609475409.db2.gz FOTLIKALCZAURS-UHFFFAOYSA-N -1 3 305.407 2.573 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC1CCSCC1 ZINC000825625998 609475406 /nfs/dbraw/zinc/47/54/06/609475406.db2.gz FOTLIKALCZAURS-UHFFFAOYSA-N -1 3 305.407 2.573 20 0 DFADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826231998 609479117 /nfs/dbraw/zinc/47/91/17/609479117.db2.gz BKLBRNFTVCDHFM-ZDUSSCGKSA-N -1 3 321.384 2.629 20 0 DFADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826231998 609479118 /nfs/dbraw/zinc/47/91/18/609479118.db2.gz BKLBRNFTVCDHFM-ZDUSSCGKSA-N -1 3 321.384 2.629 20 0 DFADHM COc1ccsc1CNc1cc(-c2nnn[n-]2)ccc1OC ZINC000826186729 609483641 /nfs/dbraw/zinc/48/36/41/609483641.db2.gz IJTJBUXNMHVZQE-UHFFFAOYSA-N -1 3 317.374 2.558 20 0 DFADHM COc1ccsc1CNc1cc(-c2nn[n-]n2)ccc1OC ZINC000826186729 609483643 /nfs/dbraw/zinc/48/36/43/609483643.db2.gz IJTJBUXNMHVZQE-UHFFFAOYSA-N -1 3 317.374 2.558 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccccc1 ZINC000826277974 609500039 /nfs/dbraw/zinc/50/00/39/609500039.db2.gz NMWMNPCTHWKONQ-GFCCVEGCSA-N -1 3 307.357 2.917 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccccc1 ZINC000826277974 609500040 /nfs/dbraw/zinc/50/00/40/609500040.db2.gz NMWMNPCTHWKONQ-GFCCVEGCSA-N -1 3 307.357 2.917 20 0 DFADHM Fc1ccc2[nH]c(-c3ccc(-c4nnn[n-]4)cc3F)nc2c1F ZINC000826371461 609505565 /nfs/dbraw/zinc/50/55/65/609505565.db2.gz HCVQCYLKWBBULX-UHFFFAOYSA-N -1 3 316.246 2.827 20 0 DFADHM Fc1ccc2[nH]c(-c3ccc(-c4nn[n-]n4)cc3F)nc2c1F ZINC000826371461 609505566 /nfs/dbraw/zinc/50/55/66/609505566.db2.gz HCVQCYLKWBBULX-UHFFFAOYSA-N -1 3 316.246 2.827 20 0 DFADHM C[C@H]1CC(C(=O)Nc2sccc2-c2nnn[n-]2)C[C@H](C)C1 ZINC000824875700 609507753 /nfs/dbraw/zinc/50/77/53/609507753.db2.gz NUADHQAZDJVCCP-RKDXNWHRSA-N -1 3 305.407 2.939 20 0 DFADHM C[C@H]1CC(C(=O)Nc2sccc2-c2nn[n-]n2)C[C@H](C)C1 ZINC000824875700 609507755 /nfs/dbraw/zinc/50/77/55/609507755.db2.gz NUADHQAZDJVCCP-RKDXNWHRSA-N -1 3 305.407 2.939 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826231522 609507896 /nfs/dbraw/zinc/50/78/96/609507896.db2.gz OURZJSHFBNZWNF-GFCCVEGCSA-N -1 3 307.357 2.633 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826231522 609507899 /nfs/dbraw/zinc/50/78/99/609507899.db2.gz OURZJSHFBNZWNF-GFCCVEGCSA-N -1 3 307.357 2.633 20 0 DFADHM c1cc(-c2nn[n-]n2)ccc1OCCCS[C@@H]1CCCOC1 ZINC000826514643 609527258 /nfs/dbraw/zinc/52/72/58/609527258.db2.gz XPXYACLHEQOLKJ-CQSZACIVSA-N -1 3 320.418 2.548 20 0 DFADHM CSCCCCCCNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826228257 609534260 /nfs/dbraw/zinc/53/42/60/609534260.db2.gz JRFBMOOYKFTDLX-UHFFFAOYSA-N -1 3 319.434 2.520 20 0 DFADHM CSCCCCCCNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826228257 609534263 /nfs/dbraw/zinc/53/42/63/609534263.db2.gz JRFBMOOYKFTDLX-UHFFFAOYSA-N -1 3 319.434 2.520 20 0 DFADHM CCOc1ccc(CNc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000825638315 609539760 /nfs/dbraw/zinc/53/97/60/609539760.db2.gz JNNLTBZTSCEKKA-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1ccc(CNc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000825638315 609539761 /nfs/dbraw/zinc/53/97/61/609539761.db2.gz JNNLTBZTSCEKKA-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM Cc1ccnc(N2CC[C@@H](c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826309958 609542868 /nfs/dbraw/zinc/54/28/68/609542868.db2.gz HMMPZJIMJHQRQJ-CQSZACIVSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccnc(N2CC[C@@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826309958 609542870 /nfs/dbraw/zinc/54/28/70/609542870.db2.gz HMMPZJIMJHQRQJ-CQSZACIVSA-N -1 3 306.373 2.564 20 0 DFADHM CC(C)CCn1ccc(Nc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824249669 609553299 /nfs/dbraw/zinc/55/32/99/609553299.db2.gz RASNQRGZVYAKJC-UHFFFAOYSA-N -1 3 315.356 2.992 20 0 DFADHM CC(C)CCn1ccc(Nc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824249669 609553301 /nfs/dbraw/zinc/55/33/01/609553301.db2.gz RASNQRGZVYAKJC-UHFFFAOYSA-N -1 3 315.356 2.992 20 0 DFADHM Cc1ccnc(N(C)[C@H]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826309600 609554239 /nfs/dbraw/zinc/55/42/39/609554239.db2.gz VGIFYLRDJIHMBX-HNNXBMFYSA-N -1 3 320.400 2.564 20 0 DFADHM Cc1ccnc(N(C)[C@H]2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826309600 609554241 /nfs/dbraw/zinc/55/42/41/609554241.db2.gz VGIFYLRDJIHMBX-HNNXBMFYSA-N -1 3 320.400 2.564 20 0 DFADHM CS[C@@H]1CCC[C@H](Nc2nccc(C)c2-c2nnn[n-]2)C1 ZINC000826227734 609554976 /nfs/dbraw/zinc/55/49/76/609554976.db2.gz WQRAMUNRDQWIKZ-WDEREUQCSA-N -1 3 304.423 2.656 20 0 DFADHM CS[C@@H]1CCC[C@H](Nc2nccc(C)c2-c2nn[n-]n2)C1 ZINC000826227734 609554977 /nfs/dbraw/zinc/55/49/77/609554977.db2.gz WQRAMUNRDQWIKZ-WDEREUQCSA-N -1 3 304.423 2.656 20 0 DFADHM CC[C@@H](c1ccncc1)N(C)c1nccc(C)c1-c1nnn[n-]1 ZINC000825158897 609556082 /nfs/dbraw/zinc/55/60/82/609556082.db2.gz DMABOXVRULTVHK-ZDUSSCGKSA-N -1 3 309.377 2.553 20 0 DFADHM CC[C@@H](c1ccncc1)N(C)c1nccc(C)c1-c1nn[n-]n1 ZINC000825158897 609556083 /nfs/dbraw/zinc/55/60/83/609556083.db2.gz DMABOXVRULTVHK-ZDUSSCGKSA-N -1 3 309.377 2.553 20 0 DFADHM CCC[C@H]1[C@H](C)CCCN1c1nccc(C)c1-c1nnn[n-]1 ZINC000825254827 609569986 /nfs/dbraw/zinc/56/99/86/609569986.db2.gz VCSCGSUANPKKLO-YPMHNXCESA-N -1 3 300.410 2.975 20 0 DFADHM CCC[C@H]1[C@H](C)CCCN1c1nccc(C)c1-c1nn[n-]n1 ZINC000825254827 609569988 /nfs/dbraw/zinc/56/99/88/609569988.db2.gz VCSCGSUANPKKLO-YPMHNXCESA-N -1 3 300.410 2.975 20 0 DFADHM Cc1ccnc(N2CC[C@@H](c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826310228 609573784 /nfs/dbraw/zinc/57/37/84/609573784.db2.gz PHHIXTBKOXQHRA-CYBMUJFWSA-N -1 3 324.363 2.703 20 0 DFADHM Cc1ccnc(N2CC[C@@H](c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826310228 609573787 /nfs/dbraw/zinc/57/37/87/609573787.db2.gz PHHIXTBKOXQHRA-CYBMUJFWSA-N -1 3 324.363 2.703 20 0 DFADHM COCCC1(CNc2nccc(C)c2-c2nnn[n-]2)CCCC1 ZINC000826154937 609576613 /nfs/dbraw/zinc/57/66/13/609576613.db2.gz AXTABBDEDLRZOM-UHFFFAOYSA-N -1 3 316.409 2.579 20 0 DFADHM COCCC1(CNc2nccc(C)c2-c2nn[n-]n2)CCCC1 ZINC000826154937 609576614 /nfs/dbraw/zinc/57/66/14/609576614.db2.gz AXTABBDEDLRZOM-UHFFFAOYSA-N -1 3 316.409 2.579 20 0 DFADHM Cc1ccnc(NC2(C)Cc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826312265 609584846 /nfs/dbraw/zinc/58/48/46/609584846.db2.gz ZRLWEXKRIRZJEZ-UHFFFAOYSA-N -1 3 306.373 2.540 20 0 DFADHM Cc1ccnc(NC2(C)Cc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826312265 609584849 /nfs/dbraw/zinc/58/48/49/609584849.db2.gz ZRLWEXKRIRZJEZ-UHFFFAOYSA-N -1 3 306.373 2.540 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825053005 609589006 /nfs/dbraw/zinc/58/90/06/609589006.db2.gz ZKONGUNAFVJHSG-NEPJUHHUSA-N -1 3 301.394 2.902 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825053005 609589008 /nfs/dbraw/zinc/58/90/08/609589008.db2.gz ZKONGUNAFVJHSG-NEPJUHHUSA-N -1 3 301.394 2.902 20 0 DFADHM C[C@H]1C[C@@H](CCNc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824885336 609596094 /nfs/dbraw/zinc/59/60/94/609596094.db2.gz RXQHBOGWUUFNSG-QWRGUYRKSA-N -1 3 305.357 2.623 20 0 DFADHM CC(C)(C)[C@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000824080091 609602012 /nfs/dbraw/zinc/60/20/12/609602012.db2.gz UINSZDQUOVMYPQ-LBPRGKRZSA-N -1 3 312.421 2.623 20 0 DFADHM CC(C)(C)[C@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000824080091 609602015 /nfs/dbraw/zinc/60/20/15/609602015.db2.gz UINSZDQUOVMYPQ-LBPRGKRZSA-N -1 3 312.421 2.623 20 0 DFADHM CC(C)(C)CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824080460 609612965 /nfs/dbraw/zinc/61/29/65/609612965.db2.gz XSOJBRCZRMTDQF-UHFFFAOYSA-N -1 3 308.769 3.000 20 0 DFADHM CC(C)(C)CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824080460 609612966 /nfs/dbraw/zinc/61/29/66/609612966.db2.gz XSOJBRCZRMTDQF-UHFFFAOYSA-N -1 3 308.769 3.000 20 0 DFADHM CC(C)CCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824243666 609613128 /nfs/dbraw/zinc/61/31/28/609613128.db2.gz LPWUDKKUVUWQIN-UHFFFAOYSA-N -1 3 308.769 3.000 20 0 DFADHM CC(C)CCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 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CCc1cccc(C(=O)NCc2ccc([S@](C)=O)cc2)c1[O-] ZINC000081808883 398371492 /nfs/dbraw/zinc/37/14/92/398371492.db2.gz RQFZNOUZXZANQM-JOCHJYFZSA-N -1 3 317.410 2.622 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC000088431944 185249776 /nfs/dbraw/zinc/24/97/76/185249776.db2.gz ZTEMPDNEFHEDEM-UHFFFAOYSA-N -1 3 303.280 2.815 20 0 DFADHM O=c1cc(CN2CCS[C@@H]3CCCC[C@@H]32)nc(C2CC2)[n-]1 ZINC000459346757 299085270 /nfs/dbraw/zinc/08/52/70/299085270.db2.gz QITGDPPOUVCBAH-UONOGXRCSA-N -1 3 305.447 2.920 20 0 DFADHM CCCn1c(=O)[n-]nc1SCCOc1ccccc1C(C)=O ZINC000010438558 398377498 /nfs/dbraw/zinc/37/74/98/398377498.db2.gz QBFMPNHSTXPFDO-UHFFFAOYSA-N -1 3 321.402 2.767 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(CCCO)CC1 ZINC000272834150 210233252 /nfs/dbraw/zinc/23/32/52/210233252.db2.gz MUAZHJUYRVEEPP-UHFFFAOYSA-N -1 3 314.385 2.565 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCCS2)c([O-])c1 ZINC000272830152 210229300 /nfs/dbraw/zinc/22/93/00/210229300.db2.gz FHCZJHLHYBSIQC-ZDUSSCGKSA-N -1 3 309.387 2.793 20 0 DFADHM O=c1cc(CN2CCC[C@@H]2c2ncc[nH]2)nc(-c2ccccc2)[n-]1 ZINC000459375017 299090730 /nfs/dbraw/zinc/09/07/30/299090730.db2.gz PUBRIPBUUBLHHH-OAHLLOKOSA-N -1 3 321.384 2.909 20 0 DFADHM [O-]c1cccc(CN2CCOC[C@@H]2C2CC2)c1Br ZINC000459374453 299090972 /nfs/dbraw/zinc/09/09/72/299090972.db2.gz LQGXYQOPUDCHFD-GFCCVEGCSA-N -1 3 312.207 2.766 20 0 DFADHM CN1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000459384437 299092503 /nfs/dbraw/zinc/09/25/03/299092503.db2.gz WCBBHSQUOQMPMP-UHFFFAOYSA-N -1 3 310.401 2.906 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H](CCCO)c2ccccc2)c1 ZINC000092757879 185338466 /nfs/dbraw/zinc/33/84/66/185338466.db2.gz HGDQLRGNJGEVDD-MRXNPFEDSA-N -1 3 315.369 2.644 20 0 DFADHM CN(Cc1nc2ccccc2n1C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459398296 299095973 /nfs/dbraw/zinc/09/59/73/299095973.db2.gz YMWSIJQDEBMBPQ-UHFFFAOYSA-N -1 3 323.400 2.578 20 0 DFADHM CC[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000459403847 299097340 /nfs/dbraw/zinc/09/73/40/299097340.db2.gz 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CN(C)C(=O)c1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000028509921 398474550 /nfs/dbraw/zinc/47/45/50/398474550.db2.gz NYATTZLLVWBDNH-UHFFFAOYSA-N -1 3 324.340 2.624 20 0 DFADHM CN(C)C(=O)c1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000028509921 398474552 /nfs/dbraw/zinc/47/45/52/398474552.db2.gz NYATTZLLVWBDNH-UHFFFAOYSA-N -1 3 324.340 2.624 20 0 DFADHM O=S(=O)([N-]c1ccc(F)cc1OC(F)F)N1CCCCC1 ZINC000330897083 232145303 /nfs/dbraw/zinc/14/53/03/232145303.db2.gz LZUGPVHWGMTIOM-UHFFFAOYSA-N -1 3 324.324 2.570 20 0 DFADHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000048907317 282387072 /nfs/dbraw/zinc/38/70/72/282387072.db2.gz DLLHADZABWTYRE-LBPRGKRZSA-N -1 3 311.428 2.802 20 0 DFADHM Cc1cccc(CCCNC(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000286768306 219155860 /nfs/dbraw/zinc/15/58/60/219155860.db2.gz GJOOVVPZBUGUSS-UHFFFAOYSA-N -1 3 317.364 2.667 20 0 DFADHM CC[C@]1(O)CCN(Cc2cccc([O-])c2Br)C1 ZINC000459491401 299119750 /nfs/dbraw/zinc/11/97/50/299119750.db2.gz LZTMTDIJIKDULP-ZDUSSCGKSA-N -1 3 300.196 2.502 20 0 DFADHM CC[C@](C)(OC)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588097054 398482475 /nfs/dbraw/zinc/48/24/75/398482475.db2.gz UXICLQRJKGMTJE-AWEZNQCLSA-N -1 3 315.753 2.586 20 0 DFADHM CCO[C@@H](CC)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588098022 398482486 /nfs/dbraw/zinc/48/24/86/398482486.db2.gz AIFXOSOINPTQDO-NSHDSACASA-N -1 3 315.753 2.586 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2CCSC2)c1[O-] ZINC000588096948 398482099 /nfs/dbraw/zinc/48/20/99/398482099.db2.gz RHOAKWYSOCERHX-ZETCQYMHSA-N -1 3 315.778 2.524 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccnc(C)c2)c1[O-] ZINC000588098980 398482186 /nfs/dbraw/zinc/48/21/86/398482186.db2.gz CUWZZNBPXLASCX-UHFFFAOYSA-N -1 3 320.732 2.788 20 0 DFADHM CCc1nc(C(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])co1 ZINC000588096173 398482238 /nfs/dbraw/zinc/48/22/38/398482238.db2.gz UCSMCQRMNZNJIJ-UHFFFAOYSA-N -1 3 324.720 2.635 20 0 DFADHM CCc1nc(C(=O)[N-]c2cc(Cl)cc(C(=O)OC)c2O)co1 ZINC000588096173 398482241 /nfs/dbraw/zinc/48/22/41/398482241.db2.gz UCSMCQRMNZNJIJ-UHFFFAOYSA-N -1 3 324.720 2.635 20 0 DFADHM CCOCCCC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588098688 398482410 /nfs/dbraw/zinc/48/24/10/398482410.db2.gz YHUMDQQTYOQEBV-UHFFFAOYSA-N -1 3 315.753 2.587 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cccnc1 ZINC000330953002 232212788 /nfs/dbraw/zinc/21/27/88/232212788.db2.gz LDOVWSWTXAXTPR-JQWIXIFHSA-N -1 3 322.352 2.729 20 0 DFADHM CCOc1ccc(-c2nc(C(=O)[N-]c3nc[nH]n3)cs2)cc1 ZINC000029666888 398489822 /nfs/dbraw/zinc/48/98/22/398489822.db2.gz SOACSGIOVRHBGK-UHFFFAOYSA-N -1 3 315.358 2.579 20 0 DFADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)[C@@H](C)CN1C ZINC000459523595 299125226 /nfs/dbraw/zinc/12/52/26/299125226.db2.gz IPQFKEOVNMVVEB-MNOVXSKESA-N -1 3 313.239 2.679 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccon2)sc1Cl ZINC000331023564 232358268 /nfs/dbraw/zinc/35/82/68/232358268.db2.gz MKVCCUPKECFPPA-SSDOTTSWSA-N -1 3 306.796 2.737 20 0 DFADHM Cc1cc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)ccc1[O-] ZINC000272697541 210102864 /nfs/dbraw/zinc/10/28/64/210102864.db2.gz VMFIIDRUOYLDDP-UHFFFAOYSA-N -1 3 301.346 2.570 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000331030028 232379375 /nfs/dbraw/zinc/37/93/75/232379375.db2.gz YMXKBSDAMYLHMD-VHSXEESVSA-N -1 3 302.296 2.772 20 0 DFADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)OC(C)(C)C ZINC000592898003 398506625 /nfs/dbraw/zinc/50/66/25/398506625.db2.gz UPHVVHMHZXVMCR-LBPRGKRZSA-N -1 3 313.781 2.896 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C(C)(C)O)sc1Cl ZINC000235771731 201922004 /nfs/dbraw/zinc/92/20/04/201922004.db2.gz ZPKLGIDYJMZQPF-UHFFFAOYSA-N -1 3 311.856 2.538 20 0 DFADHM Cc1nc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cs1 ZINC000588783318 398508038 /nfs/dbraw/zinc/50/80/38/398508038.db2.gz OESROURSLGURGH-UHFFFAOYSA-N -1 3 318.398 2.801 20 0 DFADHM Cc1nn(C)c(C[N-]c2nc(C(C)C)no2)c1Br ZINC000279625524 215014284 /nfs/dbraw/zinc/01/42/84/215014284.db2.gz UDEPEGQTSQQPTG-UHFFFAOYSA-N -1 3 314.187 2.610 20 0 DFADHM CCN(CCSC)C(=O)c1c[n-]c2c(C)cccc2c1=O 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CC(C)c1nnc([C@@H]2CN(Cc3cc([O-])cc(F)c3)CCO2)o1 ZINC000279648186 215031115 /nfs/dbraw/zinc/03/11/15/215031115.db2.gz KEFLGAYGMZNKRZ-AWEZNQCLSA-N -1 3 321.352 2.611 20 0 DFADHM COC(=O)c1c(C)csc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000589039888 398523095 /nfs/dbraw/zinc/52/30/95/398523095.db2.gz WJIYEVXKSSDAIZ-UHFFFAOYSA-N -1 3 306.343 2.961 20 0 DFADHM COC[C@H](NCc1cccc([O-])c1Br)C(C)C ZINC000315019777 398523425 /nfs/dbraw/zinc/52/34/25/398523425.db2.gz LDIQXEMTIUGDKL-NSHDSACASA-N -1 3 302.212 2.915 20 0 DFADHM O=c1[n-]nc(SC/C=C/c2ccccc2)n1C[C@@H]1CCCO1 ZINC000068904501 282496545 /nfs/dbraw/zinc/49/65/45/282496545.db2.gz BGYQDZQLLRZWKT-GPAKFWEMSA-N -1 3 317.414 2.556 20 0 DFADHM [O-]c1cccc(CN2CC[C@H](CCCO)C2)c1Br ZINC000459562168 299135033 /nfs/dbraw/zinc/13/50/33/299135033.db2.gz OGIGSSJSPNMYGM-NSHDSACASA-N -1 3 314.223 2.749 20 0 DFADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000070939478 282507329 /nfs/dbraw/zinc/50/73/29/282507329.db2.gz RTTJDESITXBPAQ-SECBINFHSA-N -1 3 300.380 2.630 20 0 DFADHM O=S(=O)([N-]Cc1ccc[nH]1)c1cc(C(F)(F)F)ccc1F ZINC000072714118 282514743 /nfs/dbraw/zinc/51/47/43/282514743.db2.gz DJMBFOIFPYHANK-UHFFFAOYSA-N -1 3 322.283 2.651 20 0 DFADHM Cc1c(NC(=O)[N-]OCC(C)C)cccc1NC(=O)N(C)C ZINC000279673569 215051670 /nfs/dbraw/zinc/05/16/70/215051670.db2.gz LYPIVJNLWACLMK-UHFFFAOYSA-N -1 3 308.382 2.798 20 0 DFADHM [O-]c1cccc(CN2CCC[C@@H](O)CC2)c1Br ZINC000459574898 299137866 /nfs/dbraw/zinc/13/78/66/299137866.db2.gz UMZDWDPVFYSEAM-LLVKDONJSA-N -1 3 300.196 2.502 20 0 DFADHM CC(C)(C)c1nc(C=Cc2cn(C(C)(C)C)nn2)cc(=O)[n-]1 ZINC000414072435 295763920 /nfs/dbraw/zinc/76/39/20/295763920.db2.gz LKHYEFPNLQBMLP-BQYQJAHWSA-N -1 3 301.394 2.997 20 0 DFADHM C[C@H](CC(=O)Nc1ncccc1[O-])C(=O)c1cccc(F)c1 ZINC000074823651 282543375 /nfs/dbraw/zinc/54/33/75/282543375.db2.gz CZWWFMNGSFTNDH-SNVBAGLBSA-N -1 3 302.305 2.774 20 0 DFADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356452989 303997135 /nfs/dbraw/zinc/99/71/35/303997135.db2.gz AYOIZILUCAKZGT-AXTRIDKLSA-N -1 3 301.264 2.775 20 0 DFADHM [O-]c1cccc(CN2CC(OCC(F)F)C2)c1Br ZINC000459591510 299142789 /nfs/dbraw/zinc/14/27/89/299142789.db2.gz LGUGCCMFBQDVHU-UHFFFAOYSA-N -1 3 322.149 2.621 20 0 DFADHM CCN(C)C(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000272607649 210006521 /nfs/dbraw/zinc/00/65/21/210006521.db2.gz MXDVWYSFKOXWNX-AATRIKPKSA-N -1 3 314.179 2.655 20 0 DFADHM Cn1cnc(S(=O)(=O)[N-][C@H](CC(C)(C)C)c2ccccc2)c1 ZINC000069111801 398550470 /nfs/dbraw/zinc/55/04/70/398550470.db2.gz GIVDNNXLZRGNHG-CQSZACIVSA-N -1 3 321.446 2.876 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCSC1)c1cccc(Cl)c1F ZINC000279761153 215123102 /nfs/dbraw/zinc/12/31/02/215123102.db2.gz MFSVTEPXVYGYEY-QMMMGPOBSA-N -1 3 309.815 2.511 20 0 DFADHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc2c(c1)OCCO2 ZINC000321064128 398551931 /nfs/dbraw/zinc/55/19/31/398551931.db2.gz ZSAMJUVYLQNLFD-UHFFFAOYSA-N -1 3 313.353 2.788 20 0 DFADHM COCCCO[N-]C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000286950887 219239995 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ZINC000092122680 398560113 /nfs/dbraw/zinc/56/01/13/398560113.db2.gz KUIHDRWEWLNNMO-GFCCVEGCSA-N -1 3 313.353 2.736 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1c([O-])cccc1O ZINC000092122448 398560185 /nfs/dbraw/zinc/56/01/85/398560185.db2.gz KEESTWRBKXFBAW-IAQYHMDHSA-N -1 3 307.390 2.669 20 0 DFADHM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H](C1CC1)N1CCCC1 ZINC000128001706 304005074 /nfs/dbraw/zinc/00/50/74/304005074.db2.gz BSSKDOMGEMXLSP-CQSZACIVSA-N -1 3 317.414 2.929 20 0 DFADHM O=C(Nc1ccc2[n-]c(=S)oc2c1)C12CCCN1CCC2 ZINC000283495525 304005219 /nfs/dbraw/zinc/00/52/19/304005219.db2.gz QWARFRNZLQFIDN-UHFFFAOYSA-N -1 3 303.387 2.683 20 0 DFADHM Cc1cncc(CCSCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000593196724 398569957 /nfs/dbraw/zinc/56/99/57/398569957.db2.gz CAHKWDDIKMMOGC-UHFFFAOYSA-N -1 3 302.403 2.634 20 0 DFADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc2c(c1)CCO2 ZINC000069447007 398570304 /nfs/dbraw/zinc/57/03/04/398570304.db2.gz NBYULUKZHQJRKJ-UHFFFAOYSA-N -1 3 311.309 2.701 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2nc(C)cs2)c1 ZINC000069488180 398572088 /nfs/dbraw/zinc/57/20/88/398572088.db2.gz HSIBBRCGFGAPOR-SECBINFHSA-N -1 3 319.386 2.607 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@@H](C)CCCc2cccnc2)n1 ZINC000459644704 299155090 /nfs/dbraw/zinc/15/50/90/299155090.db2.gz XNJQGLIQSNCOQL-ZDUSSCGKSA-N -1 3 300.406 2.641 20 0 DFADHM CCc1cc(C(=O)NCc2ccc([S@](C)=O)cc2)ccc1[O-] ZINC000589840115 398578749 /nfs/dbraw/zinc/57/87/49/398578749.db2.gz JRRPDANDVOZGGS-QFIPXVFZSA-N -1 3 317.410 2.622 20 0 DFADHM Cc1ccccc1C(=O)NCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693500 398580591 /nfs/dbraw/zinc/58/05/91/398580591.db2.gz FJOBHUVERTWSBW-UHFFFAOYSA-N -1 3 318.760 2.723 20 0 DFADHM CSc1ccc([O-])c(C(=O)N[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000597176784 398582465 /nfs/dbraw/zinc/58/24/65/398582465.db2.gz WIHUXSZDMQXBSV-SECBINFHSA-N -1 3 311.403 2.574 20 0 DFADHM O=C([O-])C[C@H]1CCCN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000042162849 398585551 /nfs/dbraw/zinc/58/55/51/398585551.db2.gz LHWWCQGPHVVTBP-LLVKDONJSA-N 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/nfs/dbraw/zinc/87/03/88/197870388.db2.gz RQEPHWOHOHVVSL-HIFRSBDPSA-N -1 3 323.439 2.947 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)[C@@H]3CCSC3)c[n-]c12 ZINC000152633488 186091753 /nfs/dbraw/zinc/09/17/53/186091753.db2.gz CPGCBSCPTJGMGR-LLVKDONJSA-N -1 3 320.389 2.553 20 0 DFADHM CCCCn1c(=O)[n-]nc1S[C@@H](CC)C(=O)OC(C)(C)C ZINC000191565740 535132391 /nfs/dbraw/zinc/13/23/91/535132391.db2.gz OKJYXNLFHVEPIY-JTQLQIEISA-N -1 3 315.439 2.584 20 0 DFADHM CC(=O)N1CC[C@@H](NCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000414643769 295810626 /nfs/dbraw/zinc/81/06/26/295810626.db2.gz YDMPALNDXWNDFI-QGZVFWFLSA-N -1 3 324.380 2.972 20 0 DFADHM CC(C)(C)OC(=O)[C@@H](C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000597410253 398636707 /nfs/dbraw/zinc/63/67/07/398636707.db2.gz QCKFJJGWEDRXKF-CQSZACIVSA-N -1 3 323.364 2.515 20 0 DFADHM CS[C@H]1CCCCN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000597412843 398637347 /nfs/dbraw/zinc/63/73/47/398637347.db2.gz BMLMFTUAJNRASX-NSHDSACASA-N -1 3 305.403 2.626 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H](OC)C2CCCC2)c([O-])c1 ZINC000597442289 398641498 /nfs/dbraw/zinc/64/14/98/398641498.db2.gz TZERGPVCUHJBHB-HNNXBMFYSA-N -1 3 321.373 2.713 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2C)s1 ZINC000175627733 186182050 /nfs/dbraw/zinc/18/20/50/186182050.db2.gz OUKVKPKGFVFHTR-SNVBAGLBSA-N -1 3 314.407 2.939 20 0 DFADHM CC(C)c1ccccc1OCCC(=O)[N-]OC[C@H]1CCOC1 ZINC000188012682 186243401 /nfs/dbraw/zinc/24/34/01/186243401.db2.gz JZEBRVRIJZQMRB-AWEZNQCLSA-N -1 3 307.390 2.663 20 0 DFADHM CC[C@@H](CC(=O)[N-]OC[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000188012605 186243437 /nfs/dbraw/zinc/24/34/37/186243437.db2.gz JXMNZCKVODYWKA-KBPBESRZSA-N -1 3 307.390 2.663 20 0 DFADHM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1cccc([O-])c1F)C1CC1 ZINC000597455739 398644479 /nfs/dbraw/zinc/64/44/79/398644479.db2.gz ZFLCRNDVQVSZBD-GFCCVEGCSA-N -1 3 309.337 2.838 20 0 DFADHM COc1ccc(C(=O)NC[C@@H](OC)c2ccccc2)c([O-])c1 ZINC000112114004 282717342 /nfs/dbraw/zinc/71/73/42/282717342.db2.gz 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CCc1cc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)ccc1[O-] ZINC000616825109 399521556 /nfs/dbraw/zinc/52/15/56/399521556.db2.gz UPDSLEMCYYAYPY-AWEZNQCLSA-N -1 3 301.346 2.782 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CC2)s1 ZINC000270039974 208094087 /nfs/dbraw/zinc/09/40/87/208094087.db2.gz ZTRMDOMUKGUHFW-UHFFFAOYSA-N -1 3 312.391 2.558 20 0 DFADHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)OCC ZINC000625329590 399522446 /nfs/dbraw/zinc/52/24/46/399522446.db2.gz GGBYSPZFQJRVCH-SECBINFHSA-N -1 3 311.856 2.885 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629145243 399525899 /nfs/dbraw/zinc/52/58/99/399525899.db2.gz ODOVMQCDKMHHTC-BBRMVZONSA-N -1 3 307.365 2.538 20 0 DFADHM Cn1[n-]c(CN[C@@H](CCc2ccccc2)c2ccccc2)nc1=O ZINC000347541659 285074544 /nfs/dbraw/zinc/07/45/44/285074544.db2.gz YNLATDCZUPVRLX-KRWDZBQOSA-N -1 3 322.412 2.572 20 0 DFADHM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1ccc2c(c1[O-])CCCC2 ZINC000629146906 399526856 /nfs/dbraw/zinc/52/68/56/399526856.db2.gz 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C[C@H]1CCC[C@H](OCC(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000602766261 399562626 /nfs/dbraw/zinc/56/26/26/399562626.db2.gz WMCGTRIZASPZPD-QWRGUYRKSA-N -1 3 304.350 2.599 20 0 DFADHM C[C@H]1CCC[C@H](OCC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000602766261 399562628 /nfs/dbraw/zinc/56/26/28/399562628.db2.gz WMCGTRIZASPZPD-QWRGUYRKSA-N -1 3 304.350 2.599 20 0 DFADHM CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccc([O-])c(F)c2)CCO1 ZINC000272878301 210269613 /nfs/dbraw/zinc/26/96/13/210269613.db2.gz VCLVJJLTQXGMPO-LRDDRELGSA-N -1 3 309.381 2.989 20 0 DFADHM COC(=O)CCCO[N-]C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000288680189 220342673 /nfs/dbraw/zinc/34/26/73/220342673.db2.gz CPSUGAWIVBIADX-UHFFFAOYSA-N -1 3 308.378 2.990 20 0 DFADHM CCO[C@@H](CS(=O)(=O)[N-]c1cc(C)cc(F)c1)C1CC1 ZINC000629289090 399565116 /nfs/dbraw/zinc/56/51/16/399565116.db2.gz HSWSVNPHISJRTN-AWEZNQCLSA-N -1 3 301.383 2.691 20 0 DFADHM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000620686712 399567951 /nfs/dbraw/zinc/56/79/51/399567951.db2.gz IUMYJJDVBZFGGA-GFCCVEGCSA-N -1 3 324.359 2.899 20 0 DFADHM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000620686712 399567953 /nfs/dbraw/zinc/56/79/53/399567953.db2.gz IUMYJJDVBZFGGA-GFCCVEGCSA-N -1 3 324.359 2.899 20 0 DFADHM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000620686712 399567956 /nfs/dbraw/zinc/56/79/56/399567956.db2.gz IUMYJJDVBZFGGA-GFCCVEGCSA-N -1 3 324.359 2.899 20 0 DFADHM COc1c(Cl)cccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000158293359 197259613 /nfs/dbraw/zinc/25/96/13/197259613.db2.gz GDIRYQKEELPMIU-LLVKDONJSA-N -1 3 300.742 2.928 20 0 DFADHM COc1c(Cl)cccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000158293359 197259615 /nfs/dbraw/zinc/25/96/15/197259615.db2.gz GDIRYQKEELPMIU-LLVKDONJSA-N -1 3 300.742 2.928 20 0 DFADHM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000620689778 399568908 /nfs/dbraw/zinc/56/89/08/399568908.db2.gz HUCMENWCPBPGFH-AWEZNQCLSA-N -1 3 323.396 2.862 20 0 DFADHM CS[C@H](C)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000158039392 197238380 /nfs/dbraw/zinc/23/83/80/197238380.db2.gz AQRFZCHEGILECB-MRVPVSSYSA-N -1 3 313.366 2.735 20 0 DFADHM CCn1cc(S(=O)(=O)[N-][C@H](C)CCCC(C)C)nc1C ZINC000347763027 285163455 /nfs/dbraw/zinc/16/34/55/285163455.db2.gz FEXVDCMDIAQPBK-GFCCVEGCSA-N -1 3 301.456 2.705 20 0 DFADHM CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC000629360293 399578311 /nfs/dbraw/zinc/57/83/11/399578311.db2.gz NZIVKSVIWCJWMM-OCCSQVGLSA-N -1 3 303.406 2.823 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)s1 ZINC000625528258 399578922 /nfs/dbraw/zinc/57/89/22/399578922.db2.gz FVCNAOKVHMOPLF-WDEREUQCSA-N -1 3 314.457 2.656 20 0 DFADHM C[C@@H]1C[C@@H]1CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000629364025 399579164 /nfs/dbraw/zinc/57/91/64/399579164.db2.gz KBOOMCKOPBMBJE-UDZFHETQSA-N -1 3 324.218 2.916 20 0 DFADHM COC(=O)c1ccc(NC([O-])=NOCCC(F)(F)F)cc1C ZINC000157327248 197180206 /nfs/dbraw/zinc/18/02/06/197180206.db2.gz KVMVFYDRWHLIRA-UHFFFAOYSA-N -1 3 320.267 2.787 20 0 DFADHM 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CC[C@@H]1[C@H](CO)CCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000408470900 287369384 /nfs/dbraw/zinc/36/93/84/287369384.db2.gz VQFUAXPGJSHNAB-GOEBONIOSA-N -1 3 303.402 2.504 20 0 DFADHM CCOc1cc(CN2C[C@@H](C)[C@](C)(CO)C2)cc(Cl)c1[O-] ZINC000668736875 543856313 /nfs/dbraw/zinc/85/63/13/543856313.db2.gz IFJKEIGRCRLBMW-BZNIZROVSA-N -1 3 313.825 2.895 20 0 DFADHM Cc1ccc([O-])c(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)n1 ZINC000668768274 543864375 /nfs/dbraw/zinc/86/43/75/543864375.db2.gz ONBOOOYHSYJIQP-MNOVXSKESA-N -1 3 304.312 2.637 20 0 DFADHM COc1ccc([C@@H](CC(=O)[O-])NCc2scnc2C)cc1 ZINC000669470581 543953501 /nfs/dbraw/zinc/95/35/01/543953501.db2.gz WUWSSDPLCGIBNP-CYBMUJFWSA-N -1 3 306.387 2.766 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])NCCOCC(F)F ZINC000296769015 226214011 /nfs/dbraw/zinc/21/40/11/226214011.db2.gz RHGNKSNLVSRAET-UHFFFAOYSA-N -1 3 323.339 2.876 20 0 DFADHM CNC(=O)C1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCC1 ZINC000669746811 543991873 /nfs/dbraw/zinc/99/18/73/543991873.db2.gz 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CCOc1cccc(NC(=O)c2cc(C)cc(OC)c2[O-])n1 ZINC000673758431 544196945 /nfs/dbraw/zinc/19/69/45/544196945.db2.gz QBRPQMZRRXZNIO-UHFFFAOYSA-N -1 3 302.330 2.755 20 0 DFADHM CNC(=O)CC[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000290980228 222047365 /nfs/dbraw/zinc/04/73/65/222047365.db2.gz TZBUDCAAGFLVJD-LLVKDONJSA-N -1 3 324.808 2.567 20 0 DFADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(F)c2)[C@@H]1[C@H]1CCCO1 ZINC000291110527 222143958 /nfs/dbraw/zinc/14/39/58/222143958.db2.gz UXLVMACYPGXKIC-HUUCEWRRSA-N -1 3 322.380 2.630 20 0 DFADHM CCn1cnnc1[N-]C(=O)[C@H](Oc1ccc(Cl)cc1)C(C)C ZINC000291121418 222152828 /nfs/dbraw/zinc/15/28/28/222152828.db2.gz FIYLPZXRAOFDDB-CYBMUJFWSA-N -1 3 322.796 2.994 20 0 DFADHM COc1cc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)cc(OC)c1[O-] ZINC000291141053 222167127 /nfs/dbraw/zinc/16/71/27/222167127.db2.gz PBSKPUNQBTVLIN-HNNXBMFYSA-N -1 3 305.374 2.670 20 0 DFADHM COCC[C@@H]1COCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000291211264 222225902 /nfs/dbraw/zinc/22/59/02/222225902.db2.gz 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COc1cccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000102898469 425930690 /nfs/dbraw/zinc/93/06/90/425930690.db2.gz YXOFOHANBCKZQM-CQSZACIVSA-N -1 3 312.369 2.727 20 0 DFADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCCC[C@H]2C(C)C)c(=O)[n-]1 ZINC000103055988 425934167 /nfs/dbraw/zinc/93/41/67/425934167.db2.gz DXJTYBSVAFKFIK-GOEBONIOSA-N -1 3 319.449 2.650 20 0 DFADHM COc1ccc(C(=O)N(C)Cc2ccc(OC)c(C)c2)c([O-])c1 ZINC000103023991 425934794 /nfs/dbraw/zinc/93/47/94/425934794.db2.gz ZIDAQKYNAJHPLB-UHFFFAOYSA-N -1 3 315.369 2.990 20 0 DFADHM COc1cccc(C(=O)N2CCC(OCC(C)C)CC2)c1[O-] ZINC000079202853 267433809 /nfs/dbraw/zinc/43/38/09/267433809.db2.gz SRJPUXSLYSPNTC-UHFFFAOYSA-N -1 3 307.390 2.678 20 0 DFADHM CC(=O)N[C@@H](CC(=O)Nc1ccc(C)cc1[O-])c1ccccc1 ZINC000008378808 425667319 /nfs/dbraw/zinc/66/73/19/425667319.db2.gz NEOVTLBAONUFJL-INIZCTEOSA-N -1 3 312.369 2.907 20 0 DFADHM C[C@H](CNC(=O)c1ccc2c(c1[O-])CCCC2)Cn1ccnc1 ZINC000182806790 267746992 /nfs/dbraw/zinc/74/69/92/267746992.db2.gz 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268035830 /nfs/dbraw/zinc/03/58/30/268035830.db2.gz IGVCVQBAKGOETB-UHFFFAOYSA-N -1 3 318.398 2.873 20 0 DFADHM Cc1cccc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)c1[O-] ZINC000193413646 268067815 /nfs/dbraw/zinc/06/78/15/268067815.db2.gz MNUDPSTXGRCSGO-LLVKDONJSA-N -1 3 310.353 2.686 20 0 DFADHM C[C@@H](CNC(=O)c1ccc2n[n-]nc2c1)COCc1ccccc1 ZINC000193713461 268077651 /nfs/dbraw/zinc/07/76/51/268077651.db2.gz HMPJJNQQMLAWIL-ZDUSSCGKSA-N -1 3 324.384 2.541 20 0 DFADHM Cc1cc(C)c(CSc2nc3n[nH]cc3c(=O)[n-]2)c(C)c1 ZINC000194357204 268099219 /nfs/dbraw/zinc/09/92/19/268099219.db2.gz XGYPQLQULNSLSS-UHFFFAOYSA-N -1 3 300.387 2.864 20 0 DFADHM COc1ccc([C@@H](C)NC(=O)c2ccc(O)cc2[O-])cc1F ZINC000195175640 268128698 /nfs/dbraw/zinc/12/86/98/268128698.db2.gz PSLOPGSPRPUMTN-SECBINFHSA-N -1 3 305.305 2.737 20 0 DFADHM CCc1nccn1[C@H]1CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000264307928 268172204 /nfs/dbraw/zinc/17/22/04/268172204.db2.gz YRULJAKGSGEDNP-AWEZNQCLSA-N -1 3 313.401 2.937 20 0 DFADHM 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CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccccc2F)n1 ZINC000125783784 425989871 /nfs/dbraw/zinc/98/98/71/425989871.db2.gz VLGRDTXMNRXGGE-UHFFFAOYSA-N -1 3 321.377 2.756 20 0 DFADHM O=C([O-])C1(NCc2ccc(Br)cc2Cl)CC1 ZINC000125791528 425990676 /nfs/dbraw/zinc/99/06/76/425990676.db2.gz WSWSKEJOLBACJT-UHFFFAOYSA-N -1 3 304.571 2.809 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)c1 ZINC000333983997 268423673 /nfs/dbraw/zinc/42/36/73/268423673.db2.gz FDNIWFPDLJSEJN-INIZCTEOSA-N -1 3 319.401 2.678 20 0 DFADHM COc1ccc([C@@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000107566284 425996023 /nfs/dbraw/zinc/99/60/23/425996023.db2.gz GGEXNBFHINYCAR-SSDOTTSWSA-N -1 3 314.267 2.574 20 0 DFADHM COc1ccc([C@@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000107566284 425996024 /nfs/dbraw/zinc/99/60/24/425996024.db2.gz GGEXNBFHINYCAR-SSDOTTSWSA-N -1 3 314.267 2.574 20 0 DFADHM COc1ccc([C@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000107566281 425996270 /nfs/dbraw/zinc/99/62/70/425996270.db2.gz GGEXNBFHINYCAR-ZETCQYMHSA-N 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Cc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1Cl ZINC000075082084 426062060 /nfs/dbraw/zinc/06/20/60/426062060.db2.gz AJAIKYYPUOJTGT-LLVKDONJSA-N -1 3 303.811 2.959 20 0 DFADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2nc(C)cs2)cc1 ZINC000162509726 426067848 /nfs/dbraw/zinc/06/78/48/426067848.db2.gz QIORICRYBGVVAQ-UHFFFAOYSA-N -1 3 312.341 2.868 20 0 DFADHM COc1cc(C(=O)NCCc2cccc(C)c2)cc(OC)c1[O-] ZINC000162581369 426069378 /nfs/dbraw/zinc/06/93/78/426069378.db2.gz KMXMINNMIROZIJ-UHFFFAOYSA-N -1 3 315.369 2.690 20 0 DFADHM O=C(Nc1ccccc1[O-])[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000127494901 426069489 /nfs/dbraw/zinc/06/94/89/426069489.db2.gz XDRJWCRITQHREE-UONOGXRCSA-N -1 3 316.401 2.760 20 0 DFADHM O=C(C[S@](=O)c1ccc([O-])cc1)Nc1ccccc1Cl ZINC000108085096 426010102 /nfs/dbraw/zinc/01/01/02/426010102.db2.gz NZRSTNYTUVKOFP-HXUWFJFHSA-N -1 3 309.774 2.792 20 0 DFADHM COc1ccc(NC(=O)CC[S@](=O)c2ccc([O-])cc2)cc1 ZINC000108085152 426010200 /nfs/dbraw/zinc/01/02/00/426010200.db2.gz IWMKWGOIKOHOAO-JOCHJYFZSA-N -1 3 319.382 2.537 20 0 DFADHM CN1CCC[C@@H]1CCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000126228293 426010636 /nfs/dbraw/zinc/01/06/36/426010636.db2.gz XKAXGZYBOUXGBJ-MRVPVSSYSA-N -1 3 307.341 2.777 20 0 DFADHM Cc1ccc(NC(=O)CSc2nncn2C(C)C)c([O-])c1 ZINC000127865165 426090197 /nfs/dbraw/zinc/09/01/97/426090197.db2.gz PQQVLXHEFIROPO-UHFFFAOYSA-N -1 3 306.391 2.604 20 0 DFADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)[N-]c1nc(C)no1 ZINC000163157873 426091792 /nfs/dbraw/zinc/09/17/92/426091792.db2.gz LQYSFZRBCFDEKG-UHFFFAOYSA-N -1 3 317.736 2.778 20 0 DFADHM COc1ccc([O-])c(C(=O)N(CCc2nccs2)C(C)C)c1 ZINC000163287787 426095115 /nfs/dbraw/zinc/09/51/15/426095115.db2.gz KVSIRHUUKYAFEZ-UHFFFAOYSA-N -1 3 320.414 2.951 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@]1(C)CCCc2ccccc21 ZINC000337904350 268572972 /nfs/dbraw/zinc/57/29/72/268572972.db2.gz ACZWOUBRIGGLCI-MRXNPFEDSA-N -1 3 320.414 2.821 20 0 DFADHM C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000163706563 426106786 /nfs/dbraw/zinc/10/67/86/426106786.db2.gz 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O=S(=O)([N-]Cc1nccs1)c1cccc(Cl)c1Cl ZINC000077656945 426143239 /nfs/dbraw/zinc/14/32/39/426143239.db2.gz LSIVLMYJOHBCRF-UHFFFAOYSA-N -1 3 323.226 2.928 20 0 DFADHM COC(=O)C[C@@H](C)SCc1noc(-c2ccccc2[O-])n1 ZINC000115191490 426156748 /nfs/dbraw/zinc/15/67/48/426156748.db2.gz RJSSTCHESRKPLE-SECBINFHSA-N -1 3 308.359 2.627 20 0 DFADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)ccc1F)c1ccccc1 ZINC000078279423 426164039 /nfs/dbraw/zinc/16/40/39/426164039.db2.gz XEIDSVJRNUIHKI-HNNXBMFYSA-N -1 3 323.389 2.800 20 0 DFADHM CC(C)[C@H](NC(=O)c1c[n-]nn1)c1cccc(C(F)(F)F)c1 ZINC000171020151 426164630 /nfs/dbraw/zinc/16/46/30/426164630.db2.gz ISHQQNNSTGRUDC-LBPRGKRZSA-N -1 3 312.295 2.951 20 0 DFADHM CC(C)[C@H](NC(=O)c1cnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000171020151 426164632 /nfs/dbraw/zinc/16/46/32/426164632.db2.gz ISHQQNNSTGRUDC-LBPRGKRZSA-N -1 3 312.295 2.951 20 0 DFADHM CC(C)[C@H](NC(=O)c1cn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000171020151 426164633 /nfs/dbraw/zinc/16/46/33/426164633.db2.gz ISHQQNNSTGRUDC-LBPRGKRZSA-N -1 3 312.295 2.951 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c(C)c1 ZINC000078601515 426177075 /nfs/dbraw/zinc/17/70/75/426177075.db2.gz HOWPRPOHJONORG-HXUWFJFHSA-N -1 3 323.439 2.842 20 0 DFADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000117115347 426206113 /nfs/dbraw/zinc/20/61/13/426206113.db2.gz UNQLAOYRYHGLHW-UHFFFAOYSA-N -1 3 314.345 2.981 20 0 DFADHM Cc1cc(C)c(CS(=O)(=O)c2nc(C3CC3)n[n-]2)c(C)c1 ZINC000171334131 426184572 /nfs/dbraw/zinc/18/45/72/426184572.db2.gz TWBURUPRJFASHO-UHFFFAOYSA-N -1 3 305.403 2.581 20 0 DFADHM Cc1cc(C)c(CS(=O)(=O)c2nnc(C3CC3)[n-]2)c(C)c1 ZINC000171334131 426184575 /nfs/dbraw/zinc/18/45/75/426184575.db2.gz TWBURUPRJFASHO-UHFFFAOYSA-N -1 3 305.403 2.581 20 0 DFADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000135872171 426229454 /nfs/dbraw/zinc/22/94/54/426229454.db2.gz ZJLWPFXOHHAIDB-NHYWBVRUSA-N -1 3 310.419 2.741 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000118268799 426231164 /nfs/dbraw/zinc/23/11/64/426231164.db2.gz NJUFLXYXUZWHRO-BLLLJJGKSA-N -1 3 321.417 2.972 20 0 DFADHM CN(C(=O)c1c[n-]nc1-c1ccc(F)cc1)c1nccs1 ZINC000172802210 426232003 /nfs/dbraw/zinc/23/20/03/426232003.db2.gz OKCFXQSWOKIHDE-UHFFFAOYSA-N -1 3 302.334 2.949 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NCCOc1ccccc1 ZINC000136042887 426233268 /nfs/dbraw/zinc/23/32/68/426233268.db2.gz DOELAAPWEIHASK-UHFFFAOYSA-N -1 3 305.761 2.783 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000118366691 426234006 /nfs/dbraw/zinc/23/40/06/426234006.db2.gz LKTQETYROUFION-SWLSCSKDSA-N -1 3 316.405 2.529 20 0 DFADHM CNC(=O)c1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000136122104 426236289 /nfs/dbraw/zinc/23/62/89/426236289.db2.gz XNOHRUFCMZGFIF-UHFFFAOYSA-N -1 3 318.760 2.586 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cccs1 ZINC000118439103 426237023 /nfs/dbraw/zinc/23/70/23/426237023.db2.gz NECCMJGXJHKNHF-DGCLKSJQSA-N -1 3 317.476 2.868 20 0 DFADHM O=C(Nc1ccccc1[O-])c1ncccc1OCC(F)(F)F ZINC000084382836 426237524 /nfs/dbraw/zinc/23/75/24/426237524.db2.gz WZOUKRYGTMJSMT-UHFFFAOYSA-N -1 3 312.247 2.981 20 0 DFADHM CSc1nsc([N-]C(=O)c2ncccc2OC(C)C)n1 ZINC000084630144 426241416 /nfs/dbraw/zinc/24/14/16/426241416.db2.gz NKZJXMWZVBLBHC-UHFFFAOYSA-N -1 3 310.404 2.695 20 0 DFADHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084936685 426246826 /nfs/dbraw/zinc/24/68/26/426246826.db2.gz WBUOBBMYNJLAPI-CYBMUJFWSA-N -1 3 322.430 2.586 20 0 DFADHM COc1cccc(C(=O)N2CCOC3(CCCCC3)C2)c1[O-] ZINC000174376177 426254873 /nfs/dbraw/zinc/25/48/73/426254873.db2.gz DCPJRAKCZFYNCW-UHFFFAOYSA-N -1 3 305.374 2.576 20 0 DFADHM COc1cccc(F)c1[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000174408421 426256082 /nfs/dbraw/zinc/25/60/82/426256082.db2.gz QIUWGMNYJHPOGG-VIFPVBQESA-N -1 3 314.320 2.597 20 0 DFADHM COc1cccc(C(=O)N[C@H](C)COCc2ccccc2)c1[O-] ZINC000174588541 426260314 /nfs/dbraw/zinc/26/03/14/426260314.db2.gz JNWHFWSHDXBVSL-CYBMUJFWSA-N -1 3 315.369 2.736 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cccc3nn[n-]c32)CCO1 ZINC000119131931 426264711 /nfs/dbraw/zinc/26/47/11/426264711.db2.gz SGJSUOGCCFWBIZ-DOMZBBRYSA-N -1 3 316.405 2.672 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cccc3[n-]nnc32)CCO1 ZINC000119131931 426264713 /nfs/dbraw/zinc/26/47/13/426264713.db2.gz SGJSUOGCCFWBIZ-DOMZBBRYSA-N -1 3 316.405 2.672 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)CCO1 ZINC000119131931 426264716 /nfs/dbraw/zinc/26/47/16/426264716.db2.gz SGJSUOGCCFWBIZ-DOMZBBRYSA-N -1 3 316.405 2.672 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@H]2CC[C@@H]1O2)c1cccc(Cl)c1Cl ZINC000151066291 426275184 /nfs/dbraw/zinc/27/51/84/426275184.db2.gz RBEBGPCCCPQCCW-JEZHCXPESA-N -1 3 322.213 2.592 20 0 DFADHM CCn1c2ccc(F)cc2nc1NC(=O)c1cccc2nn[n-]c21 ZINC000119240287 426271977 /nfs/dbraw/zinc/27/19/77/426271977.db2.gz LUJLVMFYGZNHLK-UHFFFAOYSA-N -1 3 324.319 2.719 20 0 DFADHM CCn1c2ccc(F)cc2nc1NC(=O)c1cccc2[n-]nnc21 ZINC000119240287 426271979 /nfs/dbraw/zinc/27/19/79/426271979.db2.gz LUJLVMFYGZNHLK-UHFFFAOYSA-N -1 3 324.319 2.719 20 0 DFADHM CCn1c2ccc(F)cc2nc1NC(=O)c1cccc2n[n-]nc21 ZINC000119240287 426271981 /nfs/dbraw/zinc/27/19/81/426271981.db2.gz LUJLVMFYGZNHLK-UHFFFAOYSA-N -1 3 324.319 2.719 20 0 DFADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000117374824 426213537 /nfs/dbraw/zinc/21/35/37/426213537.db2.gz YGGURNOIBHXTPR-RYUDHWBXSA-N -1 3 321.414 2.917 20 0 DFADHM Cc1cccc([C@H](C)C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000119441260 426288449 /nfs/dbraw/zinc/28/84/49/426288449.db2.gz VFGXDDHNSDHLHR-LBPRGKRZSA-N -1 3 309.373 2.861 20 0 DFADHM Cc1cccc([C@H](C)C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000119441260 426288451 /nfs/dbraw/zinc/28/84/51/426288451.db2.gz VFGXDDHNSDHLHR-LBPRGKRZSA-N -1 3 309.373 2.861 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(F)c(Cl)c2)n[n-]1 ZINC000119433406 426288669 /nfs/dbraw/zinc/28/86/69/426288669.db2.gz FPUCVJFADCIZOE-UHFFFAOYSA-N -1 3 319.727 2.855 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(F)c(Cl)c2)[n-]n1 ZINC000119433406 426288672 /nfs/dbraw/zinc/28/86/72/426288672.db2.gz FPUCVJFADCIZOE-UHFFFAOYSA-N -1 3 319.727 2.855 20 0 DFADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000175272605 426293306 /nfs/dbraw/zinc/29/33/06/426293306.db2.gz VYLNPONIJCXUJB-GXTWGEPZSA-N -1 3 304.419 2.752 20 0 DFADHM COCCN(Cc1ccc(C)o1)C(=O)c1cc(OC)ccc1[O-] ZINC000151391645 426293610 /nfs/dbraw/zinc/29/36/10/426293610.db2.gz OPSSDLSXPXYWKK-UHFFFAOYSA-N -1 3 319.357 2.591 20 0 DFADHM COCCN(Cc1ccc(C)o1)C(=O)c1ccc(OC)cc1[O-] ZINC000151390319 426294002 /nfs/dbraw/zinc/29/40/02/426294002.db2.gz VYUHBULNHPRCIM-UHFFFAOYSA-N -1 3 319.357 2.591 20 0 DFADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000175283667 426294432 /nfs/dbraw/zinc/29/44/32/426294432.db2.gz HZURJUCMXFEJET-QWHCGFSZSA-N -1 3 321.414 2.917 20 0 DFADHM CCCCSCCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000119586503 426300286 /nfs/dbraw/zinc/30/02/86/426300286.db2.gz ZXWHBKCURUQIHN-UHFFFAOYSA-N -1 3 305.407 2.729 20 0 DFADHM CCCCSCCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000119586503 426300287 /nfs/dbraw/zinc/30/02/87/426300287.db2.gz ZXWHBKCURUQIHN-UHFFFAOYSA-N -1 3 305.407 2.729 20 0 DFADHM CCCCSCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000119586503 426300290 /nfs/dbraw/zinc/30/02/90/426300290.db2.gz ZXWHBKCURUQIHN-UHFFFAOYSA-N -1 3 305.407 2.729 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@H]1C1CC1 ZINC000151543645 426301247 /nfs/dbraw/zinc/30/12/47/426301247.db2.gz JSUGMIIBFQGFBE-WDEREUQCSA-N -1 3 310.191 2.817 20 0 DFADHM O=C(CC(F)(F)F)NCc1ccc([O-])c(Br)c1 ZINC000151581289 426302639 /nfs/dbraw/zinc/30/26/39/426302639.db2.gz JDPPMPLVKNUPHB-UHFFFAOYSA-N -1 3 312.085 2.723 20 0 DFADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(-n2cccn2)cc1 ZINC000175459213 426306188 /nfs/dbraw/zinc/30/61/88/426306188.db2.gz XRNAYDPJXSMGEX-LBPRGKRZSA-N -1 3 323.352 2.775 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCc3c(Cl)cccc3C2)n1 ZINC000121398159 426339970 /nfs/dbraw/zinc/33/99/70/426339970.db2.gz BAZXXIAFLNALBG-UHFFFAOYSA-N -1 3 303.793 2.956 20 0 DFADHM COc1cc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)cc(OC)c1[O-] ZINC000120470278 426311110 /nfs/dbraw/zinc/31/11/10/426311110.db2.gz BLJYAQCMTBKXCF-VXGBXAGGSA-N -1 3 307.390 2.918 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CCOC2CCOCC2)c1[O-] ZINC000175547385 426313086 /nfs/dbraw/zinc/31/30/86/426313086.db2.gz IUHRYGPSEWERJX-UHFFFAOYSA-N -1 3 313.781 2.878 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)c(C)c1 ZINC000151885665 426317553 /nfs/dbraw/zinc/31/75/53/426317553.db2.gz DHLXEXRJNFOIIH-UHFFFAOYSA-N -1 3 321.398 2.605 20 0 DFADHM CCC1(C[N-]S(=O)(=O)c2cc(OC)ccc2Cl)CC1 ZINC000175656487 426320616 /nfs/dbraw/zinc/32/06/16/426320616.db2.gz VFDJXLPBGRHZGO-UHFFFAOYSA-N -1 3 303.811 2.817 20 0 DFADHM CCN(CC)[C@H](CNC(=O)c1c([O-])cccc1F)c1ccco1 ZINC000121148390 426321473 /nfs/dbraw/zinc/32/14/73/426321473.db2.gz PDYHEUQKTSIRSH-CYBMUJFWSA-N -1 3 320.364 2.937 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccnc3ccccc32)n[n-]1 ZINC000119340598 426281050 /nfs/dbraw/zinc/28/10/50/426281050.db2.gz JTOHIHPNKZPNBR-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccnc3ccccc32)[n-]n1 ZINC000119340598 426281053 /nfs/dbraw/zinc/28/10/53/426281053.db2.gz JTOHIHPNKZPNBR-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)O1 ZINC000175970311 426342757 /nfs/dbraw/zinc/34/27/57/426342757.db2.gz YXGGCVYSJDJKDA-MNOVXSKESA-N -1 3 318.352 2.897 20 0 DFADHM CCc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000121500658 426346527 /nfs/dbraw/zinc/34/65/27/426346527.db2.gz KUNSWTFJMCRSGP-UHFFFAOYSA-N -1 3 307.357 2.610 20 0 DFADHM CCc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000121500658 426346529 /nfs/dbraw/zinc/34/65/29/426346529.db2.gz KUNSWTFJMCRSGP-UHFFFAOYSA-N -1 3 307.357 2.610 20 0 DFADHM CCOc1ccc(CNC(=O)c2c([O-])cccc2O)cc1F ZINC000092121263 426348612 /nfs/dbraw/zinc/34/86/12/426348612.db2.gz RGKQXWWTUSZGKZ-UHFFFAOYSA-N -1 3 305.305 2.566 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2C)c1 ZINC000152996510 426364869 /nfs/dbraw/zinc/36/48/69/426364869.db2.gz BVUUKYITKPLOJR-LRDDRELGSA-N -1 3 319.430 2.676 20 0 DFADHM COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000153097801 426370880 /nfs/dbraw/zinc/37/08/80/426370880.db2.gz YPKHAIJGDHOTFT-GFCCVEGCSA-N -1 3 313.353 2.736 20 0 DFADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000153416965 426384845 /nfs/dbraw/zinc/38/48/45/426384845.db2.gz WNOMBRPTXQFPAI-LLVKDONJSA-N -1 3 322.792 2.633 20 0 DFADHM CSCC[C@@H](C)N(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122657749 426386093 /nfs/dbraw/zinc/38/60/93/426386093.db2.gz PMSUEZPZOBPVIA-SNVBAGLBSA-N -1 3 310.419 2.564 20 0 DFADHM C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153520957 426389314 /nfs/dbraw/zinc/38/93/14/426389314.db2.gz FJPOJXWAACDQOA-JQWIXIFHSA-N -1 3 313.781 2.958 20 0 DFADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000176529569 426390740 /nfs/dbraw/zinc/39/07/40/426390740.db2.gz IDPSOMPVMMSDAV-UHFFFAOYSA-N -1 3 322.777 2.721 20 0 DFADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000176529569 426390745 /nfs/dbraw/zinc/39/07/45/426390745.db2.gz IDPSOMPVMMSDAV-UHFFFAOYSA-N -1 3 322.777 2.721 20 0 DFADHM COC(=O)CC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000176523877 426391157 /nfs/dbraw/zinc/39/11/57/426391157.db2.gz CCXUJFMVQSUMDT-JTQLQIEISA-N -1 3 321.270 2.698 20 0 DFADHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000122990607 426407862 /nfs/dbraw/zinc/40/78/62/426407862.db2.gz YTRSECNCRSFVSH-WDEREUQCSA-N -1 3 303.449 2.620 20 0 DFADHM CC(=O)[C@H](C)CCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000154246258 426432768 /nfs/dbraw/zinc/43/27/68/426432768.db2.gz SHHQCGJVRWBSJO-SSDOTTSWSA-N -1 3 306.288 2.548 20 0 DFADHM CC(=O)[C@H](C)CCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000154246258 426432770 /nfs/dbraw/zinc/43/27/70/426432770.db2.gz SHHQCGJVRWBSJO-SSDOTTSWSA-N -1 3 306.288 2.548 20 0 DFADHM CCN1CCC[C@@H]1CN(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000177043806 426438360 /nfs/dbraw/zinc/43/83/60/426438360.db2.gz HZIZXDVEBYWDRE-GFCCVEGCSA-N -1 3 319.430 2.673 20 0 DFADHM COCCS(=O)(=O)[N-]c1cccc(-c2ccccc2OC)c1 ZINC000154446379 426439860 /nfs/dbraw/zinc/43/98/60/426439860.db2.gz ACLVVIRNJZGRIF-UHFFFAOYSA-N -1 3 321.398 2.750 20 0 DFADHM CC(=O)NCCCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000123560126 426440916 /nfs/dbraw/zinc/44/09/16/426440916.db2.gz QIKGTZCCBNAWEO-UHFFFAOYSA-N -1 3 320.433 2.895 20 0 DFADHM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000177099739 426444415 /nfs/dbraw/zinc/44/44/15/426444415.db2.gz GLWATBJYWVBDTL-VHSXEESVSA-N -1 3 311.765 2.964 20 0 DFADHM O=C([O-])C1(NCc2cc(C(F)(F)F)ccc2F)CCOCC1 ZINC000340699775 269001421 /nfs/dbraw/zinc/00/14/21/269001421.db2.gz VBPJSUOGRVIBEW-UHFFFAOYSA-N -1 3 321.270 2.568 20 0 DFADHM Cc1cc2cccnc2c([N-]S(=O)(=O)N2CCC(C)CC2)c1 ZINC000340970104 269029790 /nfs/dbraw/zinc/02/97/90/269029790.db2.gz VTHSHIGOQOHRIT-UHFFFAOYSA-N -1 3 319.430 2.932 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2c[n-]c3ccncc3c2=O)cc1 ZINC000340999999 269035791 /nfs/dbraw/zinc/03/57/91/269035791.db2.gz HCOHXUTXDJPLLW-UHFFFAOYSA-N -1 3 307.353 2.504 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCCCC3)c[n-]c12 ZINC000154796884 426454797 /nfs/dbraw/zinc/45/47/97/426454797.db2.gz LZWLCFHWODXLHE-UHFFFAOYSA-N -1 3 302.349 2.992 20 0 DFADHM Cc1cccc(C(=O)NCc2ccccc2-n2ccnc2)c1[O-] ZINC000097676650 426471939 /nfs/dbraw/zinc/47/19/39/426471939.db2.gz RZABTSYWYAHOAU-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CCCO2)c(Cl)cc1F ZINC000124153259 426472815 /nfs/dbraw/zinc/47/28/15/426472815.db2.gz GVEGPVLZBVJSAY-CYBMUJFWSA-N -1 3 321.801 2.635 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c(Cl)cc1F ZINC000124247962 426476031 /nfs/dbraw/zinc/47/60/31/426476031.db2.gz FSKUDYIZWLBXLY-VIFPVBQESA-N -1 3 323.842 2.961 20 0 DFADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cncc(F)c3)cc2)n1 ZINC000124381620 426482240 /nfs/dbraw/zinc/48/22/40/426482240.db2.gz WRIKKKGAFUVYBF-UHFFFAOYSA-N -1 3 324.315 2.532 20 0 DFADHM O=C(CCc1nc(-c2ccoc2)no1)Nc1ccc([O-])cc1F ZINC000124390482 426482662 /nfs/dbraw/zinc/48/26/62/426482662.db2.gz KZIJPBRYBQYTMJ-UHFFFAOYSA-N -1 3 317.276 2.746 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1cccs1 ZINC000177479453 426482713 /nfs/dbraw/zinc/48/27/13/426482713.db2.gz QNGMLMLRWGVLEY-MRVPVSSYSA-N -1 3 303.430 2.858 20 0 DFADHM CCC(CC)N1C[C@@H](C(=O)Nc2ccc([O-])cc2F)CC1=O ZINC000124374303 426482812 /nfs/dbraw/zinc/48/28/12/426482812.db2.gz HKBWPDYJIXCAHJ-JTQLQIEISA-N -1 3 308.353 2.507 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1cccs1 ZINC000177479438 426482960 /nfs/dbraw/zinc/48/29/60/426482960.db2.gz QNGMLMLRWGVLEY-QMMMGPOBSA-N -1 3 303.430 2.858 20 0 DFADHM COCC1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000186332072 426506165 /nfs/dbraw/zinc/50/61/65/426506165.db2.gz DBTMGLOEHKKYOT-UHFFFAOYSA-N -1 3 303.402 2.770 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1[O-] ZINC000272362398 426507433 /nfs/dbraw/zinc/50/74/33/426507433.db2.gz BQEIZMBEFUMNJR-CYBMUJFWSA-N -1 3 305.374 2.647 20 0 DFADHM COC(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)o1 ZINC000186342176 426508106 /nfs/dbraw/zinc/50/81/06/426508106.db2.gz NMZFSBVOPRGZDW-SNVBAGLBSA-N -1 3 315.325 2.926 20 0 DFADHM COC(=O)c1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)o1 ZINC000186342194 426509209 /nfs/dbraw/zinc/50/92/09/426509209.db2.gz NMZFSBVOPRGZDW-JTQLQIEISA-N -1 3 315.325 2.926 20 0 DFADHM CO[C@]1(C)CCCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000280183917 426514771 /nfs/dbraw/zinc/51/47/71/426514771.db2.gz ZWYKKJNNCCOZNN-GOSISDBHSA-N -1 3 314.385 2.972 20 0 DFADHM Cc1ccc(C(=O)N(C)CC(F)(F)Br)c([O-])c1 ZINC000288250046 426517332 /nfs/dbraw/zinc/51/73/32/426517332.db2.gz OZUUSHABKRKMPB-UHFFFAOYSA-N -1 3 308.122 2.760 20 0 DFADHM CSc1nnc(NC(=O)CCOc2ccc(C)cc2C)[n-]1 ZINC000264218377 426519420 /nfs/dbraw/zinc/51/94/20/426519420.db2.gz TVSSZSGGEKCKPD-UHFFFAOYSA-N -1 3 306.391 2.551 20 0 DFADHM CSc1n[n-]c(NC(=O)CCOc2ccc(C)cc2C)n1 ZINC000264218377 426519423 /nfs/dbraw/zinc/51/94/23/426519423.db2.gz TVSSZSGGEKCKPD-UHFFFAOYSA-N -1 3 306.391 2.551 20 0 DFADHM CSc1nc(NC(=O)CCOc2ccc(C)cc2C)n[n-]1 ZINC000264218377 426519427 /nfs/dbraw/zinc/51/94/27/426519427.db2.gz TVSSZSGGEKCKPD-UHFFFAOYSA-N -1 3 306.391 2.551 20 0 DFADHM Cn1ccnc1C[C@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186405671 426521634 /nfs/dbraw/zinc/52/16/34/426521634.db2.gz QRLUYROEAWJYLT-CYBMUJFWSA-N -1 3 303.381 2.720 20 0 DFADHM COC(=O)c1cc([N-]C(=O)c2ocnc2C2CC2)c(F)cc1F ZINC000288431940 426524773 /nfs/dbraw/zinc/52/47/73/426524773.db2.gz HZBPTRIQRQLXDO-UHFFFAOYSA-N -1 3 322.267 2.869 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@@H](C)Cn2ccnc2C)c1 ZINC000195446005 426526393 /nfs/dbraw/zinc/52/63/93/426526393.db2.gz DPUBIZXAPDIORZ-GFCCVEGCSA-N -1 3 301.390 2.526 20 0 DFADHM Cc1cc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)ccc1[O-] ZINC000272445717 426526640 /nfs/dbraw/zinc/52/66/40/426526640.db2.gz MYCFUWHRQIMKAH-UHFFFAOYSA-N -1 3 324.380 2.604 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)COCc3ccccc3)[n-]2)o1 ZINC000177826081 426526829 /nfs/dbraw/zinc/52/68/29/426526829.db2.gz PMPBGGXEPATPBF-UHFFFAOYSA-N -1 3 312.329 2.528 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)COCc3ccccc3)n2)o1 ZINC000177826081 426526832 /nfs/dbraw/zinc/52/68/32/426526832.db2.gz PMPBGGXEPATPBF-UHFFFAOYSA-N -1 3 312.329 2.528 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)COCc3ccccc3)n[n-]2)o1 ZINC000177826081 426526835 /nfs/dbraw/zinc/52/68/35/426526835.db2.gz PMPBGGXEPATPBF-UHFFFAOYSA-N -1 3 312.329 2.528 20 0 DFADHM COc1cc(C(=O)Nc2cc(F)cc(F)c2)cc(OC)c1[O-] ZINC000186439186 426527876 /nfs/dbraw/zinc/52/78/76/426527876.db2.gz JSOTZYVTXKWDFN-UHFFFAOYSA-N -1 3 309.268 2.940 20 0 DFADHM Cc1cc(C(=O)N2CC[C@@H](OCc3ccccn3)C2)ccc1[O-] ZINC000272476708 426535632 /nfs/dbraw/zinc/53/56/32/426535632.db2.gz QGNABPPLFSSMKW-MRXNPFEDSA-N -1 3 312.369 2.527 20 0 DFADHM COc1nnc(NC(=O)c2ccccc2CCC(F)(F)F)[n-]1 ZINC000272497147 426539814 /nfs/dbraw/zinc/53/98/14/426539814.db2.gz NNXDLOKLBLVLQP-UHFFFAOYSA-N -1 3 314.267 2.561 20 0 DFADHM COc1nc(NC(=O)c2ccccc2CCC(F)(F)F)n[n-]1 ZINC000272497147 426539820 /nfs/dbraw/zinc/53/98/20/426539820.db2.gz NNXDLOKLBLVLQP-UHFFFAOYSA-N -1 3 314.267 2.561 20 0 DFADHM COc1n[n-]c(NC(=O)c2ccccc2CCC(F)(F)F)n1 ZINC000272497147 426539823 /nfs/dbraw/zinc/53/98/23/426539823.db2.gz NNXDLOKLBLVLQP-UHFFFAOYSA-N -1 3 314.267 2.561 20 0 DFADHM COC(=O)CCCO[N-]C(=O)Nc1cccc2c1CCCC2 ZINC000288865700 426544037 /nfs/dbraw/zinc/54/40/37/426544037.db2.gz QELYZWRPVRSWHQ-UHFFFAOYSA-N -1 3 306.362 2.572 20 0 DFADHM [O-]c1cc(F)cc(CN2CCN(c3ccccc3O)CC2)c1 ZINC000186155880 426489274 /nfs/dbraw/zinc/48/92/74/426489274.db2.gz IHMFHQTUQJDOMK-UHFFFAOYSA-N -1 3 302.349 2.559 20 0 DFADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1ccc(F)cc1F ZINC000186168254 426490490 /nfs/dbraw/zinc/49/04/90/426490490.db2.gz NTRLHRFBZXWKBT-LBPRGKRZSA-N -1 3 319.373 2.592 20 0 DFADHM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000194773630 426492269 /nfs/dbraw/zinc/49/22/69/426492269.db2.gz AZMGCGDEYWYCTD-ZYHUDNBSSA-N -1 3 315.373 2.613 20 0 DFADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000194768518 426492659 /nfs/dbraw/zinc/49/26/59/426492659.db2.gz HUEAALDGAOSXOP-YGRLFVJLSA-N -1 3 315.373 2.613 20 0 DFADHM CN1CC[C@@H]([N-]C(=O)C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194807538 426493185 /nfs/dbraw/zinc/49/31/85/426493185.db2.gz BQCGZELGUFQBRB-MNOVXSKESA-N -1 3 306.715 2.606 20 0 DFADHM [O-]c1cc(F)cc(CN2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000186200613 426493760 /nfs/dbraw/zinc/49/37/60/426493760.db2.gz VOEXDYSYRRKETG-KRWDZBQOSA-N -1 3 309.381 2.691 20 0 DFADHM Cc1nc(C)n(C[C@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)n1 ZINC000186220288 426494985 /nfs/dbraw/zinc/49/49/85/426494985.db2.gz KHALUOAUUYCRKF-AWEZNQCLSA-N -1 3 318.396 2.652 20 0 DFADHM C[C@H]1CCN(C(=O)c2ccc3nncn3c2)c2c([O-])cccc21 ZINC000186281787 426500585 /nfs/dbraw/zinc/50/05/85/426500585.db2.gz TXIGRHCRQOWWBO-NSHDSACASA-N -1 3 308.341 2.589 20 0 DFADHM C[C@@H]1CCN(C(=O)CNC(=O)CC(C)(C)C)c2c([O-])cccc21 ZINC000186292015 426500943 /nfs/dbraw/zinc/50/09/43/426500943.db2.gz WTELNIWSLLPNRF-GFCCVEGCSA-N -1 3 318.417 2.785 20 0 DFADHM O=S(=O)([N-]C1CCSCC1)c1ccc(F)cc1Cl ZINC000195140511 426502629 /nfs/dbraw/zinc/50/26/29/426502629.db2.gz FLBXKLYJDFYANC-UHFFFAOYSA-N -1 3 309.815 2.653 20 0 DFADHM CCOc1cc(-c2noc([C@H]3CC[C@H]3C(=O)OC)n2)ccc1[O-] ZINC000288998209 426566539 /nfs/dbraw/zinc/56/65/39/426566539.db2.gz DFXOQQRBOMDAHS-WDEREUQCSA-N -1 3 318.329 2.508 20 0 DFADHM CC1(c2ccccc2)CC(NC(=O)c2ccc3n[n-]nc3c2)C1 ZINC000264512549 426566736 /nfs/dbraw/zinc/56/67/36/426566736.db2.gz UIYRSLKNNGGVAZ-UHFFFAOYSA-N -1 3 306.369 2.808 20 0 DFADHM COc1cc(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)ccc1[O-] ZINC000272592893 426567715 /nfs/dbraw/zinc/56/77/15/426567715.db2.gz CUOBNQBCCHKWDC-BLLLJJGKSA-N -1 3 315.369 2.643 20 0 DFADHM COc1cc(C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)ccc1[O-] ZINC000272592895 426568223 /nfs/dbraw/zinc/56/82/23/426568223.db2.gz CUOBNQBCCHKWDC-LRDDRELGSA-N -1 3 315.369 2.643 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)C(C)C ZINC000226472028 426620616 /nfs/dbraw/zinc/62/06/16/426620616.db2.gz ORMXWLXUCSLDBK-SNVBAGLBSA-N -1 3 319.448 2.556 20 0 DFADHM CCOc1cc(-c2noc(C[C@@H]3CCC(=O)[C@@H]3C)n2)ccc1[O-] ZINC000289073868 426578412 /nfs/dbraw/zinc/57/84/12/426578412.db2.gz IMELGJMYVOFRJH-MNOVXSKESA-N -1 3 316.357 2.999 20 0 DFADHM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)s2)CCO[C@H]1C1CC1 ZINC000273081289 426589750 /nfs/dbraw/zinc/58/97/50/426589750.db2.gz LHBQVMOYFFEGON-NWDGAFQWSA-N -1 3 321.851 2.637 20 0 DFADHM Cn1nc(-c2ccccc2)nc1[N-]C(=O)c1ocnc1C1CC1 ZINC000289128210 426589902 /nfs/dbraw/zinc/58/99/02/426589902.db2.gz XPOKWIMKIKESBH-UHFFFAOYSA-N -1 3 309.329 2.600 20 0 DFADHM Cc1cccc([C@@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C2)c1 ZINC000273222301 426621326 /nfs/dbraw/zinc/62/13/26/426621326.db2.gz KYPQKCXCJGNCFT-OAHLLOKOSA-N -1 3 306.369 2.896 20 0 DFADHM Cc1ccccc1[C@H](C)CC(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273167999 426606235 /nfs/dbraw/zinc/60/62/35/426606235.db2.gz CDWDDQNRVHYNPW-CYBMUJFWSA-N -1 3 311.385 2.569 20 0 DFADHM CSc1nnc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)[n-]1 ZINC000265286993 426612531 /nfs/dbraw/zinc/61/25/31/426612531.db2.gz QIVSPHJPWVURCG-RQJHMYQMSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC000265286993 426612532 /nfs/dbraw/zinc/61/25/32/426612532.db2.gz QIVSPHJPWVURCG-RQJHMYQMSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1nc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)n[n-]1 ZINC000265286993 426612538 /nfs/dbraw/zinc/61/25/38/426612538.db2.gz QIVSPHJPWVURCG-RQJHMYQMSA-N -1 3 310.329 2.547 20 0 DFADHM Cc1nc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)n(C)n1 ZINC000186952728 426613851 /nfs/dbraw/zinc/61/38/51/426613851.db2.gz CRQMYCGQKSKVET-UHFFFAOYSA-N -1 3 323.765 2.746 20 0 DFADHM CCOc1cc([C@@H]2NC(=O)[C@@H]3C[C@@H](C)CCN23)cc(Cl)c1[O-] ZINC000186601644 426560474 /nfs/dbraw/zinc/56/04/74/426560474.db2.gz BAFOCHBRSWDAMJ-ONENECBXSA-N -1 3 324.808 2.673 20 0 DFADHM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OC)cc1[O-] ZINC000273437278 426663511 /nfs/dbraw/zinc/66/35/11/426663511.db2.gz MFWMNGPMISIUCC-UHFFFAOYSA-N -1 3 323.389 2.595 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]1O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000178625285 426664893 /nfs/dbraw/zinc/66/48/93/426664893.db2.gz HANHKJISCLZVKO-NVXWUHKLSA-N -1 3 313.353 2.828 20 0 DFADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000273445535 426665525 /nfs/dbraw/zinc/66/55/25/426665525.db2.gz CCJFQGBGZYLWLX-NXEZZACHSA-N -1 3 323.867 2.885 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NCc1ccn2ccnc2c1 ZINC000178644631 426668928 /nfs/dbraw/zinc/66/89/28/426668928.db2.gz BKIDEPXTWJJEAF-UHFFFAOYSA-N -1 3 315.760 2.552 20 0 DFADHM Cc1nnc(CNC(=O)c2ccc(C(C)C)cc2[O-])n1C1CC1 ZINC000273466035 426670024 /nfs/dbraw/zinc/67/00/24/426670024.db2.gz HFCZVAMDFRTXMS-UHFFFAOYSA-N -1 3 314.389 2.680 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000273475979 426670874 /nfs/dbraw/zinc/67/08/74/426670874.db2.gz KFTWZQSCDDQSKK-UHFFFAOYSA-N -1 3 300.314 2.509 20 0 DFADHM COc1ccc(CCC(=O)Nc2nc(C)ccc2[O-])cc1OC ZINC000273522600 426677959 /nfs/dbraw/zinc/67/79/59/426677959.db2.gz QSKHKDZUKLMEKL-UHFFFAOYSA-N -1 3 316.357 2.684 20 0 DFADHM C[C@@]1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCO[C@H]1C1CC1 ZINC000273555430 426685451 /nfs/dbraw/zinc/68/54/51/426685451.db2.gz VOZAHISMZYGBQZ-FUHWJXTLSA-N -1 3 312.369 2.628 20 0 DFADHM COc1cccc(-c2noc([C@H](C)[N-]C(=O)C(C)(F)F)n2)c1 ZINC000289296247 426623406 /nfs/dbraw/zinc/62/34/06/426623406.db2.gz UUVFTGVTGUOUHA-QMMMGPOBSA-N -1 3 311.288 2.578 20 0 DFADHM O=C([N-]C1=NCCS1)c1c(F)cc(C(F)(F)F)cc1F ZINC000289308408 426625228 /nfs/dbraw/zinc/62/52/28/426625228.db2.gz DTBCJHCWHZRNKX-UHFFFAOYSA-N -1 3 310.247 2.816 20 0 DFADHM Cc1cc(CS(=O)(=O)[N-]Cc2oc3ccccc3c2C)no1 ZINC000265376713 426627373 /nfs/dbraw/zinc/62/73/73/426627373.db2.gz XINHOERVKPKXGQ-UHFFFAOYSA-N -1 3 320.370 2.657 20 0 DFADHM CC(F)(F)C(=O)[N-][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000289318866 426627831 /nfs/dbraw/zinc/62/78/31/426627831.db2.gz WYENTXPLCPKEAY-SNVBAGLBSA-N -1 3 316.735 2.607 20 0 DFADHM Cc1ccc(C)c(OCCCCC(=O)[N-]OC[C@H]2CCOC2)c1 ZINC000187885638 426703793 /nfs/dbraw/zinc/70/37/93/426703793.db2.gz 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/nfs/dbraw/zinc/30/44/22/427304422.db2.gz LABNUBFBSNXOIV-UHFFFAOYSA-N -1 3 324.377 2.574 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(OC)cc(-n2cccn2)c1 ZINC000297178570 427352657 /nfs/dbraw/zinc/35/26/57/427352657.db2.gz RKCCXUUAAILMFX-GFCCVEGCSA-N -1 3 318.377 2.980 20 0 DFADHM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(F)ccc2[O-])n[nH]1 ZINC000277783922 427315476 /nfs/dbraw/zinc/31/54/76/427315476.db2.gz JLGIYUHTHDTELT-BDAKNGLRSA-N -1 3 306.341 2.654 20 0 DFADHM CC(C)(O)CON=C([O-])Nc1ccc(Oc2ccccc2)cn1 ZINC000297080452 427322938 /nfs/dbraw/zinc/32/29/38/427322938.db2.gz FAWDCKUTTZVAIT-UHFFFAOYSA-N -1 3 317.345 2.698 20 0 DFADHM CC(C)(O)CO[N-]C(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC000297080452 427322942 /nfs/dbraw/zinc/32/29/42/427322942.db2.gz FAWDCKUTTZVAIT-UHFFFAOYSA-N -1 3 317.345 2.698 20 0 DFADHM C[C@H](c1ccc(NC(=O)[N-]OCC2CC2)cc1)N1CCOCC1 ZINC000293447597 427328389 /nfs/dbraw/zinc/32/83/89/427328389.db2.gz VNGFJFBBJMDDIF-CYBMUJFWSA-N -1 3 319.405 2.543 20 0 DFADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000277821736 427328762 /nfs/dbraw/zinc/32/87/62/427328762.db2.gz XBNRWDQKJPXNDF-ZYHUDNBSSA-N -1 3 308.382 2.501 20 0 DFADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000277821736 427328766 /nfs/dbraw/zinc/32/87/66/427328766.db2.gz XBNRWDQKJPXNDF-ZYHUDNBSSA-N -1 3 308.382 2.501 20 0 DFADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000277821736 427328771 /nfs/dbraw/zinc/32/87/71/427328771.db2.gz XBNRWDQKJPXNDF-ZYHUDNBSSA-N -1 3 308.382 2.501 20 0 DFADHM COc1ccccc1[C@H]([N-]C(=O)C(C)(F)F)c1ccccn1 ZINC000293489686 427340293 /nfs/dbraw/zinc/34/02/93/427340293.db2.gz PHHCBZVZPVJINU-AWEZNQCLSA-N -1 3 306.312 2.951 20 0 DFADHM C[C@@H](c1nc(C(C)(C)C)no1)S(=O)(=O)c1cccc([O-])c1 ZINC000183980947 427370830 /nfs/dbraw/zinc/37/08/30/427370830.db2.gz PSRWASXDFINCNA-VIFPVBQESA-N -1 3 310.375 2.608 20 0 DFADHM Cc1cccc(C(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1[O-] ZINC000293593770 427371897 /nfs/dbraw/zinc/37/18/97/427371897.db2.gz 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O=C([O-])c1cccc(NCCCN2CCc3ccccc3C2)n1 ZINC000262968164 427386824 /nfs/dbraw/zinc/38/68/24/427386824.db2.gz ASMWAOAVNHDADZ-UHFFFAOYSA-N -1 3 311.385 2.640 20 0 DFADHM O=C(NC1(c2c(Cl)cccc2Cl)CCC1)c1c[n-]nn1 ZINC000278051296 427392053 /nfs/dbraw/zinc/39/20/53/427392053.db2.gz INHSHLDITCKSPM-UHFFFAOYSA-N -1 3 311.172 2.921 20 0 DFADHM O=C(NC1(c2c(Cl)cccc2Cl)CCC1)c1cnn[n-]1 ZINC000278051296 427392058 /nfs/dbraw/zinc/39/20/58/427392058.db2.gz INHSHLDITCKSPM-UHFFFAOYSA-N -1 3 311.172 2.921 20 0 DFADHM O=C(NC1(c2c(Cl)cccc2Cl)CCC1)c1cn[n-]n1 ZINC000278051296 427392066 /nfs/dbraw/zinc/39/20/66/427392066.db2.gz INHSHLDITCKSPM-UHFFFAOYSA-N -1 3 311.172 2.921 20 0 DFADHM CCC[C@]1(COC)CCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000278050180 427392184 /nfs/dbraw/zinc/39/21/84/427392184.db2.gz KMKQEACBZXTYGV-QGZVFWFLSA-N -1 3 307.390 2.822 20 0 DFADHM CC(C)(CO)O[N-]C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000297305384 427395619 /nfs/dbraw/zinc/39/56/19/427395619.db2.gz VCPDHLRGUNHMFW-VXGBXAGGSA-N -1 3 318.200 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CCOc1cc(C(=O)[N-]c2cccnc2C(F)(F)F)on1 ZINC000297813404 427460957 /nfs/dbraw/zinc/46/09/57/427460957.db2.gz PODJZKBGGIQMGX-UHFFFAOYSA-N -1 3 301.224 2.739 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(C)(C)O ZINC000293847803 427461795 /nfs/dbraw/zinc/46/17/95/427461795.db2.gz RBLGEOQFKNJOBR-QMMMGPOBSA-N -1 3 311.856 2.538 20 0 DFADHM C[C@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CN1C1CC1 ZINC000184486979 427470422 /nfs/dbraw/zinc/47/04/22/427470422.db2.gz UJOWQTFCPUVLJN-WCBMZHEXSA-N -1 3 312.772 2.540 20 0 DFADHM Cc1cc(C)cc(NC(=O)[C@H](C)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263370236 427474263 /nfs/dbraw/zinc/47/42/63/427474263.db2.gz VDLGOEOAOUCBHY-QLFBSQMISA-N -1 3 318.417 2.673 20 0 DFADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCO1 ZINC000271265028 427474554 /nfs/dbraw/zinc/47/45/54/427474554.db2.gz LYBHYNLJGUJJOW-NXEZZACHSA-N -1 3 321.801 2.573 20 0 DFADHM O=C(Cc1ccc(F)cc1Br)[N-]OCC1CC1 ZINC000293888259 427476129 /nfs/dbraw/zinc/47/61/29/427476129.db2.gz 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CC[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(OC)OC ZINC000298853819 427717922 /nfs/dbraw/zinc/71/79/22/427717922.db2.gz FOFXNCGJVUABMQ-LLVKDONJSA-N -1 3 321.751 2.946 20 0 DFADHM O=C([N-]c1nncn1-c1cccnc1)[C@H](F)CC1CCCCC1 ZINC000287935966 427719195 /nfs/dbraw/zinc/71/91/95/427719195.db2.gz AQHOEHBARXUDHY-CQSZACIVSA-N -1 3 317.368 2.909 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N2[C@@H](C)CCC[C@@H]2C)c([O-])c1 ZINC000185864638 427720585 /nfs/dbraw/zinc/72/05/85/427720585.db2.gz DDMCEXKAVBXISM-KBPBESRZSA-N -1 3 318.417 2.610 20 0 DFADHM Cn1ccnc1[C@@H]1OCCC[C@H]1NCc1cccc([O-])c1Cl ZINC000339356588 427759502 /nfs/dbraw/zinc/75/95/02/427759502.db2.gz ANTXMKYUUDFZNL-IUODEOHRSA-N -1 3 321.808 2.789 20 0 DFADHM Cc1c([C@H]2OCC[C@@H]2NCc2cccc([O-])c2Cl)cnn1C ZINC000339359450 427759592 /nfs/dbraw/zinc/75/95/92/427759592.db2.gz PIXHCZAJTFMYMU-XJKSGUPXSA-N -1 3 321.808 2.707 20 0 DFADHM COc1cccc(Cl)c1CNc1ccc2c(c1)C(=O)[N-]C2=O ZINC000336859564 427763869 /nfs/dbraw/zinc/76/38/69/427763869.db2.gz 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O=S(=O)([N-][C@H]1CCCC[C@H]1OC(F)F)c1ccccc1F ZINC000337147188 427805634 /nfs/dbraw/zinc/80/56/34/427805634.db2.gz PSZMWQJCQCNZIM-WDEREUQCSA-N -1 3 323.336 2.654 20 0 DFADHM O=C(NCCNc1ccnc2ccsc21)c1ccc([O-])cc1 ZINC000301561617 427805663 /nfs/dbraw/zinc/80/56/63/427805663.db2.gz YACIIBSAMXSGOT-UHFFFAOYSA-N -1 3 313.382 2.844 20 0 DFADHM CCc1ncc([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)cn1 ZINC000337145641 427805964 /nfs/dbraw/zinc/80/59/64/427805964.db2.gz XPDZXQQLNCBFRQ-UHFFFAOYSA-N -1 3 305.403 2.598 20 0 DFADHM CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NCc1nc(=O)n(C)[n-]1 ZINC000339650444 427807437 /nfs/dbraw/zinc/80/74/37/427807437.db2.gz OWOSIFUUTPWISC-MRXNPFEDSA-N -1 3 322.840 2.509 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000337255891 427824688 /nfs/dbraw/zinc/82/46/88/427824688.db2.gz SDKUGOCWOCQLMU-GFCCVEGCSA-N -1 3 310.332 2.727 20 0 DFADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]c1cncc(F)c1 ZINC000337283615 427831189 /nfs/dbraw/zinc/83/11/89/427831189.db2.gz KNEXULSZSMWVKM-UHFFFAOYSA-N -1 3 318.732 2.955 20 0 DFADHM COc1nc(C)cc(C)c1CNC(=O)c1cc([O-])ccc1Cl ZINC000339814468 427833350 /nfs/dbraw/zinc/83/33/50/427833350.db2.gz AVJJXRXMEJBAPL-UHFFFAOYSA-N -1 3 320.776 2.996 20 0 DFADHM CCOC(=O)c1cc(C(=O)[N-]c2cc(F)cc(Cl)c2)on1 ZINC000346147122 272579598 /nfs/dbraw/zinc/57/95/98/272579598.db2.gz UTWAEJDGBGZMTJ-UHFFFAOYSA-N -1 3 312.684 2.896 20 0 DFADHM Cc1cnccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000359406931 427836385 /nfs/dbraw/zinc/83/63/85/427836385.db2.gz IXSNZNKXMBQKHN-UHFFFAOYSA-N -1 3 322.333 2.693 20 0 DFADHM Cc1cc(C(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)[n-]c(=O)n1 ZINC000340435183 427847813 /nfs/dbraw/zinc/84/78/13/427847813.db2.gz CIDYAHYOTZWZAA-OAHLLOKOSA-N -1 3 315.348 2.819 20 0 DFADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CCCO1 ZINC000345833086 427925591 /nfs/dbraw/zinc/92/55/91/427925591.db2.gz AJBKUBAQOVYUCD-GOEBONIOSA-N -1 3 309.381 2.928 20 0 DFADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H](C)[C@@H](C)O1 ZINC000346365968 272629028 /nfs/dbraw/zinc/62/90/28/272629028.db2.gz TYBVSZSFPDROGZ-JHJVBQTASA-N -1 3 309.381 2.878 20 0 DFADHM COC[C@@H](Nc1nc2nncc-2c(O)[n-]1)c1ccc(Cl)cc1 ZINC000302861950 427880729 /nfs/dbraw/zinc/88/07/29/427880729.db2.gz QPWSSLUYUGIRAY-LLVKDONJSA-N -1 3 319.752 2.512 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCCc2sccc21 ZINC000349919720 427899593 /nfs/dbraw/zinc/89/95/93/427899593.db2.gz IRWZRNNEYXLAQP-LLVKDONJSA-N -1 3 303.387 2.726 20 0 DFADHM Cc1nn(C)c(N)c1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000355799182 427899948 /nfs/dbraw/zinc/89/99/48/427899948.db2.gz DAWJBMARRDWKSC-UHFFFAOYSA-N -1 3 302.378 2.566 20 0 DFADHM C[C@@H](CNC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(F)cc1 ZINC000337436148 427902973 /nfs/dbraw/zinc/90/29/73/427902973.db2.gz HQPFOWCABJLVOJ-VIFPVBQESA-N -1 3 316.311 2.770 20 0 DFADHM C[C@@H](CNC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(F)cc1 ZINC000337436148 427902975 /nfs/dbraw/zinc/90/29/75/427902975.db2.gz HQPFOWCABJLVOJ-VIFPVBQESA-N -1 3 316.311 2.770 20 0 DFADHM 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COc1n[n-]c(NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)n1 ZINC000352647705 428182965 /nfs/dbraw/zinc/18/29/65/428182965.db2.gz PVMSMWUNFHADNR-LLVKDONJSA-N -1 3 324.768 2.509 20 0 DFADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1ccccc1C ZINC000346440425 428171581 /nfs/dbraw/zinc/17/15/81/428171581.db2.gz RLHLEGCXGNRBMH-ZDUSSCGKSA-N -1 3 320.414 2.828 20 0 DFADHM [O-]c1ccc(F)c(CNCCCOCC2CCOCC2)c1F ZINC000352619386 428173539 /nfs/dbraw/zinc/17/35/39/428173539.db2.gz SGYNKJBPXLFHOG-UHFFFAOYSA-N -1 3 315.360 2.593 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c1 ZINC000346446396 428174642 /nfs/dbraw/zinc/17/46/42/428174642.db2.gz AHXBUCIHCILZOO-UHFFFAOYSA-N -1 3 301.371 2.981 20 0 DFADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nccn2ccnc12 ZINC000346543883 428211220 /nfs/dbraw/zinc/21/12/20/428211220.db2.gz DFMHLACAUIHNEY-UHFFFAOYSA-N -1 3 319.324 2.945 20 0 DFADHM O=S(=O)([N-]Cc1ccccn1)c1ccc(C(F)(F)F)s1 ZINC000360226099 428213078 /nfs/dbraw/zinc/21/30/78/428213078.db2.gz VIGNXJCLBRXQFI-UHFFFAOYSA-N -1 3 322.333 2.640 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C[C@@H]2CCC(=O)[C@H]2C)c([O-])c1 ZINC000356538643 428225019 /nfs/dbraw/zinc/22/50/19/428225019.db2.gz GYYYYMUUIDOFEN-QWRGUYRKSA-N -1 3 319.357 2.513 20 0 DFADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000360262186 428226298 /nfs/dbraw/zinc/22/62/98/428226298.db2.gz QGYQAGDMCLDYFA-UHFFFAOYSA-N -1 3 322.817 2.899 20 0 DFADHM Cc1ocnc1C(=O)[N-]c1cc(-c2cccc(Cl)c2)on1 ZINC000377788427 428228781 /nfs/dbraw/zinc/22/87/81/428228781.db2.gz YFGVLIDLQIBJIG-UHFFFAOYSA-N -1 3 303.705 3.544 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1 ZINC000370509812 428228824 /nfs/dbraw/zinc/22/88/24/428228824.db2.gz WASJMGMESZEDMR-KKUMJFAQSA-N -1 3 305.422 2.690 20 0 DFADHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000360269696 428231817 /nfs/dbraw/zinc/23/18/17/428231817.db2.gz VRNJRBCXPHHDOD-ZDUSSCGKSA-N -1 3 321.801 2.573 20 0 DFADHM O=C(Cn1cc2ccccc2n1)N1CCCc2cccc([O-])c21 ZINC000352663320 428189361 /nfs/dbraw/zinc/18/93/61/428189361.db2.gz GGNOKLGTTZHWCF-UHFFFAOYSA-N -1 3 307.353 2.721 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(CC(F)(F)F)CC2)on1 ZINC000342001258 428275100 /nfs/dbraw/zinc/27/51/00/428275100.db2.gz ZGMJBXKNUZBFET-JTQLQIEISA-N -1 3 319.327 2.974 20 0 DFADHM CO[C@@H](C)c1cccc([N-]S(=O)(=O)CC(C)(C)OC)c1 ZINC000414379312 428276028 /nfs/dbraw/zinc/27/60/28/428276028.db2.gz ILGZMJLLDIPLCB-NSHDSACASA-N -1 3 301.408 2.561 20 0 DFADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000356706464 428277261 /nfs/dbraw/zinc/27/72/61/428277261.db2.gz FAJLIOBVDWXDNL-SSDOTTSWSA-N -1 3 301.717 2.817 20 0 DFADHM C[C@@H](C[N-]S(=O)(=O)c1cccc2cccnc21)C(F)(F)F ZINC000356699888 428277825 /nfs/dbraw/zinc/27/78/25/428277825.db2.gz OLVLDHFVVVITAE-VIFPVBQESA-N -1 3 318.320 2.712 20 0 DFADHM O=S(=O)([N-]CCOCC1CC1)c1cc(Cl)cc(Cl)c1 ZINC000342043542 428285479 /nfs/dbraw/zinc/28/54/79/428285479.db2.gz JVXDJKJZEWMNAK-UHFFFAOYSA-N -1 3 324.229 2.698 20 0 DFADHM COc1ccc([O-])c(C(=O)NC2CCC3(CCOCC3)CC2)c1 ZINC000378031193 428290137 /nfs/dbraw/zinc/29/01/37/428290137.db2.gz ARWCUEWCONLSMS-UHFFFAOYSA-N -1 3 319.401 2.870 20 0 DFADHM CC(C)[C@]1(CO)CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000378041557 428292317 /nfs/dbraw/zinc/29/23/17/428292317.db2.gz OFGNZJYWOPNKQE-LJQANCHMSA-N -1 3 317.429 2.752 20 0 DFADHM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1ccc(F)cc1F ZINC000342074527 428292716 /nfs/dbraw/zinc/29/27/16/428292716.db2.gz JYAXFWMLBCXCFI-UHFFFAOYSA-N -1 3 322.336 2.925 20 0 DFADHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000360431009 428294238 /nfs/dbraw/zinc/29/42/38/428294238.db2.gz SELPHBNGDBUQRW-ZFWWWQNUSA-N -1 3 323.439 2.765 20 0 DFADHM CCCOc1ccc(CNC(=O)c2cc(C)nc(=O)[n-]2)c(C)c1 ZINC000356593466 428244991 /nfs/dbraw/zinc/24/49/91/428244991.db2.gz IPVMKXQPIWQQON-UHFFFAOYSA-N -1 3 315.373 2.518 20 0 DFADHM Cc1cccc(F)c1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000360312246 428247415 /nfs/dbraw/zinc/24/74/15/428247415.db2.gz ZVAZUMZQAMCIPT-UHFFFAOYSA-N -1 3 317.246 2.593 20 0 DFADHM Cc1cccc(F)c1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000360312246 428247420 /nfs/dbraw/zinc/24/74/20/428247420.db2.gz ZVAZUMZQAMCIPT-UHFFFAOYSA-N -1 3 317.246 2.593 20 0 DFADHM Cc1cccc(F)c1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000360312246 428247426 /nfs/dbraw/zinc/24/74/26/428247426.db2.gz ZVAZUMZQAMCIPT-UHFFFAOYSA-N -1 3 317.246 2.593 20 0 DFADHM C[C@@H](N=c1nc2[nH][n-]cc-2c(N)n1)c1ccc(Cl)c(Cl)c1 ZINC000341929977 428251996 /nfs/dbraw/zinc/25/19/96/428251996.db2.gz OOZATCATIGWSGN-ZCFIWIBFSA-N -1 3 323.187 2.789 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC(Cc2ccccc2)C1 ZINC000370614230 428253476 /nfs/dbraw/zinc/25/34/76/428253476.db2.gz MFFKBFCBWYPVRW-UHFFFAOYSA-N -1 3 318.376 2.843 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)[C@H](C)CN1C ZINC000356614260 428255811 /nfs/dbraw/zinc/25/58/11/428255811.db2.gz UJWMMVARXCHZMI-NXEZZACHSA-N -1 3 316.323 2.576 20 0 DFADHM Cc1cncnc1-c1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000346651832 428256575 /nfs/dbraw/zinc/25/65/75/428256575.db2.gz WZCQXXSRMWHMKB-UHFFFAOYSA-N -1 3 314.320 2.855 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)OCCC(C)C)c([O-])c1 ZINC000356797366 428312164 /nfs/dbraw/zinc/31/21/64/428312164.db2.gz LYAGKRBMKHEYAO-LBPRGKRZSA-N -1 3 323.389 2.959 20 0 DFADHM Cc1nccn1-c1ccc([C@H](C)NCc2cnc(C)[n-]c2=O)cc1 ZINC000346786593 428317806 /nfs/dbraw/zinc/31/78/06/428317806.db2.gz DQVQMESGIBXPBB-LBPRGKRZSA-N -1 3 323.400 2.836 20 0 DFADHM CCC1(CC)CN(Cc2c(F)ccc([O-])c2F)CC[S@@]1=O ZINC000352935936 428320359 /nfs/dbraw/zinc/32/03/59/428320359.db2.gz SJGIIYMGJMAVOL-NRFANRHFSA-N -1 3 317.401 2.794 20 0 DFADHM Cc1ncc(CN[C@H](CCc2ccccc2)C(F)F)c(=O)[n-]1 ZINC000346802620 428324996 /nfs/dbraw/zinc/32/49/96/428324996.db2.gz DIPSPUDOYNAKRR-CQSZACIVSA-N -1 3 307.344 2.847 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)c1F ZINC000360540264 428339557 /nfs/dbraw/zinc/33/95/57/428339557.db2.gz MTUIWTBKBFTHRH-LBPRGKRZSA-N -1 3 317.426 2.600 20 0 DFADHM CCCN(CC)CC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000352991571 428341610 /nfs/dbraw/zinc/34/16/10/428341610.db2.gz OWPRLSHRCMTILE-UHFFFAOYSA-N -1 3 324.899 2.720 20 0 DFADHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)C(C)(C)C ZINC000342303001 428393622 /nfs/dbraw/zinc/39/36/22/428393622.db2.gz PLTWYXADBJNHHZ-NSHDSACASA-N -1 3 323.817 2.819 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000360674475 428394462 /nfs/dbraw/zinc/39/44/62/428394462.db2.gz UBTMGXRTFWBUQR-CIHFUWIRSA-N -1 3 324.380 2.694 20 0 DFADHM Cc1noc2ncc([N-]S(=O)(=O)CCc3cccs3)cc12 ZINC000357143477 428405307 /nfs/dbraw/zinc/40/53/07/428405307.db2.gz DKWAFLQOQYPRLB-UHFFFAOYSA-N -1 3 323.399 2.577 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N(C)Cc3ccccn3)c(=O)c2c1 ZINC000347024640 428411359 /nfs/dbraw/zinc/41/13/59/428411359.db2.gz MEPVRNALRBIWQX-UHFFFAOYSA-N -1 3 307.353 2.504 20 0 DFADHM COC(=O)c1ccc2c(c1)nc(-c1cc(C)cc(C)n1)[n-]c2=O ZINC000357071393 428380918 /nfs/dbraw/zinc/38/09/18/428380918.db2.gz WRJNPVURGPVMPI-UHFFFAOYSA-N -1 3 309.325 2.801 20 0 DFADHM COc1cc(CN(C)C(=O)c2cccc([O-])c2)cc(OC)c1 ZINC000357209991 428433855 /nfs/dbraw/zinc/43/38/55/428433855.db2.gz YPDLETXEYAJKOJ-UHFFFAOYSA-N -1 3 301.342 2.682 20 0 DFADHM CC(C)(CF)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000347079373 428436136 /nfs/dbraw/zinc/43/61/36/428436136.db2.gz PPSFGUKRILCACB-UHFFFAOYSA-N -1 3 304.159 2.562 20 0 DFADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000353220902 428436449 /nfs/dbraw/zinc/43/64/49/428436449.db2.gz WGTUQJCFYFINMQ-NSHDSACASA-N -1 3 311.428 2.666 20 0 DFADHM CC(C)(CF)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000353227414 428438536 /nfs/dbraw/zinc/43/85/36/428438536.db2.gz SVTDTIMUDDAGRO-UHFFFAOYSA-N -1 3 319.174 2.702 20 0 DFADHM CSc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)[n-]1 ZINC000357222903 428441502 /nfs/dbraw/zinc/44/15/02/428441502.db2.gz VVXGSBCRVITBBJ-CBAPKCEASA-N -1 3 310.329 2.547 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)n1 ZINC000357222903 428441507 /nfs/dbraw/zinc/44/15/07/428441507.db2.gz VVXGSBCRVITBBJ-CBAPKCEASA-N -1 3 310.329 2.547 20 0 DFADHM CSc1nc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)n[n-]1 ZINC000357222903 428441514 /nfs/dbraw/zinc/44/15/14/428441514.db2.gz VVXGSBCRVITBBJ-CBAPKCEASA-N -1 3 310.329 2.547 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)[C@H](c1ccccc1)n1cccn1 ZINC000360833686 428456284 /nfs/dbraw/zinc/45/62/84/428456284.db2.gz IJHQPDARUFQXDM-INIZCTEOSA-N -1 3 311.316 2.956 20 0 DFADHM Cc1ccc(C(=O)NCc2ccn(Cc3ccccc3)n2)c([O-])c1 ZINC000390363651 428470577 /nfs/dbraw/zinc/47/05/77/428470577.db2.gz QHZQANKJGWKUEC-UHFFFAOYSA-N -1 3 321.380 2.875 20 0 DFADHM CCc1cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)OC)ccc1[O-] ZINC000347125458 428459494 /nfs/dbraw/zinc/45/94/94/428459494.db2.gz RDIQNSIERURTDR-AWEZNQCLSA-N -1 3 307.390 2.614 20 0 DFADHM COc1cc(NC(=O)c2cccc(C)c2[O-])cc(OC)c1OC ZINC000390297348 428470796 /nfs/dbraw/zinc/47/07/96/428470796.db2.gz JVPFAFITSAOXCF-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM C[C@H]1C[C@H]1c1ccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)o1 ZINC000372144333 428419498 /nfs/dbraw/zinc/41/94/98/428419498.db2.gz WIBPGTGJUNGNAD-NTSWFWBYSA-N -1 3 317.292 3.526 20 0 DFADHM CCc1cc(C(=O)Nc2ccc3oc(=O)n(C)c3c2)ccc1[O-] ZINC000342375657 428421938 /nfs/dbraw/zinc/42/19/38/428421938.db2.gz WNFNHFZLTGHYIA-UHFFFAOYSA-N -1 3 312.325 2.652 20 0 DFADHM Cc1ccc(-c2cc(-c3nc(-c4ncc(C)cn4)no3)n[n-]2)o1 ZINC000357186204 428423975 /nfs/dbraw/zinc/42/39/75/428423975.db2.gz OJYFDRPRQXCEML-UHFFFAOYSA-N -1 3 308.301 2.794 20 0 DFADHM Cc1ccc(-c2cc(-c3nc(-c4ncc(C)cn4)no3)[n-]n2)o1 ZINC000357186204 428423979 /nfs/dbraw/zinc/42/39/79/428423979.db2.gz OJYFDRPRQXCEML-UHFFFAOYSA-N -1 3 308.301 2.794 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H]1CCOc2c(F)cccc21 ZINC000378543420 428425138 /nfs/dbraw/zinc/42/51/38/428425138.db2.gz WPEQHEHMEBPVQJ-MBVDDHJVSA-N -1 3 314.316 2.580 20 0 DFADHM COc1ccc(C(=O)[N-]c2nc(-c3cccs3)ns2)nc1 ZINC000360765032 428430789 /nfs/dbraw/zinc/43/07/89/428430789.db2.gz RMTGEMPNHLKAAE-UHFFFAOYSA-N -1 3 318.383 2.923 20 0 DFADHM O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccc2ccccc2c1[O-] ZINC000372333178 428430932 /nfs/dbraw/zinc/43/09/32/428430932.db2.gz NGNDFAXYYQIXJC-LBPRGKRZSA-N -1 3 307.353 2.556 20 0 DFADHM O=C(N[C@H]1CCc2[nH]cnc2C1)c1ccc2ccccc2c1[O-] ZINC000372333178 428430940 /nfs/dbraw/zinc/43/09/40/428430940.db2.gz NGNDFAXYYQIXJC-LBPRGKRZSA-N -1 3 307.353 2.556 20 0 DFADHM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000357334965 428488723 /nfs/dbraw/zinc/48/87/23/428488723.db2.gz IYKIUUKPJGNUFD-ZWNOBZJWSA-N -1 3 311.341 2.634 20 0 DFADHM CCC[C@@H](NCc1c(F)cccc1Br)C(=O)[O-] ZINC000394682535 428489752 /nfs/dbraw/zinc/48/97/52/428489752.db2.gz CYWZUFPVBUDQSB-LLVKDONJSA-N -1 3 304.159 2.931 20 0 DFADHM COC(=O)[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000357347827 428492989 /nfs/dbraw/zinc/49/29/89/428492989.db2.gz AUSRRSPPIALGEX-AWEZNQCLSA-N -1 3 319.744 2.690 20 0 DFADHM CCc1ccc2c(c1)[C@H](CCNC(=O)c1cccc([O-])c1)C(=O)N2 ZINC000357360526 428500239 /nfs/dbraw/zinc/50/02/39/428500239.db2.gz YZAASJBIXZOUCL-HNNXBMFYSA-N -1 3 324.380 2.810 20 0 DFADHM FC(F)(F)c1nnc(CNc2ncccc2Br)[n-]1 ZINC000343008081 428505247 /nfs/dbraw/zinc/50/52/47/428505247.db2.gz HDHWIBSVHJZJNG-UHFFFAOYSA-N -1 3 322.088 2.593 20 0 DFADHM FC(F)(F)c1nc(CNc2ncccc2Br)n[n-]1 ZINC000343008081 428505251 /nfs/dbraw/zinc/50/52/51/428505251.db2.gz HDHWIBSVHJZJNG-UHFFFAOYSA-N -1 3 322.088 2.593 20 0 DFADHM FC(F)(F)c1n[n-]c(CNc2ncccc2Br)n1 ZINC000343008081 428505254 /nfs/dbraw/zinc/50/52/54/428505254.db2.gz HDHWIBSVHJZJNG-UHFFFAOYSA-N -1 3 322.088 2.593 20 0 DFADHM Cc1ncc(C[N-]S(=O)(=O)c2cccc(C)c2Cl)s1 ZINC000343011572 428507673 /nfs/dbraw/zinc/50/76/73/428507673.db2.gz NIPOBADAKPBZFX-UHFFFAOYSA-N -1 3 316.835 2.892 20 0 DFADHM O=C(c1cccc([O-])c1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000357428317 428531532 /nfs/dbraw/zinc/53/15/32/428531532.db2.gz GRESZJITGMAIAJ-UHFFFAOYSA-N -1 3 307.353 2.958 20 0 DFADHM Cc1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)ns1 ZINC000373000051 428510609 /nfs/dbraw/zinc/51/06/09/428510609.db2.gz IUSWZKGFVCWGIY-UHFFFAOYSA-N -1 3 308.413 3.284 20 0 DFADHM CSc1ccc(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC000373063761 428513687 /nfs/dbraw/zinc/51/36/87/428513687.db2.gz PVXYORBFDBULLW-ABAIWWIYSA-N -1 3 307.415 2.755 20 0 DFADHM C[C@H]1C[C@H](Nc2ncc(C(=O)[O-])s2)CN1Cc1ccccc1 ZINC000397996624 428515249 /nfs/dbraw/zinc/51/52/49/428515249.db2.gz CDPDSGVTRCWTOW-AAEUAGOBSA-N -1 3 317.414 2.916 20 0 DFADHM C[C@]1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCOC1 ZINC000357418168 428527161 /nfs/dbraw/zinc/52/71/61/428527161.db2.gz HAQHPIQGXGNKOG-LBPRGKRZSA-N -1 3 323.336 2.553 20 0 DFADHM O=S(=O)([N-]Cc1ccc(-c2ccncc2)cc1)c1ccco1 ZINC000372601067 428475198 /nfs/dbraw/zinc/47/51/98/428475198.db2.gz QTNUVUJEZXHLRV-UHFFFAOYSA-N -1 3 314.366 2.820 20 0 DFADHM CCC[C@H](C)CS(=O)(=O)[N-]Cc1nnc(C(C)C)s1 ZINC000343852479 428582205 /nfs/dbraw/zinc/58/22/05/428582205.db2.gz GQFZOGSRUHMAGA-JTQLQIEISA-N -1 3 305.469 2.517 20 0 DFADHM COc1ccccc1[C@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000373463390 428583330 /nfs/dbraw/zinc/58/33/30/428583330.db2.gz ZMLLZRABRQIUNK-GFCCVEGCSA-N -1 3 304.371 2.835 20 0 DFADHM C[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C[C@H](C)C1 ZINC000407967507 428584535 /nfs/dbraw/zinc/58/45/35/428584535.db2.gz PYCICQCYSGKAPH-QWHCGFSZSA-N -1 3 324.446 2.566 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCCN1c1ccccc1 ZINC000373325563 428548723 /nfs/dbraw/zinc/54/87/23/428548723.db2.gz URCIFNWTHKUGEI-INIZCTEOSA-N -1 3 314.360 2.817 20 0 DFADHM FC(F)(F)c1nnc([N-]Cc2cnc(-c3ccco3)s2)o1 ZINC000357692165 428555930 /nfs/dbraw/zinc/55/59/30/428555930.db2.gz ABGJFQMGRRKKIR-UHFFFAOYSA-N -1 3 316.264 3.417 20 0 DFADHM CC[C@H]1CCCC[C@@H]1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000361329960 428557655 /nfs/dbraw/zinc/55/76/55/428557655.db2.gz FZNFSQLQWNFBHZ-IUCAKERBSA-N -1 3 319.331 2.592 20 0 DFADHM CC[C@H]1CCCC[C@@H]1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000361329960 428557659 /nfs/dbraw/zinc/55/76/59/428557659.db2.gz FZNFSQLQWNFBHZ-IUCAKERBSA-N -1 3 319.331 2.592 20 0 DFADHM CC[C@H]1CCCC[C@@H]1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361329960 428557664 /nfs/dbraw/zinc/55/76/64/428557664.db2.gz FZNFSQLQWNFBHZ-IUCAKERBSA-N -1 3 319.331 2.592 20 0 DFADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000357914271 428572728 /nfs/dbraw/zinc/57/27/28/428572728.db2.gz RYURYLBVYFHRAS-NHYWBVRUSA-N -1 3 305.422 2.769 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCCC[C@H](CO)C1 ZINC000373536061 428599784 /nfs/dbraw/zinc/59/97/84/428599784.db2.gz NGSZUWCDIPYWGP-JTQLQIEISA-N -1 3 317.307 2.646 20 0 DFADHM CC[C@@H](C)c1cc(C(=O)[N-]c2n[nH]cc2Br)on1 ZINC000353639006 428634143 /nfs/dbraw/zinc/63/41/43/428634143.db2.gz VCEPFEXEMXHERH-ZCFIWIBFSA-N -1 3 313.155 2.926 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2F)o1 ZINC000358469522 428600798 /nfs/dbraw/zinc/60/07/98/428600798.db2.gz KTJYQLBBCVMZRY-SECBINFHSA-N -1 3 301.314 2.906 20 0 DFADHM CS[C@H](C[N-]S(=O)(=O)c1ccccc1F)C(C)(C)C ZINC000343996112 428600939 /nfs/dbraw/zinc/60/09/39/428600939.db2.gz XBEGJAPARNPYAR-GFCCVEGCSA-N -1 3 305.440 2.882 20 0 DFADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000408084489 428601421 /nfs/dbraw/zinc/60/14/21/428601421.db2.gz QLPGZEKVIYULHJ-CBAPKCEASA-N -1 3 300.152 2.518 20 0 DFADHM CC1(C)CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000408149012 428608808 /nfs/dbraw/zinc/60/88/08/428608808.db2.gz GCIOXPWXAVMGFQ-UHFFFAOYSA-N -1 3 306.312 2.678 20 0 DFADHM CCCN1CCN(C(=O)c2cc([O-])ccc2Cl)C(C)(C)C1=O ZINC000347582450 428610589 /nfs/dbraw/zinc/61/05/89/428610589.db2.gz FHYDWRPMBNCRBE-UHFFFAOYSA-N -1 3 324.808 2.519 20 0 DFADHM CC(Cl)(Cl)C(=O)[N-]Cc1noc(-c2cccc(F)c2)n1 ZINC000373599534 428615669 /nfs/dbraw/zinc/61/56/69/428615669.db2.gz YMSFGHAXZQMOBX-UHFFFAOYSA-N -1 3 318.135 2.686 20 0 DFADHM CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCC(C)(C)C1 ZINC000358644922 428617346 /nfs/dbraw/zinc/61/73/46/428617346.db2.gz XFFMFBYVBSIWOW-LLVKDONJSA-N -1 3 315.373 2.613 20 0 DFADHM CC[C@H](C)[C@H](NCc1nc(=O)n(C)[n-]1)c1ccc(Cl)cc1 ZINC000347669110 428619118 /nfs/dbraw/zinc/61/91/18/428619118.db2.gz 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ZINC000192534790 274116137 /nfs/dbraw/zinc/11/61/37/274116137.db2.gz NNUZADKLBJSKLN-ZDUSSCGKSA-N -1 3 317.389 2.571 20 0 DFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000408350735 428646146 /nfs/dbraw/zinc/64/61/46/428646146.db2.gz VMGSFZJKNZGYLL-UWVGGRQHSA-N -1 3 318.323 2.678 20 0 DFADHM C[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@H]1CO ZINC000408416767 428657316 /nfs/dbraw/zinc/65/73/16/428657316.db2.gz VUEZDWLQEHHDIT-LRDDRELGSA-N -1 3 303.402 2.504 20 0 DFADHM C[C@@H]1C[C@H](CNC(=O)c2ccc3c(c2[O-])CCCC3)CCO1 ZINC000408415346 428657796 /nfs/dbraw/zinc/65/77/96/428657796.db2.gz NTOKURPAHFPALP-CHWSQXEVSA-N -1 3 303.402 2.816 20 0 DFADHM C[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@H]1CO ZINC000408416769 428657916 /nfs/dbraw/zinc/65/79/16/428657916.db2.gz VUEZDWLQEHHDIT-WBMJQRKESA-N -1 3 303.402 2.504 20 0 DFADHM CCc1oc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc1C ZINC000362188112 428652998 /nfs/dbraw/zinc/65/29/98/428652998.db2.gz FWLMRLHMTGVIED-UHFFFAOYSA-N -1 3 319.308 3.359 20 0 DFADHM C[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])CCN1C ZINC000408410717 428654752 /nfs/dbraw/zinc/65/47/52/428654752.db2.gz XTEZCECIMAATDN-DTWKUNHWSA-N -1 3 317.216 2.912 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1CCCC[C@@H]1OC ZINC000410619503 428699385 /nfs/dbraw/zinc/69/93/85/428699385.db2.gz CKMCKIUJOQRPNN-MNOVXSKESA-N -1 3 324.377 2.557 20 0 DFADHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000344750190 428701760 /nfs/dbraw/zinc/70/17/60/428701760.db2.gz FAWTXVITRRTSIE-VHSXEESVSA-N -1 3 322.352 2.815 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCOCC1CC1 ZINC000344757204 428703078 /nfs/dbraw/zinc/70/30/78/428703078.db2.gz WUFQTQNKORUAKM-UHFFFAOYSA-N -1 3 309.381 2.787 20 0 DFADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000353764707 428703510 /nfs/dbraw/zinc/70/35/10/428703510.db2.gz HQXOKLQSJJCUET-GFCCVEGCSA-N -1 3 311.345 2.894 20 0 DFADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000353764707 428703517 /nfs/dbraw/zinc/70/35/17/428703517.db2.gz HQXOKLQSJJCUET-GFCCVEGCSA-N -1 3 311.345 2.894 20 0 DFADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000353764707 428703524 /nfs/dbraw/zinc/70/35/24/428703524.db2.gz HQXOKLQSJJCUET-GFCCVEGCSA-N -1 3 311.345 2.894 20 0 DFADHM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@H]1CC1(C)C ZINC000416273438 428706584 /nfs/dbraw/zinc/70/65/84/428706584.db2.gz GJGUCWYVFBKADM-ZIAGYGMSSA-N -1 3 324.446 2.613 20 0 DFADHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000344828091 428711122 /nfs/dbraw/zinc/71/11/22/428711122.db2.gz RGIFQKSUGPTEHL-ZJUUUORDSA-N -1 3 322.352 2.815 20 0 DFADHM Cn1cc2c(n1)CCC[C@@H]2NC(=O)Cc1ccc([O-])cc1Cl ZINC000374622105 428714233 /nfs/dbraw/zinc/71/42/33/428714233.db2.gz YHKZMLIQCAJPHD-AWEZNQCLSA-N -1 3 319.792 2.515 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@H]2CCN(CC(F)F)C2)c([O-])c1 ZINC000416355548 428723208 /nfs/dbraw/zinc/72/32/08/428723208.db2.gz TVNUOROIVMRPQV-LBPRGKRZSA-N -1 3 312.360 2.585 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CO[C@@H](C)c2nccn2C)c1[O-] ZINC000353802650 428724029 /nfs/dbraw/zinc/72/40/29/428724029.db2.gz MYMOSEMNCKYCIJ-JTQLQIEISA-N -1 3 323.780 2.804 20 0 DFADHM COC(=O)c1sc([N-]C(=O)c2cc(C)no2)nc1C(C)C ZINC000411055396 428731910 /nfs/dbraw/zinc/73/19/10/428731910.db2.gz JOFVFENKJRRBCT-UHFFFAOYSA-N -1 3 309.347 2.602 20 0 DFADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(C(C)=O)c1 ZINC000353723989 428677603 /nfs/dbraw/zinc/67/76/03/428677603.db2.gz XRKPTXPZSURCAA-UHFFFAOYSA-N -1 3 317.370 2.667 20 0 DFADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(F)cc1C ZINC000353724035 428677894 /nfs/dbraw/zinc/67/78/94/428677894.db2.gz XYTCRGSZJBANRD-UHFFFAOYSA-N -1 3 307.350 2.912 20 0 DFADHM C[C@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC=CCC1 ZINC000416563938 428753250 /nfs/dbraw/zinc/75/32/50/428753250.db2.gz ZTPQDXMWBQXPOW-LBPRGKRZSA-N -1 3 320.336 2.878 20 0 DFADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)CS1 ZINC000416604366 428758821 /nfs/dbraw/zinc/75/88/21/428758821.db2.gz UOZRGWUUEIEONR-APPZFPTMSA-N -1 3 309.815 2.651 20 0 DFADHM CN1CC[C@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])C[C@@H]21 ZINC000362469482 428758844 /nfs/dbraw/zinc/75/88/44/428758844.db2.gz NJSDAOFZTSCZJE-YOEHRIQHSA-N -1 3 310.397 2.712 20 0 DFADHM Cc1ncc(CNC(=O)C[C@@H](c2ccccc2)C(C)C)c(=O)[n-]1 ZINC000345114329 428759276 /nfs/dbraw/zinc/75/92/76/428759276.db2.gz TVJJLKPRHGMOAA-MRXNPFEDSA-N -1 3 313.401 2.937 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N[C@H](C)c3ccccn3)c(=O)c2c1 ZINC000359051803 428792744 /nfs/dbraw/zinc/79/27/44/428792744.db2.gz NGCMNKDLYDEYFL-GFCCVEGCSA-N -1 3 307.353 2.723 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@@H](O)C(C)C ZINC000416632001 428762530 /nfs/dbraw/zinc/76/25/30/428762530.db2.gz VUURZYSXESQOJY-YPMHNXCESA-N -1 3 323.817 2.553 20 0 DFADHM CCCc1nc(C)c(NC(=O)c2ccc3n[n-]nc3c2)s1 ZINC000362482582 428763403 /nfs/dbraw/zinc/76/34/03/428763403.db2.gz RZCZFKLKKQKVIM-UHFFFAOYSA-N -1 3 301.375 2.928 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H](O)C(C)C ZINC000416635085 428763958 /nfs/dbraw/zinc/76/39/58/428763958.db2.gz ZQTFEXXDJVHXLL-MFKMUULPSA-N -1 3 323.817 2.553 20 0 DFADHM Cc1ncc(CNC(=O)c2ccc(-c3ccccc3)o2)c(=O)[n-]1 ZINC000345123495 428764354 /nfs/dbraw/zinc/76/43/54/428764354.db2.gz KCLMAIASORONGE-UHFFFAOYSA-N -1 3 309.325 2.681 20 0 DFADHM CCCc1nnc(NC(=O)c2ccc(C(C)=O)c([O-])c2)s1 ZINC000411267700 428766508 /nfs/dbraw/zinc/76/65/08/428766508.db2.gz RYLMKHQXJHTCRH-UHFFFAOYSA-N -1 3 305.359 2.651 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)Cc3c(F)cccc3F)[n-]2)o1 ZINC000359007182 428771318 /nfs/dbraw/zinc/77/13/18/428771318.db2.gz ZCKYAACFAWTNPD-UHFFFAOYSA-N -1 3 318.283 2.833 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3c(F)cccc3F)n2)o1 ZINC000359007182 428771320 /nfs/dbraw/zinc/77/13/20/428771320.db2.gz ZCKYAACFAWTNPD-UHFFFAOYSA-N -1 3 318.283 2.833 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)Cc3c(F)cccc3F)n[n-]2)o1 ZINC000359007182 428771327 /nfs/dbraw/zinc/77/13/27/428771327.db2.gz ZCKYAACFAWTNPD-UHFFFAOYSA-N -1 3 318.283 2.833 20 0 DFADHM Cc1cccc(Cl)c1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000416482040 428738559 /nfs/dbraw/zinc/73/85/59/428738559.db2.gz DJOVEXDENIQOSZ-UHFFFAOYSA-N -1 3 309.765 2.972 20 0 DFADHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000416524138 428745964 /nfs/dbraw/zinc/74/59/64/428745964.db2.gz GBMVINIEQQYUHB-TXEJJXNPSA-N -1 3 321.801 2.713 20 0 DFADHM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000416546504 428750508 /nfs/dbraw/zinc/75/05/08/428750508.db2.gz KIGWAXYDOLCADM-RYUDHWBXSA-N -1 3 322.352 2.813 20 0 DFADHM Cc1ccc(CCCCC(=O)NCc2cnc(C)[n-]c2=O)cc1 ZINC000345095287 428751169 /nfs/dbraw/zinc/75/11/69/428751169.db2.gz OPRNYWPZGIYHPD-UHFFFAOYSA-N -1 3 313.401 2.828 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000374778340 428751591 /nfs/dbraw/zinc/75/15/91/428751591.db2.gz NEUAZGLXUYLPEN-MRXNPFEDSA-N -1 3 316.788 2.832 20 0 DFADHM CCn1c(=O)[n-]nc1SCc1cncc(C(F)(F)F)c1 ZINC000359163147 428846150 /nfs/dbraw/zinc/84/61/50/428846150.db2.gz NUSOFXFSYLEVAS-UHFFFAOYSA-N -1 3 304.297 2.710 20 0 DFADHM Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nnc(C(F)(F)F)[n-]2)s1 ZINC000363075121 428853590 /nfs/dbraw/zinc/85/35/90/428853590.db2.gz IGJPFUYBKCLXRU-BQBZGAKWSA-N -1 3 316.308 2.936 20 0 DFADHM Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc(C(F)(F)F)n[n-]2)s1 ZINC000363075121 428853597 /nfs/dbraw/zinc/85/35/97/428853597.db2.gz IGJPFUYBKCLXRU-BQBZGAKWSA-N -1 3 316.308 2.936 20 0 DFADHM Cc1cccc(C)c1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000359054749 428794449 /nfs/dbraw/zinc/79/44/49/428794449.db2.gz ZNCQTWYKXJVLPU-UHFFFAOYSA-N -1 3 322.372 2.534 20 0 DFADHM Cc1cccc(C)c1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000359054749 428794454 /nfs/dbraw/zinc/79/44/54/428794454.db2.gz ZNCQTWYKXJVLPU-UHFFFAOYSA-N -1 3 322.372 2.534 20 0 DFADHM Cc1ccccc1[C@H]1CN(C(=O)c2csc(=O)[n-]2)[C@H](C)CO1 ZINC000375069095 428798866 /nfs/dbraw/zinc/79/88/66/428798866.db2.gz RNZPZKHQSTZIQN-BXUZGUMPSA-N -1 3 318.398 2.759 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1sccc1Cl ZINC000348629506 428800650 /nfs/dbraw/zinc/80/06/50/428800650.db2.gz 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O=C1C[C@@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)c2ccccc21 ZINC000354050400 428839657 /nfs/dbraw/zinc/83/96/57/428839657.db2.gz XPTHTQWMJMYIGH-CQSZACIVSA-N -1 3 323.320 2.571 20 0 DFADHM Cc1cc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)ccc1[O-] ZINC000348793047 428841341 /nfs/dbraw/zinc/84/13/41/428841341.db2.gz OVLKZBBKCZPNQP-ZDUSSCGKSA-N -1 3 313.357 2.591 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)[n-]c(=O)n1 ZINC000348799483 428842491 /nfs/dbraw/zinc/84/24/91/428842491.db2.gz FAONTHRFVCAYFG-LSDHHAIUSA-N -1 3 311.385 2.632 20 0 DFADHM CCOC(=O)c1cnc([N-]C(=O)Nc2ccc(C)cc2)n1C ZINC000417109547 428854691 /nfs/dbraw/zinc/85/46/91/428854691.db2.gz XLHQDCJFKFRGME-UHFFFAOYSA-N -1 3 302.334 2.549 20 0 DFADHM O=C(Nc1ccncc1[O-])[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000345358107 428858444 /nfs/dbraw/zinc/85/84/44/428858444.db2.gz HXMBUWDDFHNIFY-RYUDHWBXSA-N -1 3 322.286 2.970 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cncc(F)c1 ZINC000359188003 428858786 /nfs/dbraw/zinc/85/87/86/428858786.db2.gz 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/nfs/dbraw/zinc/87/07/59/428870759.db2.gz AKUAWPHTCSVHLS-LBPRGKRZSA-N -1 3 322.455 2.714 20 0 DFADHM Cc1ccnn1-c1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000375389938 428870836 /nfs/dbraw/zinc/87/08/36/428870836.db2.gz HPFGOANBQSVPBP-HNNXBMFYSA-N -1 3 316.361 2.760 20 0 DFADHM Cc1ccnn1-c1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000375389938 428870844 /nfs/dbraw/zinc/87/08/44/428870844.db2.gz HPFGOANBQSVPBP-HNNXBMFYSA-N -1 3 316.361 2.760 20 0 DFADHM Cc1nc([C@H]2CCCN(Cc3n[n-]c(=O)s3)C2)sc1C ZINC000375402185 428874883 /nfs/dbraw/zinc/87/48/83/428874883.db2.gz RAQKFEPNEMQWLR-JTQLQIEISA-N -1 3 310.448 2.697 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCc3cc(C)ccc32)s1 ZINC000359235539 428881600 /nfs/dbraw/zinc/88/16/00/428881600.db2.gz UFNTTYSRNGBTGN-ZDUSSCGKSA-N -1 3 322.455 2.980 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2nc(C)cs2)s1 ZINC000359241929 428882553 /nfs/dbraw/zinc/88/25/53/428882553.db2.gz MDTFJZJNSLUPEW-MRVPVSSYSA-N -1 3 317.461 2.510 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)C2CCCCC2)s1 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C[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(F)c(F)c1 ZINC000359268251 428898531 /nfs/dbraw/zinc/89/85/31/428898531.db2.gz XPTSKAYNOYSHCS-RXMQYKEDSA-N -1 3 320.221 2.844 20 0 DFADHM C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(F)c(F)c1 ZINC000359268251 428898535 /nfs/dbraw/zinc/89/85/35/428898535.db2.gz XPTSKAYNOYSHCS-RXMQYKEDSA-N -1 3 320.221 2.844 20 0 DFADHM O=C(Nc1cccc2c1CNC2=O)c1cn[n-]c1-c1ccsc1 ZINC000345502631 428912358 /nfs/dbraw/zinc/91/23/58/428912358.db2.gz UDOYXMNVKBWIEO-UHFFFAOYSA-N -1 3 324.365 2.634 20 0 DFADHM O=C(Nc1cccc2c1CNC2=O)c1c[n-]nc1-c1ccsc1 ZINC000345502631 428912362 /nfs/dbraw/zinc/91/23/62/428912362.db2.gz UDOYXMNVKBWIEO-UHFFFAOYSA-N -1 3 324.365 2.634 20 0 DFADHM COc1cccc([C@H](C)N2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)c1 ZINC000345506198 428913468 /nfs/dbraw/zinc/91/34/68/428913468.db2.gz LNBUFDFRCXKIMX-XDTLVQLUSA-N -1 3 317.307 2.951 20 0 DFADHM O=C(NCCCc1cccc(F)c1)c1c[n-]nc1-c1ccccn1 ZINC000354206196 428914939 /nfs/dbraw/zinc/91/49/39/428914939.db2.gz 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Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)CC(F)(F)F)n2)o1 ZINC000412199173 428980287 /nfs/dbraw/zinc/98/02/87/428980287.db2.gz VTWQNSJBNQHSDZ-ZCFIWIBFSA-N -1 3 302.256 2.900 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)CC(F)(F)F)n[n-]2)o1 ZINC000412199173 428980292 /nfs/dbraw/zinc/98/02/92/428980292.db2.gz VTWQNSJBNQHSDZ-ZCFIWIBFSA-N -1 3 302.256 2.900 20 0 DFADHM C[C@H]1NCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1C ZINC000423601314 428981122 /nfs/dbraw/zinc/98/11/22/428981122.db2.gz GMJHHHHHZKRHPA-CABCVRRESA-N -1 3 324.424 2.805 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000451819002 428985055 /nfs/dbraw/zinc/98/50/55/428985055.db2.gz RVPVNBRDRSPRFN-CHWSQXEVSA-N -1 3 317.476 2.786 20 0 DFADHM C[C@]1(F)CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC000412227675 428989455 /nfs/dbraw/zinc/98/94/55/428989455.db2.gz NJQFGUSAUHLXFJ-HNNXBMFYSA-N -1 3 308.740 2.756 20 0 DFADHM Cc1ccc2c(CN(CC(F)F)C[C@@H](C)O)ccc([O-])c2n1 ZINC000451834978 428991135 /nfs/dbraw/zinc/99/11/35/428991135.db2.gz NWTYDRZNVUKJQH-LLVKDONJSA-N -1 3 310.344 2.697 20 0 DFADHM CC(=O)c1ccc(C(=O)NCC[C@@H]2CCO[C@H](C)C2)cc1[O-] ZINC000412249099 428995102 /nfs/dbraw/zinc/99/51/02/428995102.db2.gz JMOCEGHSRSBHNL-DGCLKSJQSA-N -1 3 305.374 2.530 20 0 DFADHM C[C@H](N=c1nc2[nH][n-]cc-2c(N)n1)c1cc2ccccc2s1 ZINC000354575828 428997811 /nfs/dbraw/zinc/99/78/11/428997811.db2.gz VBQZKAXPVHADTP-QMMMGPOBSA-N -1 3 310.386 2.696 20 0 DFADHM CCO[C@@H]1C[C@@](N)(C(=O)Nc2cc(Cl)ccc2[O-])C1(C)C ZINC000423704583 429000364 /nfs/dbraw/zinc/00/03/64/429000364.db2.gz FIKIMMCNUPOADX-IUODEOHRSA-N -1 3 312.797 2.517 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C(C)(C)C2CCC2)c(F)c1 ZINC000451874786 429006186 /nfs/dbraw/zinc/00/61/86/429006186.db2.gz YQRJJVCLHHPKIV-UHFFFAOYSA-N -1 3 301.383 2.691 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CC(F)(c3ccccc3)C2)c1 ZINC000376286552 429090023 /nfs/dbraw/zinc/09/00/23/429090023.db2.gz ARFNMNZCWBUNSA-UHFFFAOYSA-N -1 3 301.317 2.722 20 0 DFADHM O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cc([O-])c2ccccc2c1 ZINC000376308735 429092615 /nfs/dbraw/zinc/09/26/15/429092615.db2.gz TVJFCZBNOXQQHQ-CQSZACIVSA-N -1 3 307.353 2.556 20 0 DFADHM CC[C@@H](COCC(F)(F)F)NC(=O)c1cc(C)ccc1[O-] ZINC000452331690 429095636 /nfs/dbraw/zinc/09/56/36/429095636.db2.gz XHOUCEKKSQUXNI-JTQLQIEISA-N -1 3 305.296 2.788 20 0 DFADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H]1COc2cccc(F)c21 ZINC000376120117 429062248 /nfs/dbraw/zinc/06/22/48/429062248.db2.gz XXIVRTVDKNYINC-NSHDSACASA-N -1 3 322.286 2.871 20 0 DFADHM Cc1onc([N-]C(=O)c2cc3sc(N(C)C)nc3s2)c1C ZINC000452165522 429075425 /nfs/dbraw/zinc/07/54/25/429075425.db2.gz REPUBDUAASJHIP-UHFFFAOYSA-N -1 3 322.415 3.281 20 0 DFADHM Cc1ccc(-c2nc(C(=O)[N-]c3noc(C)c3C)cs2)n1C ZINC000452165892 429075617 /nfs/dbraw/zinc/07/56/17/429075617.db2.gz ROTDRJGXKHVEKR-UHFFFAOYSA-N -1 3 316.386 3.314 20 0 DFADHM COc1cc(C(=O)N(C)Cc2cc(F)cc(F)c2)ccc1[O-] ZINC000434344932 429082134 /nfs/dbraw/zinc/08/21/34/429082134.db2.gz SANBTQSEYRQAED-UHFFFAOYSA-N -1 3 307.296 2.951 20 0 DFADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@H]1C[C@H]1C1CC1 ZINC000434393440 429084274 /nfs/dbraw/zinc/08/42/74/429084274.db2.gz FVCMGVAIRHREIK-IUCAKERBSA-N -1 3 304.300 2.735 20 0 DFADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@H]1C[C@H]1C1CC1 ZINC000434393440 429084280 /nfs/dbraw/zinc/08/42/80/429084280.db2.gz FVCMGVAIRHREIK-IUCAKERBSA-N -1 3 304.300 2.735 20 0 DFADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@H]1C[C@H]1C1CC1 ZINC000434393440 429084282 /nfs/dbraw/zinc/08/42/82/429084282.db2.gz FVCMGVAIRHREIK-IUCAKERBSA-N -1 3 304.300 2.735 20 0 DFADHM Cc1csc([C@@H]([N-]C(=O)[C@H]2CC2(F)F)C(F)(F)F)n1 ZINC000452235750 429086641 /nfs/dbraw/zinc/08/66/41/429086641.db2.gz NOKFYHPXMWHDLN-PHDIDXHHSA-N -1 3 300.252 2.826 20 0 DFADHM COCCCO[N-]C(=O)Nc1cc(-c2cnccn2)ccc1C ZINC000376607282 429148814 /nfs/dbraw/zinc/14/88/14/429148814.db2.gz WDABCBPHAFMDKL-UHFFFAOYSA-N -1 3 316.361 2.542 20 0 DFADHM CSCCON=C([O-])Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000376622380 429149904 /nfs/dbraw/zinc/14/99/04/429149904.db2.gz OOVACBVWLXTIQA-UHFFFAOYSA-N -1 3 324.402 2.847 20 0 DFADHM CSCCO[N-]C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000376622380 429149908 /nfs/dbraw/zinc/14/99/08/429149908.db2.gz OOVACBVWLXTIQA-UHFFFAOYSA-N -1 3 324.402 2.847 20 0 DFADHM CSc1ccc(CC[N-]S(=O)(=O)c2ccc(C)o2)cc1 ZINC000435595418 429151015 /nfs/dbraw/zinc/15/10/15/429151015.db2.gz DKPLPEJSDLSRDZ-UHFFFAOYSA-N -1 3 311.428 2.831 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c(=O)[n-]1 ZINC000412805212 429105735 /nfs/dbraw/zinc/10/57/35/429105735.db2.gz DDEBOMGVHDJQSK-UONOGXRCSA-N -1 3 305.422 2.673 20 0 DFADHM COC(=O)c1ccc(-c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)[n-]1 ZINC000424228598 429113048 /nfs/dbraw/zinc/11/30/48/429113048.db2.gz XFTBWJVTKPWUNU-BXKDBHETSA-N -1 3 319.361 2.770 20 0 DFADHM Cc1nnc2n1CCC[C@@H]2NC(=O)c1cc([O-])c2ccccc2c1 ZINC000376451725 429114634 /nfs/dbraw/zinc/11/46/34/429114634.db2.gz YBQDNMYXSLXQKL-HNNXBMFYSA-N -1 3 322.368 2.710 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000412960646 429115171 /nfs/dbraw/zinc/11/51/71/429115171.db2.gz PWORSDOIPRRVBM-TZMCWYRMSA-N -1 3 319.401 2.750 20 0 DFADHM CN(CC1CCCCC1)C(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424262146 429116289 /nfs/dbraw/zinc/11/62/89/429116289.db2.gz QDKGOOWEDDFSQK-MRXNPFEDSA-N -1 3 324.465 2.744 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)C(C)(F)F)c[n-]c12 ZINC000452460607 429117799 /nfs/dbraw/zinc/11/77/99/429117799.db2.gz RPROOXXAEFUAFX-MRVPVSSYSA-N -1 3 312.291 2.749 20 0 DFADHM COC(=O)[C@H](C)CSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000412990902 429119639 /nfs/dbraw/zinc/11/96/39/429119639.db2.gz HGSHNYZJQHPBNW-LLVKDONJSA-N -1 3 318.398 2.892 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H]3C3CC3)c[n-]c12 ZINC000452496896 429120894 /nfs/dbraw/zinc/12/08/94/429120894.db2.gz IAAGVDLSXSARDN-CQSZACIVSA-N -1 3 300.333 2.600 20 0 DFADHM CC(C)C[C@@]1(C)CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000452515729 429124067 /nfs/dbraw/zinc/12/40/67/429124067.db2.gz VGVNEUXTYXUSSV-QGZVFWFLSA-N -1 3 316.405 2.715 20 0 DFADHM CC[C@@H]1CCC[C@H]1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000452519937 429124440 /nfs/dbraw/zinc/12/44/40/429124440.db2.gz NBOFDFMQUSSWEX-OCCSQVGLSA-N -1 3 324.446 2.614 20 0 DFADHM CC[C@H]1CCC[C@@H]1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000452534715 429126112 /nfs/dbraw/zinc/12/61/12/429126112.db2.gz VNAQIZVJRBKXOP-QWHCGFSZSA-N -1 3 304.390 2.907 20 0 DFADHM C[C@@]12CN(C(=O)c3c[n-]c4ccccc4c3=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452590433 429130355 /nfs/dbraw/zinc/13/03/55/429130355.db2.gz AMWDXTURTFCCGG-LROULRCXSA-N -1 3 320.392 2.812 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2ccc3nc4n(c3c2)CCC4)n1 ZINC000363865490 429132289 /nfs/dbraw/zinc/13/22/89/429132289.db2.gz UMJLJACVLFYOBY-UHFFFAOYSA-N -1 3 308.341 2.644 20 0 DFADHM NC(=O)N1CCc2ccc(NCc3cc([O-])cc(F)c3)cc21 ZINC000487167749 429138943 /nfs/dbraw/zinc/13/89/43/429138943.db2.gz REBKRWWJFFLWRP-UHFFFAOYSA-N -1 3 301.321 2.585 20 0 DFADHM COc1cc2c(c(CN3CCC[C@H](C)[C@H]3C(=O)[O-])c1)O[C@@H](C)C2 ZINC000424422403 429139262 /nfs/dbraw/zinc/13/92/62/429139262.db2.gz SOZIEKQJGUEXRM-MKBNYLNASA-N -1 3 319.401 2.704 20 0 DFADHM CCOC(=O)Nc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000495169949 429182388 /nfs/dbraw/zinc/18/23/88/429182388.db2.gz BTEXSQNGQQULKA-UHFFFAOYSA-N -1 3 315.329 2.916 20 0 DFADHM CCCn1c(=O)[n-]nc1S[C@H](Cc1ccccc1F)C(C)=O ZINC000436141661 429182822 /nfs/dbraw/zinc/18/28/22/429182822.db2.gz XHQWIYDYXJZFRF-CYBMUJFWSA-N -1 3 323.393 2.825 20 0 DFADHM O=C(C[C@H]1OCCc2ccsc21)NCc1ccc([O-])c(F)c1 ZINC000364329749 429184224 /nfs/dbraw/zinc/18/42/24/429184224.db2.gz SAWNBZKISPEERN-CQSZACIVSA-N -1 3 321.373 2.913 20 0 DFADHM C[C@@H](CO[N-]C(=O)[C@@H]1CC12CCCC2)NC(=O)OC(C)(C)C ZINC000495237408 429190209 /nfs/dbraw/zinc/19/02/09/429190209.db2.gz KZVBVHPNXDKXOS-RYUDHWBXSA-N -1 3 312.410 2.528 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCc3cnc(C(C)C)nc3C2)n1 ZINC000364460547 429207741 /nfs/dbraw/zinc/20/77/41/429207741.db2.gz HORVWBRJCBLTBU-GFCCVEGCSA-N -1 3 313.405 2.523 20 0 DFADHM CCc1ccnc(CNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000437762852 429208272 /nfs/dbraw/zinc/20/82/72/429208272.db2.gz VQCHPYHXOXIYFR-UHFFFAOYSA-N -1 3 304.777 2.862 20 0 DFADHM CC[C@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489061810 429217081 /nfs/dbraw/zinc/21/70/81/429217081.db2.gz RQBIOZQLCCESBH-ZETCQYMHSA-N -1 3 315.288 2.801 20 0 DFADHM CCCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489082822 429218244 /nfs/dbraw/zinc/21/82/44/429218244.db2.gz XFIIAMKRDMKHTQ-UHFFFAOYSA-N -1 3 315.288 2.803 20 0 DFADHM COc1cccc(C(=O)Nc2cc(-c3ccccc3C)[nH]n2)c1[O-] ZINC000436627670 429201492 /nfs/dbraw/zinc/20/14/92/429201492.db2.gz XUJIPNZCAKMROZ-UHFFFAOYSA-N -1 3 323.352 3.352 20 0 DFADHM Cc1ccoc1C[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000490334017 429285298 /nfs/dbraw/zinc/28/52/98/429285298.db2.gz CSWIYRHWOFIPLI-UHFFFAOYSA-N -1 3 317.313 2.668 20 0 DFADHM COc1cc(C(=O)N(CC(=O)OC(C)(C)C)C(C)C)ccc1[O-] ZINC000442821440 429236959 /nfs/dbraw/zinc/23/69/59/429236959.db2.gz MRFQLFLBKSKTRB-UHFFFAOYSA-N -1 3 323.389 2.593 20 0 DFADHM CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])N(C)C ZINC000442811276 429237474 /nfs/dbraw/zinc/23/74/74/429237474.db2.gz OZFDGLQPOZLXHG-SNVBAGLBSA-N -1 3 306.284 2.570 20 0 DFADHM Cc1cccc(C(=O)N2CCOc3c(F)cccc3C2)c1[O-] ZINC000364629779 429237897 /nfs/dbraw/zinc/23/78/97/429237897.db2.gz LWMRJNCHVRZMTB-UHFFFAOYSA-N -1 3 301.317 2.875 20 0 DFADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)[N-]OCCC1CC1 ZINC000495643972 429238676 /nfs/dbraw/zinc/23/86/76/429238676.db2.gz GNLQNQZXJATECL-STQMWFEESA-N -1 3 312.410 2.528 20 0 DFADHM COc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[O-] ZINC000456106882 429243678 /nfs/dbraw/zinc/24/36/78/429243678.db2.gz NHZUPZNZNKHVOD-ZNMIVQPWSA-N -1 3 319.401 2.557 20 0 DFADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CCC1)c1ccc(F)c(F)c1 ZINC000425192760 429244877 /nfs/dbraw/zinc/24/48/77/429244877.db2.gz JBFSMBLMXBHICA-JQWIXIFHSA-N -1 3 301.358 2.679 20 0 DFADHM COc1cc(C(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)ccc1[O-] ZINC000456130187 429245708 /nfs/dbraw/zinc/24/57/08/429245708.db2.gz CNANUNKQYMNMRX-IUODEOHRSA-N -1 3 307.390 2.582 20 0 DFADHM Cc1ncc(CNC(=O)NCC[C@@H](C)CC(C)(C)C)c(=O)[n-]1 ZINC000443181859 429245997 /nfs/dbraw/zinc/24/59/97/429245997.db2.gz IFBLKGZZOZOZKJ-LLVKDONJSA-N -1 3 308.426 2.752 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1cc(F)ccc1OC(F)F ZINC000425236369 429249686 /nfs/dbraw/zinc/24/96/86/429249686.db2.gz JVUSWGNLAPKUPS-DIYOJNKTSA-N -1 3 321.320 2.504 20 0 DFADHM Cc1nc2c(s1)[C@@H](NC(=O)/C=C/c1cncc([O-])c1)CCC2 ZINC000364706092 429252967 /nfs/dbraw/zinc/25/29/67/429252967.db2.gz NJQUVLJTOCBNOQ-GJBLVYBDSA-N -1 3 315.398 2.759 20 0 DFADHM CC[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])[C@@H](C)O ZINC000456192351 429255422 /nfs/dbraw/zinc/25/54/22/429255422.db2.gz NOJFQVGYYFCGED-WBMJQRKESA-N -1 3 301.386 2.754 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OC[C@H]2CCC(C)(C)O2)cc1[O-] ZINC000495754808 429259606 /nfs/dbraw/zinc/25/96/06/429259606.db2.gz MEFQVJJJGPXCHQ-LLVKDONJSA-N -1 3 323.345 2.685 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2cnn([C@@H]3CCOC3)c2C)c1 ZINC000456254897 429265795 /nfs/dbraw/zinc/26/57/95/429265795.db2.gz IUSBVAXLGAGIQP-CYBMUJFWSA-N -1 3 315.373 2.673 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456277718 429268855 /nfs/dbraw/zinc/26/88/55/429268855.db2.gz HSNPQIPEXCCQIE-NVXWUHKLSA-N -1 3 308.381 2.789 20 0 DFADHM CCc1ccc(C(=O)N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c([O-])c1 ZINC000456291418 429269914 /nfs/dbraw/zinc/26/99/14/429269914.db2.gz AHTPJNBVBAEHLI-QLFBSQMISA-N -1 3 303.402 2.578 20 0 DFADHM CC(C)(C)OC(=O)N1CCC[C@H](CC[N-]C(=O)C(F)(F)F)C1 ZINC000495822946 429273341 /nfs/dbraw/zinc/27/33/41/429273341.db2.gz KYIHPQJSXLBRJZ-SNVBAGLBSA-N -1 3 324.343 2.702 20 0 DFADHM CCO[N-]C(=O)/C=C\c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000491021518 429320266 /nfs/dbraw/zinc/32/02/66/429320266.db2.gz AUOWNSNDRSAKJH-KTKRTIGZSA-N -1 3 303.337 2.709 20 0 DFADHM CSc1ccc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c([O-])c1 ZINC000365527949 429335154 /nfs/dbraw/zinc/33/51/54/429335154.db2.gz ZNFMCUUUOOYLFU-XHDPSFHLSA-N -1 3 307.415 2.802 20 0 DFADHM C[C@@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])N1CCCCCC1 ZINC000449139701 429341664 /nfs/dbraw/zinc/34/16/64/429341664.db2.gz BAMPHXCUIRQBLV-UONOGXRCSA-N -1 3 312.454 2.647 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1ccco1)c1cc(C(F)(F)F)on1 ZINC000490471854 429290813 /nfs/dbraw/zinc/29/08/13/429290813.db2.gz UBYNAOZCRVAIET-UHFFFAOYSA-N -1 3 324.280 2.500 20 0 DFADHM CCC(CC)(C[N-]S(=O)(=O)Cc1ccccc1Cl)OC ZINC000490563323 429292409 /nfs/dbraw/zinc/29/24/09/429292409.db2.gz ZKXLCWJBNVRCJJ-UHFFFAOYSA-N -1 3 319.854 2.965 20 0 DFADHM C[C@@H]1C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2nccn21 ZINC000456404233 429299630 /nfs/dbraw/zinc/29/96/30/429299630.db2.gz FZFPJCWUCRRKHR-BXUZGUMPSA-N -1 3 317.364 2.873 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1ccc(C2CC2)cn1 ZINC000446817980 429301066 /nfs/dbraw/zinc/30/10/66/429301066.db2.gz OFXGVKNMFZQHQK-UHFFFAOYSA-N -1 3 323.331 3.136 20 0 DFADHM Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccccc2[O-])n1 ZINC000365317377 429301046 /nfs/dbraw/zinc/30/10/46/429301046.db2.gz KSXODXOVLCCFAO-OAHLLOKOSA-N -1 3 313.401 2.900 20 0 DFADHM CNC(=O)C[C@@H](C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000456458015 429309960 /nfs/dbraw/zinc/30/99/60/429309960.db2.gz CMIHDXSGCFPIQF-GFCCVEGCSA-N -1 3 320.433 2.893 20 0 DFADHM CCc1cc(C(=O)Nc2ccccc2-c2nc[nH]n2)ccc1[O-] ZINC000365875662 429394972 /nfs/dbraw/zinc/39/49/72/429394972.db2.gz APVIESQOTKZYDW-UHFFFAOYSA-N -1 3 308.341 2.992 20 0 DFADHM C[C@@H]1CC[C@](CNCc2nc3ccccc3n2C)(CC(=O)[O-])C1 ZINC000426630725 429405029 /nfs/dbraw/zinc/40/50/29/429405029.db2.gz KQSCMVWRZIXBGT-FZKQIMNGSA-N -1 3 315.417 2.944 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC([C@H]2CCOC2)CC1 ZINC000365607722 429351071 /nfs/dbraw/zinc/35/10/71/429351071.db2.gz FNJXIPZFWSCNQE-LBPRGKRZSA-N -1 3 309.793 2.934 20 0 DFADHM Cc1ccoc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000365726453 429364349 /nfs/dbraw/zinc/36/43/49/429364349.db2.gz OPBJLDOKSRFRSF-UHFFFAOYSA-N -1 3 316.748 2.711 20 0 DFADHM CCc1cccc(CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])c1 ZINC000514604846 429366488 /nfs/dbraw/zinc/36/64/88/429366488.db2.gz IHOZBZXRRDBZAY-AWEZNQCLSA-N -1 3 307.390 2.524 20 0 DFADHM CCOc1ccccc1C=CC(=O)Nc1nnc(SC)[n-]1 ZINC000491503656 429367554 /nfs/dbraw/zinc/36/75/54/429367554.db2.gz DXMHAWRGWKSYSS-HJWRWDBZSA-N -1 3 304.375 2.577 20 0 DFADHM CCOc1ccccc1C=CC(=O)Nc1nc(SC)n[n-]1 ZINC000491503656 429367557 /nfs/dbraw/zinc/36/75/57/429367557.db2.gz DXMHAWRGWKSYSS-HJWRWDBZSA-N -1 3 304.375 2.577 20 0 DFADHM CCOc1ccccc1C=CC(=O)Nc1n[n-]c(SC)n1 ZINC000491503656 429367562 /nfs/dbraw/zinc/36/75/62/429367562.db2.gz DXMHAWRGWKSYSS-HJWRWDBZSA-N -1 3 304.375 2.577 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCN(c2ccccn2)C1 ZINC000365844419 429386062 /nfs/dbraw/zinc/38/60/62/429386062.db2.gz WLJCHVFBTGNCRQ-GFCCVEGCSA-N -1 3 315.348 2.781 20 0 DFADHM O=C(/C=C\c1nc2ccccc2s1)NCc1ncccc1[O-] ZINC000491993726 429447903 /nfs/dbraw/zinc/44/79/03/429447903.db2.gz ANNQSNMRKONTEQ-FPLPWBNLSA-N -1 3 311.366 2.727 20 0 DFADHM C[C@H]1CC[C@H](CNC(=O)c2cc([O-])ccc2C(F)(F)F)O1 ZINC000457385379 429455093 /nfs/dbraw/zinc/45/50/93/429455093.db2.gz WOCMLRGUSDBCHM-WCBMZHEXSA-N -1 3 303.280 2.708 20 0 DFADHM Cc1ccc([O-])c(CN2CCOC[C@H]2c2ccc(F)cc2)n1 ZINC000449588722 429455455 /nfs/dbraw/zinc/45/54/55/429455455.db2.gz JFXZNKQMLQYSFD-INIZCTEOSA-N -1 3 302.349 2.808 20 0 DFADHM C[C@](O)(CN1CCCC[C@@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000519412988 429458337 /nfs/dbraw/zinc/45/83/37/429458337.db2.gz WSFHDKVZVKXWKQ-WBVHZDCISA-N -1 3 302.374 2.531 20 0 DFADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cn1 ZINC000426744002 429412385 /nfs/dbraw/zinc/41/23/85/429412385.db2.gz VRHXIKDSMCESLG-INIZCTEOSA-N -1 3 300.358 2.623 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@@H](CCCO)C1 ZINC000457146697 429412961 /nfs/dbraw/zinc/41/29/61/429412961.db2.gz PJHURQKTQDRASP-SNVBAGLBSA-N -1 3 317.307 2.646 20 0 DFADHM Cc1cc(C)n(C[C@@H](NCc2ccc(Cl)c(C)c2)C(=O)[O-])n1 ZINC000426750372 429413638 /nfs/dbraw/zinc/41/36/38/429413638.db2.gz MWEJPWLTLNOOOE-OAHLLOKOSA-N -1 3 321.808 2.705 20 0 DFADHM CCCSC[C@H](NCc1c[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000426761399 429413865 /nfs/dbraw/zinc/41/38/65/429413865.db2.gz AIHOTPDZGVDEPA-AWEZNQCLSA-N -1 3 319.430 2.763 20 0 DFADHM CCCSC[C@H](NCc1cnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000426761399 429413870 /nfs/dbraw/zinc/41/38/70/429413870.db2.gz AIHOTPDZGVDEPA-AWEZNQCLSA-N -1 3 319.430 2.763 20 0 DFADHM [O-]c1cc(F)cc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000449429900 429416964 /nfs/dbraw/zinc/41/69/64/429416964.db2.gz VJHMIOPDUOBBGK-ROUUACIJSA-N -1 3 319.351 2.831 20 0 DFADHM CCc1ccc([C@H](NCc2cnn(C(C)C)c2)C(=O)[O-])cc1 ZINC000426815808 429419105 /nfs/dbraw/zinc/41/91/05/429419105.db2.gz HKFVDELLBRHLSC-INIZCTEOSA-N -1 3 301.390 2.942 20 0 DFADHM CCN(CC)c1ncc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)s1 ZINC000518376101 429419700 /nfs/dbraw/zinc/41/97/00/429419700.db2.gz YXTHBJDGLBGXGF-AAEUAGOBSA-N -1 3 311.451 2.532 20 0 DFADHM O=S(=O)(CCCc1ccccc1Cl)c1nc2c([n-]1)CCC2 ZINC000427057602 429429040 /nfs/dbraw/zinc/42/90/40/429429040.db2.gz SFTOQJAGIOKXOE-UHFFFAOYSA-N -1 3 324.833 2.958 20 0 DFADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2c(c1)CCC2 ZINC000427078031 429431197 /nfs/dbraw/zinc/43/11/97/429431197.db2.gz SBJSBMPDYAFIKK-UHFFFAOYSA-N -1 3 319.368 2.532 20 0 DFADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2c(c1)CCC2 ZINC000427078031 429431199 /nfs/dbraw/zinc/43/11/99/429431199.db2.gz SBJSBMPDYAFIKK-UHFFFAOYSA-N -1 3 319.368 2.532 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C=Cc1ccsc1 ZINC000491910404 429431945 /nfs/dbraw/zinc/43/19/45/429431945.db2.gz YULAVGJMCMENRG-PLNGDYQASA-N -1 3 305.359 2.608 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C=Cc1ccsc1 ZINC000491910404 429431950 /nfs/dbraw/zinc/43/19/50/429431950.db2.gz YULAVGJMCMENRG-PLNGDYQASA-N -1 3 305.359 2.608 20 0 DFADHM CCOc1nc2cc(C(=O)NCC3CCSCC3)ccc2[n-]1 ZINC000449860119 429526245 /nfs/dbraw/zinc/52/62/45/429526245.db2.gz IPVMAHCEVCLOFH-UHFFFAOYSA-N -1 3 319.430 2.835 20 0 DFADHM CCOc1nc2ccc(C(=O)NCC3CCSCC3)cc2[n-]1 ZINC000449860119 429526250 /nfs/dbraw/zinc/52/62/50/429526250.db2.gz IPVMAHCEVCLOFH-UHFFFAOYSA-N -1 3 319.430 2.835 20 0 DFADHM COc1ccc(CCCNC(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000492391994 429526972 /nfs/dbraw/zinc/52/69/72/429526972.db2.gz BVBYOYFAXMEDQD-TWGQIWQCSA-N -1 3 312.369 2.558 20 0 DFADHM CCOc1nc2cc(C(=O)NCCC3CCOCC3)ccc2[n-]1 ZINC000449865255 429528229 /nfs/dbraw/zinc/52/82/29/429528229.db2.gz UNOLVDWSAKWDKN-UHFFFAOYSA-N -1 3 317.389 2.508 20 0 DFADHM CCOc1nc2ccc(C(=O)NCCC3CCOCC3)cc2[n-]1 ZINC000449865255 429528234 /nfs/dbraw/zinc/52/82/34/429528234.db2.gz UNOLVDWSAKWDKN-UHFFFAOYSA-N -1 3 317.389 2.508 20 0 DFADHM CCCCOC1CCN(C(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000492403644 429528969 /nfs/dbraw/zinc/52/89/69/429528969.db2.gz ZNBJJEKUHBTMAY-SNAWJCMRSA-N -1 3 304.390 2.608 20 0 DFADHM CSCCO[N-]C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000366553304 429474297 /nfs/dbraw/zinc/47/42/97/429474297.db2.gz TWBYPRYAEJRGST-UHFFFAOYSA-N -1 3 324.377 2.824 20 0 DFADHM C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc2n[n-]nc2c1 ZINC000427974616 429480015 /nfs/dbraw/zinc/48/00/15/429480015.db2.gz QJLFHDCTTZFYGK-QMMMGPOBSA-N -1 3 300.284 2.809 20 0 DFADHM CC(=O)N1CC[C@H](NC(=O)c2cccc(C)c2[O-])c2ccccc21 ZINC000362739237 275773399 /nfs/dbraw/zinc/77/33/99/275773399.db2.gz YKEQTRASEAEEFV-INIZCTEOSA-N -1 3 324.380 2.928 20 0 DFADHM C[C@H]1C[C@@H]1c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000366687685 429493975 /nfs/dbraw/zinc/49/39/75/429493975.db2.gz MDTXKTCAFRYVCV-GWCFXTLKSA-N -1 3 323.356 2.513 20 0 DFADHM C[C@H]1C[C@@H]1c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000366687685 429493978 /nfs/dbraw/zinc/49/39/78/429493978.db2.gz MDTXKTCAFRYVCV-GWCFXTLKSA-N -1 3 323.356 2.513 20 0 DFADHM C[C@H]1C[C@H]1c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000366687687 429494190 /nfs/dbraw/zinc/49/41/90/429494190.db2.gz MDTXKTCAFRYVCV-GXFFZTMASA-N -1 3 323.356 2.513 20 0 DFADHM C[C@H]1C[C@H]1c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000366687687 429494194 /nfs/dbraw/zinc/49/41/94/429494194.db2.gz MDTXKTCAFRYVCV-GXFFZTMASA-N -1 3 323.356 2.513 20 0 DFADHM O=C(/C=C\C1CC1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000492286336 429503187 /nfs/dbraw/zinc/50/31/87/429503187.db2.gz GWRJCIPMPMMTNZ-FPLPWBNLSA-N -1 3 314.385 2.536 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@@](C)(OC)C3CC3)ccc2[n-]1 ZINC000428274829 429506076 /nfs/dbraw/zinc/50/60/76/429506076.db2.gz SMGNOMQZEWMZMN-QGZVFWFLSA-N -1 3 317.389 2.507 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@@](C)(OC)C3CC3)cc2[n-]1 ZINC000428274829 429506080 /nfs/dbraw/zinc/50/60/80/429506080.db2.gz SMGNOMQZEWMZMN-QGZVFWFLSA-N -1 3 317.389 2.507 20 0 DFADHM COC1(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCCC1 ZINC000520310442 429509318 /nfs/dbraw/zinc/50/93/18/429509318.db2.gz JYPKYABAIUISIL-UHFFFAOYSA-N -1 3 304.325 2.509 20 0 DFADHM Cc1ccccc1[C@@H](C(=O)[O-])N(C)Cc1ccc2c(c1)OCO2 ZINC000520416448 429515594 /nfs/dbraw/zinc/51/55/94/429515594.db2.gz CYOWJETVYDUMDE-KRWDZBQOSA-N -1 3 313.353 2.981 20 0 DFADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cnn(-c2ccccn2)c1 ZINC000520819925 429531093 /nfs/dbraw/zinc/53/10/93/429531093.db2.gz RBTZIWHBLLXUOY-ZDUSSCGKSA-N -1 3 308.407 2.588 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)C[C@@H]3CCCO3)ccc2[n-]1 ZINC000449838118 429521581 /nfs/dbraw/zinc/52/15/81/429521581.db2.gz DBTFRETVUWUHTG-AAEUAGOBSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)C[C@@H]3CCCO3)cc2[n-]1 ZINC000449838118 429521586 /nfs/dbraw/zinc/52/15/86/429521586.db2.gz DBTFRETVUWUHTG-AAEUAGOBSA-N -1 3 317.389 2.649 20 0 DFADHM Cc1ccc(O[C@@H](C)CNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000449968478 429547777 /nfs/dbraw/zinc/54/77/77/429547777.db2.gz NWVZFXLIHRODMC-ZDUSSCGKSA-N -1 3 317.360 2.966 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCc1cc(F)c(F)c(F)c1 ZINC000492493786 429549109 /nfs/dbraw/zinc/54/91/09/429549109.db2.gz WSLAFOAFUUNCQT-OWOJBTEDSA-N -1 3 322.286 2.577 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)c1 ZINC000457944625 429552609 /nfs/dbraw/zinc/55/26/09/429552609.db2.gz CBHZDJNYDHWAPM-HUUCEWRRSA-N -1 3 301.386 2.596 20 0 DFADHM CCN(CC)[C@@H](CNc1nc(C(=O)[O-])c(C)s1)c1ccco1 ZINC000521441467 429553471 /nfs/dbraw/zinc/55/34/71/429553471.db2.gz RLFOFXPMKBOKJS-NSHDSACASA-N -1 3 323.418 3.238 20 0 DFADHM CCc1oc2ccccc2c1/C=C\C(=O)[N-]O[C@@H]1CCOC1 ZINC000492509927 429554341 /nfs/dbraw/zinc/55/43/41/429554341.db2.gz UZSYSHOEMLEZJH-QDZRJHCZSA-N -1 3 301.342 2.845 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCc1ccc(F)c(F)c1F ZINC000492539970 429561541 /nfs/dbraw/zinc/56/15/41/429561541.db2.gz RAHDYOBZETWIDL-DAFODLJHSA-N -1 3 322.286 2.577 20 0 DFADHM CO[C@H]1CCC[C@H](C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)C1 ZINC000450140378 429571484 /nfs/dbraw/zinc/57/14/84/429571484.db2.gz OULPKVSVXFGQJR-QWRGUYRKSA-N -1 3 304.350 2.517 20 0 DFADHM CO[C@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)C1 ZINC000450140378 429571488 /nfs/dbraw/zinc/57/14/88/429571488.db2.gz OULPKVSVXFGQJR-QWRGUYRKSA-N -1 3 304.350 2.517 20 0 DFADHM CO[C@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)C1 ZINC000450140378 429571493 /nfs/dbraw/zinc/57/14/93/429571493.db2.gz OULPKVSVXFGQJR-QWRGUYRKSA-N -1 3 304.350 2.517 20 0 DFADHM CCC1(CC)CN(C(=O)/C=C/c2cncc([O-])c2)CCS1 ZINC000492590245 429571521 /nfs/dbraw/zinc/57/15/21/429571521.db2.gz FUVBFPHZDVKGJN-AATRIKPKSA-N -1 3 306.431 2.935 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000450163975 429574827 /nfs/dbraw/zinc/57/48/27/429574827.db2.gz UHIABDDSFQYTNC-SPYBWZPUSA-N -1 3 311.356 2.776 20 0 DFADHM CCc1cc(C(=O)N2CC(C)(C)[C@H]2c2cnn(C)c2)ccc1[O-] ZINC000522008461 429575271 /nfs/dbraw/zinc/57/52/71/429575271.db2.gz RBDXSLCWIOHGNU-MRXNPFEDSA-N -1 3 313.401 2.911 20 0 DFADHM COC(=O)c1ccc(F)c(CN2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000522005928 429575746 /nfs/dbraw/zinc/57/57/46/429575746.db2.gz IECKQCXELYHAQE-AWEZNQCLSA-N -1 3 323.364 2.832 20 0 DFADHM CN(CCCN=c1[n-]c(C2CCC2)no1)Cc1ccccc1 ZINC000450228437 429582464 /nfs/dbraw/zinc/58/24/64/429582464.db2.gz UHTDYNIIGAUSMU-UHFFFAOYSA-N -1 3 300.406 2.693 20 0 DFADHM C[C@@H]([N-]c1nnc(C(F)F)o1)c1cccc(-n2ccnc2)c1 ZINC000429209687 429587449 /nfs/dbraw/zinc/58/74/49/429587449.db2.gz QDKXMUZAACKDIB-SECBINFHSA-N -1 3 305.288 3.366 20 0 DFADHM CSc1ccc(F)cc1CNC(=O)/C=C/c1cncc([O-])c1 ZINC000492437116 429538016 /nfs/dbraw/zinc/53/80/16/429538016.db2.gz HXEXGOODKXQRSL-GORDUTHDSA-N -1 3 318.373 2.978 20 0 DFADHM Cc1nc2cc(NC(=O)/C=C\c3cncc([O-])c3)ccc2n1C ZINC000492444167 429538868 /nfs/dbraw/zinc/53/88/68/429538868.db2.gz QPUVXTJJIWDEHH-UTCJRWHESA-N -1 3 308.341 2.634 20 0 DFADHM CCN(Cc1ncccc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000521115041 429539039 /nfs/dbraw/zinc/53/90/39/429539039.db2.gz RRIXIPVUDKLPDQ-KRWDZBQOSA-N -1 3 311.429 2.884 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NCCc1cccc2cccnc21 ZINC000492447505 429539615 /nfs/dbraw/zinc/53/96/15/429539615.db2.gz VWZKUAGXIFRDPO-SREVYHEPSA-N -1 3 319.364 2.708 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H]3C[C@@H](OC(C)C)C3)ccc2[n-]1 ZINC000457868248 429542062 /nfs/dbraw/zinc/54/20/62/429542062.db2.gz JPPUIQKSBLOMBI-BETUJISGSA-N 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/nfs/dbraw/zinc/63/51/75/429635175.db2.gz GWYDVIFHYBDGJF-UHFFFAOYSA-N -1 3 311.341 2.848 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc2c(s1)CCC2 ZINC000525129642 429645192 /nfs/dbraw/zinc/64/51/92/429645192.db2.gz GHVBLAUECXBQLR-UHFFFAOYSA-N -1 3 319.386 2.697 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc2c(s1)CCC2 ZINC000525129642 429645195 /nfs/dbraw/zinc/64/51/95/429645195.db2.gz GHVBLAUECXBQLR-UHFFFAOYSA-N -1 3 319.386 2.697 20 0 DFADHM Cc1nc(-c2ccc(NCCC(C)(F)F)nc2)[n-]c(=O)c1C ZINC000450552674 429646200 /nfs/dbraw/zinc/64/62/00/429646200.db2.gz IIDDBJJRLSFATM-UHFFFAOYSA-N -1 3 308.332 3.318 20 0 DFADHM COCCCO[N-]C(=O)/C=C\c1ccc(Br)s1 ZINC000492925022 429646447 /nfs/dbraw/zinc/64/64/47/429646447.db2.gz RMEPYQSFPXLAJW-XQRVVYSFSA-N -1 3 320.208 2.608 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CSCCC(C)C ZINC000525149966 429647366 /nfs/dbraw/zinc/64/73/66/429647366.db2.gz QZBMAMQESZUHEI-UHFFFAOYSA-N -1 3 313.423 2.613 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CSCCC(C)C ZINC000525149966 429647372 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CC[C@H](C)[C@H](NC(=O)/C=C\c1cncc([O-])c1)C(F)(F)F ZINC000493013005 429667616 /nfs/dbraw/zinc/66/76/16/429667616.db2.gz FHUJKWUFBSJPOE-DDOBWABBSA-N -1 3 302.296 2.894 20 0 DFADHM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(O)cc1[O-] ZINC000367548403 429669128 /nfs/dbraw/zinc/66/91/28/429669128.db2.gz CCISYEBWPSQUHH-SUMWQHHRSA-N -1 3 313.353 2.605 20 0 DFADHM COCCO[N-]C(=O)/C=C/c1ccc(SC(F)F)cc1 ZINC000493041468 429676280 /nfs/dbraw/zinc/67/62/80/429676280.db2.gz YREKEESOBAHGFK-QPJJXVBHSA-N -1 3 303.330 2.709 20 0 DFADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000493052889 429678509 /nfs/dbraw/zinc/67/85/09/429678509.db2.gz CQKNSBRVVXBRDZ-IRSQKABVSA-N -1 3 314.307 2.990 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H](Cc2nnc[nH]2)c2ccccc2)c1 ZINC000430442570 429683307 /nfs/dbraw/zinc/68/33/07/429683307.db2.gz YJUVCIQCQKBWFR-HNNXBMFYSA-N -1 3 322.368 2.533 20 0 DFADHM O=C([N-]CCCN1CCCC[C@@H]1c1ccco1)C(F)(F)F ZINC000367678133 429698462 /nfs/dbraw/zinc/69/84/62/429698462.db2.gz 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ZINC000450917902 429728614 /nfs/dbraw/zinc/72/86/14/429728614.db2.gz YVBXONVWCVYPJT-ZDUSSCGKSA-N -1 3 313.336 2.848 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cn1 ZINC000430991500 429734214 /nfs/dbraw/zinc/73/42/14/429734214.db2.gz ZAYBRUUWHYOATE-UHFFFAOYSA-N -1 3 300.742 2.983 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N(C)C)c1 ZINC000450967178 429739846 /nfs/dbraw/zinc/73/98/46/429739846.db2.gz HMPFZAPEZTVPSA-AWEZNQCLSA-N -1 3 324.471 2.638 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1ccc2c(c1)SCC(=O)N2 ZINC000368155766 429799137 /nfs/dbraw/zinc/79/91/37/429799137.db2.gz QNCRPUTZUXMMHR-UHFFFAOYSA-N -1 3 314.366 2.997 20 0 DFADHM Cc1cn2ccnc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)c2n1 ZINC000432147956 429804696 /nfs/dbraw/zinc/80/46/96/429804696.db2.gz IXQSPKHXQCAKTD-LLVKDONJSA-N -1 3 322.368 2.897 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]Cc2nnc(C(C)C)s2)c1 ZINC000451293823 429805351 /nfs/dbraw/zinc/80/53/51/429805351.db2.gz FQTCPKXAAKGHEP-UHFFFAOYSA-N -1 3 317.461 2.510 20 0 DFADHM CC(C)N(C)c1ccccc1CNC(=O)c1cccc2nn[n-]c21 ZINC000527364818 429747333 /nfs/dbraw/zinc/74/73/33/429747333.db2.gz DGHQQXCJZRHFFF-UHFFFAOYSA-N -1 3 323.400 2.733 20 0 DFADHM CC(C)N(C)c1ccccc1CNC(=O)c1cccc2[n-]nnc21 ZINC000527364818 429747335 /nfs/dbraw/zinc/74/73/35/429747335.db2.gz DGHQQXCJZRHFFF-UHFFFAOYSA-N -1 3 323.400 2.733 20 0 DFADHM CC(C)N(C)c1ccccc1CNC(=O)c1cccc2n[n-]nc21 ZINC000527364818 429747338 /nfs/dbraw/zinc/74/73/38/429747338.db2.gz DGHQQXCJZRHFFF-UHFFFAOYSA-N -1 3 323.400 2.733 20 0 DFADHM O=C([N-]OC[C@H]1CCOC1)C12CCC(C(F)(F)F)(CC1)CC2 ZINC000367955674 429751284 /nfs/dbraw/zinc/75/12/84/429751284.db2.gz KLALLLUOTLBXRI-XGNXJENSSA-N -1 3 321.339 2.974 20 0 DFADHM CCc1cc(C(=O)N[C@H](CO)c2sccc2C)ccc1[O-] ZINC000486965441 429756902 /nfs/dbraw/zinc/75/69/02/429756902.db2.gz JTAHABGTIKXWAA-CYBMUJFWSA-N -1 3 305.399 2.788 20 0 DFADHM O=C(/C=C/c1ccc(-n2ccnc2)cc1)[N-]OC/C=C/Cl ZINC000493421898 429758653 /nfs/dbraw/zinc/75/86/53/429758653.db2.gz PRYHLUSPNXIACG-PDKGVYRNSA-N -1 3 303.749 2.686 20 0 DFADHM CCc1cc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)ccc1[O-] ZINC000486983481 429759385 /nfs/dbraw/zinc/75/93/85/429759385.db2.gz WACLBYXPFPJQNY-CYBMUJFWSA-N -1 3 311.381 2.885 20 0 DFADHM CC[C@@H](C)n1ncc(NC(=O)/C=C\c2cncc([O-])c2)c1C ZINC000493463929 429768870 /nfs/dbraw/zinc/76/88/70/429768870.db2.gz KTYMRMHAXSXJKF-ISALQUGTSA-N -1 3 300.362 2.915 20 0 DFADHM CCc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1OC ZINC000451104030 429769236 /nfs/dbraw/zinc/76/92/36/429769236.db2.gz DSEZXOMITDEUEX-AWEZNQCLSA-N -1 3 313.419 2.568 20 0 DFADHM O=C(/C=C/c1ccc(-c2ccccc2F)o1)[N-]OCCCO ZINC000493493216 429773781 /nfs/dbraw/zinc/77/37/81/429773781.db2.gz TUSLWMDUEZDMLC-VQHVLOKHSA-N -1 3 305.305 2.529 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2nc3ccccc3s2)c[n-]1 ZINC000431659860 429775805 /nfs/dbraw/zinc/77/58/05/429775805.db2.gz LFLUMFMIDYJQJU-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM COCCN(C(=O)Cc1ccc([O-])c(F)c1)[C@H]1CC[C@H](C)C1 ZINC000451154907 429777328 /nfs/dbraw/zinc/77/73/28/429777328.db2.gz OAXWRAAJBWFTPL-JSGCOSHPSA-N -1 3 309.381 2.737 20 0 DFADHM CC(C)(C)C(C)(C)CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000431696108 429778171 /nfs/dbraw/zinc/77/81/71/429778171.db2.gz COMADLAMBKHNHR-UHFFFAOYSA-N -1 3 317.389 2.764 20 0 DFADHM O=C(NCCc1cc2ccccc2[nH]1)c1cc(F)cc2nn[n-]c21 ZINC000431861404 429787051 /nfs/dbraw/zinc/78/70/51/429787051.db2.gz LHCLOJKZTQNCPG-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(NCCc1cc2ccccc2[nH]1)c1cc(F)cc2[n-]nnc21 ZINC000431861404 429787054 /nfs/dbraw/zinc/78/70/54/429787054.db2.gz LHCLOJKZTQNCPG-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(NCCc1cc2ccccc2[nH]1)c1cc(F)cc2n[n-]nc21 ZINC000431861404 429787057 /nfs/dbraw/zinc/78/70/57/429787057.db2.gz LHCLOJKZTQNCPG-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM C[C@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)[C@@H]1c1ccccc1 ZINC000431849025 429787816 /nfs/dbraw/zinc/78/78/16/429787816.db2.gz ZGTVDMWFGNZJBX-QFYYESIMSA-N -1 3 310.332 2.930 20 0 DFADHM C[C@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)[C@@H]1c1ccccc1 ZINC000431849025 429787818 /nfs/dbraw/zinc/78/78/18/429787818.db2.gz ZGTVDMWFGNZJBX-QFYYESIMSA-N -1 3 310.332 2.930 20 0 DFADHM C[C@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)[C@@H]1c1ccccc1 ZINC000431849025 429787823 /nfs/dbraw/zinc/78/78/23/429787823.db2.gz ZGTVDMWFGNZJBX-QFYYESIMSA-N -1 3 310.332 2.930 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@@]3(C)CCCS3)ccc2[n-]1 ZINC000431861841 429788187 /nfs/dbraw/zinc/78/81/87/429788187.db2.gz WBKXXTBRFFAIQB-MRXNPFEDSA-N -1 3 319.430 2.977 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@@]3(C)CCCS3)cc2[n-]1 ZINC000431861841 429788189 /nfs/dbraw/zinc/78/81/89/429788189.db2.gz WBKXXTBRFFAIQB-MRXNPFEDSA-N -1 3 319.430 2.977 20 0 DFADHM COCCOc1ccc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000431896227 429790176 /nfs/dbraw/zinc/79/01/76/429790176.db2.gz MQVWXOROAUDDBC-UHFFFAOYSA-N -1 3 322.748 2.718 20 0 DFADHM O=S(=O)([N-][C@H]1CCCC[C@H]1O)c1ccc2ccccc2c1F ZINC000451227489 429791861 /nfs/dbraw/zinc/79/18/61/429791861.db2.gz LFWPLCUISRFEHP-UONOGXRCSA-N -1 3 323.389 2.561 20 0 DFADHM CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1cc([O-])ccc1Cl ZINC000368239670 429815115 /nfs/dbraw/zinc/81/51/15/429815115.db2.gz ARLGAIQEVWTTBA-LLVKDONJSA-N -1 3 319.792 2.577 20 0 DFADHM CN(C[C@H]1CCn2ccnc2C1)C(=O)c1cc([O-])ccc1Cl ZINC000368239671 429815197 /nfs/dbraw/zinc/81/51/97/429815197.db2.gz ARLGAIQEVWTTBA-NSHDSACASA-N -1 3 319.792 2.577 20 0 DFADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)c1ccco1 ZINC000451386566 429821974 /nfs/dbraw/zinc/82/19/74/429821974.db2.gz XANWOWJYYATGNP-LLVKDONJSA-N -1 3 315.416 2.706 20 0 DFADHM COc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1Cl ZINC000432409908 429822050 /nfs/dbraw/zinc/82/20/50/429822050.db2.gz KCYWDLIWUSKXSS-UHFFFAOYSA-N -1 3 320.658 2.738 20 0 DFADHM COc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC000432409908 429822052 /nfs/dbraw/zinc/82/20/52/429822052.db2.gz KCYWDLIWUSKXSS-UHFFFAOYSA-N -1 3 320.658 2.738 20 0 DFADHM CCc1cc(C(=O)N[C@H]2CCCc3c2cnn3CC)ccc1[O-] ZINC000368278040 429822110 /nfs/dbraw/zinc/82/21/10/429822110.db2.gz WVZAYMMYVYGWNB-HNNXBMFYSA-N -1 3 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318.402 2.673 20 0 DFADHM CSc1nc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)n[n-]1 ZINC000541880163 430193117 /nfs/dbraw/zinc/19/31/17/430193117.db2.gz FCGLDEJSBVWPJI-LBPRGKRZSA-N -1 3 318.402 2.673 20 0 DFADHM C[C@H](c1ccc(F)cc1F)N1CCN([C@@H](C(=O)[O-])C2CC2)CC1 ZINC000635014891 430197703 /nfs/dbraw/zinc/19/77/03/430197703.db2.gz BBXAKJLOFHQQFC-BDJLRTHQSA-N -1 3 324.371 2.507 20 0 DFADHM CC[C@H](C)[C@H](NCc1coc(-c2cccc(OC)c2)n1)C(=O)[O-] ZINC000635015646 430198341 /nfs/dbraw/zinc/19/83/41/430198341.db2.gz GLLXSXGSSIUHBC-NHYWBVRUSA-N -1 3 318.373 2.939 20 0 DFADHM CC(C)(C)c1nnc([N-]C(=O)c2occ3c2CCOC3)s1 ZINC000375639488 277279431 /nfs/dbraw/zinc/27/94/31/277279431.db2.gz BWDAWIJRARBBQP-UHFFFAOYSA-N -1 3 307.375 2.754 20 0 DFADHM COCC1(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000581427001 430208868 /nfs/dbraw/zinc/20/88/68/430208868.db2.gz XIMOYJZCKSQYMG-UHFFFAOYSA-N -1 3 323.867 2.805 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@H](C)C(C)(C)C)c([O-])c1 ZINC000542607231 430218158 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C[C@@H]1CN(Cc2cc(C(=O)[O-])nn2C)CC[C@@H]1c1ccccc1 ZINC000635302312 430249526 /nfs/dbraw/zinc/24/95/26/430249526.db2.gz JCQZCLGMDYICJK-CJNGLKHVSA-N -1 3 313.401 2.744 20 0 DFADHM CCCCN(Cc1cc(C(=O)[O-])nn1C)[C@@H]1CCCC[C@H]1OC ZINC000635310698 430250649 /nfs/dbraw/zinc/25/06/49/430250649.db2.gz GRGHUJNPBKJVPX-HZPDHXFCSA-N -1 3 323.437 2.678 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN1CC[C@H](c2ccccc2)C1(C)C ZINC000635310538 430250825 /nfs/dbraw/zinc/25/08/25/430250825.db2.gz CYYBVRDKQGPBQS-OAHLLOKOSA-N -1 3 313.401 2.886 20 0 DFADHM Cc1ccc([C@@H]2C[C@@H](C)N(Cc3cc(C(=O)[O-])nn3C)C2)cc1 ZINC000635313177 430252534 /nfs/dbraw/zinc/25/25/34/430252534.db2.gz JJXYWZCRJNMLGA-UKRRQHHQSA-N -1 3 313.401 2.805 20 0 DFADHM CCOc1cc(C[NH2+]CCCCC(=O)[O-])cc(Cl)c1[O-] ZINC000635312445 430252906 /nfs/dbraw/zinc/25/29/06/430252906.db2.gz AECYYQNFLQJHSF-UHFFFAOYSA-N -1 3 301.770 2.789 20 0 DFADHM Cc1cnc(CCN(C)Cc2ccc(F)cc2C(=O)[O-])s1 ZINC000566362134 430255250 /nfs/dbraw/zinc/25/52/50/430255250.db2.gz 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430228093 /nfs/dbraw/zinc/22/80/93/430228093.db2.gz ANIVGCOTWHFGIF-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM O=C(NCc1cc(-c2ccccc2)no1)c1cccc2n[n-]nc21 ZINC000542820963 430228099 /nfs/dbraw/zinc/22/80/99/430228099.db2.gz ANIVGCOTWHFGIF-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)c1ccccc1 ZINC000543119550 430235867 /nfs/dbraw/zinc/23/58/67/430235867.db2.gz NFLYFZLGYCEUMM-JTQLQIEISA-N -1 3 301.346 2.637 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)c1ccccc1 ZINC000543119550 430235871 /nfs/dbraw/zinc/23/58/71/430235871.db2.gz NFLYFZLGYCEUMM-JTQLQIEISA-N -1 3 301.346 2.637 20 0 DFADHM CSc1cc2c(cc1[N-]C(=O)c1coc(CO)c1)OCCO2 ZINC000635468413 430286274 /nfs/dbraw/zinc/28/62/74/430286274.db2.gz AIMLXJPUAMVVCR-UHFFFAOYSA-N -1 3 321.354 2.517 20 0 DFADHM CC[C@@H]1C[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])CC(=O)N1 ZINC000544551632 430286552 /nfs/dbraw/zinc/28/65/52/430286552.db2.gz DIBXBQXISSWYQV-GXSJLCMTSA-N -1 3 310.781 2.597 20 0 DFADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@](C)(O)C2)c1C ZINC000567978679 430300270 /nfs/dbraw/zinc/30/02/70/430300270.db2.gz ODGIVXCZLRPMME-KRWDZBQOSA-N -1 3 300.358 2.511 20 0 DFADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)[C@@H]1C[C@]12CCOC2 ZINC000582521929 430307630 /nfs/dbraw/zinc/30/76/30/430307630.db2.gz FOQROSHHHKJSNV-GTNSWQLSSA-N -1 3 324.340 2.583 20 0 DFADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)[C@@H]1C[C@]12CCOC2 ZINC000582521929 430307634 /nfs/dbraw/zinc/30/76/34/430307634.db2.gz FOQROSHHHKJSNV-GTNSWQLSSA-N -1 3 324.340 2.583 20 0 DFADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1C[C@]12CCOC2 ZINC000582521929 430307638 /nfs/dbraw/zinc/30/76/38/430307638.db2.gz FOQROSHHHKJSNV-GTNSWQLSSA-N -1 3 324.340 2.583 20 0 DFADHM Cc1noc([C@H]2CCCN([C@H](C)c3cc(C(=O)[O-])c(C)o3)C2)n1 ZINC000568061647 430311497 /nfs/dbraw/zinc/31/14/97/430311497.db2.gz MRZWSCGDEFEZAZ-SKDRFNHKSA-N -1 3 319.361 2.918 20 0 DFADHM O=C([N-]c1cc(C2CCCC2)[nH]n1)c1ocnc1C(F)(F)F ZINC000635579473 430311732 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CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(F)c[n-]c1=O ZINC000635595194 430317816 /nfs/dbraw/zinc/31/78/16/430317816.db2.gz CJVVSAVBVOXPGE-AWEZNQCLSA-N -1 3 303.337 2.935 20 0 DFADHM [O-]c1ccc(Cl)c(Cn2cc([C@H]3CCCC[C@@H]3O)nn2)c1 ZINC000641070795 430319825 /nfs/dbraw/zinc/31/98/25/430319825.db2.gz NDGLCXBWUVEVJJ-DOMZBBRYSA-N -1 3 307.781 2.704 20 0 DFADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cncn1Cc1ccccc1 ZINC000582671949 430323533 /nfs/dbraw/zinc/32/35/33/430323533.db2.gz NFTGILJETUSLDR-CQSZACIVSA-N -1 3 301.390 2.617 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)c1cccc(C(C)(C)C)c1 ZINC000568173913 430324388 /nfs/dbraw/zinc/32/43/88/430324388.db2.gz IUCXWDOXQLYZCM-UHFFFAOYSA-N -1 3 301.346 2.746 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)c1cccc(C(C)(C)C)c1 ZINC000568173913 430324391 /nfs/dbraw/zinc/32/43/91/430324391.db2.gz IUCXWDOXQLYZCM-UHFFFAOYSA-N -1 3 301.346 2.746 20 0 DFADHM Cc1ccc([C@@H]2CCN(C(=O)c3cccc4[n-]nnc43)C2)cc1 ZINC000582704434 430325016 /nfs/dbraw/zinc/32/50/16/430325016.db2.gz 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DFADHM O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(O)cc1[O-] ZINC000583026596 430357935 /nfs/dbraw/zinc/35/79/35/430357935.db2.gz HWZJACWRQIKUGN-WDEREUQCSA-N -1 3 303.280 2.949 20 0 DFADHM O=S(=O)([N-][C@H]1CCCc2ccc(F)cc21)c1cscn1 ZINC000583081443 430361196 /nfs/dbraw/zinc/36/11/96/430361196.db2.gz RGGDVRQHXBPVOH-LBPRGKRZSA-N -1 3 312.391 2.638 20 0 DFADHM COC(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000546699453 430364681 /nfs/dbraw/zinc/36/46/81/430364681.db2.gz UPLPIDOQBHZURB-GHMZBOCLSA-N -1 3 311.765 2.964 20 0 DFADHM CC(C)C[C@@H](C(=O)[N-]c1nncn1-c1ccccc1)n1ccnc1 ZINC000635752521 430367538 /nfs/dbraw/zinc/36/75/38/430367538.db2.gz FMKASNHTNKXBSY-HNNXBMFYSA-N -1 3 324.388 2.690 20 0 DFADHM CCc1csc([C@H](C)[N-]S(=O)(=O)C[C@@]2(C)CC2(F)F)n1 ZINC000641537952 430417318 /nfs/dbraw/zinc/41/73/18/430417318.db2.gz IMRQGVHSKGUVSN-GZMMTYOYSA-N -1 3 324.418 2.731 20 0 DFADHM O=C(CC1CCN(CC(F)F)CC1)Nc1ccc([O-])cc1F ZINC000635779274 430373539 /nfs/dbraw/zinc/37/35/39/430373539.db2.gz 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DFADHM Cc1cc(OCC(=O)N[C@H]2CCCC[C@@H]2C)cc2occ([O-])c21 ZINC000642610114 430520958 /nfs/dbraw/zinc/52/09/58/430520958.db2.gz UVLLUPYPIKAAAN-FZMZJTMJSA-N -1 3 317.385 2.644 20 0 DFADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cc(F)cc(F)c1 ZINC000636350308 430521134 /nfs/dbraw/zinc/52/11/34/430521134.db2.gz VSRRYDQGARAYAV-JTQLQIEISA-N -1 3 311.313 2.920 20 0 DFADHM Cc1ccc(C)c(NC(=O)COc2ccc3c([O-])coc3c2)c1 ZINC000642608869 430521394 /nfs/dbraw/zinc/52/13/94/430521394.db2.gz RJQOTGCZVLFUKI-UHFFFAOYSA-N -1 3 311.337 2.896 20 0 DFADHM O=S(=O)([N-]CC1CC(c2ccccc2)C1)c1ccccn1 ZINC000570183403 430521457 /nfs/dbraw/zinc/52/14/57/430521457.db2.gz ZKDGRYCONHUYTF-UHFFFAOYSA-N -1 3 302.399 2.554 20 0 DFADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1occ2c1CCC2 ZINC000636359561 430523721 /nfs/dbraw/zinc/52/37/21/430523721.db2.gz ZOEFYOWHBKCORP-SNVBAGLBSA-N -1 3 305.359 2.724 20 0 DFADHM O=C([O-])c1cnoc1CN1CCC(Cc2cccc(F)c2)CC1 ZINC000570219342 430524265 /nfs/dbraw/zinc/52/42/65/430524265.db2.gz JTHIKVNMHYRQCK-UHFFFAOYSA-N 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CCO[C@@H]1C[C@@H](N(C)CCOc2cccc(C(=O)[O-])c2)C1(C)C ZINC000570639353 430562024 /nfs/dbraw/zinc/56/20/24/430562024.db2.gz YXSXIOXEALQIHF-HZPDHXFCSA-N -1 3 321.417 2.899 20 0 DFADHM CC[C@](C)(OC)C(=O)Nc1ccc(Br)cc1[O-] ZINC000570660198 430562445 /nfs/dbraw/zinc/56/24/45/430562445.db2.gz CHGURXSNOHIUDZ-LBPRGKRZSA-N -1 3 302.168 2.908 20 0 DFADHM COCC1(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000571078502 430601472 /nfs/dbraw/zinc/60/14/72/430601472.db2.gz REDWVBVIGBOXOK-UHFFFAOYSA-N -1 3 321.801 2.574 20 0 DFADHM CCNc1nc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cs1 ZINC000613577544 430576689 /nfs/dbraw/zinc/57/66/89/430576689.db2.gz ZOAKQGQWFJMFTF-SNVBAGLBSA-N -1 3 317.414 3.435 20 0 DFADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000615134401 430579492 /nfs/dbraw/zinc/57/94/92/430579492.db2.gz YNXFWTDFWAVWIW-SFYZADRCSA-N -1 3 313.279 3.186 20 0 DFADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1C[C@]12CCc1ccccc12 ZINC000615137935 430579725 /nfs/dbraw/zinc/57/97/25/430579725.db2.gz 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CCC/C=C/c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000664742634 430735586 /nfs/dbraw/zinc/73/55/86/430735586.db2.gz UAVCCEPVOMOFDX-AATRIKPKSA-N -1 3 307.375 2.921 20 0 DFADHM Cc1ccc([O-])c(CNCc2cccc3c2OC(F)(F)O3)n1 ZINC000657798961 430738897 /nfs/dbraw/zinc/73/88/97/430738897.db2.gz RWAAUSCDUPWKOK-UHFFFAOYSA-N -1 3 308.284 2.707 20 0 DFADHM CC[C@H](NC(=O)NCc1ncccc1[O-])c1ccccc1F ZINC000651258139 430753687 /nfs/dbraw/zinc/75/36/87/430753687.db2.gz BBGUALQGAGAHIJ-ZDUSSCGKSA-N -1 3 303.337 2.877 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CC(C)(C)[C@H]2c2cccnc2)on1 ZINC000664827438 430757858 /nfs/dbraw/zinc/75/78/58/430757858.db2.gz LEPBSAGAHRCGCV-SWLSCSKDSA-N -1 3 314.389 2.788 20 0 DFADHM CCOc1cc(-c2noc([C@H](OC)[C@H]3CCOC3)n2)ccc1[O-] ZINC000664844785 430761332 /nfs/dbraw/zinc/76/13/32/430761332.db2.gz IYULFZQZBCVSFH-SMDDNHRTSA-N -1 3 320.345 2.565 20 0 DFADHM CCn1cncc1[C@@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000644594832 430762052 /nfs/dbraw/zinc/76/20/52/430762052.db2.gz JTVQLPSQOPROHL-AWEZNQCLSA-N -1 3 315.373 2.682 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000654636064 430766530 /nfs/dbraw/zinc/76/65/30/430766530.db2.gz VPSQFCAXGNCSHU-KCXRBIIJSA-N -1 3 313.401 2.710 20 0 DFADHM C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H](CC(=O)[O-])CC2)[C@@H]1C ZINC000648421178 430780601 /nfs/dbraw/zinc/78/06/01/430780601.db2.gz PWSDVNVGTCNQCR-WCVJEAGWSA-N -1 3 324.465 2.504 20 0 DFADHM O=C(NC[C@@H]1CCc2ccccc2C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654805212 430815478 /nfs/dbraw/zinc/81/54/78/430815478.db2.gz JUCTXEWHZQOJHX-GFCCVEGCSA-N -1 3 323.396 2.595 20 0 DFADHM CCc1ccc(C(=O)N[C@H](C)c2noc(C(F)F)n2)c([O-])c1 ZINC000644776247 430820871 /nfs/dbraw/zinc/82/08/71/430820871.db2.gz LCHRJDYONWCZPY-SSDOTTSWSA-N -1 3 311.288 2.766 20 0 DFADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654830486 430823272 /nfs/dbraw/zinc/82/32/72/430823272.db2.gz KMCUNHONDWBUBJ-RDTXWAMCSA-N -1 3 309.369 2.520 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cnn3ccncc23)c2c([O-])cccc21 ZINC000193844923 278543930 /nfs/dbraw/zinc/54/39/30/278543930.db2.gz SCFVCXKGESCCOY-LLVKDONJSA-N -1 3 308.341 2.589 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)[C@@H]1CCCOC1 ZINC000651633887 430835666 /nfs/dbraw/zinc/83/56/66/430835666.db2.gz GCILNDHGSKAULU-VHSXEESVSA-N -1 3 321.801 2.573 20 0 DFADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000648431255 430785361 /nfs/dbraw/zinc/78/53/61/430785361.db2.gz OFJXSVOGILUBIC-YIZRAAEISA-N -1 3 321.730 2.895 20 0 DFADHM Cc1ncsc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433702 430785474 /nfs/dbraw/zinc/78/54/74/430785474.db2.gz LDCJQVVRKZYOMS-UHFFFAOYSA-N -1 3 324.715 2.538 20 0 DFADHM Cn1ncc2c1nc(CN1CC(C)(C)Cc3ccccc31)[n-]c2=O ZINC000644718480 430799523 /nfs/dbraw/zinc/79/95/23/430799523.db2.gz YBCJJEFYPIACPD-UHFFFAOYSA-N -1 3 323.400 2.658 20 0 DFADHM CCCC[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651497743 430810486 /nfs/dbraw/zinc/81/04/86/430810486.db2.gz WXJPSAKZKGBNEN-UHFFFAOYSA-N 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CAMUKKUWPLNTSA-UHFFFAOYSA-N -1 3 301.726 2.986 20 0 DFADHM Nc1cc(-c2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)ncn1 ZINC000647930244 431733258 /nfs/dbraw/zinc/73/32/58/431733258.db2.gz VUVCUCWKAVBSQN-UHFFFAOYSA-N -1 3 321.365 2.933 20 0 DFADHM COCc1ccnc([N-]C(=O)c2scnc2C(F)(F)F)c1 ZINC000650953324 431760712 /nfs/dbraw/zinc/76/07/12/431760712.db2.gz GDFXDAXWHXRRGE-UHFFFAOYSA-N -1 3 317.292 2.956 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000654453526 431797370 /nfs/dbraw/zinc/79/73/70/431797370.db2.gz BUWZINDBNYMQRY-JKSUJKDBSA-N -1 3 322.380 2.678 20 0 DFADHM C[C@@H]1C[C@@H](NCc2cc([O-])cc(C(F)(F)F)c2)c2ncnn21 ZINC000657568706 431812818 /nfs/dbraw/zinc/81/28/18/431812818.db2.gz JCCFGLITVFQMIQ-PRHODGIISA-N -1 3 312.295 2.798 20 0 DFADHM C[C@@H]1C[C@@H](NCc2cc([O-])ccc2Br)c2ncnn21 ZINC000657568246 431813780 /nfs/dbraw/zinc/81/37/80/431813780.db2.gz HLKDRZGILMXINY-PRHODGIISA-N -1 3 323.194 2.542 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@H]1CCC[C@H](O)C1 ZINC000648156445 431826890 /nfs/dbraw/zinc/82/68/90/431826890.db2.gz IDJRVRLIHXWKCQ-HOTGVXAUSA-N -1 3 313.397 2.898 20 0 DFADHM CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cccc(C)c1[O-] ZINC000375876608 288305476 /nfs/dbraw/zinc/30/54/76/288305476.db2.gz QUCBOVCAPNUNHW-LSDHHAIUSA-N -1 3 302.418 2.790 20 0 DFADHM CC1CCC([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000360415170 281759121 /nfs/dbraw/zinc/75/91/21/281759121.db2.gz UDLJBCMFVOLEMH-UHFFFAOYSA-N -1 3 307.337 2.961 20 0 DFADHM C[C@@H]1SCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]1C ZINC000265373487 288943451 /nfs/dbraw/zinc/94/34/51/288943451.db2.gz ATSMSYBGWZUEOS-QWRGUYRKSA-N -1 3 302.399 2.906 20 0 DFADHM COc1cc(NC(C)=O)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000153688288 289056333 /nfs/dbraw/zinc/05/63/33/289056333.db2.gz WZXAFLYYZRPRLR-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM COc1ccc([O-])c(NC(=O)C(=O)c2ccc3c(c2)CCC3)c1 ZINC000153844348 289063317 /nfs/dbraw/zinc/06/33/17/289063317.db2.gz QYRDJZKMTHLLSM-UHFFFAOYSA-N -1 3 311.337 2.711 20 0 DFADHM CCc1onc(C)c1[N-]C(=O)c1cc(F)cc2nccnc21 ZINC000153961507 289067910 /nfs/dbraw/zinc/06/79/10/289067910.db2.gz UQVPCFHGCQFBRT-UHFFFAOYSA-N -1 3 300.293 2.880 20 0 DFADHM CCOC(=O)c1cc(C(=O)[N-]c2ccc(OCC)cc2F)on1 ZINC000412896491 289113380 /nfs/dbraw/zinc/11/33/80/289113380.db2.gz HAPKTNMRTRTZID-UHFFFAOYSA-N -1 3 322.292 2.641 20 0 DFADHM O=C(Nc1cnc2c(c1)CCCC2)c1n[n-]nc1-c1ccccc1 ZINC000435802504 296974173 /nfs/dbraw/zinc/97/41/73/296974173.db2.gz YRGXNEFOYQCLGV-UHFFFAOYSA-N -1 3 319.368 2.998 20 0 DFADHM COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000436534922 297009852 /nfs/dbraw/zinc/00/98/52/297009852.db2.gz JDIHIWAQDQKTHE-INIZCTEOSA-N -1 3 313.353 2.687 20 0 DFADHM COC(=O)c1cc(OC)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000436482396 297005856 /nfs/dbraw/zinc/00/58/56/297005856.db2.gz DCKSFDWWYDRWIX-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM CC(C)(C)CCCN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436490022 297006296 /nfs/dbraw/zinc/00/62/96/297006296.db2.gz RMUDWXIEJFSDLS-UHFFFAOYSA-N -1 3 304.434 2.976 20 0 DFADHM COC(=O)c1ccc(C)c([N-]C(=O)c2cc(C3CC3)no2)c1O ZINC000436513300 297007809 /nfs/dbraw/zinc/00/78/09/297007809.db2.gz MLLSHGYDJZYWAA-UHFFFAOYSA-N -1 3 316.313 2.605 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])[nH]c(=O)n1 ZINC000436514759 297008364 /nfs/dbraw/zinc/00/83/64/297008364.db2.gz PDRVDYLNDMALGB-UHFFFAOYSA-N -1 3 301.346 2.746 20 0 DFADHM CNC(=O)c1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1C ZINC000436526171 297009286 /nfs/dbraw/zinc/00/92/86/297009286.db2.gz PSJJLSDAPZLVCM-UHFFFAOYSA-N -1 3 312.369 2.929 20 0 DFADHM Cc1nnnn1-c1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436526914 297009306 /nfs/dbraw/zinc/00/93/06/297009306.db2.gz JROFQUWNAOLGPM-UHFFFAOYSA-N -1 3 323.356 2.545 20 0 DFADHM COc1ccc(C(=O)N[C@H](C)c2ccccc2OC)c([O-])c1 ZINC000436525568 297009397 /nfs/dbraw/zinc/00/93/97/297009397.db2.gz OJNOXOLCLBSWAC-LLVKDONJSA-N -1 3 301.342 2.900 20 0 DFADHM O=C(NCc1c[nH]cn1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436533591 297010301 /nfs/dbraw/zinc/01/03/01/297010301.db2.gz GOEIRTXFIUTFOV-UHFFFAOYSA-N -1 3 323.352 2.624 20 0 DFADHM Cc1ccc(C(=O)NCCc2ccn(-c3ccccc3)n2)c([O-])c1 ZINC000436539428 297010740 /nfs/dbraw/zinc/01/07/40/297010740.db2.gz VZPAQVFUEUISHB-UHFFFAOYSA-N -1 3 321.380 2.859 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)c2cc(C)ccc2[O-])n[nH]1 ZINC000436545873 297011179 /nfs/dbraw/zinc/01/11/79/297011179.db2.gz NKSXYQQMQAGLOD-UHFFFAOYSA-N -1 3 324.340 2.747 20 0 DFADHM Cc1ccc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)c([O-])c1 ZINC000436553175 297012266 /nfs/dbraw/zinc/01/22/66/297012266.db2.gz DSPXOCVKUGXAKP-HNNXBMFYSA-N -1 3 324.424 2.877 20 0 DFADHM CO[C@@H](C)CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(C)C ZINC000436560121 297012560 /nfs/dbraw/zinc/01/25/60/297012560.db2.gz DJLLAWLOKJBOTG-LBPRGKRZSA-N -1 3 321.417 2.991 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1[O-] ZINC000436574219 297013629 /nfs/dbraw/zinc/01/36/29/297013629.db2.gz JNCHTWHHEGYFIL-YVEFUNNKSA-N -1 3 319.401 2.920 20 0 DFADHM CC[C@](C)(O)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436572512 297013632 /nfs/dbraw/zinc/01/36/32/297013632.db2.gz GVOMWWLWWHILJU-IBGZPJMESA-N -1 3 313.397 2.874 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)c2ccc(OC)cc2[O-])C12CCCC2 ZINC000436570736 297013669 /nfs/dbraw/zinc/01/36/69/297013669.db2.gz ARTHYCASSALDOC-CVEARBPZSA-N -1 3 319.401 2.868 20 0 DFADHM COC(=O)[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000436578835 297014067 /nfs/dbraw/zinc/01/40/67/297014067.db2.gz XXMCVLUEOXNRLC-AWEZNQCLSA-N -1 3 319.744 2.690 20 0 DFADHM CCOC(=O)C[C@@](C)(NC(=O)c1cccc(C)c1[O-])C(C)C ZINC000436585698 297015224 /nfs/dbraw/zinc/01/52/24/297015224.db2.gz UABPUFMZQUVPNK-QGZVFWFLSA-N -1 3 307.390 2.798 20 0 DFADHM CO[C@@H](C)c1nc(CNC(=O)c2cc(C)ccc2[O-])cs1 ZINC000436586838 297015464 /nfs/dbraw/zinc/01/54/64/297015464.db2.gz VCSLXYWKJWKNPF-JTQLQIEISA-N -1 3 306.387 2.795 20 0 DFADHM COc1ccc(C(=O)NC[C@H](C)Oc2ccc(F)cc2)c([O-])c1 ZINC000436586717 297015468 /nfs/dbraw/zinc/01/54/68/297015468.db2.gz CHTCTHFFARKPSO-NSHDSACASA-N -1 3 319.332 2.737 20 0 DFADHM Cc1cccc(NCCNC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000436587793 297015476 /nfs/dbraw/zinc/01/54/76/297015476.db2.gz FRYOWQUNCWIPRQ-UHFFFAOYSA-N -1 3 305.765 2.591 20 0 DFADHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436592492 297016311 /nfs/dbraw/zinc/01/63/11/297016311.db2.gz VWDNDGUAKWEZSI-WFASDCNBSA-N -1 3 303.402 2.911 20 0 DFADHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc2c(cc1[O-])CCCC2 ZINC000436595672 297016729 /nfs/dbraw/zinc/01/67/29/297016729.db2.gz JFCZRIYOSXFOIT-GDBMZVCRSA-N -1 3 303.402 2.552 20 0 DFADHM Cc1ccc(C(=O)NC[C@]2(C)OCCc3sccc32)c([O-])c1 ZINC000436599685 297017354 /nfs/dbraw/zinc/01/73/54/297017354.db2.gz YKAPWPIXMCJMFV-KRWDZBQOSA-N -1 3 317.410 2.980 20 0 DFADHM COCCN(C[C@@H]1CC=CCC1)C(=O)c1ccc([O-])c(OC)c1 ZINC000436607199 297017623 /nfs/dbraw/zinc/01/76/23/297017623.db2.gz RKFQKNXPQRHGFU-CQSZACIVSA-N -1 3 319.401 2.846 20 0 DFADHM CC(=O)c1ccc(C(=O)N(C)C2Cc3ccccc3C2)cc1[O-] ZINC000436611476 297017937 /nfs/dbraw/zinc/01/79/37/297017937.db2.gz WKLCGGCMRSOWIR-UHFFFAOYSA-N -1 3 309.365 2.834 20 0 DFADHM CCCC[C@@H](C)N(C)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436616382 297018193 /nfs/dbraw/zinc/01/81/93/297018193.db2.gz JKVWSLALVFBNCD-CQSZACIVSA-N -1 3 320.433 2.858 20 0 DFADHM O=C(N[C@H](CO)C1CCCC1)c1ccc2c(c1[O-])CCCC2 ZINC000436614857 297018217 /nfs/dbraw/zinc/01/82/17/297018217.db2.gz BNSYPTNECQFDIU-MRXNPFEDSA-N -1 3 303.402 2.552 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCCNc2ccccc2)cc1[O-] ZINC000436624132 297019100 /nfs/dbraw/zinc/01/91/00/297019100.db2.gz ABYFUUZVLSTHFN-UHFFFAOYSA-N -1 3 312.369 2.827 20 0 DFADHM CCOc1ccccc1CNC(=O)c1ccc([O-])c(OC)c1 ZINC000436635712 297019611 /nfs/dbraw/zinc/01/96/11/297019611.db2.gz VPROXKQZOMPGIB-UHFFFAOYSA-N -1 3 301.342 2.730 20 0 DFADHM Cc1ccc(C(=O)NCc2c3c(nn2C)CCCC3)c([O-])c1C ZINC000436641007 297020252 /nfs/dbraw/zinc/02/02/52/297020252.db2.gz KSUCDBCAGKRCRD-UHFFFAOYSA-N -1 3 313.401 2.551 20 0 DFADHM CC(C)[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ncon1 ZINC000436651600 297021310 /nfs/dbraw/zinc/02/13/10/297021310.db2.gz WUJRBZPFXJFJHS-AWEZNQCLSA-N -1 3 315.373 2.781 20 0 DFADHM Cc1cccc2oc(CCNC(=O)c3c([O-])cccc3O)nc21 ZINC000436646155 297021121 /nfs/dbraw/zinc/02/11/21/297021121.db2.gz GKJWKZPRZZKNMC-UHFFFAOYSA-N -1 3 312.325 2.520 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](C)CCc2cccn2C)cc1[O-] ZINC000436655832 297022101 /nfs/dbraw/zinc/02/21/01/297022101.db2.gz OGGPBZUWEHDKPP-GFCCVEGCSA-N -1 3 314.385 2.684 20 0 DFADHM C[C@H]1COCC[C@H]1CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436656607 297022128 /nfs/dbraw/zinc/02/21/28/297022128.db2.gz RBNUOMANPZBAEX-WFASDCNBSA-N -1 3 303.402 2.673 20 0 DFADHM C[C@@H]1COCC[C@H]1CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436661443 297022671 /nfs/dbraw/zinc/02/26/71/297022671.db2.gz VZJPVMQWDVKGRJ-OCCSQVGLSA-N -1 3 303.402 2.673 20 0 DFADHM COCc1ccccc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436664949 297022976 /nfs/dbraw/zinc/02/29/76/297022976.db2.gz PVYHTPLBRYRJPW-UHFFFAOYSA-N -1 3 317.341 2.808 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@H](C)c2nccs2)cc1[O-] ZINC000436670749 297023459 /nfs/dbraw/zinc/02/34/59/297023459.db2.gz GYNQRXDKXOPBJN-VIFPVBQESA-N -1 3 304.371 2.585 20 0 DFADHM CC[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@H]1CCCO1 ZINC000436672167 297023548 /nfs/dbraw/zinc/02/35/48/297023548.db2.gz DFJYBXRPWABCHI-ZIAGYGMSSA-N -1 3 319.401 2.793 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])C12CCCCC2 ZINC000436670687 297023632 /nfs/dbraw/zinc/02/36/32/297023632.db2.gz RZINYNGABLUQJI-JKSUJKDBSA-N -1 3 319.401 2.956 20 0 DFADHM COc1cccc(C(F)(F)CNC(=O)c2ccc(C)cc2[O-])n1 ZINC000436682630 297024649 /nfs/dbraw/zinc/02/46/49/297024649.db2.gz QVXNETGJMZFYME-UHFFFAOYSA-N -1 3 322.311 2.626 20 0 DFADHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000266253368 293620988 /nfs/dbraw/zinc/62/09/88/293620988.db2.gz YDALPAPDQQYDFK-NWDGAFQWSA-N -1 3 321.801 2.715 20 0 DFADHM CCc1nc(CCNC(=O)c2ccc(OC)cc2[O-])sc1C ZINC000436687371 297025346 /nfs/dbraw/zinc/02/53/46/297025346.db2.gz HSEQMKQRTLFSGY-UHFFFAOYSA-N -1 3 320.414 2.701 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@H]1O ZINC000436695563 297025532 /nfs/dbraw/zinc/02/55/32/297025532.db2.gz FUXMKZVGQNHTIG-PXAZEXFGSA-N -1 3 313.353 2.637 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)c1[O-] ZINC000436696015 297025785 /nfs/dbraw/zinc/02/57/85/297025785.db2.gz HHXFOIYGNBPKGR-KGLIPLIRSA-N -1 3 307.390 2.723 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](CO)c2c(F)cccc2F)c([O-])c1C ZINC000436701199 297025990 /nfs/dbraw/zinc/02/59/90/297025990.db2.gz ZNZNYHAAUHDTJR-AWEZNQCLSA-N -1 3 321.323 2.751 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(OCCCO)cc2)c1[O-] ZINC000436697766 297026479 /nfs/dbraw/zinc/02/64/79/297026479.db2.gz NINIHAYPZJTYNY-UHFFFAOYSA-N -1 3 301.342 2.714 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000436744473 297031018 /nfs/dbraw/zinc/03/10/18/297031018.db2.gz MPHBZNZBHYZANA-KRWDZBQOSA-N -1 3 319.307 2.948 20 0 DFADHM COC(=O)c1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1N ZINC000436709874 297027475 /nfs/dbraw/zinc/02/74/75/297027475.db2.gz XBLRVKYENNVRAH-UHFFFAOYSA-N -1 3 314.341 2.630 20 0 DFADHM Cc1cccc(C(=O)N2CC(N(C)Cc3ccccc3)C2)c1[O-] ZINC000436719207 297027766 /nfs/dbraw/zinc/02/77/66/297027766.db2.gz OWKJUZRFDGCOMK-UHFFFAOYSA-N -1 3 310.397 2.657 20 0 DFADHM CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000436755327 297032059 /nfs/dbraw/zinc/03/20/59/297032059.db2.gz KTXSDMYUCPVJTK-VIFPVBQESA-N -1 3 317.216 2.913 20 0 DFADHM C[C@H]1CCC[C@H](CN2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436718287 297027891 /nfs/dbraw/zinc/02/78/91/297027891.db2.gz KGARGGPYXTZEFT-HOTGVXAUSA-N -1 3 316.445 2.976 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)c2cc(OC)ccc2[O-])C12CCCC2 ZINC000436719653 297027920 /nfs/dbraw/zinc/02/79/20/297027920.db2.gz PHJMMMSWSGVDOH-HZPDHXFCSA-N -1 3 319.401 2.868 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)c2cc(OC)ccc2[O-])C12CCCC2 ZINC000436719648 297027927 /nfs/dbraw/zinc/02/79/27/297027927.db2.gz PHJMMMSWSGVDOH-CVEARBPZSA-N -1 3 319.401 2.868 20 0 DFADHM CC[C@@H](C)N[C@H](CNC(=O)c1ccccc1[O-])c1ccco1 ZINC000436718485 297028070 /nfs/dbraw/zinc/02/80/70/297028070.db2.gz ZSFRIXWOGAPYHY-TZMCWYRMSA-N -1 3 302.374 2.844 20 0 DFADHM CC1(C)SC[C@@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436720321 297028312 /nfs/dbraw/zinc/02/83/12/297028312.db2.gz IVSRKVJSUCKIMX-NSHDSACASA-N -1 3 307.415 2.730 20 0 DFADHM CCc1ccc([C@H](COC)NC(=O)c2cc(C)ccc2[O-])o1 ZINC000436721318 297028425 /nfs/dbraw/zinc/02/84/25/297028425.db2.gz XIGSECSKKTZKOE-AWEZNQCLSA-N -1 3 303.358 2.974 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c1[O-] ZINC000436734013 297029321 /nfs/dbraw/zinc/02/93/21/297029321.db2.gz JIVFREJZUGORCW-INIZCTEOSA-N -1 3 316.376 2.872 20 0 DFADHM COCCN(C(=O)c1cccc(OC)c1[O-])[C@H]1CCC[C@H]1C ZINC000436730943 297029537 /nfs/dbraw/zinc/02/95/37/297029537.db2.gz IZUUPVFECZBBRB-OCCSQVGLSA-N -1 3 307.390 2.678 20 0 DFADHM COc1ccc2c(c1)[C@@H](NC(=O)c1cc(C)ccc1[O-])CCO2 ZINC000436737407 297030171 /nfs/dbraw/zinc/03/01/71/297030171.db2.gz IZCLYFQLOLVCPV-HNNXBMFYSA-N -1 3 313.353 2.963 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2c3ccc(F)cc3O[C@H]2C)c1[O-] ZINC000436743540 297030402 /nfs/dbraw/zinc/03/04/02/297030402.db2.gz HJQJLXPJCYHKPN-VFZGTOFNSA-N -1 3 317.316 2.792 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3CCC[C@@]34CCOC4)c([O-])c2O1 ZINC000436740107 297030416 /nfs/dbraw/zinc/03/04/16/297030416.db2.gz XWGWJVSDTVVHJJ-SFHVURJKSA-N -1 3 317.385 2.501 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3CCC[C@]34CCOC4)c([O-])c2O1 ZINC000436740104 297030481 /nfs/dbraw/zinc/03/04/81/297030481.db2.gz XWGWJVSDTVVHJJ-GOSISDBHSA-N -1 3 317.385 2.501 20 0 DFADHM C[C@H](Cc1nc(-c2ccc([O-])cc2)no1)NC(=O)c1ccccc1 ZINC000436766561 297032881 /nfs/dbraw/zinc/03/28/81/297032881.db2.gz DAPUHGNARVAPMT-GFCCVEGCSA-N -1 3 323.352 2.803 20 0 DFADHM CNC(=O)c1ccc(/C=C\c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436768958 297032922 /nfs/dbraw/zinc/03/29/22/297032922.db2.gz LXVYVYNWODJHME-WCIBSUBMSA-N -1 3 321.336 2.972 20 0 DFADHM Cc1ccc(C(=O)NCCc2nnc(C(C)C)s2)c([O-])c1 ZINC000436771151 297033406 /nfs/dbraw/zinc/03/34/06/297033406.db2.gz SOFYOXJOTMPHRJ-UHFFFAOYSA-N -1 3 305.403 2.648 20 0 DFADHM CC1(C)Cc2ccc(C(=O)Nc3cncc(F)c3)c([O-])c2O1 ZINC000436776374 297033425 /nfs/dbraw/zinc/03/34/25/297033425.db2.gz USGCFIIYQFZSCC-UHFFFAOYSA-N -1 3 302.305 2.892 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(O)c2)c1 ZINC000436785757 297033902 /nfs/dbraw/zinc/03/39/02/297033902.db2.gz ANJXUNDMBYGKGW-SNVBAGLBSA-N -1 3 314.341 2.547 20 0 DFADHM CCCCn1cc(CNC(=O)c2ccc(C)cc2[O-])c(C)n1 ZINC000436795140 297035045 /nfs/dbraw/zinc/03/50/45/297035045.db2.gz XYKUDMLVSXNQID-UHFFFAOYSA-N -1 3 301.390 2.936 20 0 DFADHM O=C(c1ccccc1[O-])N1Cc2cnn(-c3ccccc3)c2C1 ZINC000436800554 297035534 /nfs/dbraw/zinc/03/55/34/297035534.db2.gz LOIYJZWVCBATSX-UHFFFAOYSA-N -1 3 305.337 2.734 20 0 DFADHM CCc1ccc(C(=O)NCc2cn3ccsc3n2)c([O-])c1 ZINC000436806470 297035667 /nfs/dbraw/zinc/03/56/67/297035667.db2.gz GCRKICQNCPMJIW-UHFFFAOYSA-N -1 3 301.371 2.594 20 0 DFADHM CCc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)c([O-])c1 ZINC000436806584 297035905 /nfs/dbraw/zinc/03/59/05/297035905.db2.gz GQQOJVIHIQVGHV-UHFFFAOYSA-N -1 3 323.352 2.935 20 0 DFADHM CCc1ccc(C(=O)N(CCOC)[C@H]2CCCSC2)c([O-])c1 ZINC000436809319 297036360 /nfs/dbraw/zinc/03/63/60/297036360.db2.gz NWBHRFPFZKBBNM-AWEZNQCLSA-N -1 3 323.458 2.939 20 0 DFADHM COC(=O)c1cccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])n1 ZINC000436816091 297036613 /nfs/dbraw/zinc/03/66/13/297036613.db2.gz ZNSPSRPWVDOSJI-UHFFFAOYSA-N -1 3 320.732 2.788 20 0 DFADHM CCc1ccc(C(=O)NCc2cn3cccc(C)c3n2)c([O-])c1 ZINC000436827545 297037663 /nfs/dbraw/zinc/03/76/63/297037663.db2.gz SYNDKUNADNIIGD-UHFFFAOYSA-N -1 3 309.369 2.841 20 0 DFADHM CCc1ccc(C(=O)NCCc2c[nH]c3ncccc23)c([O-])c1 ZINC000436831317 297038014 /nfs/dbraw/zinc/03/80/14/297038014.db2.gz FNMQYFXKIZWJES-UHFFFAOYSA-N -1 3 309.369 2.803 20 0 DFADHM COC(=O)c1ccc(C)c(NC(=O)c2cc(C)ccc2[O-])c1O ZINC000436829759 297038054 /nfs/dbraw/zinc/03/80/54/297038054.db2.gz PLUVOYDYTSJWFD-UHFFFAOYSA-N -1 3 315.325 2.754 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc(-n3ccnn3)c2)c([O-])c1 ZINC000436828939 297038120 /nfs/dbraw/zinc/03/81/20/297038120.db2.gz KIRLPBRPDABSJK-UHFFFAOYSA-N -1 3 308.341 2.788 20 0 DFADHM CCOC(=O)[C@@H](CC)N(C(=O)c1ccc(C)c(C)c1[O-])C1CC1 ZINC000436833920 297038386 /nfs/dbraw/zinc/03/83/86/297038386.db2.gz KLQLLCTWSZXUKV-OAHLLOKOSA-N -1 3 319.401 2.955 20 0 DFADHM CCC(=O)c1ccc([O-])c(NC(=O)CC2CCN(C)CC2)c1 ZINC000436834516 297038473 /nfs/dbraw/zinc/03/84/73/297038473.db2.gz PPRWUBLUJZYOHU-UHFFFAOYSA-N -1 3 304.390 2.655 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2ccc(CC)cc2[O-])cn1C ZINC000436831914 297038661 /nfs/dbraw/zinc/03/86/61/297038661.db2.gz HQKKDCWVIWZNDF-UHFFFAOYSA-N -1 3 316.357 2.722 20 0 DFADHM COc1ccccc1CCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436844025 297039825 /nfs/dbraw/zinc/03/98/25/297039825.db2.gz LCWWVVWJORNUML-UHFFFAOYSA-N -1 3 313.353 2.576 20 0 DFADHM COc1cccc2c1nc(NC(=O)c1cc(C)ccc1[O-])n2C ZINC000436870878 297041321 /nfs/dbraw/zinc/04/13/21/297041321.db2.gz RABFCZIJCYMCER-UHFFFAOYSA-N -1 3 311.341 2.848 20 0 DFADHM O=C1CCc2cc(-c3nc(-c4ccc([O-])cc4)no3)ccc2N1 ZINC000436889162 297042221 /nfs/dbraw/zinc/04/22/21/297042221.db2.gz PVSIOEURDBWDFE-UHFFFAOYSA-N -1 3 307.309 2.994 20 0 DFADHM Cc1ccc([O-])c(-c2nc(CC(=O)NC3CCCCC3)no2)c1 ZINC000436890373 297042699 /nfs/dbraw/zinc/04/26/99/297042699.db2.gz ZOQCGLGQVBCWJU-UHFFFAOYSA-N -1 3 315.373 2.742 20 0 DFADHM C[C@@H]1C[C@@H](O)CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436896902 297043072 /nfs/dbraw/zinc/04/30/72/297043072.db2.gz UUVANNPAHBXMSK-CHWSQXEVSA-N -1 3 313.353 2.780 20 0 DFADHM CCOC(=O)c1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436907194 297043820 /nfs/dbraw/zinc/04/38/20/297043820.db2.gz FAOYJHRSSWYUJX-UHFFFAOYSA-N -1 3 315.325 2.830 20 0 DFADHM CCc1nc([C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])n[nH]1 ZINC000436910624 297044055 /nfs/dbraw/zinc/04/40/55/297044055.db2.gz QKBJBDXYTCKWDE-SNVBAGLBSA-N -1 3 310.357 2.717 20 0 DFADHM Cc1ccc(-c2nc(-c3cccnc3-n3cccn3)no2)c([O-])c1 ZINC000436912355 297044430 /nfs/dbraw/zinc/04/44/30/297044430.db2.gz SVGZGXMVTQWJMG-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3CC[C@H](C4CC4)C3)c([O-])c2O1 ZINC000436917672 297044489 /nfs/dbraw/zinc/04/44/89/297044489.db2.gz XSYIJCJEWNUTJK-ZDUSSCGKSA-N -1 3 301.386 2.978 20 0 DFADHM COc1cc2nc(-c3ccc([O-])cc3C)[nH]c(=O)c2c(OC)c1 ZINC000436920544 297044943 /nfs/dbraw/zinc/04/49/43/297044943.db2.gz GYUYZZCEAOBKSA-UHFFFAOYSA-N -1 3 312.325 2.621 20 0 DFADHM CCn1nnnc1-c1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436929055 297045302 /nfs/dbraw/zinc/04/53/02/297045302.db2.gz TUSZKHSJWSGXHZ-UHFFFAOYSA-N -1 3 323.356 2.626 20 0 DFADHM CNC(=O)c1cc(NC(=O)c2ccc([O-])c(C)c2)ccc1Cl ZINC000436927243 297045569 /nfs/dbraw/zinc/04/55/69/297045569.db2.gz QIZMPAPZQJTJEB-UHFFFAOYSA-N -1 3 318.760 2.966 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)ccc1[O-] ZINC000436933365 297045719 /nfs/dbraw/zinc/04/57/19/297045719.db2.gz BUCCICPXNGMXNN-UKRRQHHQSA-N -1 3 318.417 2.514 20 0 DFADHM Cc1cccc(-c2nc(-c3cccc(-n4cncn4)c3)no2)c1[O-] ZINC000436934872 297045851 /nfs/dbraw/zinc/04/58/51/297045851.db2.gz IGVNCSCYVLWWPF-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM CC[C@@H]1CN(C(=O)c2ccc([O-])c(C)c2)[C@H](CC)CN1C(C)=O ZINC000436935524 297045923 /nfs/dbraw/zinc/04/59/23/297045923.db2.gz CSCLRYSHDIPQHS-HZPDHXFCSA-N -1 3 318.417 2.562 20 0 DFADHM Cc1cc(C(=O)N2CCN(c3ccccc3C)CC2)ccc1[O-] ZINC000436930471 297045931 /nfs/dbraw/zinc/04/59/31/297045931.db2.gz GKWOEDJACRXJCS-UHFFFAOYSA-N -1 3 310.397 2.971 20 0 DFADHM COC(=O)C[C@H](NC(=O)c1ccc([O-])c(C)c1)C1CCCCC1 ZINC000436931339 297046013 /nfs/dbraw/zinc/04/60/13/297046013.db2.gz BDUQXNFCVJASJB-HNNXBMFYSA-N -1 3 319.401 2.942 20 0 DFADHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1c(C)nn(C)c1C ZINC000436935535 297046031 /nfs/dbraw/zinc/04/60/31/297046031.db2.gz CWXGQHUAHLVTIU-CQSZACIVSA-N -1 3 301.390 2.932 20 0 DFADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc(OC)c1O ZINC000436936574 297046172 /nfs/dbraw/zinc/04/61/72/297046172.db2.gz ZBARFZFMFRKTGO-ZZXKWVIFSA-N -1 3 314.341 2.953 20 0 DFADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc(OC)c1O ZINC000436936569 297046271 /nfs/dbraw/zinc/04/62/71/297046271.db2.gz ZBARFZFMFRKTGO-UTCJRWHESA-N -1 3 314.341 2.953 20 0 DFADHM COc1ncccc1CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436946028 297046932 /nfs/dbraw/zinc/04/69/32/297046932.db2.gz BUXQUAQEFPBZBM-UHFFFAOYSA-N -1 3 312.369 2.605 20 0 DFADHM CC(C)CN1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000436949256 297047115 /nfs/dbraw/zinc/04/71/15/297047115.db2.gz QWVYJRZPYKEKPZ-UHFFFAOYSA-N -1 3 316.445 2.685 20 0 DFADHM COc1cccc2c(C(=O)Nc3ccc(F)cc3[O-])n[nH]c21 ZINC000436967271 297048517 /nfs/dbraw/zinc/04/85/17/297048517.db2.gz QDIAAQXRDUYCGF-UHFFFAOYSA-N -1 3 301.277 2.669 20 0 DFADHM CCCCOc1ccc(C(=O)NCC2=CCN(C)CC2)c([O-])c1 ZINC000436977349 297049352 /nfs/dbraw/zinc/04/93/52/297049352.db2.gz FLVWETDVGRDSEG-UHFFFAOYSA-N -1 3 318.417 2.563 20 0 DFADHM CCCCOc1ccc(C(=O)NCC[C@H]2CCOC2)c([O-])c1 ZINC000436988413 297050827 /nfs/dbraw/zinc/05/08/27/297050827.db2.gz PCXAMWNJIUHETQ-ZDUSSCGKSA-N -1 3 307.390 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GTGSMMPJTVCFEU-UHFFFAOYSA-N -1 3 313.810 2.540 20 0 DFADHM Cc1ccc(C(=O)N(C)C[C@H]2CCc3nccn3C2)c([O-])c1C ZINC000681899881 545746517 /nfs/dbraw/zinc/74/65/17/545746517.db2.gz URJFFBBHMDVMRX-CQSZACIVSA-N -1 3 313.401 2.540 20 0 DFADHM Cc1cccc(C(=O)Nc2cccnc2-c2cnn(C)c2)c1[O-] ZINC000682438831 545847823 /nfs/dbraw/zinc/84/78/23/545847823.db2.gz KWFINLIELQDXKM-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM CCc1ccc(C(=O)Nc2cnc3c(c2)c(C)nn3C)c([O-])c1 ZINC000682448739 545850013 /nfs/dbraw/zinc/85/00/13/545850013.db2.gz DUSXNONQCCNUEP-UHFFFAOYSA-N -1 3 310.357 2.797 20 0 DFADHM [O-]c1ccc(-c2noc(-c3cnn(CC(F)(F)F)c3)n2)cc1 ZINC000682521964 545866790 /nfs/dbraw/zinc/86/67/90/545866790.db2.gz HUFXULLHGFHTHW-UHFFFAOYSA-N -1 3 310.235 2.868 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2cccc(=O)[nH]2)c([O-])c1 ZINC000682811255 545919927 /nfs/dbraw/zinc/91/99/27/545919927.db2.gz HOBCCIMISKHDSW-UHFFFAOYSA-N -1 3 316.357 2.602 20 0 DFADHM O=C(Nc1n[nH]c2cc(F)ccc21)c1c[n-]c2ccccc2c1=O ZINC000682822751 545922147 /nfs/dbraw/zinc/92/21/47/545922147.db2.gz RARJPTDBDCAGIA-UHFFFAOYSA-N -1 3 322.299 2.796 20 0 DFADHM O=C(Nc1n[nH]c2cc(F)ccc21)c1cnc2ccccc2c1[O-] ZINC000682822751 545922148 /nfs/dbraw/zinc/92/21/48/545922148.db2.gz RARJPTDBDCAGIA-UHFFFAOYSA-N -1 3 322.299 2.796 20 0 DFADHM CC[C@]1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCOC1 ZINC000682938246 545944222 /nfs/dbraw/zinc/94/42/22/545944222.db2.gz UKFCCPBFACCHRB-LBPRGKRZSA-N -1 3 324.229 2.841 20 0 DFADHM CC[C@@]1([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)CCOC1 ZINC000682937138 545944410 /nfs/dbraw/zinc/94/44/10/545944410.db2.gz CKFANHFSQNQCDF-CQSZACIVSA-N -1 3 317.476 2.893 20 0 DFADHM O=c1[n-]nc(S[C@H]2CCc3ccccc32)n1C[C@@H]1CCCO1 ZINC000683737624 546084823 /nfs/dbraw/zinc/08/48/23/546084823.db2.gz RKNRPUZFZWRNHM-JSGCOSHPSA-N -1 3 317.414 2.942 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C1CCC1 ZINC000683759814 546089152 /nfs/dbraw/zinc/08/91/52/546089152.db2.gz HMGSCVYWRZIICK-SECBINFHSA-N -1 3 303.811 2.816 20 0 DFADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]C(C)(C)C(F)F ZINC000684599691 546250244 /nfs/dbraw/zinc/25/02/44/546250244.db2.gz SQBLGHVJAOZXDI-UHFFFAOYSA-N -1 3 314.357 2.865 20 0 DFADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)CC2(C)CCC2)o1 ZINC000684841725 546289557 /nfs/dbraw/zinc/28/95/57/546289557.db2.gz QJVWZHJAEUIFCP-CYBMUJFWSA-N -1 3 315.435 2.639 20 0 DFADHM O=C([N-]c1cncc(F)c1)c1noc(-c2cccc(F)c2)n1 ZINC000684985852 546314036 /nfs/dbraw/zinc/31/40/36/546314036.db2.gz KKSQRCXDIOKKET-UHFFFAOYSA-N -1 3 302.240 2.662 20 0 DFADHM CCN(Cc1nc2c(cnn2C)c(=O)[n-]1)c1ccccc1Cl ZINC000685041586 546323115 /nfs/dbraw/zinc/32/31/15/546323115.db2.gz YIDJODVHKCKNCM-UHFFFAOYSA-N -1 3 317.780 2.749 20 0 DFADHM CN1CC[C@@H](NCc2ncccc2[O-])[C@H]1c1ccc(Cl)cc1 ZINC000685425695 546347827 /nfs/dbraw/zinc/34/78/27/546347827.db2.gz BOCJILSSYXNKRC-RHSMWYFYSA-N -1 3 317.820 2.976 20 0 DFADHM COc1cccc2c(C(=O)Nc3ncc(Cl)s3)[n-]nc21 ZINC000685439231 546349264 /nfs/dbraw/zinc/34/92/64/546349264.db2.gz XSVONPZSLMFDQB-UHFFFAOYSA-N -1 3 308.750 2.934 20 0 DFADHM COc1cccc2c(C(=O)Nc3ncc(Cl)s3)n[n-]c21 ZINC000685439231 546349268 /nfs/dbraw/zinc/34/92/68/546349268.db2.gz XSVONPZSLMFDQB-UHFFFAOYSA-N -1 3 308.750 2.934 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](OC(F)F)C1 ZINC000685821658 546394262 /nfs/dbraw/zinc/39/42/62/546394262.db2.gz DPKRDFLFWSHSRB-VIFPVBQESA-N -1 3 305.708 2.889 20 0 DFADHM Cc1nc(-c2ccc(N3CCC[C@H](F)C3)nc2)[n-]c(=O)c1C ZINC000685917573 546408394 /nfs/dbraw/zinc/40/83/94/546408394.db2.gz FIOALROHSKOQNY-ZDUSSCGKSA-N -1 3 302.353 2.799 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](C(F)F)C3)nc2)n1 ZINC000685919699 546409975 /nfs/dbraw/zinc/40/99/75/546409975.db2.gz RLOZGIWLJPIIEI-LLVKDONJSA-N -1 3 320.343 2.898 20 0 DFADHM CCOC(=O)CCCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC000736591707 598824951 /nfs/dbraw/zinc/82/49/51/598824951.db2.gz IRBFXIYZOKCMII-UHFFFAOYSA-N -1 3 324.768 2.632 20 0 DFADHM CCOC(=O)CCCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC000736591707 598824952 /nfs/dbraw/zinc/82/49/52/598824952.db2.gz IRBFXIYZOKCMII-UHFFFAOYSA-N -1 3 324.768 2.632 20 0 DFADHM Cc1cccc([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737383592 598829771 /nfs/dbraw/zinc/82/97/71/598829771.db2.gz CGDDZZORIGIYCJ-LBPRGKRZSA-N -1 3 307.357 2.917 20 0 DFADHM Cc1cccc([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737383592 598829772 /nfs/dbraw/zinc/82/97/72/598829772.db2.gz CGDDZZORIGIYCJ-LBPRGKRZSA-N -1 3 307.357 2.917 20 0 DFADHM CC[C@H]1CCCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736401880 598837402 /nfs/dbraw/zinc/83/74/02/598837402.db2.gz ZJYWREYPCNOANW-HNNXBMFYSA-N -1 3 313.405 2.590 20 0 DFADHM CC[C@H]1CCCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736401880 598837404 /nfs/dbraw/zinc/83/74/04/598837404.db2.gz ZJYWREYPCNOANW-HNNXBMFYSA-N -1 3 313.405 2.590 20 0 DFADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)Oc1ccccc1 ZINC000736025290 598869066 /nfs/dbraw/zinc/86/90/66/598869066.db2.gz FSWBQOLHGFHVBA-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)Oc1ccccc1 ZINC000736025290 598869067 /nfs/dbraw/zinc/86/90/67/598869067.db2.gz FSWBQOLHGFHVBA-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)Oc1ccccc1 ZINC000736027240 598869262 /nfs/dbraw/zinc/86/92/62/598869262.db2.gz ZZIWPGSZDUUTSU-LLVKDONJSA-N -1 3 313.336 2.885 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)C1CCCC1 ZINC000737291728 598880193 /nfs/dbraw/zinc/88/01/93/598880193.db2.gz NZVOPHFDOGDHLE-LLVKDONJSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)C1CCCC1 ZINC000737291728 598880194 /nfs/dbraw/zinc/88/01/94/598880194.db2.gz NZVOPHFDOGDHLE-LLVKDONJSA-N -1 3 314.393 2.875 20 0 DFADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CC(C)(C)C ZINC000736037090 598884529 /nfs/dbraw/zinc/88/45/29/598884529.db2.gz JGYOLQULJFQMJP-LLVKDONJSA-N -1 3 318.377 2.613 20 0 DFADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CC(C)(C)C ZINC000736037090 598884530 /nfs/dbraw/zinc/88/45/30/598884530.db2.gz JGYOLQULJFQMJP-LLVKDONJSA-N -1 3 318.377 2.613 20 0 DFADHM CC(C)[C@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120119 598890237 /nfs/dbraw/zinc/89/02/37/598890237.db2.gz XHJGGTFDVPRDSV-NEPJUHHUSA-N -1 3 316.409 2.519 20 0 DFADHM CC(C)[C@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120119 598890238 /nfs/dbraw/zinc/89/02/38/598890238.db2.gz XHJGGTFDVPRDSV-NEPJUHHUSA-N -1 3 316.409 2.519 20 0 DFADHM c1cc(-c2nnn[n-]2)oc1CN[C@@H]1CCSc2ccccc21 ZINC000823802457 599395008 /nfs/dbraw/zinc/39/50/08/599395008.db2.gz PERSBOIHBNWNKY-GFCCVEGCSA-N -1 3 313.386 2.786 20 0 DFADHM C[C@H](CC1CCCC1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000735983963 598901765 /nfs/dbraw/zinc/90/17/65/598901765.db2.gz AIVPVFHFNVAYIG-LLVKDONJSA-N -1 3 300.362 2.989 20 0 DFADHM C[C@H](CC1CCCC1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735983963 598901766 /nfs/dbraw/zinc/90/17/66/598901766.db2.gz AIVPVFHFNVAYIG-LLVKDONJSA-N -1 3 300.362 2.989 20 0 DFADHM CC1CCC(=CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736236283 598925851 /nfs/dbraw/zinc/92/58/51/598925851.db2.gz IHOSCJHUYRXLET-UHFFFAOYSA-N -1 3 311.389 2.619 20 0 DFADHM CC1CCC(=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736236283 598925853 /nfs/dbraw/zinc/92/58/53/598925853.db2.gz IHOSCJHUYRXLET-UHFFFAOYSA-N -1 3 311.389 2.619 20 0 DFADHM CC(C)N(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000735851536 598940518 /nfs/dbraw/zinc/94/05/18/598940518.db2.gz YUENKLCKIXSHKS-UHFFFAOYSA-N -1 3 313.405 2.589 20 0 DFADHM CC(C)N(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000735851536 598940519 /nfs/dbraw/zinc/94/05/19/598940519.db2.gz YUENKLCKIXSHKS-UHFFFAOYSA-N -1 3 313.405 2.589 20 0 DFADHM CC(C)CC[C@](C)(O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735796474 598974350 /nfs/dbraw/zinc/97/43/50/598974350.db2.gz CFDUMPCHVURKBJ-AWEZNQCLSA-N -1 3 324.816 2.514 20 0 DFADHM CC(C)CC[C@](C)(O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735796474 598974352 /nfs/dbraw/zinc/97/43/52/598974352.db2.gz CFDUMPCHVURKBJ-AWEZNQCLSA-N -1 3 324.816 2.514 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc2c(c1)CCC2 ZINC000737032820 599011326 /nfs/dbraw/zinc/01/13/26/599011326.db2.gz QJNUWAHISCMFJJ-UHFFFAOYSA-N -1 3 322.368 2.943 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc2c(c1)CCC2 ZINC000737032820 599011329 /nfs/dbraw/zinc/01/13/29/599011329.db2.gz QJNUWAHISCMFJJ-UHFFFAOYSA-N -1 3 322.368 2.943 20 0 DFADHM Cc1ccc(NC(=O)CNc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822242363 607257007 /nfs/dbraw/zinc/25/70/07/607257007.db2.gz JHRNZCPAZAWPHL-UHFFFAOYSA-N -1 3 322.372 2.534 20 0 DFADHM Cc1ccc(NC(=O)CNc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822242363 607257008 /nfs/dbraw/zinc/25/70/08/607257008.db2.gz JHRNZCPAZAWPHL-UHFFFAOYSA-N -1 3 322.372 2.534 20 0 DFADHM CCN(C)C(=O)CCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821159911 607257771 /nfs/dbraw/zinc/25/77/71/607257771.db2.gz DGPUCHIWJLJYQK-NSHDSACASA-N -1 3 319.434 2.529 20 0 DFADHM CCN(C)C(=O)CCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821159911 607257772 /nfs/dbraw/zinc/25/77/72/607257772.db2.gz DGPUCHIWJLJYQK-NSHDSACASA-N -1 3 319.434 2.529 20 0 DFADHM C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820775937 599050569 /nfs/dbraw/zinc/05/05/69/599050569.db2.gz KEZQBVDEZCINBF-UKRRQHHQSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820775937 599050572 /nfs/dbraw/zinc/05/05/72/599050572.db2.gz KEZQBVDEZCINBF-UKRRQHHQSA-N -1 3 320.400 2.892 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822516379 599055709 /nfs/dbraw/zinc/05/57/09/599055709.db2.gz XNSSKVDWSSNOIS-YNEHKIRRSA-N -1 3 313.409 2.654 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822516379 599055712 /nfs/dbraw/zinc/05/57/12/599055712.db2.gz XNSSKVDWSSNOIS-YNEHKIRRSA-N -1 3 313.409 2.654 20 0 DFADHM CN(CCc1cccs1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821607334 599087745 /nfs/dbraw/zinc/08/77/45/599087745.db2.gz KHWWGEJXFNLARG-UHFFFAOYSA-N -1 3 320.809 2.656 20 0 DFADHM CN(CCc1cccs1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821607334 599087748 /nfs/dbraw/zinc/08/77/48/599087748.db2.gz KHWWGEJXFNLARG-UHFFFAOYSA-N -1 3 320.809 2.656 20 0 DFADHM CC1(C)CCCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000736209667 599093354 /nfs/dbraw/zinc/09/33/54/599093354.db2.gz DAUKTLOVLKTYNP-UHFFFAOYSA-N -1 3 305.407 2.581 20 0 DFADHM CC1(C)CCCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000736209667 599093357 /nfs/dbraw/zinc/09/33/57/599093357.db2.gz DAUKTLOVLKTYNP-UHFFFAOYSA-N -1 3 305.407 2.581 20 0 DFADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738018431 599096444 /nfs/dbraw/zinc/09/64/44/599096444.db2.gz ARRYYQICRBQQQW-GJZGRUSLSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738018431 599096446 /nfs/dbraw/zinc/09/64/46/599096446.db2.gz ARRYYQICRBQQQW-GJZGRUSLSA-N -1 3 311.389 2.565 20 0 DFADHM CCC[C@@H](CCO)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821020797 599104629 /nfs/dbraw/zinc/10/46/29/599104629.db2.gz ICUWQXRFNRJXCA-JTQLQIEISA-N -1 3 309.801 2.731 20 0 DFADHM CCC[C@@H](CCO)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821020797 599104631 /nfs/dbraw/zinc/10/46/31/599104631.db2.gz ICUWQXRFNRJXCA-JTQLQIEISA-N -1 3 309.801 2.731 20 0 DFADHM CCc1noc([C@H](C)Sc2ccccc2-c2nnn[n-]2)n1 ZINC000736713595 599108002 /nfs/dbraw/zinc/10/80/02/599108002.db2.gz QHHLQJBMMNNKQK-QMMMGPOBSA-N -1 3 302.363 2.665 20 0 DFADHM CCc1noc([C@H](C)Sc2ccccc2-c2nn[n-]n2)n1 ZINC000736713595 599108004 /nfs/dbraw/zinc/10/80/04/599108004.db2.gz QHHLQJBMMNNKQK-QMMMGPOBSA-N -1 3 302.363 2.665 20 0 DFADHM CCC[C@@]1(C)CCCN(c2nnc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821028018 599110343 /nfs/dbraw/zinc/11/03/43/599110343.db2.gz RPVAEKJBMGIXBO-INIZCTEOSA-N -1 3 315.425 2.680 20 0 DFADHM CCC[C@@]1(C)CCCN(c2nnc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821028018 599110345 /nfs/dbraw/zinc/11/03/45/599110345.db2.gz RPVAEKJBMGIXBO-INIZCTEOSA-N -1 3 315.425 2.680 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1cccs1 ZINC000737408684 599121391 /nfs/dbraw/zinc/12/13/91/599121391.db2.gz KBERZFKJAZPFAX-UHFFFAOYSA-N -1 3 322.397 2.819 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1cccs1 ZINC000737408684 599121393 /nfs/dbraw/zinc/12/13/93/599121393.db2.gz KBERZFKJAZPFAX-UHFFFAOYSA-N -1 3 322.397 2.819 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)/C=C(\C)C(C)(C)C ZINC000821699263 599134698 /nfs/dbraw/zinc/13/46/98/599134698.db2.gz IRFKHKWVHPXQEA-CSKARUKUSA-N -1 3 316.361 2.773 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)/C=C(\C)C(C)(C)C ZINC000821699263 599134700 /nfs/dbraw/zinc/13/47/00/599134700.db2.gz IRFKHKWVHPXQEA-CSKARUKUSA-N -1 3 316.361 2.773 20 0 DFADHM Cc1nc(C)c(CSc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000737473109 599164956 /nfs/dbraw/zinc/16/49/56/599164956.db2.gz DWZZOKKVDQQGJG-UHFFFAOYSA-N -1 3 304.404 2.627 20 0 DFADHM Cc1nc(C)c(CSc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000737473109 599164959 /nfs/dbraw/zinc/16/49/59/599164959.db2.gz DWZZOKKVDQQGJG-UHFFFAOYSA-N -1 3 304.404 2.627 20 0 DFADHM CCC[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)OCC ZINC000736434756 599169547 /nfs/dbraw/zinc/16/95/47/599169547.db2.gz HWINESJHIQGSSX-LBPRGKRZSA-N -1 3 324.381 2.830 20 0 DFADHM CCC[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)OCC ZINC000736434756 599169548 /nfs/dbraw/zinc/16/95/48/599169548.db2.gz HWINESJHIQGSSX-LBPRGKRZSA-N -1 3 324.381 2.830 20 0 DFADHM CC(C)(C)[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000735594772 599170012 /nfs/dbraw/zinc/17/00/12/599170012.db2.gz BOWMXFXXHFTDHL-GFCCVEGCSA-N -1 3 300.410 2.914 20 0 DFADHM CC(C)(C)[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000735594772 599170015 /nfs/dbraw/zinc/17/00/15/599170015.db2.gz BOWMXFXXHFTDHL-GFCCVEGCSA-N -1 3 300.410 2.914 20 0 DFADHM O=C(CC1CCCCC1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822940993 599177165 /nfs/dbraw/zinc/17/71/65/599177165.db2.gz MLCVRJJRZIRBTI-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM O=C(CC1CCCCC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822940993 599177167 /nfs/dbraw/zinc/17/71/67/599177167.db2.gz MLCVRJJRZIRBTI-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821034638 599195069 /nfs/dbraw/zinc/19/50/69/599195069.db2.gz QDNIZPNQADBALC-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821034638 599195070 /nfs/dbraw/zinc/19/50/70/599195070.db2.gz QDNIZPNQADBALC-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CCO[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1C)C(C)C ZINC000821351849 607266315 /nfs/dbraw/zinc/26/63/15/607266315.db2.gz VOJRUUVSFQGULT-AWEZNQCLSA-N -1 3 317.393 2.565 20 0 DFADHM CCO[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1C)C(C)C ZINC000821351849 607266316 /nfs/dbraw/zinc/26/63/16/607266316.db2.gz VOJRUUVSFQGULT-AWEZNQCLSA-N -1 3 317.393 2.565 20 0 DFADHM Cc1c(NC(=O)c2ccc(Cl)o2)cccc1-c1nnn[n-]1 ZINC000822110121 607269849 /nfs/dbraw/zinc/26/98/49/607269849.db2.gz WDPKDCVGFDLZTM-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM Cc1c(NC(=O)c2ccc(Cl)o2)cccc1-c1nn[n-]n1 ZINC000822110121 607269850 /nfs/dbraw/zinc/26/98/50/607269850.db2.gz WDPKDCVGFDLZTM-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)CC(=O)N2C ZINC000263448123 597245777 /nfs/dbraw/zinc/24/57/77/597245777.db2.gz YPLZGELJMUZJKX-LBPRGKRZSA-N -1 3 324.380 2.755 20 0 DFADHM Cc1nn(-c2ccccc2)c(Cl)c1CNCCCC(=O)[O-] ZINC000813355028 597263987 /nfs/dbraw/zinc/26/39/87/597263987.db2.gz VJQGVIZTWKUCMT-UHFFFAOYSA-N -1 3 307.781 2.789 20 0 DFADHM CCC[C@H](C)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821016078 607282791 /nfs/dbraw/zinc/28/27/91/607282791.db2.gz VFUQQJLOPXVNLJ-JTQLQIEISA-N -1 3 302.382 2.827 20 0 DFADHM CCC[C@H](C)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821016078 607282792 /nfs/dbraw/zinc/28/27/92/607282792.db2.gz VFUQQJLOPXVNLJ-JTQLQIEISA-N -1 3 302.382 2.827 20 0 DFADHM Cc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822237556 607282861 /nfs/dbraw/zinc/28/28/61/607282861.db2.gz ZITICBZGQNHRCI-UHFFFAOYSA-N -1 3 322.372 2.805 20 0 DFADHM Cc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822237556 607282862 /nfs/dbraw/zinc/28/28/62/607282862.db2.gz ZITICBZGQNHRCI-UHFFFAOYSA-N -1 3 322.372 2.805 20 0 DFADHM CN(Cc1ccc(Cl)cc1)c1cnccc1-c1nn[n-]n1 ZINC000825966107 607838680 /nfs/dbraw/zinc/83/86/80/607838680.db2.gz OIJXOFLCEGPLCR-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM Cc1c(NC(=O)N[C@@H]2CCCC[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822092321 607289333 /nfs/dbraw/zinc/28/93/33/607289333.db2.gz WADGFWJGHPFQMB-ZWNOBZJWSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@@H]2CCCC[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822092321 607289334 /nfs/dbraw/zinc/28/93/34/607289334.db2.gz WADGFWJGHPFQMB-ZWNOBZJWSA-N -1 3 314.393 2.875 20 0 DFADHM CN(Cc1ccc(Cl)cc1)c1cnccc1-c1nnn[n-]1 ZINC000825966107 607838679 /nfs/dbraw/zinc/83/86/79/607838679.db2.gz OIJXOFLCEGPLCR-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM Cc1nn(C)c(C)c1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000822492225 607303191 /nfs/dbraw/zinc/30/31/91/607303191.db2.gz VYVMULPVIWPCQK-UHFFFAOYSA-N -1 3 320.360 2.509 20 0 DFADHM Cc1nn(C)c(C)c1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000822492225 607303192 /nfs/dbraw/zinc/30/31/92/607303192.db2.gz VYVMULPVIWPCQK-UHFFFAOYSA-N -1 3 320.360 2.509 20 0 DFADHM Cc1c(NC(=O)c2cccc3c2CCC3)cccc1-c1nnn[n-]1 ZINC000822116543 607296177 /nfs/dbraw/zinc/29/61/77/607296177.db2.gz SYDUFBJBRBRHQH-UHFFFAOYSA-N -1 3 319.368 2.916 20 0 DFADHM Cc1c(NC(=O)c2cccc3c2CCC3)cccc1-c1nn[n-]n1 ZINC000822116543 607296178 /nfs/dbraw/zinc/29/61/78/607296178.db2.gz SYDUFBJBRBRHQH-UHFFFAOYSA-N -1 3 319.368 2.916 20 0 DFADHM Cc1c(NC(=O)C2(c3ccccc3)CC2)cccc1-c1nnn[n-]1 ZINC000822061207 607297284 /nfs/dbraw/zinc/29/72/84/607297284.db2.gz KZWJSIMSJMHPQJ-UHFFFAOYSA-N -1 3 319.368 2.845 20 0 DFADHM Cc1c(NC(=O)C2(c3ccccc3)CC2)cccc1-c1nn[n-]n1 ZINC000822061207 607297285 /nfs/dbraw/zinc/29/72/85/607297285.db2.gz KZWJSIMSJMHPQJ-UHFFFAOYSA-N -1 3 319.368 2.845 20 0 DFADHM Cc1ccc(CN(C)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000822237549 607303048 /nfs/dbraw/zinc/30/30/48/607303048.db2.gz YYLORZJJRGFBBS-UHFFFAOYSA-N -1 3 305.288 2.683 20 0 DFADHM Cc1ccc(CN(C)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822237549 607303049 /nfs/dbraw/zinc/30/30/49/607303049.db2.gz YYLORZJJRGFBBS-UHFFFAOYSA-N -1 3 305.288 2.683 20 0 DFADHM O[C@@H]1CCCC[C@H]1CCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000823706808 607306520 /nfs/dbraw/zinc/30/65/20/607306520.db2.gz PDHKXFVDSDNVMA-XHDPSFHLSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@@H]1CCCC[C@H]1CCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000823706808 607306521 /nfs/dbraw/zinc/30/65/21/607306521.db2.gz PDHKXFVDSDNVMA-XHDPSFHLSA-N -1 3 319.384 2.749 20 0 DFADHM CC1(C)Oc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2O1 ZINC000820607595 607312200 /nfs/dbraw/zinc/31/22/00/607312200.db2.gz WTPISGNKPTULQO-UHFFFAOYSA-N -1 3 323.356 2.986 20 0 DFADHM CC1(C)Oc2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2O1 ZINC000820607595 607312201 /nfs/dbraw/zinc/31/22/01/607312201.db2.gz WTPISGNKPTULQO-UHFFFAOYSA-N -1 3 323.356 2.986 20 0 DFADHM C[C@H](Nc1nnc(C2CC2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461546 607303715 /nfs/dbraw/zinc/30/37/15/607303715.db2.gz MALRUDLFHKEMRL-QMMMGPOBSA-N -1 3 313.390 2.769 20 0 DFADHM C[C@H](Nc1nnc(C2CC2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461546 607303716 /nfs/dbraw/zinc/30/37/16/607303716.db2.gz MALRUDLFHKEMRL-QMMMGPOBSA-N -1 3 313.390 2.769 20 0 DFADHM C[C@@H](Nc1nnc(C(F)F)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462122 607303724 /nfs/dbraw/zinc/30/37/24/607303724.db2.gz VBRBTSOGHXPXBE-ZCFIWIBFSA-N -1 3 323.332 2.829 20 0 DFADHM C[C@@H](Nc1nnc(C(F)F)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462122 607303725 /nfs/dbraw/zinc/30/37/25/607303725.db2.gz VBRBTSOGHXPXBE-ZCFIWIBFSA-N -1 3 323.332 2.829 20 0 DFADHM C[C@@H](Nc1nnc(C(F)F)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461875 607304626 /nfs/dbraw/zinc/30/46/26/607304626.db2.gz RUBIUSQSQMGBEC-ZCFIWIBFSA-N -1 3 323.332 2.829 20 0 DFADHM C[C@@H](Nc1nnc(C(F)F)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461875 607304627 /nfs/dbraw/zinc/30/46/27/607304627.db2.gz RUBIUSQSQMGBEC-ZCFIWIBFSA-N -1 3 323.332 2.829 20 0 DFADHM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@H](C(=O)[O-])C1 ZINC000246548096 597535682 /nfs/dbraw/zinc/53/56/82/597535682.db2.gz SXKLVEULRDPZAP-SWLSCSKDSA-N -1 3 312.369 2.573 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NCCCc1nccs1 ZINC000737639968 599267559 /nfs/dbraw/zinc/26/75/59/599267559.db2.gz IRQNAMNUZLQOMZ-UHFFFAOYSA-N -1 3 304.354 2.507 20 0 DFADHM COCCCCN(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736980244 599268680 /nfs/dbraw/zinc/26/86/80/599268680.db2.gz BLVRASBOCNPJKK-UHFFFAOYSA-N -1 3 303.410 2.756 20 0 DFADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000820147826 598191913 /nfs/dbraw/zinc/19/19/13/598191913.db2.gz HXAHIDXRZFPWNE-IPQOISQHSA-N -1 3 317.410 2.973 20 0 DFADHM O=C([O-])c1cccc(CNCc2cnc3ccc(Cl)cn23)c1 ZINC000821552631 598194295 /nfs/dbraw/zinc/19/42/95/598194295.db2.gz NQCJOQJOEZIKLG-UHFFFAOYSA-N -1 3 315.760 2.976 20 0 DFADHM O=C([O-])c1cccc(CNCc2ccccc2Cn2cccn2)c1 ZINC000821552285 598202588 /nfs/dbraw/zinc/20/25/88/598202588.db2.gz GEDBYAYMTTUXAT-UHFFFAOYSA-N -1 3 321.380 2.919 20 0 DFADHM O=C([O-])c1ccnc(NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000821552551 598218786 /nfs/dbraw/zinc/21/87/86/598218786.db2.gz BTNVJORYEOWYGG-CYBMUJFWSA-N -1 3 301.346 2.622 20 0 DFADHM Cc1cccc2c1CC[C@H]2NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737409021 598241123 /nfs/dbraw/zinc/24/11/23/598241123.db2.gz LZNUNPHGJATBFP-MRXNPFEDSA-N -1 3 319.368 2.592 20 0 DFADHM Cc1cccc2c1CC[C@H]2NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737409021 598241125 /nfs/dbraw/zinc/24/11/25/598241125.db2.gz LZNUNPHGJATBFP-MRXNPFEDSA-N -1 3 319.368 2.592 20 0 DFADHM C[C@@H](COc1ccccc1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000736041177 598241621 /nfs/dbraw/zinc/24/16/21/598241621.db2.gz UCJMYQAMUHHXDM-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM C[C@@H](COc1ccccc1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000736041177 598241622 /nfs/dbraw/zinc/24/16/22/598241622.db2.gz UCJMYQAMUHHXDM-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM COc1c(C)cc(CN(C)c2ccc(-c3nnn[n-]3)cn2)cc1C ZINC000737023352 598247888 /nfs/dbraw/zinc/24/78/88/598247888.db2.gz LTYPGCULQGXZLH-UHFFFAOYSA-N -1 3 324.388 2.524 20 0 DFADHM COc1c(C)cc(CN(C)c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC000737023352 598247890 /nfs/dbraw/zinc/24/78/90/598247890.db2.gz LTYPGCULQGXZLH-UHFFFAOYSA-N -1 3 324.388 2.524 20 0 DFADHM COc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737143469 598248692 /nfs/dbraw/zinc/24/86/92/598248692.db2.gz RPJXVGTWQKRORV-AWEZNQCLSA-N -1 3 323.356 2.811 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)n1cccc1 ZINC000737290056 598259222 /nfs/dbraw/zinc/25/92/22/598259222.db2.gz BBMVQVIDMYWWFX-LBPRGKRZSA-N -1 3 310.361 2.566 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)n1cccc1 ZINC000737290056 598259225 /nfs/dbraw/zinc/25/92/25/598259225.db2.gz BBMVQVIDMYWWFX-LBPRGKRZSA-N -1 3 310.361 2.566 20 0 DFADHM CN(C(=O)c1ccc(Cl)o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736743005 598281793 /nfs/dbraw/zinc/28/17/93/598281793.db2.gz WGYYEUCTRFLLNU-UHFFFAOYSA-N -1 3 321.699 2.529 20 0 DFADHM CN(C(=O)c1ccc(Cl)o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736743005 598281795 /nfs/dbraw/zinc/28/17/95/598281795.db2.gz WGYYEUCTRFLLNU-UHFFFAOYSA-N -1 3 321.699 2.529 20 0 DFADHM C[C@H](CCc1ccco1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735992543 598386272 /nfs/dbraw/zinc/38/62/72/598386272.db2.gz JKHARDUMYMDEEB-SECBINFHSA-N -1 3 318.768 2.941 20 0 DFADHM C[C@H](CCc1ccco1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735992543 598386273 /nfs/dbraw/zinc/38/62/73/598386273.db2.gz JKHARDUMYMDEEB-SECBINFHSA-N -1 3 318.768 2.941 20 0 DFADHM Fc1ccccc1CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737669946 598386762 /nfs/dbraw/zinc/38/67/62/598386762.db2.gz RTHYUHFHYZTREG-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM Fc1ccccc1CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737669946 598386764 /nfs/dbraw/zinc/38/67/64/598386764.db2.gz RTHYUHFHYZTREG-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM CC(=O)Nc1cccc(COc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000735488656 598394178 /nfs/dbraw/zinc/39/41/78/598394178.db2.gz MTCOTXHQWROVCA-UHFFFAOYSA-N -1 3 323.356 2.713 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cccnc1Cl ZINC000736823299 598396113 /nfs/dbraw/zinc/39/61/13/598396113.db2.gz VLCATHVXBBDGGN-UHFFFAOYSA-N -1 3 314.780 2.547 20 0 DFADHM Clc1ncccc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000737583966 598414968 /nfs/dbraw/zinc/41/49/68/598414968.db2.gz OXVAXUMXLHDKPY-UHFFFAOYSA-N -1 3 304.766 2.602 20 0 DFADHM Clc1ncccc1CSc1cc(-c2nn[n-]n2)ccn1 ZINC000737583966 598414970 /nfs/dbraw/zinc/41/49/70/598414970.db2.gz OXVAXUMXLHDKPY-UHFFFAOYSA-N -1 3 304.766 2.602 20 0 DFADHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000737194909 598418171 /nfs/dbraw/zinc/41/81/71/598418171.db2.gz VFIRPIMYEILHKR-LLVKDONJSA-N -1 3 324.413 2.914 20 0 DFADHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000737194909 598418172 /nfs/dbraw/zinc/41/81/72/598418172.db2.gz VFIRPIMYEILHKR-LLVKDONJSA-N -1 3 324.413 2.914 20 0 DFADHM Cc1cccc(N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737395880 598418478 /nfs/dbraw/zinc/41/84/78/598418478.db2.gz AOYZSNAMFXUXHE-ZHACJKMWSA-N -1 3 319.368 2.851 20 0 DFADHM Cc1cccc(N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737395880 598418480 /nfs/dbraw/zinc/41/84/80/598418480.db2.gz AOYZSNAMFXUXHE-ZHACJKMWSA-N -1 3 319.368 2.851 20 0 DFADHM Cc1ccc(F)c(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737342584 598418484 /nfs/dbraw/zinc/41/84/84/598418484.db2.gz HXLHXSMCBSNOCV-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1ccc(F)c(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737342584 598418485 /nfs/dbraw/zinc/41/84/85/598418485.db2.gz HXLHXSMCBSNOCV-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Fc1ccccc1[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737664864 598428222 /nfs/dbraw/zinc/42/82/22/598428222.db2.gz POELNKCXEFIAMO-ZDUSSCGKSA-N -1 3 309.348 3.000 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737194900 598429082 /nfs/dbraw/zinc/42/90/82/598429082.db2.gz UMXUGFHRZMOSHQ-LLVKDONJSA-N -1 3 308.345 2.749 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737194900 598429084 /nfs/dbraw/zinc/42/90/84/598429084.db2.gz UMXUGFHRZMOSHQ-LLVKDONJSA-N -1 3 308.345 2.749 20 0 DFADHM CC(C)CCCCCCNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735798638 598457770 /nfs/dbraw/zinc/45/77/70/598457770.db2.gz XTXFXMXDRZEBHG-UHFFFAOYSA-N -1 3 316.409 2.598 20 0 DFADHM CC(C)CCCCCCNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735798638 598457771 /nfs/dbraw/zinc/45/77/71/598457771.db2.gz XTXFXMXDRZEBHG-UHFFFAOYSA-N -1 3 316.409 2.598 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc2[nH]ccc2c1 ZINC000737293476 598462368 /nfs/dbraw/zinc/46/23/68/598462368.db2.gz DQBHHQDYKQLLGZ-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2[nH]ccc2c1 ZINC000737293476 598462370 /nfs/dbraw/zinc/46/23/70/598462370.db2.gz DQBHHQDYKQLLGZ-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM CCCc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736496515 598482714 /nfs/dbraw/zinc/48/27/14/598482714.db2.gz DPVMVBVFLBVPBZ-UHFFFAOYSA-N -1 3 323.356 2.571 20 0 DFADHM CCCc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736496515 598482715 /nfs/dbraw/zinc/48/27/15/598482715.db2.gz DPVMVBVFLBVPBZ-UHFFFAOYSA-N -1 3 323.356 2.571 20 0 DFADHM CC(C)SCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000735920928 598485152 /nfs/dbraw/zinc/48/51/52/598485152.db2.gz AWBGIVAYGBWNBF-SNVBAGLBSA-N -1 3 306.391 2.613 20 0 DFADHM CC(C)SCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000735920928 598485153 /nfs/dbraw/zinc/48/51/53/598485153.db2.gz AWBGIVAYGBWNBF-SNVBAGLBSA-N -1 3 306.391 2.613 20 0 DFADHM C[C@@H](OC(=O)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000736163041 598490593 /nfs/dbraw/zinc/49/05/93/598490593.db2.gz LIIIDVOTSVFACE-SECBINFHSA-N -1 3 300.343 2.846 20 0 DFADHM C[C@@H](OC(=O)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000736163041 598490594 /nfs/dbraw/zinc/49/05/94/598490594.db2.gz LIIIDVOTSVFACE-SECBINFHSA-N -1 3 300.343 2.846 20 0 DFADHM C[C@@H]1C[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736239705 598501301 /nfs/dbraw/zinc/50/13/01/598501301.db2.gz TUVYULOWDFXOKW-BZNIZROVSA-N -1 3 319.368 2.672 20 0 DFADHM C[C@@H]1C[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736239705 598501303 /nfs/dbraw/zinc/50/13/03/598501303.db2.gz TUVYULOWDFXOKW-BZNIZROVSA-N -1 3 319.368 2.672 20 0 DFADHM Clc1ccc(NCCCOCC2CC2)c(-c2nnn[n-]2)c1 ZINC000737572919 598508485 /nfs/dbraw/zinc/50/84/85/598508485.db2.gz BMUHTRQDBHFJHO-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM Clc1ccc(NCCCOCC2CC2)c(-c2nn[n-]n2)c1 ZINC000737572919 598508487 /nfs/dbraw/zinc/50/84/87/598508487.db2.gz BMUHTRQDBHFJHO-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM CCc1c(C)sc(NC(=O)CCOC(C)C)c1-c1nnn[n-]1 ZINC000736669336 598515175 /nfs/dbraw/zinc/51/51/75/598515175.db2.gz FGFDZFKPJBCBQP-UHFFFAOYSA-N -1 3 323.422 2.553 20 0 DFADHM CCc1c(C)sc(NC(=O)CCOC(C)C)c1-c1nn[n-]n1 ZINC000736669336 598515177 /nfs/dbraw/zinc/51/51/77/598515177.db2.gz FGFDZFKPJBCBQP-UHFFFAOYSA-N -1 3 323.422 2.553 20 0 DFADHM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736349631 598517987 /nfs/dbraw/zinc/51/79/87/598517987.db2.gz HYOAJTKCCHBITK-INIZCTEOSA-N -1 3 321.384 2.618 20 0 DFADHM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736349631 598517988 /nfs/dbraw/zinc/51/79/88/598517988.db2.gz HYOAJTKCCHBITK-INIZCTEOSA-N -1 3 321.384 2.618 20 0 DFADHM CC(=O)Nc1ccc(C)cc1NCc1ccccc1-c1nnn[n-]1 ZINC000735484775 598522100 /nfs/dbraw/zinc/52/21/00/598522100.db2.gz NRTSFDNCBNCXOS-UHFFFAOYSA-N -1 3 322.372 2.746 20 0 DFADHM CC(=O)Nc1ccc(C)cc1NCc1ccccc1-c1nn[n-]n1 ZINC000735484775 598522101 /nfs/dbraw/zinc/52/21/01/598522101.db2.gz NRTSFDNCBNCXOS-UHFFFAOYSA-N -1 3 322.372 2.746 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000735572325 598551504 /nfs/dbraw/zinc/55/15/04/598551504.db2.gz VKTBGQHEXFLBBV-JTQLQIEISA-N -1 3 312.304 2.715 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735572325 598551505 /nfs/dbraw/zinc/55/15/05/598551505.db2.gz VKTBGQHEXFLBBV-JTQLQIEISA-N -1 3 312.304 2.715 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000738165910 598590003 /nfs/dbraw/zinc/59/00/03/598590003.db2.gz GNGXIHGEMDBDEG-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000738165910 598590004 /nfs/dbraw/zinc/59/00/04/598590004.db2.gz GNGXIHGEMDBDEG-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)cc1)CCO2 ZINC000737668570 598592636 /nfs/dbraw/zinc/59/26/36/598592636.db2.gz VZCPXAHQGOQQCO-CQSZACIVSA-N -1 3 311.320 2.942 20 0 DFADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000736361747 598627364 /nfs/dbraw/zinc/62/73/64/598627364.db2.gz HTZZNABYASNEEG-GFCCVEGCSA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000736361747 598627366 /nfs/dbraw/zinc/62/73/66/598627366.db2.gz HTZZNABYASNEEG-GFCCVEGCSA-N -1 3 306.345 2.562 20 0 DFADHM CC(C)[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735747127 598623631 /nfs/dbraw/zinc/62/36/31/598623631.db2.gz BOQYWYGINPTWSU-CYBMUJFWSA-N -1 3 318.356 2.658 20 0 DFADHM CC(C)[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735747127 598623632 /nfs/dbraw/zinc/62/36/32/598623632.db2.gz BOQYWYGINPTWSU-CYBMUJFWSA-N -1 3 318.356 2.658 20 0 DFADHM CC(C)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735747128 598623648 /nfs/dbraw/zinc/62/36/48/598623648.db2.gz BOQYWYGINPTWSU-ZDUSSCGKSA-N -1 3 318.356 2.658 20 0 DFADHM CC(C)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735747128 598623649 /nfs/dbraw/zinc/62/36/49/598623649.db2.gz BOQYWYGINPTWSU-ZDUSSCGKSA-N -1 3 318.356 2.658 20 0 DFADHM C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736259019 598631589 /nfs/dbraw/zinc/63/15/89/598631589.db2.gz IIVMBEHINGWDPZ-ZJUUUORDSA-N -1 3 318.356 2.706 20 0 DFADHM C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736259019 598631592 /nfs/dbraw/zinc/63/15/92/598631592.db2.gz IIVMBEHINGWDPZ-ZJUUUORDSA-N -1 3 318.356 2.706 20 0 DFADHM CN(Cc1ccccn1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736828142 598634790 /nfs/dbraw/zinc/63/47/90/598634790.db2.gz IBKPFCIMRSEPSQ-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1ccccn1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736828142 598634791 /nfs/dbraw/zinc/63/47/91/598634791.db2.gz IBKPFCIMRSEPSQ-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM Clc1cc(NCCc2ccccn2)ccc1-c1nnn[n-]1 ZINC000737567035 598636454 /nfs/dbraw/zinc/63/64/54/598636454.db2.gz WPSLKOYBBZMEBZ-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1cc(NCCc2ccccn2)ccc1-c1nn[n-]n1 ZINC000737567035 598636457 /nfs/dbraw/zinc/63/64/57/598636457.db2.gz WPSLKOYBBZMEBZ-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM CCc1nnc([C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736708319 598640342 /nfs/dbraw/zinc/64/03/42/598640342.db2.gz WCCBPPFWIQAMJL-MRVPVSSYSA-N -1 3 302.363 2.665 20 0 DFADHM CCc1nnc([C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736708319 598640344 /nfs/dbraw/zinc/64/03/44/598640344.db2.gz WCCBPPFWIQAMJL-MRVPVSSYSA-N -1 3 302.363 2.665 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000735496175 598655710 /nfs/dbraw/zinc/65/57/10/598655710.db2.gz XGCGRRHKLPLOBD-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000735496175 598655712 /nfs/dbraw/zinc/65/57/12/598655712.db2.gz XGCGRRHKLPLOBD-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC000735978173 598661260 /nfs/dbraw/zinc/66/12/60/598661260.db2.gz ZBGFGQCTIUVLIO-SNVBAGLBSA-N -1 3 302.382 2.663 20 0 DFADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC000735978173 598661261 /nfs/dbraw/zinc/66/12/61/598661261.db2.gz ZBGFGQCTIUVLIO-SNVBAGLBSA-N -1 3 302.382 2.663 20 0 DFADHM Cc1cccnc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737437003 598672545 /nfs/dbraw/zinc/67/25/45/598672545.db2.gz VDKJTZJCZJJHMW-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cccnc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737437003 598672547 /nfs/dbraw/zinc/67/25/47/598672547.db2.gz VDKJTZJCZJJHMW-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000736139147 598678992 /nfs/dbraw/zinc/67/89/92/598678992.db2.gz OTCWPUYIDDLCEJ-ZUZCIYMTSA-N -1 3 313.336 2.540 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1F ZINC000738236394 598707555 /nfs/dbraw/zinc/70/75/55/598707555.db2.gz XRMRCWXGOWCQRW-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1F ZINC000738236394 598707556 /nfs/dbraw/zinc/70/75/56/598707556.db2.gz XRMRCWXGOWCQRW-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM C[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000736290961 598708007 /nfs/dbraw/zinc/70/80/07/598708007.db2.gz SLQWTPFOXXKRDC-GFCCVEGCSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000736290961 598708009 /nfs/dbraw/zinc/70/80/09/598708009.db2.gz SLQWTPFOXXKRDC-GFCCVEGCSA-N -1 3 307.357 2.654 20 0 DFADHM Clc1snnc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737583530 598720168 /nfs/dbraw/zinc/72/01/68/598720168.db2.gz MAPQGVZNKWSJPS-UHFFFAOYSA-N -1 3 310.795 2.664 20 0 DFADHM Clc1snnc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737583530 598720170 /nfs/dbraw/zinc/72/01/70/598720170.db2.gz MAPQGVZNKWSJPS-UHFFFAOYSA-N -1 3 310.795 2.664 20 0 DFADHM CC(C)N(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000735851466 598734380 /nfs/dbraw/zinc/73/43/80/598734380.db2.gz WJNVFHIUFSGTAW-UHFFFAOYSA-N -1 3 313.405 2.589 20 0 DFADHM CC(C)N(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000735851466 598734381 /nfs/dbraw/zinc/73/43/81/598734381.db2.gz WJNVFHIUFSGTAW-UHFFFAOYSA-N -1 3 313.405 2.589 20 0 DFADHM Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)ccc1F ZINC000737237989 598735036 /nfs/dbraw/zinc/73/50/36/598735036.db2.gz GEJWPJAZQRQTQT-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)ccc1F ZINC000737237989 598735037 /nfs/dbraw/zinc/73/50/37/598735037.db2.gz GEJWPJAZQRQTQT-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Fc1cccc2ncnc(Oc3ccccc3-c3nnn[n-]3)c12 ZINC000737662712 598743664 /nfs/dbraw/zinc/74/36/64/598743664.db2.gz DEEQNKYMEQNYJG-UHFFFAOYSA-N -1 3 308.276 2.741 20 0 DFADHM Fc1cccc2ncnc(Oc3ccccc3-c3nn[n-]n3)c12 ZINC000737662712 598743665 /nfs/dbraw/zinc/74/36/65/598743665.db2.gz DEEQNKYMEQNYJG-UHFFFAOYSA-N -1 3 308.276 2.741 20 0 DFADHM CCCCS[C@H](C)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736463414 598749931 /nfs/dbraw/zinc/74/99/31/598749931.db2.gz PHBMFMQYHZLLFC-MRVPVSSYSA-N -1 3 311.436 2.789 20 0 DFADHM CCCCS[C@H](C)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736463414 598749932 /nfs/dbraw/zinc/74/99/32/598749932.db2.gz PHBMFMQYHZLLFC-MRVPVSSYSA-N -1 3 311.436 2.789 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736059498 598750410 /nfs/dbraw/zinc/75/04/10/598750410.db2.gz TYIXBYGTDRJGIH-CYBMUJFWSA-N -1 3 322.368 2.789 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736059498 598750411 /nfs/dbraw/zinc/75/04/11/598750411.db2.gz TYIXBYGTDRJGIH-CYBMUJFWSA-N -1 3 322.368 2.789 20 0 DFADHM Cc1sc(NC(=O)C2CCSCC2)c(-c2nnn[n-]2)c1C ZINC000737562651 598790459 /nfs/dbraw/zinc/79/04/59/598790459.db2.gz OKGHUJCBEYPPOW-UHFFFAOYSA-N -1 3 323.447 2.627 20 0 DFADHM Cc1sc(NC(=O)C2CCSCC2)c(-c2nn[n-]n2)c1C ZINC000737562651 598790460 /nfs/dbraw/zinc/79/04/60/598790460.db2.gz OKGHUJCBEYPPOW-UHFFFAOYSA-N -1 3 323.447 2.627 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC000738160832 598792387 /nfs/dbraw/zinc/79/23/87/598792387.db2.gz CRXSTFJDXUPJNQ-CYBMUJFWSA-N -1 3 323.331 2.674 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC000738160832 598792388 /nfs/dbraw/zinc/79/23/88/598792388.db2.gz CRXSTFJDXUPJNQ-CYBMUJFWSA-N -1 3 323.331 2.674 20 0 DFADHM COCc1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737021776 598794875 /nfs/dbraw/zinc/79/48/75/598794875.db2.gz BJSHZRSLHSDYJJ-UHFFFAOYSA-N -1 3 314.320 2.731 20 0 DFADHM COCc1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737021776 598794877 /nfs/dbraw/zinc/79/48/77/598794877.db2.gz BJSHZRSLHSDYJJ-UHFFFAOYSA-N -1 3 314.320 2.731 20 0 DFADHM Cc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000737411218 598797966 /nfs/dbraw/zinc/79/79/66/598797966.db2.gz WNPQNDJKZGCMRJ-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM CC(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735922972 598805599 /nfs/dbraw/zinc/80/55/99/598805599.db2.gz QIBKTOKMEKAYFL-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735922972 598805600 /nfs/dbraw/zinc/80/56/00/598805600.db2.gz QIBKTOKMEKAYFL-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM Cc1cc(N(C)C(C)C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737271167 598814920 /nfs/dbraw/zinc/81/49/20/598814920.db2.gz SLIXDYVUTLJTMS-UHFFFAOYSA-N -1 3 321.388 2.821 20 0 DFADHM Cc1cc(N(C)C(C)C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737271167 598814921 /nfs/dbraw/zinc/81/49/21/598814921.db2.gz SLIXDYVUTLJTMS-UHFFFAOYSA-N -1 3 321.388 2.821 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CSC[C@@H]1CCCCO1 ZINC000821749750 607367548 /nfs/dbraw/zinc/36/75/48/607367548.db2.gz WNERPRLSMYWKPF-ZDUSSCGKSA-N -1 3 320.418 2.678 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSC[C@@H]1CCCCO1 ZINC000821749750 607367550 /nfs/dbraw/zinc/36/75/50/607367550.db2.gz WNERPRLSMYWKPF-ZDUSSCGKSA-N -1 3 320.418 2.678 20 0 DFADHM CC[C@@H](Cc1ccccc1)N(C)c1ncccc1-c1nn[n-]n1 ZINC000736349267 599320549 /nfs/dbraw/zinc/32/05/49/599320549.db2.gz DXUOGFNVTVAQLH-AWEZNQCLSA-N -1 3 308.389 2.719 20 0 DFADHM CC[C@@H](Cc1ccccc1)N(C)c1ncccc1-c1nnn[n-]1 ZINC000736349267 599320547 /nfs/dbraw/zinc/32/05/47/599320547.db2.gz DXUOGFNVTVAQLH-AWEZNQCLSA-N -1 3 308.389 2.719 20 0 DFADHM Cc1cc(C)cc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737250037 599325768 /nfs/dbraw/zinc/32/57/68/599325768.db2.gz HEMFHHFGUCYIBK-UHFFFAOYSA-N -1 3 309.373 2.974 20 0 DFADHM Cc1cc(C)cc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737250037 599325770 /nfs/dbraw/zinc/32/57/70/599325770.db2.gz HEMFHHFGUCYIBK-UHFFFAOYSA-N -1 3 309.373 2.974 20 0 DFADHM Cc1ncc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000737492993 599326265 /nfs/dbraw/zinc/32/62/65/599326265.db2.gz WHWGRFLPPLEKOP-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ncc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000737492993 599326269 /nfs/dbraw/zinc/32/62/69/599326269.db2.gz WHWGRFLPPLEKOP-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)ccc1C ZINC000821732532 607369597 /nfs/dbraw/zinc/36/95/97/607369597.db2.gz PGYBJXJAXFAFQV-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)ccc1C ZINC000821732532 607369600 /nfs/dbraw/zinc/36/96/00/607369600.db2.gz PGYBJXJAXFAFQV-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM CCCCN(C)c1ccc(Br)cc1-c1nnn[n-]1 ZINC000736453945 599361212 /nfs/dbraw/zinc/36/12/12/599361212.db2.gz UTOLKDUYMFLEOS-UHFFFAOYSA-N -1 3 310.199 2.866 20 0 DFADHM CCCCN(C)c1ccc(Br)cc1-c1nn[n-]n1 ZINC000736453945 599361215 /nfs/dbraw/zinc/36/12/15/599361215.db2.gz UTOLKDUYMFLEOS-UHFFFAOYSA-N -1 3 310.199 2.866 20 0 DFADHM CC[C@H](C[C@@H](C)CO)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820882632 599360322 /nfs/dbraw/zinc/36/03/22/599360322.db2.gz WDVWVCRWTXCOOG-NXEZZACHSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@H](C[C@@H](C)CO)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820882632 599360325 /nfs/dbraw/zinc/36/03/25/599360325.db2.gz WDVWVCRWTXCOOG-NXEZZACHSA-N -1 3 309.801 2.729 20 0 DFADHM CSCCCC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000737182063 599369723 /nfs/dbraw/zinc/36/97/23/599369723.db2.gz PHRCBPDYHMOZRN-UHFFFAOYSA-N -1 3 311.436 2.627 20 0 DFADHM CSCCCC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000737182063 599369726 /nfs/dbraw/zinc/36/97/26/599369726.db2.gz PHRCBPDYHMOZRN-UHFFFAOYSA-N -1 3 311.436 2.627 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000736244033 599375596 /nfs/dbraw/zinc/37/55/96/599375596.db2.gz DBXTZSCPKOWGOS-GYSYKLTISA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000736244033 599375600 /nfs/dbraw/zinc/37/56/00/599375600.db2.gz DBXTZSCPKOWGOS-GYSYKLTISA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(Cl)cc1 ZINC000820433005 599390701 /nfs/dbraw/zinc/39/07/01/599390701.db2.gz VAZKCGJUHIZRNN-SECBINFHSA-N -1 3 303.753 2.964 20 0 DFADHM CC[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000736405253 599435845 /nfs/dbraw/zinc/43/58/45/599435845.db2.gz FDPUHQJWVDAKKB-KOLCDFICSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000736405253 599435847 /nfs/dbraw/zinc/43/58/47/599435847.db2.gz FDPUHQJWVDAKKB-KOLCDFICSA-N -1 3 307.785 2.524 20 0 DFADHM Fc1ccc(N[C@@H]2CCc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000822778548 599466203 /nfs/dbraw/zinc/46/62/03/599466203.db2.gz KUOXEKRULWJTEX-CQSZACIVSA-N -1 3 309.348 2.975 20 0 DFADHM Fc1ccc(N[C@@H]2CCc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000822778548 599466205 /nfs/dbraw/zinc/46/62/05/599466205.db2.gz KUOXEKRULWJTEX-CQSZACIVSA-N -1 3 309.348 2.975 20 0 DFADHM Fc1ccc(N[C@H]2CCOc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000822778957 599466261 /nfs/dbraw/zinc/46/62/61/599466261.db2.gz PLMICHPSDHOLFN-AWEZNQCLSA-N -1 3 311.320 2.942 20 0 DFADHM Fc1ccc(N[C@H]2CCOc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000822778957 599466263 /nfs/dbraw/zinc/46/62/63/599466263.db2.gz PLMICHPSDHOLFN-AWEZNQCLSA-N -1 3 311.320 2.942 20 0 DFADHM CC(C)[C@@H](C)CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820358861 599486005 /nfs/dbraw/zinc/48/60/05/599486005.db2.gz PSFKCGARESOQHH-RYUDHWBXSA-N -1 3 316.409 2.519 20 0 DFADHM CC(C)[C@@H](C)CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820358861 599486007 /nfs/dbraw/zinc/48/60/07/599486007.db2.gz PSFKCGARESOQHH-RYUDHWBXSA-N -1 3 316.409 2.519 20 0 DFADHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000820728796 599514090 /nfs/dbraw/zinc/51/40/90/599514090.db2.gz YHZZSRQFUMWVSH-MRVPVSSYSA-N -1 3 316.315 2.539 20 0 DFADHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC000820728796 599514092 /nfs/dbraw/zinc/51/40/92/599514092.db2.gz YHZZSRQFUMWVSH-MRVPVSSYSA-N -1 3 316.315 2.539 20 0 DFADHM COC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736968116 599522513 /nfs/dbraw/zinc/52/25/13/599522513.db2.gz DYJGGOKCCVWLHB-QMMMGPOBSA-N -1 3 315.299 2.580 20 0 DFADHM Cc1cc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)on1 ZINC000737265779 599522896 /nfs/dbraw/zinc/52/28/96/599522896.db2.gz ZKFHAQWJMHSIBY-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCC[C@@H]1C ZINC000822336083 599529281 /nfs/dbraw/zinc/52/92/81/599529281.db2.gz OAZQETPCZIRZII-HZMBPMFUSA-N -1 3 308.389 2.746 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCC[C@@H]1C ZINC000822336083 599529283 /nfs/dbraw/zinc/52/92/83/599529283.db2.gz OAZQETPCZIRZII-HZMBPMFUSA-N -1 3 308.389 2.746 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCCOC(C)(C)C ZINC000826251972 607382825 /nfs/dbraw/zinc/38/28/25/607382825.db2.gz IWVQWWGZJORVCX-UHFFFAOYSA-N -1 3 318.377 2.537 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCCOC(C)(C)C ZINC000826251972 607382826 /nfs/dbraw/zinc/38/28/26/607382826.db2.gz IWVQWWGZJORVCX-UHFFFAOYSA-N -1 3 318.377 2.537 20 0 DFADHM CCCCSCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821077391 599537254 /nfs/dbraw/zinc/53/72/54/599537254.db2.gz DCOZCOBRNJISQX-NSHDSACASA-N -1 3 319.434 2.577 20 0 DFADHM CCCCSCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821077391 599537258 /nfs/dbraw/zinc/53/72/58/599537258.db2.gz DCOZCOBRNJISQX-NSHDSACASA-N -1 3 319.434 2.577 20 0 DFADHM Cc1ncc(CCNc2c(Cl)cccc2-c2nnn[n-]2)s1 ZINC000822467636 607383815 /nfs/dbraw/zinc/38/38/15/607383815.db2.gz QMMIYKMCESIXJD-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1ncc(CCNc2c(Cl)cccc2-c2nn[n-]n2)s1 ZINC000822467636 607383817 /nfs/dbraw/zinc/38/38/17/607383817.db2.gz QMMIYKMCESIXJD-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM CC(C)(C)OC(=O)CCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819927929 599572835 /nfs/dbraw/zinc/57/28/35/599572835.db2.gz BKTLIKFPPVUCQR-UHFFFAOYSA-N -1 3 323.784 2.664 20 0 DFADHM CC(C)(C)OC(=O)CCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819927929 599572838 /nfs/dbraw/zinc/57/28/38/599572838.db2.gz BKTLIKFPPVUCQR-UHFFFAOYSA-N -1 3 323.784 2.664 20 0 DFADHM CC[C@H](C)OC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736328463 599605215 /nfs/dbraw/zinc/60/52/15/599605215.db2.gz XDROCVYPWMKTTJ-FZMZJTMJSA-N -1 3 318.377 2.612 20 0 DFADHM CC[C@H](C)OC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736328463 599605217 /nfs/dbraw/zinc/60/52/17/599605217.db2.gz XDROCVYPWMKTTJ-FZMZJTMJSA-N -1 3 318.377 2.612 20 0 DFADHM C[C@@H](OC(=O)[C@@H](C)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820479749 599622316 /nfs/dbraw/zinc/62/23/16/599622316.db2.gz BUGPTIIGRNNJPY-HTQZYQBOSA-N -1 3 314.267 2.669 20 0 DFADHM C[C@@H](OC(=O)[C@@H](C)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820479749 599622317 /nfs/dbraw/zinc/62/23/17/599622317.db2.gz BUGPTIIGRNNJPY-HTQZYQBOSA-N -1 3 314.267 2.669 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)OCc2ccccc2-c2nnn[n-]2)o1 ZINC000822227502 599621604 /nfs/dbraw/zinc/62/16/04/599621604.db2.gz LHJKGGXCKVRFQR-LLVKDONJSA-N -1 3 312.329 2.615 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)OCc2ccccc2-c2nn[n-]n2)o1 ZINC000822227502 599621605 /nfs/dbraw/zinc/62/16/05/599621605.db2.gz LHJKGGXCKVRFQR-LLVKDONJSA-N -1 3 312.329 2.615 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820690245 599624013 /nfs/dbraw/zinc/62/40/13/599624013.db2.gz ICUOHAVNKCLJHP-BXUZGUMPSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820690245 599624014 /nfs/dbraw/zinc/62/40/14/599624014.db2.gz ICUOHAVNKCLJHP-BXUZGUMPSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820690248 599624063 /nfs/dbraw/zinc/62/40/63/599624063.db2.gz ICUOHAVNKCLJHP-SMDDNHRTSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820690248 599624064 /nfs/dbraw/zinc/62/40/64/599624064.db2.gz ICUOHAVNKCLJHP-SMDDNHRTSA-N -1 3 300.362 2.736 20 0 DFADHM CCC(C)(C)CCOC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820847366 599627776 /nfs/dbraw/zinc/62/77/76/599627776.db2.gz BXSHCFRJVHAXRG-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM Cc1cccc(C)c1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822294235 599629884 /nfs/dbraw/zinc/62/98/84/599629884.db2.gz WNTNOEHCAQWVHV-UHFFFAOYSA-N -1 3 321.384 2.756 20 0 DFADHM Cc1cccc(C)c1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822294235 599629885 /nfs/dbraw/zinc/62/98/85/599629885.db2.gz WNTNOEHCAQWVHV-UHFFFAOYSA-N -1 3 321.384 2.756 20 0 DFADHM CCCCC[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000821050267 599631178 /nfs/dbraw/zinc/63/11/78/599631178.db2.gz QDBLMJDWQAKHJC-LLVKDONJSA-N -1 3 302.382 2.807 20 0 DFADHM CCCCC[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000821050267 599631179 /nfs/dbraw/zinc/63/11/79/599631179.db2.gz QDBLMJDWQAKHJC-LLVKDONJSA-N -1 3 302.382 2.807 20 0 DFADHM CCC(C)(C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820847344 599649407 /nfs/dbraw/zinc/64/94/07/599649407.db2.gz BEEDLQJUFJIQOY-UHFFFAOYSA-N -1 3 303.366 2.640 20 0 DFADHM CCC(C)(C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820847344 599649408 /nfs/dbraw/zinc/64/94/08/599649408.db2.gz BEEDLQJUFJIQOY-UHFFFAOYSA-N -1 3 303.366 2.640 20 0 DFADHM C[C@@H](NC(=O)N(C)C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339490 599679901 /nfs/dbraw/zinc/67/99/01/599679901.db2.gz CXVATQITNDIGPB-LLVKDONJSA-N -1 3 314.393 2.512 20 0 DFADHM C[C@@H](NC(=O)N(C)C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339490 599679902 /nfs/dbraw/zinc/67/99/02/599679902.db2.gz CXVATQITNDIGPB-LLVKDONJSA-N -1 3 314.393 2.512 20 0 DFADHM CC(C)C[C@@H](CCO)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820055665 599686423 /nfs/dbraw/zinc/68/64/23/599686423.db2.gz JLQINEWXELHMGD-LLVKDONJSA-N -1 3 323.828 2.977 20 0 DFADHM CC(C)C[C@@H](CCO)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820055665 599686424 /nfs/dbraw/zinc/68/64/24/599686424.db2.gz JLQINEWXELHMGD-LLVKDONJSA-N -1 3 323.828 2.977 20 0 DFADHM CO[C@]1(C)C[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000821677864 599688337 /nfs/dbraw/zinc/68/83/37/599688337.db2.gz FUXBGGZHGATVKJ-SWLSCSKDSA-N -1 3 305.357 2.621 20 0 DFADHM CO[C@@]1(C)C[C@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)C1(C)C ZINC000821679230 599688542 /nfs/dbraw/zinc/68/85/42/599688542.db2.gz YSNRBLQWGHTOAB-NHYWBVRUSA-N -1 3 323.347 2.760 20 0 DFADHM CO[C@@]1(C)C[C@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000821679230 599688543 /nfs/dbraw/zinc/68/85/43/599688543.db2.gz YSNRBLQWGHTOAB-NHYWBVRUSA-N -1 3 323.347 2.760 20 0 DFADHM CCN1CCC[C@@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000737114386 599719026 /nfs/dbraw/zinc/71/90/26/599719026.db2.gz IWBPGIGZWCLTGV-LLVKDONJSA-N -1 3 324.356 2.521 20 0 DFADHM CC(C)[C@@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)N1CCCCC1 ZINC000736349436 599728413 /nfs/dbraw/zinc/72/84/13/599728413.db2.gz KMFDRFKNHOUNJI-KRWDZBQOSA-N -1 3 318.417 2.763 20 0 DFADHM Cc1[nH]c(C(=O)CN2CCC[C@@H]2C2CCC2)c(C)c1C(=O)[O-] ZINC000738154901 599874588 /nfs/dbraw/zinc/87/45/88/599874588.db2.gz WHHJTEDKSSFHFI-CYBMUJFWSA-N -1 3 304.390 2.777 20 0 DFADHM Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000826288792 607403337 /nfs/dbraw/zinc/40/33/37/607403337.db2.gz XAPMRWOEOMWCGR-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000826288792 607403339 /nfs/dbraw/zinc/40/33/39/607403339.db2.gz XAPMRWOEOMWCGR-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM COc1cccc(-c2nc(CNC(C)(C)C(=O)[O-])cs2)c1 ZINC000738079300 599926884 /nfs/dbraw/zinc/92/68/84/599926884.db2.gz LWBIGWDFABKFBX-UHFFFAOYSA-N -1 3 306.387 2.772 20 0 DFADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C1CCCCC1 ZINC000826428364 607417026 /nfs/dbraw/zinc/41/70/26/607417026.db2.gz ZUVDHTCKEZFOEP-UHFFFAOYSA-N -1 3 311.389 2.552 20 0 DFADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C1CCCCC1 ZINC000826428364 607417027 /nfs/dbraw/zinc/41/70/27/607417027.db2.gz ZUVDHTCKEZFOEP-UHFFFAOYSA-N -1 3 311.389 2.552 20 0 DFADHM CC=C(C=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)CC ZINC000825028964 607423806 /nfs/dbraw/zinc/42/38/06/607423806.db2.gz LGBLVXUZJGSSQG-HLQKFELGSA-N -1 3 323.400 2.885 20 0 DFADHM CC=C(C=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)CC ZINC000825028964 607423808 /nfs/dbraw/zinc/42/38/08/607423808.db2.gz LGBLVXUZJGSSQG-HLQKFELGSA-N -1 3 323.400 2.885 20 0 DFADHM CCCN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821087526 607426424 /nfs/dbraw/zinc/42/64/24/607426424.db2.gz CKAIPZATSVSJGH-UHFFFAOYSA-N -1 3 318.381 2.528 20 0 DFADHM CCCN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821087526 607426425 /nfs/dbraw/zinc/42/64/25/607426425.db2.gz CKAIPZATSVSJGH-UHFFFAOYSA-N -1 3 318.381 2.528 20 0 DFADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@@H](C)C(C)C ZINC000825379976 607431554 /nfs/dbraw/zinc/43/15/54/607431554.db2.gz NDDOJQGWZSJRQO-LBPRGKRZSA-N -1 3 301.394 2.682 20 0 DFADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@@H](C)C(C)C ZINC000825379976 607431555 /nfs/dbraw/zinc/43/15/55/607431555.db2.gz NDDOJQGWZSJRQO-LBPRGKRZSA-N -1 3 301.394 2.682 20 0 DFADHM CCCN(CCCC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1 ZINC000121457077 600318050 /nfs/dbraw/zinc/31/80/50/600318050.db2.gz ZYPKBQKNFBLIMT-UHFFFAOYSA-N -1 3 312.797 2.855 20 0 DFADHM CC(C)[C@@H]1CCCCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736395524 600319558 /nfs/dbraw/zinc/31/95/58/600319558.db2.gz OJMHQLOWDANRDX-HNNXBMFYSA-N -1 3 304.390 2.834 20 0 DFADHM C[C@H](CN(Cc1ccc(Br)cn1)C1CC1)C(=O)[O-] ZINC000736583158 600467061 /nfs/dbraw/zinc/46/70/61/600467061.db2.gz LARBWULERDGDNJ-SECBINFHSA-N -1 3 313.195 2.529 20 0 DFADHM COc1ccccc1-c1nc(CNC(C)(C)C(=O)[O-])cs1 ZINC000738114209 600711845 /nfs/dbraw/zinc/71/18/45/600711845.db2.gz SJFUTULDTZODHT-UHFFFAOYSA-N -1 3 306.387 2.772 20 0 DFADHM CN(CC1CCCC1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830713987 600821150 /nfs/dbraw/zinc/82/11/50/600821150.db2.gz LXTOTXFIXUSCBU-CYBMUJFWSA-N -1 3 322.430 2.674 20 0 DFADHM CN(C(=O)CN1CCC[C@H]2CCC[C@@H]21)c1ccccc1C(=O)[O-] ZINC000830485407 600833454 /nfs/dbraw/zinc/83/34/54/600833454.db2.gz FLIQQIVRSJPFPM-HIFRSBDPSA-N -1 3 316.401 2.612 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(CN(C)C)c1 ZINC000832941749 600839212 /nfs/dbraw/zinc/83/92/12/600839212.db2.gz MMHVWHZIQDMSPZ-KGLIPLIRSA-N -1 3 318.417 2.886 20 0 DFADHM C[C@@H]1CCCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)[C@H]1C ZINC000736795285 600968473 /nfs/dbraw/zinc/96/84/73/600968473.db2.gz UTPAQROTSWZFAV-OLZOCXBDSA-N -1 3 319.405 2.513 20 0 DFADHM C[C@H]1CCC[C@H](C)N(CC(=O)N(C)c2ccccc2C(=O)[O-])C1 ZINC000736773179 600978410 /nfs/dbraw/zinc/97/84/10/600978410.db2.gz AZQIZDQTKSABQF-KBPBESRZSA-N -1 3 318.417 2.858 20 0 DFADHM C[C@](NCc1coc(-c2ccc(F)cc2)n1)(C(=O)[O-])C1CC1 ZINC000827741101 601039025 /nfs/dbraw/zinc/03/90/25/601039025.db2.gz IIMHNXMAYKOHBF-MRXNPFEDSA-N -1 3 304.321 2.824 20 0 DFADHM Cc1cnc([C@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822389293 607486071 /nfs/dbraw/zinc/48/60/71/607486071.db2.gz REGZGJYBNCKFSM-VIFPVBQESA-N -1 3 318.381 2.622 20 0 DFADHM Cc1cnc([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822389293 607486072 /nfs/dbraw/zinc/48/60/72/607486072.db2.gz REGZGJYBNCKFSM-VIFPVBQESA-N -1 3 318.381 2.622 20 0 DFADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)Cn1cc(C(=O)[O-])nn1 ZINC000736904372 601092576 /nfs/dbraw/zinc/09/25/76/601092576.db2.gz UDTYKSKFFVGSNV-HNNXBMFYSA-N -1 3 316.405 2.585 20 0 DFADHM CC(C)N(Cc1nccs1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824293319 607489852 /nfs/dbraw/zinc/48/98/52/607489852.db2.gz JSSWYMZIAVPADU-UHFFFAOYSA-N -1 3 314.418 2.734 20 0 DFADHM CC(C)N(Cc1nccs1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824293319 607489854 /nfs/dbraw/zinc/48/98/54/607489854.db2.gz JSSWYMZIAVPADU-UHFFFAOYSA-N -1 3 314.418 2.734 20 0 DFADHM COc1cc(CN(C)C/C=C(/C)C(=O)[O-])ccc1OC(F)F ZINC000831989641 601154016 /nfs/dbraw/zinc/15/40/16/601154016.db2.gz ICVAWSFEBSPLPQ-POHAHGRESA-N -1 3 315.316 2.759 20 0 DFADHM COc1cccc(CN(C/C=C(\C)C(=O)[O-])C[C@H]2CCCO2)c1 ZINC000832549027 601159454 /nfs/dbraw/zinc/15/94/54/601159454.db2.gz GRFPWLMKTVPBKM-LEHPZIBWSA-N -1 3 319.401 2.707 20 0 DFADHM CSc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cn1 ZINC000821983063 607492716 /nfs/dbraw/zinc/49/27/16/607492716.db2.gz CZIOMDZDRPLFFE-UHFFFAOYSA-N -1 3 304.404 2.657 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1C[C@H]2CCCCN2C[C@H]1CC ZINC000830363349 601323630 /nfs/dbraw/zinc/32/36/30/601323630.db2.gz SIBKSLDSLNDFAZ-HUUCEWRRSA-N -1 3 320.433 2.989 20 0 DFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000827928514 601386677 /nfs/dbraw/zinc/38/66/77/601386677.db2.gz IACGQANSOQDVTH-QWRGUYRKSA-N -1 3 309.362 2.702 20 0 DFADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000832935545 601524659 /nfs/dbraw/zinc/52/46/59/601524659.db2.gz RQXNVLBUZVGESM-GVXVVHGQSA-N -1 3 324.808 2.628 20 0 DFADHM Cc1ccc(-c2cnc(CN3C[C@H](C)[C@H](C(=O)[O-])C3)o2)cc1 ZINC000832907433 601531544 /nfs/dbraw/zinc/53/15/44/601531544.db2.gz WZFAZZOLDNWWCK-GXTWGEPZSA-N -1 3 300.358 2.803 20 0 DFADHM Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000832886085 601541884 /nfs/dbraw/zinc/54/18/84/601541884.db2.gz GSMJFXROIUVWMB-MDZLAQPJSA-N -1 3 324.808 2.628 20 0 DFADHM Cn1cc([C@@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)cn1 ZINC000833042881 601625802 /nfs/dbraw/zinc/62/58/02/601625802.db2.gz CZILLCDIEFRUGC-CYBMUJFWSA-N -1 3 317.364 2.637 20 0 DFADHM O=C([O-])CCC1CCN(Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000833226053 601798702 /nfs/dbraw/zinc/79/87/02/601798702.db2.gz ZYFVUQBZZWRUDR-UHFFFAOYSA-N -1 3 323.343 2.849 20 0 DFADHM CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1c[nH]c(C(=O)[O-])c1 ZINC000826529493 601833055 /nfs/dbraw/zinc/83/30/55/601833055.db2.gz LEPNIHIANZGZHU-ZDUSSCGKSA-N -1 3 316.405 2.832 20 0 DFADHM C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(CCC(=O)[O-])CC1 ZINC000825977653 601842127 /nfs/dbraw/zinc/84/21/27/601842127.db2.gz LSGVBMHVTMODRJ-QLFBSQMISA-N -1 3 324.465 2.741 20 0 DFADHM c1ccc(-c2nnn[n-]2)c(CN2CCCOc3ccccc32)c1 ZINC000826519954 607530159 /nfs/dbraw/zinc/53/01/59/607530159.db2.gz VRFILKIJDIICIY-UHFFFAOYSA-N -1 3 307.357 2.656 20 0 DFADHM c1ccc(-c2nn[n-]n2)c(CN2CCCOc3ccccc32)c1 ZINC000826519954 607530161 /nfs/dbraw/zinc/53/01/61/607530161.db2.gz VRFILKIJDIICIY-UHFFFAOYSA-N -1 3 307.357 2.656 20 0 DFADHM C[C@H](c1nnc(-c2ccccc2)o1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000827965576 601931385 /nfs/dbraw/zinc/93/13/85/601931385.db2.gz DPFFGFKETPONIU-BDJLRTHQSA-N -1 3 301.346 2.594 20 0 DFADHM C[C@@H](c1nnc(-c2ccccc2)o1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000827965578 601931740 /nfs/dbraw/zinc/93/17/40/601931740.db2.gz DPFFGFKETPONIU-MEDUHNTESA-N -1 3 301.346 2.594 20 0 DFADHM Fc1ccc(CSCc2nccs2)c(-c2nnn[n-]2)c1 ZINC000826374500 607534849 /nfs/dbraw/zinc/53/48/49/607534849.db2.gz BEYGSMRWABEKEN-UHFFFAOYSA-N -1 3 307.379 2.896 20 0 DFADHM Fc1ccc(CSCc2nccs2)c(-c2nn[n-]n2)c1 ZINC000826374500 607534851 /nfs/dbraw/zinc/53/48/51/607534851.db2.gz BEYGSMRWABEKEN-UHFFFAOYSA-N -1 3 307.379 2.896 20 0 DFADHM CCC[C@@](C)(NCc1cn(-c2ccc(Cl)cc2)nn1)C(=O)[O-] ZINC000829201674 601955453 /nfs/dbraw/zinc/95/54/53/601955453.db2.gz CIEVUPRZAWYGEC-OAHLLOKOSA-N -1 3 322.796 2.654 20 0 DFADHM O=C(NCCC1=CCCC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826436203 607804354 /nfs/dbraw/zinc/80/43/54/607804354.db2.gz LRESXZLLKYVRNR-UHFFFAOYSA-N -1 3 316.340 2.628 20 0 DFADHM O=C(NCCC1=CCCC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826436203 607804355 /nfs/dbraw/zinc/80/43/55/607804355.db2.gz LRESXZLLKYVRNR-UHFFFAOYSA-N -1 3 316.340 2.628 20 0 DFADHM COc1ccc(COc2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000826207577 607545910 /nfs/dbraw/zinc/54/59/10/607545910.db2.gz TZCWZSFGALWJCX-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(COc2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000826207577 607545912 /nfs/dbraw/zinc/54/59/12/607545912.db2.gz TZCWZSFGALWJCX-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(CN(C)C)c1 ZINC000739297022 602123127 /nfs/dbraw/zinc/12/31/27/602123127.db2.gz RAYFZVJTTJQPCE-MRXNPFEDSA-N -1 3 307.394 2.513 20 0 DFADHM CC(C)Oc1ccc(NCc2nccs2)cc1-c1nnn[n-]1 ZINC000824333265 607551282 /nfs/dbraw/zinc/55/12/82/607551282.db2.gz HJKBUCADDQGCEB-UHFFFAOYSA-N -1 3 316.390 2.723 20 0 DFADHM CC(C)Oc1ccc(NCc2nccs2)cc1-c1nn[n-]n1 ZINC000824333265 607551284 /nfs/dbraw/zinc/55/12/84/607551284.db2.gz HJKBUCADDQGCEB-UHFFFAOYSA-N -1 3 316.390 2.723 20 0 DFADHM Cc1ccc(-c2nnc([C@@H](C)N3CC[C@@H](C(=O)[O-])C3)o2)cc1C ZINC000818858708 602235034 /nfs/dbraw/zinc/23/50/34/602235034.db2.gz AVLCBDHXEMVAML-TZMCWYRMSA-N -1 3 315.373 2.821 20 0 DFADHM Cc1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)oc1C(=O)[O-] ZINC000832882347 602250271 /nfs/dbraw/zinc/25/02/71/602250271.db2.gz FGOOTAMIVRCXSA-TZMCWYRMSA-N -1 3 319.357 2.967 20 0 DFADHM CN(C(=O)[O-])C1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000737936782 602531377 /nfs/dbraw/zinc/53/13/77/602531377.db2.gz ARHXXTPSRFTRTM-UHFFFAOYSA-N -1 3 317.364 2.948 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](CC)SC)s1 ZINC000825693760 607578371 /nfs/dbraw/zinc/57/83/71/607578371.db2.gz DFDZOBJZHJBBOI-VIFPVBQESA-N -1 3 311.436 2.571 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](CC)SC)s1 ZINC000825693760 607578372 /nfs/dbraw/zinc/57/83/72/607578372.db2.gz DFDZOBJZHJBBOI-VIFPVBQESA-N -1 3 311.436 2.571 20 0 DFADHM CCn1cncc1[C@H]1CCCCN1C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739570939 602704823 /nfs/dbraw/zinc/70/48/23/602704823.db2.gz VOAVEMJNVFWHAN-HUUCEWRRSA-N -1 3 320.437 2.820 20 0 DFADHM CN(CCNCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC000739697787 602790202 /nfs/dbraw/zinc/79/02/02/602790202.db2.gz BGABHLCKQXEEJR-UHFFFAOYSA-N -1 3 310.300 2.924 20 0 DFADHM CC1=C(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)CCC1 ZINC000824851988 607614374 /nfs/dbraw/zinc/61/43/74/607614374.db2.gz HEYIBTXFSHRDMM-UHFFFAOYSA-N -1 3 323.356 2.663 20 0 DFADHM CC1=C(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)CCC1 ZINC000824851988 607614375 /nfs/dbraw/zinc/61/43/75/607614375.db2.gz HEYIBTXFSHRDMM-UHFFFAOYSA-N -1 3 323.356 2.663 20 0 DFADHM CN(C)Cc1ccccc1NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739615099 603238378 /nfs/dbraw/zinc/23/83/78/603238378.db2.gz MKPIAIGSQZYMCT-GXTWGEPZSA-N -1 3 319.405 2.513 20 0 DFADHM CCN(CC1CCN(Cc2sc(C)nc2C)CC1)C(=O)[O-] ZINC000827099850 603511061 /nfs/dbraw/zinc/51/10/61/603511061.db2.gz REEQCYNYBFTVEC-UHFFFAOYSA-N -1 3 311.451 2.972 20 0 DFADHM CCOCc1ccccc1CNCc1ccc(NC(=O)[O-])nc1 ZINC000827407962 603535949 /nfs/dbraw/zinc/53/59/49/603535949.db2.gz CZSHPOLRJVIQKA-UHFFFAOYSA-N -1 3 315.373 2.998 20 0 DFADHM O=C([O-])NCCNCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000832658582 603575533 /nfs/dbraw/zinc/57/55/33/603575533.db2.gz RSKHJOCRQDVEQR-UHFFFAOYSA-N -1 3 317.172 2.626 20 0 DFADHM CC1(C)C[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824790348 607821261 /nfs/dbraw/zinc/82/12/61/607821261.db2.gz MEBKQTJMDGJNSM-JTQLQIEISA-N -1 3 307.785 2.890 20 0 DFADHM CC1(C)C[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824790348 607821262 /nfs/dbraw/zinc/82/12/62/607821262.db2.gz MEBKQTJMDGJNSM-JTQLQIEISA-N -1 3 307.785 2.890 20 0 DFADHM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)o1 ZINC000826283762 607664592 /nfs/dbraw/zinc/66/45/92/607664592.db2.gz ZYCHUJHJUBXAPC-LLVKDONJSA-N -1 3 311.345 2.568 20 0 DFADHM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)o1 ZINC000826283762 607664594 /nfs/dbraw/zinc/66/45/94/607664594.db2.gz ZYCHUJHJUBXAPC-LLVKDONJSA-N -1 3 311.345 2.568 20 0 DFADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000830307862 604083928 /nfs/dbraw/zinc/08/39/28/604083928.db2.gz FYLBIPDMDATXSA-OAHLLOKOSA-N -1 3 319.405 2.528 20 0 DFADHM CN(C[C@@H]1CCCN1Cc1cccc(OC(F)F)c1)C(=O)[O-] ZINC000828229999 604099415 /nfs/dbraw/zinc/09/94/15/604099415.db2.gz KONGJWRKCHULJP-LBPRGKRZSA-N -1 3 314.332 2.862 20 0 DFADHM O=C([O-])NCCCOC1CCN(C/C=C/c2ccccc2)CC1 ZINC000832633739 604103144 /nfs/dbraw/zinc/10/31/44/604103144.db2.gz VYFRWAXRPLKUAP-XBXARRHUSA-N -1 3 318.417 2.839 20 0 DFADHM O=C1Nc2ccc(F)cc2C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826483442 607682057 /nfs/dbraw/zinc/68/20/57/607682057.db2.gz NRVZZCZNSGNWIT-VZUCSPMQSA-N -1 3 313.317 2.560 20 0 DFADHM O=C1Nc2ccc(F)cc2C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826483442 607682058 /nfs/dbraw/zinc/68/20/58/607682058.db2.gz NRVZZCZNSGNWIT-VZUCSPMQSA-N -1 3 313.317 2.560 20 0 DFADHM Clc1ccccc1-c1noc(-c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC000826353546 607684970 /nfs/dbraw/zinc/68/49/70/607684970.db2.gz UOSVZJCTJADVBX-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM Clc1ccccc1-c1noc(-c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC000826353546 607684972 /nfs/dbraw/zinc/68/49/72/607684972.db2.gz UOSVZJCTJADVBX-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM Cc1nc2ccccn2c1CN1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000830793249 604322237 /nfs/dbraw/zinc/32/22/37/604322237.db2.gz OIKXUAFAQCXBHF-JSGCOSHPSA-N -1 3 316.405 2.511 20 0 DFADHM Cc1nc2ccccn2c1CN1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000830793248 604322602 /nfs/dbraw/zinc/32/26/02/604322602.db2.gz OIKXUAFAQCXBHF-GXTWGEPZSA-N -1 3 316.405 2.511 20 0 DFADHM COc1cccc2c1CC[C@H]2NCc1ccc(NC(=O)[O-])nc1 ZINC000829579687 604378051 /nfs/dbraw/zinc/37/80/51/604378051.db2.gz CSLGCJUFJUQGCE-CQSZACIVSA-N -1 3 313.357 2.957 20 0 DFADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc2ccccc2c1 ZINC000825825905 607689961 /nfs/dbraw/zinc/68/99/61/607689961.db2.gz NMKLREBIONOHQS-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc2ccccc2c1 ZINC000825825905 607689963 /nfs/dbraw/zinc/68/99/63/607689963.db2.gz NMKLREBIONOHQS-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM O=C([O-])[C@@H](NCc1ccc2c(c1)COC2)c1ccc(F)cc1 ZINC000833170011 604401333 /nfs/dbraw/zinc/40/13/33/604401333.db2.gz NGRWDRVCVDOJAR-INIZCTEOSA-N -1 3 301.317 2.771 20 0 DFADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824077482 607691602 /nfs/dbraw/zinc/69/16/02/607691602.db2.gz BOPSUDSKLGMSNT-MNOVXSKESA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824077482 607691603 /nfs/dbraw/zinc/69/16/03/607691603.db2.gz BOPSUDSKLGMSNT-MNOVXSKESA-N -1 3 316.409 2.530 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000826247107 607692459 /nfs/dbraw/zinc/69/24/59/607692459.db2.gz UAWVCHTZHQDVLL-QWRGUYRKSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000826247107 607692461 /nfs/dbraw/zinc/69/24/61/607692461.db2.gz UAWVCHTZHQDVLL-QWRGUYRKSA-N -1 3 313.405 2.730 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000833678910 604473105 /nfs/dbraw/zinc/47/31/05/604473105.db2.gz RFBGKELNQKHYAJ-OCCSQVGLSA-N -1 3 317.389 2.820 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000826246442 607694676 /nfs/dbraw/zinc/69/46/76/607694676.db2.gz DETGVVDGPIECJX-YABSGUDNSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000826246442 607694677 /nfs/dbraw/zinc/69/46/77/607694677.db2.gz DETGVVDGPIECJX-YABSGUDNSA-N -1 3 313.405 2.730 20 0 DFADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000825825654 607704023 /nfs/dbraw/zinc/70/40/23/607704023.db2.gz HBBURMMDQZAKBA-UHFFFAOYSA-N -1 3 324.388 2.769 20 0 DFADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000825825654 607704024 /nfs/dbraw/zinc/70/40/24/607704024.db2.gz HBBURMMDQZAKBA-UHFFFAOYSA-N -1 3 324.388 2.769 20 0 DFADHM CC1(C)Cc2cc(CN3CCSC[C@@H]3CC(=O)[O-])ccc2O1 ZINC000833561169 604660689 /nfs/dbraw/zinc/66/06/89/604660689.db2.gz QWDWAMPAFMQBFF-AWEZNQCLSA-N -1 3 321.442 2.792 20 0 DFADHM c1oc(C2CC2)nc1CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826513615 607706719 /nfs/dbraw/zinc/70/67/19/607706719.db2.gz QKNXNLHIMRTIEK-UHFFFAOYSA-N -1 3 322.372 2.511 20 0 DFADHM c1oc(C2CC2)nc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826513615 607706720 /nfs/dbraw/zinc/70/67/20/607706720.db2.gz QKNXNLHIMRTIEK-UHFFFAOYSA-N -1 3 322.372 2.511 20 0 DFADHM COc1cc(F)cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000833729612 604686502 /nfs/dbraw/zinc/68/65/02/604686502.db2.gz QZHMVAAMFFQAGM-HNNXBMFYSA-N -1 3 307.296 2.889 20 0 DFADHM COc1ccccc1[C@H](CN[C@@H](C)c1ccoc1)NC(=O)[O-] ZINC000829596866 604759239 /nfs/dbraw/zinc/75/92/39/604759239.db2.gz CEVKCUYLSMOUNA-FZMZJTMJSA-N -1 3 304.346 2.948 20 0 DFADHM CCn1cc(CN(CCCC(=O)[O-])Cc2ccccc2)cn1 ZINC000833682465 604771506 /nfs/dbraw/zinc/77/15/06/604771506.db2.gz NPMHWAONFYBPJY-UHFFFAOYSA-N -1 3 301.390 2.770 20 0 DFADHM C[C@@]1(NCc2nc(-c3ccccc3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833570905 604815836 /nfs/dbraw/zinc/81/58/36/604815836.db2.gz VJPVYCXLLDPLQM-CXAGYDPISA-N -1 3 315.373 2.860 20 0 DFADHM CCN(CCN[C@H](C)c1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000827150387 604955734 /nfs/dbraw/zinc/95/57/34/604955734.db2.gz FFZFGGHLVHLWSX-CYBMUJFWSA-N -1 3 302.378 2.523 20 0 DFADHM CCCOCc1ccccc1CN[C@H](C(=O)[O-])c1cccnc1 ZINC000829523381 604994374 /nfs/dbraw/zinc/99/43/74/604994374.db2.gz VHNVUMHDUUOLLQ-KRWDZBQOSA-N -1 3 314.385 2.924 20 0 DFADHM CCCOCc1ccccc1CN[C@@H](C(=O)[O-])c1cccnc1 ZINC000829523383 604994500 /nfs/dbraw/zinc/99/45/00/604994500.db2.gz VHNVUMHDUUOLLQ-QGZVFWFLSA-N -1 3 314.385 2.924 20 0 DFADHM O=C([O-])[C@H](NCc1ccc(Br)cc1)c1cccnc1 ZINC000833165146 605000906 /nfs/dbraw/zinc/00/09/06/605000906.db2.gz FYYLVQRUYFVOLE-CYBMUJFWSA-N -1 3 321.174 2.760 20 0 DFADHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccc(-n2cccn2)c1 ZINC000827717168 605005609 /nfs/dbraw/zinc/00/56/09/605005609.db2.gz DQIYGPFCWGEIAA-DYVFJYSZSA-N -1 3 322.368 2.744 20 0 DFADHM CN(c1nc(CN[C@]2(C)CCCC[C@H]2C(=O)[O-])cs1)C1CC1 ZINC000833697853 605065652 /nfs/dbraw/zinc/06/56/52/605065652.db2.gz LZLZCBFXIPCXMM-XJKSGUPXSA-N -1 3 323.462 2.865 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000833640158 605071041 /nfs/dbraw/zinc/07/10/41/605071041.db2.gz UUAVZCWAVQOKSE-KHIZAZIESA-N -1 3 320.433 2.570 20 0 DFADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824391683 607732806 /nfs/dbraw/zinc/73/28/06/607732806.db2.gz JJYZPQLIVWTQAG-GXFFZTMASA-N -1 3 315.402 2.852 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1cc(C)cc(C)c1)C(=O)[O-] ZINC000833639391 605136174 /nfs/dbraw/zinc/13/61/74/605136174.db2.gz OFTLEOQMFWWAED-VBQJREDUSA-N -1 3 320.433 2.570 20 0 DFADHM CC[C@H](C)[C@@H](NC(=O)CN[C@@](C)(CC)c1ccccc1)C(=O)[O-] ZINC000833638861 605136339 /nfs/dbraw/zinc/13/63/39/605136339.db2.gz KSRVNBZCMNHPNX-XCRHUMRWSA-N -1 3 320.433 2.517 20 0 DFADHM CC[C@@H](NCCc1ccc(NC(=O)[O-])cc1)c1nccn1C ZINC000833644263 605138365 /nfs/dbraw/zinc/13/83/65/605138365.db2.gz NFYHYJUCVNJLJJ-CQSZACIVSA-N -1 3 302.378 2.793 20 0 DFADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824213394 607737188 /nfs/dbraw/zinc/73/71/88/607737188.db2.gz ANKMUMMCUAAQIO-OAHLLOKOSA-N -1 3 324.388 2.664 20 0 DFADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824213394 607737189 /nfs/dbraw/zinc/73/71/89/607737189.db2.gz ANKMUMMCUAAQIO-OAHLLOKOSA-N -1 3 324.388 2.664 20 0 DFADHM CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824243525 607741920 /nfs/dbraw/zinc/74/19/20/607741920.db2.gz IKBUSDXFMYHOHB-GFCCVEGCSA-N -1 3 316.409 2.626 20 0 DFADHM CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824243525 607741921 /nfs/dbraw/zinc/74/19/21/607741921.db2.gz IKBUSDXFMYHOHB-GFCCVEGCSA-N -1 3 316.409 2.626 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC1(C)C ZINC000825333253 607742774 /nfs/dbraw/zinc/74/27/74/607742774.db2.gz UEQDPAVYNJKWNZ-NSHDSACASA-N -1 3 314.393 2.673 20 0 DFADHM C/C(=C/CN[C@@H](CC(=O)OC(C)C)c1ccccc1)C(=O)[O-] ZINC000833385816 605268850 /nfs/dbraw/zinc/26/88/50/605268850.db2.gz UOJUDONOZGPHKT-CTXBLAANSA-N -1 3 305.374 2.690 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2CCCO[C@@H](c3ccccc3)C2)O1 ZINC000833576916 605331259 /nfs/dbraw/zinc/33/12/59/605331259.db2.gz BGJURFWWOVPJAN-NVXWUHKLSA-N -1 3 317.385 2.598 20 0 DFADHM O=C([O-])Nc1cccc(CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000834269720 605331942 /nfs/dbraw/zinc/33/19/42/605331942.db2.gz OKJDBGBXGKPOFI-GOSISDBHSA-N -1 3 312.369 2.700 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2CCS[C@@H](c3ccccc3)C2)O1 ZINC000833581459 605342609 /nfs/dbraw/zinc/34/26/09/605342609.db2.gz WAAXDLBKMYBORJ-GDBMZVCRSA-N -1 3 319.426 2.924 20 0 DFADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CCC(=O)c2ccccc2)C1 ZINC000833811391 605345678 /nfs/dbraw/zinc/34/56/78/605345678.db2.gz BTWFVGPWAZVHMP-DZGCQCFKSA-N -1 3 304.390 2.628 20 0 DFADHM C[C@]1(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)CCOC1 ZINC000833566230 605357570 /nfs/dbraw/zinc/35/75/70/605357570.db2.gz SOTHYJTVHVWZKZ-GXTWGEPZSA-N -1 3 301.745 2.621 20 0 DFADHM O=C([O-])N1CCCN(Cc2cccc(-c3cccnc3)c2)CC1 ZINC000834110297 605477586 /nfs/dbraw/zinc/47/75/86/605477586.db2.gz PUBXUBSJPPADLO-UHFFFAOYSA-N -1 3 311.385 2.934 20 0 DFADHM O=C([O-])N1CCC[C@H]1C1CCN(Cc2cccc(O)c2)CC1 ZINC000834106909 605496153 /nfs/dbraw/zinc/49/61/53/605496153.db2.gz LCBUZAQRYPLKBT-INIZCTEOSA-N -1 3 304.390 2.747 20 0 DFADHM Cc1ccn2cc(CN[C@H](C)C[C@@H]3CCCN3C(=O)[O-])nc2c1 ZINC000830607323 605498026 /nfs/dbraw/zinc/49/80/26/605498026.db2.gz PEVSIDDERGMTGU-HIFRSBDPSA-N -1 3 316.405 2.653 20 0 DFADHM CC(C)Cn1ccnc1CN[C@H](C)C[C@H]1CCCN1C(=O)[O-] ZINC000824318991 605504772 /nfs/dbraw/zinc/50/47/72/605504772.db2.gz ZDKWNOVHEXIUOX-ZIAGYGMSSA-N -1 3 308.426 2.550 20 0 DFADHM Cc1c(NC(=O)N[C@@H](C)CC(C)C)cccc1-c1nnn[n-]1 ZINC000826242067 607764867 /nfs/dbraw/zinc/76/48/67/607764867.db2.gz YIRDEMHGZZTGGF-JTQLQIEISA-N -1 3 302.382 2.731 20 0 DFADHM Cc1c(NC(=O)N[C@@H](C)CC(C)C)cccc1-c1nn[n-]n1 ZINC000826242067 607764868 /nfs/dbraw/zinc/76/48/68/607764868.db2.gz YIRDEMHGZZTGGF-JTQLQIEISA-N -1 3 302.382 2.731 20 0 DFADHM Cc1cccn2c(CN3CCC[C@@H]([C@@H](C)NC(=O)[O-])C3)cnc12 ZINC000833909889 605602630 /nfs/dbraw/zinc/60/26/30/605602630.db2.gz SJUQCHXVEORGAP-ZIAGYGMSSA-N -1 3 316.405 2.511 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2C[C@H](C(F)(F)F)CC[C@@H]2C)O1 ZINC000833583236 605702784 /nfs/dbraw/zinc/70/27/84/605702784.db2.gz IOWCJHLICOJUNH-JMJZKYOTSA-N -1 3 307.312 2.797 20 0 DFADHM O=C([O-])N1CC[C@@H](CN2CC(c3nc4ccccc4s3)C2)C1 ZINC000834076142 605889955 /nfs/dbraw/zinc/88/99/55/605889955.db2.gz VVTDFHVLPZNRKM-NSHDSACASA-N -1 3 317.414 2.695 20 0 DFADHM CCOc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821417821 606029006 /nfs/dbraw/zinc/02/90/06/606029006.db2.gz SXTOMRMRGLECCA-LLVKDONJSA-N -1 3 310.361 2.834 20 0 DFADHM CCOc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821417821 606029010 /nfs/dbraw/zinc/02/90/10/606029010.db2.gz SXTOMRMRGLECCA-LLVKDONJSA-N -1 3 310.361 2.834 20 0 DFADHM COc1ccc(F)cc1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821828372 606050756 /nfs/dbraw/zinc/05/07/56/606050756.db2.gz ULAKBENIRGIXPJ-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM COc1ccc(F)cc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821828372 606050759 /nfs/dbraw/zinc/05/07/59/606050759.db2.gz ULAKBENIRGIXPJ-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1cnc2ccccc2c1 ZINC000834094959 606062539 /nfs/dbraw/zinc/06/25/39/606062539.db2.gz IVOROGOCJSRDID-CVEARBPZSA-N -1 3 311.385 2.952 20 0 DFADHM Oc1cccc2c1CC[C@H]2Nc1cccc(F)c1-c1nnn[n-]1 ZINC000823732181 606064069 /nfs/dbraw/zinc/06/40/69/606064069.db2.gz IZZOUEWVXBVOMU-GFCCVEGCSA-N -1 3 311.320 2.811 20 0 DFADHM Oc1cccc2c1CC[C@H]2Nc1cccc(F)c1-c1nn[n-]n1 ZINC000823732181 606064074 /nfs/dbraw/zinc/06/40/74/606064074.db2.gz IZZOUEWVXBVOMU-GFCCVEGCSA-N -1 3 311.320 2.811 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1c1ccccc1 ZINC000820767132 606091461 /nfs/dbraw/zinc/09/14/61/606091461.db2.gz GKZCXNUGYDKBCE-CJNGLKHVSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1c1ccccc1 ZINC000820767132 606091463 /nfs/dbraw/zinc/09/14/63/606091463.db2.gz GKZCXNUGYDKBCE-CJNGLKHVSA-N -1 3 320.400 2.892 20 0 DFADHM COc1ccc([C@H](C)CCNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821777222 606092853 /nfs/dbraw/zinc/09/28/53/606092853.db2.gz CJECNIITKAISJF-GFCCVEGCSA-N -1 3 324.388 2.876 20 0 DFADHM COc1ccc([C@H](C)CCNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821777222 606092858 /nfs/dbraw/zinc/09/28/58/606092858.db2.gz CJECNIITKAISJF-GFCCVEGCSA-N -1 3 324.388 2.876 20 0 DFADHM CCS[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821456863 606097970 /nfs/dbraw/zinc/09/79/70/606097970.db2.gz SHLXPTYCUZWZRP-PWSUYJOCSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821456863 606097971 /nfs/dbraw/zinc/09/79/71/606097971.db2.gz SHLXPTYCUZWZRP-PWSUYJOCSA-N -1 3 304.423 2.738 20 0 DFADHM CC1(C)CCC[C@@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820589706 606120104 /nfs/dbraw/zinc/12/01/04/606120104.db2.gz LADMFNSERXOYNQ-HBWSCVEGSA-N -1 3 311.389 2.575 20 0 DFADHM CC1(C)CCC[C@@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820589706 606120105 /nfs/dbraw/zinc/12/01/05/606120105.db2.gz LADMFNSERXOYNQ-HBWSCVEGSA-N -1 3 311.389 2.575 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000822930180 606120436 /nfs/dbraw/zinc/12/04/36/606120436.db2.gz YNGYQSNUXPKLIP-CWCINCBISA-N -1 3 323.400 2.529 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000822930180 606120437 /nfs/dbraw/zinc/12/04/37/606120437.db2.gz YNGYQSNUXPKLIP-CWCINCBISA-N -1 3 323.400 2.529 20 0 DFADHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccccc1 ZINC000820396586 606123182 /nfs/dbraw/zinc/12/31/82/606123182.db2.gz HBMPDDZWVHNUFX-QWHCGFSZSA-N -1 3 321.384 2.789 20 0 DFADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccccc1 ZINC000820396586 606123183 /nfs/dbraw/zinc/12/31/83/606123183.db2.gz HBMPDDZWVHNUFX-QWHCGFSZSA-N -1 3 321.384 2.789 20 0 DFADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820392304 606123240 /nfs/dbraw/zinc/12/32/40/606123240.db2.gz UETXVFZRWOFODO-STQMWFEESA-N -1 3 321.384 2.789 20 0 DFADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820392304 606123242 /nfs/dbraw/zinc/12/32/42/606123242.db2.gz UETXVFZRWOFODO-STQMWFEESA-N -1 3 321.384 2.789 20 0 DFADHM Clc1ccc(NCCc2cscn2)c(-c2nnn[n-]2)c1 ZINC000822579079 606125360 /nfs/dbraw/zinc/12/53/60/606125360.db2.gz VMYCXMPEPYYCBB-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Clc1ccc(NCCc2cscn2)c(-c2nn[n-]n2)c1 ZINC000822579079 606125361 /nfs/dbraw/zinc/12/53/61/606125361.db2.gz VMYCXMPEPYYCBB-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM OCC[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000823717679 606125374 /nfs/dbraw/zinc/12/53/74/606125374.db2.gz JAGHIIQEVWPJLN-AWEZNQCLSA-N -1 3 319.384 2.749 20 0 DFADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1ncccc1-c1nnn[n-]1 ZINC000820643418 606138592 /nfs/dbraw/zinc/13/85/92/606138592.db2.gz VYQPDJDUABHZBB-DZGCQCFKSA-N -1 3 320.400 2.719 20 0 DFADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1ncccc1-c1nn[n-]n1 ZINC000820643418 606138594 /nfs/dbraw/zinc/13/85/94/606138594.db2.gz VYQPDJDUABHZBB-DZGCQCFKSA-N -1 3 320.400 2.719 20 0 DFADHM COC[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821682957 606141274 /nfs/dbraw/zinc/14/12/74/606141274.db2.gz RINQPOMSVNXCDJ-INIZCTEOSA-N -1 3 309.373 2.536 20 0 DFADHM CN(C(=O)[C@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569423 606148383 /nfs/dbraw/zinc/14/83/83/606148383.db2.gz JUYFHWASORJUPQ-LLVKDONJSA-N -1 3 315.352 2.549 20 0 DFADHM CN(C(=O)[C@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569423 606148385 /nfs/dbraw/zinc/14/83/85/606148385.db2.gz JUYFHWASORJUPQ-LLVKDONJSA-N -1 3 315.352 2.549 20 0 DFADHM O=[S@](Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000823615024 606156087 /nfs/dbraw/zinc/15/60/87/606156087.db2.gz XSBSVPIPNGVDTL-OAQYLSRUSA-N -1 3 318.789 2.828 20 0 DFADHM O=[S@](Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000823615024 606156089 /nfs/dbraw/zinc/15/60/89/606156089.db2.gz XSBSVPIPNGVDTL-OAQYLSRUSA-N -1 3 318.789 2.828 20 0 DFADHM Cc1cc(C)c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822194167 606180499 /nfs/dbraw/zinc/18/04/99/606180499.db2.gz LLISHSHFBUSWJO-NSHDSACASA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C)c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822194167 606180500 /nfs/dbraw/zinc/18/05/00/606180500.db2.gz LLISHSHFBUSWJO-NSHDSACASA-N -1 3 312.329 2.995 20 0 DFADHM CC(C)[C@H](C)N(C(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820017215 606181975 /nfs/dbraw/zinc/18/19/75/606181975.db2.gz UMGPBUDOTZEZON-NSHDSACASA-N -1 3 314.393 2.908 20 0 DFADHM CC(C)[C@H](C)N(C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820017215 606181976 /nfs/dbraw/zinc/18/19/76/606181976.db2.gz UMGPBUDOTZEZON-NSHDSACASA-N -1 3 314.393 2.908 20 0 DFADHM C[C@H](OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488524 606189294 /nfs/dbraw/zinc/18/92/94/606189294.db2.gz OYNKXERKKCGNOL-BSLXNSKLSA-N -1 3 312.373 2.907 20 0 DFADHM C[C@H](OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488524 606189296 /nfs/dbraw/zinc/18/92/96/606189296.db2.gz OYNKXERKKCGNOL-BSLXNSKLSA-N -1 3 312.373 2.907 20 0 DFADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1C(C)(C)C ZINC000822655033 606207650 /nfs/dbraw/zinc/20/76/50/606207650.db2.gz BLUCGYCQEUBCRN-UHFFFAOYSA-N -1 3 324.388 2.755 20 0 DFADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1C(C)(C)C ZINC000822655033 606207652 /nfs/dbraw/zinc/20/76/52/606207652.db2.gz BLUCGYCQEUBCRN-UHFFFAOYSA-N -1 3 324.388 2.755 20 0 DFADHM CC(C)c1ccc(OC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000820192137 606211106 /nfs/dbraw/zinc/21/11/06/606211106.db2.gz FGQDABNCVNQBHX-UHFFFAOYSA-N -1 3 311.345 2.548 20 0 DFADHM CC(C)c1ccc(OC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000820192137 606211107 /nfs/dbraw/zinc/21/11/07/606211107.db2.gz FGQDABNCVNQBHX-UHFFFAOYSA-N -1 3 311.345 2.548 20 0 DFADHM COc1cc(F)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821719363 606212142 /nfs/dbraw/zinc/21/21/42/606212142.db2.gz CPTLEGNXRQCSNX-UHFFFAOYSA-N -1 3 305.338 2.688 20 0 DFADHM COc1cc(F)ccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821719363 606212143 /nfs/dbraw/zinc/21/21/43/606212143.db2.gz CPTLEGNXRQCSNX-UHFFFAOYSA-N -1 3 305.338 2.688 20 0 DFADHM CCC[C@@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821014466 606224289 /nfs/dbraw/zinc/22/42/89/606224289.db2.gz HMJIJYVWCPQARG-SNVBAGLBSA-N -1 3 306.391 2.691 20 0 DFADHM CCC[C@@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821014466 606224291 /nfs/dbraw/zinc/22/42/91/606224291.db2.gz HMJIJYVWCPQARG-SNVBAGLBSA-N -1 3 306.391 2.691 20 0 DFADHM C[C@H]1[C@H](c2ccccc2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000820641558 606231951 /nfs/dbraw/zinc/23/19/51/606231951.db2.gz DEXLSRXVHAVTON-SWLSCSKDSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1[C@H](c2ccccc2)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000820641558 606231953 /nfs/dbraw/zinc/23/19/53/606231953.db2.gz DEXLSRXVHAVTON-SWLSCSKDSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(Cl)c1 ZINC000820500781 606232092 /nfs/dbraw/zinc/23/20/92/606232092.db2.gz GMIOWXYPWQWAFY-MRVPVSSYSA-N -1 3 317.736 2.766 20 0 DFADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(Cl)c1 ZINC000820500781 606232094 /nfs/dbraw/zinc/23/20/94/606232094.db2.gz GMIOWXYPWQWAFY-MRVPVSSYSA-N -1 3 317.736 2.766 20 0 DFADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(Cl)c1 ZINC000820500783 606232614 /nfs/dbraw/zinc/23/26/14/606232614.db2.gz GMIOWXYPWQWAFY-QMMMGPOBSA-N -1 3 317.736 2.766 20 0 DFADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(Cl)c1 ZINC000820500783 606232617 /nfs/dbraw/zinc/23/26/17/606232617.db2.gz GMIOWXYPWQWAFY-QMMMGPOBSA-N -1 3 317.736 2.766 20 0 DFADHM CCCN(CCc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821099384 606239954 /nfs/dbraw/zinc/23/99/54/606239954.db2.gz GCCIPQLDHGGDII-UHFFFAOYSA-N -1 3 308.389 2.721 20 0 DFADHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC[C@H]1O ZINC000820623108 606243279 /nfs/dbraw/zinc/24/32/79/606243279.db2.gz FKAOWTBPMOBQLL-HIFRSBDPSA-N -1 3 321.812 2.873 20 0 DFADHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC[C@H]1O ZINC000820623108 606243281 /nfs/dbraw/zinc/24/32/81/606243281.db2.gz FKAOWTBPMOBQLL-HIFRSBDPSA-N -1 3 321.812 2.873 20 0 DFADHM CC(C)c1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000820192741 606244848 /nfs/dbraw/zinc/24/48/48/606244848.db2.gz XOWSAXDQRWCAKT-LLVKDONJSA-N -1 3 324.388 2.809 20 0 DFADHM CC(C)c1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000820192741 606244850 /nfs/dbraw/zinc/24/48/50/606244850.db2.gz XOWSAXDQRWCAKT-LLVKDONJSA-N -1 3 324.388 2.809 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCc2ccccc21 ZINC000823343805 606268945 /nfs/dbraw/zinc/26/89/45/606268945.db2.gz HURARQOOPRPJDL-ZDUSSCGKSA-N -1 3 323.331 2.674 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCc2ccccc21 ZINC000823343805 606268946 /nfs/dbraw/zinc/26/89/46/606268946.db2.gz HURARQOOPRPJDL-ZDUSSCGKSA-N -1 3 323.331 2.674 20 0 DFADHM Cc1ccccc1[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC000822350126 606276964 /nfs/dbraw/zinc/27/69/64/606276964.db2.gz APSAUWWFFHNFNM-HNNXBMFYSA-N -1 3 324.388 2.630 20 0 DFADHM Cc1ccccc1[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC000822350126 606276965 /nfs/dbraw/zinc/27/69/65/606276965.db2.gz APSAUWWFFHNFNM-HNNXBMFYSA-N -1 3 324.388 2.630 20 0 DFADHM c1c(CSc2cccc(-c3nnn[n-]3)c2)nc2ccccn12 ZINC000823762100 606326522 /nfs/dbraw/zinc/32/65/22/606326522.db2.gz IOBIQVSKKKZOAP-UHFFFAOYSA-N -1 3 308.370 2.807 20 0 DFADHM c1c(CSc2cccc(-c3nn[n-]n3)c2)nc2ccccn12 ZINC000823762100 606326524 /nfs/dbraw/zinc/32/65/24/606326524.db2.gz IOBIQVSKKKZOAP-UHFFFAOYSA-N -1 3 308.370 2.807 20 0 DFADHM Clc1ccccc1-c1noc(-c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC000822585636 606328361 /nfs/dbraw/zinc/32/83/61/606328361.db2.gz IETSDCBECNYEAJ-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM Clc1ccccc1-c1noc(-c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC000822585636 606328363 /nfs/dbraw/zinc/32/83/63/606328363.db2.gz IETSDCBECNYEAJ-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM CC(C)COCCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820103054 606347033 /nfs/dbraw/zinc/34/70/33/606347033.db2.gz OIJOPDZUVKVKPJ-GFCCVEGCSA-N -1 3 318.377 2.534 20 0 DFADHM CC(C)COCCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820103054 606347035 /nfs/dbraw/zinc/34/70/35/606347035.db2.gz OIJOPDZUVKVKPJ-GFCCVEGCSA-N -1 3 318.377 2.534 20 0 DFADHM CC1(C)CCC[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820590237 606347105 /nfs/dbraw/zinc/34/71/05/606347105.db2.gz QUSJHSHYDIRFFT-LBPRGKRZSA-N -1 3 318.356 2.706 20 0 DFADHM CC1(C)CCC[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820590237 606347107 /nfs/dbraw/zinc/34/71/07/606347107.db2.gz QUSJHSHYDIRFFT-LBPRGKRZSA-N -1 3 318.356 2.706 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820966029 606357512 /nfs/dbraw/zinc/35/75/12/606357512.db2.gz BKPAUIGRKMELFW-MWLCHTKSSA-N -1 3 318.356 2.658 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820966029 606357514 /nfs/dbraw/zinc/35/75/14/606357514.db2.gz BKPAUIGRKMELFW-MWLCHTKSSA-N -1 3 318.356 2.658 20 0 DFADHM CCCC[C@H](CCC)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821042600 606386623 /nfs/dbraw/zinc/38/66/23/606386623.db2.gz FYTCMORTOOXJSP-LBPRGKRZSA-N -1 3 305.382 2.721 20 0 DFADHM CCCC[C@H](CCC)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821042600 606386624 /nfs/dbraw/zinc/38/66/24/606386624.db2.gz FYTCMORTOOXJSP-LBPRGKRZSA-N -1 3 305.382 2.721 20 0 DFADHM CC(C)CCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820067234 606411222 /nfs/dbraw/zinc/41/12/22/606411222.db2.gz HBHZTTJIEIPMAK-UHFFFAOYSA-N -1 3 307.785 2.919 20 0 DFADHM CC(C)CCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820067234 606411223 /nfs/dbraw/zinc/41/12/23/606411223.db2.gz HBHZTTJIEIPMAK-UHFFFAOYSA-N -1 3 307.785 2.919 20 0 DFADHM Cc1ccoc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822378516 606413062 /nfs/dbraw/zinc/41/30/62/606413062.db2.gz BAJMPTXWHAYWHU-UHFFFAOYSA-N -1 3 317.736 2.698 20 0 DFADHM Cc1ccoc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822378516 606413064 /nfs/dbraw/zinc/41/30/64/606413064.db2.gz BAJMPTXWHAYWHU-UHFFFAOYSA-N -1 3 317.736 2.698 20 0 DFADHM CCC1(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000820962600 606428471 /nfs/dbraw/zinc/42/84/71/606428471.db2.gz VGNRARZAHFPMQG-UHFFFAOYSA-N -1 3 312.299 2.883 20 0 DFADHM CCC1(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000820962600 606428473 /nfs/dbraw/zinc/42/84/73/606428473.db2.gz VGNRARZAHFPMQG-UHFFFAOYSA-N -1 3 312.299 2.883 20 0 DFADHM COC(=O)c1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000821670203 606444651 /nfs/dbraw/zinc/44/46/51/606444651.db2.gz RMVRTBMMEKEECX-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM COC(=O)c1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000821670203 606444653 /nfs/dbraw/zinc/44/46/53/606444653.db2.gz RMVRTBMMEKEECX-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM CC(C)CC(C)(C)CNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820051960 606448761 /nfs/dbraw/zinc/44/87/61/606448761.db2.gz YYUGBDKYTZOIIL-UHFFFAOYSA-N -1 3 301.394 2.669 20 0 DFADHM CC(C)CC(C)(C)CNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820051960 606448763 /nfs/dbraw/zinc/44/87/63/606448763.db2.gz YYUGBDKYTZOIIL-UHFFFAOYSA-N -1 3 301.394 2.669 20 0 DFADHM CC(C)(C)c1nccc(NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819971685 606454443 /nfs/dbraw/zinc/45/44/43/606454443.db2.gz RBDYZLOUAUNCQL-UHFFFAOYSA-N -1 3 309.377 2.566 20 0 DFADHM CC(C)(C)c1nccc(NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819971685 606454445 /nfs/dbraw/zinc/45/44/45/606454445.db2.gz RBDYZLOUAUNCQL-UHFFFAOYSA-N -1 3 309.377 2.566 20 0 DFADHM O=C(Oc1ccccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823454676 606460899 /nfs/dbraw/zinc/46/08/99/606460899.db2.gz QPAVGAMCHOXHQM-UHFFFAOYSA-N -1 3 306.734 2.801 20 0 DFADHM O=C(Oc1ccccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823454676 606460902 /nfs/dbraw/zinc/46/09/02/606460902.db2.gz QPAVGAMCHOXHQM-UHFFFAOYSA-N -1 3 306.734 2.801 20 0 DFADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1 ZINC000820508626 606462935 /nfs/dbraw/zinc/46/29/35/606462935.db2.gz UDRCTCAFSAYXHP-MRVPVSSYSA-N -1 3 318.333 2.985 20 0 DFADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1 ZINC000820508626 606462937 /nfs/dbraw/zinc/46/29/37/606462937.db2.gz UDRCTCAFSAYXHP-MRVPVSSYSA-N -1 3 318.333 2.985 20 0 DFADHM CC(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820046271 606472165 /nfs/dbraw/zinc/47/21/65/606472165.db2.gz RAQUEAVMEALDAB-YGRLFVJLSA-N -1 3 321.812 2.993 20 0 DFADHM CC(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820046271 606472166 /nfs/dbraw/zinc/47/21/66/606472166.db2.gz RAQUEAVMEALDAB-YGRLFVJLSA-N -1 3 321.812 2.993 20 0 DFADHM O=C(Nc1cccc(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823363441 606476167 /nfs/dbraw/zinc/47/61/67/606476167.db2.gz DXLVRVLJFFMPMO-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM O=C(Nc1cccc(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823363441 606476169 /nfs/dbraw/zinc/47/61/69/606476169.db2.gz DXLVRVLJFFMPMO-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM CC1(O)CCC(Nc2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000820623820 606477283 /nfs/dbraw/zinc/47/72/83/606477283.db2.gz ZPUXXCUFJXDRIX-UHFFFAOYSA-N -1 3 307.785 2.626 20 0 DFADHM CC1(O)CCC(Nc2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000820623820 606477285 /nfs/dbraw/zinc/47/72/85/606477285.db2.gz ZPUXXCUFJXDRIX-UHFFFAOYSA-N -1 3 307.785 2.626 20 0 DFADHM O=C(Nc1ccc(Cl)cc1F)c1cc(-c2nnn[n-]2)cs1 ZINC000823333014 606477324 /nfs/dbraw/zinc/47/73/24/606477324.db2.gz WZMGVRDBSTYWDZ-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1ccc(Cl)cc1F)c1cc(-c2nn[n-]n2)cs1 ZINC000823333014 606477326 /nfs/dbraw/zinc/47/73/26/606477326.db2.gz WZMGVRDBSTYWDZ-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM C[C@H](Cc1ccncc1)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820299642 606478741 /nfs/dbraw/zinc/47/87/41/606478741.db2.gz IAZNWXOAQWZEQB-SNVBAGLBSA-N -1 3 314.780 2.958 20 0 DFADHM C[C@H](Cc1ccncc1)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820299642 606478743 /nfs/dbraw/zinc/47/87/43/606478743.db2.gz IAZNWXOAQWZEQB-SNVBAGLBSA-N -1 3 314.780 2.958 20 0 DFADHM C[C@H](Cc1ccncc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820300368 606478789 /nfs/dbraw/zinc/47/87/89/606478789.db2.gz QMWMADCBRUKCKV-SNVBAGLBSA-N -1 3 314.780 2.958 20 0 DFADHM C[C@H](Cc1ccncc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820300368 606478791 /nfs/dbraw/zinc/47/87/91/606478791.db2.gz QMWMADCBRUKCKV-SNVBAGLBSA-N -1 3 314.780 2.958 20 0 DFADHM C[C@@H](Cc1ccncc1)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820308504 606479411 /nfs/dbraw/zinc/47/94/11/606479411.db2.gz WCJXOUZHQFJCEB-JTQLQIEISA-N -1 3 314.780 2.958 20 0 DFADHM C[C@@H](Cc1ccncc1)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820308504 606479413 /nfs/dbraw/zinc/47/94/13/606479413.db2.gz WCJXOUZHQFJCEB-JTQLQIEISA-N -1 3 314.780 2.958 20 0 DFADHM CCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820962430 606481742 /nfs/dbraw/zinc/48/17/42/606481742.db2.gz QWWPVTSKAKGYBW-UHFFFAOYSA-N -1 3 300.366 2.569 20 0 DFADHM CCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820962430 606481744 /nfs/dbraw/zinc/48/17/44/606481744.db2.gz QWWPVTSKAKGYBW-UHFFFAOYSA-N -1 3 300.366 2.569 20 0 DFADHM C[C@@H](c1ccccc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820563706 606483444 /nfs/dbraw/zinc/48/34/44/606483444.db2.gz UBGHVOMGVOVGBQ-JTQLQIEISA-N -1 3 313.386 2.761 20 0 DFADHM C[C@@H](c1ccccc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820563706 606483445 /nfs/dbraw/zinc/48/34/45/606483445.db2.gz UBGHVOMGVOVGBQ-JTQLQIEISA-N -1 3 313.386 2.761 20 0 DFADHM Cc1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822229358 606491276 /nfs/dbraw/zinc/49/12/76/606491276.db2.gz SEDYHYWJWFYUAG-JTQLQIEISA-N -1 3 313.386 2.728 20 0 DFADHM Cc1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822229358 606491277 /nfs/dbraw/zinc/49/12/77/606491277.db2.gz SEDYHYWJWFYUAG-JTQLQIEISA-N -1 3 313.386 2.728 20 0 DFADHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C)c1 ZINC000821155042 606503419 /nfs/dbraw/zinc/50/34/19/606503419.db2.gz VIDBGYOXNPYLNG-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C)c1 ZINC000821155042 606503420 /nfs/dbraw/zinc/50/34/20/606503420.db2.gz VIDBGYOXNPYLNG-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CCCCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CC ZINC000821062314 606506283 /nfs/dbraw/zinc/50/62/83/606506283.db2.gz WMFHAZPXAAOBEY-ZDUSSCGKSA-N -1 3 315.421 2.836 20 0 DFADHM CCCCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CC ZINC000821062314 606506284 /nfs/dbraw/zinc/50/62/84/606506284.db2.gz WMFHAZPXAAOBEY-ZDUSSCGKSA-N -1 3 315.421 2.836 20 0 DFADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC000820390103 606515636 /nfs/dbraw/zinc/51/56/36/606515636.db2.gz FEJUBVMDXMHARY-SECBINFHSA-N -1 3 305.407 2.627 20 0 DFADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC000820390103 606515638 /nfs/dbraw/zinc/51/56/38/606515638.db2.gz FEJUBVMDXMHARY-SECBINFHSA-N -1 3 305.407 2.627 20 0 DFADHM CCCCCC[C@@H](C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821050037 606520885 /nfs/dbraw/zinc/52/08/85/606520885.db2.gz OYDYKNSRLKTCOG-CYBMUJFWSA-N -1 3 315.421 2.884 20 0 DFADHM CCCCCC[C@@H](C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821050037 606520887 /nfs/dbraw/zinc/52/08/87/606520887.db2.gz OYDYKNSRLKTCOG-CYBMUJFWSA-N -1 3 315.421 2.884 20 0 DFADHM C[C@H](NC(=O)[C@@H](C)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820313149 606523054 /nfs/dbraw/zinc/52/30/54/606523054.db2.gz BDYLGHJQLCYXRU-RYUDHWBXSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](NC(=O)[C@@H](C)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820313149 606523056 /nfs/dbraw/zinc/52/30/56/606523056.db2.gz BDYLGHJQLCYXRU-RYUDHWBXSA-N -1 3 313.405 2.870 20 0 DFADHM Cc1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822226225 606534798 /nfs/dbraw/zinc/53/47/98/606534798.db2.gz IPTJOJFHMKVCDF-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822226225 606534800 /nfs/dbraw/zinc/53/48/00/606534800.db2.gz IPTJOJFHMKVCDF-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CCC[C@@]1(C)CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000821028038 606544256 /nfs/dbraw/zinc/54/42/56/606544256.db2.gz RYLLWTUWBKRUOP-HNNXBMFYSA-N -1 3 319.434 2.971 20 0 DFADHM CCC[C@@]1(C)CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000821028038 606544258 /nfs/dbraw/zinc/54/42/58/606544258.db2.gz RYLLWTUWBKRUOP-HNNXBMFYSA-N -1 3 319.434 2.971 20 0 DFADHM O=C(Nc1ccc2[nH]ccc2c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823355464 606554629 /nfs/dbraw/zinc/55/46/29/606554629.db2.gz CSUJNVMKHBYZMW-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(Nc1ccc2[nH]ccc2c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823355464 606554630 /nfs/dbraw/zinc/55/46/30/606554630.db2.gz CSUJNVMKHBYZMW-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM CCC1(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCC1 ZINC000820961790 606574302 /nfs/dbraw/zinc/57/43/02/606574302.db2.gz BVKHSAQRLAMREK-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM CCC1(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCC1 ZINC000820961790 606574304 /nfs/dbraw/zinc/57/43/04/606574304.db2.gz BVKHSAQRLAMREK-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM C[C@@H](NC(=O)[C@@H](C)C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316345 606578575 /nfs/dbraw/zinc/57/85/75/606578575.db2.gz UEVITPIJIOJCPA-NWDGAFQWSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H](NC(=O)[C@@H](C)C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316345 606578576 /nfs/dbraw/zinc/57/85/76/606578576.db2.gz UEVITPIJIOJCPA-NWDGAFQWSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000820455534 606592022 /nfs/dbraw/zinc/59/20/22/606592022.db2.gz JHOIWHNGWBQBQD-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000820455534 606592024 /nfs/dbraw/zinc/59/20/24/606592024.db2.gz JHOIWHNGWBQBQD-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM CC(C)N(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820334583 606601317 /nfs/dbraw/zinc/60/13/17/606601317.db2.gz OBGWEDFDJROURB-LLVKDONJSA-N -1 3 314.393 2.510 20 0 DFADHM CC(C)N(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820334583 606601318 /nfs/dbraw/zinc/60/13/18/606601318.db2.gz OBGWEDFDJROURB-LLVKDONJSA-N -1 3 314.393 2.510 20 0 DFADHM CO[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1(C)C ZINC000821679180 606609687 /nfs/dbraw/zinc/60/96/87/606609687.db2.gz YFGCIOQJVIHAPS-VXGBXAGGSA-N -1 3 307.785 2.746 20 0 DFADHM CO[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1(C)C ZINC000821679180 606609689 /nfs/dbraw/zinc/60/96/89/606609689.db2.gz YFGCIOQJVIHAPS-VXGBXAGGSA-N -1 3 307.785 2.746 20 0 DFADHM CC1(CNc2c(Cl)cccc2-c2nnn[n-]2)CCOCC1 ZINC000820623357 606610728 /nfs/dbraw/zinc/61/07/28/606610728.db2.gz NHGCECCNRGRCLJ-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM CC1(CNc2c(Cl)cccc2-c2nn[n-]n2)CCOCC1 ZINC000820623357 606610729 /nfs/dbraw/zinc/61/07/29/606610729.db2.gz NHGCECCNRGRCLJ-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820678779 606621907 /nfs/dbraw/zinc/62/19/07/606621907.db2.gz YHKHHQTXCCFUDW-VUBLIPMDSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820678779 606621908 /nfs/dbraw/zinc/62/19/08/606621908.db2.gz YHKHHQTXCCFUDW-VUBLIPMDSA-N -1 3 316.336 2.795 20 0 DFADHM Cc1[nH]ccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000822010272 606630420 /nfs/dbraw/zinc/63/04/20/606630420.db2.gz VYJWTVVBSZBNOG-UHFFFAOYSA-N -1 3 324.388 2.554 20 0 DFADHM Cc1[nH]ccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000822010272 606630421 /nfs/dbraw/zinc/63/04/21/606630421.db2.gz VYJWTVVBSZBNOG-UHFFFAOYSA-N -1 3 324.388 2.554 20 0 DFADHM Cc1nnc(CSc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000822511039 606630730 /nfs/dbraw/zinc/63/07/30/606630730.db2.gz ZUGPVNHENVWYQB-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM Cc1nnc(CSc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000822511039 606630731 /nfs/dbraw/zinc/63/07/31/606630731.db2.gz ZUGPVNHENVWYQB-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM Cc1nc(Cl)sc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000822449844 606645902 /nfs/dbraw/zinc/64/59/02/606645902.db2.gz RRZPPKJHYVCVLM-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1nc(Cl)sc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000822449844 606645903 /nfs/dbraw/zinc/64/59/03/606645903.db2.gz RRZPPKJHYVCVLM-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1F ZINC000822228728 606733586 /nfs/dbraw/zinc/73/35/86/606733586.db2.gz DEXYUDXAXQQBRP-SNVBAGLBSA-N -1 3 301.325 2.758 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1F ZINC000822284235 606736471 /nfs/dbraw/zinc/73/64/71/606736471.db2.gz MPTRHBMAWMHIPY-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1F ZINC000822284235 606736473 /nfs/dbraw/zinc/73/64/73/606736473.db2.gz MPTRHBMAWMHIPY-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM CC(C)c1cccc(COC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820197952 606737078 /nfs/dbraw/zinc/73/70/78/606737078.db2.gz PQMBIURRTUEAGT-UHFFFAOYSA-N -1 3 323.356 2.742 20 0 DFADHM CC(C)c1cccc(COC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820197952 606737080 /nfs/dbraw/zinc/73/70/80/606737080.db2.gz PQMBIURRTUEAGT-UHFFFAOYSA-N -1 3 323.356 2.742 20 0 DFADHM O=C(OCCC1CCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823401363 606748058 /nfs/dbraw/zinc/74/80/58/606748058.db2.gz UPBYNTJJWMPUJQ-UHFFFAOYSA-N -1 3 322.315 2.882 20 0 DFADHM O=C(OCCC1CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823401363 606748059 /nfs/dbraw/zinc/74/80/59/606748059.db2.gz UPBYNTJJWMPUJQ-UHFFFAOYSA-N -1 3 322.315 2.882 20 0 DFADHM CCc1oc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821563728 606761083 /nfs/dbraw/zinc/76/10/83/606761083.db2.gz CHSBMQAHTJTSNV-UHFFFAOYSA-N -1 3 312.329 2.688 20 0 DFADHM CCc1oc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821563728 606761084 /nfs/dbraw/zinc/76/10/84/606761084.db2.gz CHSBMQAHTJTSNV-UHFFFAOYSA-N -1 3 312.329 2.688 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820981272 606766764 /nfs/dbraw/zinc/76/67/64/606766764.db2.gz QJMVADJFBGNATP-MFKMUULPSA-N -1 3 300.366 2.567 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820981272 606766766 /nfs/dbraw/zinc/76/67/66/606766766.db2.gz QJMVADJFBGNATP-MFKMUULPSA-N -1 3 300.366 2.567 20 0 DFADHM COc1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)cn1 ZINC000821825190 606780872 /nfs/dbraw/zinc/78/08/72/606780872.db2.gz UHXVBMAGSRYSIS-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COc1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC000821825190 606780874 /nfs/dbraw/zinc/78/08/74/606780874.db2.gz UHXVBMAGSRYSIS-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM CC(C)OC(=O)O[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000820142338 606793678 /nfs/dbraw/zinc/79/36/78/606793678.db2.gz LCZFSOOVGARZHJ-SECBINFHSA-N -1 3 308.363 2.866 20 0 DFADHM CC(C)OC(=O)O[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000820142338 606793680 /nfs/dbraw/zinc/79/36/80/606793680.db2.gz LCZFSOOVGARZHJ-SECBINFHSA-N -1 3 308.363 2.866 20 0 DFADHM Cc1nnc(NCC2(CC(C)C)CC2)c(-c2nnn[n-]2)c1C ZINC000822514266 606801419 /nfs/dbraw/zinc/80/14/19/606801419.db2.gz DWASHGHTQCWBJY-UHFFFAOYSA-N -1 3 301.398 2.512 20 0 DFADHM Cc1nnc(NCC2(CC(C)C)CC2)c(-c2nn[n-]n2)c1C ZINC000822514266 606801420 /nfs/dbraw/zinc/80/14/20/606801420.db2.gz DWASHGHTQCWBJY-UHFFFAOYSA-N -1 3 301.398 2.512 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C(C)C)n1 ZINC000822220475 606802783 /nfs/dbraw/zinc/80/27/83/606802783.db2.gz SPJAYVDZHHHMDE-UHFFFAOYSA-N -1 3 322.372 2.946 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C(C)C)n1 ZINC000822220475 606802785 /nfs/dbraw/zinc/80/27/85/606802785.db2.gz SPJAYVDZHHHMDE-UHFFFAOYSA-N -1 3 322.372 2.946 20 0 DFADHM CC(C)CC1(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820062238 606811875 /nfs/dbraw/zinc/81/18/75/606811875.db2.gz KTFGHRWXSGQDDT-UHFFFAOYSA-N -1 3 313.405 2.813 20 0 DFADHM CC(C)CC1(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820062238 606811877 /nfs/dbraw/zinc/81/18/77/606811877.db2.gz KTFGHRWXSGQDDT-UHFFFAOYSA-N -1 3 313.405 2.813 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(NCCc2ccncc2)c1 ZINC000822568602 606822161 /nfs/dbraw/zinc/82/21/61/606822161.db2.gz SYHBQFBLAJXGEQ-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(NCCc2ccncc2)c1 ZINC000822568602 606822162 /nfs/dbraw/zinc/82/21/62/606822162.db2.gz SYHBQFBLAJXGEQ-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1NCCc1ccncc1 ZINC000822586442 606822504 /nfs/dbraw/zinc/82/25/04/606822504.db2.gz YWFFJKKIUBYWOI-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1NCCc1ccncc1 ZINC000822586442 606822505 /nfs/dbraw/zinc/82/25/05/606822505.db2.gz YWFFJKKIUBYWOI-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM C[C@H]1CCC[C@@H](CCOC(=O)c2cc(-c3nnn[n-]3)cn2C)C1 ZINC000820696932 606825979 /nfs/dbraw/zinc/82/59/79/606825979.db2.gz DABFTLUGMDYYSO-RYUDHWBXSA-N -1 3 317.393 2.578 20 0 DFADHM C[C@H]1CCC[C@@H](CCOC(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC000820696932 606825980 /nfs/dbraw/zinc/82/59/80/606825980.db2.gz DABFTLUGMDYYSO-RYUDHWBXSA-N -1 3 317.393 2.578 20 0 DFADHM CCC[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821041111 606869096 /nfs/dbraw/zinc/86/90/96/606869096.db2.gz ZGDCBKFEIQEYKI-LBPRGKRZSA-N -1 3 314.393 2.911 20 0 DFADHM CCC[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821041111 606869097 /nfs/dbraw/zinc/86/90/97/606869097.db2.gz ZGDCBKFEIQEYKI-LBPRGKRZSA-N -1 3 314.393 2.911 20 0 DFADHM Fc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)nc1 ZINC000822772411 606881934 /nfs/dbraw/zinc/88/19/34/606881934.db2.gz XVTMOHFGOVMRBR-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)nc1 ZINC000822772411 606881936 /nfs/dbraw/zinc/88/19/36/606881936.db2.gz XVTMOHFGOVMRBR-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)nc1 ZINC000822771134 606882071 /nfs/dbraw/zinc/88/20/71/606882071.db2.gz CTAFAGPSMJJDDF-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM Fc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)nc1 ZINC000822771134 606882072 /nfs/dbraw/zinc/88/20/72/606882072.db2.gz CTAFAGPSMJJDDF-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM C[C@@H]1CN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820753296 606884502 /nfs/dbraw/zinc/88/45/02/606884502.db2.gz XTTVVEGBIKQYLU-PXAZEXFGSA-N -1 3 321.384 2.524 20 0 DFADHM C[C@@H]1CN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820753296 606884504 /nfs/dbraw/zinc/88/45/04/606884504.db2.gz XTTVVEGBIKQYLU-PXAZEXFGSA-N -1 3 321.384 2.524 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)C(F)(F)F)n1 ZINC000822193436 606902632 /nfs/dbraw/zinc/90/26/32/606902632.db2.gz XXJQNRBSTXYVFO-SSDOTTSWSA-N -1 3 303.313 2.921 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)C(F)(F)F)n1 ZINC000822193436 606902633 /nfs/dbraw/zinc/90/26/33/606902633.db2.gz XXJQNRBSTXYVFO-SSDOTTSWSA-N -1 3 303.313 2.921 20 0 DFADHM CCc1nnc(N2CCCCCCC2)c(-c2nnn[n-]2)c1CC ZINC000821523288 606916050 /nfs/dbraw/zinc/91/60/50/606916050.db2.gz UJVNPZCBLOKVEK-UHFFFAOYSA-N -1 3 315.425 2.552 20 0 DFADHM CCc1nnc(N2CCCCCCC2)c(-c2nn[n-]n2)c1CC ZINC000821523288 606916051 /nfs/dbraw/zinc/91/60/51/606916051.db2.gz UJVNPZCBLOKVEK-UHFFFAOYSA-N -1 3 315.425 2.552 20 0 DFADHM CCN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C)c1 ZINC000821170247 606921228 /nfs/dbraw/zinc/92/12/28/606921228.db2.gz OPOMQKVGBFGVPD-QGZVFWFLSA-N -1 3 323.400 2.735 20 0 DFADHM CCN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C)c1 ZINC000821170247 606921230 /nfs/dbraw/zinc/92/12/30/606921230.db2.gz OPOMQKVGBFGVPD-QGZVFWFLSA-N -1 3 323.400 2.735 20 0 DFADHM CCN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000821169955 606921323 /nfs/dbraw/zinc/92/13/23/606921323.db2.gz JNYBAGODYPGWOG-KRWDZBQOSA-N -1 3 323.400 2.735 20 0 DFADHM CCN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000821169955 606921324 /nfs/dbraw/zinc/92/13/24/606921324.db2.gz JNYBAGODYPGWOG-KRWDZBQOSA-N -1 3 323.400 2.735 20 0 DFADHM Fc1ccc(CNc2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000822771668 606928266 /nfs/dbraw/zinc/92/82/66/606928266.db2.gz JRKYCLDMDWMJIK-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(CNc2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000822771668 606928268 /nfs/dbraw/zinc/92/82/68/606928268.db2.gz JRKYCLDMDWMJIK-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CC/C=C(/C)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821001078 606943430 /nfs/dbraw/zinc/94/34/30/606943430.db2.gz OLLUEQQZRKQXRH-SDQBBNPISA-N -1 3 316.361 2.535 20 0 DFADHM CC/C=C(/C)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821001078 606943432 /nfs/dbraw/zinc/94/34/32/606943432.db2.gz OLLUEQQZRKQXRH-SDQBBNPISA-N -1 3 316.361 2.535 20 0 DFADHM Cc1ccccc1CC1CN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000822356413 606944975 /nfs/dbraw/zinc/94/49/75/606944975.db2.gz RLLLXPXCGHNXBU-UHFFFAOYSA-N -1 3 323.375 2.993 20 0 DFADHM Cc1ccccc1CC1CN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000822356413 606944976 /nfs/dbraw/zinc/94/49/76/606944976.db2.gz RLLLXPXCGHNXBU-UHFFFAOYSA-N -1 3 323.375 2.993 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822227259 606990353 /nfs/dbraw/zinc/99/03/53/606990353.db2.gz BAQMTXGXLLELQE-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822227259 606990354 /nfs/dbraw/zinc/99/03/54/606990354.db2.gz BAQMTXGXLLELQE-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000823421911 606990863 /nfs/dbraw/zinc/99/08/63/606990863.db2.gz JZDVWNGMZBMHRL-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000823421911 606990864 /nfs/dbraw/zinc/99/08/64/606990864.db2.gz JZDVWNGMZBMHRL-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CC=C(C=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)CC ZINC000820825753 606992372 /nfs/dbraw/zinc/99/23/72/606992372.db2.gz CQZNRSKCECQRGX-UESYMLIUSA-N -1 3 311.389 2.956 20 0 DFADHM CC=C(C=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)CC ZINC000820825753 606992373 /nfs/dbraw/zinc/99/23/73/606992373.db2.gz CQZNRSKCECQRGX-UESYMLIUSA-N -1 3 311.389 2.956 20 0 DFADHM FC(F)(F)COCCSc1cccc(-c2nnn[n-]2)c1 ZINC000822718944 607010201 /nfs/dbraw/zinc/01/02/01/607010201.db2.gz WEVSDHKMZQRKBM-UHFFFAOYSA-N -1 3 304.297 2.538 20 0 DFADHM FC(F)(F)COCCSc1cccc(-c2nn[n-]n2)c1 ZINC000822718944 607010203 /nfs/dbraw/zinc/01/02/03/607010203.db2.gz WEVSDHKMZQRKBM-UHFFFAOYSA-N -1 3 304.297 2.538 20 0 DFADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000823070966 607012813 /nfs/dbraw/zinc/01/28/13/607012813.db2.gz VGMWAIQWEUYEKE-UHFFFAOYSA-N -1 3 314.345 2.981 20 0 DFADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000823070966 607012814 /nfs/dbraw/zinc/01/28/14/607012814.db2.gz VGMWAIQWEUYEKE-UHFFFAOYSA-N -1 3 314.345 2.981 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000821757001 607035190 /nfs/dbraw/zinc/03/51/90/607035190.db2.gz SXNRJWFAJBCZIH-GHMZBOCLSA-N -1 3 315.377 2.640 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000821757001 607035191 /nfs/dbraw/zinc/03/51/91/607035191.db2.gz SXNRJWFAJBCZIH-GHMZBOCLSA-N -1 3 315.377 2.640 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820684781 607090360 /nfs/dbraw/zinc/09/03/60/607090360.db2.gz SDSVDDHCYWSCDF-AAEUAGOBSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820684781 607090362 /nfs/dbraw/zinc/09/03/62/607090362.db2.gz SDSVDDHCYWSCDF-AAEUAGOBSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820686552 607090649 /nfs/dbraw/zinc/09/06/49/607090649.db2.gz YERKFRYNTZKQED-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820686552 607090650 /nfs/dbraw/zinc/09/06/50/607090650.db2.gz YERKFRYNTZKQED-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM CCC(CC)CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820893942 607091139 /nfs/dbraw/zinc/09/11/39/607091139.db2.gz YKZHWERKHLNZPW-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CCC(CC)CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820893942 607091140 /nfs/dbraw/zinc/09/11/40/607091140.db2.gz YKZHWERKHLNZPW-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820683542 607093054 /nfs/dbraw/zinc/09/30/54/607093054.db2.gz CUHQUTKFLONNKU-UWVGGRQHSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820683542 607093057 /nfs/dbraw/zinc/09/30/57/607093057.db2.gz CUHQUTKFLONNKU-UWVGGRQHSA-N -1 3 303.341 2.771 20 0 DFADHM CC[C@H](C)COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820870638 607119637 /nfs/dbraw/zinc/11/96/37/607119637.db2.gz WOEJAJIAEDJWNT-NSHDSACASA-N -1 3 318.377 2.613 20 0 DFADHM CC[C@H](C)COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820870638 607119638 /nfs/dbraw/zinc/11/96/38/607119638.db2.gz WOEJAJIAEDJWNT-NSHDSACASA-N -1 3 318.377 2.613 20 0 DFADHM COc1cccc(CCCNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821869029 607124412 /nfs/dbraw/zinc/12/44/12/607124412.db2.gz YVRMLQQZRINXOQ-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM COc1cccc(CCCNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821869029 607124413 /nfs/dbraw/zinc/12/44/13/607124413.db2.gz YVRMLQQZRINXOQ-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM CC(C)c1cc(Oc2ccc(-c3nnn[n-]3)cc2F)ncn1 ZINC000820187604 607128414 /nfs/dbraw/zinc/12/84/14/607128414.db2.gz JICLSPCLQOSGRR-UHFFFAOYSA-N -1 3 300.297 2.712 20 0 DFADHM CC(C)c1cc(Oc2ccc(-c3nn[n-]n3)cc2F)ncn1 ZINC000820187604 607128416 /nfs/dbraw/zinc/12/84/16/607128416.db2.gz JICLSPCLQOSGRR-UHFFFAOYSA-N -1 3 300.297 2.712 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1Oc1ncnc2ccsc21 ZINC000822748086 607128769 /nfs/dbraw/zinc/12/87/69/607128769.db2.gz GZGCMFKZLYXVIM-UHFFFAOYSA-N -1 3 314.305 2.803 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2ccsc21 ZINC000822748086 607128770 /nfs/dbraw/zinc/12/87/70/607128770.db2.gz GZGCMFKZLYXVIM-UHFFFAOYSA-N -1 3 314.305 2.803 20 0 DFADHM CC1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CC1 ZINC000820577292 607148541 /nfs/dbraw/zinc/14/85/41/607148541.db2.gz NOHRCORFAAOFGQ-UHFFFAOYSA-N -1 3 303.391 2.546 20 0 DFADHM CC1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CC1 ZINC000820577292 607148543 /nfs/dbraw/zinc/14/85/43/607148543.db2.gz NOHRCORFAAOFGQ-UHFFFAOYSA-N -1 3 303.391 2.546 20 0 DFADHM CC(C)CC[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820072469 607163663 /nfs/dbraw/zinc/16/36/63/607163663.db2.gz HBTDANZMBMBKMX-OAHLLOKOSA-N -1 3 313.405 2.908 20 0 DFADHM CC(C)CC[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820072469 607163666 /nfs/dbraw/zinc/16/36/66/607163666.db2.gz HBTDANZMBMBKMX-OAHLLOKOSA-N -1 3 313.405 2.908 20 0 DFADHM COCC[C@H](C)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821685501 607172794 /nfs/dbraw/zinc/17/27/94/607172794.db2.gz GERZXTWMHKNWBO-QMMMGPOBSA-N -1 3 315.299 2.722 20 0 DFADHM COCC[C@H](C)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821685501 607172793 /nfs/dbraw/zinc/17/27/93/607172793.db2.gz GERZXTWMHKNWBO-QMMMGPOBSA-N -1 3 315.299 2.722 20 0 DFADHM O=C(C[C@H]1C=CCC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822940865 607190869 /nfs/dbraw/zinc/19/08/69/607190869.db2.gz HUJXQMXHMGNWMV-VIFPVBQESA-N -1 3 303.753 2.815 20 0 DFADHM O=C(C[C@H]1C=CCC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822940865 607190870 /nfs/dbraw/zinc/19/08/70/607190870.db2.gz HUJXQMXHMGNWMV-VIFPVBQESA-N -1 3 303.753 2.815 20 0 DFADHM O=C(NCCCC1CC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823187151 607197511 /nfs/dbraw/zinc/19/75/11/607197511.db2.gz DBFXZADLXONEKH-UHFFFAOYSA-N -1 3 320.784 2.832 20 0 DFADHM O=C(NCCCC1CC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823187151 607197512 /nfs/dbraw/zinc/19/75/12/607197512.db2.gz DBFXZADLXONEKH-UHFFFAOYSA-N -1 3 320.784 2.832 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1C[C@@H]2CCC[C@@H]21 ZINC000823313911 607198362 /nfs/dbraw/zinc/19/83/62/607198362.db2.gz LVAMLZWRWHDSGO-CABZTGNLSA-N -1 3 318.768 2.536 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1C[C@@H]2CCC[C@@H]21 ZINC000823313911 607198363 /nfs/dbraw/zinc/19/83/63/607198363.db2.gz LVAMLZWRWHDSGO-CABZTGNLSA-N -1 3 318.768 2.536 20 0 DFADHM CC(C)[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820017188 607201544 /nfs/dbraw/zinc/20/15/44/607201544.db2.gz UHQCJDFCDNPUQC-QMMMGPOBSA-N -1 3 308.773 2.686 20 0 DFADHM CC(C)[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820017188 607201545 /nfs/dbraw/zinc/20/15/45/607201545.db2.gz UHQCJDFCDNPUQC-QMMMGPOBSA-N -1 3 308.773 2.686 20 0 DFADHM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820684156 607202529 /nfs/dbraw/zinc/20/25/29/607202529.db2.gz MPNOBGJKGBNVBB-RKDXNWHRSA-N -1 3 320.784 2.925 20 0 DFADHM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820684156 607202530 /nfs/dbraw/zinc/20/25/30/607202530.db2.gz MPNOBGJKGBNVBB-RKDXNWHRSA-N -1 3 320.784 2.925 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CC2CCC1CC2 ZINC000822929468 607225333 /nfs/dbraw/zinc/22/53/33/607225333.db2.gz UWTSAEXHZVPDNR-MZXLZQFYSA-N -1 3 323.400 2.575 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CC2CCC1CC2 ZINC000822929468 607225334 /nfs/dbraw/zinc/22/53/34/607225334.db2.gz UWTSAEXHZVPDNR-MZXLZQFYSA-N -1 3 323.400 2.575 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cc3ccccc3[nH]2)n1 ZINC000822214834 607228315 /nfs/dbraw/zinc/22/83/15/607228315.db2.gz AAHPCFQETCWURJ-UHFFFAOYSA-N -1 3 305.345 2.664 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cc3ccccc3[nH]2)n1 ZINC000822214834 607228316 /nfs/dbraw/zinc/22/83/16/607228316.db2.gz AAHPCFQETCWURJ-UHFFFAOYSA-N -1 3 305.345 2.664 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC000819884161 607244018 /nfs/dbraw/zinc/24/40/18/607244018.db2.gz SGGRBKQRWHNFHT-VIFPVBQESA-N -1 3 304.325 2.738 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC000819884161 607244019 /nfs/dbraw/zinc/24/40/19/607244019.db2.gz SGGRBKQRWHNFHT-VIFPVBQESA-N -1 3 304.325 2.738 20 0 DFADHM Cc1cc(F)cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822203520 607244522 /nfs/dbraw/zinc/24/45/22/607244522.db2.gz XWZHWBQZLJFTGN-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1cc(F)cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822203520 607244523 /nfs/dbraw/zinc/24/45/23/607244523.db2.gz XWZHWBQZLJFTGN-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM O=C(C=Cc1cccs1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822935475 607244832 /nfs/dbraw/zinc/24/48/32/607244832.db2.gz LZGAIKBTFYYZPY-XQRVVYSFSA-N -1 3 316.317 2.686 20 0 DFADHM O=C(C=Cc1cccs1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822935475 607244833 /nfs/dbraw/zinc/24/48/33/607244833.db2.gz LZGAIKBTFYYZPY-XQRVVYSFSA-N -1 3 316.317 2.686 20 0 DFADHM CC(C)c1cccnc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824352360 607778475 /nfs/dbraw/zinc/77/84/75/607778475.db2.gz AYWCFUQMTXOQIG-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1cccnc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824352360 607778476 /nfs/dbraw/zinc/77/84/76/607778476.db2.gz AYWCFUQMTXOQIG-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM Cc1oc2ncnc(NCc3ccc(-c4nnn[n-]4)cc3)c2c1C ZINC000826342267 607780862 /nfs/dbraw/zinc/78/08/62/607780862.db2.gz DFLJMYNJANYSKV-UHFFFAOYSA-N -1 3 321.344 2.632 20 0 DFADHM Cc1oc2ncnc(NCc3ccc(-c4nn[n-]n4)cc3)c2c1C ZINC000826342267 607780863 /nfs/dbraw/zinc/78/08/63/607780863.db2.gz DFLJMYNJANYSKV-UHFFFAOYSA-N -1 3 321.344 2.632 20 0 DFADHM CN(C(=O)C=Cc1cccs1)c1ccccc1-c1nnn[n-]1 ZINC000825812584 607786294 /nfs/dbraw/zinc/78/62/94/607786294.db2.gz NSPDDRZJWGQYOI-HJWRWDBZSA-N -1 3 311.370 2.604 20 0 DFADHM CN(C(=O)C=Cc1cccs1)c1ccccc1-c1nn[n-]n1 ZINC000825812584 607786295 /nfs/dbraw/zinc/78/62/95/607786295.db2.gz NSPDDRZJWGQYOI-HJWRWDBZSA-N -1 3 311.370 2.604 20 0 DFADHM Cc1cc(F)cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826268387 607786725 /nfs/dbraw/zinc/78/67/25/607786725.db2.gz VHQFDYUZMXYRFY-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cc(F)cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826268387 607786726 /nfs/dbraw/zinc/78/67/26/607786726.db2.gz VHQFDYUZMXYRFY-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CCCCSCCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825296375 607789699 /nfs/dbraw/zinc/78/96/99/607789699.db2.gz GNRTWVQTSJPSOJ-UHFFFAOYSA-N -1 3 319.434 2.753 20 0 DFADHM CCCCSCCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825296375 607789700 /nfs/dbraw/zinc/78/97/00/607789700.db2.gz GNRTWVQTSJPSOJ-UHFFFAOYSA-N -1 3 319.434 2.753 20 0 DFADHM Cc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)ccc1F ZINC000826257757 607790978 /nfs/dbraw/zinc/79/09/78/607790978.db2.gz OCTNZJDWHZWVRF-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)ccc1F ZINC000826257757 607790979 /nfs/dbraw/zinc/79/09/79/607790979.db2.gz OCTNZJDWHZWVRF-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CCN(C(=O)[C@H](C)c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366496 607799467 /nfs/dbraw/zinc/79/94/67/607799467.db2.gz AKFFYHWWNWZMLC-LLVKDONJSA-N -1 3 311.345 2.616 20 0 DFADHM CCN(C(=O)[C@H](C)c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366496 607799468 /nfs/dbraw/zinc/79/94/68/607799468.db2.gz AKFFYHWWNWZMLC-LLVKDONJSA-N -1 3 311.345 2.616 20 0 DFADHM Cc1cc(Cl)ncc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826267761 607812141 /nfs/dbraw/zinc/81/21/41/607812141.db2.gz VNIJISICHVSWFP-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1cc(Cl)ncc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826267761 607812142 /nfs/dbraw/zinc/81/21/42/607812142.db2.gz VNIJISICHVSWFP-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM CC1(C)C[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824788894 607821326 /nfs/dbraw/zinc/82/13/26/607821326.db2.gz DGIGVNQZKAFXEB-LLVKDONJSA-N -1 3 324.388 2.784 20 0 DFADHM CC1(C)C[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824788894 607821327 /nfs/dbraw/zinc/82/13/27/607821327.db2.gz DGIGVNQZKAFXEB-LLVKDONJSA-N -1 3 324.388 2.784 20 0 DFADHM CCOc1ccccc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825654285 607858675 /nfs/dbraw/zinc/85/86/75/607858675.db2.gz VIFZDJRCGVVTAB-UHFFFAOYSA-N -1 3 309.373 2.902 20 0 DFADHM CCOc1ccccc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825654285 607858676 /nfs/dbraw/zinc/85/86/76/607858676.db2.gz VIFZDJRCGVVTAB-UHFFFAOYSA-N -1 3 309.373 2.902 20 0 DFADHM CCOc1ccccc1N(C)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825654050 607862182 /nfs/dbraw/zinc/86/21/82/607862182.db2.gz NIGWGEBSUFVVIA-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCOc1ccccc1N(C)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825654050 607862183 /nfs/dbraw/zinc/86/21/83/607862183.db2.gz NIGWGEBSUFVVIA-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM Cc1ccccc1[C@H](O)COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000826305904 607874207 /nfs/dbraw/zinc/87/42/07/607874207.db2.gz LSZXNGSSKLRIBP-MRXNPFEDSA-N -1 3 324.384 2.904 20 0 DFADHM O[C@@H](COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000826503993 607878445 /nfs/dbraw/zinc/87/84/45/607878445.db2.gz LBRBPWJVUMRLMQ-ZDUSSCGKSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@@H](COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000826503993 607878446 /nfs/dbraw/zinc/87/84/46/607878446.db2.gz LBRBPWJVUMRLMQ-ZDUSSCGKSA-N -1 3 316.748 2.633 20 0 DFADHM Cc1ccc(-c2nc(Cn3ccc(-c4nnn[n-]4)c3)co2)cc1 ZINC000826273540 607891125 /nfs/dbraw/zinc/89/11/25/607891125.db2.gz IVURYDBAYHMTLJ-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1ccc(-c2nc(Cn3ccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000826273540 607891126 /nfs/dbraw/zinc/89/11/26/607891126.db2.gz IVURYDBAYHMTLJ-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1ccc(-c2cc(Cn3ccc(-c4nnn[n-]4)c3)on2)cc1 ZINC000826273308 607892630 /nfs/dbraw/zinc/89/26/30/607892630.db2.gz YAJGQGKQCPGJSI-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1ccc(-c2cc(Cn3ccc(-c4nn[n-]n4)c3)on2)cc1 ZINC000826273308 607892631 /nfs/dbraw/zinc/89/26/31/607892631.db2.gz YAJGQGKQCPGJSI-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1noc(C)c1CCSc1ccccc1-c1nnn[n-]1 ZINC000826339104 607893433 /nfs/dbraw/zinc/89/34/33/607893433.db2.gz RDNQHXSRUOAQRE-UHFFFAOYSA-N -1 3 301.375 2.806 20 0 DFADHM Cc1noc(C)c1CCSc1ccccc1-c1nn[n-]n1 ZINC000826339104 607893434 /nfs/dbraw/zinc/89/34/34/607893434.db2.gz RDNQHXSRUOAQRE-UHFFFAOYSA-N -1 3 301.375 2.806 20 0 DFADHM COc1cc(C)nc(CSc2ccccc2-c2nnn[n-]2)c1 ZINC000826179009 607931837 /nfs/dbraw/zinc/93/18/37/607931837.db2.gz UXQCTLPVZYLCOO-UHFFFAOYSA-N -1 3 313.386 2.871 20 0 DFADHM COc1cc(C)nc(CSc2ccccc2-c2nn[n-]n2)c1 ZINC000826179009 607931838 /nfs/dbraw/zinc/93/18/38/607931838.db2.gz UXQCTLPVZYLCOO-UHFFFAOYSA-N -1 3 313.386 2.871 20 0 DFADHM c1ccc2oc(N3CCc4ccc(-c5nnn[n-]5)cc43)nc2c1 ZINC000826524373 607936369 /nfs/dbraw/zinc/93/63/69/607936369.db2.gz SIHIWZHMTHRGCH-UHFFFAOYSA-N -1 3 304.313 2.702 20 0 DFADHM c1ccc2oc(N3CCc4ccc(-c5nn[n-]n5)cc43)nc2c1 ZINC000826524373 607936370 /nfs/dbraw/zinc/93/63/70/607936370.db2.gz SIHIWZHMTHRGCH-UHFFFAOYSA-N -1 3 304.313 2.702 20 0 DFADHM O=C(C=C(C1CC1)C1CC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398706 607945935 /nfs/dbraw/zinc/94/59/35/607945935.db2.gz CSMVDMVDSTXNOQ-UHFFFAOYSA-N -1 3 321.384 2.502 20 0 DFADHM O=C(C=C(C1CC1)C1CC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398706 607945936 /nfs/dbraw/zinc/94/59/36/607945936.db2.gz CSMVDMVDSTXNOQ-UHFFFAOYSA-N -1 3 321.384 2.502 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824927852 607945950 /nfs/dbraw/zinc/94/59/50/607945950.db2.gz QVWKDDUSPPEONF-FZMZJTMJSA-N -1 3 311.389 2.582 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824927852 607945951 /nfs/dbraw/zinc/94/59/51/607945951.db2.gz QVWKDDUSPPEONF-FZMZJTMJSA-N -1 3 311.389 2.582 20 0 DFADHM C/C(=C/C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)C(C)(C)C ZINC000823943926 607946227 /nfs/dbraw/zinc/94/62/27/607946227.db2.gz VHXWGOZALLZLBE-LUAWRHEFSA-N -1 3 311.389 2.748 20 0 DFADHM C/C(=C/C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)C(C)(C)C ZINC000823943926 607946228 /nfs/dbraw/zinc/94/62/28/607946228.db2.gz VHXWGOZALLZLBE-LUAWRHEFSA-N -1 3 311.389 2.748 20 0 DFADHM CC(C)C[C@H](C)CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824228405 607954560 /nfs/dbraw/zinc/95/45/60/607954560.db2.gz HYNZVAWPGAJQQM-LBPRGKRZSA-N -1 3 313.405 2.828 20 0 DFADHM CC(C)C[C@H](C)CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824228405 607954561 /nfs/dbraw/zinc/95/45/61/607954561.db2.gz HYNZVAWPGAJQQM-LBPRGKRZSA-N -1 3 313.405 2.828 20 0 DFADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(O)cc1 ZINC000825353336 607974941 /nfs/dbraw/zinc/97/49/41/607974941.db2.gz VTTCCIDRJUYZNV-UHFFFAOYSA-N -1 3 320.356 2.999 20 0 DFADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(O)cc1 ZINC000825353336 607974942 /nfs/dbraw/zinc/97/49/42/607974942.db2.gz VTTCCIDRJUYZNV-UHFFFAOYSA-N -1 3 320.356 2.999 20 0 DFADHM CC1CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000824962570 607987814 /nfs/dbraw/zinc/98/78/14/607987814.db2.gz VSHYEZVRCAOMCY-UHFFFAOYSA-N -1 3 322.210 2.866 20 0 DFADHM Cc1ccc(O)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826291345 607996218 /nfs/dbraw/zinc/99/62/18/607996218.db2.gz AWCMIVHCVXUERB-CLFYSBASSA-N -1 3 321.340 2.533 20 0 DFADHM Cc1ccc(O)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826291345 607996219 /nfs/dbraw/zinc/99/62/19/607996219.db2.gz AWCMIVHCVXUERB-CLFYSBASSA-N -1 3 321.340 2.533 20 0 DFADHM c1nn(-c2ccccc2)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000826519485 608058786 /nfs/dbraw/zinc/05/87/86/608058786.db2.gz AIUZHPRTEOYDFI-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM c1nn(-c2ccccc2)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000826519485 608058787 /nfs/dbraw/zinc/05/87/87/608058787.db2.gz AIUZHPRTEOYDFI-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM C[C@H](Nc1nc2ccccc2n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000824662882 608097608 /nfs/dbraw/zinc/09/76/08/608097608.db2.gz SVDJNBAJKZVLFX-NSHDSACASA-N -1 3 319.372 2.927 20 0 DFADHM CCC[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000825224955 608114463 /nfs/dbraw/zinc/11/44/63/608114463.db2.gz HZFSSGDYSLNYMV-CYBMUJFWSA-N -1 3 319.384 2.694 20 0 DFADHM CCC[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000825224955 608114464 /nfs/dbraw/zinc/11/44/64/608114464.db2.gz HZFSSGDYSLNYMV-CYBMUJFWSA-N -1 3 319.384 2.694 20 0 DFADHM CCC[C@@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825225097 608120339 /nfs/dbraw/zinc/12/03/39/608120339.db2.gz LKBLQSULWDNYJK-CQSZACIVSA-N -1 3 301.394 2.902 20 0 DFADHM CCC[C@@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825225097 608120340 /nfs/dbraw/zinc/12/03/40/608120340.db2.gz LKBLQSULWDNYJK-CQSZACIVSA-N -1 3 301.394 2.902 20 0 DFADHM C[C@H](OC(=O)[C@@H]1CCC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000824712723 608141733 /nfs/dbraw/zinc/14/17/33/608141733.db2.gz CANACKXAQDILLA-COPLHBTASA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H](OC(=O)[C@@H]1CCC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000824712723 608141734 /nfs/dbraw/zinc/14/17/34/608141734.db2.gz CANACKXAQDILLA-COPLHBTASA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H](C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826232118 608141931 /nfs/dbraw/zinc/14/19/31/608141931.db2.gz OXVPKMXXJZTKMJ-LBPRGKRZSA-N -1 3 308.341 2.714 20 0 DFADHM C[C@H](C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826232118 608141932 /nfs/dbraw/zinc/14/19/32/608141932.db2.gz OXVPKMXXJZTKMJ-LBPRGKRZSA-N -1 3 308.341 2.714 20 0 DFADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826232192 608141967 /nfs/dbraw/zinc/14/19/67/608141967.db2.gz ZFKUGIOXRXWWEU-LBPRGKRZSA-N -1 3 308.341 2.714 20 0 DFADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826232192 608141968 /nfs/dbraw/zinc/14/19/68/608141968.db2.gz ZFKUGIOXRXWWEU-LBPRGKRZSA-N -1 3 308.341 2.714 20 0 DFADHM Cc1nnc([C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826335333 608144231 /nfs/dbraw/zinc/14/42/31/608144231.db2.gz JDFWJKAYSYJSHN-SSDOTTSWSA-N -1 3 304.404 2.880 20 0 DFADHM Cc1nnc([C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826335333 608144232 /nfs/dbraw/zinc/14/42/32/608144232.db2.gz JDFWJKAYSYJSHN-SSDOTTSWSA-N -1 3 304.404 2.880 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(F)cc1C ZINC000826184662 608153604 /nfs/dbraw/zinc/15/36/04/608153604.db2.gz GLRIIVYPQZTIPR-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(F)cc1C ZINC000826184662 608153605 /nfs/dbraw/zinc/15/36/05/608153605.db2.gz GLRIIVYPQZTIPR-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM CCC[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825224965 608157638 /nfs/dbraw/zinc/15/76/38/608157638.db2.gz IFVLKXSMLZRWOK-CQSZACIVSA-N -1 3 301.394 2.902 20 0 DFADHM CCC[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825224965 608157640 /nfs/dbraw/zinc/15/76/40/608157640.db2.gz IFVLKXSMLZRWOK-CQSZACIVSA-N -1 3 301.394 2.902 20 0 DFADHM COc1ccccc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826219292 608184369 /nfs/dbraw/zinc/18/43/69/608184369.db2.gz XOYYMWGURQQYOL-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM COc1ccccc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826219292 608184371 /nfs/dbraw/zinc/18/43/71/608184371.db2.gz XOYYMWGURQQYOL-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM Cc1ocnc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826343122 608193117 /nfs/dbraw/zinc/19/31/17/608193117.db2.gz MYZXXXLOXQMEBF-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM CCC1(CC)[C@H](Nc2ncccc2-c2nnn[n-]2)[C@H](C)[C@@H]1OC ZINC000825171421 608197269 /nfs/dbraw/zinc/19/72/69/608197269.db2.gz PBOSRNCXRLRCJI-UHTWSYAYSA-N -1 3 316.409 2.513 20 0 DFADHM CCC1(CC)[C@H](Nc2ncccc2-c2nn[n-]n2)[C@H](C)[C@@H]1OC ZINC000825171421 608197271 /nfs/dbraw/zinc/19/72/71/608197271.db2.gz PBOSRNCXRLRCJI-UHTWSYAYSA-N -1 3 316.409 2.513 20 0 DFADHM CCC1(CC)[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@H](C)[C@@H]1OC ZINC000825170983 608197289 /nfs/dbraw/zinc/19/72/89/608197289.db2.gz LIFQUIWQYATFTD-GDLCADMTSA-N -1 3 316.409 2.513 20 0 DFADHM CCC1(CC)[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@H](C)[C@@H]1OC ZINC000825170983 608197291 /nfs/dbraw/zinc/19/72/91/608197291.db2.gz LIFQUIWQYATFTD-GDLCADMTSA-N -1 3 316.409 2.513 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ncc(C)s1 ZINC000825608649 608218534 /nfs/dbraw/zinc/21/85/34/608218534.db2.gz BACXHAPDHLVALN-UHFFFAOYSA-N -1 3 317.374 2.609 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ncc(C)s1 ZINC000825608649 608218535 /nfs/dbraw/zinc/21/85/35/608218535.db2.gz BACXHAPDHLVALN-UHFFFAOYSA-N -1 3 317.374 2.609 20 0 DFADHM CC(C)[C@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000824224641 608231445 /nfs/dbraw/zinc/23/14/45/608231445.db2.gz PIFAXHLUAZUUEX-AWEZNQCLSA-N -1 3 308.389 2.897 20 0 DFADHM CC(C)[C@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000824224641 608231448 /nfs/dbraw/zinc/23/14/48/608231448.db2.gz PIFAXHLUAZUUEX-AWEZNQCLSA-N -1 3 308.389 2.897 20 0 DFADHM CCC1(O)CCC(Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825176623 608239315 /nfs/dbraw/zinc/23/93/15/608239315.db2.gz ZTFPRNXPRDGVBF-UHFFFAOYSA-N -1 3 305.357 2.501 20 0 DFADHM CCC1(O)CCC(Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825176623 608239317 /nfs/dbraw/zinc/23/93/17/608239317.db2.gz ZTFPRNXPRDGVBF-UHFFFAOYSA-N -1 3 305.357 2.501 20 0 DFADHM CC(C)[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824213436 608242236 /nfs/dbraw/zinc/24/22/36/608242236.db2.gz BFBWKFRMQSFQPY-CMPLNLGQSA-N -1 3 322.800 2.531 20 0 DFADHM CC(C)[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824213436 608242238 /nfs/dbraw/zinc/24/22/38/608242238.db2.gz BFBWKFRMQSFQPY-CMPLNLGQSA-N -1 3 322.800 2.531 20 0 DFADHM CC(C)[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824217206 608242850 /nfs/dbraw/zinc/24/28/50/608242850.db2.gz ZERVYWBNWOFVPF-GXFFZTMASA-N -1 3 305.357 2.621 20 0 DFADHM CC(C)[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824217206 608242852 /nfs/dbraw/zinc/24/28/52/608242852.db2.gz ZERVYWBNWOFVPF-GXFFZTMASA-N -1 3 305.357 2.621 20 0 DFADHM O=C(Nc1ccc(C2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826453266 608245446 /nfs/dbraw/zinc/24/54/46/608245446.db2.gz CZXHFGNMJPPICC-UHFFFAOYSA-N -1 3 305.341 2.996 20 0 DFADHM O=C(Nc1ccc(C2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826453266 608245447 /nfs/dbraw/zinc/24/54/47/608245447.db2.gz CZXHFGNMJPPICC-UHFFFAOYSA-N -1 3 305.341 2.996 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825194737 608245916 /nfs/dbraw/zinc/24/59/16/608245916.db2.gz SLBCHROTDNBWAK-SRHJZDPESA-N -1 3 311.389 2.669 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825194737 608245918 /nfs/dbraw/zinc/24/59/18/608245918.db2.gz SLBCHROTDNBWAK-SRHJZDPESA-N -1 3 311.389 2.669 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1ccco1 ZINC000826173456 608261143 /nfs/dbraw/zinc/26/11/43/608261143.db2.gz FFFKABWYAKDVPO-UHFFFAOYSA-N -1 3 302.359 2.902 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1ccco1 ZINC000826173456 608261145 /nfs/dbraw/zinc/26/11/45/608261145.db2.gz FFFKABWYAKDVPO-UHFFFAOYSA-N -1 3 302.359 2.902 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825192487 608262006 /nfs/dbraw/zinc/26/20/06/608262006.db2.gz HKSOQTRPBHOIEU-AAEUAGOBSA-N -1 3 314.393 2.970 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825192487 608262008 /nfs/dbraw/zinc/26/20/08/608262008.db2.gz HKSOQTRPBHOIEU-AAEUAGOBSA-N -1 3 314.393 2.970 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000826278006 608274595 /nfs/dbraw/zinc/27/45/95/608274595.db2.gz OHEADTOPNYRHRR-ZYHUDNBSSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000826278006 608274597 /nfs/dbraw/zinc/27/45/97/608274597.db2.gz OHEADTOPNYRHRR-ZYHUDNBSSA-N -1 3 314.393 2.685 20 0 DFADHM C[C@@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000824946989 608278402 /nfs/dbraw/zinc/27/84/02/608278402.db2.gz LVJQYYQRBVSSFQ-GFCCVEGCSA-N -1 3 312.421 2.767 20 0 DFADHM C[C@@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000824946989 608278404 /nfs/dbraw/zinc/27/84/04/608278404.db2.gz LVJQYYQRBVSSFQ-GFCCVEGCSA-N -1 3 312.421 2.767 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)c2nc3ccccc3[nH]2)n1 ZINC000826275063 608278906 /nfs/dbraw/zinc/27/89/06/608278906.db2.gz MYIKVGUJYILSNH-JTQLQIEISA-N -1 3 320.360 2.620 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)c2nc3ccccc3[nH]2)n1 ZINC000826275063 608278908 /nfs/dbraw/zinc/27/89/08/608278908.db2.gz MYIKVGUJYILSNH-JTQLQIEISA-N -1 3 320.360 2.620 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCCc2cccc(F)c2)n1 ZINC000826276731 608287463 /nfs/dbraw/zinc/28/74/63/608287463.db2.gz UEBPOQHSILYQSX-UHFFFAOYSA-N -1 3 312.352 2.754 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCCc2cccc(F)c2)n1 ZINC000826276731 608287464 /nfs/dbraw/zinc/28/74/64/608287464.db2.gz UEBPOQHSILYQSX-UHFFFAOYSA-N -1 3 312.352 2.754 20 0 DFADHM c1c2c(nc(N3CCC4(CCCC4)C3)c1-c1nnn[n-]1)CCCC2 ZINC000826512207 608293085 /nfs/dbraw/zinc/29/30/85/608293085.db2.gz SMQOTNLGVAZXHL-UHFFFAOYSA-N -1 3 324.432 2.911 20 0 DFADHM c1c2c(nc(N3CCC4(CCCC4)C3)c1-c1nn[n-]n1)CCCC2 ZINC000826512207 608293086 /nfs/dbraw/zinc/29/30/86/608293086.db2.gz SMQOTNLGVAZXHL-UHFFFAOYSA-N -1 3 324.432 2.911 20 0 DFADHM c1c2c(nc(N3C[C@H]4CCCC[C@@H]4C3)c1-c1nnn[n-]1)CCCC2 ZINC000826512039 608294901 /nfs/dbraw/zinc/29/49/01/608294901.db2.gz MQIXVYFSHUQGRH-ZIAGYGMSSA-N -1 3 324.432 2.767 20 0 DFADHM c1c2c(nc(N3C[C@H]4CCCC[C@@H]4C3)c1-c1nn[n-]n1)CCCC2 ZINC000826512039 608294902 /nfs/dbraw/zinc/29/49/02/608294902.db2.gz MQIXVYFSHUQGRH-ZIAGYGMSSA-N -1 3 324.432 2.767 20 0 DFADHM c1cc(N2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC000826517040 608297189 /nfs/dbraw/zinc/29/71/89/608297189.db2.gz NFEXWOJQUBBTGY-KGLIPLIRSA-N -1 3 313.405 2.510 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)[C@H]2COc3ccccc32)n1 ZINC000826274972 608300321 /nfs/dbraw/zinc/30/03/21/608300321.db2.gz KMDINVGSJWRPMP-SMDDNHRTSA-N -1 3 322.372 2.547 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)[C@H]2COc3ccccc32)n1 ZINC000826274972 608300323 /nfs/dbraw/zinc/30/03/23/608300323.db2.gz KMDINVGSJWRPMP-SMDDNHRTSA-N -1 3 322.372 2.547 20 0 DFADHM CS[C@H](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826226419 608301303 /nfs/dbraw/zinc/30/13/03/608301303.db2.gz ZAOCPTMKZLLXHB-SECBINFHSA-N -1 3 305.407 2.645 20 0 DFADHM CS[C@H](C)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826226419 608301305 /nfs/dbraw/zinc/30/13/05/608301305.db2.gz ZAOCPTMKZLLXHB-SECBINFHSA-N -1 3 305.407 2.645 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(F)cc1C ZINC000826170716 608319708 /nfs/dbraw/zinc/31/97/08/608319708.db2.gz MSVKOGOQRLNDOF-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(F)cc1C ZINC000826170716 608319710 /nfs/dbraw/zinc/31/97/10/608319710.db2.gz MSVKOGOQRLNDOF-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Cc1scc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826350068 608324498 /nfs/dbraw/zinc/32/44/98/608324498.db2.gz GVHCSSLTXLKEAL-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM Cc1scc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826350068 608324501 /nfs/dbraw/zinc/32/45/01/608324501.db2.gz GVHCSSLTXLKEAL-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1ccsc1 ZINC000826167871 608351893 /nfs/dbraw/zinc/35/18/93/608351893.db2.gz UFTCHSCGKSBOCX-UHFFFAOYSA-N -1 3 315.402 2.569 20 0 DFADHM CCN(Cc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000825428954 608370657 /nfs/dbraw/zinc/37/06/57/608370657.db2.gz WMXLVOCLLUQDDG-UHFFFAOYSA-N -1 3 309.373 2.902 20 0 DFADHM CCN(Cc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000825428954 608370659 /nfs/dbraw/zinc/37/06/59/608370659.db2.gz WMXLVOCLLUQDDG-UHFFFAOYSA-N -1 3 309.373 2.902 20 0 DFADHM OC1(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CCCCC1 ZINC000826506194 608376085 /nfs/dbraw/zinc/37/60/85/608376085.db2.gz ONKUOBFFZWUBFC-UHFFFAOYSA-N -1 3 324.388 2.522 20 0 DFADHM OC1(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CCCCC1 ZINC000826506194 608376087 /nfs/dbraw/zinc/37/60/87/608376087.db2.gz ONKUOBFFZWUBFC-UHFFFAOYSA-N -1 3 324.388 2.522 20 0 DFADHM CCN(c1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1)C(C)C ZINC000825443410 608388319 /nfs/dbraw/zinc/38/83/19/608388319.db2.gz BWJAVPVBFDAZBY-UHFFFAOYSA-N -1 3 324.392 2.635 20 0 DFADHM CCN(c1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1)C(C)C ZINC000825443410 608388321 /nfs/dbraw/zinc/38/83/21/608388321.db2.gz BWJAVPVBFDAZBY-UHFFFAOYSA-N -1 3 324.392 2.635 20 0 DFADHM Fc1c(CN2CC[C@@H]2c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826370816 608399939 /nfs/dbraw/zinc/39/99/39/608399939.db2.gz IPSFTMYFXLVNGT-OAHLLOKOSA-N -1 3 309.348 2.953 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824907579 608450914 /nfs/dbraw/zinc/45/09/14/608450914.db2.gz JDUFJNOKWJPULD-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824907579 608450915 /nfs/dbraw/zinc/45/09/15/608450915.db2.gz JDUFJNOKWJPULD-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1CC ZINC000825712173 608472435 /nfs/dbraw/zinc/47/24/35/608472435.db2.gz LPXVAWBLHXTCIR-UHFFFAOYSA-N -1 3 310.361 2.572 20 0 DFADHM CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1CC ZINC000825712173 608472436 /nfs/dbraw/zinc/47/24/36/608472436.db2.gz LPXVAWBLHXTCIR-UHFFFAOYSA-N -1 3 310.361 2.572 20 0 DFADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cscn1 ZINC000824531986 608492614 /nfs/dbraw/zinc/49/26/14/608492614.db2.gz SDKZXULPVPBVDP-UWVGGRQHSA-N -1 3 300.391 2.735 20 0 DFADHM c1csc(CN(Cc2ccc(-c3nnn[n-]3)o2)C2CC2)c1 ZINC000826526196 608523478 /nfs/dbraw/zinc/52/34/78/608523478.db2.gz OPJIUQURIOWPSY-UHFFFAOYSA-N -1 3 301.375 2.686 20 0 DFADHM Fc1cccnc1CN[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826378398 608525184 /nfs/dbraw/zinc/52/51/84/608525184.db2.gz IJOXXHAFXBGDJI-HNNXBMFYSA-N -1 3 324.363 2.568 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)nc1NCCc1cccc(Cl)c1 ZINC000826280665 608540891 /nfs/dbraw/zinc/54/08/91/608540891.db2.gz LISPPPSVPWUXMY-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM CC1(C)CC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824801701 608543741 /nfs/dbraw/zinc/54/37/41/608543741.db2.gz GUFJLRNBKBTXNR-GFCCVEGCSA-N -1 3 300.366 2.567 20 0 DFADHM CC1(C)CC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801701 608543742 /nfs/dbraw/zinc/54/37/42/608543742.db2.gz GUFJLRNBKBTXNR-GFCCVEGCSA-N -1 3 300.366 2.567 20 0 DFADHM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825829647 608573655 /nfs/dbraw/zinc/57/36/55/608573655.db2.gz IEDFRFWLOJBLKH-UHFFFAOYSA-N -1 3 313.748 2.797 20 0 DFADHM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825829647 608573656 /nfs/dbraw/zinc/57/36/56/608573656.db2.gz IEDFRFWLOJBLKH-UHFFFAOYSA-N -1 3 313.748 2.797 20 0 DFADHM Cc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1F ZINC000826298702 608591575 /nfs/dbraw/zinc/59/15/75/608591575.db2.gz DRRIIKUZXFIPIR-MDZDMXLPSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1F ZINC000826298702 608591576 /nfs/dbraw/zinc/59/15/76/608591576.db2.gz DRRIIKUZXFIPIR-MDZDMXLPSA-N -1 3 323.331 2.966 20 0 DFADHM CC(C)CN(Cc1cc(-c2nnn[n-]2)cs1)CC(F)(F)F ZINC000824255445 608599372 /nfs/dbraw/zinc/59/93/72/608599372.db2.gz KBHLUMRVWGEYBC-UHFFFAOYSA-N -1 3 319.356 2.949 20 0 DFADHM CC(C)CN(Cc1cc(-c2nn[n-]n2)cs1)CC(F)(F)F ZINC000824255445 608599376 /nfs/dbraw/zinc/59/93/76/608599376.db2.gz KBHLUMRVWGEYBC-UHFFFAOYSA-N -1 3 319.356 2.949 20 0 DFADHM C[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)[C@H]1C ZINC000824936512 608600125 /nfs/dbraw/zinc/60/01/25/608600125.db2.gz IJQJQAIGAOWPSB-UWVGGRQHSA-N -1 3 318.356 2.658 20 0 DFADHM C[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)[C@H]1C ZINC000824936512 608600129 /nfs/dbraw/zinc/60/01/29/608600129.db2.gz IJQJQAIGAOWPSB-UWVGGRQHSA-N -1 3 318.356 2.658 20 0 DFADHM Cc1cc([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)s2)on1 ZINC000826265591 608601329 /nfs/dbraw/zinc/60/13/29/608601329.db2.gz GJTCRDQHMHFCBR-LLVKDONJSA-N -1 3 316.390 2.562 20 0 DFADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccn1 ZINC000824296871 608611672 /nfs/dbraw/zinc/61/16/72/608611672.db2.gz LNOMXADKUKYAPK-UHFFFAOYSA-N -1 3 314.418 2.734 20 0 DFADHM O=C(Oc1c(F)cccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000826467757 608672815 /nfs/dbraw/zinc/67/28/15/608672815.db2.gz KQLIOIFESMAIJY-UHFFFAOYSA-N -1 3 324.724 2.940 20 0 DFADHM O=C(Oc1c(F)cccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000826467757 608672816 /nfs/dbraw/zinc/67/28/16/608672816.db2.gz KQLIOIFESMAIJY-UHFFFAOYSA-N -1 3 324.724 2.940 20 0 DFADHM Fc1ccc2c(c1)CN(Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000826376225 608699613 /nfs/dbraw/zinc/69/96/13/608699613.db2.gz UBSBKRSFBQMSBT-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1ccc2c(c1)CN(Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000826376225 608699615 /nfs/dbraw/zinc/69/96/15/608699615.db2.gz UBSBKRSFBQMSBT-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)o2)Cc2ccccc21 ZINC000824808466 608703377 /nfs/dbraw/zinc/70/33/77/608703377.db2.gz SNSYWNWRYMVZTR-UHFFFAOYSA-N -1 3 309.373 2.753 20 0 DFADHM Cc1ccc(SCCNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826293179 608769227 /nfs/dbraw/zinc/76/92/27/608769227.db2.gz DVJXCMGPQBXEHH-UHFFFAOYSA-N -1 3 312.402 2.774 20 0 DFADHM Cc1ccc(SCCNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826293179 608769232 /nfs/dbraw/zinc/76/92/32/608769232.db2.gz DVJXCMGPQBXEHH-UHFFFAOYSA-N -1 3 312.402 2.774 20 0 DFADHM COc1c(C)cc(CN(C)c2cnccc2-c2nnn[n-]2)cc1C ZINC000826167066 608779175 /nfs/dbraw/zinc/77/91/75/608779175.db2.gz NUPDOCRPVMUUOH-UHFFFAOYSA-N -1 3 324.388 2.524 20 0 DFADHM COc1c(C)cc(CN(C)c2cnccc2-c2nn[n-]n2)cc1C ZINC000826167066 608779179 /nfs/dbraw/zinc/77/91/79/608779179.db2.gz NUPDOCRPVMUUOH-UHFFFAOYSA-N -1 3 324.388 2.524 20 0 DFADHM CC(C)(C)[C@@H]1CCCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000824078813 608783199 /nfs/dbraw/zinc/78/31/99/608783199.db2.gz KQUJSGZTKHFJTI-GFCCVEGCSA-N -1 3 300.410 2.914 20 0 DFADHM CC(C)(C)[C@@H]1CCCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000824078813 608783201 /nfs/dbraw/zinc/78/32/01/608783201.db2.gz KQUJSGZTKHFJTI-GFCCVEGCSA-N -1 3 300.410 2.914 20 0 DFADHM CCOc1cc(C)ccc1CNc1cnccc1-c1nnn[n-]1 ZINC000825615693 608792042 /nfs/dbraw/zinc/79/20/42/608792042.db2.gz HCPGEQDXTDOTET-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1cc(C)ccc1CNc1cnccc1-c1nn[n-]n1 ZINC000825615693 608792046 /nfs/dbraw/zinc/79/20/46/608792046.db2.gz HCPGEQDXTDOTET-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCCn1nc(C)c(CNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000825362509 608870949 /nfs/dbraw/zinc/87/09/49/608870949.db2.gz MZFVVEZEQPXTLP-UHFFFAOYSA-N -1 3 311.393 2.702 20 0 DFADHM CCCn1nc(C)c(CNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000825362509 608870951 /nfs/dbraw/zinc/87/09/51/608870951.db2.gz MZFVVEZEQPXTLP-UHFFFAOYSA-N -1 3 311.393 2.702 20 0 DFADHM Cc1cnc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826317908 609144929 /nfs/dbraw/zinc/14/49/29/609144929.db2.gz PNNYKGUYBGQCIY-GFCCVEGCSA-N -1 3 323.356 2.797 20 0 DFADHM Cc1cnc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826317908 609144931 /nfs/dbraw/zinc/14/49/31/609144931.db2.gz PNNYKGUYBGQCIY-GFCCVEGCSA-N -1 3 323.356 2.797 20 0 DFADHM Cc1cnc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000826318625 609147397 /nfs/dbraw/zinc/14/73/97/609147397.db2.gz SFDDHDCSJPAHHY-VIFPVBQESA-N -1 3 318.381 2.622 20 0 DFADHM Cc1cnc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000826318625 609147398 /nfs/dbraw/zinc/14/73/98/609147398.db2.gz SFDDHDCSJPAHHY-VIFPVBQESA-N -1 3 318.381 2.622 20 0 DFADHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@H](c2ccco2)C1 ZINC000824962939 609164325 /nfs/dbraw/zinc/16/43/25/609164325.db2.gz YGVRLVRZFDIQKH-RISCZKNCSA-N -1 3 310.361 2.832 20 0 DFADHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@H](c2ccco2)C1 ZINC000824962939 609164327 /nfs/dbraw/zinc/16/43/27/609164327.db2.gz YGVRLVRZFDIQKH-RISCZKNCSA-N -1 3 310.361 2.832 20 0 DFADHM Cc1nc2cc(NCc3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000826328843 609178005 /nfs/dbraw/zinc/17/80/05/609178005.db2.gz GPCIHKSZTMXSMR-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1nc2cc(NCc3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000826328843 609178007 /nfs/dbraw/zinc/17/80/07/609178007.db2.gz GPCIHKSZTMXSMR-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529057 609181742 /nfs/dbraw/zinc/18/17/42/609181742.db2.gz DGMBRRMNCNMPFY-MNOVXSKESA-N -1 3 312.352 2.813 20 0 DFADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824215876 609212284 /nfs/dbraw/zinc/21/22/84/609212284.db2.gz NMHCOJLZQNZHCN-OAHLLOKOSA-N -1 3 324.388 2.664 20 0 DFADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824215876 609212286 /nfs/dbraw/zinc/21/22/86/609212286.db2.gz NMHCOJLZQNZHCN-OAHLLOKOSA-N -1 3 324.388 2.664 20 0 DFADHM CC(C)CC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824244029 609224870 /nfs/dbraw/zinc/22/48/70/609224870.db2.gz PPHSCJXWYSANOH-CYBMUJFWSA-N -1 3 316.409 2.626 20 0 DFADHM CC(C)CC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824244029 609224871 /nfs/dbraw/zinc/22/48/71/609224871.db2.gz PPHSCJXWYSANOH-CYBMUJFWSA-N -1 3 316.409 2.626 20 0 DFADHM C[C@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1nccs1 ZINC000824539849 609248514 /nfs/dbraw/zinc/24/85/14/609248514.db2.gz QDBKIPGSUGOTQA-JTQLQIEISA-N -1 3 312.402 2.663 20 0 DFADHM CC(C)(C)Cc1nnc(NCc2cc(-c3nnn[n-]3)cs2)o1 ZINC000824093735 609265997 /nfs/dbraw/zinc/26/59/97/609265997.db2.gz LXTSHIWDPYIQTH-UHFFFAOYSA-N -1 3 319.394 2.512 20 0 DFADHM CC(C)(C)Cc1nnc(NCc2cc(-c3nn[n-]n3)cs2)o1 ZINC000824093735 609265998 /nfs/dbraw/zinc/26/59/98/609265998.db2.gz LXTSHIWDPYIQTH-UHFFFAOYSA-N -1 3 319.394 2.512 20 0 DFADHM Fc1cc(F)c(NCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000826372691 609278472 /nfs/dbraw/zinc/27/84/72/609278472.db2.gz HXNSEVZMPOVVND-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cc(F)c(NCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826372691 609278474 /nfs/dbraw/zinc/27/84/74/609278474.db2.gz HXNSEVZMPOVVND-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CCc1c(C)sc(NC(=O)COC(C)(C)C)c1-c1nnn[n-]1 ZINC000825688203 609316139 /nfs/dbraw/zinc/31/61/39/609316139.db2.gz SNJYIEKKEKNXOE-UHFFFAOYSA-N -1 3 323.422 2.553 20 0 DFADHM CCc1c(C)sc(NC(=O)COC(C)(C)C)c1-c1nn[n-]n1 ZINC000825688203 609316140 /nfs/dbraw/zinc/31/61/40/609316140.db2.gz SNJYIEKKEKNXOE-UHFFFAOYSA-N -1 3 323.422 2.553 20 0 DFADHM CC1(C)C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C(C)(C)O1 ZINC000824790371 609318815 /nfs/dbraw/zinc/31/88/15/609318815.db2.gz MNGFDWOJPMVBTI-NSHDSACASA-N -1 3 305.357 2.764 20 0 DFADHM CC1(C)C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C(C)(C)O1 ZINC000824790371 609318817 /nfs/dbraw/zinc/31/88/17/609318817.db2.gz MNGFDWOJPMVBTI-NSHDSACASA-N -1 3 305.357 2.764 20 0 DFADHM CC1(C)C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C(C)(C)O1 ZINC000824797441 609318828 /nfs/dbraw/zinc/31/88/28/609318828.db2.gz YJFOSMXWGBSEIF-JTQLQIEISA-N -1 3 322.800 2.673 20 0 DFADHM CC1(C)C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C(C)(C)O1 ZINC000824797441 609318830 /nfs/dbraw/zinc/31/88/30/609318830.db2.gz YJFOSMXWGBSEIF-JTQLQIEISA-N -1 3 322.800 2.673 20 0 DFADHM CN(C[C@H]1CCCC[C@H]1O)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000825907895 609325047 /nfs/dbraw/zinc/32/50/47/609325047.db2.gz CVQCLRCSSODQGJ-ZWNOBZJWSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@H]1CCCC[C@H]1O)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000825907895 609325049 /nfs/dbraw/zinc/32/50/49/609325049.db2.gz CVQCLRCSSODQGJ-ZWNOBZJWSA-N -1 3 321.812 2.507 20 0 DFADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC000826210659 609348563 /nfs/dbraw/zinc/34/85/63/609348563.db2.gz ZPFDLVZUWYTFHT-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC000826210659 609348564 /nfs/dbraw/zinc/34/85/64/609348564.db2.gz ZPFDLVZUWYTFHT-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM CN(C(=O)[C@@H]1CCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825812939 609380822 /nfs/dbraw/zinc/38/08/22/609380822.db2.gz YBWVIEWGBVNYAY-LLVKDONJSA-N -1 3 317.368 2.795 20 0 DFADHM CN(C(=O)[C@@H]1CCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825812939 609380824 /nfs/dbraw/zinc/38/08/24/609380824.db2.gz YBWVIEWGBVNYAY-LLVKDONJSA-N -1 3 317.368 2.795 20 0 DFADHM C[C@H]1CC[C@]2(CCN(C(=O)c3sccc3-c3nnn[n-]3)C2)C1 ZINC000824918363 609397125 /nfs/dbraw/zinc/39/71/25/609397125.db2.gz PRLYASBGAHDDJB-BONVTDFDSA-N -1 3 317.418 2.581 20 0 DFADHM C[C@H]1CC[C@]2(CCN(C(=O)c3sccc3-c3nn[n-]n3)C2)C1 ZINC000824918363 609397128 /nfs/dbraw/zinc/39/71/28/609397128.db2.gz PRLYASBGAHDDJB-BONVTDFDSA-N -1 3 317.418 2.581 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)C1 ZINC000824915949 609412635 /nfs/dbraw/zinc/41/26/35/609412635.db2.gz IXGJGUTYEONFQM-MEBBXXQBSA-N -1 3 317.418 2.581 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)C1 ZINC000824915949 609412637 /nfs/dbraw/zinc/41/26/37/609412637.db2.gz IXGJGUTYEONFQM-MEBBXXQBSA-N -1 3 317.418 2.581 20 0 DFADHM O=C(Oc1ccc2ccccc2c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826468274 609419688 /nfs/dbraw/zinc/41/96/88/609419688.db2.gz JRYUWXMNZWPRHQ-UHFFFAOYSA-N -1 3 305.297 2.567 20 0 DFADHM O=C(Oc1ccc2ccccc2c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826468274 609419690 /nfs/dbraw/zinc/41/96/90/609419690.db2.gz JRYUWXMNZWPRHQ-UHFFFAOYSA-N -1 3 305.297 2.567 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCCCOCC(C)C ZINC000824019768 609420263 /nfs/dbraw/zinc/42/02/63/609420263.db2.gz NRXVDUGFVNWJTL-UHFFFAOYSA-N -1 3 317.393 2.544 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCCCOCC(C)C ZINC000824019768 609420264 /nfs/dbraw/zinc/42/02/64/609420264.db2.gz NRXVDUGFVNWJTL-UHFFFAOYSA-N -1 3 317.393 2.544 20 0 DFADHM OCc1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826510593 609422656 /nfs/dbraw/zinc/42/26/56/609422656.db2.gz ZRKJTAMRWLKUKY-UHFFFAOYSA-N -1 3 316.748 2.591 20 0 DFADHM OCc1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826510593 609422658 /nfs/dbraw/zinc/42/26/58/609422658.db2.gz ZRKJTAMRWLKUKY-UHFFFAOYSA-N -1 3 316.748 2.591 20 0 DFADHM Clc1cc(NCCCCn2ccnc2)ccc1-c1nnn[n-]1 ZINC000826350686 609428669 /nfs/dbraw/zinc/42/86/69/609428669.db2.gz HCWBBPNPXPZETO-UHFFFAOYSA-N -1 3 317.784 2.609 20 0 DFADHM Clc1cc(NCCCCn2ccnc2)ccc1-c1nn[n-]n1 ZINC000826350686 609428670 /nfs/dbraw/zinc/42/86/70/609428670.db2.gz HCWBBPNPXPZETO-UHFFFAOYSA-N -1 3 317.784 2.609 20 0 DFADHM C[C@H](CO)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824440850 609451909 /nfs/dbraw/zinc/45/19/09/609451909.db2.gz JXEGEUBXDWBQKL-SSDOTTSWSA-N -1 3 318.324 2.606 20 0 DFADHM C[C@H](CO)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824440850 609451910 /nfs/dbraw/zinc/45/19/10/609451910.db2.gz JXEGEUBXDWBQKL-SSDOTTSWSA-N -1 3 318.324 2.606 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(O)c1 ZINC000825631606 609476642 /nfs/dbraw/zinc/47/66/42/609476642.db2.gz DKMOEBSJZCNBSU-UHFFFAOYSA-N -1 3 311.345 2.583 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cc(C)ccc1F ZINC000826186169 609481514 /nfs/dbraw/zinc/48/15/14/609481514.db2.gz HYGHZUYSZFZRFC-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)ccc1F ZINC000826186169 609481515 /nfs/dbraw/zinc/48/15/15/609481515.db2.gz HYGHZUYSZFZRFC-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)c(C)c1 ZINC000826186988 609481747 /nfs/dbraw/zinc/48/17/47/609481747.db2.gz UCNUIFYJSNWZMN-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)c(C)c1 ZINC000826186988 609481749 /nfs/dbraw/zinc/48/17/49/609481749.db2.gz UCNUIFYJSNWZMN-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cccc2[nH]ccc21 ZINC000826186954 609484400 /nfs/dbraw/zinc/48/44/00/609484400.db2.gz RRTZHQQYFXBJPO-UHFFFAOYSA-N -1 3 320.356 2.969 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cccc2[nH]ccc21 ZINC000826186954 609484402 /nfs/dbraw/zinc/48/44/02/609484402.db2.gz RRTZHQQYFXBJPO-UHFFFAOYSA-N -1 3 320.356 2.969 20 0 DFADHM CCOc1cccc(CNc2cccc(-c3nnn[n-]3)c2C)n1 ZINC000825649768 609485101 /nfs/dbraw/zinc/48/51/01/609485101.db2.gz XJWLVIPVFZJJSH-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1cccc(CNc2cccc(-c3nn[n-]n3)c2C)n1 ZINC000825649768 609485103 /nfs/dbraw/zinc/48/51/03/609485103.db2.gz XJWLVIPVFZJJSH-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM C[C@@H]1CCC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000824925177 609491855 /nfs/dbraw/zinc/49/18/55/609491855.db2.gz BETZDDJAAUFGBW-ZYHUDNBSSA-N -1 3 316.409 2.798 20 0 DFADHM C[C@@H]1CCC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000824925177 609491857 /nfs/dbraw/zinc/49/18/57/609491857.db2.gz BETZDDJAAUFGBW-ZYHUDNBSSA-N -1 3 316.409 2.798 20 0 DFADHM Cc1ccncc1C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826315664 609500179 /nfs/dbraw/zinc/50/01/79/609500179.db2.gz PKJJYKDVOZQAIJ-WAYWQWQTSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1ccncc1C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826315664 609500181 /nfs/dbraw/zinc/50/01/81/609500181.db2.gz PKJJYKDVOZQAIJ-WAYWQWQTSA-N -1 3 320.356 2.530 20 0 DFADHM COc1ccc(COc2cccc(C)c2F)cc1-c1nnn[n-]1 ZINC000826207224 609522194 /nfs/dbraw/zinc/52/21/94/609522194.db2.gz FTPDLNKULKRORK-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(COc2cccc(C)c2F)cc1-c1nn[n-]n1 ZINC000826207224 609522195 /nfs/dbraw/zinc/52/21/95/609522195.db2.gz FTPDLNKULKRORK-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM Cc1c(Cl)cnc(NCc2ccsc2)c1-c1nnn[n-]1 ZINC000826240412 609535027 /nfs/dbraw/zinc/53/50/27/609535027.db2.gz RCOCPLBSOJRDJF-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1c(Cl)cnc(NCc2ccsc2)c1-c1nn[n-]n1 ZINC000826240412 609535029 /nfs/dbraw/zinc/53/50/29/609535029.db2.gz RCOCPLBSOJRDJF-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM CSc1ccc(CNc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826230699 609539904 /nfs/dbraw/zinc/53/99/04/609539904.db2.gz GBGJDMNBNZADNE-UHFFFAOYSA-N -1 3 312.402 2.904 20 0 DFADHM CSc1ccc(CNc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826230699 609539905 /nfs/dbraw/zinc/53/99/05/609539905.db2.gz GBGJDMNBNZADNE-UHFFFAOYSA-N -1 3 312.402 2.904 20 0 DFADHM Cc1c(Cl)cnc(NCCOCCC(C)C)c1-c1nnn[n-]1 ZINC000826240251 609541463 /nfs/dbraw/zinc/54/14/63/609541463.db2.gz KFQFSLTYYGLQSR-UHFFFAOYSA-N -1 3 324.816 2.698 20 0 DFADHM Cc1c(Cl)cnc(NCCOCCC(C)C)c1-c1nn[n-]n1 ZINC000826240251 609541464 /nfs/dbraw/zinc/54/14/64/609541464.db2.gz KFQFSLTYYGLQSR-UHFFFAOYSA-N -1 3 324.816 2.698 20 0 DFADHM Cc1c(Cl)cnc(N(C)C(C2CC2)C2CC2)c1-c1nnn[n-]1 ZINC000826236766 609542157 /nfs/dbraw/zinc/54/21/57/609542157.db2.gz BRCOQYHRJDTPHO-UHFFFAOYSA-N -1 3 318.812 2.848 20 0 DFADHM Cc1c(Cl)cnc(N(C)C(C2CC2)C2CC2)c1-c1nn[n-]n1 ZINC000826236766 609542158 /nfs/dbraw/zinc/54/21/58/609542158.db2.gz BRCOQYHRJDTPHO-UHFFFAOYSA-N -1 3 318.812 2.848 20 0 DFADHM Cc1ccnc(NCc2cc3ccccc3[nH]2)c1-c1nnn[n-]1 ZINC000826314299 609542760 /nfs/dbraw/zinc/54/27/60/609542760.db2.gz PSFKJWQXIXTLBH-UHFFFAOYSA-N -1 3 305.345 2.664 20 0 DFADHM Cc1ccnc(NCc2cc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC000826314299 609542762 /nfs/dbraw/zinc/54/27/62/609542762.db2.gz PSFKJWQXIXTLBH-UHFFFAOYSA-N -1 3 305.345 2.664 20 0 DFADHM Cc1ccnc(NC2CC(c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826311554 609547726 /nfs/dbraw/zinc/54/77/26/609547726.db2.gz HUMWTUQOXPJJDV-UHFFFAOYSA-N -1 3 306.373 2.928 20 0 DFADHM Cc1ccnc(NC2CC(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826311554 609547727 /nfs/dbraw/zinc/54/77/27/609547727.db2.gz HUMWTUQOXPJJDV-UHFFFAOYSA-N -1 3 306.373 2.928 20 0 DFADHM C[C@H]1C[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC000824865810 609557207 /nfs/dbraw/zinc/55/72/07/609557207.db2.gz JQKGEXSANSEBDH-JQWIXIFHSA-N -1 3 314.393 2.663 20 0 DFADHM C[C@H]1C[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC000824865810 609557209 /nfs/dbraw/zinc/55/72/09/609557209.db2.gz JQKGEXSANSEBDH-JQWIXIFHSA-N -1 3 314.393 2.663 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@H](C)CC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826236834 609562914 /nfs/dbraw/zinc/56/29/14/609562914.db2.gz DDWBAUMUSLOQMB-BDAKNGLRSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@H](C)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826236834 609562916 /nfs/dbraw/zinc/56/29/16/609562916.db2.gz DDWBAUMUSLOQMB-BDAKNGLRSA-N -1 3 306.801 2.848 20 0 DFADHM CCS[C@H]1CC[C@@H](N(C)c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000825669171 609563199 /nfs/dbraw/zinc/56/31/99/609563199.db2.gz RPOBXJPDFHIYNG-NEPJUHHUSA-N -1 3 318.450 2.681 20 0 DFADHM CCS[C@H]1CC[C@@H](N(C)c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000825669171 609563200 /nfs/dbraw/zinc/56/32/00/609563200.db2.gz RPOBXJPDFHIYNG-NEPJUHHUSA-N -1 3 318.450 2.681 20 0 DFADHM Cc1ccnc(N2CC[C@@H](c3ccccc3)[C@H]2C)c1-c1nnn[n-]1 ZINC000826310049 609571868 /nfs/dbraw/zinc/57/18/68/609571868.db2.gz JYWNLJIHSROWRB-UKRRQHHQSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccnc(N2CC[C@@H](c3ccccc3)[C@H]2C)c1-c1nn[n-]n1 ZINC000826310049 609571869 /nfs/dbraw/zinc/57/18/69/609571869.db2.gz JYWNLJIHSROWRB-UKRRQHHQSA-N -1 3 320.400 2.953 20 0 DFADHM CCC1(CC)[C@H](Nc2nccc(C)c2-c2nnn[n-]2)C[C@@H]1OC ZINC000825170826 609577724 /nfs/dbraw/zinc/57/77/24/609577724.db2.gz JATXEEMGPQXZCF-NEPJUHHUSA-N -1 3 316.409 2.576 20 0 DFADHM CCC1(CC)[C@H](Nc2nccc(C)c2-c2nn[n-]n2)C[C@@H]1OC ZINC000825170826 609577727 /nfs/dbraw/zinc/57/77/27/609577727.db2.gz JATXEEMGPQXZCF-NEPJUHHUSA-N -1 3 316.409 2.576 20 0 DFADHM Cc1cccc([C@H]2CCCN2c2nccc(C)c2-c2nnn[n-]2)n1 ZINC000826297992 609578610 /nfs/dbraw/zinc/57/86/10/609578610.db2.gz YTWYRMRRCNHRHV-CQSZACIVSA-N -1 3 321.388 2.615 20 0 DFADHM Cc1cccc([C@H]2CCCN2c2nccc(C)c2-c2nn[n-]n2)n1 ZINC000826297992 609578611 /nfs/dbraw/zinc/57/86/11/609578611.db2.gz YTWYRMRRCNHRHV-CQSZACIVSA-N -1 3 321.388 2.615 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCC[C@H]1CCCCO1 ZINC000826371808 609581492 /nfs/dbraw/zinc/58/14/92/609581492.db2.gz UYOZOLRJBKOEIF-SNVBAGLBSA-N -1 3 309.320 2.516 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCC[C@H]1CCCCO1 ZINC000826371808 609581494 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310.332 2.904 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000153550366 283372904 /nfs/dbraw/zinc/37/29/04/283372904.db2.gz CLHSZWLYDFGVAA-KGLIPLIRSA-N -1 3 311.451 2.711 20 0 DFADHM COC(=O)c1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000139692719 398885399 /nfs/dbraw/zinc/88/53/99/398885399.db2.gz BSIVGWHOOMVBGU-UHFFFAOYSA-N -1 3 319.744 2.762 20 0 DFADHM O=C(CCCNC(=O)c1ccsc1)Nc1ccccc1[O-] ZINC000139674794 398885581 /nfs/dbraw/zinc/88/55/81/398885581.db2.gz RKAVOXBNNJLPTC-UHFFFAOYSA-N -1 3 304.371 2.602 20 0 DFADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000181621019 316065285 /nfs/dbraw/zinc/06/52/85/316065285.db2.gz GHICSNYDWMVSAN-VIFPVBQESA-N -1 3 309.403 2.693 20 0 DFADHM O=C(Nc1nc2ccccc2n1-c1ccccc1F)c1cnn[n-]1 ZINC000172811446 283386646 /nfs/dbraw/zinc/38/66/46/283386646.db2.gz RMAYWFTZZVUCFZ-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(Nc1nc2ccccc2n1-c1ccccc1F)c1c[n-]nn1 ZINC000172811446 283386648 /nfs/dbraw/zinc/38/66/48/283386648.db2.gz RMAYWFTZZVUCFZ-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(Nc1nc2ccccc2n1-c1ccccc1F)c1cn[n-]n1 ZINC000172811446 283386651 /nfs/dbraw/zinc/38/66/51/283386651.db2.gz RMAYWFTZZVUCFZ-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)/C=C/C(C)(C)C)c1 ZINC000173970161 283392385 /nfs/dbraw/zinc/39/23/85/283392385.db2.gz CVFYUHOJUVDSBA-CMDGGOBGSA-N -1 3 310.419 2.907 20 0 DFADHM CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000181210710 199266361 /nfs/dbraw/zinc/26/63/61/199266361.db2.gz UGADXCGSIFJPBA-GFCCVEGCSA-N -1 3 317.364 2.768 20 0 DFADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000054226648 398893316 /nfs/dbraw/zinc/89/33/16/398893316.db2.gz DGNHSSOYYJRBDE-ZBFHGGJFSA-N -1 3 310.397 2.958 20 0 DFADHM Cc1cccc(C(=O)N(C)Cc2ccc([S@](C)=O)cc2)c1[O-] ZINC000175452030 283405834 /nfs/dbraw/zinc/40/58/34/283405834.db2.gz XPCIPDYLYNKEBH-QFIPXVFZSA-N -1 3 317.410 2.710 20 0 DFADHM O=C1[N-]C(=O)C(=CNC2CC(c3ccccc3)C2)c2ccccc21 ZINC000077312131 398897804 /nfs/dbraw/zinc/89/78/04/398897804.db2.gz OLYYDKKXSSESIM-LDADJPATSA-N -1 3 318.376 2.833 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccs1)[C@H](c1ccccc1)N(C)C ZINC000186583836 199977927 /nfs/dbraw/zinc/97/79/27/199977927.db2.gz HGHULROODZNAJP-SWLSCSKDSA-N -1 3 324.471 2.718 20 0 DFADHM C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)CCN1C ZINC000187362398 200101467 /nfs/dbraw/zinc/10/14/67/200101467.db2.gz ALCISRWJIIPZSF-ONGXEEELSA-N -1 3 314.788 2.739 20 0 DFADHM C[C@@H]1CCCN(CCNC(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000187273215 200086431 /nfs/dbraw/zinc/08/64/31/200086431.db2.gz IJHHOODKKYCANT-SNVBAGLBSA-N -1 3 314.788 2.646 20 0 DFADHM COc1cccc(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)c1[O-] ZINC000187327092 200095664 /nfs/dbraw/zinc/09/56/64/200095664.db2.gz GGVWATDWQXKTFX-DZGCQCFKSA-N -1 3 307.390 2.724 20 0 DFADHM Cc1ccc(C(=O)NCc2cc(COC(C)(C)C)on2)c([O-])c1 ZINC000187658952 200141036 /nfs/dbraw/zinc/14/10/36/200141036.db2.gz JJQHWKLKMBLUKQ-UHFFFAOYSA-N -1 3 318.373 2.934 20 0 DFADHM O=C(NCCc1ccc2ccccc2c1)NCc1ncccc1[O-] ZINC000471664260 299296042 /nfs/dbraw/zinc/29/60/42/299296042.db2.gz UPBCQPPLBUCHHQ-UHFFFAOYSA-N -1 3 321.380 2.982 20 0 DFADHM CC(C)OCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188100640 200194119 /nfs/dbraw/zinc/19/41/19/200194119.db2.gz LNJWGDXYXBFVNX-UHFFFAOYSA-N -1 3 313.810 2.946 20 0 DFADHM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[N-]C1=NCCS1 ZINC000188107673 200195159 /nfs/dbraw/zinc/19/51/59/200195159.db2.gz SVRQVPMAJBQBEY-MRVPVSSYSA-N -1 3 318.320 2.692 20 0 DFADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@@H](C)C(=O)[O-] ZINC000237613894 202304639 /nfs/dbraw/zinc/30/46/39/202304639.db2.gz YHLFXAUAYNLMQV-AWEZNQCLSA-N -1 3 301.390 2.702 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000055091579 398919020 /nfs/dbraw/zinc/91/90/20/398919020.db2.gz JXXPLXLBILMMSK-GFCCVEGCSA-N -1 3 312.369 2.884 20 0 DFADHM COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c(C)cccc1[O-] ZINC000599098374 398920681 /nfs/dbraw/zinc/92/06/81/398920681.db2.gz SPSJOZHHPVVVJW-MCIONIFRSA-N -1 3 317.385 2.647 20 0 DFADHM CCOc1ccc([C@H](C)NC(=O)c2csc(=O)[n-]2)cc1OC ZINC000471720290 299299354 /nfs/dbraw/zinc/29/93/54/299299354.db2.gz IAYMXEOGFYSXOC-VIFPVBQESA-N -1 3 322.386 2.747 20 0 DFADHM CCCCOc1ccc(C(=O)N(C)C[C@@H]2CCOC2)c([O-])c1 ZINC000190586448 283489965 /nfs/dbraw/zinc/48/99/65/283489965.db2.gz SYJXBKOWUNZOID-ZDUSSCGKSA-N -1 3 307.390 2.680 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Cl)s2)c1 ZINC000055220444 398923866 /nfs/dbraw/zinc/92/38/66/398923866.db2.gz SOWVDQWKIYDRKQ-UHFFFAOYSA-N -1 3 324.789 2.996 20 0 DFADHM CCSC1(C[N-]S(=O)(=O)c2cc(C)ccc2F)CC1 ZINC000595349318 398925704 /nfs/dbraw/zinc/92/57/04/398925704.db2.gz XGNMHLFEKMPMRG-UHFFFAOYSA-N -1 3 303.424 2.698 20 0 DFADHM CCOCCC1(C[N-]S(=O)(=O)c2ccco2)CCCC1 ZINC000188762797 200300657 /nfs/dbraw/zinc/30/06/57/200300657.db2.gz NWBKHRYZFSPUJA-UHFFFAOYSA-N -1 3 301.408 2.545 20 0 DFADHM CC(C)CC[C@](C)(O)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000077839261 398928459 /nfs/dbraw/zinc/92/84/59/398928459.db2.gz QBPNOUQOVVXKFL-INIZCTEOSA-N -1 3 312.385 2.518 20 0 DFADHM Cc1ccc(C[C@@H](C)NC(=O)NCc2ncccc2[O-])c(C)c1 ZINC000471863610 299311253 /nfs/dbraw/zinc/31/12/53/299311253.db2.gz WKTKVTFHYVZXRO-CQSZACIVSA-N -1 3 313.401 2.834 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)c1 ZINC000078245787 398943479 /nfs/dbraw/zinc/94/34/79/398943479.db2.gz NXYBQYZHUFPBCO-ALLJEULLSA-N -1 3 323.458 2.764 20 0 DFADHM C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccsc1 ZINC000155536622 398946865 /nfs/dbraw/zinc/94/68/65/398946865.db2.gz IJBYABBERSDQHY-SNVBAGLBSA-N -1 3 324.427 2.862 20 0 DFADHM Cc1occc1-c1nnc(SCc2cc(=O)c([O-])co2)o1 ZINC000078353547 398950908 /nfs/dbraw/zinc/95/09/08/398950908.db2.gz WTHVHUHSOSNYEX-UHFFFAOYSA-N -1 3 306.299 2.589 20 0 DFADHM COC(=O)CCCCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000599316859 398953369 /nfs/dbraw/zinc/95/33/69/398953369.db2.gz FJTIXZOHGBBINR-UHFFFAOYSA-N -1 3 319.401 2.630 20 0 DFADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cnccn1 ZINC000056248662 398957695 /nfs/dbraw/zinc/95/76/95/398957695.db2.gz GIYAWVGJWTXUBV-UHFFFAOYSA-N -1 3 317.761 2.901 20 0 DFADHM O=C(NCCc1cc(F)cc(F)c1)NCc1ccc([O-])c(F)c1 ZINC000158251630 398957811 /nfs/dbraw/zinc/95/78/11/398957811.db2.gz UZTLPXZYZNSPAQ-UHFFFAOYSA-N -1 3 324.302 2.851 20 0 DFADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1Cc2ccccc2C1 ZINC000056299740 398961162 /nfs/dbraw/zinc/96/11/62/398961162.db2.gz BNWOQVHYFHNRAG-UHFFFAOYSA-N -1 3 318.376 2.768 20 0 DFADHM Cc1cc(C(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1[O-] ZINC000292564426 223149447 /nfs/dbraw/zinc/14/94/47/223149447.db2.gz UDUHXYREXCSYMP-JKSUJKDBSA-N -1 3 301.386 2.874 20 0 DFADHM Cc1cccc(C(=O)NCc2ccccc2Cn2ccnc2)c1[O-] ZINC000078547300 398965600 /nfs/dbraw/zinc/96/56/00/398965600.db2.gz WVXZKIGETXRVFJ-UHFFFAOYSA-N -1 3 321.380 2.875 20 0 DFADHM [O-]C(=NOCC1CC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000292600327 223166395 /nfs/dbraw/zinc/16/63/95/223166395.db2.gz JRHYUUUYJUBHNO-UHFFFAOYSA-N -1 3 312.753 2.964 20 0 DFADHM O=C([N-]OCC1CC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000292600327 223166397 /nfs/dbraw/zinc/16/63/97/223166397.db2.gz JRHYUUUYJUBHNO-UHFFFAOYSA-N -1 3 312.753 2.964 20 0 DFADHM COc1cccc(OC)c1CNC[C@H](CC(=O)[O-])C(C)(C)C ZINC000417552316 296030381 /nfs/dbraw/zinc/03/03/81/296030381.db2.gz CQDBAFCULFRGTA-LBPRGKRZSA-N -1 3 309.406 2.930 20 0 DFADHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cnn(C)c2)cc1 ZINC000417561347 296031119 /nfs/dbraw/zinc/03/11/19/296031119.db2.gz AYHKWFABFDNJRZ-INIZCTEOSA-N -1 3 301.390 2.849 20 0 DFADHM Cc1cccc(C(=O)NC2CCN(c3nccs3)CC2)c1[O-] ZINC000281409619 216280013 /nfs/dbraw/zinc/28/00/13/216280013.db2.gz WUVVSZFUGPHQDX-UHFFFAOYSA-N -1 3 317.414 2.556 20 0 DFADHM Cc1cccc([C@H](NCc2cnc(C3CC3)nc2)C(=O)[O-])c1C ZINC000417561446 296031045 /nfs/dbraw/zinc/03/10/45/296031045.db2.gz LFOPEXDTAPUTLT-INIZCTEOSA-N -1 3 311.385 2.886 20 0 DFADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cccc2c1OCO2)c1ccccc1 ZINC000417569504 296031838 /nfs/dbraw/zinc/03/18/38/296031838.db2.gz VGFLJSVVPGEKLY-MLGOLLRUSA-N -1 3 313.353 2.967 20 0 DFADHM COc1cccc([C@@H](CC(=O)[O-])NCc2scnc2C)c1 ZINC000417580766 296032798 /nfs/dbraw/zinc/03/27/98/296032798.db2.gz FYNQYFMAPOSSKV-CYBMUJFWSA-N -1 3 306.387 2.766 20 0 DFADHM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2ccnn2C)cc1 ZINC000417573223 296032235 /nfs/dbraw/zinc/03/22/35/296032235.db2.gz PSOUSYZWNAIYEJ-MRXNPFEDSA-N -1 3 301.390 2.849 20 0 DFADHM Cc1cc(C)n(C[C@H](NCc2cc(C)cc(Cl)c2)C(=O)[O-])n1 ZINC000417572798 296032302 /nfs/dbraw/zinc/03/23/02/296032302.db2.gz GOTFQQIBDSQCJT-HNNXBMFYSA-N -1 3 321.808 2.705 20 0 DFADHM Cc1cc(C)cc([C@H](NCc2cnn(CC(F)F)c2)C(=O)[O-])c1 ZINC000417572956 296032305 /nfs/dbraw/zinc/03/23/05/296032305.db2.gz ZFHIWUSHDYFICL-HNNXBMFYSA-N -1 3 323.343 2.681 20 0 DFADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C=C(C1CC1)C1CC1 ZINC000056409860 398969659 /nfs/dbraw/zinc/96/96/59/398969659.db2.gz PPQVCWJJEBXIED-UHFFFAOYSA-N -1 3 320.414 2.743 20 0 DFADHM COCC[C@H](NCc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000417591501 296033515 /nfs/dbraw/zinc/03/35/15/296033515.db2.gz IRYZZSQJQCUNAR-HNNXBMFYSA-N -1 3 307.390 2.587 20 0 DFADHM COC1(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCC1 ZINC000292846784 223271912 /nfs/dbraw/zinc/27/19/12/223271912.db2.gz QAJBIZMLFUIOGO-UHFFFAOYSA-N -1 3 321.801 2.717 20 0 DFADHM CCCCOc1cccc([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000193318255 201028175 /nfs/dbraw/zinc/02/81/75/201028175.db2.gz SHONNUCRNVXCOE-LBPRGKRZSA-N -1 3 301.408 2.642 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(SC)c(Cl)c1 ZINC000193332826 201032412 /nfs/dbraw/zinc/03/24/12/201032412.db2.gz HZBNKXLTXFJWPL-MRVPVSSYSA-N -1 3 309.840 2.839 20 0 DFADHM CC(C)(C)OC(=O)c1cccc(CN[C@@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC000417624229 296036542 /nfs/dbraw/zinc/03/65/42/296036542.db2.gz QJSGJQJBXKHWSQ-DZGCQCFKSA-N -1 3 317.385 2.761 20 0 DFADHM CO[C@@H](CNCc1ccc(F)c(Cl)c1Cl)CC(=O)[O-] ZINC000417637905 296037321 /nfs/dbraw/zinc/03/73/21/296037321.db2.gz NVKVODALNQGVGT-MRVPVSSYSA-N -1 3 310.152 2.712 20 0 DFADHM CO[C@@H](CNCc1cccc(OCC2CCCCC2)c1)C(=O)[O-] ZINC000417636327 296037331 /nfs/dbraw/zinc/03/73/31/296037331.db2.gz XPCJEZGMAQKMQL-KRWDZBQOSA-N -1 3 321.417 2.835 20 0 DFADHM CCCCc1oc2ccccc2c1CNC[C@@H](OC)C(=O)[O-] ZINC000417626385 296036604 /nfs/dbraw/zinc/03/66/04/296036604.db2.gz MYWJGCMNQSKWMB-MRXNPFEDSA-N -1 3 305.374 2.965 20 0 DFADHM COc1ccc(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1OCC(C)C ZINC000417625959 296036722 /nfs/dbraw/zinc/03/67/22/296036722.db2.gz SBLIXTDGQNYQRV-HUUCEWRRSA-N -1 3 319.401 2.849 20 0 DFADHM COc1cccc(C[C@H](CNCc2ccc(Cl)o2)C(=O)[O-])c1 ZINC000417651454 296038231 /nfs/dbraw/zinc/03/82/31/296038231.db2.gz PKMQUMWZQBRHJU-GFCCVEGCSA-N -1 3 323.776 2.975 20 0 DFADHM COC[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C1CC1 ZINC000193649018 201095390 /nfs/dbraw/zinc/09/53/90/201095390.db2.gz DMGPCKRYCZMQKH-LBPRGKRZSA-N -1 3 303.280 2.566 20 0 DFADHM CC(C)(C)OC(=O)C[C@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000417661238 296039014 /nfs/dbraw/zinc/03/90/14/296039014.db2.gz JVYXSEYYODMPOW-LBPRGKRZSA-N -1 3 313.781 2.615 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@H](C)CCC(=O)OC(C)C)c1 ZINC000473606708 299330469 /nfs/dbraw/zinc/33/04/69/299330469.db2.gz QSXHELHPVWXFHS-GFCCVEGCSA-N -1 3 307.390 2.805 20 0 DFADHM C[C@@H]1COCC[C@@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000281525558 216360017 /nfs/dbraw/zinc/36/00/17/216360017.db2.gz HMEBJSHFDHTDST-PELKAZGASA-N -1 3 303.280 2.566 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)C(F)(F)F ZINC000288670568 299330728 /nfs/dbraw/zinc/33/07/28/299330728.db2.gz SPOREXBTGMJEAU-QMMMGPOBSA-N -1 3 323.336 2.629 20 0 DFADHM CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000162614750 398983228 /nfs/dbraw/zinc/98/32/28/398983228.db2.gz IUVCHYFDOCZVCH-AWEZNQCLSA-N -1 3 319.401 2.896 20 0 DFADHM C[C@H]1COCC[C@@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000281525576 216361409 /nfs/dbraw/zinc/36/14/09/216361409.db2.gz HMEBJSHFDHTDST-UFBFGSQYSA-N -1 3 303.280 2.566 20 0 DFADHM C[C@@H]([N-]C(=O)C(F)F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000194730032 201278958 /nfs/dbraw/zinc/27/89/58/201278958.db2.gz CGEYNTGLAMGFHS-ZCFIWIBFSA-N -1 3 301.680 2.832 20 0 DFADHM CCc1cnc(C[N-]C(=O)C(F)(F)c2ncccc2C)s1 ZINC000194696462 201274090 /nfs/dbraw/zinc/27/40/90/201274090.db2.gz JFPBGEARFBDNSP-UHFFFAOYSA-N -1 3 311.357 2.817 20 0 DFADHM C[C@H](O)CCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000447611391 297311097 /nfs/dbraw/zinc/31/10/97/297311097.db2.gz XXYYYQXSFRODQY-QMMMGPOBSA-N -1 3 313.810 2.682 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000281559636 216383200 /nfs/dbraw/zinc/38/32/00/216383200.db2.gz OQDBVOQIENDKRJ-CLLJXQQHSA-N -1 3 315.410 2.616 20 0 DFADHM C[C@H](CN(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1)c1nccs1 ZINC000613469310 398996758 /nfs/dbraw/zinc/99/67/58/398996758.db2.gz ZRBGZLPTOOBJNA-SECBINFHSA-N -1 3 316.386 2.601 20 0 DFADHM Cc1csc([C@@H](C)CNC(=O)c2ccc3[nH][n-]c(=O)c3c2)n1 ZINC000613478343 398998528 /nfs/dbraw/zinc/99/85/28/398998528.db2.gz AKKULLHMGBKNDT-QMMMGPOBSA-N -1 3 316.386 2.567 20 0 DFADHM Cc1ccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c([O-])c1C ZINC000056951309 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Cc1ccc(-c2cc(-c3nc(C[C@@H]4CCCO4)no3)n[n-]2)o1 ZINC000264567904 204001814 /nfs/dbraw/zinc/00/18/14/204001814.db2.gz BXCNWYJDSCNAIH-JTQLQIEISA-N -1 3 300.318 2.750 20 0 DFADHM Cc1ccc(-c2cc(-c3nc(C[C@@H]4CCCO4)no3)[n-]n2)o1 ZINC000264567904 204001818 /nfs/dbraw/zinc/00/18/18/204001818.db2.gz BXCNWYJDSCNAIH-JTQLQIEISA-N -1 3 300.318 2.750 20 0 DFADHM COc1cc(-c2noc([C@H](C)OC[C@H]3CCCO3)n2)ccc1[O-] ZINC000264586299 204011992 /nfs/dbraw/zinc/01/19/92/204011992.db2.gz IBNACKMSWKUOHD-CMPLNLGQSA-N -1 3 320.345 2.707 20 0 DFADHM COCc1csc(CNC(=O)c2ccc([O-])c(OC)c2)c1 ZINC000618529815 399146563 /nfs/dbraw/zinc/14/65/63/399146563.db2.gz NPEPSMYLYGIIHU-UHFFFAOYSA-N -1 3 307.371 2.539 20 0 DFADHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000341230438 284253594 /nfs/dbraw/zinc/25/35/94/284253594.db2.gz SNVSTQYVQMEPAD-BXKDBHETSA-N -1 3 321.801 2.573 20 0 DFADHM CCC[C@H]1C[C@H]1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000080491799 399153720 /nfs/dbraw/zinc/15/37/20/399153720.db2.gz UEPHCAWENFCIIW-NWDGAFQWSA-N -1 3 310.419 2.741 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3CCCCS3)[n-]c21 ZINC000341246799 284259396 /nfs/dbraw/zinc/25/93/96/284259396.db2.gz LTZZCSMTUOJPTG-LLVKDONJSA-N -1 3 319.386 2.574 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CCCCS3)nc21 ZINC000341246799 284259400 /nfs/dbraw/zinc/25/94/00/284259400.db2.gz LTZZCSMTUOJPTG-LLVKDONJSA-N -1 3 319.386 2.574 20 0 DFADHM O=C(NCCc1cccc(F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000061241854 399153369 /nfs/dbraw/zinc/15/33/69/399153369.db2.gz STUANUYTJARFCE-UHFFFAOYSA-N -1 3 310.328 2.640 20 0 DFADHM CC(C)(C)[S@@](=O)CCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000264837169 204195053 /nfs/dbraw/zinc/19/50/53/204195053.db2.gz HOQFFKWJEKGEBT-QFIPXVFZSA-N -1 3 323.458 2.548 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C)CCCC1 ZINC000486255816 299426451 /nfs/dbraw/zinc/42/64/51/299426451.db2.gz WMCSTBVITREWKK-UHFFFAOYSA-N -1 3 303.811 2.960 20 0 DFADHM C[C@H]1CCN(C(=O)Cc2ccc(Br)cc2[O-])[C@H]1C ZINC000341928672 284293976 /nfs/dbraw/zinc/29/39/76/284293976.db2.gz SLCOGKYVNVVPRD-UWVGGRQHSA-N -1 3 312.207 2.954 20 0 DFADHM CSc1ccc([O-])c(C(=O)NCC2(CO)CC3(CCC3)C2)c1 ZINC000614170301 399169357 /nfs/dbraw/zinc/16/93/57/399169357.db2.gz KPKMFTIDAWOFOK-UHFFFAOYSA-N -1 3 321.442 2.787 20 0 DFADHM O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1ccc(F)cc1C(F)(F)F ZINC000486835779 299429882 /nfs/dbraw/zinc/42/98/82/299429882.db2.gz XCOWAEPGOXOCNZ-GDGBQDQQSA-N -1 3 323.311 2.921 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2)c1 ZINC000080711523 399174123 /nfs/dbraw/zinc/17/41/23/399174123.db2.gz QLCUNRDPXZZPOR-SNVBAGLBSA-N -1 3 313.810 2.596 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-]C(C)(C)Cc2ccccc2C)c1 ZINC000080739174 399174891 /nfs/dbraw/zinc/17/48/91/399174891.db2.gz RZSSFQMHTWLPBE-UHFFFAOYSA-N -1 3 321.446 2.511 20 0 DFADHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2sccc2Cl)n1 ZINC000622041962 399174907 /nfs/dbraw/zinc/17/49/07/399174907.db2.gz NRLKTGWKTOQGMH-QMMMGPOBSA-N -1 3 317.823 2.539 20 0 DFADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)C1CC2(CC2)C1 ZINC000622059494 399180742 /nfs/dbraw/zinc/18/07/42/399180742.db2.gz SZTOKWDJGGJPCW-UHFFFAOYSA-N -1 3 316.792 2.686 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C2CCSCC2)c([O-])c1 ZINC000265929536 204976367 /nfs/dbraw/zinc/97/63/67/204976367.db2.gz OHIXFSKWTKFQKW-UHFFFAOYSA-N -1 3 309.387 2.651 20 0 DFADHM CCc1cc(C(=O)N[C@H](CO)c2cccc(F)c2)ccc1[O-] ZINC000486958043 299434002 /nfs/dbraw/zinc/43/40/02/299434002.db2.gz ROPOYPSQJLKDLY-OAHLLOKOSA-N -1 3 303.333 2.557 20 0 DFADHM Cc1noc(C(C)C)c1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000080815240 399182422 /nfs/dbraw/zinc/18/24/22/399182422.db2.gz CUAXJUJVKMYNKF-UHFFFAOYSA-N -1 3 303.297 2.541 20 0 DFADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000607704828 399188072 /nfs/dbraw/zinc/18/80/72/399188072.db2.gz SEXQPSYYBDFNLF-UYAOXDASSA-N -1 3 318.376 2.988 20 0 DFADHM CO[C@H]([C@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000622093327 399191812 /nfs/dbraw/zinc/19/18/12/399191812.db2.gz ICDGCNLJIHMSTA-ISVAXAHUSA-N -1 3 317.307 2.954 20 0 DFADHM CC1(C)COC[C@@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622093340 399192066 /nfs/dbraw/zinc/19/20/66/399192066.db2.gz IFWACPOLFYUOIP-NSHDSACASA-N -1 3 303.280 2.566 20 0 DFADHM O=C(NCCC[C@@H]1CCOC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622095242 399192398 /nfs/dbraw/zinc/19/23/98/399192398.db2.gz GMDPLNOUANVLHK-SNVBAGLBSA-N -1 3 317.307 2.958 20 0 DFADHM CC[C@H](C)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000266178056 205162495 /nfs/dbraw/zinc/16/24/95/205162495.db2.gz FHMGJPYQYRQLPQ-LURJTMIESA-N -1 3 312.254 2.896 20 0 DFADHM CC[C@H](C)C[C@H](CO)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622122531 399201378 /nfs/dbraw/zinc/20/13/78/399201378.db2.gz NJFFAHAQZOFDNG-JOYOIKCWSA-N -1 3 319.323 2.938 20 0 DFADHM CSc1nnc(NC(=O)Cc2c(C)oc3ccccc32)[n-]1 ZINC000342573116 284369110 /nfs/dbraw/zinc/36/91/10/284369110.db2.gz UNSUDTJNZXTIDU-UHFFFAOYSA-N -1 3 302.359 2.762 20 0 DFADHM CSc1n[n-]c(NC(=O)Cc2c(C)oc3ccccc32)n1 ZINC000342573116 284369113 /nfs/dbraw/zinc/36/91/13/284369113.db2.gz UNSUDTJNZXTIDU-UHFFFAOYSA-N -1 3 302.359 2.762 20 0 DFADHM CSc1nc(NC(=O)Cc2c(C)oc3ccccc32)n[n-]1 ZINC000342573116 284369116 /nfs/dbraw/zinc/36/91/16/284369116.db2.gz UNSUDTJNZXTIDU-UHFFFAOYSA-N -1 3 302.359 2.762 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cc(F)cc3[n-]nnc32)CC12CCC2 ZINC000282881495 217297882 /nfs/dbraw/zinc/29/78/82/217297882.db2.gz YQFJRBDRQMWGJK-SNVBAGLBSA-N -1 3 302.353 2.749 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cc(F)cc3nn[n-]c32)CC12CCC2 ZINC000282881495 217297887 /nfs/dbraw/zinc/29/78/87/217297887.db2.gz YQFJRBDRQMWGJK-SNVBAGLBSA-N -1 3 302.353 2.749 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cc(F)cc3n[n-]nc32)CC12CCC2 ZINC000282881495 217297889 /nfs/dbraw/zinc/29/78/89/217297889.db2.gz YQFJRBDRQMWGJK-SNVBAGLBSA-N -1 3 302.353 2.749 20 0 DFADHM C[C@H](COCC1CC1)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622126883 399203369 /nfs/dbraw/zinc/20/33/69/399203369.db2.gz JKACJJDKRUJSPC-SECBINFHSA-N -1 3 317.307 2.956 20 0 DFADHM C[C@H]1CN(C(=O)c2cc(F)c[n-]c2=O)CCc2ccc(F)cc21 ZINC000622127928 399203759 /nfs/dbraw/zinc/20/37/59/399203759.db2.gz KFDSEDTXBDAZQK-JTQLQIEISA-N -1 3 318.323 2.867 20 0 DFADHM Cc1nsc([N-]C(=O)c2cc(C3CC3)nc3onc(C)c32)n1 ZINC000266454546 205358655 /nfs/dbraw/zinc/35/86/55/205358655.db2.gz WZVBGYWPLXUSSV-UHFFFAOYSA-N -1 3 315.358 2.821 20 0 DFADHM CCOC(=O)c1ncc(C=Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000601044024 399210253 /nfs/dbraw/zinc/21/02/53/399210253.db2.gz LVBNGXPZLWCDTJ-WAYWQWQTSA-N -1 3 317.370 2.863 20 0 DFADHM CCC1(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420677518 296197356 /nfs/dbraw/zinc/19/73/56/296197356.db2.gz SABULLKXPIBKKF-UHFFFAOYSA-N -1 3 323.336 2.896 20 0 DFADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000288480730 220168652 /nfs/dbraw/zinc/16/86/52/220168652.db2.gz DVCXCHSKGIRKJZ-HNNXBMFYSA-N -1 3 315.373 2.723 20 0 DFADHM CC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000420719956 296198836 /nfs/dbraw/zinc/19/88/36/296198836.db2.gz BEQQDPHSXIPGPZ-LLVKDONJSA-N -1 3 313.806 2.542 20 0 DFADHM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2csc(=O)[n-]2)C1 ZINC000614336949 399213225 /nfs/dbraw/zinc/21/32/25/399213225.db2.gz PBVAYEPOIXNRFV-WVWOOGAGSA-N -1 3 324.446 2.641 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000622175493 399215053 /nfs/dbraw/zinc/21/50/53/399215053.db2.gz LGHJCOZOAPOWCB-HNNXBMFYSA-N -1 3 305.374 2.519 20 0 DFADHM COc1cc(CNCC(F)(F)F)cc(Br)c1[O-] ZINC000019509157 182126855 /nfs/dbraw/zinc/12/68/55/182126855.db2.gz NFJCKXGYPWWNSB-UHFFFAOYSA-N -1 3 314.101 2.815 20 0 DFADHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1F ZINC000342781788 284410997 /nfs/dbraw/zinc/41/09/97/284410997.db2.gz NRZQARBZNQJXDR-UHFFFAOYSA-N -1 3 307.346 2.965 20 0 DFADHM O=C(NC1(c2ccc(C(F)(F)F)cc2)CCC1)c1c[n-]nn1 ZINC000622192950 399221086 /nfs/dbraw/zinc/22/10/86/399221086.db2.gz LBTWFNSGMHCTEB-UHFFFAOYSA-N -1 3 310.279 2.633 20 0 DFADHM O=C(NC1(c2ccc(C(F)(F)F)cc2)CCC1)c1cnn[n-]1 ZINC000622192950 399221088 /nfs/dbraw/zinc/22/10/88/399221088.db2.gz LBTWFNSGMHCTEB-UHFFFAOYSA-N -1 3 310.279 2.633 20 0 DFADHM O=C(NC1(c2ccc(C(F)(F)F)cc2)CCC1)c1cn[n-]n1 ZINC000622192950 399221092 /nfs/dbraw/zinc/22/10/92/399221092.db2.gz LBTWFNSGMHCTEB-UHFFFAOYSA-N -1 3 310.279 2.633 20 0 DFADHM CCOc1nc2cc(C(=O)NCC[C@@H]3CC3(F)F)ccc2[n-]1 ZINC000622195688 399221848 /nfs/dbraw/zinc/22/18/48/399221848.db2.gz VGUTVMXYPFBFQD-SNVBAGLBSA-N -1 3 309.316 2.737 20 0 DFADHM CCOc1nc2ccc(C(=O)NCC[C@@H]3CC3(F)F)cc2[n-]1 ZINC000622195688 399221850 /nfs/dbraw/zinc/22/18/50/399221850.db2.gz VGUTVMXYPFBFQD-SNVBAGLBSA-N -1 3 309.316 2.737 20 0 DFADHM NC(=O)N1CCCc2ccc(NCc3cc([O-])cc(F)c3)cc21 ZINC000487201352 299450695 /nfs/dbraw/zinc/45/06/95/299450695.db2.gz QJBRHVGAZJAVBI-UHFFFAOYSA-N -1 3 315.348 2.975 20 0 DFADHM C[C@@H]1CCN(C(=O)COCc2cccnc2)c2c([O-])cccc21 ZINC000487209237 299451417 /nfs/dbraw/zinc/45/14/17/299451417.db2.gz SCNKFNIRCGMTKR-CYBMUJFWSA-N -1 3 312.369 2.844 20 0 DFADHM O=C(Cc1ccccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020501343 182225002 /nfs/dbraw/zinc/22/50/02/182225002.db2.gz PNOIPWJLMQTTCD-UHFFFAOYSA-N -1 3 313.748 2.701 20 0 DFADHM O=C(Cc1ccccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020501343 182225005 /nfs/dbraw/zinc/22/50/05/182225005.db2.gz PNOIPWJLMQTTCD-UHFFFAOYSA-N -1 3 313.748 2.701 20 0 DFADHM COc1ccc([C@H](C)NCC(=O)[N-]OCc2ccccc2)cc1 ZINC000271665341 209107423 /nfs/dbraw/zinc/10/74/23/209107423.db2.gz LVVNVUQBQHHUDE-AWEZNQCLSA-N -1 3 314.385 2.594 20 0 DFADHM O=C([N-]c1nccc(-c2ccco2)n1)c1ncc(F)cc1F ZINC000362169168 284436025 /nfs/dbraw/zinc/43/60/25/284436025.db2.gz YZCZPVFQLLIGCQ-UHFFFAOYSA-N -1 3 302.240 2.662 20 0 DFADHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@H]1CO ZINC000622219462 399228775 /nfs/dbraw/zinc/22/87/75/399228775.db2.gz MARIYNMEXNDHSN-UWVGGRQHSA-N -1 3 317.307 2.502 20 0 DFADHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@@H]1CO ZINC000622219463 399228851 /nfs/dbraw/zinc/22/88/51/399228851.db2.gz MARIYNMEXNDHSN-VHSXEESVSA-N -1 3 317.307 2.502 20 0 DFADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@]2(O)C[C@H]2C1 ZINC000618756482 399230166 /nfs/dbraw/zinc/23/01/66/399230166.db2.gz XZUNPECEFCPMPL-OXJNMPFZSA-N -1 3 323.392 2.580 20 0 DFADHM O=C(Nc1ccc(Br)cc1)c1ccc2n[n-]nc2c1 ZINC000021216419 182269737 /nfs/dbraw/zinc/26/97/37/182269737.db2.gz CSTPYZVWIAWQTO-UHFFFAOYSA-N -1 3 317.146 2.973 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3CC(CC4CC4)C3)c([O-])c2O1 ZINC000622250499 399237846 /nfs/dbraw/zinc/23/78/46/399237846.db2.gz MHHHOMWEARXVAO-UHFFFAOYSA-N -1 3 301.386 2.978 20 0 DFADHM CO[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])[C@@H]1CCOC1 ZINC000614488452 399240091 /nfs/dbraw/zinc/24/00/91/399240091.db2.gz LTVGTNJZCNFHQN-ABAIWWIYSA-N -1 3 307.390 2.680 20 0 DFADHM COc1cccc(C(=O)NC(C)(C)c2ncc(C)s2)c1[O-] ZINC000267474109 206094305 /nfs/dbraw/zinc/09/43/05/206094305.db2.gz FNUIPAMNWJLRBV-UHFFFAOYSA-N -1 3 306.387 2.831 20 0 DFADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000267510146 206113649 /nfs/dbraw/zinc/11/36/49/206113649.db2.gz BQVXEOIFKLYPSG-QMMMGPOBSA-N -1 3 308.494 2.570 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2C)s1 ZINC000267516697 206117776 /nfs/dbraw/zinc/11/77/76/206117776.db2.gz KNHHRJQIZBAGOR-JTQLQIEISA-N -1 3 314.407 2.939 20 0 DFADHM COc1nc(C)cc(C)c1CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000622264937 399241464 /nfs/dbraw/zinc/24/14/64/399241464.db2.gz JGXRNFBKQACLCE-UHFFFAOYSA-N -1 3 314.385 2.993 20 0 DFADHM COCc1ccccc1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000622299984 399244721 /nfs/dbraw/zinc/24/47/21/399244721.db2.gz VQQMMBZJEUNJJN-UHFFFAOYSA-N -1 3 303.333 2.537 20 0 DFADHM CC(C)Oc1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cn1 ZINC000622320916 399246113 /nfs/dbraw/zinc/24/61/13/399246113.db2.gz FZRBSSSLQRLEKL-UHFFFAOYSA-N -1 3 314.267 2.863 20 0 DFADHM CC(C)Oc1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cn1 ZINC000622320916 399246119 /nfs/dbraw/zinc/24/61/19/399246119.db2.gz FZRBSSSLQRLEKL-UHFFFAOYSA-N -1 3 314.267 2.863 20 0 DFADHM COc1cc(Cl)c(F)c(C(=O)[N-]c2nnc(C)s2)c1 ZINC000622322461 399246283 /nfs/dbraw/zinc/24/62/83/399246283.db2.gz 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316.308 2.947 20 0 DFADHM CCOc1nc2cc(C(=O)N3CC[C@@H](C)O[C@@H](C)C3)ccc2[n-]1 ZINC000619117137 399298252 /nfs/dbraw/zinc/29/82/52/399298252.db2.gz SJLMTAGTHSJBIS-NEPJUHHUSA-N -1 3 317.389 2.601 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CC[C@@H](C)O[C@@H](C)C3)cc2[n-]1 ZINC000619117137 399298254 /nfs/dbraw/zinc/29/82/54/399298254.db2.gz SJLMTAGTHSJBIS-NEPJUHHUSA-N -1 3 317.389 2.601 20 0 DFADHM Cc1nc(C)c(CCC(=O)Nc2ccc(C(F)F)nc2)c(=O)[n-]1 ZINC000622925241 399298319 /nfs/dbraw/zinc/29/83/19/399298319.db2.gz YYIJPCCUYAEZFQ-UHFFFAOYSA-N -1 3 322.315 2.703 20 0 DFADHM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])C12CCC2 ZINC000619103831 399295356 /nfs/dbraw/zinc/29/53/56/399295356.db2.gz OJPMXLFZQFAYLH-GJZGRUSLSA-N -1 3 319.401 2.954 20 0 DFADHM O=C(N[C@H]1CCc2ccccc21)c1c[n-]c2ccccc2c1=O ZINC000042024903 183229610 /nfs/dbraw/zinc/22/96/10/183229610.db2.gz RHYQNPNZQMQSOC-KRWDZBQOSA-N -1 3 304.349 2.945 20 0 DFADHM CC[C@H]1CN(C)CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623028307 399315110 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/nfs/dbraw/zinc/02/74/99/400027499.db2.gz IYMPQZARAWCPIM-WBVHZDCISA-N -1 3 307.365 2.538 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000634427676 400027506 /nfs/dbraw/zinc/02/75/06/400027506.db2.gz IYMPQZARAWCPIM-NVXWUHKLSA-N -1 3 307.365 2.538 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000628374922 400028425 /nfs/dbraw/zinc/02/84/25/400028425.db2.gz NBIMQLDCHYIJFW-UHFFFAOYSA-N -1 3 323.400 2.906 20 0 DFADHM Cc1sc2nc(C)nc(NCCCc3c[n-][nH]c3=O)c2c1C ZINC000631362268 400029738 /nfs/dbraw/zinc/02/97/38/400029738.db2.gz SKFHRUWQYLCKDH-LLVKDONJSA-N -1 3 317.418 2.540 20 0 DFADHM CC(=O)c1ccc(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1[O-] ZINC000628399465 400029910 /nfs/dbraw/zinc/02/99/10/400029910.db2.gz LGUWORXOZDNZPV-NXEZZACHSA-N -1 3 311.328 2.958 20 0 DFADHM CCCCOc1ccc(C(=O)N2CC3(C2)CCCO3)c([O-])c1 ZINC000628790593 400056828 /nfs/dbraw/zinc/05/68/28/400056828.db2.gz SMYSUPZXXCJEGV-UHFFFAOYSA-N -1 3 305.374 2.576 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCc1ccc(C(F)F)cc1 ZINC000631693744 400066848 /nfs/dbraw/zinc/06/68/48/400066848.db2.gz NFKUWXSZEWJXSB-UHFFFAOYSA-N -1 3 323.299 2.705 20 0 DFADHM CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631727133 400070472 /nfs/dbraw/zinc/07/04/72/400070472.db2.gz JMZVAFHRDHCLQE-ZJUUUORDSA-N -1 3 318.464 2.732 20 0 DFADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631736694 400071205 /nfs/dbraw/zinc/07/12/05/400071205.db2.gz UFSFYKBDEXODGY-VWYCJHECSA-N -1 3 318.464 2.588 20 0 DFADHM CCNc1cc(C)ccc1NC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000349614718 285898463 /nfs/dbraw/zinc/89/84/63/285898463.db2.gz RNZSGENLVLJFEU-UHFFFAOYSA-N -1 3 301.346 2.794 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CC2(CO)CCCC2)sc1Cl ZINC000188452425 145786741 /nfs/dbraw/zinc/78/67/41/145786741.db2.gz XVXDBKFBPJXOHT-UHFFFAOYSA-N -1 3 323.867 2.541 20 0 DFADHM COc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1OC ZINC000188865943 145800885 /nfs/dbraw/zinc/80/08/85/145800885.db2.gz KBLPAKWHQQHQMW-UHFFFAOYSA-N -1 3 324.340 2.741 20 0 DFADHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000226236943 146004402 /nfs/dbraw/zinc/00/44/02/146004402.db2.gz QBZISYVGHFATKZ-ZETCQYMHSA-N -1 3 324.265 2.835 20 0 DFADHM O=S(=O)([N-]CCC1CC1)c1ccc(Br)c(F)c1 ZINC000230626544 146016062 /nfs/dbraw/zinc/01/60/62/146016062.db2.gz BDLFKYZBOCLYRS-UHFFFAOYSA-N -1 3 322.199 2.667 20 0 DFADHM O=c1[nH]c(-c2ccc(OC(F)F)cc2)nc2ccc([O-])cc12 ZINC000436910003 543351310 /nfs/dbraw/zinc/35/13/10/543351310.db2.gz MTAQDBKGTCMJFO-UHFFFAOYSA-N -1 3 304.252 2.897 20 0 DFADHM COCCOc1cccc(C(=O)Nc2ccc(OC)cc2[O-])c1 ZINC000442698969 543355598 /nfs/dbraw/zinc/35/55/98/543355598.db2.gz JCKIOYMTQKYJNU-UHFFFAOYSA-N -1 3 317.341 2.678 20 0 DFADHM COc1ccc(NC(=O)[C@H](C)Oc2ccccc2F)c([O-])c1 ZINC000442702397 543355716 /nfs/dbraw/zinc/35/57/16/543355716.db2.gz CGMMYPAPVFBVCO-JTQLQIEISA-N -1 3 305.305 2.946 20 0 DFADHM COc1ccc(NC(=O)[C@H](O)[C@@H](C)c2ccc(C)cc2)c([O-])c1 ZINC000442706836 543356296 /nfs/dbraw/zinc/35/62/96/543356296.db2.gz RNMXDXNSXLSGLB-YVEFUNNKSA-N -1 3 315.369 2.812 20 0 DFADHM CC(C)COc1ccc(CCNC(=O)c2csc(=O)[n-]2)cc1 ZINC000349694368 285917091 /nfs/dbraw/zinc/91/70/91/285917091.db2.gz PXDMIOHSJVGBJW-UHFFFAOYSA-N -1 3 320.414 2.856 20 0 DFADHM Cc1ccc(-c2cc(CN3CC[C@](C)(C(=O)[O-])C3)on2)cc1 ZINC000261996421 146319185 /nfs/dbraw/zinc/31/91/85/146319185.db2.gz UMSDQPKVMXQOQT-KRWDZBQOSA-N -1 3 300.358 2.947 20 0 DFADHM C[C@H](NCc1cc(Cl)ccc1OCc1cccnc1)C(=O)[O-] ZINC000262022337 146323921 /nfs/dbraw/zinc/32/39/21/146323921.db2.gz NHTDSYHNVYHYQO-NSHDSACASA-N -1 3 320.776 2.877 20 0 DFADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCCC(=O)[O-] ZINC000262042272 146326542 /nfs/dbraw/zinc/32/65/42/146326542.db2.gz PIQYJFYHSZJFPI-UHFFFAOYSA-N -1 3 307.781 2.707 20 0 DFADHM CC[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)N(CC)CC ZINC000262482139 146363076 /nfs/dbraw/zinc/36/30/76/146363076.db2.gz IDJCYLYKNNYECK-OAHLLOKOSA-N -1 3 306.406 2.763 20 0 DFADHM CCCC[C@H](NCc1csc(-c2ccccn2)n1)C(=O)[O-] ZINC000262701443 146383154 /nfs/dbraw/zinc/38/31/54/146383154.db2.gz KUPBUNDDKCSUHH-ZDUSSCGKSA-N -1 3 305.403 2.938 20 0 DFADHM CC(C)C[C@@H](NCc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000262709148 146384527 /nfs/dbraw/zinc/38/45/27/146384527.db2.gz OPHLSMDWFKESMP-GFCCVEGCSA-N -1 3 309.797 2.816 20 0 DFADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000480994054 543398945 /nfs/dbraw/zinc/39/89/45/543398945.db2.gz WHGFNBGWDPRFHH-HOMQSWHASA-N -1 3 322.352 2.957 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H]2CSc3ccccc32)c1 ZINC000354341455 147001057 /nfs/dbraw/zinc/00/10/57/147001057.db2.gz UIFULLGNVKYVQU-CYBMUJFWSA-N -1 3 301.367 2.978 20 0 DFADHM O=c1[n-]c(Cc2ccc(-n3cccn3)cc2)nc2cccnc21 ZINC000491652382 543407039 /nfs/dbraw/zinc/40/70/39/543407039.db2.gz FETWGQLDBCXQHI-UHFFFAOYSA-N -1 3 303.325 2.507 20 0 DFADHM Cc1cc(C(=O)NCc2cc(F)cc3c2OCOC3)ccc1[O-] ZINC000354399962 147022077 /nfs/dbraw/zinc/02/20/77/147022077.db2.gz LDECVNVBMUDVMI-UHFFFAOYSA-N -1 3 317.316 2.636 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)c1 ZINC000354461513 147047438 /nfs/dbraw/zinc/04/74/38/147047438.db2.gz SPUPKDZPZYFNKC-ZFWWWQNUSA-N -1 3 302.418 2.653 20 0 DFADHM Cn1c(=O)c2ccccc2cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000354520885 147065574 /nfs/dbraw/zinc/06/55/74/147065574.db2.gz LMOIMVZPTOKAHU-UHFFFAOYSA-N -1 3 312.300 2.636 20 0 DFADHM N=c1nc(N2CCC[C@H]2c2cccc(Cl)c2)nc2[nH][n-]cc1-2 ZINC000354521105 147066016 /nfs/dbraw/zinc/06/60/16/147066016.db2.gz GYGLKNOSAJFGAK-LBPRGKRZSA-N -1 3 314.780 2.712 20 0 DFADHM N=c1nc(N2CCC[C@H]2CCC2CCCC2)nc2[nH][n-]cc1-2 ZINC000354558192 147078303 /nfs/dbraw/zinc/07/83/03/147078303.db2.gz AMGXJRTWAUYJKG-LBPRGKRZSA-N -1 3 300.410 2.656 20 0 DFADHM Cc1cc(C(=O)NCc2ccc(CN(C)C)c(F)c2)ccc1[O-] ZINC000354614469 147091892 /nfs/dbraw/zinc/09/18/92/147091892.db2.gz SHAQQGCYCBLFRP-UHFFFAOYSA-N -1 3 316.376 2.831 20 0 DFADHM O=C(Nc1ncccc1[O-])C1(Oc2ccc(Cl)cc2)CC1 ZINC000354618859 147093128 /nfs/dbraw/zinc/09/31/28/147093128.db2.gz UQJWRKDEOWGPDC-UHFFFAOYSA-N -1 3 304.733 2.991 20 0 DFADHM Cc1nncn1-c1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000354663078 147107730 /nfs/dbraw/zinc/10/77/30/147107730.db2.gz UTJGZBDGKYXQGQ-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM O=C([N-]c1nc[nH]n1)c1cc(F)c(Br)cc1Cl ZINC000354703713 147120703 /nfs/dbraw/zinc/12/07/03/147120703.db2.gz JEBUIKILCOIXCA-UHFFFAOYSA-N -1 3 319.521 2.612 20 0 DFADHM CSc1nnc(NC(=O)COc2ccc(C(C)C)c(C)c2)[n-]1 ZINC000354779677 147148111 /nfs/dbraw/zinc/14/81/11/147148111.db2.gz YCPDYFFFPHHCLN-UHFFFAOYSA-N -1 3 320.418 2.976 20 0 DFADHM CSc1n[n-]c(NC(=O)COc2ccc(C(C)C)c(C)c2)n1 ZINC000354779677 147148114 /nfs/dbraw/zinc/14/81/14/147148114.db2.gz YCPDYFFFPHHCLN-UHFFFAOYSA-N -1 3 320.418 2.976 20 0 DFADHM CSc1nc(NC(=O)COc2ccc(C(C)C)c(C)c2)n[n-]1 ZINC000354779677 147148118 /nfs/dbraw/zinc/14/81/18/147148118.db2.gz YCPDYFFFPHHCLN-UHFFFAOYSA-N -1 3 320.418 2.976 20 0 DFADHM Cn1cc(C(C)(C)NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000527466836 543430153 /nfs/dbraw/zinc/43/01/53/543430153.db2.gz OMEHUPRQLZYEAM-UHFFFAOYSA-N -1 3 309.369 2.944 20 0 DFADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)CCc1ccccc1 ZINC000355266707 147246047 /nfs/dbraw/zinc/24/60/47/147246047.db2.gz KFRSCXUHFPHOTB-UHFFFAOYSA-N -1 3 315.345 2.640 20 0 DFADHM O=C(COCC1CCCC1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000556817827 543443534 /nfs/dbraw/zinc/44/35/34/543443534.db2.gz GJBQMSPALFJUOF-UHFFFAOYSA-N -1 3 318.352 2.756 20 0 DFADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000532673350 543435975 /nfs/dbraw/zinc/43/59/75/543435975.db2.gz RTPCPZSVSQMSNQ-OCCSQVGLSA-N -1 3 313.405 2.945 20 0 DFADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000532673350 543435977 /nfs/dbraw/zinc/43/59/77/543435977.db2.gz RTPCPZSVSQMSNQ-OCCSQVGLSA-N -1 3 313.405 2.945 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCCOc2ccccc2)c(F)c1 ZINC000355419122 147308439 /nfs/dbraw/zinc/30/84/39/147308439.db2.gz LLOFNMBSXRICHV-UHFFFAOYSA-N -1 3 323.389 2.882 20 0 DFADHM O=C([C@@H]1CCC[C@@H]2CCCC[C@H]12)N1CCc2nc[n-]c(=O)c2C1 ZINC000329210490 304346157 /nfs/dbraw/zinc/34/61/57/304346157.db2.gz ZPBWZLGMZHHIGN-MELADBBJSA-N -1 3 315.417 2.673 20 0 DFADHM CC(=O)c1ccc([N-]S(=O)(=O)CCc2cccs2)cc1 ZINC000357476320 148006375 /nfs/dbraw/zinc/00/63/75/148006375.db2.gz PLLDHOPPCALJLG-UHFFFAOYSA-N -1 3 309.412 2.935 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000357525237 148023358 /nfs/dbraw/zinc/02/33/58/148023358.db2.gz UCJUHGLTQULEAF-UHFFFAOYSA-N -1 3 319.364 2.776 20 0 DFADHM O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1nc[n-]n1 ZINC000357614345 148059646 /nfs/dbraw/zinc/05/96/46/148059646.db2.gz CDBQYOPRYRFKHO-UHFFFAOYSA-N -1 3 322.193 2.677 20 0 DFADHM O=C(Nc1cccc2c1CCO2)c1c[n-]c2ccccc2c1=O ZINC000357668747 148078451 /nfs/dbraw/zinc/07/84/51/148078451.db2.gz CANLBIIAXGAGSJ-UHFFFAOYSA-N -1 3 306.321 2.715 20 0 DFADHM O=C(Nc1cccc2c1CCO2)c1cnc2ccccc2c1[O-] ZINC000357668747 148078455 /nfs/dbraw/zinc/07/84/55/148078455.db2.gz CANLBIIAXGAGSJ-UHFFFAOYSA-N -1 3 306.321 2.715 20 0 DFADHM Cc1ccc(NC(=O)Cc2cc(F)cc3c2OCOC3)c([O-])c1 ZINC000357836253 148142608 /nfs/dbraw/zinc/14/26/08/148142608.db2.gz AGMKDWUSKOQNMN-UHFFFAOYSA-N -1 3 317.316 2.887 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cccs2)c(F)c1 ZINC000358018707 148214440 /nfs/dbraw/zinc/21/44/40/148214440.db2.gz QLUGTENNWSNWTL-SECBINFHSA-N -1 3 315.391 2.935 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)[n-]c(=O)n1 ZINC000358085865 148238267 /nfs/dbraw/zinc/23/82/67/148238267.db2.gz GVOJVHUIHHMUMW-GXTWGEPZSA-N -1 3 315.348 2.696 20 0 DFADHM Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000358148931 148261395 /nfs/dbraw/zinc/26/13/95/148261395.db2.gz KNKOJLFCXOXKGE-BDJLRTHQSA-N -1 3 303.333 2.943 20 0 DFADHM CCOc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000350360016 286031699 /nfs/dbraw/zinc/03/16/99/286031699.db2.gz TXEQGBLIZGBGOW-UHFFFAOYSA-N -1 3 318.348 2.929 20 0 DFADHM COc1cccc(CO[C@@H](C)C(=O)[N-]c2onc(C)c2C)c1 ZINC000358331788 148332757 /nfs/dbraw/zinc/33/27/57/148332757.db2.gz AREZFJYDZNWFQN-LBPRGKRZSA-N -1 3 304.346 2.844 20 0 DFADHM O=S(=O)([N-]CCC1CCOCC1)c1cccc(Cl)c1F ZINC000358371127 148343927 /nfs/dbraw/zinc/34/39/27/148343927.db2.gz AUEUCZFVEKBNRS-UHFFFAOYSA-N -1 3 321.801 2.574 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c(F)c2)o1 ZINC000358426996 148358208 /nfs/dbraw/zinc/35/82/08/148358208.db2.gz MTAGOPQADNKOBE-VIFPVBQESA-N -1 3 301.314 2.906 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)o1 ZINC000358460579 148366755 /nfs/dbraw/zinc/36/67/55/148366755.db2.gz FAFAZOPZAWAIGD-UHFFFAOYSA-N -1 3 304.371 2.590 20 0 DFADHM O=C(NCCC1=CCCCC1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000358608011 148397532 /nfs/dbraw/zinc/39/75/32/148397532.db2.gz KVHDNRJIIYMURF-UHFFFAOYSA-N -1 3 317.315 2.513 20 0 DFADHM O=C(NCCC1=CCCCC1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000358608011 148397537 /nfs/dbraw/zinc/39/75/37/148397537.db2.gz KVHDNRJIIYMURF-UHFFFAOYSA-N -1 3 317.315 2.513 20 0 DFADHM O=C(NCCC1=CCCCC1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000358608011 148397543 /nfs/dbraw/zinc/39/75/43/148397543.db2.gz KVHDNRJIIYMURF-UHFFFAOYSA-N -1 3 317.315 2.513 20 0 DFADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2cnccn2)no1 ZINC000350400061 286035366 /nfs/dbraw/zinc/03/53/66/286035366.db2.gz QEZZJQYIQVISOG-UHFFFAOYSA-N -1 3 319.683 2.571 20 0 DFADHM CO[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000371865461 286041240 /nfs/dbraw/zinc/04/12/40/286041240.db2.gz VJSBJJFWZAISQI-AWEZNQCLSA-N -1 3 303.402 2.912 20 0 DFADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2ccon2)no1 ZINC000350423124 286038259 /nfs/dbraw/zinc/03/82/59/286038259.db2.gz OLTKFTPLXBXWHI-UHFFFAOYSA-N -1 3 308.656 2.769 20 0 DFADHM Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1ccccc1[O-] ZINC000350704078 286075897 /nfs/dbraw/zinc/07/58/97/286075897.db2.gz XEYFXXQVXPYFCH-UHFFFAOYSA-N -1 3 323.146 2.816 20 0 DFADHM Cc1cc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)ccc1Cl ZINC000361012656 149007231 /nfs/dbraw/zinc/00/72/31/149007231.db2.gz KQFYQYNBRNHWAU-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM Cc1cc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)ccc1Cl ZINC000361012656 149007235 /nfs/dbraw/zinc/00/72/35/149007235.db2.gz KQFYQYNBRNHWAU-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)ccc1Cl ZINC000361012656 149007237 /nfs/dbraw/zinc/00/72/37/149007237.db2.gz KQFYQYNBRNHWAU-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM O=C1C[C@@H](NCc2cc([O-])cc(F)c2)CN1c1ccccc1F ZINC000361236713 149061856 /nfs/dbraw/zinc/06/18/56/149061856.db2.gz LLLQCFJNKLGNIE-CYBMUJFWSA-N -1 3 318.323 2.566 20 0 DFADHM Cc1nc(C)c(CC(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)c(=O)[n-]1 ZINC000361274713 149072128 /nfs/dbraw/zinc/07/21/28/149072128.db2.gz SOJAIBGVEMOKPK-MJVIPROJSA-N -1 3 305.422 2.530 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N(C)Cc3ccc(O)cc3)c[n-]c12 ZINC000361338295 149088938 /nfs/dbraw/zinc/08/89/38/149088938.db2.gz WHTOJGARZIPGDU-UHFFFAOYSA-N -1 3 322.364 2.814 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)NCCCc3ccccn3)c[n-]c12 ZINC000361565970 149150116 /nfs/dbraw/zinc/15/01/16/149150116.db2.gz PIDANHIRSXPBFT-UHFFFAOYSA-N -1 3 321.380 2.594 20 0 DFADHM CC[C@@]1(C)CCCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000361703506 149196044 /nfs/dbraw/zinc/19/60/44/149196044.db2.gz UAMYTTPCVJJELV-LBPRGKRZSA-N -1 3 319.331 2.545 20 0 DFADHM CC[C@@]1(C)CCCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000361703506 149196045 /nfs/dbraw/zinc/19/60/45/149196045.db2.gz UAMYTTPCVJJELV-LBPRGKRZSA-N -1 3 319.331 2.545 20 0 DFADHM CC[C@@]1(C)CCCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000361703506 149196048 /nfs/dbraw/zinc/19/60/48/149196048.db2.gz UAMYTTPCVJJELV-LBPRGKRZSA-N -1 3 319.331 2.545 20 0 DFADHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1(C)C ZINC000361809548 149225343 /nfs/dbraw/zinc/22/53/43/149225343.db2.gz PSPRVIXTFRVXPG-KGLIPLIRSA-N -1 3 315.410 2.696 20 0 DFADHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccs2)C1(C)C ZINC000361821330 149228897 /nfs/dbraw/zinc/22/88/97/149228897.db2.gz PFNPBQNUDBUOKF-MNOVXSKESA-N -1 3 303.449 2.619 20 0 DFADHM Cc1cccc(C)c1OC[C@@H](NC(=O)c1c[n-]nn1)C(C)(C)C ZINC000362646754 149332593 /nfs/dbraw/zinc/33/25/93/149332593.db2.gz SSXMSMOSUKFDEE-CQSZACIVSA-N -1 3 316.405 2.645 20 0 DFADHM Cc1cccc(C)c1OC[C@@H](NC(=O)c1cnn[n-]1)C(C)(C)C ZINC000362646754 149332596 /nfs/dbraw/zinc/33/25/96/149332596.db2.gz SSXMSMOSUKFDEE-CQSZACIVSA-N -1 3 316.405 2.645 20 0 DFADHM Cc1cccc(C)c1OC[C@@H](NC(=O)c1cn[n-]n1)C(C)(C)C ZINC000362646754 149332598 /nfs/dbraw/zinc/33/25/98/149332598.db2.gz SSXMSMOSUKFDEE-CQSZACIVSA-N -1 3 316.405 2.645 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000362762556 149360886 /nfs/dbraw/zinc/36/08/86/149360886.db2.gz KIWRKRZTLCDONW-LLVKDONJSA-N -1 3 315.822 2.983 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)s1 ZINC000362913586 149395199 /nfs/dbraw/zinc/39/51/99/149395199.db2.gz RXTFAIGKFYFZCD-MCIGGMRASA-N -1 3 300.449 2.617 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c(F)c1 ZINC000362916250 149395554 /nfs/dbraw/zinc/39/55/54/149395554.db2.gz FTKUJPYNQSKORW-JTQLQIEISA-N -1 3 307.337 2.990 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)cn1 ZINC000351166934 286113693 /nfs/dbraw/zinc/11/36/93/286113693.db2.gz KWMCBDCCKFOVDA-UHFFFAOYSA-N -1 3 304.362 2.636 20 0 DFADHM COc1cccc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000367861834 149652594 /nfs/dbraw/zinc/65/25/94/149652594.db2.gz SXBKHORLCOUSDX-AWEZNQCLSA-N -1 3 312.369 2.501 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371655360 150076849 /nfs/dbraw/zinc/07/68/49/150076849.db2.gz KLXVSXLNLRXXEI-ZDUSSCGKSA-N -1 3 323.352 2.535 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000371746507 150089506 /nfs/dbraw/zinc/08/95/06/150089506.db2.gz KADKICBESRDITB-SFHVURJKSA-N -1 3 321.380 2.954 20 0 DFADHM CCCCCS(=O)(=O)[N-][C@@H](c1nc(C)no1)c1ccccc1 ZINC000371957849 150117869 /nfs/dbraw/zinc/11/78/69/150117869.db2.gz AXUJRBZHRMOFSF-CQSZACIVSA-N -1 3 323.418 2.577 20 0 DFADHM C[C@@H]1Oc2c(cccc2F)[C@@H]1[N-]S(=O)(=O)Cc1ccccc1 ZINC000371977638 150119478 /nfs/dbraw/zinc/11/94/78/150119478.db2.gz DWQFYWITTIZCEA-XHDPSFHLSA-N -1 3 321.373 2.767 20 0 DFADHM C[C@H]1Oc2c(cccc2F)[C@H]1[N-]S(=O)(=O)Cc1ccccc1 ZINC000371977631 150119488 /nfs/dbraw/zinc/11/94/88/150119488.db2.gz DWQFYWITTIZCEA-ABAIWWIYSA-N -1 3 321.373 2.767 20 0 DFADHM O=C(Cc1ccco1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000372257425 150154965 /nfs/dbraw/zinc/15/49/65/150154965.db2.gz BDCYMNCCALVWAW-UHFFFAOYSA-N -1 3 304.256 2.524 20 0 DFADHM O=C(Cc1ccco1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000372257425 150154968 /nfs/dbraw/zinc/15/49/68/150154968.db2.gz BDCYMNCCALVWAW-UHFFFAOYSA-N -1 3 304.256 2.524 20 0 DFADHM O=C(Cc1ccco1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000372257425 150154970 /nfs/dbraw/zinc/15/49/70/150154970.db2.gz BDCYMNCCALVWAW-UHFFFAOYSA-N -1 3 304.256 2.524 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])C1(O)Cc2ccccc2C1 ZINC000372265823 150155460 /nfs/dbraw/zinc/15/54/60/150155460.db2.gz FLVAVHXRGNISQJ-UHFFFAOYSA-N -1 3 303.745 2.514 20 0 DFADHM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000372375198 150169483 /nfs/dbraw/zinc/16/94/83/150169483.db2.gz VBLHPXTYEVGWMQ-WZRBSPASSA-N -1 3 320.364 2.507 20 0 DFADHM COc1cccc(C(=O)N(C)[C@H]2CCCc3cccnc32)c1[O-] ZINC000372760153 150181084 /nfs/dbraw/zinc/18/10/84/150181084.db2.gz BIYGAHWGNAXBSN-AWEZNQCLSA-N -1 3 312.369 2.945 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1COc2ccc(Cl)cc21 ZINC000372829874 150190003 /nfs/dbraw/zinc/19/00/03/150190003.db2.gz GVCUIWKLMHXABB-LBPRGKRZSA-N -1 3 321.735 2.977 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](Oc3ccc(C)nc3)C2)c1 ZINC000373045904 150221096 /nfs/dbraw/zinc/22/10/96/150221096.db2.gz UDQOSNVXEZUZON-HNNXBMFYSA-N -1 3 312.369 2.698 20 0 DFADHM CSc1ccc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c([O-])c1 ZINC000373052729 150223137 /nfs/dbraw/zinc/22/31/37/150223137.db2.gz AWXQRBSNVSQBHF-GOEBONIOSA-N -1 3 315.394 2.502 20 0 DFADHM CSc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c([O-])c1 ZINC000373058308 150223684 /nfs/dbraw/zinc/22/36/84/150223684.db2.gz OWSVTGYUXZKZOM-JKSUJKDBSA-N -1 3 315.394 2.502 20 0 DFADHM CSc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([O-])c1 ZINC000373070941 150226630 /nfs/dbraw/zinc/22/66/30/150226630.db2.gz QMPKKEJNSZMPPZ-IACUBPJLSA-N -1 3 307.415 2.657 20 0 DFADHM CCO[C@H]1C[C@H](N(C)C(=O)c2csc(=O)[n-]2)C12CCCC2 ZINC000373239492 150252425 /nfs/dbraw/zinc/25/24/25/150252425.db2.gz LTRNJSURXBRUKV-RYUDHWBXSA-N -1 3 310.419 2.659 20 0 DFADHM CCOc1nc2cc(C(=O)NCC(F)(F)C(F)F)ccc2[n-]1 ZINC000438874065 297105568 /nfs/dbraw/zinc/10/55/68/297105568.db2.gz BWRBDAUHFMVPCY-UHFFFAOYSA-N -1 3 319.258 2.592 20 0 DFADHM CCOc1nc2ccc(C(=O)NCC(F)(F)C(F)F)cc2[n-]1 ZINC000438874065 297105570 /nfs/dbraw/zinc/10/55/70/297105570.db2.gz BWRBDAUHFMVPCY-UHFFFAOYSA-N -1 3 319.258 2.592 20 0 DFADHM O=C(N[C@H](c1ccccc1)c1ccncc1)c1csc(=O)[n-]1 ZINC000375067918 150395144 /nfs/dbraw/zinc/39/51/44/150395144.db2.gz FOTFOGZHUNBKPR-CQSZACIVSA-N -1 3 311.366 2.763 20 0 DFADHM COc1cccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)c1 ZINC000426798368 296640922 /nfs/dbraw/zinc/64/09/22/296640922.db2.gz IAJOTQJXUMUWES-MRXNPFEDSA-N -1 3 319.332 2.758 20 0 DFADHM Cc1cc(C)cc([C@H](NCc2cnn(C(C)C)c2)C(=O)[O-])c1 ZINC000426752665 296639533 /nfs/dbraw/zinc/63/95/33/296639533.db2.gz AWBISQHXRDOULC-INIZCTEOSA-N -1 3 301.390 2.996 20 0 DFADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000377382034 150682837 /nfs/dbraw/zinc/68/28/37/150682837.db2.gz KEAIXXIIBLCFFG-BZNIZROVSA-N -1 3 321.373 2.767 20 0 DFADHM C[C@@H]1C[C@H]1CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000351761511 286212425 /nfs/dbraw/zinc/21/24/25/286212425.db2.gz CRODPIQVMDANEG-OCCSQVGLSA-N -1 3 316.401 2.615 20 0 DFADHM C[C@@H](O[N-]C(=O)/C=C\c1ccc(C(N)=O)cc1)c1ccccc1 ZINC000493230353 299740154 /nfs/dbraw/zinc/74/01/54/299740154.db2.gz WPJJHJGUFQPQNY-KIWPFMIBSA-N -1 3 310.353 2.608 20 0 DFADHM O=S(=O)([N-]CCc1ccco1)c1ccc(F)cc1Cl ZINC000352028499 286273745 /nfs/dbraw/zinc/27/37/45/286273745.db2.gz UTAPGNIUGLEIHP-UHFFFAOYSA-N -1 3 303.742 2.593 20 0 DFADHM CSCC1CCC(NC(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000493248758 299743322 /nfs/dbraw/zinc/74/33/22/299743322.db2.gz FYSFEFMRDDGHDF-QPJJXVBHSA-N -1 3 306.431 2.838 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)s1 ZINC000352068626 286284389 /nfs/dbraw/zinc/28/43/89/286284389.db2.gz RJBCGBZGXFKWCK-SNVBAGLBSA-N -1 3 310.444 2.842 20 0 DFADHM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccoc2)c1 ZINC000352118510 286296716 /nfs/dbraw/zinc/29/67/16/286296716.db2.gz SWMGYTSQCFRRKM-UHFFFAOYSA-N -1 3 317.313 2.668 20 0 DFADHM COc1cc(C(=O)Nc2ccc3c(c2)COC3)cc(OC)c1[O-] ZINC000352151515 286305501 /nfs/dbraw/zinc/30/55/01/286305501.db2.gz RVXCQIIPJJTPQY-UHFFFAOYSA-N -1 3 315.325 2.692 20 0 DFADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@H](C2CC2)O1 ZINC000352170094 286311069 /nfs/dbraw/zinc/31/10/69/286311069.db2.gz KOYKOYXEUAHQKV-SJKOYZFVSA-N -1 3 321.392 2.880 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc(OC)c1[O-] ZINC000352283813 286335868 /nfs/dbraw/zinc/33/58/68/286335868.db2.gz JPIDGDZUZUDKSK-GMXVVIOVSA-N -1 3 307.390 2.964 20 0 DFADHM COC1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCC1 ZINC000451618769 297845551 /nfs/dbraw/zinc/84/55/51/297845551.db2.gz WMMLUHVPFBYLJF-UHFFFAOYSA-N -1 3 321.801 2.717 20 0 DFADHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000352345504 286349204 /nfs/dbraw/zinc/34/92/04/286349204.db2.gz MGIUYXIBHLALFE-UHFFFAOYSA-N -1 3 313.728 2.961 20 0 DFADHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000352338272 286346978 /nfs/dbraw/zinc/34/69/78/286346978.db2.gz QBCBFTGMWOGGMS-CPCISQLKSA-N -1 3 309.815 2.509 20 0 DFADHM Cc1c(F)cccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000352328157 286344778 /nfs/dbraw/zinc/34/47/78/286344778.db2.gz GQOYOQDAHLFJIU-UHFFFAOYSA-N -1 3 311.300 2.755 20 0 DFADHM CCC[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCOC1 ZINC000352329461 286345051 /nfs/dbraw/zinc/34/50/51/286345051.db2.gz KRJLTLQIOPQZCY-CYBMUJFWSA-N -1 3 321.801 2.717 20 0 DFADHM CCc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)s1 ZINC000352353487 286351089 /nfs/dbraw/zinc/35/10/89/286351089.db2.gz YCNRLEPZKLCYAW-UHFFFAOYSA-N -1 3 313.366 2.931 20 0 DFADHM C[C@@H](CC(=O)OC(C)(C)C)NCc1c(F)ccc([O-])c1F ZINC000352393952 286362304 /nfs/dbraw/zinc/36/23/04/286362304.db2.gz FOVAZJKZWHFBDS-VIFPVBQESA-N -1 3 301.333 2.880 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)[n-]1 ZINC000352413570 286367288 /nfs/dbraw/zinc/36/72/88/286367288.db2.gz PTXXAMDFKCVPKO-UHFFFAOYSA-N -1 3 324.340 2.752 20 0 DFADHM COc1ccc([C@H](CO)N(C)C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000272627745 286373558 /nfs/dbraw/zinc/37/35/58/286373558.db2.gz JZUOWBGJCDANIV-INIZCTEOSA-N -1 3 315.369 2.515 20 0 DFADHM O=S(=O)([N-]CCc1cccc(F)c1F)c1cccs1 ZINC000352462472 286380234 /nfs/dbraw/zinc/38/02/34/286380234.db2.gz RSLWHLJUEXBLJF-UHFFFAOYSA-N -1 3 303.355 2.547 20 0 DFADHM O=C(NCc1ncccc1[O-])C1(Cc2ccc(F)cc2)CC1 ZINC000352498264 286389152 /nfs/dbraw/zinc/38/91/52/286389152.db2.gz AMPCCDQQMQEQMZ-UHFFFAOYSA-N -1 3 300.333 2.565 20 0 DFADHM C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ncccc1[O-] ZINC000352498308 286389258 /nfs/dbraw/zinc/38/92/58/286389258.db2.gz BAEUIKZBGQRNNX-SNVBAGLBSA-N -1 3 306.749 2.524 20 0 DFADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCc2ncccc2[O-])c1 ZINC000352501578 286390116 /nfs/dbraw/zinc/39/01/16/286390116.db2.gz OVVQDOTVSVEKPB-NSHDSACASA-N -1 3 320.776 2.833 20 0 DFADHM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NCc1ncccc1[O-] ZINC000352516132 286394691 /nfs/dbraw/zinc/39/46/91/286394691.db2.gz KGOKJGMNGXGDLA-UHFFFAOYSA-N -1 3 322.368 2.724 20 0 DFADHM Cc1cccc2c(CCC(=O)NCc3ncccc3[O-])c[nH]c21 ZINC000352516791 286395012 /nfs/dbraw/zinc/39/50/12/286395012.db2.gz MWTUUBVSQGPEEY-UHFFFAOYSA-N -1 3 309.369 2.826 20 0 DFADHM CCOc1ccc(SCC(=O)NCc2ncccc2[O-])cc1 ZINC000352517274 286395280 /nfs/dbraw/zinc/39/52/80/286395280.db2.gz OPJWZGQCEHRVKO-UHFFFAOYSA-N -1 3 318.398 2.594 20 0 DFADHM C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ncccc1[O-] ZINC000352517811 286395406 /nfs/dbraw/zinc/39/54/06/286395406.db2.gz SKVHLZLMFFYSBF-JTQLQIEISA-N -1 3 306.749 2.524 20 0 DFADHM O=C(CSc1ccccc1Cl)NCc1ncccc1[O-] ZINC000352518285 286395597 /nfs/dbraw/zinc/39/55/97/286395597.db2.gz WJLBRGCUUUOLJY-UHFFFAOYSA-N -1 3 308.790 2.849 20 0 DFADHM CCC(CC)[C@H](CCNC(=O)c1ccc2n[n-]nc2c1)OC ZINC000438166696 297083512 /nfs/dbraw/zinc/08/35/12/297083512.db2.gz GPFDQYGQTZQUJF-HNNXBMFYSA-N -1 3 304.394 2.529 20 0 DFADHM CC[C@H](C(=O)NCc1ncccc1[O-])c1ccc(OC)cc1 ZINC000352505868 286391616 /nfs/dbraw/zinc/39/16/16/286391616.db2.gz CAULAQOTBONKFX-AWEZNQCLSA-N -1 3 300.358 2.606 20 0 DFADHM CC[C@@H](C)Oc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000352506075 286391945 /nfs/dbraw/zinc/39/19/45/286391945.db2.gz DBKLKBIWHZWCHU-GFCCVEGCSA-N -1 3 300.358 2.895 20 0 DFADHM COCCC(C)(C)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000352980736 286519305 /nfs/dbraw/zinc/51/93/05/286519305.db2.gz JATYXTZYUUJLCQ-UHFFFAOYSA-N -1 3 323.817 2.881 20 0 DFADHM [O-]c1ccc(F)c(CNCCOCC(F)(F)C(F)F)c1F ZINC000353219505 286582578 /nfs/dbraw/zinc/58/25/78/286582578.db2.gz NDGLOPVNOWWKEA-UHFFFAOYSA-N -1 3 317.229 2.677 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2C)C2CC2)c1 ZINC000353381266 286630345 /nfs/dbraw/zinc/63/03/45/286630345.db2.gz MPWJXSJSANGBJT-INIZCTEOSA-N -1 3 319.430 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426305693 /nfs/dbraw/zinc/30/56/93/426305693.db2.gz VINXGAHCDAPJLH-QFIPXVFZSA-N -1 3 317.410 2.710 20 0 DFADHM COc1ccc(C(=O)N2CCS[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000175486360 426307680 /nfs/dbraw/zinc/30/76/80/426307680.db2.gz RZCQLLIPICCGSO-HIFRSBDPSA-N -1 3 307.415 2.901 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2ccc(-n3cccn3)cc2)c1 ZINC000121200477 426324088 /nfs/dbraw/zinc/32/40/88/426324088.db2.gz KCXCRZRQDUIVGI-UHFFFAOYSA-N -1 3 309.325 2.839 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c(C)c1 ZINC000121243298 426328708 /nfs/dbraw/zinc/32/87/08/426328708.db2.gz BUJIOEAXYXYAEB-UHFFFAOYSA-N -1 3 317.370 2.681 20 0 DFADHM Cn1nccc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000175850795 426333227 /nfs/dbraw/zinc/33/32/27/426333227.db2.gz ABBCQTKUNYPVSY-UHFFFAOYSA-N -1 3 307.353 2.969 20 0 DFADHM COc1ccc([O-])c(C(=O)N(C)CCCOc2ccccc2)c1 ZINC000121337129 426334630 /nfs/dbraw/zinc/33/46/30/426334630.db2.gz BUBOVJCYGWTJPX-UHFFFAOYSA-N -1 3 315.369 2.942 20 0 DFADHM 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312.391 2.638 20 0 DFADHM CC(C)Oc1c(Cl)cccc1NC(=O)[N-]c1ncnn1C ZINC000091183110 426341625 /nfs/dbraw/zinc/34/16/25/426341625.db2.gz OBLREZPKUBMAOT-UHFFFAOYSA-N -1 3 309.757 2.900 20 0 DFADHM C[C@H]1OCC[C@H]1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000121510880 426347568 /nfs/dbraw/zinc/34/75/68/426347568.db2.gz AEEJQYUOCQEQNG-PRHODGIISA-N -1 3 324.229 2.590 20 0 DFADHM CO[C@@H](CNC(=O)c1c([O-])cccc1O)c1cccc(Cl)c1 ZINC000092123422 426348411 /nfs/dbraw/zinc/34/84/11/426348411.db2.gz IIQIEZFLFNOTPF-AWEZNQCLSA-N -1 3 321.760 2.869 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000092759409 426350737 /nfs/dbraw/zinc/35/07/37/426350737.db2.gz CUVUYMCQVXGYHN-KSSFIOAISA-N -1 3 303.402 2.722 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@H](C)CC(=O)c2ccco2)c1 ZINC000092600911 426351126 /nfs/dbraw/zinc/35/11/26/426351126.db2.gz JGEMBBZODBDMRX-LLVKDONJSA-N -1 3 301.342 2.939 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cc(CO)ccc2C)c1[O-] ZINC000092763167 426352372 /nfs/dbraw/zinc/35/23/72/426352372.db2.gz 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DFADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000177099772 426444403 /nfs/dbraw/zinc/44/44/03/426444403.db2.gz GLWATBJYWVBDTL-NXEZZACHSA-N -1 3 311.765 2.964 20 0 DFADHM CC[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1nc(-c2ccccc2)c[nH]1 ZINC000340771664 269010056 /nfs/dbraw/zinc/01/00/56/269010056.db2.gz FWQIRSVGDWERFG-CYBMUJFWSA-N -1 3 319.372 2.680 20 0 DFADHM COCc1cnc(NC(=O)Cc2ccc([O-])cc2Cl)s1 ZINC000340804682 269016301 /nfs/dbraw/zinc/01/63/01/269016301.db2.gz HORIITAOYLGDIX-UHFFFAOYSA-N -1 3 312.778 2.830 20 0 DFADHM COCc1cnc([N-]C(=O)c2c(F)cc(F)cc2F)s1 ZINC000340836377 269019461 /nfs/dbraw/zinc/01/94/61/269019461.db2.gz UISMZLJUTIXMAG-UHFFFAOYSA-N -1 3 302.277 2.959 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CCC[C@@H]3F)c[n-]c12 ZINC000340860610 269023223 /nfs/dbraw/zinc/02/32/23/269023223.db2.gz BYFPLCCRHYPWEZ-QWHCGFSZSA-N -1 3 306.312 2.596 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(CC(C)C)CCC1 ZINC000340872802 269025157 /nfs/dbraw/zinc/02/51/57/269025157.db2.gz 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/nfs/dbraw/zinc/47/18/84/426471884.db2.gz GVEGPVLZBVJSAY-ZDUSSCGKSA-N -1 3 321.801 2.635 20 0 DFADHM Cc1nc(C)c(CCC(=O)N(C)CCC2CCCCC2)c(=O)[n-]1 ZINC000101529475 426484476 /nfs/dbraw/zinc/48/44/76/426484476.db2.gz HBWKTXQJWCLZLT-UHFFFAOYSA-N -1 3 319.449 2.748 20 0 DFADHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2[O-])C1 ZINC000101630170 426485642 /nfs/dbraw/zinc/48/56/42/426485642.db2.gz TWXROCUVZDAEFP-ZIAGYGMSSA-N -1 3 318.417 2.924 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](c2nnc3ccccn32)C(C)C)c1[O-] ZINC000101829431 426486787 /nfs/dbraw/zinc/48/67/87/426486787.db2.gz RIOBQBWCKFVEPN-OAHLLOKOSA-N -1 3 324.384 2.870 20 0 DFADHM CCN(CC)C(=O)CCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186331972 426506728 /nfs/dbraw/zinc/50/67/28/426506728.db2.gz OLLHWZQJJCVLFF-ZDUSSCGKSA-N -1 3 318.417 2.881 20 0 DFADHM CCC(CC)N1C[C@H](C(=O)Nc2c(C)cccc2[O-])CC1=O ZINC000272369400 426509236 /nfs/dbraw/zinc/50/92/36/426509236.db2.gz APHVSHMJHXTFBQ-GFCCVEGCSA-N -1 3 304.390 2.676 20 0 DFADHM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([O-])c(C)c1 ZINC000272386836 426513149 /nfs/dbraw/zinc/51/31/49/426513149.db2.gz GJAASWXDQFNDCL-QEJZJMRPSA-N -1 3 317.385 2.647 20 0 DFADHM Cc1ccc([C@H]2CCN(c3nc4nncc-4c(O)[n-]3)C2)c(C)c1 ZINC000280185481 426514388 /nfs/dbraw/zinc/51/43/88/426514388.db2.gz FDGYRENWCCGAJC-LBPRGKRZSA-N -1 3 309.373 2.669 20 0 DFADHM CCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000264215117 426518625 /nfs/dbraw/zinc/51/86/25/426518625.db2.gz GGYNEPHGEXZIKZ-UHFFFAOYSA-N -1 3 324.324 2.816 20 0 DFADHM Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1[O-] ZINC000272423675 426521499 /nfs/dbraw/zinc/52/14/99/426521499.db2.gz BWJOTONOLSSWOU-INIZCTEOSA-N -1 3 316.376 2.872 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1[O-] ZINC000272419920 426521691 /nfs/dbraw/zinc/52/16/91/426521691.db2.gz BBUZDNOMMBQVHO-LBPRGKRZSA-N -1 3 313.353 2.963 20 0 DFADHM Cc1ccc(NCc2cc([O-])cc(F)c2)cc1S(C)(=O)=O ZINC000186406005 426521717 /nfs/dbraw/zinc/52/17/17/426521717.db2.gz LZJGUKLRICQREM-UHFFFAOYSA-N -1 3 309.362 2.855 20 0 DFADHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1[O-] ZINC000177818140 426527008 /nfs/dbraw/zinc/52/70/08/426527008.db2.gz BFZPZTMPHYVNRD-OLZOCXBDSA-N -1 3 308.809 2.744 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)C(C)C)c1 ZINC000288942561 426554863 /nfs/dbraw/zinc/55/48/63/426554863.db2.gz OEIZCAHCWAQDKL-CYBMUJFWSA-N -1 3 311.382 2.533 20 0 DFADHM COc1ccc(CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)c(OC)c1 ZINC000177913383 426536777 /nfs/dbraw/zinc/53/67/77/426536777.db2.gz IRFNTVSSIAQMQH-GFCCVEGCSA-N -1 3 317.389 2.701 20 0 DFADHM Cn1cc([C@@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)cn1 ZINC000264322163 426537000 /nfs/dbraw/zinc/53/70/00/426537000.db2.gz QLSYOTUCIAYGEY-INIZCTEOSA-N -1 3 322.368 2.651 20 0 DFADHM Cc1cccc(N2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC000177915331 426539431 /nfs/dbraw/zinc/53/94/31/426539431.db2.gz CLILAYIRRCBZFJ-HNNXBMFYSA-N -1 3 312.417 2.682 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CCOc2ccccc2C)n1 ZINC000177914948 426540239 /nfs/dbraw/zinc/54/02/39/426540239.db2.gz XJVXGSAXDNPSOH-AWEZNQCLSA-N -1 3 301.390 2.871 20 0 DFADHM Cc1cc(C)n2nc(C(=O)[N-]c3ncsc3C(C)C)nc2n1 ZINC000288856276 426542990 /nfs/dbraw/zinc/54/29/90/426542990.db2.gz MQUQJNHLAMRHPB-UHFFFAOYSA-N -1 3 316.390 2.573 20 0 DFADHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000280334913 426551927 /nfs/dbraw/zinc/55/19/27/426551927.db2.gz RKZQOJDHBNBPAA-GHMZBOCLSA-N -1 3 304.350 2.599 20 0 DFADHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000280334913 426551931 /nfs/dbraw/zinc/55/19/31/426551931.db2.gz RKZQOJDHBNBPAA-GHMZBOCLSA-N -1 3 304.350 2.599 20 0 DFADHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000280334913 426551935 /nfs/dbraw/zinc/55/19/35/426551935.db2.gz RKZQOJDHBNBPAA-GHMZBOCLSA-N -1 3 304.350 2.599 20 0 DFADHM O=C(NCCCCCCOc1ccc(Cl)cc1)c1c[n-]nn1 ZINC000186165970 426490176 /nfs/dbraw/zinc/49/01/76/426490176.db2.gz KSDQLTPOGBEXBU-UHFFFAOYSA-N -1 3 322.796 2.827 20 0 DFADHM O=C(NCCCCCCOc1ccc(Cl)cc1)c1cnn[n-]1 ZINC000186165970 426490179 /nfs/dbraw/zinc/49/01/79/426490179.db2.gz KSDQLTPOGBEXBU-UHFFFAOYSA-N -1 3 322.796 2.827 20 0 DFADHM O=C(NCCCCCCOc1ccc(Cl)cc1)c1cn[n-]n1 ZINC000186165970 426490180 /nfs/dbraw/zinc/49/01/80/426490180.db2.gz KSDQLTPOGBEXBU-UHFFFAOYSA-N -1 3 322.796 2.827 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)Cc1cccs1 ZINC000177512243 426491461 /nfs/dbraw/zinc/49/14/61/426491461.db2.gz QJTWWLCRWHVOET-VIFPVBQESA-N -1 3 317.457 2.728 20 0 DFADHM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000194773645 426492842 /nfs/dbraw/zinc/49/28/42/426492842.db2.gz AZMGCGDEYWYCTD-CMPLNLGQSA-N -1 3 315.373 2.613 20 0 DFADHM CCCC(=O)NC[C@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186202414 426493049 /nfs/dbraw/zinc/49/30/49/426493049.db2.gz QAIHPXAQCMQKEC-CYBMUJFWSA-N -1 3 308.397 2.660 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cccc(C(N)=O)c2)c2c([O-])cccc21 ZINC000186267058 426498539 /nfs/dbraw/zinc/49/85/39/426498539.db2.gz XXCIMTUZVYRSKZ-LLVKDONJSA-N -1 3 310.353 2.645 20 0 DFADHM O=C(CCc1cccc2c1OCO2)Nc1cc(F)ccc1[O-] ZINC000186259468 426498705 /nfs/dbraw/zinc/49/87/05/426498705.db2.gz XBXSFHLZUISLHQ-UHFFFAOYSA-N -1 3 303.289 2.831 20 0 DFADHM C[C@@H]1CCN(C(=O)CCCCc2c[nH]nn2)c2c([O-])cccc21 ZINC000186274910 426499691 /nfs/dbraw/zinc/49/96/91/426499691.db2.gz UWNBCVUIDADVOS-GFCCVEGCSA-N -1 3 314.389 2.764 20 0 DFADHM C[C@H]1CCN(C(=O)c2ccc3nnn(C)c3c2)c2c([O-])cccc21 ZINC000186310692 426502410 /nfs/dbraw/zinc/50/24/10/426502410.db2.gz YPRKCUIBOQDNSF-NSHDSACASA-N -1 3 322.368 2.828 20 0 DFADHM Cc1c(CCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)cnn1C ZINC000186321950 426504129 /nfs/dbraw/zinc/50/41/29/426504129.db2.gz GELWVRMLWJSMLB-GFCCVEGCSA-N -1 3 313.401 2.907 20 0 DFADHM Cc1n[nH]cc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000186624581 426566935 /nfs/dbraw/zinc/56/69/35/426566935.db2.gz IKYUKPULLUCNFY-UHFFFAOYSA-N -1 3 320.201 2.967 20 0 DFADHM CSc1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[n-]1 ZINC000264538445 426571205 /nfs/dbraw/zinc/57/12/05/426571205.db2.gz OIQBKHBHYSJZPC-HTQZYQBOSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000264538445 426571208 /nfs/dbraw/zinc/57/12/08/426571208.db2.gz OIQBKHBHYSJZPC-HTQZYQBOSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)n[n-]1 ZINC000264538445 426571211 /nfs/dbraw/zinc/57/12/11/426571211.db2.gz OIQBKHBHYSJZPC-HTQZYQBOSA-N -1 3 310.329 2.547 20 0 DFADHM Cc1nccn1C[C@@H](C)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000178105362 426571542 /nfs/dbraw/zinc/57/15/42/426571542.db2.gz XZJXNHFNZNIKPF-NSHDSACASA-N -1 3 321.808 2.546 20 0 DFADHM CC(C)(CCCO)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000221248660 426577813 /nfs/dbraw/zinc/57/78/13/426577813.db2.gz FSRFHBKNBAQIJP-UHFFFAOYSA-N -1 3 323.817 2.556 20 0 DFADHM CSCCON=C([O-])Nc1ccccc1-n1nc(C)cc1C ZINC000280448117 426577886 /nfs/dbraw/zinc/57/78/86/426577886.db2.gz FZSYBGGURCVJGP-UHFFFAOYSA-N -1 3 320.418 2.905 20 0 DFADHM CSCCO[N-]C(=O)Nc1ccccc1-n1nc(C)cc1C ZINC000280448117 426577888 /nfs/dbraw/zinc/57/78/88/426577888.db2.gz FZSYBGGURCVJGP-UHFFFAOYSA-N -1 3 320.418 2.905 20 0 DFADHM COc1cc(NC([O-])=NOCCSC)c(OC)cc1Cl ZINC000280635183 426621053 /nfs/dbraw/zinc/62/10/53/426621053.db2.gz XUZSAUYNNVLKEX-UHFFFAOYSA-N -1 3 320.798 2.773 20 0 DFADHM COc1cc(NC(=O)[N-]OCCSC)c(OC)cc1Cl ZINC000280635183 426621057 /nfs/dbraw/zinc/62/10/57/426621057.db2.gz XUZSAUYNNVLKEX-UHFFFAOYSA-N -1 3 320.798 2.773 20 0 DFADHM CO[C@@]1(C)CCCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000280463527 426581495 /nfs/dbraw/zinc/58/14/95/426581495.db2.gz FALNIFWPRMVJLS-SFHVURJKSA-N -1 3 314.385 2.890 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]CC[C@@H](O)c2ccccc2)c1F ZINC000273044514 426582004 /nfs/dbraw/zinc/58/20/04/426582004.db2.gz AOWJJUVXXXSXNA-CQSZACIVSA-N -1 3 323.389 2.536 20 0 DFADHM COCc1nc(Cc2noc(-c3cc(C)ccc3[O-])n2)cs1 ZINC000289100549 426584500 /nfs/dbraw/zinc/58/45/00/426584500.db2.gz MAIQUEZTYNXWAM-UHFFFAOYSA-N -1 3 317.370 2.944 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3c(C)cc(C)cc3C2)on1 ZINC000186722933 426585183 /nfs/dbraw/zinc/58/51/83/426585183.db2.gz APBLCZGFJIJHOU-AWEZNQCLSA-N -1 3 313.401 2.985 20 0 DFADHM C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc([O-])c(F)c2)CCO1 ZINC000273079966 426589427 /nfs/dbraw/zinc/58/94/27/426589427.db2.gz KZIZBYNAKKASLD-NEPJUHHUSA-N -1 3 310.369 2.536 20 0 DFADHM C[C@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)C(C)(C)C ZINC000265169296 426590315 /nfs/dbraw/zinc/59/03/15/426590315.db2.gz CSOXODYOKIPROL-SECBINFHSA-N -1 3 316.398 2.818 20 0 DFADHM CSCCON=C([O-])Nc1cccc(-n2nc(C)cc2C)c1 ZINC000280529446 426592218 /nfs/dbraw/zinc/59/22/18/426592218.db2.gz NLFKQEQIQDELEE-UHFFFAOYSA-N -1 3 320.418 2.905 20 0 DFADHM CSCCO[N-]C(=O)Nc1cccc(-n2nc(C)cc2C)c1 ZINC000280529446 426592220 /nfs/dbraw/zinc/59/22/20/426592220.db2.gz NLFKQEQIQDELEE-UHFFFAOYSA-N -1 3 320.418 2.905 20 0 DFADHM CC(C)c1cc(C(=O)NN2CCCNC2=O)c([O-])c(C(C)C)c1 ZINC000273113828 426595914 /nfs/dbraw/zinc/59/59/14/426595914.db2.gz RMDHTAVCWJQHOI-UHFFFAOYSA-N -1 3 319.405 2.699 20 0 DFADHM CCOCCO[N-]C(=O)/C=C/c1ccc(OC(C)C)c(C)c1 ZINC000186948091 426612054 /nfs/dbraw/zinc/61/20/54/426612054.db2.gz OWGQZCOXDFCHGK-VQHVLOKHSA-N -1 3 307.390 2.880 20 0 DFADHM C[C@H]1C[C@H](CC(=O)N2CCc3c(nc[n-]c3=O)C2)CC(C)(C)C1 ZINC000273207878 426616740 /nfs/dbraw/zinc/61/67/40/426616740.db2.gz JKCHNZCVVRHSGN-QWHCGFSZSA-N -1 3 317.433 2.919 20 0 DFADHM Cc1cc(CS(=O)(=O)[N-][C@@H](c2ncccc2C)C(C)C)no1 ZINC000265327327 426619105 /nfs/dbraw/zinc/61/91/05/426619105.db2.gz LVWFFDBSUPYJRS-CQSZACIVSA-N -1 3 323.418 2.503 20 0 DFADHM COC(=O)CCCO[N-]C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000288989236 426564539 /nfs/dbraw/zinc/56/45/39/426564539.db2.gz ZTHDZKRIHPEZSK-UHFFFAOYSA-N -1 3 316.304 2.805 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)c1F ZINC000273280965 426634418 /nfs/dbraw/zinc/63/44/18/426634418.db2.gz YDMPMSJYPNFAGD-ZDUSSCGKSA-N -1 3 321.373 2.806 20 0 DFADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000280724273 426642332 /nfs/dbraw/zinc/64/23/32/426642332.db2.gz JEGBJSAMAGAQKR-VXNVDRBHSA-N -1 3 324.265 2.896 20 0 DFADHM COC(=O)c1ccc([N-]C(=O)c2ocnc2C2CC2)c(F)c1 ZINC000289419558 426652508 /nfs/dbraw/zinc/65/25/08/426652508.db2.gz PQHNPTQGPBZCOR-UHFFFAOYSA-N -1 3 304.277 2.730 20 0 DFADHM O=C(Nc1cccc(NC([O-])=NOC/C=C/Cl)c1)C1CC1 ZINC000289426952 426653514 /nfs/dbraw/zinc/65/35/14/426653514.db2.gz DGJJMFOOABNUOG-FARCUNLSSA-N -1 3 309.753 2.841 20 0 DFADHM O=C([N-]OC/C=C/Cl)Nc1cccc(NC(=O)C2CC2)c1 ZINC000289426952 426653518 /nfs/dbraw/zinc/65/35/18/426653518.db2.gz DGJJMFOOABNUOG-FARCUNLSSA-N -1 3 309.753 2.841 20 0 DFADHM Cc1ccc([O-])c(-c2nc([C@H]3CN(C(C)C)CCO3)no2)c1 ZINC000273401756 426657507 /nfs/dbraw/zinc/65/75/07/426657507.db2.gz KSVXYTARACTJJE-CQSZACIVSA-N -1 3 303.362 2.532 20 0 DFADHM COCCS(=O)(=O)[N-]c1cccc(-c2csc(C)n2)c1 ZINC000265590255 426657608 /nfs/dbraw/zinc/65/76/08/426657608.db2.gz AXVSZDNGOCNDPO-UHFFFAOYSA-N -1 3 312.416 2.507 20 0 DFADHM CCCc1cc(NC([O-])=NOCc2ccc(F)cc2)n(C)n1 ZINC000273416228 426659894 /nfs/dbraw/zinc/65/98/94/426659894.db2.gz PPKUJVKDCLKIQH-UHFFFAOYSA-N -1 3 306.341 2.765 20 0 DFADHM CCCc1cc(NC(=O)[N-]OCc2ccc(F)cc2)n(C)n1 ZINC000273416228 426659898 /nfs/dbraw/zinc/65/98/98/426659898.db2.gz PPKUJVKDCLKIQH-UHFFFAOYSA-N -1 3 306.341 2.765 20 0 DFADHM CCCCCc1nnc([N-]C(=O)c2ccc(Cl)nn2)s1 ZINC000280816183 426661415 /nfs/dbraw/zinc/66/14/15/426661415.db2.gz RFXYFMPBEPOPFD-UHFFFAOYSA-N -1 3 311.798 2.967 20 0 DFADHM COc1ccc(NC([O-])=NOC/C=C/Cl)c(OC)c1OC ZINC000289455011 426662795 /nfs/dbraw/zinc/66/27/95/426662795.db2.gz BWBXHHAFXWQSHK-QPJJXVBHSA-N -1 3 316.741 2.518 20 0 DFADHM COc1ccc(NC(=O)[N-]OC/C=C/Cl)c(OC)c1OC ZINC000289455011 426662797 /nfs/dbraw/zinc/66/27/97/426662797.db2.gz BWBXHHAFXWQSHK-QPJJXVBHSA-N -1 3 316.741 2.518 20 0 DFADHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1conc1C1CC1 ZINC000280827893 426663111 /nfs/dbraw/zinc/66/31/11/426663111.db2.gz SLQGZPYNMOBGAG-UHFFFAOYSA-N -1 3 303.343 2.780 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc([C@@H](C)O)cc2)c1 ZINC000178616485 426666423 /nfs/dbraw/zinc/66/64/23/426666423.db2.gz HREPAPCTHHFFMU-GFCCVEGCSA-N -1 3 323.389 2.666 20 0 DFADHM COC(=O)c1cc(C(=O)[N-]c2sc3c(c2C)CCCC3)no1 ZINC000280837260 426667363 /nfs/dbraw/zinc/66/73/63/426667363.db2.gz ULERARZFANPKOE-UHFFFAOYSA-N -1 3 320.370 2.962 20 0 DFADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000187506419 426667928 /nfs/dbraw/zinc/66/79/28/426667928.db2.gz AMMOJHBHANXUIF-NWDGAFQWSA-N -1 3 310.419 2.823 20 0 DFADHM CC(F)(F)C(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000289318864 426627766 /nfs/dbraw/zinc/62/77/66/426627766.db2.gz WYENTXPLCPKEAY-JTQLQIEISA-N -1 3 316.735 2.607 20 0 DFADHM CCOC(=O)Nc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000274180883 426720665 /nfs/dbraw/zinc/72/06/65/426720665.db2.gz KDAWIEDHAMXEID-ZDUSSCGKSA-N -1 3 323.349 2.835 20 0 DFADHM CCOC(=O)Nc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000274180883 426720668 /nfs/dbraw/zinc/72/06/68/426720668.db2.gz KDAWIEDHAMXEID-ZDUSSCGKSA-N -1 3 323.349 2.835 20 0 DFADHM CCOC(=O)Nc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000274180881 426721525 /nfs/dbraw/zinc/72/15/25/426721525.db2.gz KDAWIEDHAMXEID-CYBMUJFWSA-N -1 3 323.349 2.835 20 0 DFADHM CCOC(=O)Nc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000274180881 426721529 /nfs/dbraw/zinc/72/15/29/426721529.db2.gz KDAWIEDHAMXEID-CYBMUJFWSA-N -1 3 323.349 2.835 20 0 DFADHM COC(=O)[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000178799889 426698342 /nfs/dbraw/zinc/69/83/42/426698342.db2.gz SPUHNROMIWUBIA-SSDOTTSWSA-N -1 3 305.252 2.549 20 0 DFADHM C[C@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)[C@@H]1CCCO1 ZINC000281070509 426699742 /nfs/dbraw/zinc/69/97/42/426699742.db2.gz SVUAZTGGTPJBQW-XPTSAGLGSA-N -1 3 323.776 2.809 20 0 DFADHM CCc1cnc(CCNC(=O)c2ccc(CC)cc2[O-])s1 ZINC000187873293 426701384 /nfs/dbraw/zinc/70/13/84/426701384.db2.gz HPWZHDGHFLJQNE-UHFFFAOYSA-N -1 3 304.415 2.946 20 0 DFADHM Cc1csc([C@@H]2COCCN2C(=O)c2cc(C)ccc2[O-])n1 ZINC000188579782 426766979 /nfs/dbraw/zinc/76/69/79/426766979.db2.gz YMHWXHYKZCLOAC-ZDUSSCGKSA-N -1 3 318.398 2.679 20 0 DFADHM COC(=O)CC1(CC(=O)Nc2cc(F)ccc2[O-])CCCC1 ZINC000188649307 426771878 /nfs/dbraw/zinc/77/18/78/426771878.db2.gz KXSBCLDECAPUMA-UHFFFAOYSA-N -1 3 309.337 2.983 20 0 DFADHM Cc1cc(C)c2c(c1)CN(C(=O)c1ccc3n[n-]nc3c1)CC2 ZINC000188648929 426772986 /nfs/dbraw/zinc/77/29/86/426772986.db2.gz OQANTIYJEZRHEN-UHFFFAOYSA-N -1 3 306.369 2.773 20 0 DFADHM Cc1ccc([O-])c(CN2CCSC[C@@H]2c2nccs2)n1 ZINC000274469257 426775343 /nfs/dbraw/zinc/77/53/43/426775343.db2.gz JHPKUHYKSWKQDL-GFCCVEGCSA-N -1 3 307.444 2.842 20 0 DFADHM Cc1cc(F)ccc1-n1cc(C(=O)Nc2ccccc2[O-])nn1 ZINC000179353390 426781804 /nfs/dbraw/zinc/78/18/04/426781804.db2.gz LHSWOGLUTRAMQB-UHFFFAOYSA-N -1 3 312.304 2.673 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccco1)c1ncc(-c2ccccc2)o1 ZINC000188715393 426781945 /nfs/dbraw/zinc/78/19/45/426781945.db2.gz AWJUROMAOKQMDP-NSHDSACASA-N -1 3 318.354 2.974 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1cccc(N2CCCC2=O)c1 ZINC000179394734 426784261 /nfs/dbraw/zinc/78/42/61/426784261.db2.gz PVJCOHQAEFLELC-VOTSOKGWSA-N -1 3 323.352 2.566 20 0 DFADHM CSc1ccc(NC(=O)c2cnc3c(cnn3C)c2[O-])cc1 ZINC000179397357 426785320 /nfs/dbraw/zinc/78/53/20/426785320.db2.gz OEFYIKDRWCTNBH-UHFFFAOYSA-N -1 3 314.370 2.648 20 0 DFADHM COCCN(Cc1ccccn1)C(=O)c1cc([O-])ccc1Cl ZINC000290527237 426785362 /nfs/dbraw/zinc/78/53/62/426785362.db2.gz OENFLJRXEAQUFT-UHFFFAOYSA-N -1 3 320.776 2.729 20 0 DFADHM CCCN(Cc1ccccc1)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179406634 426787479 /nfs/dbraw/zinc/78/74/79/426787479.db2.gz BLMVPNATHGZNKC-UHFFFAOYSA-N -1 3 324.384 2.726 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCS2)sc1Cl ZINC000188097010 426722997 /nfs/dbraw/zinc/72/29/97/426722997.db2.gz UTPKDKDTOBVIJF-MRVPVSSYSA-N -1 3 311.881 2.884 20 0 DFADHM CC(C)C(=O)Nc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000274240413 426727530 /nfs/dbraw/zinc/72/75/30/426727530.db2.gz UDSFVQUMPCOQGW-AWEZNQCLSA-N -1 3 321.377 2.861 20 0 DFADHM CC(C)C(=O)Nc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000274240413 426727532 /nfs/dbraw/zinc/72/75/32/426727532.db2.gz UDSFVQUMPCOQGW-AWEZNQCLSA-N -1 3 321.377 2.861 20 0 DFADHM Cc1nn(C)c(C)c1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000266518131 426729967 /nfs/dbraw/zinc/72/99/67/426729967.db2.gz HZQOVAVUCZHLJT-UHFFFAOYSA-N -1 3 301.390 2.796 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)cnc1Cl ZINC000281637055 426734666 /nfs/dbraw/zinc/73/46/66/426734666.db2.gz MBSKMHAZHWVFII-SECBINFHSA-N -1 3 324.780 2.757 20 0 DFADHM CCOC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(C)C ZINC000188391495 426749392 /nfs/dbraw/zinc/74/93/92/426749392.db2.gz BOGCJTBXFVMLIM-ZDUSSCGKSA-N -1 3 321.389 2.613 20 0 DFADHM CC[C@H](CC1CCCCC1)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179097790 426750460 /nfs/dbraw/zinc/75/04/60/426750460.db2.gz BPTMWJZQALVNSI-CQSZACIVSA-N -1 3 317.433 2.651 20 0 DFADHM COC(=O)c1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000188431127 426752350 /nfs/dbraw/zinc/75/23/50/426752350.db2.gz JOZGPHQJJQRHGR-UHFFFAOYSA-N -1 3 322.324 2.511 20 0 DFADHM O=S(=O)([N-]CCOc1ccc2ccccc2c1)c1ccco1 ZINC000188576105 426765453 /nfs/dbraw/zinc/76/54/53/426765453.db2.gz DWZGFFBSFCIJGI-UHFFFAOYSA-N -1 3 317.366 2.790 20 0 DFADHM CCCCCC[C@@H](C)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000274609603 426801761 /nfs/dbraw/zinc/80/17/61/426801761.db2.gz WIGZIBFHUSOXCB-CYBMUJFWSA-N -1 3 306.406 2.597 20 0 DFADHM CCS(=O)(=O)[N-]c1ccccc1-c1ncc2n1CCCC2 ZINC000281960529 426801723 /nfs/dbraw/zinc/80/17/23/426801723.db2.gz KQGWXSNHWFZYLF-UHFFFAOYSA-N -1 3 305.403 2.648 20 0 DFADHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000246160823 426805654 /nfs/dbraw/zinc/80/56/54/426805654.db2.gz IFPZHBWEOKOJND-MNOVXSKESA-N -1 3 312.360 2.521 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CCO)c1ccccc1 ZINC000274641863 426808745 /nfs/dbraw/zinc/80/87/45/426808745.db2.gz AYMWNTQAQQQZLP-OAHLLOKOSA-N -1 3 323.389 2.536 20 0 DFADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(C2CC2)cs1 ZINC000267025408 426813823 /nfs/dbraw/zinc/81/38/23/426813823.db2.gz QNROEOTURQMONR-UHFFFAOYSA-N -1 3 322.415 2.799 20 0 DFADHM C[C@H](O)CN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179706688 426814288 /nfs/dbraw/zinc/81/42/88/426814288.db2.gz JJNVURSPYYIONC-LBPRGKRZSA-N -1 3 301.342 2.637 20 0 DFADHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1 ZINC000246270453 426815288 /nfs/dbraw/zinc/81/52/88/426815288.db2.gz AGKVUOJTFDUNLK-BXUZGUMPSA-N -1 3 319.430 2.768 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cn1 ZINC000179803393 426820264 /nfs/dbraw/zinc/82/02/64/426820264.db2.gz LATFXEDXZQSTHY-UHFFFAOYSA-N -1 3 320.732 2.788 20 0 DFADHM CC[C@H](C)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000267090701 426823901 /nfs/dbraw/zinc/82/39/01/426823901.db2.gz UOYIOBWJTOBTMC-QMMMGPOBSA-N -1 3 322.224 2.535 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCCOC1)c1ccc(Cl)cc1Cl ZINC000282078178 426824757 /nfs/dbraw/zinc/82/47/57/426824757.db2.gz WCDRPNSKLHEGRA-VIFPVBQESA-N -1 3 324.229 2.698 20 0 DFADHM Cc1nc2sccn2c1CN(C)C(=O)c1cccc(C)c1[O-] ZINC000267137649 426830895 /nfs/dbraw/zinc/83/08/95/426830895.db2.gz GMOKZKOKZSETAD-UHFFFAOYSA-N -1 3 315.398 2.990 20 0 DFADHM COc1cc([N-]S(=O)(=O)CCC(C)(C)C)cc(OC)c1 ZINC000267154914 426833253 /nfs/dbraw/zinc/83/32/53/426833253.db2.gz OXHYJXPYXNGTOZ-UHFFFAOYSA-N -1 3 301.408 2.882 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N(C(C)C)C2CCC2)c([O-])c1 ZINC000180053376 426833777 /nfs/dbraw/zinc/83/37/77/426833777.db2.gz AKCQCLJKIGPFON-UHFFFAOYSA-N -1 3 318.417 2.610 20 0 DFADHM O=C([N-]Cc1ccc(N2CCCCC2)nc1)C(F)(F)C(F)F ZINC000267169617 426836457 /nfs/dbraw/zinc/83/64/57/426836457.db2.gz CMSXPTUAXRZSQG-UHFFFAOYSA-N -1 3 319.302 2.589 20 0 DFADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)ccc2O1 ZINC000295151473 426841128 /nfs/dbraw/zinc/84/11/28/426841128.db2.gz BTAHGCHKOMZLSK-MRVPVSSYSA-N -1 3 323.336 2.629 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CCCC(F)(F)C1 ZINC000282173500 426843336 /nfs/dbraw/zinc/84/33/36/426843336.db2.gz VGAOYWLPNKYHTB-SECBINFHSA-N -1 3 307.304 2.631 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CCCC(F)(F)C1 ZINC000282173500 426843339 /nfs/dbraw/zinc/84/33/39/426843339.db2.gz VGAOYWLPNKYHTB-SECBINFHSA-N -1 3 307.304 2.631 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CCCC(F)(F)C1 ZINC000282173500 426843345 /nfs/dbraw/zinc/84/33/45/426843345.db2.gz VGAOYWLPNKYHTB-SECBINFHSA-N -1 3 307.304 2.631 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCCC2(F)F)n[n-]1 ZINC000295172802 426848318 /nfs/dbraw/zinc/84/83/18/426848318.db2.gz FRVHLSBFFBVCMF-VIFPVBQESA-N -1 3 309.320 2.574 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCCC2(F)F)[n-]n1 ZINC000295172802 426848325 /nfs/dbraw/zinc/84/83/25/426848325.db2.gz FRVHLSBFFBVCMF-VIFPVBQESA-N -1 3 309.320 2.574 20 0 DFADHM Cc1noc([C@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)n1 ZINC000290835193 426851281 /nfs/dbraw/zinc/85/12/81/426851281.db2.gz HWEKRMIYDVUFJR-GFCCVEGCSA-N -1 3 307.737 2.714 20 0 DFADHM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)cc1C)OCO2 ZINC000180358587 426854429 /nfs/dbraw/zinc/85/44/29/426854429.db2.gz HVMAGVYBDDOULO-UHFFFAOYSA-N -1 3 323.345 2.972 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC(OC2CCCC2)CC1 ZINC000179467576 426791814 /nfs/dbraw/zinc/79/18/14/426791814.db2.gz AHLMYFUMQYWSJY-AATRIKPKSA-N -1 3 316.401 2.751 20 0 DFADHM Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(O)cc1[O-] ZINC000179473857 426792361 /nfs/dbraw/zinc/79/23/61/426792361.db2.gz QIKRLKOXWVSOLH-UHFFFAOYSA-N -1 3 310.353 2.860 20 0 DFADHM CC1(C)CCC[C@@H]1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000274566377 426792749 /nfs/dbraw/zinc/79/27/49/426792749.db2.gz COSZSJYEDNWJLG-LLVKDONJSA-N -1 3 310.419 2.823 20 0 DFADHM Cc1ccc(OCCCNC(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000179469061 426792958 /nfs/dbraw/zinc/79/29/58/426792958.db2.gz ZDLCNMNGHUCDTH-VMPITWQZSA-N -1 3 312.369 2.694 20 0 DFADHM CC(C)(O)c1cnc([N-]C(=O)c2nc(Cl)cs2)s1 ZINC000290558006 426793110 /nfs/dbraw/zinc/79/31/10/426793110.db2.gz NEIHKPUVAXLJKS-UHFFFAOYSA-N -1 3 303.796 2.733 20 0 DFADHM CSc1nnc(NC(=O)CCCOc2ccc(C)c(C)c2)[n-]1 ZINC000266914335 426794726 /nfs/dbraw/zinc/79/47/26/426794726.db2.gz ICBFSJNMQQJCRL-UHFFFAOYSA-N -1 3 320.418 2.941 20 0 DFADHM CSc1n[n-]c(NC(=O)CCCOc2ccc(C)c(C)c2)n1 ZINC000266914335 426794729 /nfs/dbraw/zinc/79/47/29/426794729.db2.gz ICBFSJNMQQJCRL-UHFFFAOYSA-N -1 3 320.418 2.941 20 0 DFADHM CSc1nc(NC(=O)CCCOc2ccc(C)c(C)c2)n[n-]1 ZINC000266914335 426794733 /nfs/dbraw/zinc/79/47/33/426794733.db2.gz ICBFSJNMQQJCRL-UHFFFAOYSA-N -1 3 320.418 2.941 20 0 DFADHM Cc1ccc(O[C@@H](C)C(=O)[N-]c2nncn2-c2ccccc2)cc1 ZINC000181111586 426914657 /nfs/dbraw/zinc/91/46/57/426914657.db2.gz QCDVTYTYQDNSPT-AWEZNQCLSA-N -1 3 322.368 2.982 20 0 DFADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000275795107 426919826 /nfs/dbraw/zinc/91/98/26/426919826.db2.gz OBIOUDSJQIBNQN-UHFFFAOYSA-N -1 3 322.405 2.731 20 0 DFADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)cn1 ZINC000181122891 426919924 /nfs/dbraw/zinc/91/99/24/426919924.db2.gz NNTBXRBFCNVVAT-UHFFFAOYSA-N -1 3 310.350 2.729 20 0 DFADHM C[C@H](O)C[C@H](C)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000189465067 426860645 /nfs/dbraw/zinc/86/06/45/426860645.db2.gz ZDGFGOKRZRCPKP-IUCAKERBSA-N -1 3 305.296 2.548 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]CC(C)(C)c1ccccn1 ZINC000295201274 426861779 /nfs/dbraw/zinc/86/17/79/426861779.db2.gz FIXLVFREQKRZEP-UHFFFAOYSA-N -1 3 322.405 2.785 20 0 DFADHM COc1cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc(OC)c1[O-] ZINC000290879613 426863143 /nfs/dbraw/zinc/86/31/43/426863143.db2.gz BQULHDNBMDFACT-MRXNPFEDSA-N -1 3 317.385 2.814 20 0 DFADHM CCc1cc(=O)[n-]c(CN2C[C@H](C)OC[C@H]2c2ccccc2)n1 ZINC000246793637 426865624 /nfs/dbraw/zinc/86/56/24/426865624.db2.gz XUYFUGHHBFYPEP-BBRMVZONSA-N -1 3 313.401 2.707 20 0 DFADHM CSCc1cccc(CNC(=O)c2ccc(O)cc2[O-])c1 ZINC000189509695 426872248 /nfs/dbraw/zinc/87/22/48/426872248.db2.gz AKPZSNYRVKCMNY-UHFFFAOYSA-N -1 3 303.383 2.891 20 0 DFADHM CC(C)C(=O)NC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295243669 426876153 /nfs/dbraw/zinc/87/61/53/426876153.db2.gz FEENKZAUPPYGTB-UHFFFAOYSA-N -1 3 310.825 2.782 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000180655158 426876428 /nfs/dbraw/zinc/87/64/28/426876428.db2.gz PKJDNUCUQRWULK-CYBMUJFWSA-N -1 3 323.400 2.781 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000305100162 426876991 /nfs/dbraw/zinc/87/69/91/426876991.db2.gz BAPPMILBLUSITF-GUYCJALGSA-N -1 3 323.820 2.742 20 0 DFADHM O=C(N[C@H]1CC[C@@H](CO)CC1)c1cc([O-])ccc1C(F)(F)F ZINC000189524654 426877705 /nfs/dbraw/zinc/87/77/05/426877705.db2.gz KWEHKHVFNUIAPI-MGCOHNPYSA-N -1 3 317.307 2.692 20 0 DFADHM Cc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000282315208 426877925 /nfs/dbraw/zinc/87/79/25/426877925.db2.gz YIKAARGITHSLEJ-BMFZPTHFSA-N -1 3 303.402 2.856 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)cc1C ZINC000267338740 426877951 /nfs/dbraw/zinc/87/79/51/426877951.db2.gz SNKXWPMUSYOMIY-UHFFFAOYSA-N -1 3 305.403 2.565 20 0 DFADHM O=C(CSc1nnc(C2CC2)s1)Nc1ccccc1[O-] ZINC000180712024 426882110 /nfs/dbraw/zinc/88/21/10/426882110.db2.gz SFEGSXBQJVKZKS-UHFFFAOYSA-N -1 3 307.400 2.852 20 0 DFADHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1cnn[n-]1 ZINC000337619103 426884351 /nfs/dbraw/zinc/88/43/51/426884351.db2.gz PYCCQWPGQDMBEV-UHFFFAOYSA-N -1 3 308.341 2.679 20 0 DFADHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1c[n-]nn1 ZINC000337619103 426884358 /nfs/dbraw/zinc/88/43/58/426884358.db2.gz PYCCQWPGQDMBEV-UHFFFAOYSA-N -1 3 308.341 2.679 20 0 DFADHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1cn[n-]n1 ZINC000337619103 426884364 /nfs/dbraw/zinc/88/43/64/426884364.db2.gz PYCCQWPGQDMBEV-UHFFFAOYSA-N -1 3 308.341 2.679 20 0 DFADHM Cc1ccc(C(=O)NC[C@H](CCO)c2ccccc2)c([O-])c1C ZINC000268032097 426894827 /nfs/dbraw/zinc/89/48/27/426894827.db2.gz OLHUBKVRSRHBCT-INIZCTEOSA-N -1 3 313.397 2.905 20 0 DFADHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000305203535 426894955 /nfs/dbraw/zinc/89/49/55/426894955.db2.gz LZQHNQGDYNYHPT-TVQRCGJNSA-N -1 3 323.817 2.555 20 0 DFADHM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)O1 ZINC000282374490 426895461 /nfs/dbraw/zinc/89/54/61/426895461.db2.gz ZOSBCFQTSVMZLP-JOAULVNJSA-N -1 3 322.315 2.502 20 0 DFADHM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)O1 ZINC000282374490 426895465 /nfs/dbraw/zinc/89/54/65/426895465.db2.gz ZOSBCFQTSVMZLP-JOAULVNJSA-N -1 3 322.315 2.502 20 0 DFADHM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)O1 ZINC000282374490 426895471 /nfs/dbraw/zinc/89/54/71/426895471.db2.gz ZOSBCFQTSVMZLP-JOAULVNJSA-N -1 3 322.315 2.502 20 0 DFADHM CCCNC(=O)CCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337661715 426906484 /nfs/dbraw/zinc/90/64/84/426906484.db2.gz QVZUSHJCPYWKCR-UHFFFAOYSA-N -1 3 306.406 2.935 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCCCC[C@H]2c2ncon2)c1 ZINC000189628709 426906902 /nfs/dbraw/zinc/90/69/02/426906902.db2.gz SAMFSXWLSZKDQM-ZDUSSCGKSA-N -1 3 301.346 2.841 20 0 DFADHM CCc1cc(C(=O)NCCCCCCC(=O)OC)ccc1[O-] ZINC000291535202 426907392 /nfs/dbraw/zinc/90/73/92/426907392.db2.gz UNIIZXNQPLMWSQ-UHFFFAOYSA-N -1 3 307.390 2.808 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2ncon2)c1 ZINC000189628684 426907472 /nfs/dbraw/zinc/90/74/72/426907472.db2.gz SAMFSXWLSZKDQM-CYBMUJFWSA-N -1 3 301.346 2.841 20 0 DFADHM CN(C)[C@H](CNC(=O)c1ccc([O-])cc1F)c1cccc(F)c1 ZINC000181048387 426909369 /nfs/dbraw/zinc/90/93/69/426909369.db2.gz RMIMZGAQBKJZIA-MRXNPFEDSA-N -1 3 320.339 2.703 20 0 DFADHM Cc1cc(NCC2(C(=O)[O-])CCOCC2)c2ccccc2n1 ZINC000317006843 426951411 /nfs/dbraw/zinc/95/14/11/426951411.db2.gz OQEZNFWVGOLARP-UHFFFAOYSA-N -1 3 300.358 2.837 20 0 DFADHM COc1cc(C(=O)NC[C@H](c2cccnc2)C(C)C)ccc1[O-] ZINC000275960560 426956277 /nfs/dbraw/zinc/95/62/77/426956277.db2.gz IBJSUKZGZAXLRV-HNNXBMFYSA-N -1 3 314.385 2.965 20 0 DFADHM C[C@H]1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC[S@@]1=O ZINC000291704098 426958459 /nfs/dbraw/zinc/95/84/59/426958459.db2.gz ZGPJVEMJBXRNQB-CWKPULSASA-N -1 3 321.364 2.754 20 0 DFADHM CCCNC(=O)[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000295446669 426962774 /nfs/dbraw/zinc/96/27/74/426962774.db2.gz UWPBIVMMUSEXAC-CYBMUJFWSA-N -1 3 310.825 2.784 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)ccc1[O-] ZINC000275996093 426963324 /nfs/dbraw/zinc/96/33/24/426963324.db2.gz NXRRLNNPICCDOL-CYBMUJFWSA-N -1 3 305.374 2.622 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000291720019 426964644 /nfs/dbraw/zinc/96/46/44/426964644.db2.gz HGZDNMVSUHDTNZ-NSHDSACASA-N -1 3 305.378 2.678 20 0 DFADHM COC(=O)CCCCCCCNC(=O)c1ccc([O-])c(OC)c1 ZINC000276012635 426965034 /nfs/dbraw/zinc/96/50/34/426965034.db2.gz QMZJUNYMIFSRSS-UHFFFAOYSA-N -1 3 323.389 2.644 20 0 DFADHM COc1cc(C(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)ccc1[O-] ZINC000276039925 426974132 /nfs/dbraw/zinc/97/41/32/426974132.db2.gz VUOLKICASCDMPV-ZDUSSCGKSA-N -1 3 315.373 2.718 20 0 DFADHM CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000328314451 426976677 /nfs/dbraw/zinc/97/66/77/426976677.db2.gz CGQXFCYINUZBSE-UHFFFAOYSA-N -1 3 317.716 2.927 20 0 DFADHM COc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)ccc1[O-] ZINC000276056581 426977162 /nfs/dbraw/zinc/97/71/62/426977162.db2.gz ZAOJIXYUMBTGBD-KBPBESRZSA-N -1 3 317.385 2.765 20 0 DFADHM Cc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000181763505 426980409 /nfs/dbraw/zinc/98/04/09/426980409.db2.gz DJKULZDGIUVZPY-INIZCTEOSA-N -1 3 324.380 2.944 20 0 DFADHM CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000181763181 426980630 /nfs/dbraw/zinc/98/06/30/426980630.db2.gz XDTQYQKFIRVYMV-INIZCTEOSA-N -1 3 324.380 2.660 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N(C)Cc2nc3ccccc3o2)on1 ZINC000268307971 426982179 /nfs/dbraw/zinc/98/21/79/426982179.db2.gz GJSBDKFHPLPVEW-NSHDSACASA-N -1 3 314.345 2.583 20 0 DFADHM CC(C)[C@@H](CNc1nc2nncc-2c(O)[n-]1)Cc1ccccc1 ZINC000276086146 426982788 /nfs/dbraw/zinc/98/27/88/426982788.db2.gz HGIXQRMNBJGZQH-CYBMUJFWSA-N -1 3 311.389 2.985 20 0 DFADHM CCc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)c([O-])c1 ZINC000276079060 426982909 /nfs/dbraw/zinc/98/29/09/426982909.db2.gz HWFRHFKYQRIVLC-UHFFFAOYSA-N -1 3 314.385 2.506 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)O)sc1Cl ZINC000295506599 426984446 /nfs/dbraw/zinc/98/44/46/426984446.db2.gz OHNWIHXPUVCZJP-QMMMGPOBSA-N -1 3 311.856 2.538 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(C)(C)O)sc1Cl ZINC000295506594 426986580 /nfs/dbraw/zinc/98/65/80/426986580.db2.gz OHNWIHXPUVCZJP-MRVPVSSYSA-N -1 3 311.856 2.538 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000181846299 426986865 /nfs/dbraw/zinc/98/68/65/426986865.db2.gz FJNUPSJSCIBRQE-MRXNPFEDSA-N -1 3 301.317 2.745 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000189955556 426988080 /nfs/dbraw/zinc/98/80/80/426988080.db2.gz BLDBFNRHJLKFTJ-UHFFFAOYSA-N -1 3 319.401 2.965 20 0 DFADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000189990688 426991666 /nfs/dbraw/zinc/99/16/66/426991666.db2.gz ZMZGHCQUCXPRGJ-BETUJISGSA-N -1 3 307.390 2.821 20 0 DFADHM CCCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])no1 ZINC000295364568 426926716 /nfs/dbraw/zinc/92/67/16/426926716.db2.gz WGSYFYXQCDYYFY-UHFFFAOYSA-N -1 3 318.329 2.762 20 0 DFADHM Cc1coc(-c2cccc(NC(=O)[N-]OC[C@@H]3CCOC3)c2)n1 ZINC000189725347 426931667 /nfs/dbraw/zinc/93/16/67/426931667.db2.gz DELARUYDYXKUPQ-GFCCVEGCSA-N -1 3 317.345 2.740 20 0 DFADHM O=S(=O)([N-]c1ccsc1Cl)c1ccc2c(c1)OCO2 ZINC000189740761 426938700 /nfs/dbraw/zinc/93/87/00/426938700.db2.gz DAISWKLTROTHHI-UHFFFAOYSA-N -1 3 317.775 2.931 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H](C)c1ccccc1 ZINC000268390593 427006053 /nfs/dbraw/zinc/00/60/53/427006053.db2.gz MEGJBNNNAOOHPJ-LLVKDONJSA-N -1 3 311.428 2.839 20 0 DFADHM O=C(c1ccc(C(=O)N2CCCCO2)cc1)c1cccc([O-])c1 ZINC000190058153 427010219 /nfs/dbraw/zinc/01/02/19/427010219.db2.gz GKGHLZYTERNUOG-UHFFFAOYSA-N -1 3 311.337 2.791 20 0 DFADHM OC[C@@H]([N-]c1nnc(C2CC2)o1)c1ccc(Br)cc1 ZINC000291873922 427012672 /nfs/dbraw/zinc/01/26/72/427012672.db2.gz NSSJQMKAEIMPBW-LLVKDONJSA-N -1 3 324.178 2.855 20 0 DFADHM CC(C)[C@H](CNC(=O)/C=C/c1cncc([O-])c1)c1cccnc1 ZINC000182087799 427012808 /nfs/dbraw/zinc/01/28/08/427012808.db2.gz ABEYMTFTHIGYFH-RTRPANQVSA-N -1 3 311.385 2.751 20 0 DFADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(C)(C)C ZINC000337958717 427062079 /nfs/dbraw/zinc/06/20/79/427062079.db2.gz KTVDODSVPUVVGE-CQSZACIVSA-N -1 3 317.426 2.864 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@@H](OCc3ccccn3)C2)c([O-])c1 ZINC000268465881 427026578 /nfs/dbraw/zinc/02/65/78/427026578.db2.gz ASUPSJGRQPIQPX-OAHLLOKOSA-N -1 3 312.369 2.527 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccncc2F)c(F)c1 ZINC000337960591 427062229 /nfs/dbraw/zinc/06/22/29/427062229.db2.gz DJQNLMFATYUQSQ-JTQLQIEISA-N -1 3 312.341 2.708 20 0 DFADHM COCc1nc(SCC(=O)Nc2c(C)cc(C)cc2C)n[n-]1 ZINC000268508430 427037280 /nfs/dbraw/zinc/03/72/80/427037280.db2.gz VUWKOWBEMGRLHZ-UHFFFAOYSA-N -1 3 320.418 2.607 20 0 DFADHM COCc1nc(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)n[n-]1 ZINC000268504990 427039139 /nfs/dbraw/zinc/03/91/39/427039139.db2.gz UFNCNOHFNJQCBE-VIFPVBQESA-N -1 3 324.381 2.518 20 0 DFADHM Cc1c(CNC(=O)c2c[n-]nn2)sc2ccc(Cl)cc12 ZINC000337921329 427040001 /nfs/dbraw/zinc/04/00/01/427040001.db2.gz ZMCSQOGIQFXNNZ-UHFFFAOYSA-N -1 3 306.778 2.911 20 0 DFADHM Cc1c(CNC(=O)c2cnn[n-]2)sc2ccc(Cl)cc12 ZINC000337921329 427040005 /nfs/dbraw/zinc/04/00/05/427040005.db2.gz ZMCSQOGIQFXNNZ-UHFFFAOYSA-N -1 3 306.778 2.911 20 0 DFADHM Cc1c(CNC(=O)c2cn[n-]n2)sc2ccc(Cl)cc12 ZINC000337921329 427040008 /nfs/dbraw/zinc/04/00/08/427040008.db2.gz ZMCSQOGIQFXNNZ-UHFFFAOYSA-N -1 3 306.778 2.911 20 0 DFADHM Cc1ccn(C)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000190202418 427044289 /nfs/dbraw/zinc/04/42/89/427044289.db2.gz ZXKOQWWSAWMWCH-UHFFFAOYSA-N -1 3 323.190 2.732 20 0 DFADHM COc1ccc(C(=O)N[C@H]2CCCc3c(O)cccc32)c([O-])c1 ZINC000190299712 427068499 /nfs/dbraw/zinc/06/84/99/427068499.db2.gz HBEHBXUVMMGEGM-HNNXBMFYSA-N -1 3 313.353 2.914 20 0 DFADHM CC(C)C[C@@H](CCO)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268627698 427072184 /nfs/dbraw/zinc/07/21/84/427072184.db2.gz LLNBTMPVIRGIBZ-CYBMUJFWSA-N -1 3 316.401 2.715 20 0 DFADHM CC(C)C[C@H](CCO)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268627699 427072354 /nfs/dbraw/zinc/07/23/54/427072354.db2.gz LLNBTMPVIRGIBZ-ZDUSSCGKSA-N -1 3 316.401 2.715 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccncc1F ZINC000337989012 427076561 /nfs/dbraw/zinc/07/65/61/427076561.db2.gz ZZYYOILUXJMDAA-QMMMGPOBSA-N -1 3 316.304 2.538 20 0 DFADHM CCC(O)(CC)CCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000276493307 427081018 /nfs/dbraw/zinc/08/10/18/427081018.db2.gz SRWXBAATHHBHGR-UHFFFAOYSA-N -1 3 302.374 2.611 20 0 DFADHM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1cccc([O-])c1 ZINC000182458352 427081932 /nfs/dbraw/zinc/08/19/32/427081932.db2.gz OIQUPIODKIVRKG-HNNXBMFYSA-N -1 3 314.360 2.930 20 0 DFADHM CCc1cc(C(=O)N[C@@H](C)CC(=O)c2ccco2)ccc1[O-] ZINC000292199627 427129084 /nfs/dbraw/zinc/12/90/84/427129084.db2.gz PFUKOTHQKDUASO-NSHDSACASA-N -1 3 301.342 2.939 20 0 DFADHM CCc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)ccc1[O-] ZINC000292099139 427088927 /nfs/dbraw/zinc/08/89/27/427088927.db2.gz JEQQNTWHDXZZQI-UHFFFAOYSA-N -1 3 324.380 2.835 20 0 DFADHM 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WFBXDJQOUWYBEB-MRXNPFEDSA-N -1 3 313.397 2.630 20 0 DFADHM O=C(C[N-]C(=O)C(F)(F)c1cccc(Cl)c1)OCC1CC1 ZINC000263804335 427576137 /nfs/dbraw/zinc/57/61/37/427576137.db2.gz MMNJRCHOVKAULU-UHFFFAOYSA-N -1 3 317.719 2.501 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](c3ccsc3)C2)n1 ZINC000192620837 427577500 /nfs/dbraw/zinc/57/75/00/427577500.db2.gz PIPNAQSTXMAWBV-YPMHNXCESA-N -1 3 305.403 2.687 20 0 DFADHM CO[C@]1(C)C[C@@H](NCc2nc(=O)c3sccc3[n-]2)C1(C)C ZINC000298358029 427582329 /nfs/dbraw/zinc/58/23/29/427582329.db2.gz MVBBCSNCMGSSGD-MEBBXXQBSA-N -1 3 307.419 2.690 20 0 DFADHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000185035226 427584530 /nfs/dbraw/zinc/58/45/30/427584530.db2.gz BWLNMQGXZYUEDE-UHFFFAOYSA-N -1 3 323.817 2.820 20 0 DFADHM CCOc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1CO ZINC000263860182 427594673 /nfs/dbraw/zinc/59/46/73/427594673.db2.gz SDXQWIPBGFEUCX-UHFFFAOYSA-N -1 3 321.398 2.687 20 0 DFADHM Cc1cccc(OC[C@H](O)CNCc2c(F)ccc([O-])c2F)c1 ZINC000294325622 427623641 /nfs/dbraw/zinc/62/36/41/427623641.db2.gz RFUCAYPSEPYFDU-GFCCVEGCSA-N -1 3 323.339 2.508 20 0 DFADHM O=c1[n-]nc([C@@H]2CCCN(CCc3ccccc3Cl)C2)o1 ZINC000332400929 427601934 /nfs/dbraw/zinc/60/19/34/427601934.db2.gz KCAMBBBUISOLFO-GFCCVEGCSA-N -1 3 307.781 2.851 20 0 DFADHM COCCCO[N-]C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000287407866 427602382 /nfs/dbraw/zinc/60/23/82/427602382.db2.gz WZZZDZOHQXEXLB-UHFFFAOYSA-N -1 3 317.345 2.964 20 0 DFADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1F)c1cnc2ccsc2c1 ZINC000332634823 427623860 /nfs/dbraw/zinc/62/38/60/427623860.db2.gz FBJCLGOFEJRHMY-GHMZBOCLSA-N -1 3 314.407 2.855 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H]1COc2ccccc21 ZINC000342110000 271945294 /nfs/dbraw/zinc/94/52/94/271945294.db2.gz VXUJBAZIRSGXPA-LBPRGKRZSA-N -1 3 316.332 2.507 20 0 DFADHM CC(C)CCCC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000294275681 427608309 /nfs/dbraw/zinc/60/83/09/427608309.db2.gz AQRLKWWJHGOIFV-KRWDZBQOSA-N -1 3 317.389 2.506 20 0 DFADHM NC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCC1 ZINC000332427680 427610555 /nfs/dbraw/zinc/61/05/55/427610555.db2.gz FYCIGWOKBBDPHL-UHFFFAOYSA-N -1 3 320.773 2.605 20 0 DFADHM CN(Cc1cnn(C)c1)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294327500 427625688 /nfs/dbraw/zinc/62/56/88/427625688.db2.gz KLQFTAQWQTYQNM-UHFFFAOYSA-N -1 3 323.396 2.870 20 0 DFADHM Cc1cc2cccnc2c([N-]S(=O)(=O)N2CCC[C@@H]2C)c1 ZINC000185286032 427626096 /nfs/dbraw/zinc/62/60/96/427626096.db2.gz GHRCYBMCECQWES-LBPRGKRZSA-N -1 3 305.403 2.684 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCCO2)c(F)cc1F ZINC000272087737 427627149 /nfs/dbraw/zinc/62/71/49/427627149.db2.gz ULUOCLXKXCQHEM-GXFFZTMASA-N -1 3 319.373 2.509 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H]2CCCCO2)c(F)cc1F ZINC000272087740 427627455 /nfs/dbraw/zinc/62/74/55/427627455.db2.gz ULUOCLXKXCQHEM-ZWNOBZJWSA-N -1 3 319.373 2.509 20 0 DFADHM O=C(N[C@H]1CCC[C@@H](CO)C1)c1cc([O-])ccc1C(F)(F)F ZINC000298510195 427634216 /nfs/dbraw/zinc/63/42/16/427634216.db2.gz VWQYLXUYUXXTPX-ZJUUUORDSA-N -1 3 317.307 2.692 20 0 DFADHM CCc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c([O-])c1 ZINC000294355818 427634968 /nfs/dbraw/zinc/63/49/68/427634968.db2.gz VPZXFCFDMXIEJA-KRWDZBQOSA-N -1 3 315.413 2.986 20 0 DFADHM C[C@@H](F)CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000339032455 427638509 /nfs/dbraw/zinc/63/85/09/427638509.db2.gz BYOGYRADKKMFGJ-SNVBAGLBSA-N -1 3 314.407 2.837 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1[O-] ZINC000264033430 427641905 /nfs/dbraw/zinc/64/19/05/427641905.db2.gz MHEFSBHPVHJDEO-LBPRGKRZSA-N -1 3 324.380 2.711 20 0 DFADHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000339042236 427642421 /nfs/dbraw/zinc/64/24/21/427642421.db2.gz RYBKXDVSGQPGFF-GXFFZTMASA-N -1 3 302.827 2.982 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2C)s1 ZINC000339042097 427643379 /nfs/dbraw/zinc/64/33/79/427643379.db2.gz ZQWJMKREWSDCJA-YMTOWFKASA-N -1 3 308.428 2.663 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2C)s1 ZINC000339042094 427643896 /nfs/dbraw/zinc/64/38/96/427643896.db2.gz ZQWJMKREWSDCJA-LKFCYVNXSA-N -1 3 308.428 2.663 20 0 DFADHM C[C@H]1CCCN(Cc2cccc3c2OCCCO3)[C@@H]1C(=O)[O-] ZINC000333542452 427645922 /nfs/dbraw/zinc/64/59/22/427645922.db2.gz ICVRGZZMABWCQX-WFASDCNBSA-N -1 3 305.374 2.533 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)s1 ZINC000339045292 427646068 /nfs/dbraw/zinc/64/60/68/427646068.db2.gz SRDRXJAOZWHZBJ-CQSZACIVSA-N -1 3 308.428 2.881 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@@]2(C)CCCc3ccccc32)s1 ZINC000339045100 427646579 /nfs/dbraw/zinc/64/65/79/427646579.db2.gz UNOZWFOJEXSIAQ-HNNXBMFYSA-N -1 3 322.455 2.982 20 0 DFADHM O=S(=O)([N-][C@@H]1CCc2ccccc2C1)c1cncc(Cl)c1 ZINC000339049719 427648168 /nfs/dbraw/zinc/64/81/68/427648168.db2.gz RXWSMGLNSISOGX-CQSZACIVSA-N -1 3 322.817 2.571 20 0 DFADHM O=S(=O)([N-]CCCC1CCCC1)c1cncc(Cl)c1 ZINC000339049354 427648263 /nfs/dbraw/zinc/64/82/63/427648263.db2.gz QCYHYVCDCYJFQQ-UHFFFAOYSA-N -1 3 302.827 2.984 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2)s1 ZINC000339049010 427649165 /nfs/dbraw/zinc/64/91/65/427649165.db2.gz NZTZUHKJZFDKLO-QWRGUYRKSA-N -1 3 310.444 2.922 20 0 DFADHM CO[C@@H](C[N-]C(=O)C(F)(F)c1c(F)cccc1F)C1CC1 ZINC000294760081 427654700 /nfs/dbraw/zinc/65/47/00/427654700.db2.gz YYXYTAKZLCYZBG-NSHDSACASA-N -1 3 305.271 2.598 20 0 DFADHM COCc1cccc(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000339062069 427656445 /nfs/dbraw/zinc/65/64/45/427656445.db2.gz VLVMCGOJGRCUBU-UHFFFAOYSA-N -1 3 308.341 2.870 20 0 DFADHM COCc1cccc(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000339062069 427656450 /nfs/dbraw/zinc/65/64/50/427656450.db2.gz VLVMCGOJGRCUBU-UHFFFAOYSA-N -1 3 308.341 2.870 20 0 DFADHM C[C@@H](NC(=O)c1cccc([O-])c1)[C@@H]1OCCc2sccc21 ZINC000294763594 427656878 /nfs/dbraw/zinc/65/68/78/427656878.db2.gz XLDHXFJMAXEGEG-BMIGLBTASA-N -1 3 303.383 2.886 20 0 DFADHM Cc1nc([C@@H]2CCCO2)sc1C(=O)Nc1ncccc1[O-] ZINC000342563880 272025358 /nfs/dbraw/zinc/02/53/58/272025358.db2.gz AHIMQUIEVMIJDA-JTQLQIEISA-N -1 3 305.359 2.656 20 0 DFADHM COc1ccc(O)c(S(=O)(=O)[N-]c2cc(C)ccc2F)c1 ZINC000342632349 272033553 /nfs/dbraw/zinc/03/35/53/272033553.db2.gz HHUJFYHTUXJNDN-UHFFFAOYSA-N -1 3 311.334 2.649 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000193118418 427668828 /nfs/dbraw/zinc/66/88/28/427668828.db2.gz WHMSIOOMNUQCAK-SSDOTTSWSA-N -1 3 315.288 2.621 20 0 DFADHM O=c1[n-]cnc2c1CN(c1ccnc3c(Cl)cccc13)CC2 ZINC000342776116 272052509 /nfs/dbraw/zinc/05/25/09/272052509.db2.gz GHQSKULXCDHSEL-UHFFFAOYSA-N -1 3 312.760 2.947 20 0 DFADHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000193095940 427666941 /nfs/dbraw/zinc/66/69/41/427666941.db2.gz UAFINYPGOSVBLG-JTQLQIEISA-N -1 3 322.883 2.554 20 0 DFADHM CN(CCC1CC1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000343275986 272110383 /nfs/dbraw/zinc/11/03/83/272110383.db2.gz OSVSGSSFILPCFA-UHFFFAOYSA-N -1 3 312.207 2.956 20 0 DFADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C)c(Br)c1 ZINC000193115583 427667851 /nfs/dbraw/zinc/66/78/51/427667851.db2.gz IDPGTCJKNHLIOI-VIFPVBQESA-N -1 3 322.224 2.534 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)CCCCCO)c[n-]c12 ZINC000279452280 427676725 /nfs/dbraw/zinc/67/67/25/427676725.db2.gz CKBFNDGXUUXUPR-UHFFFAOYSA-N -1 3 320.364 2.623 20 0 DFADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)Cc1ccccc1 ZINC000343329657 272119750 /nfs/dbraw/zinc/11/97/50/272119750.db2.gz CINONVHYMRUSEA-LLVKDONJSA-N -1 3 317.772 2.976 20 0 DFADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2cccnc2)CC1 ZINC000193144768 427672417 /nfs/dbraw/zinc/67/24/17/427672417.db2.gz GQPDDFRSKBPQEC-UHFFFAOYSA-N -1 3 311.385 2.638 20 0 DFADHM CS[C@@H](C)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000343478994 272156220 /nfs/dbraw/zinc/15/62/20/272156220.db2.gz IWIVDTCHISWPDX-QMMMGPOBSA-N -1 3 318.236 2.565 20 0 DFADHM COc1cc(C(=O)N2CCC=C(c3ccncc3)C2)ccc1[O-] ZINC000343562912 272171394 /nfs/dbraw/zinc/17/13/94/272171394.db2.gz KMOWBKACPZRLLF-UHFFFAOYSA-N -1 3 310.353 2.725 20 0 DFADHM Cn1c(=O)oc2c1cccc2NC(=O)c1cc([O-])ccc1Cl ZINC000343579597 272175140 /nfs/dbraw/zinc/17/51/40/272175140.db2.gz LZCSUHBASXXSAH-UHFFFAOYSA-N -1 3 318.716 2.743 20 0 DFADHM CCN(C(=O)c1cc(C)nc(=O)[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000343651289 272194068 /nfs/dbraw/zinc/19/40/68/272194068.db2.gz QOVBJIDCNOULTN-LLVKDONJSA-N -1 3 303.337 2.853 20 0 DFADHM CC(C)COCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000343698040 272203561 /nfs/dbraw/zinc/20/35/61/272203561.db2.gz OCRBEMSFLMJYTJ-UHFFFAOYSA-N -1 3 323.817 2.820 20 0 DFADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000343705883 272204814 /nfs/dbraw/zinc/20/48/14/272204814.db2.gz YJJWXOSHTODOEE-YUMQZZPRSA-N -1 3 311.300 2.779 20 0 DFADHM NC(=O)[C@@H](Cc1ccc(Cl)cc1)[N-]c1nc2ccccc2o1 ZINC000343808045 272223922 /nfs/dbraw/zinc/22/39/22/272223922.db2.gz LYNYVOQFPODGAL-CYBMUJFWSA-N -1 3 315.760 2.990 20 0 DFADHM COC(=O)c1ccc(CNCc2cc([O-])cc(F)c2)cc1OC ZINC000185607496 427681459 /nfs/dbraw/zinc/68/14/59/427681459.db2.gz UJYJUXKNCSBDGJ-UHFFFAOYSA-N -1 3 319.332 2.616 20 0 DFADHM COc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)c(F)c1 ZINC000344088964 272261249 /nfs/dbraw/zinc/26/12/49/272261249.db2.gz KZVSNALAMIMARA-UHFFFAOYSA-N -1 3 322.311 2.678 20 0 DFADHM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000344124548 272269097 /nfs/dbraw/zinc/26/90/97/272269097.db2.gz XEFFVNVLSQGSCB-QPUJVOFHSA-N -1 3 324.229 2.839 20 0 DFADHM CC(C)c1cc(C(=O)[N-]c2ccnc(-c3cncs3)n2)on1 ZINC000344138325 272271903 /nfs/dbraw/zinc/27/19/03/272271903.db2.gz ITWJRDOEVIZAKN-UHFFFAOYSA-N -1 3 315.358 2.964 20 0 DFADHM CC[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000193227376 427677887 /nfs/dbraw/zinc/67/78/87/427677887.db2.gz VHTBJLDIEFLQIQ-LBPRGKRZSA-N -1 3 304.390 2.615 20 0 DFADHM COCCCO[N-]C(=O)/C=C/Sc1cc(F)ccc1F ZINC000287736599 427682476 /nfs/dbraw/zinc/68/24/76/427682476.db2.gz HPKDHZGXWMFMHN-VMPITWQZSA-N -1 3 303.330 2.655 20 0 DFADHM COc1cc(C)nc(Sc2nnc(-c3ccccc3F)[n-]2)n1 ZINC000344419377 272328301 /nfs/dbraw/zinc/32/83/01/272328301.db2.gz MZAGUIMHLLBLBF-UHFFFAOYSA-N -1 3 317.349 2.869 20 0 DFADHM COc1cc(C)nc(Sc2nc(-c3ccccc3F)n[n-]2)n1 ZINC000344419377 272328304 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428618702 /nfs/dbraw/zinc/61/87/02/428618702.db2.gz FCJSUMAQGHMHQC-UHFFFAOYSA-N -1 3 316.258 2.842 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2sccc2C)c1 ZINC000358684730 428626209 /nfs/dbraw/zinc/62/62/09/428626209.db2.gz QBBUEXTUXYFKLG-UHFFFAOYSA-N -1 3 318.398 2.693 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2ccc(-c3cnccn3)cn2)c1 ZINC000373645332 428626908 /nfs/dbraw/zinc/62/69/08/428626908.db2.gz RQLRAKXBEHRVLL-UHFFFAOYSA-N -1 3 306.325 2.805 20 0 DFADHM Cc1ccsc1CCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000358715772 428638831 /nfs/dbraw/zinc/63/88/31/428638831.db2.gz PSFQVEITEICDTG-UHFFFAOYSA-N -1 3 312.394 2.871 20 0 DFADHM CCc1ccc(C(=O)N2CCC([C@@H]3CCOC3)CC2)c([O-])c1 ZINC000373725199 428640777 /nfs/dbraw/zinc/64/07/77/428640777.db2.gz FRAWKPHTTSZGGQ-OAHLLOKOSA-N -1 3 303.402 2.843 20 0 DFADHM O=C(Cc1ccc(Cl)c(F)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000344400816 428635513 /nfs/dbraw/zinc/63/55/13/428635513.db2.gz KJMRSHNQTAZICY-UHFFFAOYSA-N -1 3 322.649 2.797 20 0 DFADHM O=C(Cc1ccc(Cl)c(F)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000344400816 428635518 /nfs/dbraw/zinc/63/55/18/428635518.db2.gz KJMRSHNQTAZICY-UHFFFAOYSA-N -1 3 322.649 2.797 20 0 DFADHM CCc1cnccc1[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000358732753 428647677 /nfs/dbraw/zinc/64/76/77/428647677.db2.gz QMQJPCOJNHSBMY-LBPRGKRZSA-N -1 3 321.380 2.977 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c([O-])c1 ZINC000408410062 428654719 /nfs/dbraw/zinc/65/47/19/428654719.db2.gz IRVWSWAYSWGPHI-RDTXWAMCSA-N -1 3 319.401 2.584 20 0 DFADHM CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000408414173 428656314 /nfs/dbraw/zinc/65/63/14/428656314.db2.gz JOFULOPTUIZUFG-WBVHZDCISA-N -1 3 317.429 2.894 20 0 DFADHM Cc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)n(C)n1 ZINC000362238088 428672476 /nfs/dbraw/zinc/67/24/76/428672476.db2.gz QXLNIDZVCNFOIT-UHFFFAOYSA-N -1 3 322.328 2.512 20 0 DFADHM Cc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)n(C)n1 ZINC000362238088 428672481 /nfs/dbraw/zinc/67/24/81/428672481.db2.gz QXLNIDZVCNFOIT-UHFFFAOYSA-N -1 3 322.328 2.512 20 0 DFADHM O=S(=O)([N-][C@H]1CSc2ccccc21)c1ccccc1F ZINC000344520151 428672491 /nfs/dbraw/zinc/67/24/91/428672491.db2.gz VTBJZUJYVQRNPX-LBPRGKRZSA-N -1 3 309.387 2.951 20 0 DFADHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)n(C)n1 ZINC000362238088 428672487 /nfs/dbraw/zinc/67/24/87/428672487.db2.gz QXLNIDZVCNFOIT-UHFFFAOYSA-N -1 3 322.328 2.512 20 0 DFADHM O=C(Nc1cc(-c2cccnc2)[nH]n1)c1cc([O-])ccc1Cl ZINC000353771298 428706225 /nfs/dbraw/zinc/70/62/25/428706225.db2.gz JECOTGDVJIPKJI-UHFFFAOYSA-N -1 3 314.732 3.083 20 0 DFADHM CC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])[C@H]1CC1(C)C ZINC000416273229 428706562 /nfs/dbraw/zinc/70/65/62/428706562.db2.gz FMJOZMSOSMYBGX-KGLIPLIRSA-N -1 3 304.390 2.905 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)C(C)(C)C(F)F)[n-]c21 ZINC000348326116 428707151 /nfs/dbraw/zinc/70/71/51/428707151.db2.gz NHMIXYVKXFDZFS-UHFFFAOYSA-N -1 3 311.288 2.579 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)C(F)F)nc21 ZINC000348326116 428707155 /nfs/dbraw/zinc/70/71/55/428707155.db2.gz NHMIXYVKXFDZFS-UHFFFAOYSA-N -1 3 311.288 2.579 20 0 DFADHM C[C@@H](CC(=O)[O-])NCc1ccccc1OCc1ccccn1 ZINC000362346912 428712182 /nfs/dbraw/zinc/71/21/82/428712182.db2.gz PKVIQUMUYQGDSJ-ZDUSSCGKSA-N -1 3 300.358 2.613 20 0 DFADHM Cc1onc(C2CC2)c1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000410871483 428719200 /nfs/dbraw/zinc/71/92/00/428719200.db2.gz HXPZCRFYZRSOPP-UHFFFAOYSA-N -1 3 317.736 2.809 20 0 DFADHM Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000344915656 428722296 /nfs/dbraw/zinc/72/22/96/428722296.db2.gz ZELJMEONIOGORN-BZNIZROVSA-N -1 3 303.333 2.943 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000344966070 428729950 /nfs/dbraw/zinc/72/99/50/428729950.db2.gz IPOFPGWDJFRZHM-UHFFFAOYSA-N -1 3 311.300 2.753 20 0 DFADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cccs1 ZINC000353819659 428732695 /nfs/dbraw/zinc/73/26/95/428732695.db2.gz XKZZYRCPDJPHNH-UHFFFAOYSA-N -1 3 323.395 2.981 20 0 DFADHM Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)ccc1[O-] ZINC000348251404 428679275 /nfs/dbraw/zinc/67/92/75/428679275.db2.gz YPBFLTIHUSZOAK-CVEARBPZSA-N -1 3 315.344 2.788 20 0 DFADHM COC(=O)CCS(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC000353748906 428691367 /nfs/dbraw/zinc/69/13/67/428691367.db2.gz SXNDGEFRMDMGHY-UHFFFAOYSA-N -1 3 319.382 2.658 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@H](C(F)(F)F)[C@H]2C)on1 ZINC000348281981 428692038 /nfs/dbraw/zinc/69/20/38/428692038.db2.gz NVBQNIDSNMAYSP-UTLUCORTSA-N -1 3 305.300 2.583 20 0 DFADHM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([O-])c1 ZINC000374790616 428753817 /nfs/dbraw/zinc/75/38/17/428753817.db2.gz DDEDRPXWOBQKKG-GOOCMWNKSA-N -1 3 311.385 2.677 20 0 DFADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1F)C1CC1 ZINC000416577817 428754288 /nfs/dbraw/zinc/75/42/88/428754288.db2.gz AKHCHNIMBGLWQN-IAQYHMDHSA-N -1 3 315.410 2.616 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CS[C@@H](C)C2)sc1Cl ZINC000416590218 428756717 /nfs/dbraw/zinc/75/67/17/428756717.db2.gz NBGHEUCETRBILT-YUMQZZPRSA-N -1 3 311.881 2.882 20 0 DFADHM Cc1ccsc1S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F ZINC000416602449 428758654 /nfs/dbraw/zinc/75/86/54/428758654.db2.gz JWZZJIYWMVSZFU-SSDOTTSWSA-N -1 3 301.355 2.923 20 0 DFADHM Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)o2)ccc1[O-] ZINC000353882990 428760898 /nfs/dbraw/zinc/76/08/98/428760898.db2.gz TVEQQUMSTCLJCA-UHFFFAOYSA-N -1 3 323.352 2.723 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3scc(C)c3C2)on1 ZINC000374842128 428763798 /nfs/dbraw/zinc/76/37/98/428763798.db2.gz GXVSHXCMKPCJON-NSHDSACASA-N -1 3 305.403 2.738 20 0 DFADHM COc1cccc(C(=O)N2CCC([C@@H]3CCCOC3)CC2)c1[O-] ZINC000374853657 428764634 /nfs/dbraw/zinc/76/46/34/428764634.db2.gz KYBZQUYQLSCPPD-CQSZACIVSA-N -1 3 319.401 2.680 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1sccc1OC)[C@@H]1CC1(C)C ZINC000416643309 428765290 /nfs/dbraw/zinc/76/52/90/428765290.db2.gz GOHOQFPJTOSYTP-UWVGGRQHSA-N -1 3 303.449 2.860 20 0 DFADHM O=C(CC1(C(F)(F)F)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000362489033 428765567 /nfs/dbraw/zinc/76/55/67/428765567.db2.gz NAGPGGDKPURYQU-UHFFFAOYSA-N -1 3 311.267 2.538 20 0 DFADHM O=C(CC1(C(F)(F)F)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000362489033 428765572 /nfs/dbraw/zinc/76/55/72/428765572.db2.gz NAGPGGDKPURYQU-UHFFFAOYSA-N -1 3 311.267 2.538 20 0 DFADHM C[C@H]1CCN(C(=O)c2cc(CN(C)C)on2)c2c([O-])cccc21 ZINC000345133353 428765852 /nfs/dbraw/zinc/76/58/52/428765852.db2.gz FFNMGNTVXWVDKX-NSHDSACASA-N -1 3 315.373 2.596 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCN[C@@H](c2ccccc2Cl)C1 ZINC000374869078 428767465 /nfs/dbraw/zinc/76/74/65/428767465.db2.gz PIRMEGUGHYKWGU-MRXNPFEDSA-N -1 3 316.788 2.832 20 0 DFADHM CCOc1ccc(F)c([N-]C(=O)c2cn(C(C)(C)C)nn2)c1F ZINC000362492891 428768246 /nfs/dbraw/zinc/76/82/46/428768246.db2.gz QEOMRUZPFGNXAO-UHFFFAOYSA-N -1 3 324.331 2.962 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)C1CCCCC1)c1nc(C(C)(C)C)no1 ZINC000353924677 428779891 /nfs/dbraw/zinc/77/98/91/428779891.db2.gz JVYBCUSYGPAGBX-SNVBAGLBSA-N -1 3 315.439 2.680 20 0 DFADHM CC(=O)NCc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000353925167 428780085 /nfs/dbraw/zinc/78/00/85/428780085.db2.gz KWSYSKQTQLZOMQ-UHFFFAOYSA-N -1 3 324.340 2.558 20 0 DFADHM CC(=O)NCc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000353925167 428780091 /nfs/dbraw/zinc/78/00/91/428780091.db2.gz KWSYSKQTQLZOMQ-UHFFFAOYSA-N -1 3 324.340 2.558 20 0 DFADHM Cc1cc(C(=O)N(C)[C@H]2CCO[C@@H]2c2cccnc2)ccc1[O-] ZINC000348560359 428788823 /nfs/dbraw/zinc/78/88/23/428788823.db2.gz HMYRYMLFXSYRCH-DOTOQJQBSA-N -1 3 312.369 2.698 20 0 DFADHM C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1c(F)cccc1F ZINC000353835205 428740043 /nfs/dbraw/zinc/74/00/43/428740043.db2.gz LGGJDADYAPONBI-MRVPVSSYSA-N -1 3 302.284 2.727 20 0 DFADHM Cc1ncc(CNC(=O)CCCc2c[nH]c3ccccc23)c(=O)[n-]1 ZINC000345088263 428746216 /nfs/dbraw/zinc/74/62/16/428746216.db2.gz DHTWANJAJLGTBA-UHFFFAOYSA-N -1 3 324.384 2.611 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)O2)sc1Cl ZINC000416534679 428747109 /nfs/dbraw/zinc/74/71/09/428747109.db2.gz 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ZINC000348673488 428810848 /nfs/dbraw/zinc/81/08/48/428810848.db2.gz LBSVHSLQUMLUKD-SECBINFHSA-N -1 3 309.247 2.612 20 0 DFADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc2cccnc21 ZINC000348673489 428811449 /nfs/dbraw/zinc/81/14/49/428811449.db2.gz LBSVHSLQUMLUKD-VIFPVBQESA-N -1 3 309.247 2.612 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N(CCO)CC1CCCCC1 ZINC000362952911 428821841 /nfs/dbraw/zinc/82/18/41/428821841.db2.gz WBNAJFBXKPIGKR-UHFFFAOYSA-N -1 3 324.396 2.616 20 0 DFADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000345309463 428839508 /nfs/dbraw/zinc/83/95/08/428839508.db2.gz HLGGURXPCVFEAW-NXEZZACHSA-N -1 3 314.382 2.572 20 0 DFADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000345309464 428839915 /nfs/dbraw/zinc/83/99/15/428839915.db2.gz HLGGURXPCVFEAW-UWVGGRQHSA-N -1 3 314.382 2.572 20 0 DFADHM Cc1ccc2cccc([N-]S(=O)(=O)N3CCC[C@H](C)C3)c2n1 ZINC000359149503 428841263 /nfs/dbraw/zinc/84/12/63/428841263.db2.gz ZAISZERHODBYBI-LBPRGKRZSA-N -1 3 319.430 2.932 20 0 DFADHM Cc1cccc(C)c1OC1CCN(Cc2n[n-]c(=O)s2)CC1 ZINC000375325909 428855679 /nfs/dbraw/zinc/85/56/79/428855679.db2.gz IEHUAKGOGUREGP-UHFFFAOYSA-N -1 3 319.430 2.904 20 0 DFADHM CCn1cc(C(=O)Nc2nnc(SC)[n-]2)c2ccccc21 ZINC000348862145 428863626 /nfs/dbraw/zinc/86/36/26/428863626.db2.gz ZLHRINHFPYTZKQ-UHFFFAOYSA-N -1 3 301.375 2.754 20 0 DFADHM CCn1cc(C(=O)Nc2nc(SC)n[n-]2)c2ccccc21 ZINC000348862145 428863632 /nfs/dbraw/zinc/86/36/32/428863632.db2.gz ZLHRINHFPYTZKQ-UHFFFAOYSA-N -1 3 301.375 2.754 20 0 DFADHM CCn1cc(C(=O)Nc2n[n-]c(SC)n2)c2ccccc21 ZINC000348862145 428863644 /nfs/dbraw/zinc/86/36/44/428863644.db2.gz ZLHRINHFPYTZKQ-UHFFFAOYSA-N -1 3 301.375 2.754 20 0 DFADHM C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000375544506 428910905 /nfs/dbraw/zinc/91/09/05/428910905.db2.gz WEKOYRRIDIBRMD-VXGBXAGGSA-N -1 3 315.348 2.637 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)s1 ZINC000359211374 428867214 /nfs/dbraw/zinc/86/72/14/428867214.db2.gz GYVQTTSMLNAYON-IJLUTSLNSA-N -1 3 314.476 2.953 20 0 DFADHM CCc1cccc2c(CCNC(=O)c3csc(=O)[n-]3)c[nH]c21 ZINC000348902939 428872155 /nfs/dbraw/zinc/87/21/55/428872155.db2.gz VWGDLMVGTXSQKE-UHFFFAOYSA-N -1 3 315.398 2.865 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-]C/C=C\c2ccccc2)s1 ZINC000359220761 428872298 /nfs/dbraw/zinc/87/22/98/428872298.db2.gz UVWDVDLYLWIMKC-TWGQIWQCSA-N -1 3 308.428 2.697 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)CCc2ccco2)s1 ZINC000359246897 428885246 /nfs/dbraw/zinc/88/52/46/428885246.db2.gz VUCVCMGXDBPRRU-SNVBAGLBSA-N -1 3 314.432 2.598 20 0 DFADHM CCC1(c2noc(-c3cc(=O)[n-]c(N(C)C)n3)n2)CCCC1 ZINC000354148868 428887248 /nfs/dbraw/zinc/88/72/48/428887248.db2.gz CJGMHJADGRGBLL-UHFFFAOYSA-N -1 3 303.366 2.520 20 0 DFADHM Cc1ccc(-c2cccnc2)cc1NC([O-])=NOCC(C)(C)O ZINC000375449054 428887807 /nfs/dbraw/zinc/88/78/07/428887807.db2.gz ONIKOQDPDKZFTQ-UHFFFAOYSA-N -1 3 315.373 2.881 20 0 DFADHM Cc1ccc(-c2cccnc2)cc1NC(=O)[N-]OCC(C)(C)O ZINC000375449054 428887813 /nfs/dbraw/zinc/88/78/13/428887813.db2.gz 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/nfs/dbraw/zinc/92/07/28/428920728.db2.gz YLCRFNWVTJKZPU-UHFFFAOYSA-N -1 3 315.421 2.794 20 0 DFADHM COc1ccc(NC(=O)Cc2c(C)nn(C(C)C)c2C)c([O-])c1 ZINC000349210142 428939566 /nfs/dbraw/zinc/93/95/66/428939566.db2.gz SCJDFBCXMQQNGO-UHFFFAOYSA-N -1 3 317.389 2.976 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCCCC[C@@H]1C)c2=O ZINC000412114313 428957589 /nfs/dbraw/zinc/95/75/89/428957589.db2.gz RYUGONRFTRLGHX-LBPRGKRZSA-N -1 3 314.385 2.941 20 0 DFADHM CCCOc1ccc(CNC(=O)NCc2ncccc2[O-])cc1 ZINC000349321063 428960569 /nfs/dbraw/zinc/96/05/69/428960569.db2.gz JCIGWWFNBGRWDD-UHFFFAOYSA-N -1 3 315.373 2.575 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC000354318856 428965143 /nfs/dbraw/zinc/96/51/43/428965143.db2.gz MFLMCGRQXIFMFI-OAHLLOKOSA-N -1 3 305.341 2.535 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC000354318856 428965147 /nfs/dbraw/zinc/96/51/47/428965147.db2.gz MFLMCGRQXIFMFI-OAHLLOKOSA-N -1 3 305.341 2.535 20 0 DFADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC12CCC2 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CCCc1ncc(C[N-]S(=O)(=O)C[C@H](C)c2ccccc2)o1 ZINC000451958761 429026027 /nfs/dbraw/zinc/02/60/27/429026027.db2.gz LUYAXLNGYBHCAY-ZDUSSCGKSA-N -1 3 322.430 2.850 20 0 DFADHM CCCc1nc(C)c(CNC(=O)c2ccc(C(C)=O)c([O-])c2)o1 ZINC000412371106 429027269 /nfs/dbraw/zinc/02/72/69/429027269.db2.gz XVIXVPWWIJKUPI-UHFFFAOYSA-N -1 3 316.357 2.774 20 0 DFADHM CC(C)[C@H]1CCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000412385823 429029722 /nfs/dbraw/zinc/02/97/22/429029722.db2.gz YBKKQLSRXICJCR-CYBMUJFWSA-N -1 3 306.312 2.677 20 0 DFADHM CS[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC000412387139 429030558 /nfs/dbraw/zinc/03/05/58/429030558.db2.gz VXOHIQCIHBHDER-SECBINFHSA-N -1 3 322.817 2.759 20 0 DFADHM CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000375970971 429030882 /nfs/dbraw/zinc/03/08/82/429030882.db2.gz XRLRIPQTXJBFDJ-IAGOWNOFSA-N -1 3 306.381 2.507 20 0 DFADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1)C1CC1 ZINC000451977051 429031314 /nfs/dbraw/zinc/03/13/14/429031314.db2.gz ZSLCNCMECISWGG-GZMMTYOYSA-N -1 3 323.867 2.802 20 0 DFADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cc2n(n1)CCCO2 ZINC000432990730 428977168 /nfs/dbraw/zinc/97/71/68/428977168.db2.gz GSMLKCBFWMNWBM-UHFFFAOYSA-N -1 3 313.691 2.850 20 0 DFADHM CCc1noc(C)c1[N-]C(=O)c1cn(-c2ccccc2C)nn1 ZINC000412224332 428987951 /nfs/dbraw/zinc/98/79/51/428987951.db2.gz ZSIFNQWHKVWJQU-UHFFFAOYSA-N -1 3 311.345 2.687 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000375832538 428990384 /nfs/dbraw/zinc/99/03/84/428990384.db2.gz CUYQPNPLTBVESE-HUUCEWRRSA-N -1 3 309.793 2.758 20 0 DFADHM C[C@H](CNC(=O)NCc1ncccc1[O-])Sc1ccccc1 ZINC000349494396 428995097 /nfs/dbraw/zinc/99/50/97/428995097.db2.gz RNTMCYLAGHXYGV-GFCCVEGCSA-N -1 3 317.414 2.767 20 0 DFADHM CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000423705693 428999663 /nfs/dbraw/zinc/99/96/63/428999663.db2.gz IEUMOTJMLSPWAO-ZXIHIIQKSA-N -1 3 324.808 2.517 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@H](CO)CC2CCCC2)cc1[O-] ZINC000412311206 429011999 /nfs/dbraw/zinc/01/19/99/429011999.db2.gz FOQUNPOHIGCOEE-CQSZACIVSA-N -1 3 319.401 2.513 20 0 DFADHM O=C(Nc1ccccc1OC(F)F)c1cc(F)cc2[n-]nnc21 ZINC000433217715 429012881 /nfs/dbraw/zinc/01/28/81/429012881.db2.gz BVFCRANPLATVKW-UHFFFAOYSA-N -1 3 322.246 2.951 20 0 DFADHM O=C(Nc1ccccc1OC(F)F)c1cc(F)cc2nn[n-]c21 ZINC000433217715 429012885 /nfs/dbraw/zinc/01/28/85/429012885.db2.gz BVFCRANPLATVKW-UHFFFAOYSA-N -1 3 322.246 2.951 20 0 DFADHM O=C(Nc1ccccc1OC(F)F)c1cc(F)cc2n[n-]nc21 ZINC000433217715 429012888 /nfs/dbraw/zinc/01/28/88/429012888.db2.gz BVFCRANPLATVKW-UHFFFAOYSA-N -1 3 322.246 2.951 20 0 DFADHM CC(C)N1CC[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000412412016 429036375 /nfs/dbraw/zinc/03/63/75/429036375.db2.gz RJBOVTISBGNVLI-LLVKDONJSA-N -1 3 314.788 2.739 20 0 DFADHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2sccc2Cl)cn1 ZINC000452008975 429037652 /nfs/dbraw/zinc/03/76/52/429037652.db2.gz TZOHZTUVSBUZRB-MRVPVSSYSA-N -1 3 319.839 2.657 20 0 DFADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000452060598 429043797 /nfs/dbraw/zinc/04/37/97/429043797.db2.gz DUUGZLFAEPQRQD-NXEZZACHSA-N -1 3 323.867 2.946 20 0 DFADHM C[C@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)Cc2ccccc2O1 ZINC000452121516 429063104 /nfs/dbraw/zinc/06/31/04/429063104.db2.gz JXZQKVMPQHGTQC-LBPRGKRZSA-N -1 3 315.344 2.884 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@@H]3C[C@H](C)O[C@H]3C)ccc2[n-]1 ZINC000412666173 429079627 /nfs/dbraw/zinc/07/96/27/429079627.db2.gz YLRIZZMFRBVXEI-GVXVVHGQSA-N -1 3 317.389 2.505 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@@H]3C[C@H](C)O[C@H]3C)cc2[n-]1 ZINC000412666173 429079628 /nfs/dbraw/zinc/07/96/28/429079628.db2.gz YLRIZZMFRBVXEI-GVXVVHGQSA-N -1 3 317.389 2.505 20 0 DFADHM Cc1cscc1C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000487371847 429151404 /nfs/dbraw/zinc/15/14/04/429151404.db2.gz YLKKPWSQCOKVON-UHFFFAOYSA-N -1 3 321.345 2.952 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCOc3c(F)cccc3C2)n1 ZINC000364001755 429155149 /nfs/dbraw/zinc/15/51/49/429155149.db2.gz QUPOUYMWJKQZQL-LLVKDONJSA-N -1 3 303.337 2.585 20 0 DFADHM COC(=O)c1cnc([C@H](C)NCc2cc([O-])cc(F)c2)s1 ZINC000424200291 429109302 /nfs/dbraw/zinc/10/93/02/429109302.db2.gz LWSGNKVNSGKXDG-QMMMGPOBSA-N -1 3 310.350 2.625 20 0 DFADHM CSc1ccc(C(=O)N[C@@H]2CCCc3c[nH]nc32)c([O-])c1 ZINC000376428087 429112549 /nfs/dbraw/zinc/11/25/49/429112549.db2.gz NEBBQYQOCXKYEE-GFCCVEGCSA-N -1 3 303.387 2.645 20 0 DFADHM C[C@@H]1CCCN(Cc2ncccc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000424265804 429117017 /nfs/dbraw/zinc/11/70/17/429117017.db2.gz ILROQUQBMCLXML-SKDRFNHKSA-N -1 3 302.296 2.786 20 0 DFADHM Cc1ccc(-c2noc([N-]Cc3cnc4n3CCCC4)n2)cc1 ZINC000376475204 429119420 /nfs/dbraw/zinc/11/94/20/429119420.db2.gz QUJDPFYIDFZWCA-UHFFFAOYSA-N -1 3 309.373 3.190 20 0 DFADHM CC(=O)c1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000412998191 429119779 /nfs/dbraw/zinc/11/97/79/429119779.db2.gz XIDVITHHDONSCJ-UHFFFAOYSA-N -1 3 302.305 2.980 20 0 DFADHM C[C@@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)[C@@H]1C(=O)[O-] ZINC000424418886 429137008 /nfs/dbraw/zinc/13/70/08/429137008.db2.gz NYJQHSLGQVHQRB-WBMJQRKESA-N -1 3 317.364 2.697 20 0 DFADHM CCc1ccccc1CCSc1nc2nncc-2c(O)[n-]1 ZINC000435796914 429164908 /nfs/dbraw/zinc/16/49/08/429164908.db2.gz JEAHCJCBBMTIBD-UHFFFAOYSA-N -1 3 300.387 2.956 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000364309883 429179718 /nfs/dbraw/zinc/17/97/18/429179718.db2.gz WVVDUHGPAHSMCI-UONOGXRCSA-N -1 3 319.401 2.680 20 0 DFADHM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000488962732 429210996 /nfs/dbraw/zinc/21/09/96/429210996.db2.gz POLYSMKVXOCCFR-CYBMUJFWSA-N -1 3 321.384 2.992 20 0 DFADHM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000488962732 429211002 /nfs/dbraw/zinc/21/10/02/429211002.db2.gz POLYSMKVXOCCFR-CYBMUJFWSA-N -1 3 321.384 2.992 20 0 DFADHM [O-]c1ccc(F)c(CNc2nnc(CC3CCCC3)o2)c1F ZINC000438925542 429213148 /nfs/dbraw/zinc/21/31/48/429213148.db2.gz AOFFHPXPFASVCH-UHFFFAOYSA-N -1 3 309.316 3.398 20 0 DFADHM CCc1nc(C)c([N-]S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)s1 ZINC000489019307 429214053 /nfs/dbraw/zinc/21/40/53/429214053.db2.gz VVVJZISLOGWXJU-UWVGGRQHSA-N -1 3 317.480 2.649 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000495526043 429217912 /nfs/dbraw/zinc/21/79/12/429217912.db2.gz OXXGYBBRODUYTB-LLVKDONJSA-N -1 3 306.362 2.649 20 0 DFADHM Cc1ccc2oc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2n1 ZINC000364519533 429218699 /nfs/dbraw/zinc/21/86/99/429218699.db2.gz LUBTXHKJVSVPSZ-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1ccc2oc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2n1 ZINC000364519533 429218705 /nfs/dbraw/zinc/21/87/05/429218705.db2.gz LUBTXHKJVSVPSZ-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCC[C@H](n3ccnn3)C2)c([O-])c1 ZINC000425006565 429218772 /nfs/dbraw/zinc/21/87/72/429218772.db2.gz PSMADNMSWMDXAO-AWEZNQCLSA-N -1 3 314.389 2.584 20 0 DFADHM Cn1cncc1CSc1nnc([N-]c2ccccc2F)s1 ZINC000439539910 429219032 /nfs/dbraw/zinc/21/90/32/429219032.db2.gz HMKLGLOETPUBOH-UHFFFAOYSA-N -1 3 321.406 3.447 20 0 DFADHM Cc1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])nn1C ZINC000436610476 429200080 /nfs/dbraw/zinc/20/00/80/429200080.db2.gz YGMPPNHCWAYUSU-UHFFFAOYSA-N -1 3 323.352 3.479 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OCc2ncccc2C)cc1[O-] ZINC000495691853 429246941 /nfs/dbraw/zinc/24/69/41/429246941.db2.gz DFHLPYCYPCERJL-UHFFFAOYSA-N -1 3 316.313 2.631 20 0 DFADHM CCc1cc(C(=O)N[C@@H](C(C)C)[C@@H](CO)C(C)C)ccc1[O-] ZINC000456148800 429248478 /nfs/dbraw/zinc/24/84/78/429248478.db2.gz MOVAQMZNNDRHEM-RDJZCZTQSA-N -1 3 307.434 2.974 20 0 DFADHM CCOc1cccc(-c2cccc(NC(=O)c3cnn[n-]3)n2)c1 ZINC000489532722 429250718 /nfs/dbraw/zinc/25/07/18/429250718.db2.gz VGGMHZXJCCYCFL-UHFFFAOYSA-N -1 3 309.329 2.518 20 0 DFADHM CCOc1cccc(-c2cccc(NC(=O)c3c[n-]nn3)n2)c1 ZINC000489532722 429250720 /nfs/dbraw/zinc/25/07/20/429250720.db2.gz VGGMHZXJCCYCFL-UHFFFAOYSA-N -1 3 309.329 2.518 20 0 DFADHM CCOc1cccc(-c2cccc(NC(=O)c3cn[n-]n3)n2)c1 ZINC000489532722 429250724 /nfs/dbraw/zinc/25/07/24/429250724.db2.gz VGGMHZXJCCYCFL-UHFFFAOYSA-N -1 3 309.329 2.518 20 0 DFADHM COc1cc(C(=O)[N-]c2cc(Cl)cnc2OC(C)C)on1 ZINC000456205166 429258310 /nfs/dbraw/zinc/25/83/10/429258310.db2.gz NOGCXVLAVOMSOA-UHFFFAOYSA-N -1 3 311.725 2.771 20 0 DFADHM CC(C)(C)OC(=O)Nc1cccc(COC(=O)c2cnn[n-]2)c1 ZINC000495767466 429261175 /nfs/dbraw/zinc/26/11/75/429261175.db2.gz AIZAGEKPQMKLOA-UHFFFAOYSA-N -1 3 318.333 2.509 20 0 DFADHM CC(C)(C)OC(=O)Nc1cccc(COC(=O)c2c[n-]nn2)c1 ZINC000495767466 429261178 /nfs/dbraw/zinc/26/11/78/429261178.db2.gz AIZAGEKPQMKLOA-UHFFFAOYSA-N -1 3 318.333 2.509 20 0 DFADHM CCc1cc(C(=O)Nc2cnn([C@@H]3CCOC3)c2C)ccc1[O-] ZINC000456241843 429262855 /nfs/dbraw/zinc/26/28/55/429262855.db2.gz JLSYTFCBNLSURK-CQSZACIVSA-N -1 3 315.373 2.673 20 0 DFADHM CCc1cc(C(=O)Nc2cnn([C@H]3CCOC3)c2C)ccc1[O-] ZINC000456241842 429263345 /nfs/dbraw/zinc/26/33/45/429263345.db2.gz JLSYTFCBNLSURK-AWEZNQCLSA-N -1 3 315.373 2.673 20 0 DFADHM O=C(NCc1nc(-c2ccc(F)cc2)c[nH]1)c1cccc([O-])c1 ZINC000365014787 429273750 /nfs/dbraw/zinc/27/37/50/429273750.db2.gz QERPYWCADFAYJQ-UHFFFAOYSA-N -1 3 311.316 2.851 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000456316315 429274737 /nfs/dbraw/zinc/27/47/37/429274737.db2.gz KIMZOZROSHAAHE-RBSFLKMASA-N -1 3 303.402 2.578 20 0 DFADHM Nc1nc(C2CC2)ncc1-c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000445597098 429289361 /nfs/dbraw/zinc/28/93/61/429289361.db2.gz NCZZCFFVVHWBOM-QPJJXVBHSA-N -1 3 321.340 2.862 20 0 DFADHM CCc1cc(C(=O)N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)ccc1[O-] ZINC000456330040 429278206 /nfs/dbraw/zinc/27/82/06/429278206.db2.gz KHDOOXXXCFLGDE-FVQBIDKESA-N -1 3 303.402 2.578 20 0 DFADHM CSc1ccc(C(=O)N2CCOC[C@H]2c2ccco2)c([O-])c1 ZINC000365520433 429333605 /nfs/dbraw/zinc/33/36/05/429333605.db2.gz GMDVJFHOZGWWRR-ZDUSSCGKSA-N -1 3 319.382 2.921 20 0 DFADHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2ccco2)c1 ZINC000445731191 429290776 /nfs/dbraw/zinc/29/07/76/429290776.db2.gz HHNRZNIKHIYRSI-KGLIPLIRSA-N -1 3 307.371 2.513 20 0 DFADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(C)ccc1F)OC ZINC000490576139 429294326 /nfs/dbraw/zinc/29/43/26/429294326.db2.gz BKBGMWBKVYQEBZ-UHFFFAOYSA-N -1 3 303.399 2.618 20 0 DFADHM C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[O-])CCCC3)c2nccn21 ZINC000456431523 429306386 /nfs/dbraw/zinc/30/63/86/429306386.db2.gz SOZFRJMOIFCNSD-ABAIWWIYSA-N -1 3 311.385 2.903 20 0 DFADHM COCc1ccc(C(=O)[N-]c2cc(-c3ccccc3F)on2)o1 ZINC000448490810 429311617 /nfs/dbraw/zinc/31/16/17/429311617.db2.gz DPYLXYGZDFAIMO-UHFFFAOYSA-N -1 3 316.288 3.472 20 0 DFADHM Cc1ncsc1C(=O)[N-]c1cc(-c2cccc(F)c2)on1 ZINC000448539621 429313725 /nfs/dbraw/zinc/31/37/25/429313725.db2.gz VUVRIZZDPJESBS-UHFFFAOYSA-N -1 3 303.318 3.498 20 0 DFADHM Cc1nscc1C(=O)[N-]c1cc(-c2cccc(F)c2)on1 ZINC000448536487 429314148 /nfs/dbraw/zinc/31/41/48/429314148.db2.gz BPALZQYKIVOQRE-UHFFFAOYSA-N -1 3 303.318 3.498 20 0 DFADHM CCc1cc(C(=O)N2CCCC[C@@H]2c2nnc(C)[nH]2)ccc1[O-] ZINC000365966898 429407291 /nfs/dbraw/zinc/40/72/91/429407291.db2.gz ZDIRGSSDPFFZHB-CQSZACIVSA-N -1 3 314.389 2.749 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000508773660 429355355 /nfs/dbraw/zinc/35/53/55/429355355.db2.gz LYSRTWXOKSICFJ-YABSGUDNSA-N -1 3 310.191 2.612 20 0 DFADHM Cc1ccc2c(c1)[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)CO2 ZINC000514639830 429366910 /nfs/dbraw/zinc/36/69/10/429366910.db2.gz RKZMMTBWQYOTOF-OAHLLOKOSA-N -1 3 320.352 2.644 20 0 DFADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cn[n-]c1-c1ccccn1)CO2 ZINC000514639830 429366915 /nfs/dbraw/zinc/36/69/15/429366915.db2.gz RKZMMTBWQYOTOF-OAHLLOKOSA-N -1 3 320.352 2.644 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2ccc3ccccc3n2)[n-]1 ZINC000491507899 429367659 /nfs/dbraw/zinc/36/76/59/429367659.db2.gz VPEPJHMFPLVJEB-CMDGGOBGSA-N -1 3 311.370 2.727 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2ccc3ccccc3n2)n1 ZINC000491507899 429367663 /nfs/dbraw/zinc/36/76/63/429367663.db2.gz VPEPJHMFPLVJEB-CMDGGOBGSA-N -1 3 311.370 2.727 20 0 DFADHM CSc1nc(NC(=O)C=Cc2ccc3ccccc3n2)n[n-]1 ZINC000491507899 429367667 /nfs/dbraw/zinc/36/76/67/429367667.db2.gz VPEPJHMFPLVJEB-CMDGGOBGSA-N -1 3 311.370 2.727 20 0 DFADHM CCCCCc1nnc([N-]C(=O)c2cn(CC3CC3)nn2)s1 ZINC000449257705 429368164 /nfs/dbraw/zinc/36/81/64/429368164.db2.gz NAVNKAODRRIHOJ-UHFFFAOYSA-N -1 3 320.422 2.525 20 0 DFADHM Cc1occc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000365783554 429372750 /nfs/dbraw/zinc/37/27/50/429372750.db2.gz PYTUHCSLSJHORP-UHFFFAOYSA-N -1 3 316.748 2.711 20 0 DFADHM CC(C)=C(F)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000365796838 429373355 /nfs/dbraw/zinc/37/33/55/429373355.db2.gz PXNHHDZFHVSIBD-UHFFFAOYSA-N -1 3 308.744 2.759 20 0 DFADHM CCCC(C)(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000426373283 429386410 /nfs/dbraw/zinc/38/64/10/429386410.db2.gz RVLXASSQPRDKNI-UHFFFAOYSA-N -1 3 301.394 2.699 20 0 DFADHM CCCC(C)(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000426373283 429386415 /nfs/dbraw/zinc/38/64/15/429386415.db2.gz RVLXASSQPRDKNI-UHFFFAOYSA-N -1 3 301.394 2.699 20 0 DFADHM CCc1cc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)ccc1[O-] ZINC000365852093 429387811 /nfs/dbraw/zinc/38/78/11/429387811.db2.gz ALPNNLXVIPQSKN-OAHLLOKOSA-N -1 3 315.373 2.582 20 0 DFADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC[C@@H](CO)C3)c2c1 ZINC000518985016 429441839 /nfs/dbraw/zinc/44/18/39/429441839.db2.gz LSLQBZQCFDBSHU-CYBMUJFWSA-N -1 3 314.385 2.759 20 0 DFADHM Cc1ccc2c(CSc3nnc(N)s3)ccc([O-])c2n1 ZINC000427257663 429442851 /nfs/dbraw/zinc/44/28/51/429442851.db2.gz SKTGKOULSRBLAG-UHFFFAOYSA-N -1 3 304.400 2.975 20 0 DFADHM Cc1ncc(CNC(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)c(=O)[n-]1 ZINC000518988353 429443240 /nfs/dbraw/zinc/44/32/40/429443240.db2.gz WICNMVZJAAOXJN-PXAAAUNGSA-N -1 3 318.421 2.505 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1Cc2cccc(Cl)c2C1 ZINC000366271068 429444552 /nfs/dbraw/zinc/44/45/52/429444552.db2.gz INHMQXRTJMYUDR-SNAWJCMRSA-N -1 3 300.745 2.996 20 0 DFADHM O=C(/C=C/c1ccnc2ccccc12)NCc1ncccc1[O-] ZINC000491994788 429448276 /nfs/dbraw/zinc/44/82/76/429448276.db2.gz BTCZDUQOYIKFOB-BQYQJAHWSA-N -1 3 305.337 2.665 20 0 DFADHM Cc1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c(Cl)c1 ZINC000427503195 429454809 /nfs/dbraw/zinc/45/48/09/429454809.db2.gz ZEBKZJXPOJYWAZ-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM Cc1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c(Cl)c1 ZINC000427503195 429454810 /nfs/dbraw/zinc/45/48/10/429454810.db2.gz ZEBKZJXPOJYWAZ-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM Cc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(Cl)c1 ZINC000427503195 429454814 /nfs/dbraw/zinc/45/48/14/429454814.db2.gz ZEBKZJXPOJYWAZ-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM C[C@H]1CC[C@@H](CNC(=O)c2cc([O-])ccc2C(F)(F)F)O1 ZINC000457385382 429455733 /nfs/dbraw/zinc/45/57/33/429455733.db2.gz WOCMLRGUSDBCHM-WPRPVWTQSA-N -1 3 303.280 2.708 20 0 DFADHM C[C@@](O)(CN1CCCC[C@@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000519412986 429457447 /nfs/dbraw/zinc/45/74/47/429457447.db2.gz WSFHDKVZVKXWKQ-NVXWUHKLSA-N -1 3 302.374 2.531 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC(F)(c2ccccn2)CC1 ZINC000519416696 429458753 /nfs/dbraw/zinc/45/87/53/429458753.db2.gz PVTICTSPMRXPDH-UHFFFAOYSA-N -1 3 316.332 2.594 20 0 DFADHM C[C@]1(C(=O)[O-])CCCC[C@H]1NCc1ccn(-c2ccccc2)n1 ZINC000426726972 429411581 /nfs/dbraw/zinc/41/15/81/429411581.db2.gz LULNHJOQIZYXHQ-AEFFLSMTSA-N -1 3 313.401 2.995 20 0 DFADHM Cc1cc(C)n(C[C@@H](NCc2ccc(Cl)cc2C)C(=O)[O-])n1 ZINC000426732296 429411964 /nfs/dbraw/zinc/41/19/64/429411964.db2.gz SLTWXRQOWQGKJP-OAHLLOKOSA-N -1 3 321.808 2.705 20 0 DFADHM Cc1ncccc1CN[C@H](Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000426746845 429412827 /nfs/dbraw/zinc/41/28/27/429412827.db2.gz KZHGNRHMLIAHDE-OAHLLOKOSA-N -1 3 322.767 2.968 20 0 DFADHM Cc1ccc(CN[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])nc1 ZINC000426764545 429413191 /nfs/dbraw/zinc/41/31/91/429413191.db2.gz XFTIVFDMRPFXJN-OAHLLOKOSA-N -1 3 322.767 2.968 20 0 DFADHM [O-]c1cc(F)cc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000449429901 429415239 /nfs/dbraw/zinc/41/52/39/429415239.db2.gz VJHMIOPDUOBBGK-ZWKOTPCHSA-N -1 3 319.351 2.831 20 0 DFADHM O=C([O-])[C@H](NC/C=C/c1ccc(F)cc1)c1ccc(O)cc1 ZINC000426785505 429416216 /nfs/dbraw/zinc/41/62/16/429416216.db2.gz XUFPLFSLGYVUBJ-XGBNDESESA-N -1 3 301.317 2.960 20 0 DFADHM CCc1ccc([C@H](NCc2ccc(OC)nc2)C(=O)[O-])cc1 ZINC000426824057 429419041 /nfs/dbraw/zinc/41/90/41/429419041.db2.gz GGNJJWWTHJFJBA-INIZCTEOSA-N -1 3 300.358 2.568 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC[C@@H](C)c1ccccc1 ZINC000427162272 429435938 /nfs/dbraw/zinc/43/59/38/429435938.db2.gz KHCIPNDXXCJTFB-SNVBAGLBSA-N -1 3 301.346 2.719 20 0 DFADHM COCc1cc(C(=O)[N-]c2nc(-c3ccccc3F)co2)no1 ZINC000366869615 429529039 /nfs/dbraw/zinc/52/90/39/429529039.db2.gz BLHPBXPQUOYBSD-UHFFFAOYSA-N -1 3 317.276 2.867 20 0 DFADHM O=C([O-])c1ccccc1OCCN1CCC([C@@H]2CCCO2)CC1 ZINC000519638813 429473053 /nfs/dbraw/zinc/47/30/53/429473053.db2.gz GIRCOYUNICISNM-INIZCTEOSA-N -1 3 319.401 2.655 20 0 DFADHM C[C@H]1CN(Cc2cc([O-])cc(F)c2)CCN(CC(F)(F)F)C1 ZINC000449664021 429474904 /nfs/dbraw/zinc/47/49/04/429474904.db2.gz KTBUDKNNYNRMOH-NSHDSACASA-N -1 3 320.330 2.847 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c([O-])c1 ZINC000449876021 429530048 /nfs/dbraw/zinc/53/00/48/429530048.db2.gz GQYXNWKKAVGKBJ-GMXVVIOVSA-N -1 3 303.358 2.944 20 0 DFADHM COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cccc([O-])c1 ZINC000427962347 429480299 /nfs/dbraw/zinc/48/02/99/429480299.db2.gz FHRCRPBOMCDTME-OAHLLOKOSA-N -1 3 305.374 2.634 20 0 DFADHM CCOc1cccc(CN(CCO)Cc2cc([O-])cc(F)c2)c1 ZINC000449763930 429502977 /nfs/dbraw/zinc/50/29/77/429502977.db2.gz WYPFYLLYXFWZPW-UHFFFAOYSA-N -1 3 319.376 2.925 20 0 DFADHM COc1nc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)n[n-]1 ZINC000457685620 429507368 /nfs/dbraw/zinc/50/73/68/429507368.db2.gz DXFZJECERWMPMA-UHFFFAOYSA-N -1 3 308.769 2.674 20 0 DFADHM COc1nnc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)[n-]1 ZINC000457685620 429507372 /nfs/dbraw/zinc/50/73/72/429507372.db2.gz DXFZJECERWMPMA-UHFFFAOYSA-N -1 3 308.769 2.674 20 0 DFADHM COc1n[n-]c(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)n1 ZINC000457685620 429507375 /nfs/dbraw/zinc/50/73/75/429507375.db2.gz DXFZJECERWMPMA-UHFFFAOYSA-N -1 3 308.769 2.674 20 0 DFADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1oncc1C(=O)[O-] ZINC000520416479 429515722 /nfs/dbraw/zinc/51/57/22/429515722.db2.gz DXGGIOHUTGKQGO-ZYHUDNBSSA-N -1 3 304.321 2.890 20 0 DFADHM CC[C@H](CC(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000449847694 429524745 /nfs/dbraw/zinc/52/47/45/429524745.db2.gz BPBWVWSRLQUBEK-CYBMUJFWSA-N -1 3 301.394 2.555 20 0 DFADHM CC[C@H](CC(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000449847694 429524749 /nfs/dbraw/zinc/52/47/49/429524749.db2.gz BPBWVWSRLQUBEK-CYBMUJFWSA-N -1 3 301.394 2.555 20 0 DFADHM CC(=O)Nc1ccc(F)c(NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000492380761 429525118 /nfs/dbraw/zinc/52/51/18/429525118.db2.gz QSVSEXFRBQMHIJ-GORDUTHDSA-N -1 3 315.304 2.537 20 0 DFADHM O=c1[n-]nc(CN2CC[C@@](F)(c3ccccc3Cl)C2)s1 ZINC000366961250 429549955 /nfs/dbraw/zinc/54/99/55/429549955.db2.gz JCSCJUCHSGKXDA-ZDUSSCGKSA-N -1 3 313.785 2.968 20 0 DFADHM CCC1(C)CN(C(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)C1 ZINC000428835239 429556497 /nfs/dbraw/zinc/55/64/97/429556497.db2.gz XQXQVABZSLRTCC-UHFFFAOYSA-N -1 3 318.348 2.548 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCC(C(F)(F)F)CC1 ZINC000492521820 429557265 /nfs/dbraw/zinc/55/72/65/429557265.db2.gz RJSLANULJSTDCI-UPHRSURJSA-N -1 3 300.280 2.601 20 0 DFADHM C[C@@H]1CN(C(=O)/C=C\c2cncc([O-])c2)[C@H](c2ccccc2)CO1 ZINC000492522649 429557467 /nfs/dbraw/zinc/55/74/67/429557467.db2.gz UTAXRCGASHXJNW-OANZSSJVSA-N -1 3 324.380 2.789 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)Nc1nnc(-c2ccco2)s1 ZINC000492523319 429557800 /nfs/dbraw/zinc/55/78/00/429557800.db2.gz WKNBRIQBOOHMRB-ARJAWSKDSA-N -1 3 314.326 2.551 20 0 DFADHM O=C(/C=C/c1cccc(OC2CCCC2)c1)[N-]O[C@H]1CCOC1 ZINC000492531981 429558319 /nfs/dbraw/zinc/55/83/19/429558319.db2.gz IAMJVJRLTBKSPT-IJDCCNJMSA-N -1 3 317.385 2.858 20 0 DFADHM O=C(/C=C\c1cc(Br)ccc1F)[N-]OCC(F)F ZINC000492584012 429570855 /nfs/dbraw/zinc/57/08/55/429570855.db2.gz UPZRSRQVTCMXHO-RJRFIUFISA-N -1 3 324.096 2.914 20 0 DFADHM CCOc1nc2cc(C(=O)NCCCc3ccccn3)ccc2[n-]1 ZINC000450178012 429576526 /nfs/dbraw/zinc/57/65/26/429576526.db2.gz ZNKGNCQFLPSLPB-UHFFFAOYSA-N -1 3 324.384 2.719 20 0 DFADHM CCOc1nc2ccc(C(=O)NCCCc3ccccn3)cc2[n-]1 ZINC000450178012 429576529 /nfs/dbraw/zinc/57/65/29/429576529.db2.gz ZNKGNCQFLPSLPB-UHFFFAOYSA-N -1 3 324.384 2.719 20 0 DFADHM Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)[N-]OCC(F)F ZINC000492628106 429582844 /nfs/dbraw/zinc/58/28/44/429582844.db2.gz WJDZOSSRKJIYJI-PLNGDYQASA-N -1 3 321.755 2.827 20 0 DFADHM CCOc1ccc(/C=C/C(=O)[N-]OC2CCOCC2)cc1C ZINC000492649769 429587104 /nfs/dbraw/zinc/58/71/04/429587104.db2.gz QATNDJIRXGYJST-FNORWQNLSA-N -1 3 305.374 2.634 20 0 DFADHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)/C=C\c1cncc([O-])c1 ZINC000492445113 429538944 /nfs/dbraw/zinc/53/89/44/429538944.db2.gz RYANYCZNXFGNCR-LEXSJLIMSA-N -1 3 310.353 2.667 20 0 DFADHM Cc1nc2cc(NC(=O)/C=C/c3cncc([O-])c3)ccc2n1C ZINC000492444173 429539645 /nfs/dbraw/zinc/53/96/45/429539645.db2.gz QPUVXTJJIWDEHH-ZZXKWVIFSA-N -1 3 308.341 2.634 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CC[C@H](COc2ccccc2)C1 ZINC000492450536 429540276 /nfs/dbraw/zinc/54/02/76/429540276.db2.gz RFYAXEZGPXMVKC-MOEXGYKKSA-N -1 3 324.380 2.728 20 0 DFADHM COc1cccc(C2=CCN(Cc3n[n-]c(=O)s3)CC2)c1 ZINC000366943595 429544918 /nfs/dbraw/zinc/54/49/18/429544918.db2.gz MBMLRLKBESVAHA-UHFFFAOYSA-N -1 3 303.387 2.542 20 0 DFADHM COc1cc(F)c(NC(=O)/C=C\c2cncc([O-])c2)cc1F ZINC000492469581 429545675 /nfs/dbraw/zinc/54/56/75/429545675.db2.gz DDKRLXSJPURPBL-IHWYPQMZSA-N -1 3 306.268 2.726 20 0 DFADHM C[C@H](CNC(=O)/C=C\c1cncc([O-])c1)c1ccc(F)cc1 ZINC000492473327 429546486 /nfs/dbraw/zinc/54/64/86/429546486.db2.gz MLTALCFULWQKRU-QXYGSRGCSA-N -1 3 300.333 2.859 20 0 DFADHM Cc1csc(C2(NC(=O)/C=C\c3cncc([O-])c3)CCC2)n1 ZINC000492472681 429547013 /nfs/dbraw/zinc/54/70/13/429547013.db2.gz KXKRVYJKVCHPGI-ARJAWSKDSA-N -1 3 315.398 2.761 20 0 DFADHM Cc1ccc(C(=O)N2CCOc3cccc(F)c3C2)c([O-])c1 ZINC000367299867 429615758 /nfs/dbraw/zinc/61/57/58/429615758.db2.gz QMGPFXMCHSIAAI-UHFFFAOYSA-N -1 3 301.317 2.875 20 0 DFADHM Cc1ccc2c(CN3CCC[C@H]3c3nncn3C)ccc([O-])c2n1 ZINC000429682812 429624625 /nfs/dbraw/zinc/62/46/25/429624625.db2.gz JKVCFXWRJKBXSE-HNNXBMFYSA-N -1 3 323.400 2.714 20 0 DFADHM C[C@H](O)c1cc(NC(=O)/C=C\c2cncc([O-])c2)ccc1F ZINC000492843005 429627393 /nfs/dbraw/zinc/62/73/93/429627393.db2.gz SSMMENMFVHBPAF-ODTOEKCJSA-N -1 3 302.305 2.632 20 0 DFADHM C[C@@H]1CC(CCNC(=O)/C=C/c2cncc([O-])c2)C[C@@H](C)O1 ZINC000492892612 429639794 /nfs/dbraw/zinc/63/97/94/429639794.db2.gz FJCAJIDWPVZCHT-CDJBXZAQSA-N -1 3 304.390 2.510 20 0 DFADHM CCOCc1nc(C)c(C(=O)[N-]c2ncn(C(C)(C)C)n2)s1 ZINC000450554738 429646733 /nfs/dbraw/zinc/64/67/33/429646733.db2.gz FCLHWIFIXZRAGA-UHFFFAOYSA-N -1 3 323.422 2.587 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NC[C@H]1CCC2(CCCCC2)O1 ZINC000492947813 429650935 /nfs/dbraw/zinc/65/09/35/429650935.db2.gz HPAAWHACJGNSIZ-YIEVGGLXSA-N -1 3 316.401 2.799 20 0 DFADHM O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)[N-]OCCO ZINC000492678890 429592944 /nfs/dbraw/zinc/59/29/44/429592944.db2.gz LBQAFLBIGBZCDB-VURMDHGXSA-N -1 3 307.346 2.608 20 0 DFADHM C[C@]1(O)CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000450326621 429599429 /nfs/dbraw/zinc/59/94/29/429599429.db2.gz IDARRDGVXOCBEE-IBGZPJMESA-N -1 3 313.397 2.851 20 0 DFADHM C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000523424355 429604932 /nfs/dbraw/zinc/60/49/32/429604932.db2.gz UJHRWSTUXSKXIW-JTQLQIEISA-N -1 3 307.296 2.754 20 0 DFADHM COC(C)(C)CC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000429524693 429612058 /nfs/dbraw/zinc/61/20/58/429612058.db2.gz YERYSMGKJQLZIN-UHFFFAOYSA-N -1 3 314.345 2.972 20 0 DFADHM COC(C)(C)CC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000429524693 429612061 /nfs/dbraw/zinc/61/20/61/429612061.db2.gz YERYSMGKJQLZIN-UHFFFAOYSA-N -1 3 314.345 2.972 20 0 DFADHM COC(C)(C)CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000429524693 429612065 /nfs/dbraw/zinc/61/20/65/429612065.db2.gz YERYSMGKJQLZIN-UHFFFAOYSA-N -1 3 314.345 2.972 20 0 DFADHM CCCc1sc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1CC ZINC000523684672 429613056 /nfs/dbraw/zinc/61/30/56/429613056.db2.gz LTKARNYQWJVQSA-LBPRGKRZSA-N -1 3 321.446 2.505 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(F)ccc1C ZINC000525353507 429659323 /nfs/dbraw/zinc/65/93/23/429659323.db2.gz WVIBHDMMNAYGGH-UHFFFAOYSA-N -1 3 305.309 2.595 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(F)ccc1C ZINC000525353507 429659327 /nfs/dbraw/zinc/65/93/27/429659327.db2.gz WVIBHDMMNAYGGH-UHFFFAOYSA-N -1 3 305.309 2.595 20 0 DFADHM CC(C)[C@H](CO)O[N-]C(=O)/C=C\c1ccc(C(F)(F)F)cc1 ZINC000492984608 429660278 /nfs/dbraw/zinc/66/02/78/429660278.db2.gz KUDOPQWQRBULRA-UJZCVKTISA-N -1 3 317.307 2.783 20 0 DFADHM O=C(c1ccccc1[O-])N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000367535042 429667242 /nfs/dbraw/zinc/66/72/42/429667242.db2.gz CIYIZYJGRJFROJ-XHDPSFHLSA-N -1 3 319.307 2.619 20 0 DFADHM CCCn1c(=O)[n-]nc1SC[C@@H](Cc1ccccc1)OC ZINC000450669553 429675101 /nfs/dbraw/zinc/67/51/01/429675101.db2.gz BTPLJKYSXJPCNT-CYBMUJFWSA-N -1 3 307.419 2.744 20 0 DFADHM Cc1ccc(-c2nc([N-]C(=O)c3occ4c3CCOC4)n[nH]2)cc1 ZINC000367577076 429676874 /nfs/dbraw/zinc/67/68/74/429676874.db2.gz RUXLROWKNYUPOP-UHFFFAOYSA-N -1 3 324.340 2.698 20 0 DFADHM Cc1cc(-c2nc3ccc(F)cc3c(=O)[n-]2)ccc1-n1cncn1 ZINC000525714053 429669915 /nfs/dbraw/zinc/66/99/15/429669915.db2.gz VYBYJMUVXKLJGM-UHFFFAOYSA-N -1 3 321.315 2.618 20 0 DFADHM C[C@H]1CCCC[C@]1(C)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000458649213 429672210 /nfs/dbraw/zinc/67/22/10/429672210.db2.gz HHVPVINHPFDCDN-UFBFGSQYSA-N -1 3 319.331 2.592 20 0 DFADHM C[C@H]1CCCC[C@]1(C)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000458649213 429672216 /nfs/dbraw/zinc/67/22/16/429672216.db2.gz HHVPVINHPFDCDN-UFBFGSQYSA-N -1 3 319.331 2.592 20 0 DFADHM C[C@H]1CCCC[C@]1(C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000458649213 429672219 /nfs/dbraw/zinc/67/22/19/429672219.db2.gz HHVPVINHPFDCDN-UFBFGSQYSA-N -1 3 319.331 2.592 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(CF)CC3)nc2)n1 ZINC000450691288 429677963 /nfs/dbraw/zinc/67/79/63/429677963.db2.gz XLNJLPJJEXSXDS-UHFFFAOYSA-N -1 3 316.380 2.993 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)C=Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000493069573 429682175 /nfs/dbraw/zinc/68/21/75/429682175.db2.gz IDJKMWLVKSNSMD-XZDJDOCXSA-N -1 3 315.329 2.565 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)C=Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000493069573 429682179 /nfs/dbraw/zinc/68/21/79/429682179.db2.gz IDJKMWLVKSNSMD-XZDJDOCXSA-N -1 3 315.329 2.565 20 0 DFADHM C[C@]1(NC(=O)c2cccc3nn[n-]c32)CCCc2ccccc21 ZINC000525871049 429682933 /nfs/dbraw/zinc/68/29/33/429682933.db2.gz SCUAWLZFLJPQLB-SFHVURJKSA-N -1 3 306.369 2.939 20 0 DFADHM C[C@]1(NC(=O)c2cccc3[n-]nnc32)CCCc2ccccc21 ZINC000525871049 429682935 /nfs/dbraw/zinc/68/29/35/429682935.db2.gz SCUAWLZFLJPQLB-SFHVURJKSA-N -1 3 306.369 2.939 20 0 DFADHM C[C@]1(NC(=O)c2cccc3n[n-]nc32)CCCc2ccccc21 ZINC000525871049 429682939 /nfs/dbraw/zinc/68/29/39/429682939.db2.gz SCUAWLZFLJPQLB-SFHVURJKSA-N -1 3 306.369 2.939 20 0 DFADHM CCc1cccc(C(=O)NC2(CC(=O)OC)CCCC2)c1[O-] ZINC000525943634 429687280 /nfs/dbraw/zinc/68/72/80/429687280.db2.gz SDFZTNYREIYYFT-UHFFFAOYSA-N -1 3 305.374 2.560 20 0 DFADHM O=C(Nc1ccccc1[O-])[C@@H]1CCN(c2ccccc2F)C1 ZINC000367684903 429700120 /nfs/dbraw/zinc/70/01/20/429700120.db2.gz JJPCKFDKKPHTOA-GFCCVEGCSA-N -1 3 300.333 2.996 20 0 DFADHM Cc1cc(C(=O)NCc2ncccc2[O-])nn1C1CCCCC1 ZINC000526941704 429710222 /nfs/dbraw/zinc/71/02/22/429710222.db2.gz PPKXYKICDVQRIO-UHFFFAOYSA-N -1 3 314.389 2.727 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@@H]1CCSc2ccccc21 ZINC000526961343 429712902 /nfs/dbraw/zinc/71/29/02/429712902.db2.gz DRIAELCXVKVUQS-GFCCVEGCSA-N -1 3 300.383 2.683 20 0 DFADHM O=C(NCc1cc2c(s1)CCCC2)c1cccc2nn[n-]c21 ZINC000527358407 429746323 /nfs/dbraw/zinc/74/63/23/429746323.db2.gz JQDRABZTGNQQJO-UHFFFAOYSA-N -1 3 312.398 2.828 20 0 DFADHM O=C(NCc1cc2c(s1)CCCC2)c1cccc2[n-]nnc21 ZINC000527358407 429746327 /nfs/dbraw/zinc/74/63/27/429746327.db2.gz JQDRABZTGNQQJO-UHFFFAOYSA-N -1 3 312.398 2.828 20 0 DFADHM O=C(NCc1cc2c(s1)CCCC2)c1cccc2n[n-]nc21 ZINC000527358407 429746331 /nfs/dbraw/zinc/74/63/31/429746331.db2.gz JQDRABZTGNQQJO-UHFFFAOYSA-N -1 3 312.398 2.828 20 0 DFADHM C[C@H](NC(=O)c1cccc2nn[n-]c21)[C@H]1Oc2ccccc2[C@H]1C ZINC000527356693 429746511 /nfs/dbraw/zinc/74/65/11/429746511.db2.gz LEZOOEXFVYVHII-RLFDGXBXSA-N -1 3 322.368 2.641 20 0 DFADHM CCn1cc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)cn1 ZINC000527045896 429718550 /nfs/dbraw/zinc/71/85/50/429718550.db2.gz SAHFNYDTPOQGHD-UHFFFAOYSA-N -1 3 319.380 2.729 20 0 DFADHM C[C@H](NC(=O)c1cccc2[n-]nnc21)[C@H]1Oc2ccccc2[C@H]1C ZINC000527356693 429746523 /nfs/dbraw/zinc/74/65/23/429746523.db2.gz LEZOOEXFVYVHII-RLFDGXBXSA-N -1 3 322.368 2.641 20 0 DFADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)[C@H]1Oc2ccccc2[C@H]1C ZINC000527356693 429746526 /nfs/dbraw/zinc/74/65/26/429746526.db2.gz LEZOOEXFVYVHII-RLFDGXBXSA-N -1 3 322.368 2.641 20 0 DFADHM O=C(/C=C/c1ccc2ccc(Cl)cc2n1)[N-]O[C@@H]1CCOC1 ZINC000493285968 429728385 /nfs/dbraw/zinc/72/83/85/429728385.db2.gz KLTPPIXVPORUAT-VBROQKIQSA-N -1 3 318.760 2.738 20 0 DFADHM O=C(CCOc1ccc(F)c(Cl)c1)NCc1ncccc1[O-] ZINC000527190354 429729431 /nfs/dbraw/zinc/72/94/31/429729431.db2.gz AZTMUVHCRJDKJL-UHFFFAOYSA-N -1 3 324.739 2.665 20 0 DFADHM COc1cccc(C(=O)N2CC[C@H](Cc3ccncc3)C2)c1[O-] ZINC000367861835 429731245 /nfs/dbraw/zinc/73/12/45/429731245.db2.gz SXBKHORLCOUSDX-CQSZACIVSA-N -1 3 312.369 2.501 20 0 DFADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)nc2)c1 ZINC000430978861 429732239 /nfs/dbraw/zinc/73/22/39/429732239.db2.gz RHOUMLDZKQKMOF-UHFFFAOYSA-N -1 3 312.778 2.853 20 0 DFADHM Cc1cccc2c1OCC[C@H]2NC(=O)/C=C\c1cncc([O-])c1 ZINC000493307312 429733374 /nfs/dbraw/zinc/73/33/74/429733374.db2.gz UCUVCIFCHUGJQV-OGZRUICASA-N -1 3 310.353 2.749 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1cccnc1N1CCCCC1 ZINC000493325929 429738366 /nfs/dbraw/zinc/73/83/66/429738366.db2.gz SGOQISIPIYKZFX-VOTSOKGWSA-N -1 3 324.384 2.824 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCc3ccccc32)s1 ZINC000431075687 429740312 /nfs/dbraw/zinc/74/03/12/429740312.db2.gz GDULTIGIQKSDOK-ZDUSSCGKSA-N -1 3 322.455 2.850 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2ccc3nc(C)sc3c2)[n-]1 ZINC000431248952 429748489 /nfs/dbraw/zinc/74/84/89/429748489.db2.gz JSZLSIMMLVTXQF-UHFFFAOYSA-N -1 3 315.354 2.972 20 0 DFADHM CCCN1CCC([N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000451010743 429749238 /nfs/dbraw/zinc/74/92/38/429749238.db2.gz VIPILOZIXCTHNA-UHFFFAOYSA-N -1 3 322.883 2.554 20 0 DFADHM CCO/C=C\C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000493385430 429750936 /nfs/dbraw/zinc/75/09/36/429750936.db2.gz MTBNQUFYJFSNBF-SREVYHEPSA-N -1 3 300.152 2.952 20 0 DFADHM O=S(=O)([N-]CCCC1CC1)c1cnccc1C(F)(F)F ZINC000527485242 429752910 /nfs/dbraw/zinc/75/29/10/429752910.db2.gz GBMGIYFOKKQXPH-UHFFFAOYSA-N -1 3 308.325 2.569 20 0 DFADHM CC(C)OCCO[N-]C(=O)/C=C\c1nc2ccccc2s1 ZINC000493671664 429807028 /nfs/dbraw/zinc/80/70/28/429807028.db2.gz BTQLWSYIXIYOSB-FPLPWBNLSA-N -1 3 306.387 2.782 20 0 DFADHM CCc1nc2cc(NC(=O)c3ccc(C(=O)OC)[n-]3)ccc2o1 ZINC000431328810 429754974 /nfs/dbraw/zinc/75/49/74/429754974.db2.gz XWVUUGPHRJLUMQ-UHFFFAOYSA-N -1 3 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429783768 /nfs/dbraw/zinc/78/37/68/429783768.db2.gz GLENQQPLZVJHBP-UHFFFAOYSA-N -1 3 322.368 2.522 20 0 DFADHM CCOc1nc2cc(C(=O)N(CCOC)CC(C)C)ccc2[n-]1 ZINC000431912277 429790189 /nfs/dbraw/zinc/79/01/89/429790189.db2.gz IFTAZXFFQOHREM-UHFFFAOYSA-N -1 3 319.405 2.706 20 0 DFADHM CCOc1nc2ccc(C(=O)N(CCOC)CC(C)C)cc2[n-]1 ZINC000431912277 429790193 /nfs/dbraw/zinc/79/01/93/429790193.db2.gz IFTAZXFFQOHREM-UHFFFAOYSA-N -1 3 319.405 2.706 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@]12CCOC2 ZINC000368130026 429793146 /nfs/dbraw/zinc/79/31/46/429793146.db2.gz XXZJLBXMSBQAHR-ZANVPECISA-N -1 3 312.163 2.520 20 0 DFADHM Cc1ccccc1-c1nc(=NC[C@H](C2CC2)N(C)C)s[n-]1 ZINC000527882122 429815008 /nfs/dbraw/zinc/81/50/08/429815008.db2.gz ACKMVOIYXWWKHV-CQSZACIVSA-N -1 3 302.447 2.688 20 0 DFADHM CSc1cc(O)ccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000493723886 429817817 /nfs/dbraw/zinc/81/78/17/429817817.db2.gz OIBITFULMZNXKS-DJWKRKHSSA-N -1 3 302.355 2.867 20 0 DFADHM Cc1ccccc1-c1nc(=N[C@H]2CCN(C)[C@@H](C)C2)s[n-]1 ZINC000527902883 429818489 /nfs/dbraw/zinc/81/84/89/429818489.db2.gz HJNVSXAHJQHNPR-STQMWFEESA-N -1 3 302.447 2.830 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000451369688 429818544 /nfs/dbraw/zinc/81/85/44/429818544.db2.gz BSEHXAXYLBXZAV-RYUDHWBXSA-N -1 3 303.449 2.538 20 0 DFADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)CCO1 ZINC000451377103 429820237 /nfs/dbraw/zinc/82/02/37/429820237.db2.gz XSTZHWIMYQKWNG-DGCLKSJQSA-N -1 3 323.389 2.825 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)c1 ZINC000451391368 429821566 /nfs/dbraw/zinc/82/15/66/429821566.db2.gz FTLUUMPJZILSTL-NEPJUHHUSA-N -1 3 303.449 2.540 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c1 ZINC000451403224 429822527 /nfs/dbraw/zinc/82/25/27/429822527.db2.gz YKJYKACDVQEAJI-GFCCVEGCSA-N -1 3 303.449 2.684 20 0 DFADHM CC1(C)CN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]2CCC[C@H]2O1 ZINC000451466288 429830888 /nfs/dbraw/zinc/83/08/88/429830888.db2.gz 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Cc1cc(C)n([C@H]2CCCN(C(=O)c3cccc(C)c3[O-])C2)n1 ZINC000368672104 429885806 /nfs/dbraw/zinc/88/58/06/429885806.db2.gz YAEHAQWOHBRMDW-HNNXBMFYSA-N -1 3 313.401 2.991 20 0 DFADHM CC1(C)CC(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000528405262 429886459 /nfs/dbraw/zinc/88/64/59/429886459.db2.gz MMAVHEMGWWDTDN-UHFFFAOYSA-N -1 3 302.418 2.586 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)cn1C ZINC000528528172 429896989 /nfs/dbraw/zinc/89/69/89/429896989.db2.gz BJYSSIPQJXECRO-ZDUSSCGKSA-N -1 3 311.451 2.568 20 0 DFADHM CSc1ccc(C(=O)N2CCCC[C@H]2c2ncon2)c([O-])c1 ZINC000368937196 429902808 /nfs/dbraw/zinc/90/28/08/429902808.db2.gz FOWYJQOBICGWPH-LBPRGKRZSA-N -1 3 319.386 2.865 20 0 DFADHM Cc1ncccc1O[C@H]1CCN(Cc2cc([O-])cc(F)c2)C1 ZINC000368977457 429905466 /nfs/dbraw/zinc/90/54/66/429905466.db2.gz GYIALAWBSQQXNG-INIZCTEOSA-N -1 3 302.349 2.888 20 0 DFADHM COC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(C)C ZINC000528655902 429905778 /nfs/dbraw/zinc/90/57/78/429905778.db2.gz VFBHQEOSJAFGAJ-GFCCVEGCSA-N -1 3 316.195 2.556 20 0 DFADHM CC(C)COCCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000369191600 429918852 /nfs/dbraw/zinc/91/88/52/429918852.db2.gz BAACXXZQXSSATF-UHFFFAOYSA-N -1 3 305.418 2.960 20 0 DFADHM COc1ccc(C(=O)N2CCOc3c(F)cccc3C2)c([O-])c1 ZINC000369312921 429923479 /nfs/dbraw/zinc/92/34/79/429923479.db2.gz UJZAMJKWSRUEBW-UHFFFAOYSA-N -1 3 317.316 2.575 20 0 DFADHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)OC ZINC000451676534 429870918 /nfs/dbraw/zinc/87/09/18/429870918.db2.gz SMJMUASJYONOLO-JOYOIKCWSA-N -1 3 323.817 2.819 20 0 DFADHM CCc1nnsc1C(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000274720368 276703976 /nfs/dbraw/zinc/70/39/76/276703976.db2.gz UPCWWGJGLRQKBG-UHFFFAOYSA-N -1 3 320.296 2.922 20 0 DFADHM O=C([O-])c1cnc(NC[C@@H](c2cccs2)N2CCCC2)s1 ZINC000630455457 429966069 /nfs/dbraw/zinc/96/60/69/429966069.db2.gz GPVPODTYDSVLHM-JTQLQIEISA-N -1 3 323.443 3.152 20 0 DFADHM Cc1nc2c(n1[C@@H]1CC[N@@H+](Cc3ncccc3[O-])C1)CCCC2 ZINC000558404584 429969398 /nfs/dbraw/zinc/96/93/98/429969398.db2.gz 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C[C@H]1[C@H](Cc2ccccc2)CCN1Cc1cc(C(=O)[O-])nn1C ZINC000635302103 430250059 /nfs/dbraw/zinc/25/00/59/430250059.db2.gz GQHDPMBXOHNAGA-ZFWWWQNUSA-N -1 3 313.401 2.571 20 0 DFADHM Cc1ccccc1[C@@H](NCc1cc(C(=O)[O-])nn1C)C(C)C ZINC000635306468 430250308 /nfs/dbraw/zinc/25/03/08/430250308.db2.gz VKAJFJJWHDPRGW-INIZCTEOSA-N -1 3 301.390 2.914 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN1CC[C@@H](c2ccccc2)C1(C)C ZINC000635310537 430250518 /nfs/dbraw/zinc/25/05/18/430250518.db2.gz CYYBVRDKQGPBQS-HNNXBMFYSA-N -1 3 313.401 2.886 20 0 DFADHM Cc1ccc([C@H]2C[C@@H](C)N(Cc3cc(C(=O)[O-])nn3C)C2)cc1 ZINC000635313176 430253393 /nfs/dbraw/zinc/25/33/93/430253393.db2.gz JJXYWZCRJNMLGA-HIFRSBDPSA-N -1 3 313.401 2.805 20 0 DFADHM O=C([O-])CCCCNCc1cccc(Br)c1F ZINC000635312462 430253483 /nfs/dbraw/zinc/25/34/83/430253483.db2.gz AHRGEWZSKFIDER-UHFFFAOYSA-N -1 3 304.159 2.933 20 0 DFADHM COc1ccc(CNCCCCC(=O)[O-])c(Br)c1 ZINC000635313848 430253777 /nfs/dbraw/zinc/25/37/77/430253777.db2.gz RMGMYVJUWAXJFU-UHFFFAOYSA-N -1 3 316.195 2.802 20 0 DFADHM O=C([O-])[C@H]1CCCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000635322010 430255909 /nfs/dbraw/zinc/25/59/09/430255909.db2.gz ATPCNZLMYXUWMO-NSHDSACASA-N -1 3 305.403 2.570 20 0 DFADHM COC(=O)c1ccc(C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000155634875 277427054 /nfs/dbraw/zinc/42/70/54/277427054.db2.gz XVZALMUMOOVGFR-UHFFFAOYSA-N -1 3 317.366 2.833 20 0 DFADHM CC[C@@H](Sc1ccccc1)C(=O)Nc1[n-]cnc1C(=O)OC ZINC000566422363 430259412 /nfs/dbraw/zinc/25/94/12/430259412.db2.gz JTDLOVKTMZEBHC-LLVKDONJSA-N -1 3 319.386 2.706 20 0 DFADHM CC[C@@H](Sc1ccccc1)C(=O)Nc1nc[n-]c1C(=O)OC ZINC000566422363 430259416 /nfs/dbraw/zinc/25/94/16/430259416.db2.gz JTDLOVKTMZEBHC-LLVKDONJSA-N -1 3 319.386 2.706 20 0 DFADHM CN(CCC(=O)Nc1ccc([O-])c(Cl)c1)c1ccncc1 ZINC000543745614 430262192 /nfs/dbraw/zinc/26/21/92/430262192.db2.gz HJCZVRRMXYINHF-UHFFFAOYSA-N -1 3 305.765 2.906 20 0 DFADHM O=C(Cc1cncc([O-])c1)N1CC2(CCC2)c2c1cccc2F ZINC000582072601 430265438 /nfs/dbraw/zinc/26/54/38/430265438.db2.gz AOPMASNRLTVDBJ-UHFFFAOYSA-N -1 3 312.344 2.937 20 0 DFADHM Cc1ncc(CNC(=O)c2ccc(C3=CCCC3)cc2)c(=O)[n-]1 ZINC000566533923 430266988 /nfs/dbraw/zinc/26/69/88/430266988.db2.gz HGXVJCKIPNKDJD-UHFFFAOYSA-N -1 3 309.369 2.988 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)c1ccccc1 ZINC000544042546 430269650 /nfs/dbraw/zinc/26/96/50/430269650.db2.gz NFLYFZLGYCEUMM-SNVBAGLBSA-N -1 3 301.346 2.637 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)c1ccccc1 ZINC000544042546 430269653 /nfs/dbraw/zinc/26/96/53/430269653.db2.gz NFLYFZLGYCEUMM-SNVBAGLBSA-N -1 3 301.346 2.637 20 0 DFADHM Cc1cc(C)n(CCN(CC(=O)[O-])Cc2ccc(Cl)cc2)n1 ZINC000582186770 430276123 /nfs/dbraw/zinc/27/61/23/430276123.db2.gz PZJXWVFSYNGSAF-UHFFFAOYSA-N -1 3 321.808 2.740 20 0 DFADHM C[C@H](CC1CCCCC1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000581710002 430233835 /nfs/dbraw/zinc/23/38/35/430233835.db2.gz LPBOFSPOZSKSSZ-CYBMUJFWSA-N -1 3 318.417 2.597 20 0 DFADHM Cc1ccccc1-c1noc([C@@H](C)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000566075162 430239308 /nfs/dbraw/zinc/23/93/08/430239308.db2.gz WYVDSJSXYVIIDI-SJKOYZFVSA-N -1 3 315.373 2.903 20 0 DFADHM Cc1cc(CN)oc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000638319736 430304512 /nfs/dbraw/zinc/30/45/12/430304512.db2.gz ZKIARXKZZATYAQ-JTQLQIEISA-N -1 3 300.358 2.906 20 0 DFADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)[C@H]1C[C@]12CCOC2 ZINC000582521928 430306838 /nfs/dbraw/zinc/30/68/38/430306838.db2.gz FOQROSHHHKJSNV-DIFFPNOSSA-N -1 3 324.340 2.583 20 0 DFADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)[C@H]1C[C@]12CCOC2 ZINC000582521928 430306844 /nfs/dbraw/zinc/30/68/44/430306844.db2.gz FOQROSHHHKJSNV-DIFFPNOSSA-N -1 3 324.340 2.583 20 0 DFADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H]1C[C@]12CCOC2 ZINC000582521928 430306849 /nfs/dbraw/zinc/30/68/49/430306849.db2.gz FOQROSHHHKJSNV-DIFFPNOSSA-N -1 3 324.340 2.583 20 0 DFADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(F)c[n-]c1=O)CCC2 ZINC000635566271 430307603 /nfs/dbraw/zinc/30/76/03/430307603.db2.gz WGLHJMAICUNQSB-LBPRGKRZSA-N -1 3 321.377 2.841 20 0 DFADHM CCOc1ccc(CN2CCC[C@H](CC(=O)[O-])C2)cc1OC ZINC000568367396 430350644 /nfs/dbraw/zinc/35/06/44/430350644.db2.gz IHSCLMTXQSEEAN-CYBMUJFWSA-N -1 3 307.390 2.781 20 0 DFADHM O=C([O-])COCCN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000568098462 430316356 /nfs/dbraw/zinc/31/63/56/430316356.db2.gz FULNIRMAAKTQAU-SFHVURJKSA-N -1 3 311.381 2.735 20 0 DFADHM O=c1nc(Cc2ccncn2)[n-]c2sc3c(c21)CCCS3 ZINC000545338603 430316545 /nfs/dbraw/zinc/31/65/45/430316545.db2.gz SJTULXUVARWRST-UHFFFAOYSA-N -1 3 316.411 2.816 20 0 DFADHM C[C@@H](c1cccc(F)c1)N1CCN(Cc2ncccc2[O-])CC1 ZINC000568165882 430322786 /nfs/dbraw/zinc/32/27/86/430322786.db2.gz ZTDRQXKMRGTJTH-AWEZNQCLSA-N -1 3 315.392 2.805 20 0 DFADHM Cc1nc(C)c(Cc2nc(CC3CCCCC3)no2)c(=O)[n-]1 ZINC000545669372 430323736 /nfs/dbraw/zinc/32/37/36/430323736.db2.gz PJBSDFNBKPXSGW-UHFFFAOYSA-N -1 3 302.378 2.896 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)n1 ZINC000582707399 430324853 /nfs/dbraw/zinc/32/48/53/430324853.db2.gz FPHGYEAAFAQUKM-GBJTYRQASA-N -1 3 305.422 2.567 20 0 DFADHM CCCc1nc(=NC(=O)C(C)(C)[C@@H](N)c2ccccc2)s[n-]1 ZINC000582723271 430327563 /nfs/dbraw/zinc/32/75/63/430327563.db2.gz CQJUDCKSLHUWSC-ZDUSSCGKSA-N -1 3 318.446 2.577 20 0 DFADHM C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1c([O-])cccc1Cl ZINC000568213699 430333481 /nfs/dbraw/zinc/33/34/81/430333481.db2.gz GDDLTHAEOLKIHC-SECBINFHSA-N -1 3 310.781 2.679 20 0 DFADHM Cc1nn(-c2ccccc2)cc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000568220903 430335258 /nfs/dbraw/zinc/33/52/58/430335258.db2.gz CRTVBWKXPAAQOC-OAHLLOKOSA-N -1 3 313.401 2.867 20 0 DFADHM C[C@H]1CCN(C(=O)c2cn3cccnc3n2)c2c([O-])cccc21 ZINC000545953918 430336758 /nfs/dbraw/zinc/33/67/58/430336758.db2.gz QHZZRYCKNGXAJV-NSHDSACASA-N -1 3 308.341 2.589 20 0 DFADHM CC(=O)c1cccc(NC(=O)CSC[C@@H]2CCCCO2)c1[O-] ZINC000568274182 430341513 /nfs/dbraw/zinc/34/15/13/430341513.db2.gz WVLHWGGRSASGBN-LBPRGKRZSA-N -1 3 323.414 2.836 20 0 DFADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@](C)(O)C(=O)[O-] ZINC000582850677 430341955 /nfs/dbraw/zinc/34/19/55/430341955.db2.gz BPQRAXITLPNTIX-ISVAXAHUSA-N -1 3 306.189 2.822 20 0 DFADHM CCNc1cccc(-c2cn([C@H](C)c3nc(C)cc(=O)[n-]3)nn2)c1 ZINC000641145617 430342301 /nfs/dbraw/zinc/34/23/01/430342301.db2.gz LIMZSJJYDSUABM-GFCCVEGCSA-N -1 3 324.388 2.790 20 0 DFADHM Cn1ccnc1[C@H]([N-]c1noc(C(C)(C)C)n1)c1ccccc1 ZINC000546038758 430344542 /nfs/dbraw/zinc/34/45/42/430344542.db2.gz MNTFDPBJFNBDPP-CYBMUJFWSA-N -1 3 311.389 3.302 20 0 DFADHM CCN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@@H](C)C(C)C ZINC000568291143 430345734 /nfs/dbraw/zinc/34/57/34/430345734.db2.gz AHYCGOBJQHXCHP-LBPRGKRZSA-N -1 3 312.435 2.565 20 0 DFADHM O=C(NCC1(C(F)(F)F)CC1)c1c[n-]nc1-c1ccccn1 ZINC000568338773 430347689 /nfs/dbraw/zinc/34/76/89/430347689.db2.gz ZPGZNKRMSIUCKO-UHFFFAOYSA-N -1 3 310.279 2.544 20 0 DFADHM CCn1cc(CC(=O)Nc2cc(Br)ccc2[O-])cn1 ZINC000547722407 430414385 /nfs/dbraw/zinc/41/43/85/430414385.db2.gz KDWDXUHHENCQPG-UHFFFAOYSA-N -1 3 324.178 2.552 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@H](C)CSc1ccccc1 ZINC000583032562 430357541 /nfs/dbraw/zinc/35/75/41/430357541.db2.gz OAEIBVHPMYNQDY-SNVBAGLBSA-N -1 3 319.386 2.563 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@H](C)CSc1ccccc1 ZINC000583032562 430357547 /nfs/dbraw/zinc/35/75/47/430357547.db2.gz OAEIBVHPMYNQDY-SNVBAGLBSA-N -1 3 319.386 2.563 20 0 DFADHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccoc1C(=O)[O-] ZINC000583030178 430357793 /nfs/dbraw/zinc/35/77/93/430357793.db2.gz KEIVSHAUUKMORT-ABAIWWIYSA-N -1 3 301.342 2.802 20 0 DFADHM COc1cc(C(=O)N[C@H](C)Cc2ccsc2)cc(OC)c1[O-] ZINC000546584566 430358063 /nfs/dbraw/zinc/35/80/63/430358063.db2.gz RCGFPTMEBHDAGT-SNVBAGLBSA-N -1 3 321.398 2.832 20 0 DFADHM O=C([O-])C[C@H]1CCCN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000583029717 430358512 /nfs/dbraw/zinc/35/85/12/430358512.db2.gz BPTSBMTXARIXJA-CYBMUJFWSA-N -1 3 304.321 2.920 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000546659891 430363309 /nfs/dbraw/zinc/36/33/09/430363309.db2.gz KKEHHYBHFKVMMC-FUHWJXTLSA-N -1 3 303.402 2.890 20 0 DFADHM Cc1c2ccccc2nc(CN(C)C[C@@H]2CCOC2)c1C(=O)[O-] ZINC000568522103 430366552 /nfs/dbraw/zinc/36/65/52/430366552.db2.gz QDTBKDVHKLIEJS-ZDUSSCGKSA-N -1 3 314.385 2.710 20 0 DFADHM Cc1cc(F)ccc1CN1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000568522564 430366681 /nfs/dbraw/zinc/36/66/81/430366681.db2.gz YHAYLMSORJFKFU-UHFFFAOYSA-N -1 3 317.364 2.866 20 0 DFADHM CCc1cccc(C(=O)N2CCN[C@@H](c3ccccc3)C2)c1[O-] ZINC000583128112 430367244 /nfs/dbraw/zinc/36/72/44/430367244.db2.gz VAEKPWJDLQERHN-QGZVFWFLSA-N -1 3 310.397 2.741 20 0 DFADHM CCc1ccc([C@H]2CCCN2C(=O)Cc2cncc([O-])c2)o1 ZINC000568531401 430370015 /nfs/dbraw/zinc/37/00/15/430370015.db2.gz CJVXVAPXNSJETO-OAHLLOKOSA-N -1 3 300.358 2.849 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCCN(c2cc(C)nc3ccccc32)C1 ZINC000568633168 430378066 /nfs/dbraw/zinc/37/80/66/430378066.db2.gz FAAVVWDFURPFIE-GOSISDBHSA-N -1 3 314.385 2.861 20 0 DFADHM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCc1ncccc1[O-] ZINC000568841972 430397709 /nfs/dbraw/zinc/39/77/09/430397709.db2.gz XPKVAVOMDBJUQA-OAHLLOKOSA-N -1 3 312.369 2.693 20 0 DFADHM CCC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000547651466 430408971 /nfs/dbraw/zinc/40/89/71/430408971.db2.gz FHLJJXORUHFWMA-XJKSGUPXSA-N -1 3 318.417 2.597 20 0 DFADHM COc1cc(C2(c3nc(-c4cc(=O)[n-]cn4)no3)CC2)ccc1C ZINC000569241431 430434768 /nfs/dbraw/zinc/43/47/68/430434768.db2.gz SRDUCLHDCWGRLB-UHFFFAOYSA-N -1 3 324.340 2.629 20 0 DFADHM O=C(NCCOC1CCCCC1)c1c[n-]nc1-c1ccccn1 ZINC000569277243 430439566 /nfs/dbraw/zinc/43/95/66/430439566.db2.gz PYLQZDKIAIOILR-UHFFFAOYSA-N -1 3 314.389 2.551 20 0 DFADHM COc1ccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)cc1 ZINC000585133764 430481015 /nfs/dbraw/zinc/48/10/15/430481015.db2.gz UGRWWQWFBSCHTJ-UHFFFAOYSA-N -1 3 310.313 2.785 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)C(F)F ZINC000641702487 430445623 /nfs/dbraw/zinc/44/56/23/430445623.db2.gz RCQIYIFOFLOAOC-ZCFIWIBFSA-N -1 3 303.252 2.637 20 0 DFADHM Cc1ccnc([C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000636044223 430446283 /nfs/dbraw/zinc/44/62/83/430446283.db2.gz KDIVAVZRFGLBOS-GFCCVEGCSA-N -1 3 317.364 2.830 20 0 DFADHM O=C(Cc1cncc([O-])c1)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000569707659 430481082 /nfs/dbraw/zinc/48/10/82/430481082.db2.gz IQCJOXXERHBSKG-HOCLYGCPSA-N -1 3 314.360 2.921 20 0 DFADHM CCOc1ccccc1CN(C)[C@@H](C(=O)[O-])C1(OC)CCC1 ZINC000583999681 430450266 /nfs/dbraw/zinc/45/02/66/430450266.db2.gz UJHLBJNDSBMHJH-HNNXBMFYSA-N -1 3 307.390 2.539 20 0 DFADHM Cn1cncc1CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000548191024 430457274 /nfs/dbraw/zinc/45/72/74/430457274.db2.gz GZMCBKDIOCHCHD-UHFFFAOYSA-N -1 3 321.380 2.898 20 0 DFADHM O=C(Nc1cc2c(cn1)CCCC2)c1cc(C(F)(F)F)n[n-]1 ZINC000584149553 430462664 /nfs/dbraw/zinc/46/26/64/430462664.db2.gz FYAQFHXAAAYBEQ-UHFFFAOYSA-N -1 3 310.279 2.955 20 0 DFADHM O=C(Nc1cc2c(cn1)CCCC2)c1cc(C(F)(F)F)[n-]n1 ZINC000584149553 430462667 /nfs/dbraw/zinc/46/26/67/430462667.db2.gz FYAQFHXAAAYBEQ-UHFFFAOYSA-N -1 3 310.279 2.955 20 0 DFADHM Cc1cc2ccc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)cn2c1 ZINC000636110422 430463946 /nfs/dbraw/zinc/46/39/46/430463946.db2.gz LBJQAFOANXYCRD-UHFFFAOYSA-N -1 3 324.384 2.717 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000636109429 430464283 /nfs/dbraw/zinc/46/42/83/430464283.db2.gz BVEFXYGDZKQEEZ-PJXYFTJBSA-N -1 3 305.422 2.914 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cccn2C(C)C)n1 ZINC000636110351 430464460 /nfs/dbraw/zinc/46/44/60/430464460.db2.gz KLUKXXOQNVGWCW-UHFFFAOYSA-N -1 3 302.378 2.538 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc[nH]c2C(C)C)n1 ZINC000636111784 430465160 /nfs/dbraw/zinc/46/51/60/430465160.db2.gz VQQIYTMIHLAUIT-UHFFFAOYSA-N -1 3 302.378 2.607 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(C(C)C)nc2)n1 ZINC000636111179 430466302 /nfs/dbraw/zinc/46/63/02/430466302.db2.gz PRLMAYLTJSWLHD-UHFFFAOYSA-N -1 3 314.389 2.674 20 0 DFADHM CC(C)CN(CCC(=O)[O-])Cc1csc(N(C)C2CC2)n1 ZINC000584237355 430473365 /nfs/dbraw/zinc/47/33/65/430473365.db2.gz VUNZWMJWFYIMSH-UHFFFAOYSA-N -1 3 311.451 2.674 20 0 DFADHM CC(C)N(C(=O)[C@@H](C)N1CCC[C@H](CC(=O)[O-])CC1)C(C)C ZINC000641796256 430476420 /nfs/dbraw/zinc/47/64/20/430476420.db2.gz TZYVVGDWPJOGGR-CABCVRRESA-N -1 3 312.454 2.597 20 0 DFADHM CN(CCC(C)(C)CC(=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000569700499 430478617 /nfs/dbraw/zinc/47/86/17/430478617.db2.gz AEANWVGGSFUJJN-CYBMUJFWSA-N -1 3 307.390 2.649 20 0 DFADHM Cc1nc(S(=O)(=O)CCC2CC2)[n-]c1Cc1ccccc1 ZINC000547823067 430424975 /nfs/dbraw/zinc/42/49/75/430424975.db2.gz QNLOFOWLTHLLLZ-UHFFFAOYSA-N -1 3 304.415 2.883 20 0 DFADHM Cc1[n-]c(S(=O)(=O)CCC2CC2)nc1Cc1ccccc1 ZINC000547823067 430424979 /nfs/dbraw/zinc/42/49/79/430424979.db2.gz QNLOFOWLTHLLLZ-UHFFFAOYSA-N -1 3 304.415 2.883 20 0 DFADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Cc1cncc([O-])c1 ZINC000583763034 430427580 /nfs/dbraw/zinc/42/75/80/430427580.db2.gz NKVCOEXIOHRGBF-SWLSCSKDSA-N -1 3 314.360 2.873 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N(C)Cc3cccc(O)c3)c[n-]c12 ZINC000548508680 430482398 /nfs/dbraw/zinc/48/23/98/430482398.db2.gz IRRLYHCWBYHJAO-UHFFFAOYSA-N -1 3 322.364 2.814 20 0 DFADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(C(F)(F)F)cn1 ZINC000569845947 430491471 /nfs/dbraw/zinc/49/14/71/430491471.db2.gz VLHALMOYYNMPSN-VHSXEESVSA-N -1 3 302.296 2.786 20 0 DFADHM CCNC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000641951989 430491935 /nfs/dbraw/zinc/49/19/35/430491935.db2.gz UMMDUEGDXRTSQV-UHFFFAOYSA-N -1 3 324.340 2.672 20 0 DFADHM CCNC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000641951989 430491938 /nfs/dbraw/zinc/49/19/38/430491938.db2.gz UMMDUEGDXRTSQV-UHFFFAOYSA-N -1 3 324.340 2.672 20 0 DFADHM CO[C@H]1CCOc2c(NC(=O)c3cccc4nn[n-]c43)cccc21 ZINC000548727744 430496710 /nfs/dbraw/zinc/49/67/10/430496710.db2.gz CNNRETKOMYHACG-AWEZNQCLSA-N -1 3 324.340 2.680 20 0 DFADHM CO[C@H]1CCOc2c(NC(=O)c3cccc4[n-]nnc43)cccc21 ZINC000548727744 430496715 /nfs/dbraw/zinc/49/67/15/430496715.db2.gz CNNRETKOMYHACG-AWEZNQCLSA-N -1 3 324.340 2.680 20 0 DFADHM CO[C@H]1CCOc2c(NC(=O)c3cccc4n[n-]nc43)cccc21 ZINC000548727744 430496718 /nfs/dbraw/zinc/49/67/18/430496718.db2.gz CNNRETKOMYHACG-AWEZNQCLSA-N -1 3 324.340 2.680 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H](c1ccccc1)C(C)C)C2 ZINC000636283852 430501849 /nfs/dbraw/zinc/50/18/49/430501849.db2.gz JMBLMDPOMZLLQK-MRXNPFEDSA-N -1 3 311.385 2.773 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000636282406 430502131 /nfs/dbraw/zinc/50/21/31/430502131.db2.gz NGJBZJADMJVVDQ-UHFFFAOYSA-N -1 3 317.776 2.619 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C[C@@H]1CCc3ccccc3C1)C2 ZINC000636284044 430503148 /nfs/dbraw/zinc/50/31/48/430503148.db2.gz HCVWFDWQPNKXBF-CYBMUJFWSA-N -1 3 323.396 2.528 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1[C@@H](c3ccccc3)C1(C)C)C2 ZINC000636288692 430503682 /nfs/dbraw/zinc/50/36/82/430503682.db2.gz LUBBQBGDZFJYGP-CVEARBPZSA-N -1 3 323.396 2.773 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C(C)(F)F)cc1)C2 ZINC000636286658 430504689 /nfs/dbraw/zinc/50/46/89/430504689.db2.gz NYTFKAYAQMZZPG-UHFFFAOYSA-N -1 3 319.311 2.758 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@]1(c3ccccc3)CC1(C)C)C2 ZINC000636293869 430506643 /nfs/dbraw/zinc/50/66/43/430506643.db2.gz GSKLTEMPMSMXID-IBGZPJMESA-N -1 3 323.396 2.701 20 0 DFADHM O=C(NCCCc1cccs1)c1cc(F)cc2nn[n-]c21 ZINC000548871780 430506662 /nfs/dbraw/zinc/50/66/62/430506662.db2.gz QUCFPKQYZPNOCG-UHFFFAOYSA-N -1 3 304.350 2.521 20 0 DFADHM O=C(NCCCc1cccs1)c1cc(F)cc2[n-]nnc21 ZINC000548871780 430506666 /nfs/dbraw/zinc/50/66/66/430506666.db2.gz QUCFPKQYZPNOCG-UHFFFAOYSA-N -1 3 304.350 2.521 20 0 DFADHM O=C(NCCCc1cccs1)c1cc(F)cc2n[n-]nc21 ZINC000548871780 430506672 /nfs/dbraw/zinc/50/66/72/430506672.db2.gz QUCFPKQYZPNOCG-UHFFFAOYSA-N -1 3 304.350 2.521 20 0 DFADHM CCCC[C@H](C)C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000548872676 430506793 /nfs/dbraw/zinc/50/67/93/430506793.db2.gz NNVOALQEAHGAHU-APPDUMDISA-N -1 3 317.389 2.506 20 0 DFADHM Cc1csc([C@H]2CCCN2C(=O)c2cc(F)c[n-]c2=O)n1 ZINC000636314820 430510793 /nfs/dbraw/zinc/51/07/93/430510793.db2.gz NGVMWBJDIWNYES-LLVKDONJSA-N -1 3 307.350 2.669 20 0 DFADHM Cc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)s1 ZINC000636317252 430511087 /nfs/dbraw/zinc/51/10/87/430511087.db2.gz DIEDNRNCHGFQOS-UHFFFAOYSA-N -1 3 303.387 2.750 20 0 DFADHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)oc1C ZINC000636320082 430512048 /nfs/dbraw/zinc/51/20/48/430512048.db2.gz DDPRPNNHBGNKSB-UHFFFAOYSA-N -1 3 301.346 2.590 20 0 DFADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(F)cc(F)c1 ZINC000636317949 430512195 /nfs/dbraw/zinc/51/21/95/430512195.db2.gz NCCUUIMIXSUGAM-UHFFFAOYSA-N -1 3 319.311 2.658 20 0 DFADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc2ccccn2c1 ZINC000636319560 430512865 /nfs/dbraw/zinc/51/28/65/430512865.db2.gz RWQPISRVHHZONQ-UHFFFAOYSA-N -1 3 322.368 2.632 20 0 DFADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc2[nH]ccc2c1 ZINC000636318978 430513125 /nfs/dbraw/zinc/51/31/25/430513125.db2.gz HUVIYJAZMRVKFG-UHFFFAOYSA-N 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/nfs/dbraw/zinc/52/26/28/430522628.db2.gz GHOPHMUGCCXARN-QMMMGPOBSA-N -1 3 310.404 2.715 20 0 DFADHM CSc1cccnc1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000636360318 430523622 /nfs/dbraw/zinc/52/36/22/430523622.db2.gz URNICORFLHPAON-QMMMGPOBSA-N -1 3 322.415 2.759 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCCn2nccc21 ZINC000636375466 430528956 /nfs/dbraw/zinc/52/89/56/430528956.db2.gz XNANMZULSZAHLS-CQSZACIVSA-N -1 3 317.364 2.702 20 0 DFADHM COc1cc2c(cc1OC)[C@@H](NCc1ncccc1[O-])CC2 ZINC000639118108 430531954 /nfs/dbraw/zinc/53/19/54/430531954.db2.gz AFLIVJZXTLPTIW-ZDUSSCGKSA-N -1 3 300.358 2.582 20 0 DFADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc2occc2s1 ZINC000605456347 430552315 /nfs/dbraw/zinc/55/23/15/430552315.db2.gz GPGMUAUEVGYRDK-UHFFFAOYSA-N -1 3 324.365 3.386 20 0 DFADHM Cc1ccccc1CS(=O)(=O)[N-]c1cnc(CC2CC2)nc1 ZINC000551402651 430554889 /nfs/dbraw/zinc/55/48/89/430554889.db2.gz ACPOOAZKSDBFFI-UHFFFAOYSA-N -1 3 317.414 2.679 20 0 DFADHM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C(C)C)cc1OC 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CSc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])ccn1 ZINC000552287218 430592452 /nfs/dbraw/zinc/59/24/52/430592452.db2.gz LRYOTDLOJWLBJL-UHFFFAOYSA-N -1 3 302.355 2.964 20 0 DFADHM COc1ccc([O-])c(C(=O)NCCc2nc3ccccc3o2)c1 ZINC000552422991 430597308 /nfs/dbraw/zinc/59/73/08/430597308.db2.gz MGYHOPRSMOOMHB-UHFFFAOYSA-N -1 3 312.325 2.515 20 0 DFADHM CN(C(=O)CNC(=O)c1ccc([O-])cc1)C1CCC(C)(C)CC1 ZINC000571028921 430597453 /nfs/dbraw/zinc/59/74/53/430597453.db2.gz LTIYGJWEUIFCQZ-UHFFFAOYSA-N -1 3 318.417 2.549 20 0 DFADHM CCc1cc(C(=O)N(C)Cc2ccc(OC)nc2)ccc1[O-] ZINC000644042525 430652138 /nfs/dbraw/zinc/65/21/38/430652138.db2.gz NKLHCIFJUXDMMK-UHFFFAOYSA-N -1 3 300.358 2.630 20 0 DFADHM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ncccc1[O-] ZINC000554854543 430654624 /nfs/dbraw/zinc/65/46/24/430654624.db2.gz RCGRMTNUBBLEDP-ZDUSSCGKSA-N -1 3 309.373 2.561 20 0 DFADHM CN(Cc1ncccc1[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000571840800 430656847 /nfs/dbraw/zinc/65/68/47/430656847.db2.gz NTNFUNGJICMXLP-QGZVFWFLSA-N -1 3 311.429 2.884 20 0 DFADHM CN(Cc1ncccc1[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000571840800 430656849 /nfs/dbraw/zinc/65/68/49/430656849.db2.gz NTNFUNGJICMXLP-QGZVFWFLSA-N -1 3 311.429 2.884 20 0 DFADHM CCc1cc(C[N-]S(=O)(=O)c2ccc(C3CC3)cc2)on1 ZINC000571869530 430658298 /nfs/dbraw/zinc/65/82/98/430658298.db2.gz ODULEROYXQUERA-UHFFFAOYSA-N -1 3 306.387 2.593 20 0 DFADHM CCc1cc(C(=O)NC[C@H](c2ccnn2C)C(C)C)ccc1[O-] ZINC000644078750 430659080 /nfs/dbraw/zinc/65/90/80/430659080.db2.gz NEMRVZSFYGINHW-HNNXBMFYSA-N -1 3 315.417 2.858 20 0 DFADHM C[C@H](CN=c1[n-]c(C2CCC2)no1)N1CCc2ccccc2C1 ZINC000571134716 430604487 /nfs/dbraw/zinc/60/44/87/430604487.db2.gz KJGLYVVLJJKSFV-CYBMUJFWSA-N -1 3 312.417 2.618 20 0 DFADHM CC(C)n1ccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000621988761 430607296 /nfs/dbraw/zinc/60/72/96/430607296.db2.gz LWMKFVSCPOYHST-UHFFFAOYSA-N -1 3 313.279 3.441 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H]1c1ccccc1 ZINC000553157858 430609102 /nfs/dbraw/zinc/60/91/02/430609102.db2.gz BJMJWZPWUDIKEQ-BZNIZROVSA-N -1 3 309.369 2.893 20 0 DFADHM CC(C)[C@H](CNC(=O)Cc1cncc([O-])c1)Cc1ccccc1 ZINC000553222799 430611954 /nfs/dbraw/zinc/61/19/54/430611954.db2.gz JJKSUSKCRLAGQR-KRWDZBQOSA-N -1 3 312.413 2.961 20 0 DFADHM O=C([O-])c1cnc2ccccc2c1NC[C@H]1CC12CCOCC2 ZINC000571287839 430617927 /nfs/dbraw/zinc/61/79/27/430617927.db2.gz JXFRGZWIYQPZHC-GFCCVEGCSA-N -1 3 312.369 2.584 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC3(F)CCC3)nc2)n1 ZINC000571476747 430630749 /nfs/dbraw/zinc/63/07/49/430630749.db2.gz NICHMLQBELARAP-UHFFFAOYSA-N -1 3 316.380 3.501 20 0 DFADHM C[C@H]1CC[C@H](CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)O1 ZINC000571570795 430637962 /nfs/dbraw/zinc/63/79/62/430637962.db2.gz JFXPBEHMNCYLSX-WCQYABFASA-N -1 3 313.344 2.809 20 0 DFADHM CC1(C)CN(C(=O)c2cccc3[n-]nnc32)[C@H]1c1ccncc1 ZINC000554484032 430638188 /nfs/dbraw/zinc/63/81/88/430638188.db2.gz PRWBNUJSIBQIPO-HNNXBMFYSA-N -1 3 307.357 2.576 20 0 DFADHM CC1(C)CN(C(=O)c2cccc3nn[n-]c32)[C@H]1c1ccncc1 ZINC000554484032 430638193 /nfs/dbraw/zinc/63/81/93/430638193.db2.gz PRWBNUJSIBQIPO-HNNXBMFYSA-N -1 3 307.357 2.576 20 0 DFADHM CC1(C)CN(C(=O)c2cccc3n[n-]nc32)[C@H]1c1ccncc1 ZINC000554484032 430638196 /nfs/dbraw/zinc/63/81/96/430638196.db2.gz PRWBNUJSIBQIPO-HNNXBMFYSA-N -1 3 307.357 2.576 20 0 DFADHM CC(F)(F)c1ccc(CNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000554533641 430641445 /nfs/dbraw/zinc/64/14/45/430641445.db2.gz HQBJVLXPJHSGCM-UHFFFAOYSA-N -1 3 316.311 3.000 20 0 DFADHM CC(F)(F)c1ccc(CNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000554533641 430641448 /nfs/dbraw/zinc/64/14/48/430641448.db2.gz HQBJVLXPJHSGCM-UHFFFAOYSA-N -1 3 316.311 3.000 20 0 DFADHM CC(F)(F)c1ccc(CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000554533641 430641451 /nfs/dbraw/zinc/64/14/51/430641451.db2.gz HQBJVLXPJHSGCM-UHFFFAOYSA-N -1 3 316.311 3.000 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2cn3cccnc3n2)c([O-])c1 ZINC000554587846 430644833 /nfs/dbraw/zinc/64/48/33/430644833.db2.gz QIPBFZRMJDDXBS-UHFFFAOYSA-N 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2.566 20 0 DFADHM Cc1ccc(C(=O)NCCc2ccc3c(c2)CCO3)c([O-])c1C ZINC000436549456 297011865 /nfs/dbraw/zinc/01/18/65/297011865.db2.gz FPRBKEKLFPJPKI-UHFFFAOYSA-N -1 3 311.381 2.916 20 0 DFADHM O=C(NC[C@H]1CCC[C@H](O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000436560369 297012498 /nfs/dbraw/zinc/01/24/98/297012498.db2.gz DYGIZZSOFBEHPW-WFASDCNBSA-N -1 3 303.402 2.552 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCOc2cccc(F)c2)cc1[O-] ZINC000436563169 297012797 /nfs/dbraw/zinc/01/27/97/297012797.db2.gz GVSIMFGXSWMUOL-UHFFFAOYSA-N -1 3 317.316 2.543 20 0 DFADHM Cc1ccc(-c2nc(-c3ncccc3-n3cccn3)no2)c([O-])c1 ZINC000436575214 297013582 /nfs/dbraw/zinc/01/35/82/297013582.db2.gz IAZXETNDRSXTNC-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1[O-] ZINC000436574218 297013740 /nfs/dbraw/zinc/01/37/40/297013740.db2.gz JNCHTWHHEGYFIL-SJKOYZFVSA-N -1 3 319.401 2.920 20 0 DFADHM O=C(NCC1(CCO)CCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436586429 297015423 /nfs/dbraw/zinc/01/54/23/297015423.db2.gz 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Cc1cccc(C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000436645770 297020660 /nfs/dbraw/zinc/02/06/60/297020660.db2.gz CSXYFOZLGOKUJL-AMXDTQDGSA-N -1 3 317.410 2.929 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC(c2nccs2)CC1 ZINC000436646502 297020834 /nfs/dbraw/zinc/02/08/34/297020834.db2.gz HYGYCFFKCAJRCF-UHFFFAOYSA-N -1 3 304.371 2.574 20 0 DFADHM CC(=O)c1ccc(C(=O)NCc2sc(C)nc2C)cc1[O-] ZINC000436647783 297021057 /nfs/dbraw/zinc/02/10/57/297021057.db2.gz LHZMAPAHKRMMBK-UHFFFAOYSA-N -1 3 304.371 2.598 20 0 DFADHM CCOc1cc(NC(=O)c2c([O-])cccc2O)ccc1OC ZINC000436649613 297021639 /nfs/dbraw/zinc/02/16/39/297021639.db2.gz VYRJWHSJYPGTGP-UHFFFAOYSA-N -1 3 303.314 2.757 20 0 DFADHM CCOC(=O)c1cnc(C)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436652101 297022095 /nfs/dbraw/zinc/02/20/95/297022095.db2.gz JXLKZSDXONDAEI-UHFFFAOYSA-N -1 3 314.341 2.833 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cc3c(cc2C)OCO3)c1[O-] ZINC000436659030 297022483 /nfs/dbraw/zinc/02/24/83/297022483.db2.gz NOMSCMPFYHTYNG-UHFFFAOYSA-N -1 3 315.325 2.999 20 0 DFADHM CCc1ccc(C(=O)N2CC(N(C)Cc3ccccc3)C2)c([O-])c1 ZINC000436660052 297022710 /nfs/dbraw/zinc/02/27/10/297022710.db2.gz TZGABHVODAHSPE-UHFFFAOYSA-N -1 3 324.424 2.911 20 0 DFADHM CCOc1ccc([C@@H](COC)NC(=O)c2ccccc2[O-])cc1 ZINC000436705513 297026924 /nfs/dbraw/zinc/02/69/24/297026924.db2.gz OVMBSWQSRCGMIW-MRXNPFEDSA-N -1 3 315.369 2.908 20 0 DFADHM O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc(O)cc1[O-] ZINC000436666319 297022964 /nfs/dbraw/zinc/02/29/64/297022964.db2.gz SJWXFVKESLVSJL-UHFFFAOYSA-N -1 3 314.316 2.691 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H](CCO)C2CCCCC2)cc1[O-] ZINC000436666977 297023018 /nfs/dbraw/zinc/02/30/18/297023018.db2.gz VZHAFVGMDFHTJG-INIZCTEOSA-N -1 3 319.401 2.656 20 0 DFADHM CC[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@H]1CCCO1 ZINC000436672166 297023637 /nfs/dbraw/zinc/02/36/37/297023637.db2.gz DFJYBXRPWABCHI-UONOGXRCSA-N -1 3 319.401 2.793 20 0 DFADHM CN(C)[C@H](CNC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000436671455 297023781 /nfs/dbraw/zinc/02/37/81/297023781.db2.gz JLWXHVJMLORXOM-OAHLLOKOSA-N -1 3 302.349 2.564 20 0 DFADHM CCOC(=O)CN(C(=O)c1ccc([O-])c(CC)c1)C1CCC1 ZINC000436709031 297026945 /nfs/dbraw/zinc/02/69/45/297026945.db2.gz WZHHNOLURNAQOK-UHFFFAOYSA-N -1 3 305.374 2.512 20 0 DFADHM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(CN(C)C)cc2)c1 ZINC000436677287 297024140 /nfs/dbraw/zinc/02/41/40/297024140.db2.gz CLKMMVFUOGZWMR-UHFFFAOYSA-N -1 3 312.369 2.909 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2cnn(CC)c2)c([O-])c1 ZINC000436683881 297024459 /nfs/dbraw/zinc/02/44/59/297024459.db2.gz VXTUBXWUGSVBBL-UHFFFAOYSA-N -1 3 317.389 2.718 20 0 DFADHM COc1cccc(C(=O)NCC2(C(F)(F)F)CCC2)c1[O-] ZINC000436690513 297025010 /nfs/dbraw/zinc/02/50/10/297025010.db2.gz YYBUPDCSTAHUOA-UHFFFAOYSA-N -1 3 303.280 2.863 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCC(C)(C)C2)c([O-])c1 ZINC000436695730 297025610 /nfs/dbraw/zinc/02/56/10/297025610.db2.gz FRRHZAUHJSPEAQ-CYBMUJFWSA-N -1 3 318.417 2.515 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2cc(C)nn2C)c([O-])c1 ZINC000436693243 297025612 /nfs/dbraw/zinc/02/56/12/297025612.db2.gz RSUAOYVPZLWLGH-UHFFFAOYSA-N -1 3 317.389 2.543 20 0 DFADHM Cc1ccc(NC(=O)c2ccnc(NC(=O)C(C)C)c2)c([O-])c1 ZINC000436694471 297025780 /nfs/dbraw/zinc/02/57/80/297025780.db2.gz AVNGENMUGWCVKL-UHFFFAOYSA-N -1 3 313.357 2.942 20 0 DFADHM CC(C)(C)C(=O)N1CCN(C(=O)c2ccccc2[O-])C(C)(C)C1 ZINC000436697241 297025810 /nfs/dbraw/zinc/02/58/10/297025810.db2.gz JCJYQQZCNNIXAL-UHFFFAOYSA-N -1 3 318.417 2.501 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@@H](CO)CC(F)(F)F)c([O-])c1 ZINC000436709054 297026637 /nfs/dbraw/zinc/02/66/37/297026637.db2.gz UPYWDDQTECDTCP-SNVBAGLBSA-N -1 3 305.296 2.559 20 0 DFADHM Cn1c(CNC(=O)c2ccccc2[O-])nc2cc(Cl)ccc21 ZINC000436747698 297031069 /nfs/dbraw/zinc/03/10/69/297031069.db2.gz MQFAFMUMNUHQFB-UHFFFAOYSA-N -1 3 315.760 2.862 20 0 DFADHM CCN1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436749682 297031513 /nfs/dbraw/zinc/03/15/13/297031513.db2.gz BOKSYBHHLQMELS-NSHDSACASA-N -1 3 316.323 2.625 20 0 DFADHM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000436748407 297031567 /nfs/dbraw/zinc/03/15/67/297031567.db2.gz SAMWZNFAQVSXDM-SJCJKPOMSA-N -1 3 315.369 2.907 20 0 DFADHM COc1ccc(OC)c(CNC(=O)c2cccc(C)c2[O-])c1 ZINC000436756447 297031658 /nfs/dbraw/zinc/03/16/58/297031658.db2.gz RBOGFIBUYZYVNI-UHFFFAOYSA-N -1 3 301.342 2.648 20 0 DFADHM COc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)c([O-])c1 ZINC000436756804 297031667 /nfs/dbraw/zinc/03/16/67/297031667.db2.gz QITDZSPIIBDEKJ-UHFFFAOYSA-N -1 3 300.358 2.715 20 0 DFADHM CCC[C@H](CNC(=O)c1ccc([O-])c(CC)c1)C(=O)OCC ZINC000436710428 297027495 /nfs/dbraw/zinc/02/74/95/297027495.db2.gz UDUZVAGASJXVLW-CQSZACIVSA-N -1 3 307.390 2.664 20 0 DFADHM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])N(C)C1CC1 ZINC000436761883 297032224 /nfs/dbraw/zinc/03/22/24/297032224.db2.gz ATNNJTPHYNQDQG-VIFPVBQESA-N -1 3 316.323 2.624 20 0 DFADHM CC(C)[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCN1C ZINC000436727797 297028933 /nfs/dbraw/zinc/02/89/33/297028933.db2.gz CNEJJSGBTSULHX-KRWDZBQOSA-N -1 3 316.445 2.683 20 0 DFADHM C[C@H](C[C@@H]1CCCO1)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436726054 297029083 /nfs/dbraw/zinc/02/90/83/297029083.db2.gz SJDFNRHTMZSBHP-DOMZBBRYSA-N -1 3 303.402 2.958 20 0 DFADHM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cc(C)ccc2[O-])[nH]1 ZINC000436731203 297029448 /nfs/dbraw/zinc/02/94/48/297029448.db2.gz BAJPZPNRRHOSPT-WDEREUQCSA-N -1 3 302.378 2.823 20 0 DFADHM O=C(N[C@@H]1CCCCC[C@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000436735777 297030043 /nfs/dbraw/zinc/03/00/43/297030043.db2.gz FGKXJEJNKATMCD-HZPDHXFCSA-N -1 3 303.402 2.694 20 0 DFADHM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2c([O-])cccc2O)c1 ZINC000436740798 297030574 /nfs/dbraw/zinc/03/05/74/297030574.db2.gz RKPUNUKFQCANQY-UONOGXRCSA-N -1 3 313.353 2.782 20 0 DFADHM COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(C)ccc1[O-] ZINC000436747760 297030846 /nfs/dbraw/zinc/03/08/46/297030846.db2.gz CEWYFNIXNQAQII-SUMWQHHRSA-N -1 3 305.374 2.552 20 0 DFADHM COc1cc(CCNC(=O)c2ccc(O)cc2[O-])ccc1Cl ZINC000436746528 297030923 /nfs/dbraw/zinc/03/09/23/297030923.db2.gz HTUWYXSNYIMFJH-UHFFFAOYSA-N -1 3 321.760 2.732 20 0 DFADHM C[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])N1CCC[C@H](C)C1 ZINC000436763480 297032440 /nfs/dbraw/zinc/03/24/40/297032440.db2.gz GVTFCVVVOIVWPY-RYUDHWBXSA-N -1 3 310.825 2.896 20 0 DFADHM C[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)NC(=O)c1ccccc1 ZINC000436766562 297033014 /nfs/dbraw/zinc/03/30/14/297033014.db2.gz DAPUHGNARVAPMT-LBPRGKRZSA-N -1 3 323.352 2.803 20 0 DFADHM Cc1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2F)c([O-])c1 ZINC000436773669 297033548 /nfs/dbraw/zinc/03/35/48/297033548.db2.gz KFPMNLLLPDKDPS-CYBMUJFWSA-N -1 3 323.751 2.957 20 0 DFADHM CCCCn1cc(CNC(=O)c2cc(OC)ccc2[O-])c(C)n1 ZINC000436789690 297034320 /nfs/dbraw/zinc/03/43/20/297034320.db2.gz CMUWAFMOOJPLHH-UHFFFAOYSA-N -1 3 317.389 2.636 20 0 DFADHM CCc1cnccc1[C@@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC000436792567 297034910 /nfs/dbraw/zinc/03/49/10/297034910.db2.gz NUFXINPZJKAFGT-LLVKDONJSA-N -1 3 300.358 2.849 20 0 DFADHM C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](C)C1 ZINC000436796923 297034918 /nfs/dbraw/zinc/03/49/18/297034918.db2.gz XZEKPMMZLPUFTA-ZOWXZIJZSA-N -1 3 322.836 2.848 20 0 DFADHM CCN(CCN1CCCCCC1)C(=O)c1ccc([O-])cc1F ZINC000436795559 297035010 /nfs/dbraw/zinc/03/50/10/297035010.db2.gz GCFAIPWJJLNKMA-UHFFFAOYSA-N -1 3 308.397 2.869 20 0 DFADHM CCc1ccc(C(=O)NCc2ccc(OC)c(OC)c2)c([O-])c1 ZINC000436805624 297035723 /nfs/dbraw/zinc/03/57/23/297035723.db2.gz YFSTUQGZEIVGON-UHFFFAOYSA-N -1 3 315.369 2.902 20 0 DFADHM CCc1ccc(C(=O)Nc2ccccc2Cn2cncn2)c([O-])c1 ZINC000436815723 297036598 /nfs/dbraw/zinc/03/65/98/297036598.db2.gz XJTPDNROQWYZTL-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)nc(C(F)(F)F)n1 ZINC000436823884 297037479 /nfs/dbraw/zinc/03/74/79/297037479.db2.gz DNOPIAGFDSIUPM-UHFFFAOYSA-N -1 3 315.226 2.901 20 0 DFADHM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1c([O-])cccc1F ZINC000436817086 297036785 /nfs/dbraw/zinc/03/67/85/297036785.db2.gz QQHOXSRZXNYDRS-UHFFFAOYSA-N -1 3 305.353 2.824 20 0 DFADHM CCc1ccc(C(=O)NCc2cn3c(cccc3C)n2)c([O-])c1 ZINC000436823338 297036879 /nfs/dbraw/zinc/03/68/79/297036879.db2.gz UFFSYOGCAIVXDZ-UHFFFAOYSA-N -1 3 309.369 2.841 20 0 DFADHM CC[C@H](C)Oc1cc(CNC(=O)c2c([O-])cccc2O)ccn1 ZINC000436828149 297037951 /nfs/dbraw/zinc/03/79/51/297037951.db2.gz XBDWCVZJBCMMOZ-NSHDSACASA-N -1 3 316.357 2.600 20 0 DFADHM C[C@@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCCN1C ZINC000436830095 297038160 /nfs/dbraw/zinc/03/81/60/297038160.db2.gz UOOJGNJAVGNUHJ-SKDRFNHKSA-N -1 3 316.323 2.624 20 0 DFADHM CN(CC[C@@H]1CCCO1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436837334 297038978 /nfs/dbraw/zinc/03/89/78/297038978.db2.gz FZDDHDBFTUWGOQ-ZDUSSCGKSA-N -1 3 319.401 2.747 20 0 DFADHM C/C=C\C[C@@H](NC(=O)c1ccc(CC)cc1[O-])C(=O)OCC ZINC000436837305 297039079 /nfs/dbraw/zinc/03/90/79/297039079.db2.gz FQUMUXPHKIYSRV-HJHHMULASA-N -1 3 305.374 2.582 20 0 DFADHM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436840406 297039135 /nfs/dbraw/zinc/03/91/35/297039135.db2.gz QOSXLMKUNXKUIS-NWDGAFQWSA-N -1 3 307.390 2.833 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](CO)c2ccc(F)cc2)c([O-])c1 ZINC000436841841 297039409 /nfs/dbraw/zinc/03/94/09/297039409.db2.gz BFKMXEQORYKBQJ-HNNXBMFYSA-N -1 3 303.333 2.557 20 0 DFADHM CC(C)(C)C[C@@H](O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436845467 297039649 /nfs/dbraw/zinc/03/96/49/297039649.db2.gz SOTXGBHZCSQGLZ-CQSZACIVSA-N -1 3 305.418 2.798 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1[O-] ZINC000436847301 297039856 /nfs/dbraw/zinc/03/98/56/297039856.db2.gz PWVIRYVDOVYWIJ-UHFFFAOYSA-N -1 3 324.380 2.557 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCc2cccc(F)c2)cc1[O-] ZINC000436854182 297039940 /nfs/dbraw/zinc/03/99/40/297039940.db2.gz FYVLQCQWFQTLKA-UHFFFAOYSA-N -1 3 301.317 2.706 20 0 DFADHM CCOc1ccccc1CCNC(=O)c1ccc(OC)cc1[O-] ZINC000436853773 297039998 /nfs/dbraw/zinc/03/99/98/297039998.db2.gz SJVCNZCDTRWUCW-UHFFFAOYSA-N -1 3 315.369 2.772 20 0 DFADHM COC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(Cl)c1 ZINC000436861736 297040661 /nfs/dbraw/zinc/04/06/61/297040661.db2.gz FNHLFHWNQCCJLM-CQSZACIVSA-N -1 3 321.760 2.869 20 0 DFADHM CCN(C[C@H](C)O)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436865740 297040888 /nfs/dbraw/zinc/04/08/88/297040888.db2.gz UETNLFWESOVMFH-AWEZNQCLSA-N -1 3 313.397 2.826 20 0 DFADHM CC[C@H](C)Oc1cc(CNC(=O)c2ccccc2[O-])ccn1 ZINC000436863926 297041000 /nfs/dbraw/zinc/04/10/00/297041000.db2.gz KYJQYYPXCTUCBQ-LBPRGKRZSA-N -1 3 300.358 2.895 20 0 DFADHM COC(=O)[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])[C@@H]1C ZINC000436864470 297041032 /nfs/dbraw/zinc/04/10/32/297041032.db2.gz ZHFMAZJWNBAYGH-DGCLKSJQSA-N -1 3 305.374 2.539 20 0 DFADHM CCc1[nH]nc(C(=O)Nc2ccccc2[O-])c1Br ZINC000436902100 297043573 /nfs/dbraw/zinc/04/35/73/297043573.db2.gz SNSSMQCUAMQANY-UHFFFAOYSA-N -1 3 310.151 2.693 20 0 DFADHM CCc1ccc(-c2nc(Cc3cccnc3OC)no2)c([O-])c1 ZINC000436881118 297041500 /nfs/dbraw/zinc/04/15/00/297041500.db2.gz QXYKRKMYNMOQNH-UHFFFAOYSA-N -1 3 311.341 2.999 20 0 DFADHM C[C@H](NC(=O)c1c([O-])cccc1F)[C@@H](c1ccccc1)N(C)C ZINC000436904608 297043613 /nfs/dbraw/zinc/04/36/13/297043613.db2.gz MAKZGYCGWBKZMY-SJCJKPOMSA-N -1 3 316.376 2.953 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(F)c(NC(N)=O)c2)c1[O-] ZINC000436883417 297042242 /nfs/dbraw/zinc/04/22/42/297042242.db2.gz FQRPEDYIEVRGFC-UHFFFAOYSA-N -1 3 303.293 2.583 20 0 DFADHM O=C(Cc1noc(-c2ccccc2[O-])n1)Nc1ccc(F)cc1 ZINC000436889052 297042265 /nfs/dbraw/zinc/04/22/65/297042265.db2.gz AJQAZHMMXVSIBX-UHFFFAOYSA-N -1 3 313.288 2.763 20 0 DFADHM COCC[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(C)o1 ZINC000436892352 297042461 /nfs/dbraw/zinc/04/24/61/297042461.db2.gz JSGUNJVLHLKLOD-ZDUSSCGKSA-N -1 3 305.330 2.507 20 0 DFADHM O=C(c1ccccc1[O-])N1CCc2c(ncn2-c2ccccc2)C1 ZINC000436891678 297042604 /nfs/dbraw/zinc/04/26/04/297042604.db2.gz GSGZATANBXIUAO-UHFFFAOYSA-N -1 3 319.364 2.776 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)[C@H](O)Cc2ccccc2)c([O-])c1C ZINC000436896762 297042876 /nfs/dbraw/zinc/04/28/76/297042876.db2.gz UEMVNMMCZHIXGG-WMLDXEAASA-N -1 3 313.397 2.731 20 0 DFADHM CC1(C)CN(C(=O)c2ccccc2[O-])C[C@](C)(C(F)(F)F)O1 ZINC000436907664 297044013 /nfs/dbraw/zinc/04/40/13/297044013.db2.gz GJRFRHKRECBZAJ-CQSZACIVSA-N -1 3 317.307 2.964 20 0 DFADHM COc1cccc(C(=O)NCCc2cccc(F)c2F)c1[O-] ZINC000436919493 297044857 /nfs/dbraw/zinc/04/48/57/297044857.db2.gz NZULPOSHUFOESK-UHFFFAOYSA-N -1 3 307.296 2.652 20 0 DFADHM O=C(NCCN1CCCCCC1)c1cc(F)cc(Cl)c1[O-] ZINC000436918852 297044906 /nfs/dbraw/zinc/04/49/06/297044906.db2.gz JEFYPZOYOUFIJF-UHFFFAOYSA-N -1 3 314.788 2.791 20 0 DFADHM COCCC1(C)CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436927932 297045573 /nfs/dbraw/zinc/04/55/73/297045573.db2.gz UQQFCDZEIFHZHL-UHFFFAOYSA-N -1 3 319.401 2.604 20 0 DFADHM O=C(NCCc1ccc(F)cc1Cl)c1ccc(O)cc1[O-] ZINC000436931862 297045821 /nfs/dbraw/zinc/04/58/21/297045821.db2.gz LCQJUNBOEPDROD-UHFFFAOYSA-N -1 3 309.724 2.863 20 0 DFADHM Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)ccc1[O-] ZINC000436933362 297045848 /nfs/dbraw/zinc/04/58/48/297045848.db2.gz BUCCICPXNGMXNN-HIFRSBDPSA-N -1 3 318.417 2.514 20 0 DFADHM COc1cccc2c1nc(NC(=O)c1ccc([O-])c(C)c1)n2C ZINC000436932032 297046061 /nfs/dbraw/zinc/04/60/61/297046061.db2.gz MDTPYVRYAUQKNZ-UHFFFAOYSA-N -1 3 311.341 2.848 20 0 DFADHM O=C(N[C@@H]1COc2cccc(Cl)c21)c1c([O-])cccc1O ZINC000436940834 297046584 /nfs/dbraw/zinc/04/65/84/297046584.db2.gz YKBJHBFOLRZFED-SECBINFHSA-N -1 3 305.717 2.615 20 0 DFADHM C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2ccccc2[O-])n1 ZINC000436948231 297047170 /nfs/dbraw/zinc/04/71/70/297047170.db2.gz SOYXCJJICFWHFQ-LBPRGKRZSA-N -1 3 323.352 2.976 20 0 DFADHM COc1cccc(C(=O)Nc2ccc3ccn(C)c(=O)c3c2)c1[O-] ZINC000436965134 297048218 /nfs/dbraw/zinc/04/82/18/297048218.db2.gz NCNGFAOPAWJVPI-UHFFFAOYSA-N -1 3 324.336 2.505 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436967811 297048653 /nfs/dbraw/zinc/04/86/53/297048653.db2.gz ZEXNGMQQEHLXQY-TZMCWYRMSA-N -1 3 320.433 2.761 20 0 DFADHM COc1cc(C(=O)NCC2(C)CCC(OC)CC2)ccc1[O-] ZINC000436987902 297050774 /nfs/dbraw/zinc/05/07/74/297050774.db2.gz JWSFCPXAKHOORE-UHFFFAOYSA-N -1 3 307.390 2.726 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2ccn(C)c2)c([O-])c1 ZINC000436990109 297050876 /nfs/dbraw/zinc/05/08/76/297050876.db2.gz TZAICISTTVBPJM-UHFFFAOYSA-N -1 3 302.374 2.840 20 0 DFADHM O=S(=O)([N-]CCCCCc1ccc(F)cc1)c1ccccn1 ZINC000494274339 299864577 /nfs/dbraw/zinc/86/45/77/299864577.db2.gz PKWDYSMSATWTAS-UHFFFAOYSA-N -1 3 322.405 2.912 20 0 DFADHM COc1cccc(C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000286631994 295283738 /nfs/dbraw/zinc/28/37/38/295283738.db2.gz CVUFSGGNDYWKJW-CHWSQXEVSA-N -1 3 307.390 2.557 20 0 DFADHM C[C@H](CCO)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000154265739 295295731 /nfs/dbraw/zinc/29/57/31/295295731.db2.gz LTQIVWXBVGGJSO-CQSZACIVSA-N -1 3 313.397 2.731 20 0 DFADHM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)cccc1[O-] ZINC000155575176 295321358 /nfs/dbraw/zinc/32/13/58/295321358.db2.gz OFVLYWHLPMTPFX-LLVKDONJSA-N -1 3 308.378 2.942 20 0 DFADHM CCC[C@H](C)[C@H]1CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000155787868 295326128 /nfs/dbraw/zinc/32/61/28/295326128.db2.gz XAJGUDJUYXJWDW-BLLLJJGKSA-N -1 3 319.449 2.747 20 0 DFADHM CCc1ncc(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)cn1 ZINC000155890062 295327248 /nfs/dbraw/zinc/32/72/48/295327248.db2.gz WAHQQZHUTDRJIB-UHFFFAOYSA-N -1 3 324.340 2.554 20 0 DFADHM CCc1ncc(NC(=O)c2cnc3cc(OC)ccc3c2[O-])cn1 ZINC000155890062 295327249 /nfs/dbraw/zinc/32/72/49/295327249.db2.gz WAHQQZHUTDRJIB-UHFFFAOYSA-N -1 3 324.340 2.554 20 0 DFADHM COc1cc([N-]C(=O)c2c(C)onc2-c2ccccc2)ncn1 ZINC000157759098 295353286 /nfs/dbraw/zinc/35/32/86/295353286.db2.gz KWVZGMRWXNTWBB-UHFFFAOYSA-N -1 3 310.313 2.701 20 0 DFADHM COc1cc([N-]C(=O)c2ncoc2-c2ccc(C)cc2)ncn1 ZINC000157941312 295355729 /nfs/dbraw/zinc/35/57/29/295355729.db2.gz JZSCPYYLVSGSSY-UHFFFAOYSA-N -1 3 310.313 2.701 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(Cc2ccccc2)CC1 ZINC000158383556 295362376 /nfs/dbraw/zinc/36/23/76/295362376.db2.gz RXRJBHWEIGCROO-UHFFFAOYSA-N -1 3 320.414 2.593 20 0 DFADHM CC(C)NC(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000162003364 295409468 /nfs/dbraw/zinc/40/94/68/295409468.db2.gz JYDACPLKTYCEKL-UHFFFAOYSA-N -1 3 316.332 2.922 20 0 DFADHM O=C(/C=C/c1ccc(OC(F)F)cc1)[N-]O[C@@H]1CCCCO1 ZINC000162289378 295412190 /nfs/dbraw/zinc/41/21/90/295412190.db2.gz GJZKXHJNBNIYLW-VIIAAUOXSA-N -1 3 313.300 2.876 20 0 DFADHM COc1ccccc1SCC(=O)NCc1ccc([O-])c(F)c1 ZINC000162829325 295417089 /nfs/dbraw/zinc/41/70/89/295417089.db2.gz AOFBDJNVVWEROO-UHFFFAOYSA-N -1 3 321.373 2.948 20 0 DFADHM C[C@H]1CSC[C@@H]1NCc1cccc([O-])c1Br ZINC000397751438 295488440 /nfs/dbraw/zinc/48/84/40/295488440.db2.gz DTEMXFWKYUHUJW-WPRPVWTQSA-N -1 3 302.237 2.996 20 0 DFADHM CCOc1ccccc1OCCN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405367562 295502365 /nfs/dbraw/zinc/50/23/65/295502365.db2.gz VZGVOGAXKNMIGP-CQSZACIVSA-N -1 3 319.401 2.651 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCO[C@H]1c1ccccc1 ZINC000412119310 295591068 /nfs/dbraw/zinc/59/10/68/295591068.db2.gz GJMCDYVPERNNAV-PBHICJAKSA-N -1 3 315.344 2.925 20 0 DFADHM COC1CCC(CNC(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000412178630 295597143 /nfs/dbraw/zinc/59/71/43/295597143.db2.gz NFXVRURVMVSNAO-UHFFFAOYSA-N -1 3 305.374 2.530 20 0 DFADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC(F)(F)C1 ZINC000412247947 295604807 /nfs/dbraw/zinc/60/48/07/295604807.db2.gz SPHODAAWBHKUIZ-UHFFFAOYSA-N -1 3 312.703 2.663 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)cc1[O-] ZINC000412274565 295607740 /nfs/dbraw/zinc/60/77/40/295607740.db2.gz CODSWYMQOQKKRA-LBPRGKRZSA-N -1 3 303.280 2.912 20 0 DFADHM COC1([C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000412773146 295655485 /nfs/dbraw/zinc/65/54/85/295655485.db2.gz YZWCZPWOPWYHTJ-LBPRGKRZSA-N -1 3 309.381 2.928 20 0 DFADHM CCc1ccc2nc([N-]C(=O)c3ccc(C(N)=O)o3)sc2c1 ZINC000438309953 297087522 /nfs/dbraw/zinc/08/75/22/297087522.db2.gz XYFATTUQBJHRQK-UHFFFAOYSA-N -1 3 315.354 2.803 20 0 DFADHM [O-]c1ccc(F)c(CN2CCN(Cc3ccccc3)CC2)c1F ZINC000438849694 297105061 /nfs/dbraw/zinc/10/50/61/297105061.db2.gz KFEFUIJDRRAOEP-UHFFFAOYSA-N -1 3 318.367 2.988 20 0 DFADHM CCOc1ccccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000439015091 297111987 /nfs/dbraw/zinc/11/19/87/297111987.db2.gz NCPJSTIJHDGXRB-UHFFFAOYSA-N -1 3 309.329 2.518 20 0 DFADHM CCOc1ccccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000439015091 297111989 /nfs/dbraw/zinc/11/19/89/297111989.db2.gz NCPJSTIJHDGXRB-UHFFFAOYSA-N -1 3 309.329 2.518 20 0 DFADHM CCOc1ccccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000439015091 297111991 /nfs/dbraw/zinc/11/19/91/297111991.db2.gz NCPJSTIJHDGXRB-UHFFFAOYSA-N -1 3 309.329 2.518 20 0 DFADHM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1ccc(O)cc1[O-] ZINC000439061160 297113249 /nfs/dbraw/zinc/11/32/49/297113249.db2.gz RGYRUAXDMGENBM-UHFFFAOYSA-N -1 3 323.389 2.728 20 0 DFADHM O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1ccc(O)cc1[O-] ZINC000439052256 297113434 /nfs/dbraw/zinc/11/34/34/297113434.db2.gz DQBMDEIOTSQJKM-DYVFJYSZSA-N -1 3 313.353 2.605 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccccc1Cl)c1cncs1 ZINC000439201752 297118514 /nfs/dbraw/zinc/11/85/14/297118514.db2.gz UOCWDLLTKBDTIC-QMMMGPOBSA-N -1 3 302.808 2.836 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@@H]1Cc2ccccc21 ZINC000439220321 297119221 /nfs/dbraw/zinc/11/92/21/297119221.db2.gz DEMKOHJIYWOEPV-CYBMUJFWSA-N -1 3 308.316 2.889 20 0 DFADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000439249358 297119932 /nfs/dbraw/zinc/11/99/32/297119932.db2.gz SEWXIENFBNKONH-UHFFFAOYSA-N -1 3 310.375 2.508 20 0 DFADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C1(C)C ZINC000440388973 297151372 /nfs/dbraw/zinc/15/13/72/297151372.db2.gz HCBOHCFTWMIMFR-QWRGUYRKSA-N -1 3 321.801 2.571 20 0 DFADHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1(C)C ZINC000440417400 297152117 /nfs/dbraw/zinc/15/21/17/297152117.db2.gz QPAPOLPJNZEPKX-VXGBXAGGSA-N -1 3 321.801 2.571 20 0 DFADHM Cc1nc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)sc1C ZINC000440539197 297155759 /nfs/dbraw/zinc/15/57/59/297155759.db2.gz NPDXJHRCQXNGRG-UHFFFAOYSA-N -1 3 313.382 2.531 20 0 DFADHM COc1cccc(C(=O)N(C)Cc2cnc(C(C)C)nc2)c1[O-] ZINC000441427259 297182750 /nfs/dbraw/zinc/18/27/50/297182750.db2.gz XBRJVYQHTFCPLH-UHFFFAOYSA-N -1 3 315.373 2.586 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc2c(n1)CCCC2 ZINC000442483106 297195761 /nfs/dbraw/zinc/19/57/61/297195761.db2.gz WOZSVYKTBYFDIL-UHFFFAOYSA-N -1 3 309.329 2.591 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc2c(n1)CCCC2 ZINC000442483106 297195764 /nfs/dbraw/zinc/19/57/64/297195764.db2.gz WOZSVYKTBYFDIL-UHFFFAOYSA-N -1 3 309.329 2.591 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc2c(n1)CCCC2 ZINC000442483106 297195765 /nfs/dbraw/zinc/19/57/65/297195765.db2.gz WOZSVYKTBYFDIL-UHFFFAOYSA-N -1 3 309.329 2.591 20 0 DFADHM CCc1nc([C@@H](C)NC(=O)c2ccc([O-])c(OC)c2)cs1 ZINC000442646994 297199225 /nfs/dbraw/zinc/19/92/25/297199225.db2.gz ILJWAJUIAXQWEH-SECBINFHSA-N -1 3 306.387 2.911 20 0 DFADHM COCCN(Cc1ccc(C)o1)C(=O)c1ccc([O-])c(OC)c1 ZINC000442673327 297200531 /nfs/dbraw/zinc/20/05/31/297200531.db2.gz UCJKLXPZDSAMEI-UHFFFAOYSA-N -1 3 319.357 2.591 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C1CCCC1 ZINC000442760802 297205180 /nfs/dbraw/zinc/20/51/80/297205180.db2.gz VOXCVMAAKYXDOT-SECBINFHSA-N -1 3 322.352 2.957 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@H]1CCC[C@@H](O)C1 ZINC000442795251 297206560 /nfs/dbraw/zinc/20/65/60/297206560.db2.gz DUWCZUIXQDBNSL-DTWKUNHWSA-N -1 3 319.279 2.780 20 0 DFADHM Cc1cnc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cn1 ZINC000442794903 297206655 /nfs/dbraw/zinc/20/66/55/297206655.db2.gz DGLRJESQXGXUMO-UHFFFAOYSA-N -1 3 313.235 2.642 20 0 DFADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000443346787 297219880 /nfs/dbraw/zinc/21/98/80/297219880.db2.gz WGZVXYPFFXVNQS-MWLCHTKSSA-N -1 3 323.817 2.555 20 0 DFADHM CC1CC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C1 ZINC000444067337 297229600 /nfs/dbraw/zinc/22/96/00/297229600.db2.gz BAQPXEQFSZLNOC-UHFFFAOYSA-N -1 3 311.300 2.921 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)o1 ZINC000444192747 297232181 /nfs/dbraw/zinc/23/21/81/297232181.db2.gz QLEJIYKPTPMQBQ-UHFFFAOYSA-N -1 3 308.403 2.759 20 0 DFADHM Cc1cc2cc[nH]c2cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000444444513 297236834 /nfs/dbraw/zinc/23/68/34/297236834.db2.gz FGNLJBIYJCIRQB-UHFFFAOYSA-N -1 3 321.340 2.716 20 0 DFADHM CC1(C)CCCN(CCNC(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000444612483 297241613 /nfs/dbraw/zinc/24/16/13/297241613.db2.gz SUPZWDMJENMMIP-UHFFFAOYSA-N -1 3 312.360 2.522 20 0 DFADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccccc1F)OC ZINC000446929029 297290465 /nfs/dbraw/zinc/29/04/65/297290465.db2.gz OPSHPNMVTZGXEB-CQSZACIVSA-N -1 3 317.426 2.945 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCc3ccccc3C2=O)c1 ZINC000446956828 297291354 /nfs/dbraw/zinc/29/13/54/297291354.db2.gz KKSGWBNMSJFCON-INIZCTEOSA-N -1 3 309.365 2.882 20 0 DFADHM COc1cccc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c1[O-] ZINC000447076043 297294645 /nfs/dbraw/zinc/29/46/45/297294645.db2.gz GEKGEZVWOQYJOW-UHFFFAOYSA-N -1 3 317.389 2.694 20 0 DFADHM Cc1ccc([C@@]2(C)CCN(C(=O)c3cc(C)nc(=O)[n-]3)C2)cc1 ZINC000447694106 297313543 /nfs/dbraw/zinc/31/35/43/297313543.db2.gz GOJMNVBNCDKDAH-SFHVURJKSA-N -1 3 311.385 2.603 20 0 DFADHM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1[O-] ZINC000447775818 297316025 /nfs/dbraw/zinc/31/60/25/297316025.db2.gz JTYFGWAIWMGETE-UONOGXRCSA-N -1 3 301.317 2.826 20 0 DFADHM Cc1cc(C(=O)N2CCOc3c(F)cccc3C2)ccc1[O-] ZINC000447864484 297322041 /nfs/dbraw/zinc/32/20/41/297322041.db2.gz RECBKVDIBYGZDQ-UHFFFAOYSA-N -1 3 301.317 2.875 20 0 DFADHM Cc1cccc(OC[C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448772838 297366241 /nfs/dbraw/zinc/36/62/41/297366241.db2.gz UXPICVVENPAGEH-CYBMUJFWSA-N -1 3 317.360 2.966 20 0 DFADHM COc1ccc2c(c1)CN(C(=O)Cc1ccc([O-])c(F)c1)CC2 ZINC000448793228 297369101 /nfs/dbraw/zinc/36/91/01/297369101.db2.gz GDCNFWPMPIOPIS-UHFFFAOYSA-N -1 3 315.344 2.667 20 0 DFADHM C/C=C\COc1cccc(CC(=O)Nc2nnc(SC)[n-]2)c1 ZINC000448830294 297373551 /nfs/dbraw/zinc/37/35/51/297373551.db2.gz HGDLLAYQDCDAKB-ARJAWSKDSA-N -1 3 318.402 2.663 20 0 DFADHM C/C=C\COc1cccc(CC(=O)Nc2nc(SC)n[n-]2)c1 ZINC000448830294 297373554 /nfs/dbraw/zinc/37/35/54/297373554.db2.gz HGDLLAYQDCDAKB-ARJAWSKDSA-N -1 3 318.402 2.663 20 0 DFADHM C/C=C\COc1cccc(CC(=O)Nc2n[n-]c(SC)n2)c1 ZINC000448830294 297373556 /nfs/dbraw/zinc/37/35/56/297373556.db2.gz HGDLLAYQDCDAKB-ARJAWSKDSA-N -1 3 318.402 2.663 20 0 DFADHM COc1cccc(C[C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448969665 297384743 /nfs/dbraw/zinc/38/47/43/297384743.db2.gz VWZVQSFABKPAAY-GFCCVEGCSA-N -1 3 317.360 2.830 20 0 DFADHM CCc1ccc(CCNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000449894604 297555414 /nfs/dbraw/zinc/55/54/14/297555414.db2.gz IJYSHZDCFUSMTM-UHFFFAOYSA-N -1 3 301.361 2.995 20 0 DFADHM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000450105034 297586729 /nfs/dbraw/zinc/58/67/29/297586729.db2.gz MWPGQUPZZCMTHW-LBPRGKRZSA-N -1 3 317.360 2.869 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@H]2OCC[C@H]21 ZINC000366535172 304540081 /nfs/dbraw/zinc/54/00/81/304540081.db2.gz XSNNFBQHCZJLME-HZPDHXFCSA-N -1 3 301.386 2.665 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3nccn3CC)nc2)n1 ZINC000450681644 297667946 /nfs/dbraw/zinc/66/79/46/297667946.db2.gz MRXFRZAMAUYASO-UHFFFAOYSA-N -1 3 324.388 2.635 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)CC(C)(C)O)nc2)n1 ZINC000450695725 297670049 /nfs/dbraw/zinc/67/00/49/297670049.db2.gz SKLBPVLBFLORHC-NSHDSACASA-N -1 3 316.405 2.768 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cccc2ncccc21)C(F)F ZINC000451088415 297746021 /nfs/dbraw/zinc/74/60/21/297746021.db2.gz YCBXOQRUEKKQOA-JTQLQIEISA-N -1 3 300.330 2.557 20 0 DFADHM CCc1nc(C[N-]S(=O)(=O)c2sccc2Cl)cs1 ZINC000451177500 297760042 /nfs/dbraw/zinc/76/00/42/297760042.db2.gz VVVZLMIPYIKBJZ-UHFFFAOYSA-N -1 3 322.864 2.899 20 0 DFADHM CCc1cnc(CC[N-]S(=O)(=O)c2cc(C)cs2)s1 ZINC000451267499 297777921 /nfs/dbraw/zinc/77/79/21/297777921.db2.gz NUJXXRXIMVIQMW-UHFFFAOYSA-N -1 3 316.473 2.596 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)C)c1 ZINC000451285679 297782154 /nfs/dbraw/zinc/78/21/54/297782154.db2.gz LWFQLNPIHBJIDA-OCCSQVGLSA-N -1 3 317.476 2.786 20 0 DFADHM COCC1(CC[N-]S(=O)(=O)c2cc(C)cs2)CCC1 ZINC000451584292 297839397 /nfs/dbraw/zinc/83/93/97/297839397.db2.gz SSSNLXCPRCDDTB-UHFFFAOYSA-N -1 3 303.449 2.542 20 0 DFADHM CC1(F)CC([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000451630935 297847978 /nfs/dbraw/zinc/84/79/78/297847978.db2.gz KKNFTSIRVLNJGD-UHFFFAOYSA-N -1 3 311.300 2.874 20 0 DFADHM Cc1ccc2c(c1)CN(C(=O)Cc1ccc([O-])c(F)c1)CCO2 ZINC000451712643 297863092 /nfs/dbraw/zinc/86/30/92/297863092.db2.gz REWCWGBYGIWGBY-UHFFFAOYSA-N -1 3 315.344 2.803 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C1CCC1 ZINC000451857911 297887566 /nfs/dbraw/zinc/88/75/66/297887566.db2.gz ACWJTHGPDHUTLK-UHFFFAOYSA-N -1 3 307.337 2.961 20 0 DFADHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000451986330 297909243 /nfs/dbraw/zinc/90/92/43/297909243.db2.gz 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COc1ccc(C(=O)N2CC(C)(CC(F)(F)F)C2)c([O-])c1 ZINC000457143833 298658219 /nfs/dbraw/zinc/65/82/19/298658219.db2.gz NYSAHBZIDWORBM-UHFFFAOYSA-N -1 3 303.280 2.815 20 0 DFADHM COc1cc(C(=O)NCCC2CC(F)(F)C2)cc(OC)c1[O-] ZINC000457166037 298663097 /nfs/dbraw/zinc/66/30/97/298663097.db2.gz YJTXFBVRGOVDEU-UHFFFAOYSA-N -1 3 315.316 2.575 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCC2CC(F)(F)C2)c1 ZINC000457166796 298663861 /nfs/dbraw/zinc/66/38/61/298663861.db2.gz YTZFGTHCWSULRV-UHFFFAOYSA-N -1 3 312.316 2.516 20 0 DFADHM Cc1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)ccc1[O-] ZINC000495711594 299961560 /nfs/dbraw/zinc/96/15/60/299961560.db2.gz LKZYZLNJGZOSJB-UHFFFAOYSA-N -1 3 312.325 2.910 20 0 DFADHM CCOC(=O)Nc1scnc1C(=O)[N-]c1csc(C)n1 ZINC000496046273 300011766 /nfs/dbraw/zinc/01/17/66/300011766.db2.gz USVITIGWMFCJQA-UHFFFAOYSA-N -1 3 312.376 2.729 20 0 DFADHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000496069364 300015206 /nfs/dbraw/zinc/01/52/06/300015206.db2.gz LEBCPGRLLWURJU-NWDGAFQWSA-N -1 3 317.345 2.823 20 0 DFADHM CC(C)(C)OC(=O)NC[C@](C)(NCc1ncccc1[O-])C1CC1 ZINC000496123497 300018540 /nfs/dbraw/zinc/01/85/40/300018540.db2.gz WDVZPKBSSCYKAT-KRWDZBQOSA-N -1 3 321.421 2.570 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)OC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000496128066 300019228 /nfs/dbraw/zinc/01/92/28/300019228.db2.gz YSTAKIJUIVAZRD-UFBFGSQYSA-N -1 3 314.769 2.755 20 0 DFADHM COC(=O)Nc1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000496497076 300071437 /nfs/dbraw/zinc/07/14/37/300071437.db2.gz XGCZIHHFAHSUJC-UHFFFAOYSA-N -1 3 315.329 2.817 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000496715526 300103405 /nfs/dbraw/zinc/10/34/05/300103405.db2.gz DAOZPWYTNBHZJX-LLVKDONJSA-N -1 3 308.378 2.895 20 0 DFADHM Cc1c(NC([O-])=NOC2CCC2)cccc1N1CCOC1=O ZINC000496965134 300139628 /nfs/dbraw/zinc/13/96/28/300139628.db2.gz XFBSAYWJTTZTKM-UHFFFAOYSA-N -1 3 305.334 2.557 20 0 DFADHM Cc1c(NC(=O)[N-]OC2CCC2)cccc1N1CCOC1=O ZINC000496965134 300139631 /nfs/dbraw/zinc/13/96/31/300139631.db2.gz XFBSAYWJTTZTKM-UHFFFAOYSA-N -1 3 305.334 2.557 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OCc2cccc(C)n2)cc1[O-] ZINC000497056432 300153902 /nfs/dbraw/zinc/15/39/02/300153902.db2.gz KLDJTZUCTKZEFG-UHFFFAOYSA-N -1 3 316.313 2.631 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OCc2scnc2C)cc1[O-] ZINC000497193036 300176102 /nfs/dbraw/zinc/17/61/02/300176102.db2.gz XPAVINIDQWKMKK-UHFFFAOYSA-N -1 3 322.342 2.692 20 0 DFADHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500399957 300207174 /nfs/dbraw/zinc/20/71/74/300207174.db2.gz QYMPIGFFXJLGRW-PWSUYJOCSA-N -1 3 308.428 2.744 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000500413388 300207620 /nfs/dbraw/zinc/20/76/20/300207620.db2.gz HAQHTTYXKRMHTR-QGZVFWFLSA-N -1 3 312.413 2.987 20 0 DFADHM Cc1nc(C)c(CC(=O)NC(CC(C)C)CC(C)C)c(=O)[n-]1 ZINC000505758272 300227184 /nfs/dbraw/zinc/22/71/84/300227184.db2.gz XWGFSINNVAINAY-UHFFFAOYSA-N -1 3 307.438 2.919 20 0 DFADHM CCOC(=O)CN(Cc1c(F)ccc([O-])c1F)CC(C)C ZINC000507485040 300236392 /nfs/dbraw/zinc/23/63/92/300236392.db2.gz LCKNBMASVOWVEC-UHFFFAOYSA-N -1 3 301.333 2.692 20 0 DFADHM CCC(CC)([N-]S(=O)(=O)CC1(C)CCCCC1)C(=O)OC ZINC000510629980 300247356 /nfs/dbraw/zinc/24/73/56/300247356.db2.gz TVDGATCDTKLQON-UHFFFAOYSA-N -1 3 319.467 2.608 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC(N(C)Cc3ccccc3)C2)c1 ZINC000512402546 300254033 /nfs/dbraw/zinc/25/40/33/300254033.db2.gz CGASSUAWIZLYBM-UHFFFAOYSA-N -1 3 324.424 2.911 20 0 DFADHM C[C@H](NCc1ncccc1[O-])c1ccc(Br)cn1 ZINC000514633986 300263210 /nfs/dbraw/zinc/26/32/10/300263210.db2.gz TZJRKYHHGRKXFA-VIFPVBQESA-N -1 3 308.179 2.796 20 0 DFADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(C(N)=O)c(Cl)c1 ZINC000514989392 300283127 /nfs/dbraw/zinc/28/31/27/300283127.db2.gz HRXDLNSSISMKJY-JTQLQIEISA-N -1 3 318.826 2.759 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000515218789 300296207 /nfs/dbraw/zinc/29/62/07/300296207.db2.gz SVASTNTZJOWSJQ-JTQLQIEISA-N -1 3 315.325 2.621 20 0 DFADHM COc1ccc2c(c1)CCCN(Cc1ccoc1C(=O)[O-])C2 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CN1CCC[C@@H](NC(=O)c2cccc3[n-]nnc32)c2ccccc21 ZINC000516405673 300341968 /nfs/dbraw/zinc/34/19/68/300341968.db2.gz PQUFGCQPZHCXMU-CQSZACIVSA-N -1 3 321.384 2.659 20 0 DFADHM CN1CCC[C@@H](NC(=O)c2cccc3n[n-]nc32)c2ccccc21 ZINC000516405673 300341971 /nfs/dbraw/zinc/34/19/71/300341971.db2.gz PQUFGCQPZHCXMU-CQSZACIVSA-N -1 3 321.384 2.659 20 0 DFADHM O=c1cc(C[S@](=O)c2ccc3c(c2)CCC3)nc(C2CC2)[n-]1 ZINC000516914210 300368452 /nfs/dbraw/zinc/36/84/52/300368452.db2.gz QVAJCTLYZGZMPW-QFIPXVFZSA-N -1 3 314.410 2.856 20 0 DFADHM CC[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1c(C)noc1C ZINC000517172381 300385963 /nfs/dbraw/zinc/38/59/63/300385963.db2.gz LDEPLIJQFRFXDX-LLVKDONJSA-N -1 3 316.361 2.546 20 0 DFADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517880210 300410393 /nfs/dbraw/zinc/41/03/93/300410393.db2.gz WJPLFOLKXALCES-XHDPSFHLSA-N -1 3 314.385 2.659 20 0 DFADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3C[C@H]3C)cc2)cc(=O)[n-]1 ZINC000518908821 300436459 /nfs/dbraw/zinc/43/64/59/300436459.db2.gz 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Cc1noc(C)c1[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737535543 598870550 /nfs/dbraw/zinc/87/05/50/598870550.db2.gz BAPLOJRERSLWKL-LURJTMIESA-N -1 3 319.756 2.693 20 0 DFADHM Cc1noc(C)c1[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737535543 598870551 /nfs/dbraw/zinc/87/05/51/598870551.db2.gz BAPLOJRERSLWKL-LURJTMIESA-N -1 3 319.756 2.693 20 0 DFADHM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736116164 598876995 /nfs/dbraw/zinc/87/69/95/598876995.db2.gz KZTJNJLOXNHGSY-SNVBAGLBSA-N -1 3 300.366 2.567 20 0 DFADHM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736116164 598876997 /nfs/dbraw/zinc/87/69/97/598876997.db2.gz KZTJNJLOXNHGSY-SNVBAGLBSA-N -1 3 300.366 2.567 20 0 DFADHM CC(C)[C@@H](C)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735699828 598903224 /nfs/dbraw/zinc/90/32/24/598903224.db2.gz CYMIBVBJOLHXRJ-VIFPVBQESA-N -1 3 322.800 2.934 20 0 DFADHM CC(C)[C@@H](C)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735699828 598903226 /nfs/dbraw/zinc/90/32/26/598903226.db2.gz CYMIBVBJOLHXRJ-VIFPVBQESA-N -1 3 322.800 2.934 20 0 DFADHM Cc1cccc(C)c1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737391342 598923841 /nfs/dbraw/zinc/92/38/41/598923841.db2.gz ZZSFXGAOXKOJTI-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cccc(C)c1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737391342 598923842 /nfs/dbraw/zinc/92/38/42/598923842.db2.gz ZZSFXGAOXKOJTI-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM CCc1c(C)sc(NC(=O)C2CC=CC2)c1-c1nnn[n-]1 ZINC000736669340 598941299 /nfs/dbraw/zinc/94/12/99/598941299.db2.gz FIQWLPNPZRCLIL-UHFFFAOYSA-N -1 3 303.391 2.704 20 0 DFADHM CCc1c(C)sc(NC(=O)C2CC=CC2)c1-c1nn[n-]n1 ZINC000736669340 598941301 /nfs/dbraw/zinc/94/13/01/598941301.db2.gz FIQWLPNPZRCLIL-UHFFFAOYSA-N -1 3 303.391 2.704 20 0 DFADHM C[C@@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000736026346 598977513 /nfs/dbraw/zinc/97/75/13/598977513.db2.gz RSDKYIWIBXTDBY-JTQLQIEISA-N -1 3 318.450 2.835 20 0 DFADHM C[C@@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000736026346 598977515 /nfs/dbraw/zinc/97/75/15/598977515.db2.gz RSDKYIWIBXTDBY-JTQLQIEISA-N -1 3 318.450 2.835 20 0 DFADHM CC(C)(C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735582953 598978809 /nfs/dbraw/zinc/97/88/09/598978809.db2.gz PGXLEMTZIXOQEZ-UHFFFAOYSA-N -1 3 314.370 2.811 20 0 DFADHM CC(C)(C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735582953 598978811 /nfs/dbraw/zinc/97/88/11/598978811.db2.gz PGXLEMTZIXOQEZ-UHFFFAOYSA-N -1 3 314.370 2.811 20 0 DFADHM O=C(CCC1CC1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737824361 598981075 /nfs/dbraw/zinc/98/10/75/598981075.db2.gz QSFCVNBJLDFGTE-UHFFFAOYSA-N -1 3 303.391 2.546 20 0 DFADHM O=C(CCC1CC1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737824361 598981077 /nfs/dbraw/zinc/98/10/77/598981077.db2.gz QSFCVNBJLDFGTE-UHFFFAOYSA-N -1 3 303.391 2.546 20 0 DFADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000736007790 599007071 /nfs/dbraw/zinc/00/70/71/599007071.db2.gz DXBZBCZBKQPWDT-VMPCVLLUSA-N -1 3 313.405 2.678 20 0 DFADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000736007790 599007072 /nfs/dbraw/zinc/00/70/72/599007072.db2.gz DXBZBCZBKQPWDT-VMPCVLLUSA-N -1 3 313.405 2.678 20 0 DFADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000735512695 599015187 /nfs/dbraw/zinc/01/51/87/599015187.db2.gz IPGWPTHQISLNIY-NSHDSACASA-N -1 3 301.394 2.507 20 0 DFADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000735512695 599015188 /nfs/dbraw/zinc/01/51/88/599015188.db2.gz IPGWPTHQISLNIY-NSHDSACASA-N -1 3 301.394 2.507 20 0 DFADHM CCN(C)C(=O)CCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821159910 607257839 /nfs/dbraw/zinc/25/78/39/607257839.db2.gz DGPUCHIWJLJYQK-LLVKDONJSA-N -1 3 319.434 2.529 20 0 DFADHM CCN(C)C(=O)CCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821159910 607257840 /nfs/dbraw/zinc/25/78/40/607257840.db2.gz DGPUCHIWJLJYQK-LLVKDONJSA-N -1 3 319.434 2.529 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC[C@@H]1c1ccccc1 ZINC000820768781 599050617 /nfs/dbraw/zinc/05/06/17/599050617.db2.gz PROBBOHHXDDNGQ-CJNGLKHVSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC[C@@H]1c1ccccc1 ZINC000820768781 599050622 /nfs/dbraw/zinc/05/06/22/599050622.db2.gz PROBBOHHXDDNGQ-CJNGLKHVSA-N -1 3 320.400 2.892 20 0 DFADHM CC1(C)[C@@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)C[C@@H]21 ZINC000820586028 599053142 /nfs/dbraw/zinc/05/31/42/599053142.db2.gz RXCMOWMLEZKXRC-BETUJISGSA-N -1 3 306.373 2.507 20 0 DFADHM CC1(C)[C@@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)C[C@@H]21 ZINC000820586028 599053145 /nfs/dbraw/zinc/05/31/45/599053145.db2.gz RXCMOWMLEZKXRC-BETUJISGSA-N -1 3 306.373 2.507 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1C2CCCC1CCC2 ZINC000822563936 599055295 /nfs/dbraw/zinc/05/52/95/599055295.db2.gz QSGUJRJXOUTQJI-UHFFFAOYSA-N -1 3 304.785 2.827 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1C2CCCC1CCC2 ZINC000822563936 599055298 /nfs/dbraw/zinc/05/52/98/599055298.db2.gz QSGUJRJXOUTQJI-UHFFFAOYSA-N -1 3 304.785 2.827 20 0 DFADHM Cc1nnc(NCC[C@@H]2CCC[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737521436 599064513 /nfs/dbraw/zinc/06/45/13/599064513.db2.gz PJRHIFPQTMQZES-GWCFXTLKSA-N -1 3 315.425 2.902 20 0 DFADHM Cc1nnc(NCC[C@@H]2CCC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737521436 599064515 /nfs/dbraw/zinc/06/45/15/599064515.db2.gz PJRHIFPQTMQZES-GWCFXTLKSA-N -1 3 315.425 2.902 20 0 DFADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)C[C@@H](C)S1 ZINC000820767703 599074530 /nfs/dbraw/zinc/07/45/30/599074530.db2.gz JYAJQQJGQLTRNU-RKDXNWHRSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)C[C@@H](C)S1 ZINC000820767703 599074533 /nfs/dbraw/zinc/07/45/33/599074533.db2.gz JYAJQQJGQLTRNU-RKDXNWHRSA-N -1 3 309.826 2.850 20 0 DFADHM c1cc2c(s1)CCO[C@H]2CNc1ccc(-c2nn[n-]n2)cc1 ZINC000823766878 599076450 /nfs/dbraw/zinc/07/64/50/599076450.db2.gz KWTWLNSMZLGXNT-ZDUSSCGKSA-N -1 3 313.386 2.654 20 0 DFADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)Sc1ccccc1 ZINC000820276181 599079555 /nfs/dbraw/zinc/07/95/55/599079555.db2.gz UAOMVCLYDQLVKJ-LLVKDONJSA-N -1 3 312.402 2.854 20 0 DFADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)Sc1ccccc1 ZINC000820276181 599079557 /nfs/dbraw/zinc/07/95/57/599079557.db2.gz UAOMVCLYDQLVKJ-LLVKDONJSA-N -1 3 312.402 2.854 20 0 DFADHM CCc1cnc(CCNc2cccc(F)c2-c2nnn[n-]2)s1 ZINC000821496109 599083100 /nfs/dbraw/zinc/08/31/00/599083100.db2.gz CFUQZJGZLIVSNR-UHFFFAOYSA-N -1 3 318.381 2.679 20 0 DFADHM CCc1cnc(CCNc2cccc(F)c2-c2nn[n-]n2)s1 ZINC000821496109 599083103 /nfs/dbraw/zinc/08/31/03/599083103.db2.gz CFUQZJGZLIVSNR-UHFFFAOYSA-N -1 3 318.381 2.679 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCC(C1CC1)C1CC1 ZINC000822737505 599083917 /nfs/dbraw/zinc/08/39/17/599083917.db2.gz XVRKGNIHTPARBM-UHFFFAOYSA-N -1 3 305.332 2.993 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCC(C1CC1)C1CC1 ZINC000822737505 599083920 /nfs/dbraw/zinc/08/39/20/599083920.db2.gz XVRKGNIHTPARBM-UHFFFAOYSA-N -1 3 305.332 2.993 20 0 DFADHM CCC(CC)(CC(=O)[O-])NCc1csc([C@H](C)OC)n1 ZINC000828804937 602212133 /nfs/dbraw/zinc/21/21/33/602212133.db2.gz XIDNKWNKDBZXOE-JTQLQIEISA-N -1 3 300.424 2.974 20 0 DFADHM CCO[C@@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC000736609885 599118622 /nfs/dbraw/zinc/11/86/22/599118622.db2.gz GTBOEIIIOTYEIM-QWHCGFSZSA-N -1 3 317.368 2.765 20 0 DFADHM CCO[C@@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC000736609885 599118625 /nfs/dbraw/zinc/11/86/25/599118625.db2.gz GTBOEIIIOTYEIM-QWHCGFSZSA-N -1 3 317.368 2.765 20 0 DFADHM CCO[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC000736609886 599119449 /nfs/dbraw/zinc/11/94/49/599119449.db2.gz GTBOEIIIOTYEIM-STQMWFEESA-N -1 3 317.368 2.765 20 0 DFADHM CCO[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC000736609886 599119451 /nfs/dbraw/zinc/11/94/51/599119451.db2.gz GTBOEIIIOTYEIM-STQMWFEESA-N -1 3 317.368 2.765 20 0 DFADHM Cc1nnc(N[C@H]2C[C@@H]2C2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737522439 599120431 /nfs/dbraw/zinc/12/04/31/599120431.db2.gz SQGVYMPSMGMAJB-OLZOCXBDSA-N -1 3 313.409 2.654 20 0 DFADHM Cc1nnc(N[C@H]2C[C@@H]2C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737522439 599120433 /nfs/dbraw/zinc/12/04/33/599120433.db2.gz SQGVYMPSMGMAJB-OLZOCXBDSA-N -1 3 313.409 2.654 20 0 DFADHM O=C(CCCC1CCCC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822954803 599138354 /nfs/dbraw/zinc/13/83/54/599138354.db2.gz DXLOJTGETGEVQL-UHFFFAOYSA-N -1 3 313.405 2.843 20 0 DFADHM O=C(CCCC1CCCC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822954803 599138355 /nfs/dbraw/zinc/13/83/55/599138355.db2.gz DXLOJTGETGEVQL-UHFFFAOYSA-N -1 3 313.405 2.843 20 0 DFADHM C/C(=C/C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000819765426 599139496 /nfs/dbraw/zinc/13/94/96/599139496.db2.gz PZLSYMGDSYHPEB-BENRWUELSA-N -1 3 313.405 2.818 20 0 DFADHM C/C(=C/C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000819765426 599139498 /nfs/dbraw/zinc/13/94/98/599139498.db2.gz PZLSYMGDSYHPEB-BENRWUELSA-N -1 3 313.405 2.818 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)C(C)(C)C ZINC000737293593 599145956 /nfs/dbraw/zinc/14/59/56/599145956.db2.gz FZGMFQUANNNWKV-NSHDSACASA-N -1 3 316.409 2.979 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)C(C)(C)C ZINC000737293593 599145958 /nfs/dbraw/zinc/14/59/58/599145958.db2.gz FZGMFQUANNNWKV-NSHDSACASA-N -1 3 316.409 2.979 20 0 DFADHM Cc1ccc([C@H](C)C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822227312 599147537 /nfs/dbraw/zinc/14/75/37/599147537.db2.gz CZLAIOADFHLAHQ-NSHDSACASA-N -1 3 311.345 2.535 20 0 DFADHM Cc1ccc([C@H](C)C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822227312 599147539 /nfs/dbraw/zinc/14/75/39/599147539.db2.gz CZLAIOADFHLAHQ-NSHDSACASA-N -1 3 311.345 2.535 20 0 DFADHM Cc1cc(F)cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000822203152 599148283 /nfs/dbraw/zinc/14/82/83/599148283.db2.gz GZFRWKGXTLXOQT-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cc(F)cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000822203152 599148285 /nfs/dbraw/zinc/14/82/85/599148285.db2.gz GZFRWKGXTLXOQT-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1ccco1 ZINC000738268796 599165592 /nfs/dbraw/zinc/16/55/92/599165592.db2.gz OCKPGKQXNUPXPZ-CQSZACIVSA-N -1 3 323.356 2.827 20 0 DFADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1ccco1 ZINC000738268796 599165595 /nfs/dbraw/zinc/16/55/95/599165595.db2.gz OCKPGKQXNUPXPZ-CQSZACIVSA-N -1 3 323.356 2.827 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735571693 599174947 /nfs/dbraw/zinc/17/49/47/599174947.db2.gz HSQGMMOKSVKVKM-JTQLQIEISA-N -1 3 312.304 2.715 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735571693 599174949 /nfs/dbraw/zinc/17/49/49/599174949.db2.gz HSQGMMOKSVKVKM-JTQLQIEISA-N -1 3 312.304 2.715 20 0 DFADHM CN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCC1 ZINC000736741416 599175418 /nfs/dbraw/zinc/17/54/18/599175418.db2.gz OJRPNHCBRZFFDB-UHFFFAOYSA-N -1 3 322.825 2.701 20 0 DFADHM CN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCC1 ZINC000736741416 599175419 /nfs/dbraw/zinc/17/54/19/599175419.db2.gz OJRPNHCBRZFFDB-UHFFFAOYSA-N -1 3 322.825 2.701 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1c1ccco1 ZINC000738151001 599182015 /nfs/dbraw/zinc/18/20/15/599182015.db2.gz FDAUCTWTGXIYKL-ZDUSSCGKSA-N -1 3 324.344 2.829 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1ccco1 ZINC000738151001 599182017 /nfs/dbraw/zinc/18/20/17/599182017.db2.gz FDAUCTWTGXIYKL-ZDUSSCGKSA-N -1 3 324.344 2.829 20 0 DFADHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(C)c1 ZINC000737072639 599187381 /nfs/dbraw/zinc/18/73/81/599187381.db2.gz UJDHQEXURVXFNW-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(C)c1 ZINC000737072639 599187384 /nfs/dbraw/zinc/18/73/84/599187384.db2.gz UJDHQEXURVXFNW-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM Cc1nc(CNc2ncc(-c3nnn[n-]3)cc2Cl)sc1C ZINC000822444327 599357558 /nfs/dbraw/zinc/35/75/58/599357558.db2.gz MARUYYVYSIIOJK-UHFFFAOYSA-N -1 3 321.797 2.601 20 0 DFADHM Cc1nc(CNc2ncc(-c3nn[n-]n3)cc2Cl)sc1C ZINC000822444327 599357560 /nfs/dbraw/zinc/35/75/60/599357560.db2.gz MARUYYVYSIIOJK-UHFFFAOYSA-N -1 3 321.797 2.601 20 0 DFADHM CSC(C)(C)CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821949804 599357997 /nfs/dbraw/zinc/35/79/97/599357997.db2.gz JAGCYTACZUZTTJ-UHFFFAOYSA-N -1 3 314.418 2.968 20 0 DFADHM CSC(C)(C)CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821949804 599358000 /nfs/dbraw/zinc/35/80/00/599358000.db2.gz JAGCYTACZUZTTJ-UHFFFAOYSA-N -1 3 314.418 2.968 20 0 DFADHM CC(C)[C@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735748078 599238828 /nfs/dbraw/zinc/23/88/28/599238828.db2.gz HEBPSKCEGDNSSK-CQSZACIVSA-N -1 3 314.393 2.909 20 0 DFADHM CC(C)[C@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735748078 599238830 /nfs/dbraw/zinc/23/88/30/599238830.db2.gz HEBPSKCEGDNSSK-CQSZACIVSA-N -1 3 314.393 2.909 20 0 DFADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1F ZINC000822177147 607269942 /nfs/dbraw/zinc/26/99/42/607269942.db2.gz VFKKPGVXELAANC-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1F ZINC000822177147 607269943 /nfs/dbraw/zinc/26/99/43/607269943.db2.gz VFKKPGVXELAANC-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CCc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736692641 599241475 /nfs/dbraw/zinc/24/14/75/599241475.db2.gz SKVCPVLRADWWEO-UHFFFAOYSA-N -1 3 308.341 2.786 20 0 DFADHM CCc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736692641 599241478 /nfs/dbraw/zinc/24/14/78/599241478.db2.gz SKVCPVLRADWWEO-UHFFFAOYSA-N -1 3 308.341 2.786 20 0 DFADHM Cc1ccc(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)o1 ZINC000822235229 607269389 /nfs/dbraw/zinc/26/93/89/607269389.db2.gz XYFMBAXWKXIPRE-UHFFFAOYSA-N -1 3 311.345 2.648 20 0 DFADHM Cc1ccc(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)o1 ZINC000822235229 607269390 /nfs/dbraw/zinc/26/93/90/607269390.db2.gz XYFMBAXWKXIPRE-UHFFFAOYSA-N -1 3 311.345 2.648 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC1CCCC1 ZINC000737263652 599253376 /nfs/dbraw/zinc/25/33/76/599253376.db2.gz NMUIEPCHDSUHLM-UHFFFAOYSA-N -1 3 312.352 2.639 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC1CCCC1 ZINC000737263652 599253379 /nfs/dbraw/zinc/25/33/79/599253379.db2.gz NMUIEPCHDSUHLM-UHFFFAOYSA-N -1 3 312.352 2.639 20 0 DFADHM Cc1c(NC(=O)NCC2(C)CCCC2)cccc1-c1nnn[n-]1 ZINC000822097515 607283507 /nfs/dbraw/zinc/28/35/07/607283507.db2.gz ZLVALFJOQZFFPT-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM Cc1c(NC(=O)NCC2(C)CCCC2)cccc1-c1nn[n-]n1 ZINC000822097515 607283508 /nfs/dbraw/zinc/28/35/08/607283508.db2.gz ZLVALFJOQZFFPT-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM CCC[C@@H](CC)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821014713 607290219 /nfs/dbraw/zinc/29/02/19/607290219.db2.gz KEEKUIQOAJWKHX-LLVKDONJSA-N -1 3 302.382 2.875 20 0 DFADHM CCC[C@@H](CC)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821014713 607290220 /nfs/dbraw/zinc/29/02/20/607290220.db2.gz KEEKUIQOAJWKHX-LLVKDONJSA-N -1 3 302.382 2.875 20 0 DFADHM Cc1c(NC(=O)NC(C)(C)C(C)C)cccc1-c1nnn[n-]1 ZINC000822089641 607291764 /nfs/dbraw/zinc/29/17/64/607291764.db2.gz FUIIFILNMGOQJB-UHFFFAOYSA-N -1 3 302.382 2.731 20 0 DFADHM Cc1c(NC(=O)NC(C)(C)C(C)C)cccc1-c1nn[n-]n1 ZINC000822089641 607291765 /nfs/dbraw/zinc/29/17/65/607291765.db2.gz FUIIFILNMGOQJB-UHFFFAOYSA-N -1 3 302.382 2.731 20 0 DFADHM Cc1c(NC(=O)[C@H](C)OCCC(C)C)cccc1-c1nnn[n-]1 ZINC000822060454 607295669 /nfs/dbraw/zinc/29/56/69/607295669.db2.gz HSFOAUPIPSTLLZ-LBPRGKRZSA-N -1 3 317.393 2.565 20 0 DFADHM Cc1c(NC(=O)[C@H](C)OCCC(C)C)cccc1-c1nn[n-]n1 ZINC000822060454 607295670 /nfs/dbraw/zinc/29/56/70/607295670.db2.gz HSFOAUPIPSTLLZ-LBPRGKRZSA-N -1 3 317.393 2.565 20 0 DFADHM CCOc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821431073 607309194 /nfs/dbraw/zinc/30/91/94/607309194.db2.gz LAIYODBUUHONJN-UHFFFAOYSA-N -1 3 301.375 2.939 20 0 DFADHM CC=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000820826990 607303480 /nfs/dbraw/zinc/30/34/80/607303480.db2.gz PNLLNLMYNHJQIG-ZKUGPGMGSA-N -1 3 317.418 2.958 20 0 DFADHM C/C=C(/C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000820826990 607303481 /nfs/dbraw/zinc/30/34/81/607303481.db2.gz PNLLNLMYNHJQIG-ZKUGPGMGSA-N -1 3 317.418 2.958 20 0 DFADHM CC(C)c1nnc(NCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000820211533 607304549 /nfs/dbraw/zinc/30/45/49/607304549.db2.gz RBZTYZLKZBHGPH-UHFFFAOYSA-N -1 3 319.369 2.593 20 0 DFADHM CC(C)c1nnc(NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000820211533 607304550 /nfs/dbraw/zinc/30/45/50/607304550.db2.gz RBZTYZLKZBHGPH-UHFFFAOYSA-N -1 3 319.369 2.593 20 0 DFADHM CCN(Cc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821221133 607305274 /nfs/dbraw/zinc/30/52/74/607305274.db2.gz IRSCHTBVQSZUJL-UHFFFAOYSA-N -1 3 309.373 2.902 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1Oc1cccnc1Cl ZINC000737557529 599305844 /nfs/dbraw/zinc/30/58/44/599305844.db2.gz FQNYJYHZXWXOEB-UHFFFAOYSA-N -1 3 309.116 2.756 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccoc1 ZINC000736487128 599275089 /nfs/dbraw/zinc/27/50/89/599275089.db2.gz CWWJCCOYVMWIJU-UHFFFAOYSA-N -1 3 312.333 2.534 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820869238 599278659 /nfs/dbraw/zinc/27/86/59/599278659.db2.gz FFYRRLFBKMWNTF-VHSXEESVSA-N -1 3 320.372 2.952 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820869238 599278661 /nfs/dbraw/zinc/27/86/61/599278661.db2.gz FFYRRLFBKMWNTF-VHSXEESVSA-N -1 3 320.372 2.952 20 0 DFADHM C[C@H](Sc1nnc2ccccn21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193821 599287431 /nfs/dbraw/zinc/28/74/31/599287431.db2.gz TXMBCXBIVMVENW-JTQLQIEISA-N -1 3 323.385 2.763 20 0 DFADHM C[C@H](Sc1nnc2ccccn21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193821 599287432 /nfs/dbraw/zinc/28/74/32/599287432.db2.gz TXMBCXBIVMVENW-JTQLQIEISA-N -1 3 323.385 2.763 20 0 DFADHM C[C@@H](Sc1nnc2ccccn21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193822 599287769 /nfs/dbraw/zinc/28/77/69/599287769.db2.gz TXMBCXBIVMVENW-SNVBAGLBSA-N -1 3 323.385 2.763 20 0 DFADHM C[C@@H](Sc1nnc2ccccn21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193822 599287771 /nfs/dbraw/zinc/28/77/71/599287771.db2.gz TXMBCXBIVMVENW-SNVBAGLBSA-N -1 3 323.385 2.763 20 0 DFADHM CSCC[C@H](C)N(C)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821962635 607327348 /nfs/dbraw/zinc/32/73/48/607327348.db2.gz UHUBMYOAHOMOHU-QMMMGPOBSA-N -1 3 313.377 2.723 20 0 DFADHM CSCC[C@H](C)N(C)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821962635 607327349 /nfs/dbraw/zinc/32/73/49/607327349.db2.gz UHUBMYOAHOMOHU-QMMMGPOBSA-N -1 3 313.377 2.723 20 0 DFADHM CSc1ccc(OCCn2cc(C)c(-c3nnn[n-]3)c2)cc1 ZINC000821984967 607330236 /nfs/dbraw/zinc/33/02/36/607330236.db2.gz WMDCFBONHGLLHW-UHFFFAOYSA-N -1 3 315.402 2.778 20 0 DFADHM CSc1ccc(OCCn2cc(C)c(-c3nn[n-]n3)c2)cc1 ZINC000821984967 607330237 /nfs/dbraw/zinc/33/02/37/607330237.db2.gz WMDCFBONHGLLHW-UHFFFAOYSA-N -1 3 315.402 2.778 20 0 DFADHM Cc1cn(CC(=O)Nc2cccc(C(C)C)c2)cc1-c1nnn[n-]1 ZINC000822384899 607330958 /nfs/dbraw/zinc/33/09/58/607330958.db2.gz UGSHDIGKISDZHG-UHFFFAOYSA-N -1 3 324.388 2.739 20 0 DFADHM Cc1cn(CC(=O)Nc2cccc(C(C)C)c2)cc1-c1nn[n-]n1 ZINC000822384899 607330959 /nfs/dbraw/zinc/33/09/59/607330959.db2.gz UGSHDIGKISDZHG-UHFFFAOYSA-N -1 3 324.388 2.739 20 0 DFADHM Cc1cc2ncc([C@@H](C)NCc3ccc(C(=O)[O-])cc3)c(C)n2n1 ZINC000821051993 598162528 /nfs/dbraw/zinc/16/25/28/598162528.db2.gz GHXVABBPWHPSGT-GFCCVEGCSA-N -1 3 324.384 2.895 20 0 DFADHM Cc1c([C@@H](C)NCCCCC(=O)[O-])nnn1-c1ccc(C)cc1 ZINC000821058224 598171499 /nfs/dbraw/zinc/17/14/99/598171499.db2.gz DDCGHXCASQHHCK-CYBMUJFWSA-N -1 3 316.405 2.790 20 0 DFADHM COc1ccc(-c2nc(CN[C@@H](C(=O)[O-])C(C)C)co2)cc1 ZINC000820804977 598188895 /nfs/dbraw/zinc/18/88/95/598188895.db2.gz DSMWVLAOWSQSDL-CQSZACIVSA-N -1 3 304.346 2.549 20 0 DFADHM CC(C)C[C@@H](NCc1nccn1Cc1ccccc1)C(=O)[O-] ZINC000817891947 598208775 /nfs/dbraw/zinc/20/87/75/598208775.db2.gz MZIGCRXSLCOWEL-OAHLLOKOSA-N -1 3 301.390 2.520 20 0 DFADHM CN(CCNc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736801129 598235501 /nfs/dbraw/zinc/23/55/01/598235501.db2.gz RXNIHXNCLPESHW-UHFFFAOYSA-N -1 3 312.352 2.554 20 0 DFADHM Cc1cccc(OCCNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737412086 598236305 /nfs/dbraw/zinc/23/63/05/598236305.db2.gz SSOFYIFXIRQCDJ-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM COCc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000737022282 598237472 /nfs/dbraw/zinc/23/74/72/598237472.db2.gz PXCOLPDLPCGZCW-UHFFFAOYSA-N -1 3 313.336 2.764 20 0 DFADHM CC[C@H](C)[C@@H](C)N(C(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736329238 598240762 /nfs/dbraw/zinc/24/07/62/598240762.db2.gz JIGSCSBBOUBBOD-NWDGAFQWSA-N -1 3 313.405 2.906 20 0 DFADHM CC[C@H](C)[C@@H](C)N(C(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736329238 598240765 /nfs/dbraw/zinc/24/07/65/598240765.db2.gz JIGSCSBBOUBBOD-NWDGAFQWSA-N -1 3 313.405 2.906 20 0 DFADHM Cc1ccccc1[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000737420271 598245353 /nfs/dbraw/zinc/24/53/53/598245353.db2.gz FCKHFYOTWWYACH-ZDUSSCGKSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccccc1[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000737420271 598245355 /nfs/dbraw/zinc/24/53/55/598245355.db2.gz FCKHFYOTWWYACH-ZDUSSCGKSA-N -1 3 306.373 2.564 20 0 DFADHM Fc1cccc([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000737665582 598246784 /nfs/dbraw/zinc/24/67/84/598246784.db2.gz HOMKDOHBWOSSDX-CQSZACIVSA-N -1 3 309.348 3.000 20 0 DFADHM CC(C)C[C@H](C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735760339 598296755 /nfs/dbraw/zinc/29/67/55/598296755.db2.gz AUNFLDWJAOVNSE-NSHDSACASA-N -1 3 319.384 2.694 20 0 DFADHM CC(C)C[C@H](C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735760339 598296757 /nfs/dbraw/zinc/29/67/57/598296757.db2.gz AUNFLDWJAOVNSE-NSHDSACASA-N -1 3 319.384 2.694 20 0 DFADHM CC(C)(C)CCCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735604346 598296762 /nfs/dbraw/zinc/29/67/62/598296762.db2.gz VKEAFUSYSRVOMF-UHFFFAOYSA-N -1 3 319.384 2.838 20 0 DFADHM CC(C)(C)CCCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735604346 598296764 /nfs/dbraw/zinc/29/67/64/598296764.db2.gz VKEAFUSYSRVOMF-UHFFFAOYSA-N -1 3 319.384 2.838 20 0 DFADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1CCCCCC1 ZINC000738101045 598299864 /nfs/dbraw/zinc/29/98/64/598299864.db2.gz WTTLTNFLFUIUCN-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1CCCCCC1 ZINC000738101045 598299867 /nfs/dbraw/zinc/29/98/67/598299867.db2.gz WTTLTNFLFUIUCN-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1ccc(Cl)o1 ZINC000737640435 598316939 /nfs/dbraw/zinc/31/69/39/598316939.db2.gz WWLIYEMOQQCYNZ-UHFFFAOYSA-N -1 3 307.716 2.542 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccc(Cl)o1 ZINC000737640435 598316941 /nfs/dbraw/zinc/31/69/41/598316941.db2.gz WWLIYEMOQQCYNZ-UHFFFAOYSA-N -1 3 307.716 2.542 20 0 DFADHM CC[C@@H](C)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736322807 598320334 /nfs/dbraw/zinc/32/03/34/598320334.db2.gz PAGATXAAVZVIAF-MRVPVSSYSA-N -1 3 324.841 2.947 20 0 DFADHM CC[C@@H](C)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736322807 598320336 /nfs/dbraw/zinc/32/03/36/598320336.db2.gz PAGATXAAVZVIAF-MRVPVSSYSA-N -1 3 324.841 2.947 20 0 DFADHM CN(CC1CC1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736794289 598320873 /nfs/dbraw/zinc/32/08/73/598320873.db2.gz PUHDAKAMSMITRY-UHFFFAOYSA-N -1 3 322.825 2.559 20 0 DFADHM CN(CC1CC1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736794289 598320875 /nfs/dbraw/zinc/32/08/75/598320875.db2.gz PUHDAKAMSMITRY-UHFFFAOYSA-N -1 3 322.825 2.559 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)CC ZINC000736637632 598365296 /nfs/dbraw/zinc/36/52/96/598365296.db2.gz XLAGQZFIVOGNIK-UHFFFAOYSA-N -1 3 303.366 2.640 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)CC ZINC000736637632 598365298 /nfs/dbraw/zinc/36/52/98/598365298.db2.gz XLAGQZFIVOGNIK-UHFFFAOYSA-N -1 3 303.366 2.640 20 0 DFADHM CC(C)c1nnc(CSc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000735953514 598378325 /nfs/dbraw/zinc/37/83/25/598378325.db2.gz VNOSDODZJPWLHY-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CC(C)c1nnc(CSc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735953514 598378327 /nfs/dbraw/zinc/37/83/27/598378327.db2.gz VNOSDODZJPWLHY-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1NCCOC1CCCCC1 ZINC000737559422 598392726 /nfs/dbraw/zinc/39/27/26/598392726.db2.gz WZEPQZNGQZUZQK-UHFFFAOYSA-N -1 3 322.800 2.676 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1NCCOC1CCCCC1 ZINC000737559422 598392728 /nfs/dbraw/zinc/39/27/28/598392728.db2.gz WZEPQZNGQZUZQK-UHFFFAOYSA-N -1 3 322.800 2.676 20 0 DFADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000737194300 598421494 /nfs/dbraw/zinc/42/14/94/598421494.db2.gz HTGWCMGJTBXGAK-HHQWOOOKSA-N -1 3 319.368 2.757 20 0 DFADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000737194300 598421496 /nfs/dbraw/zinc/42/14/96/598421496.db2.gz HTGWCMGJTBXGAK-HHQWOOOKSA-N -1 3 319.368 2.757 20 0 DFADHM Cc1cccc(N(C)CCOc2ccccc2-c2nnn[n-]2)c1 ZINC000737397008 598421862 /nfs/dbraw/zinc/42/18/62/598421862.db2.gz QMFQPYSIIJXSAY-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM Cc1cccc(N(C)CCOc2ccccc2-c2nn[n-]n2)c1 ZINC000737397008 598421864 /nfs/dbraw/zinc/42/18/64/598421864.db2.gz QMFQPYSIIJXSAY-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM O=C(NC1CCC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738024324 598426214 /nfs/dbraw/zinc/42/62/14/598426214.db2.gz JDGONCFHPMNHOC-UHFFFAOYSA-N -1 3 319.368 2.816 20 0 DFADHM O=C(NC1CCC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738024324 598426215 /nfs/dbraw/zinc/42/62/15/598426215.db2.gz JDGONCFHPMNHOC-UHFFFAOYSA-N -1 3 319.368 2.816 20 0 DFADHM CC[C@H](C)c1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736328488 598436438 /nfs/dbraw/zinc/43/64/38/598436438.db2.gz PEWLNTFYBOFVQR-NSHDSACASA-N -1 3 323.356 2.994 20 0 DFADHM CC[C@H](C)c1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736328488 598436440 /nfs/dbraw/zinc/43/64/40/598436440.db2.gz PEWLNTFYBOFVQR-NSHDSACASA-N -1 3 323.356 2.994 20 0 DFADHM CCN(C(=O)c1sccc1-c1nnn[n-]1)[C@@H]1CCCC[C@@H]1C ZINC000736507102 598445694 /nfs/dbraw/zinc/44/56/94/598445694.db2.gz ADWOACLECKGYAC-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM CCN(C(=O)c1sccc1-c1nn[n-]n1)[C@@H]1CCCC[C@@H]1C ZINC000736507102 598445695 /nfs/dbraw/zinc/44/56/95/598445695.db2.gz ADWOACLECKGYAC-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM Cc1nc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000737472315 598469243 /nfs/dbraw/zinc/46/92/43/598469243.db2.gz ZDVOHQLDUTVYQI-SSDOTTSWSA-N -1 3 304.354 2.944 20 0 DFADHM CC(C)(C)n1cnnc1SCc1ccccc1-c1nnn[n-]1 ZINC000735664018 598493994 /nfs/dbraw/zinc/49/39/94/598493994.db2.gz DNFVRGUWCDXITJ-UHFFFAOYSA-N -1 3 315.406 2.506 20 0 DFADHM CC(C)(C)n1cnnc1SCc1ccccc1-c1nn[n-]n1 ZINC000735664018 598493995 /nfs/dbraw/zinc/49/39/95/598493995.db2.gz DNFVRGUWCDXITJ-UHFFFAOYSA-N -1 3 315.406 2.506 20 0 DFADHM CCCO[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736488283 598503281 /nfs/dbraw/zinc/50/32/81/598503281.db2.gz NKAITYQYABEDDQ-ZDUSSCGKSA-N -1 3 319.384 2.791 20 0 DFADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736443151 598520322 /nfs/dbraw/zinc/52/03/22/598520322.db2.gz ZYXJKLGLECQVLY-DOMZBBRYSA-N -1 3 313.405 2.955 20 0 DFADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736443151 598520323 /nfs/dbraw/zinc/52/03/23/598520323.db2.gz ZYXJKLGLECQVLY-DOMZBBRYSA-N -1 3 313.405 2.955 20 0 DFADHM Cc1cc(N[C@H]2C[C@H]2C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737274989 598523568 /nfs/dbraw/zinc/52/35/68/598523568.db2.gz RZPFXVXXJBXWFA-SKDRFNHKSA-N -1 3 319.372 2.796 20 0 DFADHM Cc1cc(N[C@H]2C[C@H]2C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737274989 598523570 /nfs/dbraw/zinc/52/35/70/598523570.db2.gz RZPFXVXXJBXWFA-SKDRFNHKSA-N -1 3 319.372 2.796 20 0 DFADHM CC1(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC000736217289 598534401 /nfs/dbraw/zinc/53/44/01/598534401.db2.gz SCYWNGHALXEDQO-HJWRWDBZSA-N -1 3 311.389 2.576 20 0 DFADHM CC1(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC000736217289 598534403 /nfs/dbraw/zinc/53/44/03/598534403.db2.gz SCYWNGHALXEDQO-HJWRWDBZSA-N -1 3 311.389 2.576 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737339823 598543047 /nfs/dbraw/zinc/54/30/47/598543047.db2.gz BXVBPHUCAQNEAE-UHFFFAOYSA-N -1 3 313.386 2.509 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737339823 598543048 /nfs/dbraw/zinc/54/30/48/598543048.db2.gz BXVBPHUCAQNEAE-UHFFFAOYSA-N -1 3 313.386 2.509 20 0 DFADHM O=C(Nc1cc(F)ccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000738146257 598544786 /nfs/dbraw/zinc/54/47/86/598544786.db2.gz VQBSGGSQPQTRBV-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1cc(F)ccc1Cl)c1sccc1-c1nn[n-]n1 ZINC000738146257 598544787 /nfs/dbraw/zinc/54/47/87/598544787.db2.gz VQBSGGSQPQTRBV-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM Fc1cc(OCc2nc3ccccc3o2)ccc1-c1nnn[n-]1 ZINC000737652837 598549092 /nfs/dbraw/zinc/54/90/92/598549092.db2.gz PBSIHVVMONRCNU-UHFFFAOYSA-N -1 3 311.276 2.726 20 0 DFADHM Fc1cc(OCc2nc3ccccc3o2)ccc1-c1nn[n-]n1 ZINC000737652837 598549094 /nfs/dbraw/zinc/54/90/94/598549094.db2.gz PBSIHVVMONRCNU-UHFFFAOYSA-N -1 3 311.276 2.726 20 0 DFADHM Fc1cc(OC[C@H]2CC2(Cl)Cl)ccc1-c1nnn[n-]1 ZINC000737653830 598550546 /nfs/dbraw/zinc/55/05/46/598550546.db2.gz SQJWLBCVYHKWMT-ZCFIWIBFSA-N -1 3 303.124 2.578 20 0 DFADHM Fc1cc(OC[C@H]2CC2(Cl)Cl)ccc1-c1nn[n-]n1 ZINC000737653830 598550547 /nfs/dbraw/zinc/55/05/47/598550547.db2.gz SQJWLBCVYHKWMT-ZCFIWIBFSA-N -1 3 303.124 2.578 20 0 DFADHM Cc1ccc(C)c(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737321100 598559237 /nfs/dbraw/zinc/55/92/37/598559237.db2.gz DCKKPOUUHYQPDB-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM Cc1ccc(C)c(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737321100 598559238 /nfs/dbraw/zinc/55/92/38/598559238.db2.gz DCKKPOUUHYQPDB-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM O=C(Cc1cc2ccccc2o1)Nc1ccccc1-c1nnn[n-]1 ZINC000737954394 598572586 /nfs/dbraw/zinc/57/25/86/598572586.db2.gz LGCFLHRBUSXMOP-UHFFFAOYSA-N -1 3 319.324 2.794 20 0 DFADHM O=C(Cc1cc2ccccc2o1)Nc1ccccc1-c1nn[n-]n1 ZINC000737954394 598572587 /nfs/dbraw/zinc/57/25/87/598572587.db2.gz LGCFLHRBUSXMOP-UHFFFAOYSA-N -1 3 319.324 2.794 20 0 DFADHM COCC[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736979241 598579470 /nfs/dbraw/zinc/57/94/70/598579470.db2.gz PEBGHEPJSIIDKL-QMMMGPOBSA-N -1 3 315.299 2.722 20 0 DFADHM COCC[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736979241 598579471 /nfs/dbraw/zinc/57/94/71/598579471.db2.gz PEBGHEPJSIIDKL-QMMMGPOBSA-N -1 3 315.299 2.722 20 0 DFADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)cc1)CCO2 ZINC000737668567 598592552 /nfs/dbraw/zinc/59/25/52/598592552.db2.gz VZCPXAHQGOQQCO-AWEZNQCLSA-N -1 3 311.320 2.942 20 0 DFADHM Fc1ccccc1OCCNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737667500 598602722 /nfs/dbraw/zinc/60/27/22/598602722.db2.gz AANOIXMWLDBIKN-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1ccccc1OCCNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737667500 598602723 /nfs/dbraw/zinc/60/27/23/598602723.db2.gz AANOIXMWLDBIKN-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Cc1ccc(OCCNc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737366537 598603826 /nfs/dbraw/zinc/60/38/26/598603826.db2.gz RNKQRQVXIHCIIQ-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1ccc(OCCNc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737366537 598603827 /nfs/dbraw/zinc/60/38/27/598603827.db2.gz RNKQRQVXIHCIIQ-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736436419 598608672 /nfs/dbraw/zinc/60/86/72/598608672.db2.gz QOGBMKSONCQADT-IUODEOHRSA-N -1 3 313.405 2.955 20 0 DFADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736436419 598608674 /nfs/dbraw/zinc/60/86/74/598608674.db2.gz QOGBMKSONCQADT-IUODEOHRSA-N -1 3 313.405 2.955 20 0 DFADHM CCN(Cc1cscn1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736555057 598622886 /nfs/dbraw/zinc/62/28/86/598622886.db2.gz CQSKZATWWLCFID-NSHDSACASA-N -1 3 314.418 2.906 20 0 DFADHM CCN(Cc1cscn1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736555057 598622888 /nfs/dbraw/zinc/62/28/88/598622888.db2.gz CQSKZATWWLCFID-NSHDSACASA-N -1 3 314.418 2.906 20 0 DFADHM CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735704066 598623634 /nfs/dbraw/zinc/62/36/34/598623634.db2.gz ZNMAIVOKMIABDM-SECBINFHSA-N -1 3 306.345 2.514 20 0 DFADHM CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735704066 598623635 /nfs/dbraw/zinc/62/36/35/598623635.db2.gz ZNMAIVOKMIABDM-SECBINFHSA-N -1 3 306.345 2.514 20 0 DFADHM CCC[C@H](CC)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736421263 598627577 /nfs/dbraw/zinc/62/75/77/598627577.db2.gz AGTDQPLPPBMZPL-VIFPVBQESA-N -1 3 306.345 2.706 20 0 DFADHM CCC[C@H](CC)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736421263 598627579 /nfs/dbraw/zinc/62/75/79/598627579.db2.gz AGTDQPLPPBMZPL-VIFPVBQESA-N -1 3 306.345 2.706 20 0 DFADHM CCN(CC(C)C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736513591 598629141 /nfs/dbraw/zinc/62/91/41/598629141.db2.gz RCXBFEJTLBZXML-UHFFFAOYSA-N -1 3 306.345 2.516 20 0 DFADHM CCN(CC(C)C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736513591 598629142 /nfs/dbraw/zinc/62/91/42/598629142.db2.gz RCXBFEJTLBZXML-UHFFFAOYSA-N -1 3 306.345 2.516 20 0 DFADHM CN(Cc1ccc(F)cc1F)c1ccc(F)cc1-c1nnn[n-]1 ZINC000736820337 598631896 /nfs/dbraw/zinc/63/18/96/598631896.db2.gz VWOZIAZWXIFSBC-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM CN(Cc1ccc(F)cc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000736820337 598631897 /nfs/dbraw/zinc/63/18/97/598631897.db2.gz VWOZIAZWXIFSBC-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM Cc1ccn2cc(CNc3ccc(F)cc3-c3nnn[n-]3)nc2c1 ZINC000737437328 598634619 /nfs/dbraw/zinc/63/46/19/598634619.db2.gz URIIVKSHTDUNCO-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1ccn2cc(CNc3ccc(F)cc3-c3nn[n-]n3)nc2c1 ZINC000737437328 598634620 /nfs/dbraw/zinc/63/46/20/598634620.db2.gz URIIVKSHTDUNCO-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC000735974440 598658863 /nfs/dbraw/zinc/65/88/63/598658863.db2.gz HMUAEVIZRSDTRS-NSHDSACASA-N -1 3 314.393 2.807 20 0 DFADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC000735974440 598658865 /nfs/dbraw/zinc/65/88/65/598658865.db2.gz HMUAEVIZRSDTRS-NSHDSACASA-N -1 3 314.393 2.807 20 0 DFADHM Cc1cc(CSCc2ccc(F)cc2-c2nn[n-]n2)no1 ZINC000737264842 598695211 /nfs/dbraw/zinc/69/52/11/598695211.db2.gz QMBIXABNBZQZNY-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM Cc1cc(CSCc2ccc(F)cc2-c2nnn[n-]2)no1 ZINC000737264842 598695209 /nfs/dbraw/zinc/69/52/09/598695209.db2.gz QMBIXABNBZQZNY-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM Cc1noc([C@@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000737538780 598696792 /nfs/dbraw/zinc/69/67/92/598696792.db2.gz PKDXVVKOWRHYSS-SSDOTTSWSA-N -1 3 320.353 2.692 20 0 DFADHM Cc1noc([C@@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000737538780 598696794 /nfs/dbraw/zinc/69/67/94/598696794.db2.gz PKDXVVKOWRHYSS-SSDOTTSWSA-N -1 3 320.353 2.692 20 0 DFADHM Cc1noc([C@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000737538781 598696988 /nfs/dbraw/zinc/69/69/88/598696988.db2.gz PKDXVVKOWRHYSS-ZETCQYMHSA-N -1 3 320.353 2.692 20 0 DFADHM Cc1noc([C@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000737538781 598696990 /nfs/dbraw/zinc/69/69/90/598696990.db2.gz PKDXVVKOWRHYSS-ZETCQYMHSA-N -1 3 320.353 2.692 20 0 DFADHM CC(C)CCOC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735811070 598713467 /nfs/dbraw/zinc/71/34/67/598713467.db2.gz DVKBTXICZDKSGP-UHFFFAOYSA-N -1 3 306.391 2.548 20 0 DFADHM CC(C)CCOC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735811070 598713468 /nfs/dbraw/zinc/71/34/68/598713468.db2.gz DVKBTXICZDKSGP-UHFFFAOYSA-N -1 3 306.391 2.548 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCC(C)(C)C ZINC000737026625 598734925 /nfs/dbraw/zinc/73/49/25/598734925.db2.gz YUJBMXFRVPFAIK-UHFFFAOYSA-N -1 3 318.377 2.997 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCC(C)(C)C ZINC000737026625 598734926 /nfs/dbraw/zinc/73/49/26/598734926.db2.gz YUJBMXFRVPFAIK-UHFFFAOYSA-N -1 3 318.377 2.997 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736057095 598741194 /nfs/dbraw/zinc/74/11/94/598741194.db2.gz HCEBHVUAIGFIBK-GFCCVEGCSA-N -1 3 307.357 2.684 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736057095 598741195 /nfs/dbraw/zinc/74/11/95/598741195.db2.gz HCEBHVUAIGFIBK-GFCCVEGCSA-N -1 3 307.357 2.684 20 0 DFADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000735748564 598748277 /nfs/dbraw/zinc/74/82/77/598748277.db2.gz KWHZKFULHZNQLD-MNOVXSKESA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000735748564 598748278 /nfs/dbraw/zinc/74/82/78/598748278.db2.gz KWHZKFULHZNQLD-MNOVXSKESA-N -1 3 319.434 2.873 20 0 DFADHM CCCCS[C@@H](C)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736463418 598750124 /nfs/dbraw/zinc/75/01/24/598750124.db2.gz PHBMFMQYHZLLFC-QMMMGPOBSA-N -1 3 311.436 2.789 20 0 DFADHM CCCCS[C@@H](C)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736463418 598750126 /nfs/dbraw/zinc/75/01/26/598750126.db2.gz PHBMFMQYHZLLFC-QMMMGPOBSA-N -1 3 311.436 2.789 20 0 DFADHM Cc1nnc(N[C@H]2CCC[C@@H](C(C)C)C2)c(-c2nnn[n-]2)c1C ZINC000737522685 598757931 /nfs/dbraw/zinc/75/79/31/598757931.db2.gz WOQJYLQUHKOQMC-OLZOCXBDSA-N -1 3 315.425 2.900 20 0 DFADHM Cc1nnc(N[C@H]2CCC[C@@H](C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000737522685 598757932 /nfs/dbraw/zinc/75/79/32/598757932.db2.gz WOQJYLQUHKOQMC-OLZOCXBDSA-N -1 3 315.425 2.900 20 0 DFADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCCCC3)c2c1 ZINC000737644703 598769328 /nfs/dbraw/zinc/76/93/28/598769328.db2.gz KIUCMPSVNKOTOJ-UHFFFAOYSA-N -1 3 316.315 2.683 20 0 DFADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCCCC3)c2c1 ZINC000737644703 598769330 /nfs/dbraw/zinc/76/93/30/598769330.db2.gz KIUCMPSVNKOTOJ-UHFFFAOYSA-N -1 3 316.315 2.683 20 0 DFADHM CC(C)C[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735760897 598784858 /nfs/dbraw/zinc/78/48/58/598784858.db2.gz JSHQURDIMKDAEA-NWDGAFQWSA-N -1 3 318.377 2.612 20 0 DFADHM CC(C)C[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735760897 598784859 /nfs/dbraw/zinc/78/48/59/598784859.db2.gz JSHQURDIMKDAEA-NWDGAFQWSA-N -1 3 318.377 2.612 20 0 DFADHM CCn1c(C)cc2c1CCC[C@@H]2Nc1ncccc1-c1nnn[n-]1 ZINC000736720137 598787368 /nfs/dbraw/zinc/78/73/68/598787368.db2.gz JDEWOIUNTXBBMM-AWEZNQCLSA-N -1 3 323.404 2.881 20 0 DFADHM CCn1c(C)cc2c1CCC[C@@H]2Nc1ncccc1-c1nn[n-]n1 ZINC000736720137 598787369 /nfs/dbraw/zinc/78/73/69/598787369.db2.gz JDEWOIUNTXBBMM-AWEZNQCLSA-N -1 3 323.404 2.881 20 0 DFADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@H]1CCc2ccccc21 ZINC000738233675 598788432 /nfs/dbraw/zinc/78/84/32/598788432.db2.gz FEJULTOWZHNCJQ-INIZCTEOSA-N -1 3 320.352 2.640 20 0 DFADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@H]1CCc2ccccc21 ZINC000738233675 598788433 /nfs/dbraw/zinc/78/84/33/598788433.db2.gz FEJULTOWZHNCJQ-INIZCTEOSA-N -1 3 320.352 2.640 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCc2ccccc21 ZINC000737291074 598790794 /nfs/dbraw/zinc/79/07/94/598790794.db2.gz HEZHPSBYCXQABD-OAHLLOKOSA-N -1 3 319.368 2.844 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCc2ccccc21 ZINC000737291074 598790795 /nfs/dbraw/zinc/79/07/95/598790795.db2.gz HEZHPSBYCXQABD-OAHLLOKOSA-N -1 3 319.368 2.844 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@@H]1CCc2ccccc21 ZINC000738211878 598791149 /nfs/dbraw/zinc/79/11/49/598791149.db2.gz UNOLDUPOMGFUFL-LLVKDONJSA-N -1 3 311.370 2.597 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@@H]1CCc2ccccc21 ZINC000738211878 598791150 /nfs/dbraw/zinc/79/11/50/598791150.db2.gz UNOLDUPOMGFUFL-LLVKDONJSA-N -1 3 311.370 2.597 20 0 DFADHM C[C@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)CC(C)(C)O1 ZINC000736291298 598794095 /nfs/dbraw/zinc/79/40/95/598794095.db2.gz VEQWQMCOLDWEIY-VIFPVBQESA-N -1 3 307.785 2.524 20 0 DFADHM C[C@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)CC(C)(C)O1 ZINC000736291298 598794096 /nfs/dbraw/zinc/79/40/96/598794096.db2.gz VEQWQMCOLDWEIY-VIFPVBQESA-N -1 3 307.785 2.524 20 0 DFADHM C(=C/c1ccccc1)\CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735400545 598793912 /nfs/dbraw/zinc/79/39/12/598793912.db2.gz RSFAFCIYODVDCJ-VMPITWQZSA-N -1 3 318.384 2.876 20 0 DFADHM C(=C/c1ccccc1)\CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735400545 598793913 /nfs/dbraw/zinc/79/39/13/598793913.db2.gz RSFAFCIYODVDCJ-VMPITWQZSA-N -1 3 318.384 2.876 20 0 DFADHM CCOC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000736608833 598794130 /nfs/dbraw/zinc/79/41/30/598794130.db2.gz MUEPJEAALOPYNN-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM CCOC1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000736608833 598794131 /nfs/dbraw/zinc/79/41/31/598794131.db2.gz MUEPJEAALOPYNN-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(C)cc1F ZINC000821736217 607369122 /nfs/dbraw/zinc/36/91/22/607369122.db2.gz GYBRWOZIPOIYAV-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C)cc1F ZINC000821736217 607369124 /nfs/dbraw/zinc/36/91/24/607369124.db2.gz GYBRWOZIPOIYAV-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735648312 598805821 /nfs/dbraw/zinc/80/58/21/598805821.db2.gz PNYJDPDCJFWUDT-UHFFFAOYSA-N -1 3 322.372 2.812 20 0 DFADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735648312 598805823 /nfs/dbraw/zinc/80/58/23/598805823.db2.gz PNYJDPDCJFWUDT-UHFFFAOYSA-N -1 3 322.372 2.812 20 0 DFADHM CCC/C=C/C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736436900 598818920 /nfs/dbraw/zinc/81/89/20/598818920.db2.gz AVVWABPKJGLYCM-VOTSOKGWSA-N -1 3 313.405 2.960 20 0 DFADHM CCC/C=C/C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736436900 598818922 /nfs/dbraw/zinc/81/89/22/598818922.db2.gz AVVWABPKJGLYCM-VOTSOKGWSA-N -1 3 313.405 2.960 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1Oc1cccnc1Cl ZINC000737557529 599305842 /nfs/dbraw/zinc/30/58/42/599305842.db2.gz FQNYJYHZXWXOEB-UHFFFAOYSA-N -1 3 309.116 2.756 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC000735595029 599304936 /nfs/dbraw/zinc/30/49/36/599304936.db2.gz DIODRTQSKKHUEZ-DGCLKSJQSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC000735595029 599304938 /nfs/dbraw/zinc/30/49/38/599304938.db2.gz DIODRTQSKKHUEZ-DGCLKSJQSA-N -1 3 316.409 2.515 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737307643 599306103 /nfs/dbraw/zinc/30/61/03/599306103.db2.gz CGFVPSZLMOGQPX-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737307643 599306107 /nfs/dbraw/zinc/30/61/07/599306107.db2.gz CGFVPSZLMOGQPX-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM Cc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737360863 599325535 /nfs/dbraw/zinc/32/55/35/599325535.db2.gz CTXSPYLSHBTBNC-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737360863 599325537 /nfs/dbraw/zinc/32/55/37/599325537.db2.gz CTXSPYLSHBTBNC-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1cccc(C)c1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737391204 599325689 /nfs/dbraw/zinc/32/56/89/599325689.db2.gz WFVSJOOTHUSRAH-UHFFFAOYSA-N -1 3 309.373 2.974 20 0 DFADHM Cc1cccc(C)c1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737391204 599325693 /nfs/dbraw/zinc/32/56/93/599325693.db2.gz WFVSJOOTHUSRAH-UHFFFAOYSA-N -1 3 309.373 2.974 20 0 DFADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000820557340 599344638 /nfs/dbraw/zinc/34/46/38/599344638.db2.gz YOLJFPWKIUCOFE-SECBINFHSA-N -1 3 306.391 2.689 20 0 DFADHM CCCCCNC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000821056600 599344462 /nfs/dbraw/zinc/34/44/62/599344462.db2.gz UABHBNUFHFTFAL-NSHDSACASA-N -1 3 319.434 2.654 20 0 DFADHM CCCCCNC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000821056600 599344464 /nfs/dbraw/zinc/34/44/64/599344464.db2.gz UABHBNUFHFTFAL-NSHDSACASA-N -1 3 319.434 2.654 20 0 DFADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000820557340 599344641 /nfs/dbraw/zinc/34/46/41/599344641.db2.gz YOLJFPWKIUCOFE-SECBINFHSA-N -1 3 306.391 2.689 20 0 DFADHM CCCCc1noc(CSc2ccccc2-c2nnn[n-]2)n1 ZINC000821083481 599349669 /nfs/dbraw/zinc/34/96/69/599349669.db2.gz ZRPCKMHTSMYYJK-UHFFFAOYSA-N -1 3 316.390 2.885 20 0 DFADHM CCCCc1noc(CSc2ccccc2-c2nn[n-]n2)n1 ZINC000821083481 599349672 /nfs/dbraw/zinc/34/96/72/599349672.db2.gz ZRPCKMHTSMYYJK-UHFFFAOYSA-N -1 3 316.390 2.885 20 0 DFADHM C[C@H]1CCCN(c2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000736276371 599361109 /nfs/dbraw/zinc/36/11/09/599361109.db2.gz GTSIJBQLOVBTLZ-VIFPVBQESA-N -1 3 322.210 2.866 20 0 DFADHM C[C@H]1CCCN(c2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000736276371 599361112 /nfs/dbraw/zinc/36/11/12/599361112.db2.gz GTSIJBQLOVBTLZ-VIFPVBQESA-N -1 3 322.210 2.866 20 0 DFADHM C[C@H](Nc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461596 599365313 /nfs/dbraw/zinc/36/53/13/599365313.db2.gz NMBNLSHPDJZCHA-NSHDSACASA-N -1 3 307.357 2.975 20 0 DFADHM C[C@H](Nc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461596 599365316 /nfs/dbraw/zinc/36/53/16/599365316.db2.gz NMBNLSHPDJZCHA-NSHDSACASA-N -1 3 307.357 2.975 20 0 DFADHM c1cc(-c2nnn[n-]2)oc1CN[C@H]1CCSc2ccccc21 ZINC000823802458 599394918 /nfs/dbraw/zinc/39/49/18/599394918.db2.gz PERSBOIHBNWNKY-LBPRGKRZSA-N -1 3 313.386 2.786 20 0 DFADHM Cc1ccnc(N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)n1 ZINC000737437741 599419856 /nfs/dbraw/zinc/41/98/56/599419856.db2.gz QAUIONLMORTMRV-UHFFFAOYSA-N -1 3 323.404 2.628 20 0 DFADHM Cc1ccnc(N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)n1 ZINC000737437741 599419857 /nfs/dbraw/zinc/41/98/57/599419857.db2.gz QAUIONLMORTMRV-UHFFFAOYSA-N -1 3 323.404 2.628 20 0 DFADHM CCC(CC)CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820892905 599436292 /nfs/dbraw/zinc/43/62/92/599436292.db2.gz GVGCLWOYIPWWFM-LLVKDONJSA-N -1 3 316.409 2.663 20 0 DFADHM CCC(CC)CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820892905 599436294 /nfs/dbraw/zinc/43/62/94/599436294.db2.gz GVGCLWOYIPWWFM-LLVKDONJSA-N -1 3 316.409 2.663 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CSCC1CCOCC1 ZINC000737641944 599452497 /nfs/dbraw/zinc/45/24/97/599452497.db2.gz ZOUURBBZWMGYAA-UHFFFAOYSA-N -1 3 308.382 2.666 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CSCC1CCOCC1 ZINC000737641944 599452498 /nfs/dbraw/zinc/45/24/98/599452498.db2.gz ZOUURBBZWMGYAA-UHFFFAOYSA-N -1 3 308.382 2.666 20 0 DFADHM Cc1n[nH]cc1CCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822015534 599470028 /nfs/dbraw/zinc/47/00/28/599470028.db2.gz MEQITIKGNXJJRY-UHFFFAOYSA-N -1 3 317.784 2.596 20 0 DFADHM Fc1cccc(OCCNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822792220 599472854 /nfs/dbraw/zinc/47/28/54/599472854.db2.gz RPXKWXBRFSHNSY-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1cccc(OCCNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822792220 599472856 /nfs/dbraw/zinc/47/28/56/599472856.db2.gz RPXKWXBRFSHNSY-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM c1cc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cs1 ZINC000823797823 599475642 /nfs/dbraw/zinc/47/56/42/599475642.db2.gz SXNHXDKKMQKDTF-UHFFFAOYSA-N -1 3 308.370 2.510 20 0 DFADHM c1cc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cs1 ZINC000823797823 599475644 /nfs/dbraw/zinc/47/56/44/599475644.db2.gz SXNHXDKKMQKDTF-UHFFFAOYSA-N -1 3 308.370 2.510 20 0 DFADHM CC(C)CCN(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820072484 599476940 /nfs/dbraw/zinc/47/69/40/599476940.db2.gz HMRVLCHTNUEYCS-LBPRGKRZSA-N -1 3 316.409 2.615 20 0 DFADHM CC(C)CCN(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820072484 599476942 /nfs/dbraw/zinc/47/69/42/599476942.db2.gz HMRVLCHTNUEYCS-LBPRGKRZSA-N -1 3 316.409 2.615 20 0 DFADHM Cc1ccccc1CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822352463 599507942 /nfs/dbraw/zinc/50/79/42/599507942.db2.gz ZYJNQJIVTBLFCN-CYBMUJFWSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1ccccc1CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822352463 599507943 /nfs/dbraw/zinc/50/79/43/599507943.db2.gz ZYJNQJIVTBLFCN-CYBMUJFWSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)o1 ZINC000822167842 599513409 /nfs/dbraw/zinc/51/34/09/599513409.db2.gz JHRMYVSEDDOHTN-JTQLQIEISA-N -1 3 311.345 2.568 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC000822167842 599513411 /nfs/dbraw/zinc/51/34/11/599513411.db2.gz JHRMYVSEDDOHTN-JTQLQIEISA-N -1 3 311.345 2.568 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822226592 599515742 /nfs/dbraw/zinc/51/57/42/599515742.db2.gz ZJQOQQVHSHJQDG-SNVBAGLBSA-N -1 3 313.386 2.728 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822226592 599515743 /nfs/dbraw/zinc/51/57/43/599515743.db2.gz ZJQOQQVHSHJQDG-SNVBAGLBSA-N -1 3 313.386 2.728 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000737334366 599528187 /nfs/dbraw/zinc/52/81/87/599528187.db2.gz GOJASXGQHZHBFF-VIFPVBQESA-N -1 3 300.391 2.675 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000737334366 599528191 /nfs/dbraw/zinc/52/81/91/599528191.db2.gz GOJASXGQHZHBFF-VIFPVBQESA-N -1 3 300.391 2.675 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737420218 599529237 /nfs/dbraw/zinc/52/92/37/599529237.db2.gz DJJINCWSLMJAID-ZFWWWQNUSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737420218 599529239 /nfs/dbraw/zinc/52/92/39/599529239.db2.gz DJJINCWSLMJAID-ZFWWWQNUSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(C[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737336160 599530978 /nfs/dbraw/zinc/53/09/78/599530978.db2.gz YFPZQUFXLVNLSI-CYBMUJFWSA-N -1 3 308.389 2.638 20 0 DFADHM Cc1ccc(C[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737336160 599530981 /nfs/dbraw/zinc/53/09/81/599530981.db2.gz YFPZQUFXLVNLSI-CYBMUJFWSA-N -1 3 308.389 2.638 20 0 DFADHM Fc1ccc(N[C@@H]2CCN(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822778484 599543109 /nfs/dbraw/zinc/54/31/09/599543109.db2.gz IYGHYHVVDIUMFY-CYBMUJFWSA-N -1 3 324.363 2.697 20 0 DFADHM Fc1ccc(N[C@@H]2CCN(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822778484 599543111 /nfs/dbraw/zinc/54/31/11/599543111.db2.gz IYGHYHVVDIUMFY-CYBMUJFWSA-N -1 3 324.363 2.697 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1cccs1 ZINC000737288944 599545100 /nfs/dbraw/zinc/54/51/00/599545100.db2.gz NFCFZKIICJFDJU-SNVBAGLBSA-N -1 3 313.386 2.979 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1cccs1 ZINC000737288944 599545101 /nfs/dbraw/zinc/54/51/01/599545101.db2.gz NFCFZKIICJFDJU-SNVBAGLBSA-N -1 3 313.386 2.979 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000823359339 599554116 /nfs/dbraw/zinc/55/41/16/599554116.db2.gz LZCQJHSVNOJJBW-BXUZGUMPSA-N -1 3 312.377 2.663 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000823359339 599554117 /nfs/dbraw/zinc/55/41/17/599554117.db2.gz LZCQJHSVNOJJBW-BXUZGUMPSA-N -1 3 312.377 2.663 20 0 DFADHM CC(C)c1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)no1 ZINC000820187914 599554138 /nfs/dbraw/zinc/55/41/38/599554138.db2.gz YRZUAIUBOBMZHU-UHFFFAOYSA-N -1 3 313.321 2.622 20 0 DFADHM CC(C)c1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)no1 ZINC000820187914 599554140 /nfs/dbraw/zinc/55/41/40/599554140.db2.gz YRZUAIUBOBMZHU-UHFFFAOYSA-N -1 3 313.321 2.622 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CC=CCC1 ZINC000822335262 599565245 /nfs/dbraw/zinc/56/52/45/599565245.db2.gz 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/nfs/dbraw/zinc/60/67/59/599606759.db2.gz QDBPHLAXACRSRR-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CC(C)(C)CCC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000735603918 599606761 /nfs/dbraw/zinc/60/67/61/599606761.db2.gz QDBPHLAXACRSRR-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM Cc1sc(NC(=O)c2cncc(C)c2)c(-c2nnn[n-]2)c1C ZINC000822399381 599628830 /nfs/dbraw/zinc/62/88/30/599628830.db2.gz FKEFDVAZDBUWFW-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM Cc1sc(NC(=O)c2cncc(C)c2)c(-c2nn[n-]n2)c1C ZINC000822399381 599628831 /nfs/dbraw/zinc/62/88/31/599628831.db2.gz FKEFDVAZDBUWFW-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)C(F)(F)F)s1 ZINC000821466667 599630526 /nfs/dbraw/zinc/63/05/26/599630526.db2.gz YSNBOWYQLSNAJQ-RXMQYKEDSA-N -1 3 319.312 2.628 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)C(F)(F)F)s1 ZINC000821466667 599630527 /nfs/dbraw/zinc/63/05/27/599630527.db2.gz YSNBOWYQLSNAJQ-RXMQYKEDSA-N -1 3 319.312 2.628 20 0 DFADHM CCCCC[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000821050269 599631045 /nfs/dbraw/zinc/63/10/45/599631045.db2.gz QDBLMJDWQAKHJC-NSHDSACASA-N -1 3 302.382 2.807 20 0 DFADHM CCCCC[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000821050269 599631046 /nfs/dbraw/zinc/63/10/46/599631046.db2.gz QDBLMJDWQAKHJC-NSHDSACASA-N -1 3 302.382 2.807 20 0 DFADHM C[C@@H]1CCC[C@H](C)N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736251474 599655858 /nfs/dbraw/zinc/65/58/58/599655858.db2.gz OQSTYLAVXVUHTN-CJDUFDDJSA-N -1 3 311.389 2.669 20 0 DFADHM C[C@@H]1CCC[C@H](C)N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736251474 599655859 /nfs/dbraw/zinc/65/58/59/599655859.db2.gz OQSTYLAVXVUHTN-CJDUFDDJSA-N -1 3 311.389 2.669 20 0 DFADHM CO[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)C(C)(C)C ZINC000821676672 599687284 /nfs/dbraw/zinc/68/72/84/599687284.db2.gz DLWSBLHVDUSTJB-NSHDSACASA-N -1 3 309.801 2.993 20 0 DFADHM CO[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)C(C)(C)C ZINC000821676672 599687285 /nfs/dbraw/zinc/68/72/85/599687285.db2.gz DLWSBLHVDUSTJB-NSHDSACASA-N -1 3 309.801 2.993 20 0 DFADHM Cc1nc(C)c(-c2nnn[n-]2)c(SC/C(Cl)=C/Cl)n1 ZINC000822427806 599697568 /nfs/dbraw/zinc/69/75/68/599697568.db2.gz VPNTYVVWOQAOGZ-CLTKARDFSA-N -1 3 317.205 2.685 20 0 DFADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820967917 599693368 /nfs/dbraw/zinc/69/33/68/599693368.db2.gz YNJBWMBDLHNHSI-ONGXEEELSA-N -1 3 318.356 2.658 20 0 DFADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820967917 599693369 /nfs/dbraw/zinc/69/33/69/599693369.db2.gz YNJBWMBDLHNHSI-ONGXEEELSA-N -1 3 318.356 2.658 20 0 DFADHM CN(Cc1ccc2c(c1)OCO2)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737487744 599709654 /nfs/dbraw/zinc/70/96/54/599709654.db2.gz UBGFFGZRGBVFOG-INIZCTEOSA-N -1 3 317.316 2.812 20 0 DFADHM CC(=O)Nc1cccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000736168342 599709811 /nfs/dbraw/zinc/70/98/11/599709811.db2.gz SJKQKCBIINODGC-GOSISDBHSA-N -1 3 324.380 2.657 20 0 DFADHM O=C([O-])C[C@H]1CCCCN1Cn1cnc2cc(F)c(F)cc21 ZINC000739640128 599840500 /nfs/dbraw/zinc/84/05/00/599840500.db2.gz QQIVNEFQYSCYFC-SNVBAGLBSA-N -1 3 309.316 2.601 20 0 DFADHM CC[C@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820863974 607402586 /nfs/dbraw/zinc/40/25/86/607402586.db2.gz WQMAKQBZSACISP-JTQLQIEISA-N -1 3 303.366 2.639 20 0 DFADHM CC[C@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820863974 607402587 /nfs/dbraw/zinc/40/25/87/607402587.db2.gz WQMAKQBZSACISP-JTQLQIEISA-N -1 3 303.366 2.639 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736776715 599928635 /nfs/dbraw/zinc/92/86/35/599928635.db2.gz XCRWDUVSMMOMBV-CHWSQXEVSA-N -1 3 319.405 2.656 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1CC12CCCC2 ZINC000826253369 607408228 /nfs/dbraw/zinc/40/82/28/607408228.db2.gz NKCOHWXNOYZHLX-CQSZACIVSA-N -1 3 312.373 2.799 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1CC12CCCC2 ZINC000826253369 607408230 /nfs/dbraw/zinc/40/82/30/607408230.db2.gz NKCOHWXNOYZHLX-CQSZACIVSA-N -1 3 312.373 2.799 20 0 DFADHM CCN(CC)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821175065 607426585 /nfs/dbraw/zinc/42/65/85/607426585.db2.gz BRQCTZYYKFDBGF-UHFFFAOYSA-N -1 3 318.381 2.528 20 0 DFADHM CCN(CC)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821175065 607426587 /nfs/dbraw/zinc/42/65/87/607426587.db2.gz BRQCTZYYKFDBGF-UHFFFAOYSA-N -1 3 318.381 2.528 20 0 DFADHM CC(C)N(CCC(=O)[O-])CC(=O)N1c2ccccc2CC[C@H]1C ZINC000736466346 600223285 /nfs/dbraw/zinc/22/32/85/600223285.db2.gz WLVAWLMRFCVKJK-CQSZACIVSA-N -1 3 318.417 2.539 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)N1CCCCCC1 ZINC000736216602 600293697 /nfs/dbraw/zinc/29/36/97/600293697.db2.gz SDDVSVLGUKSJGM-ZDUSSCGKSA-N -1 3 319.405 2.657 20 0 DFADHM CCC[C@@](C)(NCc1cnn(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000736961912 600320268 /nfs/dbraw/zinc/32/02/68/600320268.db2.gz FITIBDVYFSBTHO-OAHLLOKOSA-N -1 3 322.796 2.654 20 0 DFADHM CCCCCCN(C)CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736984364 600364024 /nfs/dbraw/zinc/36/40/24/600364024.db2.gz 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607467034 /nfs/dbraw/zinc/46/70/34/607467034.db2.gz FWKMPAYDASLICB-MRVPVSSYSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1nc([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000822427238 607467037 /nfs/dbraw/zinc/46/70/37/607467037.db2.gz FWKMPAYDASLICB-MRVPVSSYSA-N -1 3 318.381 2.622 20 0 DFADHM CN(C)Cc1cccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000737370197 600802124 /nfs/dbraw/zinc/80/21/24/600802124.db2.gz GPRLZJBOTKDOEC-MRXNPFEDSA-N -1 3 324.380 2.577 20 0 DFADHM CN(C(=O)CN1CCC[C@H]2CCC[C@H]21)c1ccccc1C(=O)[O-] ZINC000830485408 600833863 /nfs/dbraw/zinc/83/38/63/600833863.db2.gz FLIQQIVRSJPFPM-UKRRQHHQSA-N -1 3 316.401 2.612 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(CN(C)C)c1 ZINC000832941750 600839410 /nfs/dbraw/zinc/83/94/10/600839410.db2.gz MMHVWHZIQDMSPZ-UONOGXRCSA-N -1 3 318.417 2.886 20 0 DFADHM CN(C)CCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000830604560 600944897 /nfs/dbraw/zinc/94/48/97/600944897.db2.gz QXGLLNPFUWKPSM-GJZGRUSLSA-N -1 3 324.465 2.600 20 0 DFADHM Cc1cnn([C@@H]2CCCN([C@H](C(=O)[O-])c3ccccc3F)C2)c1 ZINC000832987387 601002459 /nfs/dbraw/zinc/00/24/59/601002459.db2.gz QYFNZGFECZBEFY-CJNGLKHVSA-N -1 3 317.364 2.793 20 0 DFADHM Cc1cnn([C@H]2CCCN([C@H](C(=O)[O-])c3ccccc3F)C2)c1 ZINC000832987386 601002550 /nfs/dbraw/zinc/00/25/50/601002550.db2.gz QYFNZGFECZBEFY-BBRMVZONSA-N -1 3 317.364 2.793 20 0 DFADHM O=C([O-])c1cccc(NC(=O)CN2CCC[C@H]3CCC[C@H]32)c1 ZINC000833106447 601017551 /nfs/dbraw/zinc/01/75/51/601017551.db2.gz SUDRSNMFAIFGJH-IUODEOHRSA-N -1 3 302.374 2.588 20 0 DFADHM Cc1cccc(F)c1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000822308586 607483922 /nfs/dbraw/zinc/48/39/22/607483922.db2.gz HTUCGWXELKXRCQ-UHFFFAOYSA-N -1 3 315.327 2.743 20 0 DFADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@H](C)CC1(C)C ZINC000832916480 601121491 /nfs/dbraw/zinc/12/14/91/601121491.db2.gz QCLVZXKHILRNFD-LLVKDONJSA-N -1 3 304.390 2.752 20 0 DFADHM COC[C@](C)(CC(=O)[O-])NCc1c(Cl)ccc2cccnc21 ZINC000831578201 601135428 /nfs/dbraw/zinc/13/54/28/601135428.db2.gz MFFLUGHXVNXSOT-INIZCTEOSA-N -1 3 322.792 2.858 20 0 DFADHM COc1cccc(CN(C/C=C(\C)C(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000832549025 601159781 /nfs/dbraw/zinc/15/97/81/601159781.db2.gz GRFPWLMKTVPBKM-AAKUMTKESA-N -1 3 319.401 2.707 20 0 DFADHM COc1ccc(CN(C)c2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000826192946 607492991 /nfs/dbraw/zinc/49/29/91/607492991.db2.gz JKOMEHKDHFJSKR-UHFFFAOYSA-N -1 3 309.373 2.820 20 0 DFADHM COc1ccc(CN(C)c2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000826192946 607492992 /nfs/dbraw/zinc/49/29/92/607492992.db2.gz JKOMEHKDHFJSKR-UHFFFAOYSA-N -1 3 309.373 2.820 20 0 DFADHM C/C(=C\CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1)C(=O)[O-] ZINC000825741818 601177793 /nfs/dbraw/zinc/17/77/93/601177793.db2.gz SSRAGHMSDWHKCS-WXLQGSQKSA-N -1 3 317.311 2.639 20 0 DFADHM C[C@H]1c2ccc(F)cc2CCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825027952 607502549 /nfs/dbraw/zinc/50/25/49/607502549.db2.gz AFDBJCKTSXGDAX-NSHDSACASA-N -1 3 324.363 2.520 20 0 DFADHM C[C@H]1c2ccc(F)cc2CCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825027952 607502550 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ZINC000826339146 607734543 /nfs/dbraw/zinc/73/45/43/607734543.db2.gz SPVFTZUNCUEHSK-QMMMGPOBSA-N -1 3 316.340 2.826 20 0 DFADHM Cn1ccnc1C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000833760382 605116612 /nfs/dbraw/zinc/11/66/12/605116612.db2.gz PLTULNIBZXEOGA-HNNXBMFYSA-N -1 3 324.384 2.520 20 0 DFADHM Cc1nn(C)cc1[C@@H](C)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830864405 605119587 /nfs/dbraw/zinc/11/95/87/605119587.db2.gz FCDMJYLPLGDZPH-VXGBXAGGSA-N -1 3 316.405 2.908 20 0 DFADHM CC(C)C[C@@H](NC(=O)CN[C@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC000833481264 605139732 /nfs/dbraw/zinc/13/97/32/605139732.db2.gz LBOUMBXZQYLZPW-WBVHZDCISA-N -1 3 320.433 2.589 20 0 DFADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cccc3nsnc32)C1 ZINC000825262263 605161288 /nfs/dbraw/zinc/16/12/88/605161288.db2.gz ABNWKMYCYIMIAN-GHMZBOCLSA-N -1 3 320.418 2.559 20 0 DFADHM C[C@@]1(NCc2nnc(C3CC3)n2C2CC2)CCCC[C@@H]1C(=O)[O-] ZINC000833571453 605267688 /nfs/dbraw/zinc/26/76/88/605267688.db2.gz ZTOXYKRDBIHHMP-CXAGYDPISA-N -1 3 318.421 2.614 20 0 DFADHM CCc1ccc([C@@H](C)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000833668723 605290125 /nfs/dbraw/zinc/29/01/25/605290125.db2.gz BKOPQMGZPRVOTC-CJNGLKHVSA-N -1 3 320.433 2.515 20 0 DFADHM CC(C)(CCCO)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824152838 608243897 /nfs/dbraw/zinc/24/38/97/608243897.db2.gz PLEXPMBXGMGBLN-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CC1=C(C(=O)[O-])C[C@@H](CNC2(c3nccs3)CCCC2)O1 ZINC000833581212 605363210 /nfs/dbraw/zinc/36/32/10/605363210.db2.gz VGMPXZRCOMJHGY-NSHDSACASA-N -1 3 308.403 2.650 20 0 DFADHM Cc1ncsc1CN1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000833918957 605470772 /nfs/dbraw/zinc/47/07/72/605470772.db2.gz XJYWUATZLKXWNQ-OLZOCXBDSA-N -1 3 309.435 2.806 20 0 DFADHM CCCN(Cc1ccn(C(C)C)n1)C1CCN(C(=O)[O-])CC1 ZINC000826912400 605472629 /nfs/dbraw/zinc/47/26/29/605472629.db2.gz ZFRAGQSCNMGCHK-UHFFFAOYSA-N -1 3 308.426 2.818 20 0 DFADHM O=C([O-])NC[C@@H]1CCCC[C@H]1NCc1nc(C2CC2)cs1 ZINC000834221837 605644521 /nfs/dbraw/zinc/64/45/21/605644521.db2.gz LQKOKYBAMBGCMU-NWDGAFQWSA-N -1 3 309.435 2.937 20 0 DFADHM C[C@H](O)[C@@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000833530617 605695464 /nfs/dbraw/zinc/69/54/64/605695464.db2.gz WWDDUKIWYONTFG-IGJMFERPSA-N -1 3 318.200 2.822 20 0 DFADHM O=C([O-])N1CC(CNCc2ccc(Oc3ccccc3)o2)C1 ZINC000834068955 605758129 /nfs/dbraw/zinc/75/81/29/605758129.db2.gz KJNJVOWCVDZAKY-UHFFFAOYSA-N -1 3 302.330 2.771 20 0 DFADHM Cc1noc(C)c1CN[C@H](Cc1ccccc1)[C@H](C)NC(=O)[O-] ZINC000833931325 605786534 /nfs/dbraw/zinc/78/65/34/605786534.db2.gz BVYUOPRNTFLBTA-BLLLJJGKSA-N -1 3 317.389 2.648 20 0 DFADHM Cc1noc(C)c1CN[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)[O-] ZINC000833931329 605786778 /nfs/dbraw/zinc/78/67/78/605786778.db2.gz BVYUOPRNTFLBTA-WBMJQRKESA-N -1 3 317.389 2.648 20 0 DFADHM Cc1cccnc1CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000833911453 605805957 /nfs/dbraw/zinc/80/59/57/605805957.db2.gz VRLRNXYXAMQKRK-HZPDHXFCSA-N -1 3 303.406 2.887 20 0 DFADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cn(C)nc2C(C)(C)C)C1 ZINC000833813713 605992951 /nfs/dbraw/zinc/99/29/51/605992951.db2.gz QBLDVBYXTLKGCC-QWHCGFSZSA-N -1 3 322.453 2.586 20 0 DFADHM C[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820321567 606025029 /nfs/dbraw/zinc/02/50/29/606025029.db2.gz IMIPIOVYGLDHHW-SNVBAGLBSA-N -1 3 313.405 2.726 20 0 DFADHM C[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820321567 606025033 /nfs/dbraw/zinc/02/50/33/606025033.db2.gz IMIPIOVYGLDHHW-SNVBAGLBSA-N -1 3 313.405 2.726 20 0 DFADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000820455533 606025277 /nfs/dbraw/zinc/02/52/77/606025277.db2.gz JHOIWHNGWBQBQD-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000820455533 606025281 /nfs/dbraw/zinc/02/52/81/606025281.db2.gz JHOIWHNGWBQBQD-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM CC(C)c1csc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820198454 606053600 /nfs/dbraw/zinc/05/36/00/606053600.db2.gz 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Cc1cnc([C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C2CC2)s1 ZINC000822389034 606092122 /nfs/dbraw/zinc/09/21/22/606092122.db2.gz JFOLVJBGVOGVOJ-LBPRGKRZSA-N -1 3 313.390 2.590 20 0 DFADHM Cc1cnc([C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C2CC2)s1 ZINC000822389034 606092126 /nfs/dbraw/zinc/09/21/26/606092126.db2.gz JFOLVJBGVOGVOJ-LBPRGKRZSA-N -1 3 313.390 2.590 20 0 DFADHM CCC(C)(C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820848184 606114974 /nfs/dbraw/zinc/11/49/74/606114974.db2.gz SQESERFGEXJSTM-UHFFFAOYSA-N -1 3 308.773 2.830 20 0 DFADHM CCC(C)(C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820848184 606114975 /nfs/dbraw/zinc/11/49/75/606114975.db2.gz SQESERFGEXJSTM-UHFFFAOYSA-N -1 3 308.773 2.830 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)CC ZINC000821406492 606115784 /nfs/dbraw/zinc/11/57/84/606115784.db2.gz GGNJWAZRHRINCV-UHFFFAOYSA-N -1 3 318.381 2.576 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)CC ZINC000821406492 606115786 /nfs/dbraw/zinc/11/57/86/606115786.db2.gz GGNJWAZRHRINCV-UHFFFAOYSA-N -1 3 318.381 2.576 20 0 DFADHM Cc1cc(C)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000822193974 606140143 /nfs/dbraw/zinc/14/01/43/606140143.db2.gz CDSGYRQAXIDGRR-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000822193974 606140144 /nfs/dbraw/zinc/14/01/44/606140144.db2.gz CDSGYRQAXIDGRR-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCOCc2ccccc2)n1 ZINC000822193120 606142587 /nfs/dbraw/zinc/14/25/87/606142587.db2.gz MBXODKNEPRECHL-UHFFFAOYSA-N -1 3 324.388 2.507 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCOCc2ccccc2)n1 ZINC000822193120 606142588 /nfs/dbraw/zinc/14/25/88/606142588.db2.gz MBXODKNEPRECHL-UHFFFAOYSA-N -1 3 324.388 2.507 20 0 DFADHM Fc1ccc(NCCOCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000822778271 606142833 /nfs/dbraw/zinc/14/28/33/606142833.db2.gz HASNPSFJEYJEGA-UHFFFAOYSA-N -1 3 313.336 2.635 20 0 DFADHM Fc1ccc(NCCOCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000822778271 606142835 /nfs/dbraw/zinc/14/28/35/606142835.db2.gz HASNPSFJEYJEGA-UHFFFAOYSA-N -1 3 313.336 2.635 20 0 DFADHM O=[S@@](Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCC2 ZINC000823614015 606156437 /nfs/dbraw/zinc/15/64/37/606156437.db2.gz OBONTDLAURDRNY-QHCPKHFHSA-N -1 3 324.409 2.663 20 0 DFADHM O=[S@@](Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCC2 ZINC000823614015 606156439 /nfs/dbraw/zinc/15/64/39/606156439.db2.gz OBONTDLAURDRNY-QHCPKHFHSA-N -1 3 324.409 2.663 20 0 DFADHM CC(C)c1ccccc1OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820197183 606209952 /nfs/dbraw/zinc/20/99/52/606209952.db2.gz HAUTXZWEZPAHCC-UHFFFAOYSA-N -1 3 311.345 2.548 20 0 DFADHM CC(C)c1ccccc1OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820197183 606209954 /nfs/dbraw/zinc/20/99/54/606209954.db2.gz HAUTXZWEZPAHCC-UHFFFAOYSA-N -1 3 311.345 2.548 20 0 DFADHM Oc1ccc(CCNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000823727122 606216175 /nfs/dbraw/zinc/21/61/75/606216175.db2.gz OYYZKXXDIJCOQN-UHFFFAOYSA-N -1 3 315.764 2.880 20 0 DFADHM Oc1ccc(CCNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000823727122 606216177 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ZINC000820607392 606230684 /nfs/dbraw/zinc/23/06/84/606230684.db2.gz SMNKAAFNJLDCFR-UHFFFAOYSA-N -1 3 309.826 2.852 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1Sc1ncc(Cl)cn1 ZINC000822748177 606240585 /nfs/dbraw/zinc/24/05/85/606240585.db2.gz LPCAEMZOIJCDMK-UHFFFAOYSA-N -1 3 308.729 2.600 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1Sc1ncc(Cl)cn1 ZINC000822748177 606240586 /nfs/dbraw/zinc/24/05/86/606240586.db2.gz LPCAEMZOIJCDMK-UHFFFAOYSA-N -1 3 308.729 2.600 20 0 DFADHM C[C@]1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC[C@H]1O ZINC000820623109 606243136 /nfs/dbraw/zinc/24/31/36/606243136.db2.gz FKAOWTBPMOBQLL-UKRRQHHQSA-N -1 3 321.812 2.873 20 0 DFADHM C[C@]1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC[C@H]1O ZINC000820623109 606243138 /nfs/dbraw/zinc/24/31/38/606243138.db2.gz FKAOWTBPMOBQLL-UKRRQHHQSA-N -1 3 321.812 2.873 20 0 DFADHM Cc1ccc([C@H](C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000822227660 606273840 /nfs/dbraw/zinc/27/38/40/606273840.db2.gz QQVMQFSCTIZXSQ-VIFPVBQESA-N -1 3 315.308 2.649 20 0 DFADHM Cc1ccc([C@H](C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000822227660 606273841 /nfs/dbraw/zinc/27/38/41/606273841.db2.gz QQVMQFSCTIZXSQ-VIFPVBQESA-N -1 3 315.308 2.649 20 0 DFADHM CC(C)=C(C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820005658 606282505 /nfs/dbraw/zinc/28/25/05/606282505.db2.gz VIBNXFFOJPVMBW-UHFFFAOYSA-N -1 3 313.405 2.960 20 0 DFADHM CC(C)=C(C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820005658 606282507 /nfs/dbraw/zinc/28/25/07/606282507.db2.gz VIBNXFFOJPVMBW-UHFFFAOYSA-N -1 3 313.405 2.960 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CC=CC1 ZINC000821119393 606283010 /nfs/dbraw/zinc/28/30/10/606283010.db2.gz YMZVDVKSTYBSLE-UHFFFAOYSA-N -1 3 312.377 2.593 20 0 DFADHM C[C@@H](c1ccccc1)N(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC000820562808 606316098 /nfs/dbraw/zinc/31/60/98/606316098.db2.gz JACMLENDZALHFD-NSHDSACASA-N -1 3 322.372 2.561 20 0 DFADHM C[C@@H](c1ccccc1)N(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC000820562808 606316100 /nfs/dbraw/zinc/31/61/00/606316100.db2.gz JACMLENDZALHFD-NSHDSACASA-N -1 3 322.372 2.561 20 0 DFADHM CCc1nnc([C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821516748 606325514 /nfs/dbraw/zinc/32/55/14/606325514.db2.gz BLGZSZBXTBODKC-MRVPVSSYSA-N -1 3 302.363 2.665 20 0 DFADHM CCc1nnc([C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821516748 606325516 /nfs/dbraw/zinc/32/55/16/606325516.db2.gz BLGZSZBXTBODKC-MRVPVSSYSA-N -1 3 302.363 2.665 20 0 DFADHM CSCCCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821962719 606346817 /nfs/dbraw/zinc/34/68/17/606346817.db2.gz WDVFRYBOYJMBSB-JTQLQIEISA-N -1 3 306.391 2.614 20 0 DFADHM CSCCCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821962719 606346818 /nfs/dbraw/zinc/34/68/18/606346818.db2.gz WDVFRYBOYJMBSB-JTQLQIEISA-N -1 3 306.391 2.614 20 0 DFADHM CCCCSCC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000821077605 606373833 /nfs/dbraw/zinc/37/38/33/606373833.db2.gz NDINIZKHQXSBKT-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM CCCCSCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000821077605 606373835 /nfs/dbraw/zinc/37/38/35/606373835.db2.gz NDINIZKHQXSBKT-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM Clc1ccccc1CNCc1ccc(-c2nnn[n-]2)s1 ZINC000822585561 606404971 /nfs/dbraw/zinc/40/49/71/606404971.db2.gz FEGQPNAMSFEIEO-UHFFFAOYSA-N -1 3 305.794 2.871 20 0 DFADHM Cc1csc([C@@H](C)NCc2ccc(-c3nnn[n-]3)s2)n1 ZINC000822408788 606417310 /nfs/dbraw/zinc/41/73/10/606417310.db2.gz IECPMTQRQOVETI-MRVPVSSYSA-N -1 3 306.420 2.544 20 0 DFADHM Cc1csc([C@@H](C)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC000822408788 606417312 /nfs/dbraw/zinc/41/73/12/606417312.db2.gz IECPMTQRQOVETI-MRVPVSSYSA-N -1 3 306.420 2.544 20 0 DFADHM CC(C)[C@H]1OCCC[C@H]1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000820051254 606426676 /nfs/dbraw/zinc/42/66/76/606426676.db2.gz LQMBVGZUQMDUJA-XHDPSFHLSA-N -1 3 319.384 2.869 20 0 DFADHM CC(C)[C@H]1OCCC[C@H]1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000820051254 606426678 /nfs/dbraw/zinc/42/66/78/606426678.db2.gz LQMBVGZUQMDUJA-XHDPSFHLSA-N -1 3 319.384 2.869 20 0 DFADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000820051131 606427054 /nfs/dbraw/zinc/42/70/54/606427054.db2.gz LQMBVGZUQMDUJA-ABAIWWIYSA-N -1 3 319.384 2.869 20 0 DFADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000820051131 606427056 /nfs/dbraw/zinc/42/70/56/606427056.db2.gz LQMBVGZUQMDUJA-ABAIWWIYSA-N -1 3 319.384 2.869 20 0 DFADHM CC[C@H](CNc1ccc(-c2nnn[n-]2)nc1)Oc1cccc(C)c1 ZINC000820909665 606427335 /nfs/dbraw/zinc/42/73/35/606427335.db2.gz ZOIHTBKSFMNEOO-CQSZACIVSA-N -1 3 324.388 2.840 20 0 DFADHM CC[C@H](CNc1ccc(-c2nn[n-]n2)nc1)Oc1cccc(C)c1 ZINC000820909665 606427336 /nfs/dbraw/zinc/42/73/36/606427336.db2.gz ZOIHTBKSFMNEOO-CQSZACIVSA-N -1 3 324.388 2.840 20 0 DFADHM CCCCC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC000821049911 606429806 /nfs/dbraw/zinc/42/98/06/606429806.db2.gz NUWYDZCJRSISLW-GFCCVEGCSA-N -1 3 321.356 2.540 20 0 DFADHM CCCCC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)C(=O)OC ZINC000821049911 606429808 /nfs/dbraw/zinc/42/98/08/606429808.db2.gz NUWYDZCJRSISLW-GFCCVEGCSA-N -1 3 321.356 2.540 20 0 DFADHM Fc1ccc(C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000822767177 606432723 /nfs/dbraw/zinc/43/27/23/606432723.db2.gz YZHFJZAYJJRUNO-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1ccc(C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000822767177 606432724 /nfs/dbraw/zinc/43/27/24/606432724.db2.gz YZHFJZAYJJRUNO-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM CC(C)CC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820051776 606448704 /nfs/dbraw/zinc/44/87/04/606448704.db2.gz WHZFSGOXSUUURI-UHFFFAOYSA-N -1 3 301.394 2.669 20 0 DFADHM CC(C)CC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820051776 606448707 /nfs/dbraw/zinc/44/87/07/606448707.db2.gz WHZFSGOXSUUURI-UHFFFAOYSA-N -1 3 301.394 2.669 20 0 DFADHM COc1ccc(CCNc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821791004 606457738 /nfs/dbraw/zinc/45/77/38/606457738.db2.gz YZOCPSIHLHOGGT-UHFFFAOYSA-N -1 3 313.336 2.669 20 0 DFADHM COc1ccc(CCNc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821791004 606457740 /nfs/dbraw/zinc/45/77/40/606457740.db2.gz YZOCPSIHLHOGGT-UHFFFAOYSA-N -1 3 313.336 2.669 20 0 DFADHM C[C@H]1CO[C@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)cc1 ZINC000820804492 606474857 /nfs/dbraw/zinc/47/48/57/606474857.db2.gz TURHZNLMYXHXDU-GUYCJALGSA-N -1 3 321.384 2.833 20 0 DFADHM CC(C)CCC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820072319 606476225 /nfs/dbraw/zinc/47/62/25/606476225.db2.gz FYQAZYXKWVGQMK-SNVBAGLBSA-N -1 3 307.423 2.873 20 0 DFADHM CC(C)CCC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820072319 606476227 /nfs/dbraw/zinc/47/62/27/606476227.db2.gz FYQAZYXKWVGQMK-SNVBAGLBSA-N -1 3 307.423 2.873 20 0 DFADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCc2ccccc21 ZINC000823472120 606476583 /nfs/dbraw/zinc/47/65/83/606476583.db2.gz AMUPQLQIENMFCN-UHFFFAOYSA-N -1 3 311.370 2.521 20 0 DFADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCc2ccccc21 ZINC000823472120 606476584 /nfs/dbraw/zinc/47/65/84/606476584.db2.gz AMUPQLQIENMFCN-UHFFFAOYSA-N -1 3 311.370 2.521 20 0 DFADHM Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822248850 606486379 /nfs/dbraw/zinc/48/63/79/606486379.db2.gz QEKDNIVQZQQNDV-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822248850 606486381 /nfs/dbraw/zinc/48/63/81/606486381.db2.gz QEKDNIVQZQQNDV-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Oc1ccccc1Cl ZINC000823111440 606486391 /nfs/dbraw/zinc/48/63/91/606486391.db2.gz IDYYCWOZKLKITC-UHFFFAOYSA-N -1 3 314.732 2.668 20 0 DFADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Oc1ccccc1Cl ZINC000823111440 606486392 /nfs/dbraw/zinc/48/63/92/606486392.db2.gz IDYYCWOZKLKITC-UHFFFAOYSA-N -1 3 314.732 2.668 20 0 DFADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC000821155131 606487076 /nfs/dbraw/zinc/48/70/76/606487076.db2.gz WJSFSRFKOJWIQU-UHFFFAOYSA-N -1 3 305.407 2.723 20 0 DFADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC000821155131 606487077 /nfs/dbraw/zinc/48/70/77/606487077.db2.gz WJSFSRFKOJWIQU-UHFFFAOYSA-N -1 3 305.407 2.723 20 0 DFADHM Cc1ccc(OC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822259222 606487227 /nfs/dbraw/zinc/48/72/27/606487227.db2.gz QCMKPTZHMTUVQZ-UHFFFAOYSA-N -1 3 308.341 2.632 20 0 DFADHM Cc1ccc(OC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822259222 606487228 /nfs/dbraw/zinc/48/72/28/606487228.db2.gz QCMKPTZHMTUVQZ-UHFFFAOYSA-N -1 3 308.341 2.632 20 0 DFADHM C[C@H]1CCC[C@@H](OC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820696505 606488436 /nfs/dbraw/zinc/48/84/36/606488436.db2.gz ACHJEWWLDAUIAZ-SMDDNHRTSA-N -1 3 300.362 2.531 20 0 DFADHM C[C@H]1CCC[C@@H](OC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820696505 606488438 /nfs/dbraw/zinc/48/84/38/606488438.db2.gz ACHJEWWLDAUIAZ-SMDDNHRTSA-N -1 3 300.362 2.531 20 0 DFADHM Cc1cccc(N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)c1C ZINC000822308424 606496271 /nfs/dbraw/zinc/49/62/71/606496271.db2.gz FAMIKQJZHCPFRY-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM Cc1cccc(N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)c1C ZINC000822308424 606496272 /nfs/dbraw/zinc/49/62/72/606496272.db2.gz FAMIKQJZHCPFRY-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM Cc1cscc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822414654 606504226 /nfs/dbraw/zinc/50/42/26/606504226.db2.gz OMGHOBKJAZGJNV-SNVBAGLBSA-N -1 3 313.386 2.728 20 0 DFADHM Cc1cscc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822414654 606504227 /nfs/dbraw/zinc/50/42/27/606504227.db2.gz OMGHOBKJAZGJNV-SNVBAGLBSA-N -1 3 313.386 2.728 20 0 DFADHM CCC1(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCC1 ZINC000820962634 606552711 /nfs/dbraw/zinc/55/27/11/606552711.db2.gz WWIJKDAQBJJRKP-CMDGGOBGSA-N -1 3 311.389 2.576 20 0 DFADHM CCC1(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCC1 ZINC000820962634 606552712 /nfs/dbraw/zinc/55/27/12/606552712.db2.gz WWIJKDAQBJJRKP-CMDGGOBGSA-N -1 3 311.389 2.576 20 0 DFADHM Cc1cc(C)c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822193930 606579802 /nfs/dbraw/zinc/57/98/02/606579802.db2.gz AOZDUXSLTNAICK-LLVKDONJSA-N -1 3 311.345 2.568 20 0 DFADHM Cc1cc(C)c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822193930 606579803 /nfs/dbraw/zinc/57/98/03/606579803.db2.gz AOZDUXSLTNAICK-LLVKDONJSA-N -1 3 311.345 2.568 20 0 DFADHM C[C@H]1c2ccccc2CN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820826515 606580933 /nfs/dbraw/zinc/58/09/33/606580933.db2.gz NDXNPGNMMUYCAQ-LBPRGKRZSA-N -1 3 319.368 2.513 20 0 DFADHM C[C@H]1c2ccccc2CN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820826515 606580934 /nfs/dbraw/zinc/58/09/34/606580934.db2.gz NDXNPGNMMUYCAQ-LBPRGKRZSA-N -1 3 319.368 2.513 20 0 DFADHM CC(C)CC(C)(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820051323 606602214 /nfs/dbraw/zinc/60/22/14/606602214.db2.gz NARMQLRBWUABBA-UHFFFAOYSA-N -1 3 301.394 2.555 20 0 DFADHM CC(C)CC(C)(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820051323 606602215 /nfs/dbraw/zinc/60/22/15/606602215.db2.gz NARMQLRBWUABBA-UHFFFAOYSA-N -1 3 301.394 2.555 20 0 DFADHM O=C(CCc1ccoc1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822983878 606603370 /nfs/dbraw/zinc/60/33/70/606603370.db2.gz WCLQYHFGBGWYAI-UHFFFAOYSA-N -1 3 317.736 2.684 20 0 DFADHM O=C(CCc1ccoc1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822983878 606603371 /nfs/dbraw/zinc/60/33/71/606603371.db2.gz WCLQYHFGBGWYAI-UHFFFAOYSA-N -1 3 317.736 2.684 20 0 DFADHM CO[C@@H]1C[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1(C)C ZINC000821678756 606609803 /nfs/dbraw/zinc/60/98/03/606609803.db2.gz RTOYSKHADFSEAF-NWDGAFQWSA-N -1 3 307.785 2.746 20 0 DFADHM CO[C@@H]1C[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1(C)C ZINC000821678756 606609804 /nfs/dbraw/zinc/60/98/04/606609804.db2.gz RTOYSKHADFSEAF-NWDGAFQWSA-N -1 3 307.785 2.746 20 0 DFADHM CC(C)CC(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820050591 606611822 /nfs/dbraw/zinc/61/18/22/606611822.db2.gz CXCVTTNQQDWFPH-UHFFFAOYSA-N -1 3 302.378 2.982 20 0 DFADHM CC(C)CC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820050591 606611823 /nfs/dbraw/zinc/61/18/23/606611823.db2.gz CXCVTTNQQDWFPH-UHFFFAOYSA-N -1 3 302.378 2.982 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820674201 606618903 /nfs/dbraw/zinc/61/89/03/606618903.db2.gz BVYFJYKPIWDGQF-CVCOIXHCSA-N -1 3 311.389 2.572 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820674201 606618904 /nfs/dbraw/zinc/61/89/04/606618904.db2.gz BVYFJYKPIWDGQF-CVCOIXHCSA-N -1 3 311.389 2.572 20 0 DFADHM C[C@@H]1CCC(=CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820674005 606620409 /nfs/dbraw/zinc/62/04/09/606620409.db2.gz AMFLZIYGKOLSIV-SBMLRHLQSA-N -1 3 301.325 2.691 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820674005 606620411 /nfs/dbraw/zinc/62/04/11/606620411.db2.gz AMFLZIYGKOLSIV-SBMLRHLQSA-N -1 3 301.325 2.691 20 0 DFADHM Fc1ccc(-c2noc(Cc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000822761345 606620555 /nfs/dbraw/zinc/62/05/55/606620555.db2.gz JKUXJZGYVBAPOJ-UHFFFAOYSA-N -1 3 322.303 2.647 20 0 DFADHM Fc1ccc(-c2noc(Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000822761345 606620556 /nfs/dbraw/zinc/62/05/56/606620556.db2.gz JKUXJZGYVBAPOJ-UHFFFAOYSA-N -1 3 322.303 2.647 20 0 DFADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820055644 606663479 /nfs/dbraw/zinc/66/34/79/606663479.db2.gz JAUDJIPPNJUNHX-GFCCVEGCSA-N -1 3 317.393 2.647 20 0 DFADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820055644 606663480 /nfs/dbraw/zinc/66/34/80/606663480.db2.gz JAUDJIPPNJUNHX-GFCCVEGCSA-N -1 3 317.393 2.647 20 0 DFADHM CCCCCC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000821042772 606687095 /nfs/dbraw/zinc/68/70/95/606687095.db2.gz HWHUSUUJGHGCGN-UHFFFAOYSA-N -1 3 316.409 2.598 20 0 DFADHM CCCCCC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000821042772 606687096 /nfs/dbraw/zinc/68/70/96/606687096.db2.gz HWHUSUUJGHGCGN-UHFFFAOYSA-N -1 3 316.409 2.598 20 0 DFADHM CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820981511 606695563 /nfs/dbraw/zinc/69/55/63/606695563.db2.gz SBDJWWKSUUGVFO-SECBINFHSA-N -1 3 320.784 2.784 20 0 DFADHM CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820981511 606695564 /nfs/dbraw/zinc/69/55/64/606695564.db2.gz SBDJWWKSUUGVFO-SECBINFHSA-N -1 3 320.784 2.784 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](C(C)C)C1 ZINC000822218085 606696665 /nfs/dbraw/zinc/69/66/65/606696665.db2.gz WYXKKFYGSBXGDW-ZDUSSCGKSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](C(C)C)C1 ZINC000822218085 606696666 /nfs/dbraw/zinc/69/66/66/606696666.db2.gz WYXKKFYGSBXGDW-ZDUSSCGKSA-N -1 3 314.393 2.685 20 0 DFADHM CC(C)[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820038268 606696932 /nfs/dbraw/zinc/69/69/32/606696932.db2.gz MEEPVDAEOAGNES-JTQLQIEISA-N -1 3 318.356 2.516 20 0 DFADHM CC(C)[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820038268 606696933 /nfs/dbraw/zinc/69/69/33/606696933.db2.gz MEEPVDAEOAGNES-JTQLQIEISA-N -1 3 318.356 2.516 20 0 DFADHM Cc1ccc2nc(CNc3ccc(F)c(-c4nnn[n-]4)c3)cn2c1 ZINC000822280510 606703465 /nfs/dbraw/zinc/70/34/65/606703465.db2.gz QFOMRVFGCGMCDX-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1ccc2nc(CNc3ccc(F)c(-c4nn[n-]n4)c3)cn2c1 ZINC000822280510 606703466 /nfs/dbraw/zinc/70/34/66/606703466.db2.gz QFOMRVFGCGMCDX-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000822736349 606727664 /nfs/dbraw/zinc/72/76/64/606727664.db2.gz DKUWOJUVCBYDNN-BIMULSAOSA-N -1 3 321.331 2.514 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000822736349 606727665 /nfs/dbraw/zinc/72/76/65/606727665.db2.gz DKUWOJUVCBYDNN-BIMULSAOSA-N -1 3 321.331 2.514 20 0 DFADHM CCc1oc(C(=O)OCc2ccccc2-c2nnn[n-]2)cc1C ZINC000821563929 606760105 /nfs/dbraw/zinc/76/01/05/606760105.db2.gz MQTKVFKMCZXCEK-UHFFFAOYSA-N -1 3 312.329 2.688 20 0 DFADHM CCc1oc(C(=O)OCc2ccccc2-c2nn[n-]n2)cc1C ZINC000821563929 606760106 /nfs/dbraw/zinc/76/01/06/606760106.db2.gz MQTKVFKMCZXCEK-UHFFFAOYSA-N -1 3 312.329 2.688 20 0 DFADHM CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820980664 606767722 /nfs/dbraw/zinc/76/77/22/606767722.db2.gz MJHMGQGYNOLXNK-GXFFZTMASA-N -1 3 300.366 2.567 20 0 DFADHM CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820980664 606767724 /nfs/dbraw/zinc/76/77/24/606767724.db2.gz MJHMGQGYNOLXNK-GXFFZTMASA-N -1 3 300.366 2.567 20 0 DFADHM COc1cccc(COc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000821872085 606784679 /nfs/dbraw/zinc/78/46/79/606784679.db2.gz IQOLGYGJNQGPDI-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COc1cccc(COc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000821872085 606784680 /nfs/dbraw/zinc/78/46/80/606784680.db2.gz IQOLGYGJNQGPDI-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM Cc1nc(C)c(C)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822427088 606787350 /nfs/dbraw/zinc/78/73/50/606787350.db2.gz CHFJQOVVHIYHAB-NSHDSACASA-N -1 3 309.377 2.755 20 0 DFADHM Fc1nc(F)c(F)c(Oc2ccccc2-c2nnn[n-]2)c1F ZINC000822796297 606796421 /nfs/dbraw/zinc/79/64/21/606796421.db2.gz PKBRFUJTVOVKKN-UHFFFAOYSA-N -1 3 311.198 2.610 20 0 DFADHM Fc1nc(F)c(F)c(Oc2ccccc2-c2nn[n-]n2)c1F ZINC000822796297 606796422 /nfs/dbraw/zinc/79/64/22/606796422.db2.gz PKBRFUJTVOVKKN-UHFFFAOYSA-N -1 3 311.198 2.610 20 0 DFADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)C(F)=C1CCCC1 ZINC000823418920 606797669 /nfs/dbraw/zinc/79/76/69/606797669.db2.gz YYJAHGRKHPFOCX-UHFFFAOYSA-N -1 3 302.309 2.708 20 0 DFADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)C(F)=C1CCCC1 ZINC000823418920 606797670 /nfs/dbraw/zinc/79/76/70/606797670.db2.gz YYJAHGRKHPFOCX-UHFFFAOYSA-N -1 3 302.309 2.708 20 0 DFADHM C[C@@H](NC(=O)C(F)=C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820315459 606819638 /nfs/dbraw/zinc/81/96/38/606819638.db2.gz NVLDKSAWAHZLMI-SNVBAGLBSA-N -1 3 315.352 2.842 20 0 DFADHM C[C@@H](NC(=O)C(F)=C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820315459 606819640 /nfs/dbraw/zinc/81/96/40/606819640.db2.gz NVLDKSAWAHZLMI-SNVBAGLBSA-N -1 3 315.352 2.842 20 0 DFADHM Fc1ccc(CCN(c2ncccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000822766475 606835409 /nfs/dbraw/zinc/83/54/09/606835409.db2.gz KDQOXKGIEHFIII-UHFFFAOYSA-N -1 3 324.363 2.612 20 0 DFADHM Fc1ccc(CCN(c2ncccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000822766475 606835412 /nfs/dbraw/zinc/83/54/12/606835412.db2.gz KDQOXKGIEHFIII-UHFFFAOYSA-N -1 3 324.363 2.612 20 0 DFADHM c1cn(C2CCCC2)nc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823762206 606838996 /nfs/dbraw/zinc/83/89/96/606838996.db2.gz MLKYZNOUGGQNKZ-UHFFFAOYSA-N -1 3 310.361 2.757 20 0 DFADHM c1cn(C2CCCC2)nc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823762206 606838997 /nfs/dbraw/zinc/83/89/97/606838997.db2.gz MLKYZNOUGGQNKZ-UHFFFAOYSA-N -1 3 310.361 2.757 20 0 DFADHM CCOC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821314961 606853684 /nfs/dbraw/zinc/85/36/84/606853684.db2.gz NWWGJUHIUPPBIV-SSDOTTSWSA-N -1 3 312.782 2.564 20 0 DFADHM CCOC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821314961 606853685 /nfs/dbraw/zinc/85/36/85/606853685.db2.gz NWWGJUHIUPPBIV-SSDOTTSWSA-N -1 3 312.782 2.564 20 0 DFADHM Cc1nc(CCNc2ccc(-c3nn[n-]n3)cc2F)sc1C ZINC000822439460 606874929 /nfs/dbraw/zinc/87/49/29/606874929.db2.gz BITLWKJHGKGWDB-UHFFFAOYSA-N -1 3 318.381 2.734 20 0 DFADHM Cc1cc(C)cc(N(C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822196859 606887696 /nfs/dbraw/zinc/88/76/96/606887696.db2.gz ZATXIEUSFCFZBJ-KRWDZBQOSA-N -1 3 323.400 2.653 20 0 DFADHM Cc1cc(C)cc(N(C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196859 606887699 /nfs/dbraw/zinc/88/76/99/606887699.db2.gz ZATXIEUSFCFZBJ-KRWDZBQOSA-N -1 3 323.400 2.653 20 0 DFADHM CCc1nnc(SC2CCCC2)c(-c2nnn[n-]2)c1CC ZINC000821548708 606910528 /nfs/dbraw/zinc/91/05/28/606910528.db2.gz USUBGOCYSHVATP-UHFFFAOYSA-N -1 3 304.423 2.816 20 0 DFADHM CCc1nnc(SC2CCCC2)c(-c2nn[n-]n2)c1CC ZINC000821548708 606910530 /nfs/dbraw/zinc/91/05/30/606910530.db2.gz USUBGOCYSHVATP-UHFFFAOYSA-N -1 3 304.423 2.816 20 0 DFADHM COC[C@H](C)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821681962 606924616 /nfs/dbraw/zinc/92/46/16/606924616.db2.gz WZIPSEINMJVYDA-MRVPVSSYSA-N -1 3 315.299 2.580 20 0 DFADHM COC[C@H](C)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821681962 606924618 /nfs/dbraw/zinc/92/46/18/606924618.db2.gz WZIPSEINMJVYDA-MRVPVSSYSA-N -1 3 315.299 2.580 20 0 DFADHM CC(C)c1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820192017 606936442 /nfs/dbraw/zinc/93/64/42/606936442.db2.gz DTJWTUFUXRMPJW-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM CC(C)c1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820192017 606936445 /nfs/dbraw/zinc/93/64/45/606936445.db2.gz DTJWTUFUXRMPJW-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM O=C(Nc1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823299422 606937620 /nfs/dbraw/zinc/93/76/20/606937620.db2.gz WTXXOGZQKRUNMZ-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823299422 606937622 /nfs/dbraw/zinc/93/76/22/606937622.db2.gz WTXXOGZQKRUNMZ-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM CC[C@]1(C)CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000820951031 606954595 /nfs/dbraw/zinc/95/45/95/606954595.db2.gz VFXCYRWMAJGVQL-MRXNPFEDSA-N -1 3 314.393 2.829 20 0 DFADHM CC[C@]1(C)CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000820951031 606954596 /nfs/dbraw/zinc/95/45/96/606954596.db2.gz VFXCYRWMAJGVQL-MRXNPFEDSA-N -1 3 314.393 2.829 20 0 DFADHM CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1ccccc1F ZINC000821610946 606959413 /nfs/dbraw/zinc/95/94/13/606959413.db2.gz LDXYVLTZCQRFPJ-UHFFFAOYSA-N -1 3 315.327 2.777 20 0 DFADHM CN(Cc1ccc(F)c(-c2nn[n-]n2)c1)Cc1ccccc1F ZINC000821610946 606959415 /nfs/dbraw/zinc/95/94/15/606959415.db2.gz LDXYVLTZCQRFPJ-UHFFFAOYSA-N -1 3 315.327 2.777 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000822226243 606975869 /nfs/dbraw/zinc/97/58/69/606975869.db2.gz JKIAZDYXUQCRFF-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000822226243 606975871 /nfs/dbraw/zinc/97/58/71/606975871.db2.gz JKIAZDYXUQCRFF-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1 ZINC000820001404 606976807 /nfs/dbraw/zinc/97/68/07/606976807.db2.gz LCUHNBBRKXMNOV-UHFFFAOYSA-N -1 3 323.356 2.663 20 0 DFADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1 ZINC000820001404 606976808 /nfs/dbraw/zinc/97/68/08/606976808.db2.gz LCUHNBBRKXMNOV-UHFFFAOYSA-N -1 3 323.356 2.663 20 0 DFADHM CCCCc1noc(CSc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821083339 607013282 /nfs/dbraw/zinc/01/32/82/607013282.db2.gz YEJADJTZFUTJFL-UHFFFAOYSA-N -1 3 316.390 2.885 20 0 DFADHM CCCCc1noc(CSc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821083339 607013283 /nfs/dbraw/zinc/01/32/83/607013283.db2.gz YEJADJTZFUTJFL-UHFFFAOYSA-N -1 3 316.390 2.885 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(COc2cccc(F)c2F)c1 ZINC000822757979 607028313 /nfs/dbraw/zinc/02/83/13/607028313.db2.gz IGWGTOAUSXCFAP-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(COc2cccc(F)c2F)c1 ZINC000822757979 607028314 /nfs/dbraw/zinc/02/83/14/607028314.db2.gz IGWGTOAUSXCFAP-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000821821662 607037603 /nfs/dbraw/zinc/03/76/03/607037603.db2.gz PWDKQCBHNGDEPP-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000821821662 607037606 /nfs/dbraw/zinc/03/76/06/607037606.db2.gz PWDKQCBHNGDEPP-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM C[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820683595 607045107 /nfs/dbraw/zinc/04/51/07/607045107.db2.gz DGDPVXHCOZEBIO-AGIUHOORSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820683595 607045108 /nfs/dbraw/zinc/04/51/08/607045108.db2.gz DGDPVXHCOZEBIO-AGIUHOORSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2ccccc2-c2nnn[n-]2)C1 ZINC000820684578 607090550 /nfs/dbraw/zinc/09/05/50/607090550.db2.gz RJXAVMBIFUMNKM-NWDGAFQWSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2ccccc2-c2nn[n-]n2)C1 ZINC000820684578 607090551 /nfs/dbraw/zinc/09/05/51/607090551.db2.gz RJXAVMBIFUMNKM-NWDGAFQWSA-N -1 3 300.362 2.736 20 0 DFADHM CCc1cnc(CNc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000821499966 607123775 /nfs/dbraw/zinc/12/37/75/607123775.db2.gz YOCZALLJNMFHLJ-UHFFFAOYSA-N -1 3 304.741 2.683 20 0 DFADHM CCCC1(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000821034379 607131957 /nfs/dbraw/zinc/13/19/57/607131957.db2.gz LJZHDWJJPGKDTK-BQYQJAHWSA-N -1 3 311.389 2.576 20 0 DFADHM CCCC1(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000821034379 607131959 /nfs/dbraw/zinc/13/19/59/607131959.db2.gz LJZHDWJJPGKDTK-BQYQJAHWSA-N -1 3 311.389 2.576 20 0 DFADHM COc1ccccc1COc1ccc(-c2nnn[n-]2)cc1F ZINC000821898932 607134967 /nfs/dbraw/zinc/13/49/67/607134967.db2.gz UQWGHRHMCDPTRK-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1ccccc1COc1ccc(-c2nn[n-]n2)cc1F ZINC000821898932 607134969 /nfs/dbraw/zinc/13/49/69/607134969.db2.gz UQWGHRHMCDPTRK-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1ccnc(Cl)c1 ZINC000822748338 607140289 /nfs/dbraw/zinc/14/02/89/607140289.db2.gz USSRVMGEKQMOID-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1ccnc(Cl)c1 ZINC000822748338 607140291 /nfs/dbraw/zinc/14/02/91/607140291.db2.gz USSRVMGEKQMOID-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CC2CCC1CC2 ZINC000823308930 607141676 /nfs/dbraw/zinc/14/16/76/607141676.db2.gz MXASKNSKOWKJJU-MGULZYLOSA-N -1 3 312.377 2.567 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CC2CCC1CC2 ZINC000823308930 607141678 /nfs/dbraw/zinc/14/16/78/607141678.db2.gz MXASKNSKOWKJJU-MGULZYLOSA-N -1 3 312.377 2.567 20 0 DFADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1=CCCC1 ZINC000823387344 607149624 /nfs/dbraw/zinc/14/96/24/607149624.db2.gz IUSNWPDPQHMHNG-UHFFFAOYSA-N -1 3 315.402 2.856 20 0 DFADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1=CCCC1 ZINC000823387344 607149625 /nfs/dbraw/zinc/14/96/25/607149625.db2.gz IUSNWPDPQHMHNG-UHFFFAOYSA-N -1 3 315.402 2.856 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)oc1C ZINC000822168770 607156964 /nfs/dbraw/zinc/15/69/64/607156964.db2.gz RQEWHLJWOKREGI-SNVBAGLBSA-N -1 3 311.345 2.568 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)oc1C ZINC000822168770 607156965 /nfs/dbraw/zinc/15/69/65/607156965.db2.gz RQEWHLJWOKREGI-SNVBAGLBSA-N -1 3 311.345 2.568 20 0 DFADHM CC(C)CC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820072480 607163815 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ZINC000820596391 607196288 /nfs/dbraw/zinc/19/62/88/607196288.db2.gz OVZPYHRHLFOZJB-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCC1 ZINC000821572273 607196841 /nfs/dbraw/zinc/19/68/41/607196841.db2.gz YGJJZJFODQOTJX-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCC1 ZINC000821572273 607196842 /nfs/dbraw/zinc/19/68/42/607196842.db2.gz YGJJZJFODQOTJX-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CC(C)CC[C@@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820073374 607224657 /nfs/dbraw/zinc/22/46/57/607224657.db2.gz TUWKHPQBMVFBJT-NSHDSACASA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)CC[C@@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820073374 607224658 /nfs/dbraw/zinc/22/46/58/607224658.db2.gz TUWKHPQBMVFBJT-NSHDSACASA-N -1 3 319.434 2.969 20 0 DFADHM O=C1c2ccccc2C[C@@H]1Sc1ccc(-c2nnn[n-]2)cc1 ZINC000823551059 607225413 /nfs/dbraw/zinc/22/54/13/607225413.db2.gz DAMGNOMYOWDXLS-AWEZNQCLSA-N -1 3 308.366 2.766 20 0 DFADHM O=C1c2ccccc2C[C@@H]1Sc1ccc(-c2nn[n-]n2)cc1 ZINC000823551059 607225414 /nfs/dbraw/zinc/22/54/14/607225414.db2.gz DAMGNOMYOWDXLS-AWEZNQCLSA-N -1 3 308.366 2.766 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2cccc(Cl)c2)n1 ZINC000822214852 607226437 /nfs/dbraw/zinc/22/64/37/607226437.db2.gz AMTDDDGUSHWYLU-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2cccc(Cl)c2)n1 ZINC000822214852 607226438 /nfs/dbraw/zinc/22/64/38/607226438.db2.gz AMTDDDGUSHWYLU-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM CCc1ccc(CN(C)c2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000821487029 607226516 /nfs/dbraw/zinc/22/65/16/607226516.db2.gz OJCFASRXCGAHSD-UHFFFAOYSA-N -1 3 308.389 2.769 20 0 DFADHM CCc1ccc(CN(C)c2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000821487029 607226517 /nfs/dbraw/zinc/22/65/17/607226517.db2.gz OJCFASRXCGAHSD-UHFFFAOYSA-N -1 3 308.389 2.769 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)cc(F)c1 ZINC000823449786 607245594 /nfs/dbraw/zinc/24/55/94/607245594.db2.gz CPXZCHNQXBUIET-UHFFFAOYSA-N -1 3 320.230 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RJJYSFJXHWUOQA-AWEZNQCLSA-N -1 3 319.368 2.560 20 0 DFADHM CN(C(=O)[C@H]1CCc2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC000825812703 607789898 /nfs/dbraw/zinc/78/98/98/607789898.db2.gz RJJYSFJXHWUOQA-AWEZNQCLSA-N -1 3 319.368 2.560 20 0 DFADHM C[C@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccsc1 ZINC000824040195 607790323 /nfs/dbraw/zinc/79/03/23/607790323.db2.gz MSKRDJBVIKRZDM-JTQLQIEISA-N -1 3 313.386 2.695 20 0 DFADHM C[C@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccsc1 ZINC000824040195 607790324 /nfs/dbraw/zinc/79/03/24/607790324.db2.gz MSKRDJBVIKRZDM-JTQLQIEISA-N -1 3 313.386 2.695 20 0 DFADHM CC1(C)C[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000824795967 607792866 /nfs/dbraw/zinc/79/28/66/607792866.db2.gz KDQRLABEECRACO-SECBINFHSA-N -1 3 317.418 2.792 20 0 DFADHM CC1(C)C[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000824795967 607792867 /nfs/dbraw/zinc/79/28/67/607792867.db2.gz KDQRLABEECRACO-SECBINFHSA-N -1 3 317.418 2.792 20 0 DFADHM Cc1sc(NC(=O)C(C2CC2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826349791 607793257 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CN(CCc1nccs1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825950113 607810816 /nfs/dbraw/zinc/81/08/16/607810816.db2.gz JFQLEWWEHNJZTJ-UHFFFAOYSA-N -1 3 320.809 2.656 20 0 DFADHM CN(CCc1nccs1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825950113 607810817 /nfs/dbraw/zinc/81/08/17/607810817.db2.gz JFQLEWWEHNJZTJ-UHFFFAOYSA-N -1 3 320.809 2.656 20 0 DFADHM Cc1ccc(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)o1 ZINC000826286959 607826474 /nfs/dbraw/zinc/82/64/74/607826474.db2.gz XDEYPPFDBSFZTK-UHFFFAOYSA-N -1 3 317.374 2.628 20 0 DFADHM Cc1ccc(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000826286959 607826475 /nfs/dbraw/zinc/82/64/75/607826475.db2.gz XDEYPPFDBSFZTK-UHFFFAOYSA-N -1 3 317.374 2.628 20 0 DFADHM Clc1ccc(CCNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826352105 607838126 /nfs/dbraw/zinc/83/81/26/607838126.db2.gz NULHFEMKYZMIIA-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1ccc(CCNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826352105 607838127 /nfs/dbraw/zinc/83/81/27/607838127.db2.gz NULHFEMKYZMIIA-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM C[C@@H]1OCC[C@H]1SCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825021703 607845289 /nfs/dbraw/zinc/84/52/89/607845289.db2.gz TVGLUZRZHYVXCM-SMDDNHRTSA-N -1 3 320.418 2.546 20 0 DFADHM FC(F)(F)COc1cccc(Cn2ccc(-c3nnn[n-]3)c2)c1 ZINC000826367723 607891978 /nfs/dbraw/zinc/89/19/78/607891978.db2.gz LMXOLQPNVBYPAK-UHFFFAOYSA-N -1 3 323.278 2.658 20 0 DFADHM FC(F)(F)COc1cccc(Cn2ccc(-c3nn[n-]n3)c2)c1 ZINC000826367723 607891979 /nfs/dbraw/zinc/89/19/79/607891979.db2.gz LMXOLQPNVBYPAK-UHFFFAOYSA-N -1 3 323.278 2.658 20 0 DFADHM Clc1ccc(OCCCn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000826352544 607892397 /nfs/dbraw/zinc/89/23/97/607892397.db2.gz FQYUGBGIYVLDEG-UHFFFAOYSA-N -1 3 303.753 2.791 20 0 DFADHM Clc1ccc(OCCCn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000826352544 607892398 /nfs/dbraw/zinc/89/23/98/607892398.db2.gz FQYUGBGIYVLDEG-UHFFFAOYSA-N -1 3 303.753 2.791 20 0 DFADHM Fc1cccc(-c2cnc(Cn3ccc(-c4nnn[n-]4)c3)o2)c1 ZINC000826376856 607892541 /nfs/dbraw/zinc/89/25/41/607892541.db2.gz VZZHJMHPBHDWIO-UHFFFAOYSA-N -1 3 310.292 2.511 20 0 DFADHM Fc1cccc(-c2cnc(Cn3ccc(-c4nn[n-]n4)c3)o2)c1 ZINC000826376856 607892542 /nfs/dbraw/zinc/89/25/42/607892542.db2.gz VZZHJMHPBHDWIO-UHFFFAOYSA-N -1 3 310.292 2.511 20 0 DFADHM Fc1ccc(N2CC=C(C(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000826375368 607935949 /nfs/dbraw/zinc/93/59/49/607935949.db2.gz KSQBYUFRDQRYOZ-UHFFFAOYSA-N -1 3 313.258 2.705 20 0 DFADHM Fc1ccc(N2CC=C(C(F)(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000826375368 607935950 /nfs/dbraw/zinc/93/59/50/607935950.db2.gz KSQBYUFRDQRYOZ-UHFFFAOYSA-N -1 3 313.258 2.705 20 0 DFADHM CS[C@H](C)CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826224928 607944764 /nfs/dbraw/zinc/94/47/64/607944764.db2.gz PBHTYVIONTZPJM-ZJUUUORDSA-N -1 3 306.391 2.613 20 0 DFADHM CS[C@H](C)CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826224928 607944765 /nfs/dbraw/zinc/94/47/65/607944765.db2.gz PBHTYVIONTZPJM-ZJUUUORDSA-N -1 3 306.391 2.613 20 0 DFADHM CS[C@H](C)CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826224925 607944816 /nfs/dbraw/zinc/94/48/16/607944816.db2.gz PBHTYVIONTZPJM-NXEZZACHSA-N -1 3 306.391 2.613 20 0 DFADHM CS[C@H](C)CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826224925 607944817 /nfs/dbraw/zinc/94/48/17/607944817.db2.gz PBHTYVIONTZPJM-NXEZZACHSA-N -1 3 306.391 2.613 20 0 DFADHM CS[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826224752 607962324 /nfs/dbraw/zinc/96/23/24/607962324.db2.gz LDQAFWCWTMZNRB-SECBINFHSA-N -1 3 322.438 2.503 20 0 DFADHM CS[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826224752 607962325 /nfs/dbraw/zinc/96/23/25/607962325.db2.gz LDQAFWCWTMZNRB-SECBINFHSA-N -1 3 322.438 2.503 20 0 DFADHM COc1ccc(C[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826191981 607968533 /nfs/dbraw/zinc/96/85/33/607968533.db2.gz WHCZFDBNUIPMAH-GFCCVEGCSA-N -1 3 324.388 2.561 20 0 DFADHM COc1ccc(C[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826191981 607968534 /nfs/dbraw/zinc/96/85/34/607968534.db2.gz WHCZFDBNUIPMAH-GFCCVEGCSA-N -1 3 324.388 2.561 20 0 DFADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1ncc(C2CC2)o1 ZINC000826351161 608019860 /nfs/dbraw/zinc/01/98/60/608019860.db2.gz ZWOYTCJZQOGRGP-UHFFFAOYSA-N -1 3 316.752 2.998 20 0 DFADHM Cc1cc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)ccc1F ZINC000826271368 608027333 /nfs/dbraw/zinc/02/73/33/608027333.db2.gz OGNHTGUNULIXKE-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)ccc1F ZINC000826271368 608027334 /nfs/dbraw/zinc/02/73/34/608027334.db2.gz OGNHTGUNULIXKE-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCc2ccsc2C1 ZINC000826373699 608045876 /nfs/dbraw/zinc/04/58/76/608045876.db2.gz WONVSGWYRZZARY-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Brc1cc(-c2nn[n-]n2)ccc1NCCC1CC1 ZINC000823826038 608050461 /nfs/dbraw/zinc/05/04/61/608050461.db2.gz ATEBQMUNRWFYCF-UHFFFAOYSA-N -1 3 308.183 2.841 20 0 DFADHM C[C@@H](SCCn1ccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757427 608055454 /nfs/dbraw/zinc/05/54/54/608055454.db2.gz WLTBHTVSTHSVHY-LLVKDONJSA-N -1 3 300.391 2.558 20 0 DFADHM CCC(CC)[C@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825095875 608066368 /nfs/dbraw/zinc/06/63/68/608066368.db2.gz JSKRRXQNDLAJPE-NSHDSACASA-N -1 3 301.394 2.902 20 0 DFADHM CCC(CC)[C@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825095875 608066369 /nfs/dbraw/zinc/06/63/69/608066369.db2.gz JSKRRXQNDLAJPE-NSHDSACASA-N -1 3 301.394 2.902 20 0 DFADHM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824907262 608078636 /nfs/dbraw/zinc/07/86/36/608078636.db2.gz HKCUVQUXHMEYOD-VHSXEESVSA-N -1 3 318.356 2.658 20 0 DFADHM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824907262 608078637 /nfs/dbraw/zinc/07/86/37/608078637.db2.gz HKCUVQUXHMEYOD-VHSXEESVSA-N -1 3 318.356 2.658 20 0 DFADHM CN(Cc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000825966014 608099613 /nfs/dbraw/zinc/09/96/13/608099613.db2.gz KHJFSHKDJJDBIZ-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000825966014 608099614 /nfs/dbraw/zinc/09/96/14/608099614.db2.gz KHJFSHKDJJDBIZ-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C(C)C)on1 ZINC000826278647 608120620 /nfs/dbraw/zinc/12/06/20/608120620.db2.gz MWMPJNIATASCBR-UHFFFAOYSA-N -1 3 312.333 2.539 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(C)C)on1 ZINC000826278647 608120621 /nfs/dbraw/zinc/12/06/21/608120621.db2.gz MWMPJNIATASCBR-UHFFFAOYSA-N -1 3 312.333 2.539 20 0 DFADHM CCC[C@@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)C(C)C ZINC000825225435 608120853 /nfs/dbraw/zinc/12/08/53/608120853.db2.gz SNOMUJRSTJUCJJ-CQSZACIVSA-N -1 3 313.405 2.828 20 0 DFADHM CCC[C@@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)C(C)C ZINC000825225435 608120854 /nfs/dbraw/zinc/12/08/54/608120854.db2.gz SNOMUJRSTJUCJJ-CQSZACIVSA-N -1 3 313.405 2.828 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CC12CCCCC2 ZINC000826452594 608157961 /nfs/dbraw/zinc/15/79/61/608157961.db2.gz YRRLWPMDDNQMDI-ZDUSSCGKSA-N -1 3 312.377 2.711 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CC12CCCCC2 ZINC000826452594 608157963 /nfs/dbraw/zinc/15/79/63/608157963.db2.gz YRRLWPMDDNQMDI-ZDUSSCGKSA-N -1 3 312.377 2.711 20 0 DFADHM C[C@H]1CCC[C@H](COC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000824928503 608172443 /nfs/dbraw/zinc/17/24/43/608172443.db2.gz UGKJKPLBWHBHQL-UWVGGRQHSA-N -1 3 306.391 2.911 20 0 DFADHM C[C@H]1CCC[C@H](COC(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000824928503 608172444 /nfs/dbraw/zinc/17/24/44/608172444.db2.gz UGKJKPLBWHBHQL-UWVGGRQHSA-N -1 3 306.391 2.911 20 0 DFADHM Cc1ocnc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826342929 608192591 /nfs/dbraw/zinc/19/25/91/608192591.db2.gz FZZGNMRCVHSJSR-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM Cc1ocnc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826342929 608192592 /nfs/dbraw/zinc/19/25/92/608192592.db2.gz FZZGNMRCVHSJSR-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM Cc1ocnc1CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826343348 608192976 /nfs/dbraw/zinc/19/29/76/608192976.db2.gz WZETVZIDWCYQJT-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM Cc1ocnc1CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826343348 608192977 /nfs/dbraw/zinc/19/29/77/608192977.db2.gz WZETVZIDWCYQJT-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM CO[C@H]1C[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C1(C)C ZINC000826144357 608231849 /nfs/dbraw/zinc/23/18/49/608231849.db2.gz HJXHCYWYKIKBPC-KBPBESRZSA-N -1 3 324.388 2.640 20 0 DFADHM CO[C@H]1C[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C1(C)C ZINC000826144357 608231851 /nfs/dbraw/zinc/23/18/51/608231851.db2.gz HJXHCYWYKIKBPC-KBPBESRZSA-N -1 3 324.388 2.640 20 0 DFADHM c1cc2nc(N[C@H]3CCCSC3)ccc2cc1-c1nnn[n-]1 ZINC000826518187 608232620 /nfs/dbraw/zinc/23/26/20/608232620.db2.gz DTVQPIXAUMSHFW-LBPRGKRZSA-N -1 3 312.402 2.722 20 0 DFADHM c1cc2nc(N[C@H]3CCCSC3)ccc2cc1-c1nn[n-]n1 ZINC000826518187 608232622 /nfs/dbraw/zinc/23/26/22/608232622.db2.gz DTVQPIXAUMSHFW-LBPRGKRZSA-N -1 3 312.402 2.722 20 0 DFADHM C[C@H]1C[C@H](CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824886286 608236179 /nfs/dbraw/zinc/23/61/79/608236179.db2.gz WTVBVPZFTYJAFN-NWDGAFQWSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H]1C[C@H](CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824886286 608236180 /nfs/dbraw/zinc/23/61/80/608236180.db2.gz WTVBVPZFTYJAFN-NWDGAFQWSA-N -1 3 324.388 2.642 20 0 DFADHM CCC1(O)CCC(Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825176044 608238339 /nfs/dbraw/zinc/23/83/39/608238339.db2.gz DAFQNANVAOMBHT-UHFFFAOYSA-N -1 3 305.357 2.501 20 0 DFADHM Cc1c(NC(=O)C=C2CCSCC2)cccc1-c1nnn[n-]1 ZINC000826240857 608241549 /nfs/dbraw/zinc/24/15/49/608241549.db2.gz JGXZDRGTQOJVFV-UHFFFAOYSA-N -1 3 315.402 2.567 20 0 DFADHM Cc1c(NC(=O)C=C2CCSCC2)cccc1-c1nn[n-]n1 ZINC000826240857 608241551 /nfs/dbraw/zinc/24/15/51/608241551.db2.gz JGXZDRGTQOJVFV-UHFFFAOYSA-N -1 3 315.402 2.567 20 0 DFADHM CC(C)(CCCO)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824152838 608243896 /nfs/dbraw/zinc/24/38/96/608243896.db2.gz PLEXPMBXGMGBLN-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CN(Cc1ccccn1)C1CC1 ZINC000826373440 608262408 /nfs/dbraw/zinc/26/24/08/608262408.db2.gz MFWRDOFZFGDJPZ-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM C[C@H]1CSC(SCc2cc(F)ccc2-c2nnn[n-]2)=N1 ZINC000825012444 608265909 /nfs/dbraw/zinc/26/59/09/608265909.db2.gz JGBLJIYKAFETOI-ZETCQYMHSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@H]1CSC(SCc2cc(F)ccc2-c2nn[n-]n2)=N1 ZINC000825012444 608265911 /nfs/dbraw/zinc/26/59/11/608265911.db2.gz JGBLJIYKAFETOI-ZETCQYMHSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@@H](N[C@@H](C)c1nccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824531586 608270707 /nfs/dbraw/zinc/27/07/07/608270707.db2.gz PNUYCTBLGBGFLH-ZJUUUORDSA-N -1 3 300.391 2.735 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2c2cccs2)n1 ZINC000826274629 608270795 /nfs/dbraw/zinc/27/07/95/608270795.db2.gz XVTADQPDZRPXIT-GFCCVEGCSA-N -1 3 312.402 2.973 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2c2cccs2)n1 ZINC000826274629 608270797 /nfs/dbraw/zinc/27/07/97/608270797.db2.gz XVTADQPDZRPXIT-GFCCVEGCSA-N -1 3 312.402 2.973 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(OC(C)C)cc2)n1 ZINC000826276787 608272809 /nfs/dbraw/zinc/27/28/09/608272809.db2.gz XCFOSGGYCCNYIL-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(OC(C)C)cc2)n1 ZINC000826276787 608272810 /nfs/dbraw/zinc/27/28/10/608272810.db2.gz XCFOSGGYCCNYIL-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM CCc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)s1 ZINC000825712742 608274366 /nfs/dbraw/zinc/27/43/66/608274366.db2.gz WTIKKOGWEYFVKX-UHFFFAOYSA-N -1 3 300.391 2.806 20 0 DFADHM CCc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)s1 ZINC000825712742 608274367 /nfs/dbraw/zinc/27/43/67/608274367.db2.gz WTIKKOGWEYFVKX-UHFFFAOYSA-N -1 3 300.391 2.806 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N(C)CCCc2ccccc2)n1 ZINC000826274554 608274384 /nfs/dbraw/zinc/27/43/84/608274384.db2.gz VGCHLQASYDOALR-UHFFFAOYSA-N -1 3 308.389 2.639 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N(C)CCCc2ccccc2)n1 ZINC000826274554 608274385 /nfs/dbraw/zinc/27/43/85/608274385.db2.gz VGCHLQASYDOALR-UHFFFAOYSA-N -1 3 308.389 2.639 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)c2nc3ccccc3[nH]2)n1 ZINC000826275064 608278927 /nfs/dbraw/zinc/27/89/27/608278927.db2.gz MYIKVGUJYILSNH-SNVBAGLBSA-N -1 3 320.360 2.620 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)c2nc3ccccc3[nH]2)n1 ZINC000826275064 608278929 /nfs/dbraw/zinc/27/89/29/608278929.db2.gz MYIKVGUJYILSNH-SNVBAGLBSA-N -1 3 320.360 2.620 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2ccccc2Cl)n1 ZINC000826276459 608279125 /nfs/dbraw/zinc/27/91/25/608279125.db2.gz HVJASCNUVWFVKL-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2ccccc2Cl)n1 ZINC000826276459 608279127 /nfs/dbraw/zinc/27/91/27/608279127.db2.gz HVJASCNUVWFVKL-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@@H](C)c2ccccc2)n1 ZINC000826273699 608282026 /nfs/dbraw/zinc/28/20/26/608282026.db2.gz QBYPMUUQZWVTAC-GFCCVEGCSA-N -1 3 308.389 2.810 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@@H](C)c2ccccc2)n1 ZINC000826273699 608282028 /nfs/dbraw/zinc/28/20/28/608282028.db2.gz QBYPMUUQZWVTAC-GFCCVEGCSA-N -1 3 308.389 2.810 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](c3ccccc3)C[C@@H]2C)n1 ZINC000826274110 608287753 /nfs/dbraw/zinc/28/77/53/608287753.db2.gz GYWIBGJXUSHZKK-ZFWWWQNUSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](c3ccccc3)C[C@@H]2C)n1 ZINC000826274110 608287754 /nfs/dbraw/zinc/28/77/54/608287754.db2.gz GYWIBGJXUSHZKK-ZFWWWQNUSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1cc(C)cc(CCNc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC000826264659 608289906 /nfs/dbraw/zinc/28/99/06/608289906.db2.gz VXZLCSNLSPYBII-UHFFFAOYSA-N -1 3 308.389 2.842 20 0 DFADHM Cc1cc(C)cc(CCNc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC000826264659 608289908 /nfs/dbraw/zinc/28/99/08/608289908.db2.gz VXZLCSNLSPYBII-UHFFFAOYSA-N -1 3 308.389 2.842 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](c3ccccc3)[C@H]2C)n1 ZINC000826274300 608294932 /nfs/dbraw/zinc/29/49/32/608294932.db2.gz MVRPBHFSIXLFPP-HIFRSBDPSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](c3ccccc3)[C@H]2C)n1 ZINC000826274300 608294933 /nfs/dbraw/zinc/29/49/33/608294933.db2.gz MVRPBHFSIXLFPP-HIFRSBDPSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000826274299 608295084 /nfs/dbraw/zinc/29/50/84/608295084.db2.gz MVRPBHFSIXLFPP-DZGCQCFKSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000826274299 608295085 /nfs/dbraw/zinc/29/50/85/608295085.db2.gz MVRPBHFSIXLFPP-DZGCQCFKSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](c2cccnc2)C(C)C)n1 ZINC000826276204 608295569 /nfs/dbraw/zinc/29/55/69/608295569.db2.gz XLYZVPFXIOGINL-OAHLLOKOSA-N -1 3 323.404 2.817 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H](c2cccnc2)C(C)C)n1 ZINC000826276204 608295570 /nfs/dbraw/zinc/29/55/70/608295570.db2.gz XLYZVPFXIOGINL-OAHLLOKOSA-N -1 3 323.404 2.817 20 0 DFADHM Cc1scc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000826350271 608301640 /nfs/dbraw/zinc/30/16/40/608301640.db2.gz OSIOIQIAGZSWRP-UHFFFAOYSA-N -1 3 317.349 2.936 20 0 DFADHM Cc1scc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000826350271 608301641 /nfs/dbraw/zinc/30/16/41/608301641.db2.gz OSIOIQIAGZSWRP-UHFFFAOYSA-N -1 3 317.349 2.936 20 0 DFADHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@H]1C ZINC000824962271 608303312 /nfs/dbraw/zinc/30/33/12/608303312.db2.gz RLALDSFGLUZWHM-NWDGAFQWSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@H]1C ZINC000824962271 608303314 /nfs/dbraw/zinc/30/33/14/608303314.db2.gz RLALDSFGLUZWHM-NWDGAFQWSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(F)c1F ZINC000824650327 608304517 /nfs/dbraw/zinc/30/45/17/608304517.db2.gz QUFSKFKEBWYDAT-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(F)c1F ZINC000824650327 608304519 /nfs/dbraw/zinc/30/45/19/608304519.db2.gz QUFSKFKEBWYDAT-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1cc(C)no1 ZINC000826173686 608322397 /nfs/dbraw/zinc/32/23/97/608322397.db2.gz POWVWZDSSIVTKD-UHFFFAOYSA-N -1 3 317.374 2.605 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1cc(C)no1 ZINC000826173686 608322399 /nfs/dbraw/zinc/32/23/99/608322399.db2.gz POWVWZDSSIVTKD-UHFFFAOYSA-N -1 3 317.374 2.605 20 0 DFADHM CCN(C(=O)CC1CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367196 608346592 /nfs/dbraw/zinc/34/65/92/608346592.db2.gz KTTXDTXZCAKVSK-UHFFFAOYSA-N -1 3 305.769 2.673 20 0 DFADHM CCN(C(=O)CC1CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367196 608346594 /nfs/dbraw/zinc/34/65/94/608346594.db2.gz KTTXDTXZCAKVSK-UHFFFAOYSA-N -1 3 305.769 2.673 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1cccs1 ZINC000826167989 608353030 /nfs/dbraw/zinc/35/30/30/608353030.db2.gz YGSGZGCGOULAHW-UHFFFAOYSA-N -1 3 315.402 2.569 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)[C@H](C)c1ccco1 ZINC000826167501 608356446 /nfs/dbraw/zinc/35/64/46/608356446.db2.gz HBQFPYRPZNKXLN-LLVKDONJSA-N -1 3 313.361 2.661 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@H](C)c1ccco1 ZINC000826167501 608356448 /nfs/dbraw/zinc/35/64/48/608356448.db2.gz HBQFPYRPZNKXLN-LLVKDONJSA-N -1 3 313.361 2.661 20 0 DFADHM CC(C)[C@H](CNc1cnccc1-c1nnn[n-]1)Nc1ccccc1 ZINC000824193235 608363468 /nfs/dbraw/zinc/36/34/68/608363468.db2.gz VOAFQMULJCYJAD-HNNXBMFYSA-N -1 3 323.404 2.810 20 0 DFADHM CC(C)[C@H](CNc1cnccc1-c1nn[n-]n1)Nc1ccccc1 ZINC000824193235 608363469 /nfs/dbraw/zinc/36/34/69/608363469.db2.gz VOAFQMULJCYJAD-HNNXBMFYSA-N -1 3 323.404 2.810 20 0 DFADHM Oc1cccc2c1CC[C@H]2Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826511443 608381972 /nfs/dbraw/zinc/38/19/72/608381972.db2.gz QPFFQOQTPHNBJA-CYBMUJFWSA-N -1 3 311.320 2.811 20 0 DFADHM Oc1cccc2c1CC[C@H]2Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826511443 608381974 /nfs/dbraw/zinc/38/19/74/608381974.db2.gz QPFFQOQTPHNBJA-CYBMUJFWSA-N -1 3 311.320 2.811 20 0 DFADHM CO[C@H]1CCC[C@H]1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000826146143 608417109 /nfs/dbraw/zinc/41/71/09/608417109.db2.gz QUTPSLOTMYLAOD-WFASDCNBSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@H]1CCC[C@H]1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000826146143 608417110 /nfs/dbraw/zinc/41/71/10/608417110.db2.gz QUTPSLOTMYLAOD-WFASDCNBSA-N -1 3 324.388 2.642 20 0 DFADHM Cc1ccc2c(c1)CCN2Cc1cccc(-c2nnn[n-]2)c1F ZINC000826294710 608421282 /nfs/dbraw/zinc/42/12/82/608421282.db2.gz ZMTZVSKGLJPWJG-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1ccc2c(c1)CCN2Cc1cccc(-c2nn[n-]n2)c1F ZINC000826294710 608421283 /nfs/dbraw/zinc/42/12/83/608421283.db2.gz ZMTZVSKGLJPWJG-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM O=C(C=C1CCCCC1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826399837 608445409 /nfs/dbraw/zinc/44/54/09/608445409.db2.gz HJOHIESRGBTJIN-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM O=C(C=C1CCCCC1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826399837 608445411 /nfs/dbraw/zinc/44/54/11/608445411.db2.gz HJOHIESRGBTJIN-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM COc1ccc(CCOc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826192422 608475702 /nfs/dbraw/zinc/47/57/02/608475702.db2.gz NAHUEUOOWYUSIK-UHFFFAOYSA-N -1 3 310.357 2.805 20 0 DFADHM COc1ccc(CCOc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826192422 608475703 /nfs/dbraw/zinc/47/57/03/608475703.db2.gz NAHUEUOOWYUSIK-UHFFFAOYSA-N -1 3 310.357 2.805 20 0 DFADHM CSC(C)(C)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826225182 608478235 /nfs/dbraw/zinc/47/82/35/608478235.db2.gz VSPVRASNURKUHI-CMDGGOBGSA-N -1 3 318.402 2.565 20 0 DFADHM CSC(C)(C)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826225182 608478237 /nfs/dbraw/zinc/47/82/37/608478237.db2.gz VSPVRASNURKUHI-CMDGGOBGSA-N -1 3 318.402 2.565 20 0 DFADHM Fc1cc(F)cc(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826372627 608479614 /nfs/dbraw/zinc/47/96/14/608479614.db2.gz FYYVPVJBPZHFPL-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cc(F)cc(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826372627 608479616 /nfs/dbraw/zinc/47/96/16/608479616.db2.gz FYYVPVJBPZHFPL-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM C[C@@H](NCc1nc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824635031 608488724 /nfs/dbraw/zinc/48/87/24/608488724.db2.gz XYMKXHICFDWULQ-LLVKDONJSA-N -1 3 320.356 2.859 20 0 DFADHM O=C(NOC1CCCC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826449778 608496213 /nfs/dbraw/zinc/49/62/13/608496213.db2.gz JLYBJZXPYKAEQS-UHFFFAOYSA-N -1 3 322.756 2.516 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CC=C(c2ccccc2)C1 ZINC000826350863 608584493 /nfs/dbraw/zinc/58/44/93/608584493.db2.gz OGPZMRBMANXQAZ-UHFFFAOYSA-N -1 3 324.775 2.819 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CC=C(c2ccccc2)C1 ZINC000826350863 608584494 /nfs/dbraw/zinc/58/44/94/608584494.db2.gz OGPZMRBMANXQAZ-UHFFFAOYSA-N -1 3 324.775 2.819 20 0 DFADHM CC(C)[C@H](O)C1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824198732 608586337 /nfs/dbraw/zinc/58/63/37/608586337.db2.gz CWQMGSMGYGJOBQ-ZDUSSCGKSA-N -1 3 321.812 2.729 20 0 DFADHM CC(C)[C@H](O)C1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824198732 608586339 /nfs/dbraw/zinc/58/63/39/608586339.db2.gz CWQMGSMGYGJOBQ-ZDUSSCGKSA-N -1 3 321.812 2.729 20 0 DFADHM CO[C@@H]1[C@H](C)[C@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)C1(C)C ZINC000826144902 608587791 /nfs/dbraw/zinc/58/77/91/608587791.db2.gz VHXUGYBNQLBJBS-HYJLZEBJSA-N -1 3 323.347 2.616 20 0 DFADHM CO[C@@H]1[C@H](C)[C@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000826144902 608587792 /nfs/dbraw/zinc/58/77/92/608587792.db2.gz VHXUGYBNQLBJBS-HYJLZEBJSA-N -1 3 323.347 2.616 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000826278109 608601068 /nfs/dbraw/zinc/60/10/68/608601068.db2.gz RHBPSUJEQHCSLW-ZYHUDNBSSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000826278109 608601072 /nfs/dbraw/zinc/60/10/72/608601072.db2.gz RHBPSUJEQHCSLW-ZYHUDNBSSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@H](C)[C@H]2C)cccc1-c1nnn[n-]1 ZINC000826242041 608609350 /nfs/dbraw/zinc/60/93/50/608609350.db2.gz XUBDSZLGWWEIIM-CMPLNLGQSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@H](C)[C@H]2C)cccc1-c1nn[n-]n1 ZINC000826242041 608609353 /nfs/dbraw/zinc/60/93/53/608609353.db2.gz XUBDSZLGWWEIIM-CMPLNLGQSA-N -1 3 314.393 2.827 20 0 DFADHM O=C(Oc1c(F)cccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000826467675 608673156 /nfs/dbraw/zinc/67/31/56/608673156.db2.gz IDBZFFQFKVVHHW-UHFFFAOYSA-N -1 3 324.724 2.940 20 0 DFADHM Fc1ccc2c(c1)CN(Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000826376264 608699476 /nfs/dbraw/zinc/69/94/76/608699476.db2.gz VQUCXUUIDJQSJD-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1ccc2c(c1)CN(Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000826376264 608699477 /nfs/dbraw/zinc/69/94/77/608699477.db2.gz VQUCXUUIDJQSJD-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccc(Cl)c(F)c1 ZINC000825965861 608740626 /nfs/dbraw/zinc/74/06/26/608740626.db2.gz GPCBHUMXHQLZEO-UHFFFAOYSA-N -1 3 321.743 2.884 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc(Cl)c(F)c1 ZINC000825965861 608740627 /nfs/dbraw/zinc/74/06/27/608740627.db2.gz GPCBHUMXHQLZEO-UHFFFAOYSA-N -1 3 321.743 2.884 20 0 DFADHM CC(C)Oc1ccccc1CNc1cnccc1-c1nnn[n-]1 ZINC000824334614 608776208 /nfs/dbraw/zinc/77/62/08/608776208.db2.gz ZDMZPRWCVONIHH-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)Oc1ccccc1CNc1cnccc1-c1nn[n-]n1 ZINC000824334614 608776210 /nfs/dbraw/zinc/77/62/10/608776210.db2.gz ZDMZPRWCVONIHH-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CN(CCCCNc1cnccc1-c1nnn[n-]1)c1ccccc1 ZINC000825918277 608777829 /nfs/dbraw/zinc/77/78/29/608777829.db2.gz DDOHTUCHKOKEJM-UHFFFAOYSA-N -1 3 323.404 2.590 20 0 DFADHM CN(CCCCNc1cnccc1-c1nn[n-]n1)c1ccccc1 ZINC000825918277 608777831 /nfs/dbraw/zinc/77/78/31/608777831.db2.gz DDOHTUCHKOKEJM-UHFFFAOYSA-N -1 3 323.404 2.590 20 0 DFADHM Cc1ccccc1C1(CNc2cnccc2-c2nnn[n-]2)CC1 ZINC000826306611 608779601 /nfs/dbraw/zinc/77/96/01/608779601.db2.gz FPZLHGQCCRIHOX-UHFFFAOYSA-N -1 3 306.373 2.714 20 0 DFADHM Cc1ccccc1C1(CNc2cnccc2-c2nn[n-]n2)CC1 ZINC000826306611 608779602 /nfs/dbraw/zinc/77/96/02/608779602.db2.gz FPZLHGQCCRIHOX-UHFFFAOYSA-N -1 3 306.373 2.714 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1cnccc1-c1nnn[n-]1 ZINC000824080401 608785563 /nfs/dbraw/zinc/78/55/63/608785563.db2.gz WJSYGRUXVCVZQW-FZMZJTMJSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1cnccc1-c1nn[n-]n1 ZINC000824080401 608785565 /nfs/dbraw/zinc/78/55/65/608785565.db2.gz WJSYGRUXVCVZQW-FZMZJTMJSA-N -1 3 316.409 2.515 20 0 DFADHM c1ccc2c(c1)CCS[C@H]2CNc1cnccc1-c1nnn[n-]1 ZINC000826523529 608791213 /nfs/dbraw/zinc/79/12/13/608791213.db2.gz PMVVHWGGOJRKHJ-HNNXBMFYSA-N -1 3 324.413 2.704 20 0 DFADHM c1ccc2c(c1)CCS[C@H]2CNc1cnccc1-c1nn[n-]n1 ZINC000826523529 608791214 /nfs/dbraw/zinc/79/12/14/608791214.db2.gz PMVVHWGGOJRKHJ-HNNXBMFYSA-N -1 3 324.413 2.704 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCC2(C)Cc3ccccc3C2)n1 ZINC000826275600 608799013 /nfs/dbraw/zinc/79/90/13/608799013.db2.gz FBFMAUCCPLINAT-UHFFFAOYSA-N -1 3 320.400 2.787 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCC2(C)Cc3ccccc3C2)n1 ZINC000826275600 608799014 /nfs/dbraw/zinc/79/90/14/608799014.db2.gz FBFMAUCCPLINAT-UHFFFAOYSA-N -1 3 320.400 2.787 20 0 DFADHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1cc(Cl)cn1C ZINC000825953278 608836327 /nfs/dbraw/zinc/83/63/27/608836327.db2.gz CNZICCSEFFRDID-UHFFFAOYSA-N -1 3 322.825 2.552 20 0 DFADHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1cc(Cl)cn1C ZINC000825953278 608836328 /nfs/dbraw/zinc/83/63/28/608836328.db2.gz CNZICCSEFFRDID-UHFFFAOYSA-N -1 3 322.825 2.552 20 0 DFADHM FC(F)(F)c1cccnc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826368814 608869474 /nfs/dbraw/zinc/86/94/74/608869474.db2.gz CBFDZRGJONXLIM-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM FC(F)(F)c1cccnc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826368814 608869475 /nfs/dbraw/zinc/86/94/75/608869475.db2.gz CBFDZRGJONXLIM-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM C[C@H](Nc1ccc2c(c1)OCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824657611 609159648 /nfs/dbraw/zinc/15/96/48/609159648.db2.gz RQLKREOXFSWUAR-JTQLQIEISA-N -1 3 309.329 2.769 20 0 DFADHM C[C@H](Nc1ccc2c(c1)OCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824657611 609159650 /nfs/dbraw/zinc/15/96/50/609159650.db2.gz RQLKREOXFSWUAR-JTQLQIEISA-N -1 3 309.329 2.769 20 0 DFADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824908333 609175856 /nfs/dbraw/zinc/17/58/56/609175856.db2.gz NZAWHZHDVXWSRZ-RKDXNWHRSA-N -1 3 315.299 2.623 20 0 DFADHM CC(C)CCCCCCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824244079 609191627 /nfs/dbraw/zinc/19/16/27/609191627.db2.gz QJIIVNSQMCLSNC-UHFFFAOYSA-N -1 3 304.398 2.531 20 0 DFADHM CC(C)CCCCCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824244079 609191629 /nfs/dbraw/zinc/19/16/29/609191629.db2.gz QJIIVNSQMCLSNC-UHFFFAOYSA-N -1 3 304.398 2.531 20 0 DFADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824079242 609194726 /nfs/dbraw/zinc/19/47/26/609194726.db2.gz NNBLLPUDYQBUTE-VXGBXAGGSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824079242 609194727 /nfs/dbraw/zinc/19/47/27/609194727.db2.gz NNBLLPUDYQBUTE-VXGBXAGGSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824079241 609194754 /nfs/dbraw/zinc/19/47/54/609194754.db2.gz NNBLLPUDYQBUTE-RYUDHWBXSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824079241 609194755 /nfs/dbraw/zinc/19/47/55/609194755.db2.gz NNBLLPUDYQBUTE-RYUDHWBXSA-N -1 3 316.409 2.530 20 0 DFADHM CCCCC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC000825265889 609213077 /nfs/dbraw/zinc/21/30/77/609213077.db2.gz CFUSEOFEYNWHRA-CYBMUJFWSA-N -1 3 318.425 2.920 20 0 DFADHM CCCCC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000825265889 609213079 /nfs/dbraw/zinc/21/30/79/609213079.db2.gz CFUSEOFEYNWHRA-CYBMUJFWSA-N -1 3 318.425 2.920 20 0 DFADHM CCCn1cc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC000825363323 609245421 /nfs/dbraw/zinc/24/54/21/609245421.db2.gz XXHJDKRFUDPROV-INIZCTEOSA-N -1 3 323.404 2.963 20 0 DFADHM CCCn1cc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC000825363323 609245422 /nfs/dbraw/zinc/24/54/22/609245422.db2.gz XXHJDKRFUDPROV-INIZCTEOSA-N -1 3 323.404 2.963 20 0 DFADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)nc1 ZINC000826210369 609245835 /nfs/dbraw/zinc/24/58/35/609245835.db2.gz OLWLWXLRDTXHJK-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)nc1 ZINC000826210369 609245836 /nfs/dbraw/zinc/24/58/36/609245836.db2.gz OLWLWXLRDTXHJK-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM CC(C)CCc1nnc(NCc2ccc(-c3nnn[n-]3)s2)o1 ZINC000824249639 609265527 /nfs/dbraw/zinc/26/55/27/609265527.db2.gz QJMNQIGPCYOXJC-UHFFFAOYSA-N -1 3 319.394 2.512 20 0 DFADHM CCN(CC(C)C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825399598 609296377 /nfs/dbraw/zinc/29/63/77/609296377.db2.gz ZAWWRWQRPUKWQC-UHFFFAOYSA-N -1 3 307.785 2.638 20 0 DFADHM CCN(CC(C)C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825399598 609296379 /nfs/dbraw/zinc/29/63/79/609296379.db2.gz ZAWWRWQRPUKWQC-UHFFFAOYSA-N -1 3 307.785 2.638 20 0 DFADHM Clc1ccc(CSc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC000826351795 609309757 /nfs/dbraw/zinc/30/97/57/609309757.db2.gz AZBWRHANZBARBU-UHFFFAOYSA-N -1 3 304.766 2.602 20 0 DFADHM Clc1ccc(CSc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC000826351795 609309760 /nfs/dbraw/zinc/30/97/60/609309760.db2.gz AZBWRHANZBARBU-UHFFFAOYSA-N -1 3 304.766 2.602 20 0 DFADHM CC1(C)C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C(C)(C)O1 ZINC000824790369 609318739 /nfs/dbraw/zinc/31/87/39/609318739.db2.gz MNGFDWOJPMVBTI-LLVKDONJSA-N -1 3 305.357 2.764 20 0 DFADHM CC1(C)C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C(C)(C)O1 ZINC000824790369 609318740 /nfs/dbraw/zinc/31/87/40/609318740.db2.gz MNGFDWOJPMVBTI-LLVKDONJSA-N -1 3 305.357 2.764 20 0 DFADHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@@H]1F ZINC000824961426 609318941 /nfs/dbraw/zinc/31/89/41/609318941.db2.gz CNXVTHKUHMTDHF-GWCFXTLKSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@@H]1F ZINC000824961426 609318943 /nfs/dbraw/zinc/31/89/43/609318943.db2.gz CNXVTHKUHMTDHF-GWCFXTLKSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C[C@H]1F ZINC000824962350 609319368 /nfs/dbraw/zinc/31/93/68/609319368.db2.gz TXQYZXRPPWLCHT-ZWNOBZJWSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C[C@H]1F ZINC000824962350 609319369 /nfs/dbraw/zinc/31/93/69/609319369.db2.gz TXQYZXRPPWLCHT-ZWNOBZJWSA-N -1 3 312.352 2.599 20 0 DFADHM CC1(C)CC[C@@H](C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000824796378 609380284 /nfs/dbraw/zinc/38/02/84/609380284.db2.gz PCBNAKXFGDLCKQ-SECBINFHSA-N -1 3 303.341 2.771 20 0 DFADHM CC1(C)CC[C@@H](C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000824796378 609380288 /nfs/dbraw/zinc/38/02/88/609380288.db2.gz PCBNAKXFGDLCKQ-SECBINFHSA-N -1 3 303.341 2.771 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000826185915 609381152 /nfs/dbraw/zinc/38/11/52/609381152.db2.gz XYDPUMLKRDHNHE-LLVKDONJSA-N -1 3 315.377 2.640 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000826185915 609381153 /nfs/dbraw/zinc/38/11/53/609381153.db2.gz XYDPUMLKRDHNHE-LLVKDONJSA-N -1 3 315.377 2.640 20 0 DFADHM C[C@H]1CC[C@@]2(CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC000824917137 609390370 /nfs/dbraw/zinc/39/03/70/609390370.db2.gz MCUCSJZKHRVJQA-ZUZCIYMTSA-N -1 3 318.812 2.932 20 0 DFADHM C[C@H]1CC[C@@]2(CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC000824917137 609390371 /nfs/dbraw/zinc/39/03/71/609390371.db2.gz MCUCSJZKHRVJQA-ZUZCIYMTSA-N -1 3 318.812 2.932 20 0 DFADHM Clc1cc(-c2nn[n-]n2)ccc1-n1ccc(NCC2CC2)n1 ZINC000826350911 609444306 /nfs/dbraw/zinc/44/43/06/609444306.db2.gz PUQSECCOIRNRNX-UHFFFAOYSA-N -1 3 315.768 2.528 20 0 DFADHM c1cc(-c2nnn[n-]2)ccc1CNc1cnc2c(c1)CCCC2 ZINC000826514206 609445430 /nfs/dbraw/zinc/44/54/30/609445430.db2.gz KFIMVDARLGXSPU-UHFFFAOYSA-N -1 3 306.373 2.753 20 0 DFADHM c1cc(-c2nn[n-]n2)ccc1CNc1cnc2c(c1)CCCC2 ZINC000826514206 609445433 /nfs/dbraw/zinc/44/54/33/609445433.db2.gz KFIMVDARLGXSPU-UHFFFAOYSA-N -1 3 306.373 2.753 20 0 DFADHM c1cc(-c2nnn[n-]2)sc1CNc1cnc2c(c1)CCCC2 ZINC000826526803 609445458 /nfs/dbraw/zinc/44/54/58/609445458.db2.gz NHDNWDLUXYLVBH-UHFFFAOYSA-N -1 3 312.402 2.814 20 0 DFADHM C[C@@H](CCc1ccco1)Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000824412673 609456034 /nfs/dbraw/zinc/45/60/34/609456034.db2.gz DJAJWHYHNQIBRQ-NSHDSACASA-N -1 3 323.360 2.541 20 0 DFADHM C[C@@H](CCc1ccco1)Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000824412673 609456036 /nfs/dbraw/zinc/45/60/36/609456036.db2.gz DJAJWHYHNQIBRQ-NSHDSACASA-N -1 3 323.360 2.541 20 0 DFADHM CCSc1cccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000825675147 609460103 /nfs/dbraw/zinc/46/01/03/609460103.db2.gz XMSZFAPBBNHGNB-UHFFFAOYSA-N -1 3 314.374 2.559 20 0 DFADHM CCSc1cccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000825675147 609460105 /nfs/dbraw/zinc/46/01/05/609460105.db2.gz XMSZFAPBBNHGNB-UHFFFAOYSA-N -1 3 314.374 2.559 20 0 DFADHM C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824507053 609475920 /nfs/dbraw/zinc/47/59/20/609475920.db2.gz SLHIYRFXAGEKHG-STQMWFEESA-N -1 3 321.384 2.848 20 0 DFADHM C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824507053 609475921 /nfs/dbraw/zinc/47/59/21/609475921.db2.gz SLHIYRFXAGEKHG-STQMWFEESA-N -1 3 321.384 2.848 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccs1 ZINC000825631909 609476386 /nfs/dbraw/zinc/47/63/86/609476386.db2.gz IPPFLHVLOFPXLA-UHFFFAOYSA-N -1 3 301.375 2.939 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccs1 ZINC000825631909 609476387 /nfs/dbraw/zinc/47/63/87/609476387.db2.gz IPPFLHVLOFPXLA-UHFFFAOYSA-N -1 3 301.375 2.939 20 0 DFADHM CO[C@H]1Cc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2C1 ZINC000826147311 609481184 /nfs/dbraw/zinc/48/11/84/609481184.db2.gz SJRVJDGSXFPVAJ-KRWDZBQOSA-N -1 3 321.384 2.592 20 0 DFADHM CO[C@H]1Cc2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2C1 ZINC000826147311 609481187 /nfs/dbraw/zinc/48/11/87/609481187.db2.gz SJRVJDGSXFPVAJ-KRWDZBQOSA-N -1 3 321.384 2.592 20 0 DFADHM Cc1cccn2c(CNc3cccc(-c4nn[n-]n4)c3C)cnc12 ZINC000826242298 609485858 /nfs/dbraw/zinc/48/58/58/609485858.db2.gz JCAKCXXSMYFPAG-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM CN(C[C@@H]1CC=CCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825908613 609495295 /nfs/dbraw/zinc/49/52/95/609495295.db2.gz JZIXQXAJOBHDAG-GFCCVEGCSA-N -1 3 312.377 2.687 20 0 DFADHM CN(C[C@@H]1CC=CCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825908613 609495296 /nfs/dbraw/zinc/49/52/96/609495296.db2.gz JZIXQXAJOBHDAG-GFCCVEGCSA-N -1 3 312.377 2.687 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCC[C@H]1C ZINC000825621674 609495396 /nfs/dbraw/zinc/49/53/96/609495396.db2.gz WXQDZXLPEJYAAQ-ZYHUDNBSSA-N -1 3 315.377 2.640 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCC[C@H]1C ZINC000825621674 609495398 /nfs/dbraw/zinc/49/53/98/609495398.db2.gz WXQDZXLPEJYAAQ-ZYHUDNBSSA-N -1 3 315.377 2.640 20 0 DFADHM CC(C)OCCCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824309422 609503741 /nfs/dbraw/zinc/50/37/41/609503741.db2.gz NZBDULGZYFPKBA-GFCCVEGCSA-N -1 3 318.377 2.676 20 0 DFADHM CC(C)OCCCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824309422 609503742 /nfs/dbraw/zinc/50/37/42/609503742.db2.gz NZBDULGZYFPKBA-GFCCVEGCSA-N -1 3 318.377 2.676 20 0 DFADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824927810 609507461 /nfs/dbraw/zinc/50/74/61/609507461.db2.gz QINFHYMFNCDCFW-PSASIEDQSA-N -1 3 305.769 2.895 20 0 DFADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824927810 609507463 /nfs/dbraw/zinc/50/74/63/609507463.db2.gz QINFHYMFNCDCFW-PSASIEDQSA-N -1 3 305.769 2.895 20 0 DFADHM Cc1c(NC(=O)[C@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826242178 609508641 /nfs/dbraw/zinc/50/86/41/609508641.db2.gz DFOZLJZYSXHAHB-LLVKDONJSA-N -1 3 307.357 2.917 20 0 DFADHM Cc1c(NC(=O)[C@H](C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826242178 609508643 /nfs/dbraw/zinc/50/86/43/609508643.db2.gz DFOZLJZYSXHAHB-LLVKDONJSA-N -1 3 307.357 2.917 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)[C@@H](C)CC ZINC000825609383 609510530 /nfs/dbraw/zinc/51/05/30/609510530.db2.gz LTKXMGNFXNOIOI-QWRGUYRKSA-N -1 3 318.377 2.853 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)[C@@H](C)CC ZINC000825609383 609510533 /nfs/dbraw/zinc/51/05/33/609510533.db2.gz LTKXMGNFXNOIOI-QWRGUYRKSA-N -1 3 318.377 2.853 20 0 DFADHM c1cc(OCCCS[C@H]2CCCOC2)cc(-c2nnn[n-]2)c1 ZINC000826517408 609527197 /nfs/dbraw/zinc/52/71/97/609527197.db2.gz BLORLJKHASYDQI-AWEZNQCLSA-N -1 3 320.418 2.548 20 0 DFADHM c1cc(OCCCS[C@H]2CCCOC2)cc(-c2nn[n-]n2)c1 ZINC000826517408 609527199 /nfs/dbraw/zinc/52/71/99/609527199.db2.gz BLORLJKHASYDQI-AWEZNQCLSA-N -1 3 320.418 2.548 20 0 DFADHM C[C@H]1CC(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)C[C@H](C)C1 ZINC000824875393 609536427 /nfs/dbraw/zinc/53/64/27/609536427.db2.gz MIYURQCGFBGKLI-VXGBXAGGSA-N -1 3 313.405 2.902 20 0 DFADHM C[C@H]1CC(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)C[C@H](C)C1 ZINC000824875393 609536430 /nfs/dbraw/zinc/53/64/30/609536430.db2.gz MIYURQCGFBGKLI-VXGBXAGGSA-N -1 3 313.405 2.902 20 0 DFADHM C[C@H]1C[C@H](C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000824875391 609536633 /nfs/dbraw/zinc/53/66/33/609536633.db2.gz MIYURQCGFBGKLI-IMRBUKKESA-N -1 3 313.405 2.902 20 0 DFADHM C[C@H]1C[C@H](C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000824875391 609536635 /nfs/dbraw/zinc/53/66/35/609536635.db2.gz MIYURQCGFBGKLI-IMRBUKKESA-N -1 3 313.405 2.902 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@H]2C(C)C)c1-c1nnn[n-]1 ZINC000826237832 609539529 /nfs/dbraw/zinc/53/95/29/609539529.db2.gz MXMOKERLGBIUPF-NSHDSACASA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@H]2C(C)C)c1-c1nn[n-]n1 ZINC000826237832 609539530 /nfs/dbraw/zinc/53/95/30/609539530.db2.gz MXMOKERLGBIUPF-NSHDSACASA-N -1 3 306.801 2.848 20 0 DFADHM Cc1ccnc(N[C@@H]2CCCOc3ccccc32)c1-c1nnn[n-]1 ZINC000826312936 609544793 /nfs/dbraw/zinc/54/47/93/609544793.db2.gz RSPLTWLIXROBMR-CYBMUJFWSA-N -1 3 322.372 2.896 20 0 DFADHM Cc1ccnc(N[C@@H]2CCCOc3ccccc32)c1-c1nn[n-]n1 ZINC000826312936 609544795 /nfs/dbraw/zinc/54/47/95/609544795.db2.gz RSPLTWLIXROBMR-CYBMUJFWSA-N -1 3 322.372 2.896 20 0 DFADHM CCC[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccccn1 ZINC000825241898 609548987 /nfs/dbraw/zinc/54/89/87/609548987.db2.gz CRBWTGUDKZKZNL-ZDUSSCGKSA-N -1 3 309.377 2.918 20 0 DFADHM CCC[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccccn1 ZINC000825241898 609548989 /nfs/dbraw/zinc/54/89/89/609548989.db2.gz CRBWTGUDKZKZNL-ZDUSSCGKSA-N -1 3 309.377 2.918 20 0 DFADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC000824865809 609556942 /nfs/dbraw/zinc/55/69/42/609556942.db2.gz JQKGEXSANSEBDH-CMPLNLGQSA-N -1 3 314.393 2.663 20 0 DFADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC000824865809 609556945 /nfs/dbraw/zinc/55/69/45/609556945.db2.gz JQKGEXSANSEBDH-CMPLNLGQSA-N -1 3 314.393 2.663 20 0 DFADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC000824865812 609557369 /nfs/dbraw/zinc/55/73/69/609557369.db2.gz JQKGEXSANSEBDH-PWSUYJOCSA-N -1 3 314.393 2.663 20 0 DFADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC000824865812 609557370 /nfs/dbraw/zinc/55/73/70/609557370.db2.gz JQKGEXSANSEBDH-PWSUYJOCSA-N -1 3 314.393 2.663 20 0 DFADHM Cc1ccnc(N[C@@H]2CSc3ccccc32)c1-c1nnn[n-]1 ZINC000826313029 609557824 /nfs/dbraw/zinc/55/78/24/609557824.db2.gz UYDCIMJNCXQYDJ-LLVKDONJSA-N -1 3 310.386 2.829 20 0 DFADHM Cc1ccnc(N[C@@H]2CSc3ccccc32)c1-c1nn[n-]n1 ZINC000826313029 609557826 /nfs/dbraw/zinc/55/78/26/609557826.db2.gz UYDCIMJNCXQYDJ-LLVKDONJSA-N -1 3 310.386 2.829 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@@H](C)[C@H]2C)c1-c1nnn[n-]1 ZINC000826238083 609559358 /nfs/dbraw/zinc/55/93/58/609559358.db2.gz VWWUTGOERWLZAJ-PSASIEDQSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000826238083 609559360 /nfs/dbraw/zinc/55/93/60/609559360.db2.gz VWWUTGOERWLZAJ-PSASIEDQSA-N -1 3 306.801 2.848 20 0 DFADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)[C@H]1CCCOC1 ZINC000824658626 609561799 /nfs/dbraw/zinc/56/17/99/609561799.db2.gz YWKADWQPJBYOPV-RISCZKNCSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)[C@H]1CCCOC1 ZINC000824658626 609561801 /nfs/dbraw/zinc/56/18/01/609561801.db2.gz YWKADWQPJBYOPV-RISCZKNCSA-N -1 3 324.388 2.642 20 0 DFADHM CC[C@H]1C[C@@H](C)CN1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825182324 609564852 /nfs/dbraw/zinc/56/48/52/609564852.db2.gz HWKRMILJGMNTKF-SCZZXKLOSA-N -1 3 306.801 2.848 20 0 DFADHM CC[C@H]1C[C@@H](C)CN1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825182324 609564854 /nfs/dbraw/zinc/56/48/54/609564854.db2.gz HWKRMILJGMNTKF-SCZZXKLOSA-N -1 3 306.801 2.848 20 0 DFADHM CCSCC[C@@H](C)N(C)c1nccc(C)c1-c1nnn[n-]1 ZINC000825674857 609565813 /nfs/dbraw/zinc/56/58/13/609565813.db2.gz SYVJLZWVTNBJPJ-LLVKDONJSA-N -1 3 306.439 2.538 20 0 DFADHM CCSCC[C@@H](C)N(C)c1nccc(C)c1-c1nn[n-]n1 ZINC000825674857 609565816 /nfs/dbraw/zinc/56/58/16/609565816.db2.gz SYVJLZWVTNBJPJ-LLVKDONJSA-N -1 3 306.439 2.538 20 0 DFADHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825170827 609577859 /nfs/dbraw/zinc/57/78/59/609577859.db2.gz JATXEEMGPQXZCF-NWDGAFQWSA-N -1 3 316.409 2.576 20 0 DFADHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825170827 609577862 /nfs/dbraw/zinc/57/78/62/609577862.db2.gz JATXEEMGPQXZCF-NWDGAFQWSA-N -1 3 316.409 2.576 20 0 DFADHM Cc1c(Cl)cnc(N[C@H]2CCOC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826240013 609580995 /nfs/dbraw/zinc/58/09/95/609580995.db2.gz 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ZINC000462071588 299221985 /nfs/dbraw/zinc/22/19/85/299221985.db2.gz FIGFDUULVXOFQT-LYIWLLOFSA-N -1 3 311.350 2.844 20 0 DFADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000462121571 299222864 /nfs/dbraw/zinc/22/28/64/299222864.db2.gz PEUPWSXHVUNTSY-UHFFFAOYSA-N -1 3 305.374 2.990 20 0 DFADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000462282051 299223644 /nfs/dbraw/zinc/22/36/44/299223644.db2.gz UDLJBCMFVOLEMH-KYZUINATSA-N -1 3 307.337 2.961 20 0 DFADHM COC[C@@H](O)CCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000130885654 283064309 /nfs/dbraw/zinc/06/43/09/283064309.db2.gz DVGGNINUDMARJO-AWEZNQCLSA-N -1 3 323.433 2.766 20 0 DFADHM COC(=O)CN(C(=O)c1ccc([O-])c(C)c1)C1CCCCC1 ZINC000598003025 398736369 /nfs/dbraw/zinc/73/63/69/398736369.db2.gz QBTFOTYLQQUBBO-UHFFFAOYSA-N -1 3 305.374 2.649 20 0 DFADHM Cc1cccc(C(=O)N(C)Cc2nc3ccccc3n2C)c1[O-] ZINC000131231886 283076831 /nfs/dbraw/zinc/07/68/31/283076831.db2.gz HORATNXJXRCWDS-UHFFFAOYSA-N -1 3 309.369 2.860 20 0 DFADHM Cc1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)c(=O)n(C)c1 ZINC000332582650 235145573 /nfs/dbraw/zinc/14/55/73/235145573.db2.gz GZZYPKNFEGSTKW-UHFFFAOYSA-N -1 3 312.369 2.530 20 0 DFADHM Cc1nc2cc([N-]S(=O)(=O)CCc3ccccc3)ccc2[nH]1 ZINC000074819797 191366284 /nfs/dbraw/zinc/36/62/84/191366284.db2.gz MCAYTIBNIOAHPM-UHFFFAOYSA-N -1 3 315.398 2.856 20 0 DFADHM CO[C@@H](C[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000074969587 191398717 /nfs/dbraw/zinc/39/87/17/191398717.db2.gz MGJZEBMUSNNDGA-LBPRGKRZSA-N -1 3 315.391 2.553 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1coc(C2CCOCC2)n1 ZINC000332641484 235232697 /nfs/dbraw/zinc/23/26/97/235232697.db2.gz JBCPPOUFYZDJDY-UHFFFAOYSA-N -1 3 306.293 2.666 20 0 DFADHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000462714563 299229939 /nfs/dbraw/zinc/22/99/39/299229939.db2.gz HCQMRAQGKYSOTJ-ZDUSSCGKSA-N -1 3 323.389 2.880 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H](CO)C1)c1cc2c(cc1[O-])CCCC2 ZINC000332656609 235250218 /nfs/dbraw/zinc/25/02/18/235250218.db2.gz ZQAKWHQHPMSYJJ-IUODEOHRSA-N -1 3 303.402 2.552 20 0 DFADHM CC(C)c1cc(CNC(=O)c2c[n-]c3ccccc3c2=O)on1 ZINC000114433227 398744735 /nfs/dbraw/zinc/74/47/35/398744735.db2.gz AKYFTOHQFINYBD-UHFFFAOYSA-N -1 3 311.341 2.570 20 0 DFADHM CC(C)c1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2)on1 ZINC000114499501 398745472 /nfs/dbraw/zinc/74/54/72/398745472.db2.gz CGQPLXIDSRFORC-UHFFFAOYSA-N -1 3 314.794 2.930 20 0 DFADHM COCCOc1cc(C)ccc1CNC(=O)c1ccccc1[O-] ZINC000132119977 283110306 /nfs/dbraw/zinc/11/03/06/283110306.db2.gz VTTFTICXYIKOBT-UHFFFAOYSA-N -1 3 315.369 2.656 20 0 DFADHM O=C(Nc1cccc2c1OCCO2)c1cc(-c2ccco2)[n-]n1 ZINC000132255115 283113700 /nfs/dbraw/zinc/11/37/00/283113700.db2.gz BFPJLCXFYLRRDA-UHFFFAOYSA-N -1 3 311.297 2.693 20 0 DFADHM O=C(Nc1cccc2c1OCCO2)c1cc(-c2ccco2)n[n-]1 ZINC000132255115 283113703 /nfs/dbraw/zinc/11/37/03/283113703.db2.gz BFPJLCXFYLRRDA-UHFFFAOYSA-N -1 3 311.297 2.693 20 0 DFADHM CCc1cc(C(=O)N[C@@]2(C(=O)OC)CC[C@H](C)CC2)ccc1[O-] ZINC000598102651 398755564 /nfs/dbraw/zinc/75/55/64/398755564.db2.gz WWZOATZPJFAOLQ-KSMLVUNXSA-N -1 3 319.401 2.806 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2ccccc2CC1 ZINC000116217102 398759503 /nfs/dbraw/zinc/75/95/03/398759503.db2.gz PNTGVSBLXBCYRM-UHFFFAOYSA-N -1 3 318.376 2.769 20 0 DFADHM CCN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)c1cc(C)cc(C)c1 ZINC000463330699 299236802 /nfs/dbraw/zinc/23/68/02/299236802.db2.gz TYIOYSZWTAXFKT-UHFFFAOYSA-N -1 3 314.389 2.532 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1c([O-])cc(F)cc1F ZINC000594177856 398760215 /nfs/dbraw/zinc/76/02/15/398760215.db2.gz WQQDRKRIEUSISD-GHMZBOCLSA-N -1 3 312.360 2.663 20 0 DFADHM CCn1nc(C(C)C)cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000133204034 283143941 /nfs/dbraw/zinc/14/39/41/283143941.db2.gz MOAFKCDOXWNXSG-UHFFFAOYSA-N -1 3 305.353 2.801 20 0 DFADHM CCc1nc(C[N-]S(=O)(=O)c2cc(C)cc(F)c2)cs1 ZINC000080751789 192186805 /nfs/dbraw/zinc/18/68/05/192186805.db2.gz UDALHHDENGGHFN-UHFFFAOYSA-N -1 3 314.407 2.632 20 0 DFADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@H](COC)c1ccc(C)o1 ZINC000080789380 192190283 /nfs/dbraw/zinc/19/02/83/192190283.db2.gz NRKSCSBFSJHILO-DGCLKSJQSA-N -1 3 303.424 2.631 20 0 DFADHM O=C(NCc1ncc(-c2ccccc2)o1)c1ccc2n[n-]nc2c1 ZINC000047927460 398764099 /nfs/dbraw/zinc/76/40/99/398764099.db2.gz RYTRSCPLDNYZBF-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM CCC[C@H](NC(=O)c1ccccc1[O-])c1nnc2ccccn21 ZINC000133549891 283154386 /nfs/dbraw/zinc/15/43/86/283154386.db2.gz AWXKEANTFANDQG-ZDUSSCGKSA-N -1 3 310.357 2.706 20 0 DFADHM Cc1cnc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)nc1 ZINC000133676863 283158698 /nfs/dbraw/zinc/15/86/98/283158698.db2.gz USNCVXDMHOLTTN-UHFFFAOYSA-N -1 3 306.247 2.707 20 0 DFADHM O=C(CCCc1ccccc1)[N-]OCc1nccn1C(F)F ZINC000081079679 192223609 /nfs/dbraw/zinc/22/36/09/192223609.db2.gz OEFLHHRDWDQWBM-UHFFFAOYSA-N -1 3 309.316 2.849 20 0 DFADHM CCCCOCC(=O)Nc1ccc(Br)cc1[O-] ZINC000118313410 398769504 /nfs/dbraw/zinc/76/95/04/398769504.db2.gz VFMSGSVFOXYBPD-UHFFFAOYSA-N -1 3 302.168 2.910 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000048015255 398769632 /nfs/dbraw/zinc/76/96/32/398769632.db2.gz GSFBABMJDOWXQH-MRXNPFEDSA-N -1 3 324.380 2.944 20 0 DFADHM Cc1cccnc1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000134150741 283175072 /nfs/dbraw/zinc/17/50/72/283175072.db2.gz XICUZTWYSJQPSR-UHFFFAOYSA-N -1 3 302.355 2.615 20 0 DFADHM CCc1cccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1[O-] ZINC000119608309 398776886 /nfs/dbraw/zinc/77/68/86/398776886.db2.gz DDKPYJKZXMLUCZ-HNNXBMFYSA-N -1 3 312.369 2.643 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cccc(F)c1 ZINC000134281019 283180018 /nfs/dbraw/zinc/18/00/18/283180018.db2.gz GTFHNYVOVBURGB-UHFFFAOYSA-N -1 3 320.320 2.734 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000081651957 192307885 /nfs/dbraw/zinc/30/78/85/192307885.db2.gz LCXWNPREBNWJRU-HNNXBMFYSA-N -1 3 319.401 2.501 20 0 DFADHM CCSCC[C@@H](C)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000594303411 398781058 /nfs/dbraw/zinc/78/10/58/398781058.db2.gz CBJRJKQEPRQXDT-SNVBAGLBSA-N -1 3 309.435 2.663 20 0 DFADHM COc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000591683648 398780878 /nfs/dbraw/zinc/78/08/78/398780878.db2.gz QRQCJRSOYBJVII-UHFFFAOYSA-N -1 3 317.288 2.913 20 0 DFADHM CCC(=O)N[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000331235484 146581557 /nfs/dbraw/zinc/58/15/57/146581557.db2.gz LOQXQFGWOAIBDZ-AWEZNQCLSA-N -1 3 318.417 2.646 20 0 DFADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)no3)c2)n1 ZINC000049302305 398793627 /nfs/dbraw/zinc/79/36/27/398793627.db2.gz INJDYGQQYSLPLG-UHFFFAOYSA-N -1 3 324.340 2.548 20 0 DFADHM Cc1cc(C(=O)N[C@H](CC(=O)OC(C)C)C(C)C)ccc1[O-] ZINC000594407494 398794552 /nfs/dbraw/zinc/79/45/52/398794552.db2.gz KFGRIEIBNBENFJ-CQSZACIVSA-N -1 3 307.390 2.797 20 0 DFADHM CSc1ccc(C(=O)[N-]c2sccc2S(C)(=O)=O)o1 ZINC000135519933 283223268 /nfs/dbraw/zinc/22/32/68/283223268.db2.gz DFDVXDXRKUEUNK-UHFFFAOYSA-N -1 3 317.413 2.719 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)sc1Cl ZINC000276834312 213123042 /nfs/dbraw/zinc/12/30/42/213123042.db2.gz FMFRSSQPCYHJQO-VIFPVBQESA-N -1 3 309.840 2.557 20 0 DFADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc3ccccc3o2)s1 ZINC000150824148 283268189 /nfs/dbraw/zinc/26/81/89/283268189.db2.gz GPENLACUIRFTGW-UHFFFAOYSA-N -1 3 322.411 2.985 20 0 DFADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000416501335 295950794 /nfs/dbraw/zinc/95/07/94/295950794.db2.gz HLAFFRMMLDRMPH-SECBINFHSA-N -1 3 323.867 2.885 20 0 DFADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000276767744 213097448 /nfs/dbraw/zinc/09/74/48/213097448.db2.gz CDMFIRGWCWQVHV-LRDDRELGSA-N -1 3 315.373 2.886 20 0 DFADHM O=C(COC[C@@H]1CCCO1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125303712 398807508 /nfs/dbraw/zinc/80/75/08/398807508.db2.gz NMROGDAQZXSTEC-JTQLQIEISA-N -1 3 319.279 2.545 20 0 DFADHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)O1 ZINC000416528771 295952573 /nfs/dbraw/zinc/95/25/73/295952573.db2.gz DJYIAOVPAYABLR-WCBMZHEXSA-N -1 3 324.229 2.839 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C)O2)sc1Cl ZINC000416534680 295952854 /nfs/dbraw/zinc/95/28/54/295952854.db2.gz LEWRQTSHUKPHMN-IUCAKERBSA-N -1 3 309.840 2.556 20 0 DFADHM Cc1ccc([O-])c(CN[C@@H](C)c2nc(Cc3ccccc3)no2)n1 ZINC000276757778 213089813 /nfs/dbraw/zinc/08/98/13/213089813.db2.gz MHGKSDKSAXXKGR-ZDUSSCGKSA-N -1 3 324.384 2.920 20 0 DFADHM Cc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000151618389 283289930 /nfs/dbraw/zinc/28/99/30/283289930.db2.gz GISQLNBGZUPWBH-UHFFFAOYSA-N -1 3 310.147 2.986 20 0 DFADHM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(O)cc1[O-] ZINC000179409441 199031415 /nfs/dbraw/zinc/03/14/15/199031415.db2.gz LMOIKMZFTLDLHL-IUCAKERBSA-N -1 3 303.280 2.949 20 0 DFADHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2c(C)cccc2[O-])C1 ZINC000179552650 199054228 /nfs/dbraw/zinc/05/42/28/199054228.db2.gz TVHOEHJADWVYSI-JSGCOSHPSA-N -1 3 318.417 2.924 20 0 DFADHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2c(C)cccc2[O-])C1 ZINC000179552678 199054441 /nfs/dbraw/zinc/05/44/41/199054441.db2.gz TVHOEHJADWVYSI-GXTWGEPZSA-N -1 3 318.417 2.924 20 0 DFADHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000179566588 199055501 /nfs/dbraw/zinc/05/55/01/199055501.db2.gz OITADSNZUNOKAO-NSHDSACASA-N -1 3 301.390 2.868 20 0 DFADHM CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1[O-])C1CC1 ZINC000179659116 199071688 /nfs/dbraw/zinc/07/16/88/199071688.db2.gz WZAWMVOBLAEZND-UHFFFAOYSA-N -1 3 302.296 2.834 20 0 DFADHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000416624013 295959240 /nfs/dbraw/zinc/95/92/40/295959240.db2.gz NTUSMEHTOKUYDP-UHFFFAOYSA-N -1 3 323.817 2.961 20 0 DFADHM O=C(Nc1ccccc1[O-])C1CCN(Cc2ccco2)CC1 ZINC000179767952 199078227 /nfs/dbraw/zinc/07/82/27/199078227.db2.gz GIFCVKVOFMOGFF-UHFFFAOYSA-N -1 3 300.358 2.836 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc2cc[nH]c2c1 ZINC000127471288 398820748 /nfs/dbraw/zinc/82/07/48/398820748.db2.gz XIIHXUDFXIEETG-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc2cc[nH]c2c1 ZINC000127471288 398820750 /nfs/dbraw/zinc/82/07/50/398820750.db2.gz XIIHXUDFXIEETG-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc2cc[nH]c2c1 ZINC000127471288 398820753 /nfs/dbraw/zinc/82/07/53/398820753.db2.gz XIIHXUDFXIEETG-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM CCN(C[C@@H]1CCCO1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000051379681 398821128 /nfs/dbraw/zinc/82/11/28/398821128.db2.gz BIZYSGXGHRCFKQ-HNNXBMFYSA-N -1 3 303.402 2.912 20 0 DFADHM COC(=O)c1ccccc1-c1ccc(CNC[C@@H](C)C(=O)[O-])o1 ZINC000594541148 398818197 /nfs/dbraw/zinc/81/81/97/398818197.db2.gz PWOOHLVAMSNEBZ-LLVKDONJSA-N -1 3 317.341 2.544 20 0 DFADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)CC(C)C ZINC000416641434 295960021 /nfs/dbraw/zinc/96/00/21/295960021.db2.gz DLBFFDFNJYMXJC-SECBINFHSA-N -1 3 311.856 2.741 20 0 DFADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000184932719 199783515 /nfs/dbraw/zinc/78/35/15/199783515.db2.gz AITOEPFIKCDLBV-NSHDSACASA-N -1 3 303.399 2.616 20 0 DFADHM Cc1cc(C)c(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c(C)c1 ZINC000179818801 199084351 /nfs/dbraw/zinc/08/43/51/199084351.db2.gz SHABKAPVIVRMBY-UHFFFAOYSA-N -1 3 312.295 2.930 20 0 DFADHM Cc1cc(C)c(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c(C)c1 ZINC000179818801 199084353 /nfs/dbraw/zinc/08/43/53/199084353.db2.gz SHABKAPVIVRMBY-UHFFFAOYSA-N -1 3 312.295 2.930 20 0 DFADHM COc1cc[n-]c(=NNC(=O)CCCc2ccc(Cl)cc2)n1 ZINC000052582387 398846070 /nfs/dbraw/zinc/84/60/70/398846070.db2.gz NHWNFIKUCMETCL-UHFFFAOYSA-N -1 3 320.780 2.605 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccccn1)C(C)(C)c1ccccc1 ZINC000131709565 398852476 /nfs/dbraw/zinc/85/24/76/398852476.db2.gz FGEROOUIXMKTPB-ZDUSSCGKSA-N -1 3 304.415 2.726 20 0 DFADHM CC(C)CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000131211713 398850140 /nfs/dbraw/zinc/85/01/40/398850140.db2.gz AVXMAOCBOBMYCG-HNNXBMFYSA-N -1 3 318.417 2.501 20 0 DFADHM CCSc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cn1 ZINC000132893268 398859138 /nfs/dbraw/zinc/85/91/38/398859138.db2.gz HUEDNSGDHXWDQQ-UHFFFAOYSA-N -1 3 306.362 2.968 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-]CCC2(CSC)CC2)s1 ZINC000594815442 398859857 /nfs/dbraw/zinc/85/98/57/398859857.db2.gz CGXBAQHIVSFGDQ-UHFFFAOYSA-N -1 3 320.505 2.517 20 0 DFADHM O=S(=O)([N-]CC[C@H]1CCCCO1)c1ccc(Cl)s1 ZINC000180779427 199208188 /nfs/dbraw/zinc/20/81/88/199208188.db2.gz PAKVTZOBEBHELE-SECBINFHSA-N -1 3 309.840 2.639 20 0 DFADHM CC(=O)[N-]O[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000180806584 199211320 /nfs/dbraw/zinc/21/13/20/199211320.db2.gz QPUNIMRDQOLANQ-SSDOTTSWSA-N -1 3 315.251 2.884 20 0 DFADHM C[C@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@H](c2ccccc2)O1 ZINC000139852629 398887152 /nfs/dbraw/zinc/88/71/52/398887152.db2.gz CAVRINUHNYMCJO-YVEFUNNKSA-N -1 3 322.368 2.560 20 0 DFADHM CN(C)Cc1ccc(CNC(=O)c2ccccc2[O-])cc1F ZINC000155913018 283377100 /nfs/dbraw/zinc/37/71/00/283377100.db2.gz LUGXVOBJAFYVBM-UHFFFAOYSA-N -1 3 302.349 2.523 20 0 DFADHM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(O)cc1[O-] ZINC000171584940 283383724 /nfs/dbraw/zinc/38/37/24/283383724.db2.gz MPDUMLIFHKHSGY-UHFFFAOYSA-N -1 3 323.352 2.556 20 0 DFADHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccccn1)Cc1ccccc1 ZINC000469321728 299285580 /nfs/dbraw/zinc/28/55/80/299285580.db2.gz XOITVVDLGOJDEO-INIZCTEOSA-N -1 3 318.442 2.875 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2C[C@]2(C)C(C)C)c1 ZINC000186106263 199917634 /nfs/dbraw/zinc/91/76/34/199917634.db2.gz VHSULORZNWDETH-MLGOLLRUSA-N -1 3 324.446 2.987 20 0 DFADHM CCC[C@H]1CCCC[C@H]1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000077308901 398897070 /nfs/dbraw/zinc/89/70/70/398897070.db2.gz RZWXNDKYSQXLOU-GOEBONIOSA-N -1 3 319.449 2.794 20 0 DFADHM CC[C@](C)(OC)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000280980085 216001089 /nfs/dbraw/zinc/00/10/89/216001089.db2.gz MMXLCWNTDZEYIR-INIZCTEOSA-N -1 3 314.345 2.972 20 0 DFADHM CC[C@](C)(OC)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000280980085 216001092 /nfs/dbraw/zinc/00/10/92/216001092.db2.gz MMXLCWNTDZEYIR-INIZCTEOSA-N -1 3 314.345 2.972 20 0 DFADHM CC[C@](C)(OC)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000280980085 216001094 /nfs/dbraw/zinc/00/10/94/216001094.db2.gz MMXLCWNTDZEYIR-INIZCTEOSA-N -1 3 314.345 2.972 20 0 DFADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccccc1F ZINC000077393351 398901968 /nfs/dbraw/zinc/90/19/68/398901968.db2.gz UTQXZUZVDUXHAC-AWEZNQCLSA-N -1 3 321.373 2.855 20 0 DFADHM c1ccc(-c2nc(SCCO[C@@H]3CCCCO3)n[n-]2)nc1 ZINC000187689213 200145004 /nfs/dbraw/zinc/14/50/04/200145004.db2.gz OGWMZPASZUBXJE-GFCCVEGCSA-N -1 3 306.391 2.502 20 0 DFADHM Cc1cccc(OCCCCC(=O)[N-]OC[C@H]2CCOC2)c1 ZINC000187920914 200176988 /nfs/dbraw/zinc/17/69/88/200176988.db2.gz KLPVUZJKAQTKCX-HNNXBMFYSA-N -1 3 307.390 2.628 20 0 DFADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000187948255 200181142 /nfs/dbraw/zinc/18/11/42/200181142.db2.gz IEUBEOJPFAGPMI-XOKHGSTOSA-N -1 3 303.402 2.998 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CO)sc1Cl ZINC000188116502 200195841 /nfs/dbraw/zinc/19/58/41/200195841.db2.gz LHPDUIXGJKVQBG-VHSXEESVSA-N -1 3 323.867 2.539 20 0 DFADHM CCOCCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000471686900 299297175 /nfs/dbraw/zinc/29/71/75/299297175.db2.gz HCRVKAITPRGPPY-UHFFFAOYSA-N -1 3 315.366 2.585 20 0 DFADHM [O-]c1ccc(F)c(CN[C@@H]2CCO[C@]3(CCSC3)C2)c1F ZINC000281075459 216061994 /nfs/dbraw/zinc/06/19/94/216061994.db2.gz UCAAFCJMJNVSOH-MEBBXXQBSA-N -1 3 315.385 2.815 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCc1ccc(Cl)cc1F ZINC000188571298 283477576 /nfs/dbraw/zinc/47/75/76/283477576.db2.gz YYYCKFFCWBDSQC-DAFODLJHSA-N -1 3 306.724 2.909 20 0 DFADHM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccco1 ZINC000188769330 283482333 /nfs/dbraw/zinc/48/23/33/283482333.db2.gz LDIOCGXEARTNDL-JTQLQIEISA-N -1 3 322.411 2.799 20 0 DFADHM Cc1ccc(CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)o1 ZINC000471691933 299297863 /nfs/dbraw/zinc/29/78/63/299297863.db2.gz IXFLJPIIMHEBCQ-UHFFFAOYSA-N -1 3 322.386 2.531 20 0 DFADHM CCc1ccc(C(=O)N2CCN(c3cccs3)CC2)c([O-])c1 ZINC000188327002 200228038 /nfs/dbraw/zinc/22/80/38/200228038.db2.gz VBFQNWJVFVQZAN-UHFFFAOYSA-N -1 3 316.426 2.979 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2Cl)c1 ZINC000055113972 398920063 /nfs/dbraw/zinc/92/00/63/398920063.db2.gz CBPIEXURJJDURY-UHFFFAOYSA-N -1 3 318.760 2.934 20 0 DFADHM CCc1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000188261592 200218898 /nfs/dbraw/zinc/21/88/98/200218898.db2.gz GDXKNHCNTJHTFK-ZDUSSCGKSA-N -1 3 319.401 2.758 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)CCc2ccco2)c1 ZINC000055128859 398920706 /nfs/dbraw/zinc/92/07/06/398920706.db2.gz LMAFTWDCCXAVQJ-LLVKDONJSA-N -1 3 316.357 2.695 20 0 DFADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccnc1 ZINC000471712256 299298802 /nfs/dbraw/zinc/29/88/02/299298802.db2.gz CAXVQCYZPJTVQS-UHFFFAOYSA-N -1 3 320.345 2.754 20 0 DFADHM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1ccco1 ZINC000188681269 200286520 /nfs/dbraw/zinc/28/65/20/200286520.db2.gz ISMLHLVQOGRUSE-UHFFFAOYSA-N -1 3 309.412 2.883 20 0 DFADHM CCSC1(C[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000595350464 398925752 /nfs/dbraw/zinc/92/57/52/398925752.db2.gz AULAPDVREWZKOU-UHFFFAOYSA-N -1 3 307.387 2.529 20 0 DFADHM CC[C@H](C[N-]S(=O)(=O)c1ccco1)Oc1ccccc1F ZINC000188746713 200298838 /nfs/dbraw/zinc/29/88/38/200298838.db2.gz VUIBKQJJENOSAJ-LLVKDONJSA-N -1 3 313.350 2.555 20 0 DFADHM CCOc1ccccc1[C@H](C)NC(=O)NCc1ncccc1[O-] ZINC000471770941 299303746 /nfs/dbraw/zinc/30/37/46/299303746.db2.gz KZCCFDJMWXITEB-LBPRGKRZSA-N -1 3 315.373 2.746 20 0 DFADHM CC[C@H](C)[C@H](O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000189296168 200377904 /nfs/dbraw/zinc/37/79/04/200377904.db2.gz QBCYVRZZJLMMPQ-QPUJVOFHSA-N -1 3 305.296 2.548 20 0 DFADHM CC(C)(CNC(=O)NCc1ncccc1[O-])c1ccccc1F ZINC000471810540 299306995 /nfs/dbraw/zinc/30/69/95/299306995.db2.gz OQDLVICWWOFOEG-UHFFFAOYSA-N -1 3 317.364 2.703 20 0 DFADHM C[C@H](NC(=O)NCc1ncccc1[O-])C(C)(C)c1ccccc1 ZINC000471822653 299308490 /nfs/dbraw/zinc/30/84/90/299308490.db2.gz AXOOUMQFQVYVMI-ZDUSSCGKSA-N -1 3 313.401 2.953 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC[S@@]1=O ZINC000281258931 216191065 /nfs/dbraw/zinc/19/10/65/216191065.db2.gz QLEKASRKSXMREG-IPQOISQHSA-N -1 3 317.410 2.529 20 0 DFADHM O=C(CC1OCCCO1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000281308529 216227874 /nfs/dbraw/zinc/22/78/74/216227874.db2.gz UFQRXWBAPIGULC-UHFFFAOYSA-N -1 3 305.252 2.503 20 0 DFADHM Cc1ccnc(Sc2n[n-]c(-c3cc(F)cc(F)c3)n2)n1 ZINC000078381381 398953431 /nfs/dbraw/zinc/95/34/31/398953431.db2.gz CWAKORQDXHLPBF-UHFFFAOYSA-N -1 3 305.313 3.000 20 0 DFADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccoc1C1CC1 ZINC000281369343 216254095 /nfs/dbraw/zinc/25/40/95/216254095.db2.gz WMYHKUJACIMWBI-UHFFFAOYSA-N -1 3 320.370 2.781 20 0 DFADHM CSCc1cc(C(=O)Nc2nnc(SC)[n-]2)ccc1F ZINC000471982170 299318650 /nfs/dbraw/zinc/31/86/50/299318650.db2.gz APVSHEDESRUXHP-UHFFFAOYSA-N -1 3 312.395 2.781 20 0 DFADHM CSCc1cc(C(=O)Nc2nc(SC)n[n-]2)ccc1F ZINC000471982170 299318655 /nfs/dbraw/zinc/31/86/55/299318655.db2.gz APVSHEDESRUXHP-UHFFFAOYSA-N -1 3 312.395 2.781 20 0 DFADHM CSCc1cc(C(=O)Nc2n[n-]c(SC)n2)ccc1F ZINC000471982170 299318660 /nfs/dbraw/zinc/31/86/60/299318660.db2.gz APVSHEDESRUXHP-UHFFFAOYSA-N -1 3 312.395 2.781 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](OC(F)F)C2)c1 ZINC000613378982 398965910 /nfs/dbraw/zinc/96/59/10/398965910.db2.gz DBGOYQHABHUPKI-SECBINFHSA-N -1 3 317.357 2.958 20 0 DFADHM CO[C@@H](C)[C@@H](C)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000292616214 223172157 /nfs/dbraw/zinc/17/21/57/223172157.db2.gz RNHFFGHXTWRXLM-ZJUUUORDSA-N -1 3 306.337 2.541 20 0 DFADHM CCCn1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cn1 ZINC000417562088 296031188 /nfs/dbraw/zinc/03/11/88/296031188.db2.gz MBIIWSVJBZOZRP-INIZCTEOSA-N -1 3 301.390 2.825 20 0 DFADHM Cc1c(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cnn1C ZINC000417565229 296031276 /nfs/dbraw/zinc/03/12/76/296031276.db2.gz GZLVCWARPCLQMC-CQSZACIVSA-N -1 3 307.781 2.606 20 0 DFADHM CC(C)Cn1cc(CN[C@H](CC(=O)[O-])c2ccccc2)cn1 ZINC000417552951 296030512 /nfs/dbraw/zinc/03/05/12/296030512.db2.gz FRHGFUVLVQILEG-MRXNPFEDSA-N -1 3 301.390 2.845 20 0 DFADHM C[C@H]1CCC[C@@](NCc2nccn2CC(F)(F)F)(C(=O)[O-])C1 ZINC000417560066 296030931 /nfs/dbraw/zinc/03/09/31/296030931.db2.gz BERZZHNCASSAMM-GWCFXTLKSA-N -1 3 319.327 2.569 20 0 DFADHM Cc1cc(C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)ccc1[O-] ZINC000292745623 223227346 /nfs/dbraw/zinc/22/73/46/223227346.db2.gz QQBPOKFUVZCVEW-QGZVFWFLSA-N -1 3 322.408 2.978 20 0 DFADHM C[C@H](C(=O)[O-])[C@H](NCc1cccc2c1OCO2)c1ccccc1 ZINC000417569503 296031872 /nfs/dbraw/zinc/03/18/72/296031872.db2.gz VGFLJSVVPGEKLY-LRDDRELGSA-N -1 3 313.353 2.967 20 0 DFADHM CCCSC[C@H](NCc1cc(F)ccc1OC)C(=O)[O-] ZINC000417581758 296032879 /nfs/dbraw/zinc/03/28/79/296032879.db2.gz ILUAKDBSKYMEBI-LBPRGKRZSA-N -1 3 301.383 2.520 20 0 DFADHM CCCn1cc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cn1 ZINC000417573095 296032295 /nfs/dbraw/zinc/03/22/95/296032295.db2.gz ZSOMALHJZMOUBC-CJNGLKHVSA-N -1 3 301.390 2.845 20 0 DFADHM O=C([O-])[C@]1(NCc2ncc(Cl)s2)CCc2ccccc2C1 ZINC000417583064 296033043 /nfs/dbraw/zinc/03/30/43/296033043.db2.gz VZNBFBGAJJJIDY-HNNXBMFYSA-N -1 3 322.817 2.898 20 0 DFADHM CC(C)(C)OC[C@H](NCc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000417587212 296033193 /nfs/dbraw/zinc/03/31/93/296033193.db2.gz BLQKAJWESJNDNJ-LBPRGKRZSA-N -1 3 303.761 2.837 20 0 DFADHM CC1(C)CC[C@](NCc2cncnc2)(C(=O)[O-])c2ccccc21 ZINC000417587671 296033214 /nfs/dbraw/zinc/03/32/14/296033214.db2.gz OGAJMVTWJAECTP-GOSISDBHSA-N -1 3 311.385 2.618 20 0 DFADHM COc1ccc(C)cc1CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000417584660 296032969 /nfs/dbraw/zinc/03/29/69/296032969.db2.gz NMNPWWFDIPUOMA-DOMZBBRYSA-N -1 3 309.406 2.750 20 0 DFADHM COc1ccc(CN[C@@H](C)[C@H](C)C(=O)[O-])c(Br)c1 ZINC000417600334 296034221 /nfs/dbraw/zinc/03/42/21/296034221.db2.gz FYAZTGVVNJHZDS-IUCAKERBSA-N -1 3 316.195 2.657 20 0 DFADHM COc1ccc(Br)c(CN[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000417619395 296036287 /nfs/dbraw/zinc/03/62/87/296036287.db2.gz ZKGYFGAPKBAVFM-IUCAKERBSA-N -1 3 316.195 2.657 20 0 DFADHM CC(C)(C)OC(=O)c1cccc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000417624231 296036423 /nfs/dbraw/zinc/03/64/23/296036423.db2.gz QJSGJQJBXKHWSQ-HIFRSBDPSA-N -1 3 317.385 2.761 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(Cl)c(F)c(Cl)c1 ZINC000193350439 201036300 /nfs/dbraw/zinc/03/63/00/201036300.db2.gz UUAOVHHVYFUHCK-ZCFIWIBFSA-N -1 3 316.181 2.909 20 0 DFADHM CO[C@H](CNCc1ccc(-c2cccc(F)c2C)o1)C(=O)[O-] ZINC000417623075 296036520 /nfs/dbraw/zinc/03/65/20/296036520.db2.gz JCPIFUIZLNWVHT-OAHLLOKOSA-N -1 3 307.321 2.583 20 0 DFADHM Cc1ccc(CNC[C@H](C)CC(=O)[O-])c(Br)c1 ZINC000417613614 296035751 /nfs/dbraw/zinc/03/57/51/296035751.db2.gz DGFDCIVKZSUIEU-SNVBAGLBSA-N -1 3 300.196 2.958 20 0 DFADHM O=C([O-])COCCNCc1ccc(-c2ccccc2F)s1 ZINC000417615311 296035792 /nfs/dbraw/zinc/03/57/92/296035792.db2.gz CLVJCEHRRHPBTA-UHFFFAOYSA-N -1 3 309.362 2.745 20 0 DFADHM CC(C)=CCSC[C@H](NCc1cccc2c1OCO2)C(=O)[O-] ZINC000417630171 296036843 /nfs/dbraw/zinc/03/68/43/296036843.db2.gz TXNHJJTVROPOAU-ZDUSSCGKSA-N -1 3 323.414 2.658 20 0 DFADHM CCc1ccc(-c2ccc(CNC[C@@H](OC)C(=O)[O-])o2)cc1 ZINC000417634777 296037158 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ZINC000625495268 399571567 /nfs/dbraw/zinc/57/15/67/399571567.db2.gz IBFLWXGCIHGJDS-GFCCVEGCSA-N -1 3 313.394 2.859 20 0 DFADHM CC[C@H](C)CS(=O)(=O)[N-]CC(=O)c1ccc(Cl)cc1F ZINC000625501020 399572706 /nfs/dbraw/zinc/57/27/06/399572706.db2.gz UQRLGUDJOOMBHJ-VIFPVBQESA-N -1 3 321.801 2.627 20 0 DFADHM CCCOc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1F ZINC000629333512 399574152 /nfs/dbraw/zinc/57/41/52/399574152.db2.gz VLYCMFUDVILLHF-GFCCVEGCSA-N -1 3 317.382 2.535 20 0 DFADHM O=C([O-])c1ccc(F)c2c1CN(CCC[C@@H]1CCOC1)CC2 ZINC000629368354 399580385 /nfs/dbraw/zinc/58/03/85/399580385.db2.gz WCHDLWJJCLDPKP-GFCCVEGCSA-N -1 3 307.365 2.699 20 0 DFADHM O=C([O-])CCCN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000157520363 197193139 /nfs/dbraw/zinc/19/31/39/197193139.db2.gz FXUBYLNQYCWSIE-HNNXBMFYSA-N -1 3 319.405 2.527 20 0 DFADHM CCNC(=O)CN(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000617028858 399582448 /nfs/dbraw/zinc/58/24/48/399582448.db2.gz GFDDNVRXTWVSPI-UHFFFAOYSA-N -1 3 320.433 2.847 20 0 DFADHM Cc1cccc(CS(=O)(=O)[N-]CC(=O)C2(C)CCCC2)c1 ZINC000625547751 399584533 /nfs/dbraw/zinc/58/45/33/399584533.db2.gz XEMPBUYAEDKASW-UHFFFAOYSA-N -1 3 309.431 2.564 20 0 DFADHM C/C=C/C[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000625558097 399586206 /nfs/dbraw/zinc/58/62/06/399586206.db2.gz VJYPEHWSPZDQEK-ONEGZZNKSA-N -1 3 310.238 2.673 20 0 DFADHM CCOc1ccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)nc1 ZINC000629377487 399586517 /nfs/dbraw/zinc/58/65/17/399586517.db2.gz MRYUCTDEAWOSKR-OWCLPIDISA-N -1 3 304.390 2.556 20 0 DFADHM O=C(C[C@@H]1CCCN1C(=O)Cc1cncc([O-])c1)c1ccccc1 ZINC000612124609 399588245 /nfs/dbraw/zinc/58/82/45/399588245.db2.gz JMXGHSTYJFXJSX-INIZCTEOSA-N -1 3 324.380 2.594 20 0 DFADHM CC(=O)c1cccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c1 ZINC000629379862 399587655 /nfs/dbraw/zinc/58/76/55/399587655.db2.gz YVMDTZJNSTXTGL-IKGGRYGDSA-N -1 3 301.386 2.964 20 0 DFADHM Cc1cccc(CO[C@H](C)c2nc(-c3cc(=O)[n-]cn3)no2)c1 ZINC000632165396 399590009 /nfs/dbraw/zinc/59/00/09/399590009.db2.gz DSKVXYMMJLSUHY-LLVKDONJSA-N -1 3 312.329 2.818 20 0 DFADHM Cc1cc(C(=O)NC[C@@H]2CCN2Cc2ccccc2)ccc1[O-] ZINC000620770814 399590476 /nfs/dbraw/zinc/59/04/76/399590476.db2.gz BTJVFCKXAWHQHW-KRWDZBQOSA-N -1 3 310.397 2.705 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCO[C@H](CC(F)(F)F)C1 ZINC000620787267 399597877 /nfs/dbraw/zinc/59/78/77/399597877.db2.gz WVNHKDBGVJUMNX-SECBINFHSA-N -1 3 323.698 2.839 20 0 DFADHM COC(=O)CCc1ccc(NC(=O)c2cc(C(F)F)[n-]n2)cc1 ZINC000602846545 399600801 /nfs/dbraw/zinc/60/08/01/399600801.db2.gz RRJWETNUGPUZBF-UHFFFAOYSA-N -1 3 323.299 2.705 20 0 DFADHM Cc1cc(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)ccc1[O-] ZINC000620798584 399600596 /nfs/dbraw/zinc/60/05/96/399600596.db2.gz CRZVCDCTXZPFMU-ZYHUDNBSSA-N -1 3 317.307 2.883 20 0 DFADHM CN(CC(=O)N1CCCc2cccc([O-])c21)C(=O)OC(C)(C)C ZINC000155607261 197070897 /nfs/dbraw/zinc/07/08/97/197070897.db2.gz YQOZBIHGDSQAAT-UHFFFAOYSA-N -1 3 320.389 2.538 20 0 DFADHM CC(C)CCc1nnc([N-]C(=O)c2cn(C(C)C)nn2)s1 ZINC000617093437 399602542 /nfs/dbraw/zinc/60/25/42/399602542.db2.gz ODEMIWFNASGAAH-UHFFFAOYSA-N -1 3 308.411 2.551 20 0 DFADHM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)nc1C ZINC000347902759 285233927 /nfs/dbraw/zinc/23/39/27/285233927.db2.gz CBDDKCDWZTYQFX-MRXNPFEDSA-N -1 3 319.430 2.641 20 0 DFADHM CC(C)CCOC1CCN(C(=O)/C=C\c2cncc([O-])c2)CC1 ZINC000492436568 299588381 /nfs/dbraw/zinc/58/83/81/299588381.db2.gz HAMIYSRHWAOSRD-ARJAWSKDSA-N -1 3 318.417 2.854 20 0 DFADHM NC(=O)c1cccc(CN(Cc2cc([O-])cc(F)c2)C2CC2)c1 ZINC000294687945 224169164 /nfs/dbraw/zinc/16/91/64/224169164.db2.gz CCFRWPJUDGDHLH-UHFFFAOYSA-N -1 3 314.360 2.795 20 0 DFADHM O=C(NCC1(C(F)(F)F)CCCC1)c1ccc2n[n-]nc2c1 ZINC000629462760 399610072 /nfs/dbraw/zinc/61/00/72/399610072.db2.gz ZPWIZLYVFVJTRH-UHFFFAOYSA-N -1 3 312.295 2.810 20 0 DFADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H]3CCCC34CC4)cn21 ZINC000625669400 399609579 /nfs/dbraw/zinc/60/95/79/399609579.db2.gz BUYLVZDZFADOJR-QWHCGFSZSA-N -1 3 323.462 2.639 20 0 DFADHM CCn1cc(S(=O)(=O)[N-]CC[C@@H]2CCC[C@H](C)C2)nc1C ZINC000347948129 285264137 /nfs/dbraw/zinc/26/41/37/285264137.db2.gz RIUNLKMVEQCFMP-JSGCOSHPSA-N -1 3 313.467 2.706 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1 ZINC000120422922 195163049 /nfs/dbraw/zinc/16/30/49/195163049.db2.gz LOSQXLRYZBEUAH-NHYWBVRUSA-N -1 3 313.353 2.695 20 0 DFADHM Cc1ccccc1[C@H]1CN(C(=O)/C=C\c2cncc([O-])c2)CCO1 ZINC000492472613 299595497 /nfs/dbraw/zinc/59/54/97/299595497.db2.gz KPFOCHHNJFECHT-HPFMTEOYSA-N -1 3 324.380 2.709 20 0 DFADHM O=C(NC1CCN(c2cccs2)CC1)c1ccc(O)cc1[O-] ZINC000120542630 195187513 /nfs/dbraw/zinc/18/75/13/195187513.db2.gz FCKNHWOZCSJXMB-UHFFFAOYSA-N -1 3 318.398 2.558 20 0 DFADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)nc(C)n2)c(F)c1 ZINC000347998900 285290820 /nfs/dbraw/zinc/29/08/20/285290820.db2.gz PVCBFONCDHAGES-UHFFFAOYSA-N -1 3 305.284 2.827 20 0 DFADHM CCC1(CC)CCC([N-]S(=O)(=O)c2c[nH]c(=O)s2)CC1 ZINC000632269177 399621804 /nfs/dbraw/zinc/62/18/04/399621804.db2.gz 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ZINC000294906205 224300484 /nfs/dbraw/zinc/30/04/84/224300484.db2.gz BAUXAJSZYGYGOU-HNNXBMFYSA-N -1 3 306.387 2.519 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c([O-])c1 ZINC000080985640 542493885 /nfs/dbraw/zinc/49/38/85/542493885.db2.gz KRSISVFSBPPJIE-WBVHZDCISA-N -1 3 313.353 2.661 20 0 DFADHM CCc1cccc(C(=O)Nc2cnn(Cc3ccccn3)c2)c1[O-] ZINC000081777453 542498802 /nfs/dbraw/zinc/49/88/02/542498802.db2.gz CRPLGEKXOGXZEN-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM CC(C)(O)CON=C([O-])Nc1nc2c(s1)CCCC2(C)C ZINC000289842584 221265156 /nfs/dbraw/zinc/26/51/56/221265156.db2.gz PTEOYCBHXMAHNS-UHFFFAOYSA-N -1 3 313.423 2.581 20 0 DFADHM CC(C)(O)CO[N-]C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000289842584 221265160 /nfs/dbraw/zinc/26/51/60/221265160.db2.gz PTEOYCBHXMAHNS-UHFFFAOYSA-N -1 3 313.423 2.581 20 0 DFADHM COC(=O)CCCO[N-]C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000289856300 221271405 /nfs/dbraw/zinc/27/14/05/221271405.db2.gz VFPZRHGDVMSAKM-UHFFFAOYSA-N -1 3 321.160 3.000 20 0 DFADHM CC1(CC(=O)NCCCNC(=O)c2cccc([O-])c2)CCCC1 ZINC000289855765 221272043 /nfs/dbraw/zinc/27/20/43/221272043.db2.gz VPACCXYOENPYHC-UHFFFAOYSA-N -1 3 318.417 2.599 20 0 DFADHM Cc1ncc2n1CC[C@H](C(=O)Nc1cc(Cl)ccc1[O-])C2 ZINC000289981595 221358100 /nfs/dbraw/zinc/35/81/00/221358100.db2.gz OBEWNRAMIDULDT-JTQLQIEISA-N -1 3 305.765 2.752 20 0 DFADHM CCOCn1nc(C)c(CC(=O)Nc2ccc([O-])cc2F)c1C ZINC000632344369 399641463 /nfs/dbraw/zinc/64/14/63/399641463.db2.gz ZDDPHAYCTKNRBM-UHFFFAOYSA-N -1 3 321.352 2.520 20 0 DFADHM CSc1ccc([O-])c(C(=O)NCC2(CO)CCCCC2)c1 ZINC000612439033 399652720 /nfs/dbraw/zinc/65/27/20/399652720.db2.gz CIDJHGCWBTVVDQ-UHFFFAOYSA-N -1 3 309.431 2.787 20 0 DFADHM CCCN1CC[C@H](N=c2nc(-c3ccccc3C)[n-]s2)C1 ZINC000624407423 399664144 /nfs/dbraw/zinc/66/41/44/399664144.db2.gz BVFDSPPEZIOMKL-ZDUSSCGKSA-N -1 3 302.447 2.832 20 0 DFADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)C[C@@H]2CCC2(F)F)n1 ZINC000632466574 399670884 /nfs/dbraw/zinc/67/08/84/399670884.db2.gz ZZYUETRYLHDOQP-BDAKNGLRSA-N -1 3 324.418 2.731 20 0 DFADHM COc1ccccc1O[C@H](C)CNC(=O)c1c(C)cccc1[O-] ZINC000625873127 399671915 /nfs/dbraw/zinc/67/19/15/399671915.db2.gz GSENWSLHHRRTDZ-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1F)c1ccccn1 ZINC000632472375 399671931 /nfs/dbraw/zinc/67/19/31/399671931.db2.gz OHQFPLACVKEVMO-CYBMUJFWSA-N -1 3 324.377 2.659 20 0 DFADHM Cn1c([N-]C(=O)c2cnc(-c3ccco3)s2)nnc1C1CC1 ZINC000617288072 399650280 /nfs/dbraw/zinc/65/02/80/399650280.db2.gz DCHBJONMFJXLKF-UHFFFAOYSA-N -1 3 315.358 2.661 20 0 DFADHM Cc1oc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1CO ZINC000632507094 399679874 /nfs/dbraw/zinc/67/98/74/399679874.db2.gz QUYXADJEUOUQEH-JTQLQIEISA-N -1 3 301.342 2.940 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@](C)(C(F)F)O1 ZINC000621122941 399688030 /nfs/dbraw/zinc/68/80/30/399688030.db2.gz HDMNIIRTMMMDKV-XLKFXECMSA-N -1 3 319.735 2.930 20 0 DFADHM CCc1ccc(C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)c([O-])c1 ZINC000621123362 399688162 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316.324 2.667 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cncc2ccccc21 ZINC000371565201 150065640 /nfs/dbraw/zinc/06/56/40/150065640.db2.gz KUSKJKJKKDKQON-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(c1cccc([O-])c1)N1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371650581 150076578 /nfs/dbraw/zinc/07/65/78/150076578.db2.gz LLIRHZDQJGTBJD-HNNXBMFYSA-N -1 3 307.353 2.829 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCCc2c[nH]nc21 ZINC000372033349 150127340 /nfs/dbraw/zinc/12/73/40/150127340.db2.gz YMODCUCKMKMAIM-CYBMUJFWSA-N -1 3 305.765 2.505 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000372109805 150137597 /nfs/dbraw/zinc/13/75/97/150137597.db2.gz WCHQSTGTOWDEJA-LBPRGKRZSA-N -1 3 306.362 2.835 20 0 DFADHM CCc1ccc(C(=O)N(C)Cc2cn3c(n2)CCCC3)c([O-])c1 ZINC000372873943 150195451 /nfs/dbraw/zinc/19/54/51/150195451.db2.gz UIINCRNDJKSAPX-UHFFFAOYSA-N -1 3 313.401 2.760 20 0 DFADHM CSCCON=C([O-])Nc1cc(-c2cnccn2)ccc1C ZINC000372981685 150210917 /nfs/dbraw/zinc/21/09/17/150210917.db2.gz KUMTZTJOGBKQDF-UHFFFAOYSA-N -1 3 318.402 2.868 20 0 DFADHM CSCCO[N-]C(=O)Nc1cc(-c2cnccn2)ccc1C ZINC000372981685 150210919 /nfs/dbraw/zinc/21/09/19/150210919.db2.gz KUMTZTJOGBKQDF-UHFFFAOYSA-N -1 3 318.402 2.868 20 0 DFADHM CSc1ccc(C(=O)N2CCC[C@H]2c2noc(C)n2)c([O-])c1 ZINC000373044195 150221148 /nfs/dbraw/zinc/22/11/48/150221148.db2.gz FKAKTOWNMKZBHI-LBPRGKRZSA-N -1 3 319.386 2.783 20 0 DFADHM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc2n[n-]nc2c1 ZINC000373883772 150272436 /nfs/dbraw/zinc/27/24/36/150272436.db2.gz YLTUVSSCTMKTQU-MQMHXKEQSA-N -1 3 310.332 2.773 20 0 DFADHM COc1ccc(C(=O)N2CCOC[C@H]2c2ccccc2)c([O-])c1 ZINC000374128723 150308716 /nfs/dbraw/zinc/30/87/16/150308716.db2.gz GLYMBWPCRATEKJ-INIZCTEOSA-N -1 3 313.353 2.615 20 0 DFADHM O=C(c1ccccc1[O-])N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374978681 150377329 /nfs/dbraw/zinc/37/73/29/150377329.db2.gz MDWZHFADYSWLEI-LJQANCHMSA-N -1 3 311.381 2.559 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000375069825 150396956 /nfs/dbraw/zinc/39/69/56/150396956.db2.gz XMEXHMUSTKNLGX-LBPRGKRZSA-N -1 3 324.789 2.716 20 0 DFADHM CN(C(=O)c1csc(=O)[n-]1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000375076186 150398126 /nfs/dbraw/zinc/39/81/26/150398126.db2.gz ZPKYLPZAXHTVIM-CYBMUJFWSA-N -1 3 317.414 2.590 20 0 DFADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1OC ZINC000426795316 296641001 /nfs/dbraw/zinc/64/10/01/296641001.db2.gz XQTCVUSTXMIHQM-INIZCTEOSA-N -1 3 319.332 2.758 20 0 DFADHM Cc1cc(C)n(C[C@H](NCc2ccc(Cl)c(C)c2)C(=O)[O-])n1 ZINC000426750371 296639703 /nfs/dbraw/zinc/63/97/03/296639703.db2.gz MWEJPWLTLNOOOE-HNNXBMFYSA-N -1 3 321.808 2.705 20 0 DFADHM CC(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000426813078 296641970 /nfs/dbraw/zinc/64/19/70/296641970.db2.gz UXYPICPZZORMKZ-INIZCTEOSA-N -1 3 316.332 2.700 20 0 DFADHM Cc1cccc(CN(C)C(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000426925966 296643957 /nfs/dbraw/zinc/64/39/57/296643957.db2.gz NGTKPHRVYPFSPG-UHFFFAOYSA-N -1 3 307.353 2.504 20 0 DFADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(-c2ccc[nH]2)cc1 ZINC000351759041 286211939 /nfs/dbraw/zinc/21/19/39/286211939.db2.gz YOEQHEUJQNVRRI-OAHLLOKOSA-N -1 3 320.414 2.993 20 0 DFADHM C[C@H]1C[C@@H]1CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000351761506 286212392 /nfs/dbraw/zinc/21/23/92/286212392.db2.gz CRODPIQVMDANEG-GXTWGEPZSA-N -1 3 316.401 2.615 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC2(Cc3ccccc3C2)C1 ZINC000378612073 150834629 /nfs/dbraw/zinc/83/46/29/150834629.db2.gz YUQQWTOXZNBZCR-AATRIKPKSA-N -1 3 320.392 2.818 20 0 DFADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccnc1)c1ccoc1 ZINC000351920871 286244838 /nfs/dbraw/zinc/24/48/38/286244838.db2.gz HURREEJOFKCCPG-INIZCTEOSA-N -1 3 314.366 2.743 20 0 DFADHM COc1cc(C(=O)NCc2cscc2C)cc(OC)c1[O-] ZINC000427605792 296661139 /nfs/dbraw/zinc/66/11/39/296661139.db2.gz DCBBEPOVLGVOGS-UHFFFAOYSA-N -1 3 307.371 2.709 20 0 DFADHM COC(=O)[C@@H](C)Oc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000352040844 286277454 /nfs/dbraw/zinc/27/74/54/286277454.db2.gz SDAFVYURHRSJKG-OJIASSBASA-N -1 3 314.341 2.601 20 0 DFADHM COc1ccc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000175486319 286279343 /nfs/dbraw/zinc/27/93/43/286279343.db2.gz RZCQLLIPICCGSO-ZFWWWQNUSA-N -1 3 307.415 2.901 20 0 DFADHM O=C(C[C@@H](c1cccs1)n1cccc1)Nc1ccncc1[O-] ZINC000352051447 286280354 /nfs/dbraw/zinc/28/03/54/286280354.db2.gz BRGZJCRBDLTHHK-ZDUSSCGKSA-N -1 3 313.382 2.690 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCC[C@@H](O)C1 ZINC000352053352 286280780 /nfs/dbraw/zinc/28/07/80/286280780.db2.gz SHUFZUJXVZCVFU-PSASIEDQSA-N -1 3 314.179 2.644 20 0 DFADHM COc1ccc(C(=O)N2Cc3ccccc3OC[C@H]2C)c([O-])c1 ZINC000272980752 286284665 /nfs/dbraw/zinc/28/46/65/286284665.db2.gz QHKBZPUZOHAWNU-GFCCVEGCSA-N -1 3 313.353 2.824 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc3cccnc32)o1 ZINC000352081896 286287506 /nfs/dbraw/zinc/28/75/06/286287506.db2.gz HULFEDHFOYHUHT-LLVKDONJSA-N -1 3 317.370 2.571 20 0 DFADHM CC1(C)CN(C(=O)c2csc(=O)[n-]2)CC[C@H]1C(F)(F)F ZINC000352084137 286288187 /nfs/dbraw/zinc/28/81/87/286288187.db2.gz JSSXXERKENYZIT-MRVPVSSYSA-N -1 3 308.325 2.899 20 0 DFADHM O=C(NCC1(c2ccccc2)CC1)c1c[n-]nc1-c1ccccn1 ZINC000352142243 286302988 /nfs/dbraw/zinc/30/29/88/286302988.db2.gz WJGQNAVLQNJQTA-UHFFFAOYSA-N -1 3 318.380 2.933 20 0 DFADHM CO[C@]1(C)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000352183373 286313608 /nfs/dbraw/zinc/31/36/08/286313608.db2.gz CPHCREQLYBGJKU-QGZVFWFLSA-N -1 3 309.381 2.882 20 0 DFADHM CC(C)[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1ncc[nH]1 ZINC000451549648 297831938 /nfs/dbraw/zinc/83/19/38/297831938.db2.gz PVAYYIFJORQPAO-VIFPVBQESA-N -1 3 319.839 2.800 20 0 DFADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cnn(CCF)c1 ZINC000352290179 286337329 /nfs/dbraw/zinc/33/73/29/286337329.db2.gz OWROVJFTOXOXDJ-UHFFFAOYSA-N -1 3 317.242 2.829 20 0 DFADHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000352311292 286341967 /nfs/dbraw/zinc/34/19/67/286341967.db2.gz UHZZWYCOUATBIK-OIBJUYFYSA-N -1 3 309.815 2.509 20 0 DFADHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000352311293 286342011 /nfs/dbraw/zinc/34/20/11/286342011.db2.gz UHZZWYCOUATBIK-XCBNKYQSSA-N -1 3 309.815 2.509 20 0 DFADHM CCC[C@]1([N-]S(=O)(=O)c2cc(C)c(F)cc2F)CCOC1 ZINC000352321081 286343401 /nfs/dbraw/zinc/34/34/01/286343401.db2.gz VNWFXAXNVMLYLJ-AWEZNQCLSA-N -1 3 319.373 2.511 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CSC[C@@H]2C)c(Cl)cc1F ZINC000352337223 286346681 /nfs/dbraw/zinc/34/66/81/286346681.db2.gz FKEUWPKEFADCNL-GZMMTYOYSA-N -1 3 323.842 2.817 20 0 DFADHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000352337559 286347022 /nfs/dbraw/zinc/34/70/22/286347022.db2.gz IOTVSILCMYLSAE-OIBJUYFYSA-N -1 3 309.815 2.509 20 0 DFADHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000352338620 286347333 /nfs/dbraw/zinc/34/73/33/286347333.db2.gz UERFCXZASPQQBR-CBAPKCEASA-N -1 3 309.815 2.509 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@H](C)[C@@H](C)c2ccccc2)c(=O)[n-]1 ZINC000352380396 286358738 /nfs/dbraw/zinc/35/87/38/286358738.db2.gz HWPWBKGXCBPXGV-VXGBXAGGSA-N -1 3 313.401 2.650 20 0 DFADHM COC(=O)c1cc(C)nc2nc(SCCC(C)C)[n-]c(=O)c12 ZINC000352401182 286364470 /nfs/dbraw/zinc/36/44/70/286364470.db2.gz WXMLQFZCVGGTHK-UHFFFAOYSA-N -1 3 321.402 2.964 20 0 DFADHM O=S(=O)([N-]C(C1CCC1)C1CCC1)c1cncc(Cl)c1 ZINC000352498220 286389147 /nfs/dbraw/zinc/38/91/47/286389147.db2.gz FLOJVRGQXSDAEO-UHFFFAOYSA-N -1 3 314.838 2.982 20 0 DFADHM CC(C)COc1ccc(CC(=O)NCc2ncccc2[O-])cc1 ZINC000352498225 286389260 /nfs/dbraw/zinc/38/92/60/286389260.db2.gz AAPGSSWOCFFNPP-UHFFFAOYSA-N -1 3 314.385 2.681 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NCc2ncccc2[O-])o1 ZINC000352500061 286389705 /nfs/dbraw/zinc/38/97/05/286389705.db2.gz JFKHLDLJLQFQQO-VOAKCMCISA-N -1 3 312.369 2.924 20 0 DFADHM O=C(CCOc1ccccc1Cl)NCc1ncccc1[O-] ZINC000352502723 286390386 /nfs/dbraw/zinc/39/03/86/286390386.db2.gz XXVYFTKASYZWIE-UHFFFAOYSA-N -1 3 306.749 2.526 20 0 DFADHM CC(C)COc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000352510533 286393180 /nfs/dbraw/zinc/39/31/80/286393180.db2.gz SUTZNNMNWWDVMB-UHFFFAOYSA-N -1 3 300.358 2.752 20 0 DFADHM O=C(NCc1ncccc1[O-])c1ccc(Oc2ccccc2)nc1 ZINC000352514957 286394493 /nfs/dbraw/zinc/39/44/93/286394493.db2.gz DENUASDNVATSEU-UHFFFAOYSA-N -1 3 321.336 2.905 20 0 DFADHM Cc1ccc(SCCC(=O)NCc2ncccc2[O-])cc1 ZINC000352517121 286395095 /nfs/dbraw/zinc/39/50/95/286395095.db2.gz NZZNXOSHZURCBX-UHFFFAOYSA-N -1 3 302.399 2.894 20 0 DFADHM O=C(NCc1ncccc1[O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000352517980 286395339 /nfs/dbraw/zinc/39/53/39/286395339.db2.gz TZESCKSXSQUZAN-UHFFFAOYSA-N -1 3 314.238 2.875 20 0 DFADHM O=C(NCc1ncccc1[O-])c1cc(-c2ccc(F)cc2)on1 ZINC000352517682 286395379 /nfs/dbraw/zinc/39/53/79/286395379.db2.gz RCVQKKYWMKHUJR-UHFFFAOYSA-N -1 3 313.288 2.511 20 0 DFADHM CC(C)Cc1ncc(NC(=O)c2c[n-]c3ccccc3c2=O)cn1 ZINC000352505900 286391623 /nfs/dbraw/zinc/39/16/23/286391623.db2.gz CIHBBTOKDAEVTQ-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM CC(C)Cc1ncc(NC(=O)c2cnc3ccccc3c2[O-])cn1 ZINC000352505900 286391626 /nfs/dbraw/zinc/39/16/26/286391626.db2.gz CIHBBTOKDAEVTQ-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@H]1C[C@@H]1c1ccccc1Cl ZINC000352506108 286391880 /nfs/dbraw/zinc/39/18/80/286391880.db2.gz DJXAEPIBLNUXRQ-NEPJUHHUSA-N -1 3 302.761 2.861 20 0 DFADHM O=C(NCc1ncccc1[O-])c1cnc(-c2ccsc2)s1 ZINC000352506388 286391990 /nfs/dbraw/zinc/39/19/90/286391990.db2.gz GHILFYJZKVBARA-UHFFFAOYSA-N -1 3 317.395 2.902 20 0 DFADHM CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)OC ZINC000352592522 286415268 /nfs/dbraw/zinc/41/52/68/286415268.db2.gz FYPOICZUOMPVLJ-SNVBAGLBSA-N -1 3 312.218 2.697 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H]1C[C@H]1C1CC1 ZINC000352638779 286427502 /nfs/dbraw/zinc/42/75/02/286427502.db2.gz XGTQPGVUXQUTAQ-NWDGAFQWSA-N -1 3 310.191 2.612 20 0 DFADHM Cc1cc(C(F)(F)F)ccc1/C=C/C(=O)[N-]OC(C)(C)CO ZINC000493395404 299772227 /nfs/dbraw/zinc/77/22/27/299772227.db2.gz DHBGMZUSANZQRW-FNORWQNLSA-N -1 3 317.307 2.846 20 0 DFADHM CCC(=O)C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000493444510 299781635 /nfs/dbraw/zinc/78/16/35/299781635.db2.gz VYHSAFVAQYSAJL-UHFFFAOYSA-N -1 3 315.778 2.652 20 0 DFADHM Cc1ccccc1[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccco1)N(C)C ZINC000353097549 286550686 /nfs/dbraw/zinc/55/06/86/286550686.db2.gz NTEDWWDLYVWGAG-CJNGLKHVSA-N -1 3 322.430 2.558 20 0 DFADHM CCN(C(=O)/C=C/c1cncc([O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000493464836 299786159 /nfs/dbraw/zinc/78/61/59/299786159.db2.gz WTIYOCUMZYGLJG-VBROQKIQSA-N -1 3 304.390 2.607 20 0 DFADHM CC(C)OCCO[N-]C(=O)/C=C/c1ccc(F)c(Cl)c1 ZINC000493489367 299788837 /nfs/dbraw/zinc/78/88/37/299788837.db2.gz IEBVUGMQIODVQJ-GQCTYLIASA-N -1 3 301.745 2.965 20 0 DFADHM COC(=O)C1(NCc2ccc([O-])c3nc(C)ccc23)CCCC1 ZINC000429678920 296754361 /nfs/dbraw/zinc/75/43/61/296754361.db2.gz BGXOXEKOGHOGKW-UHFFFAOYSA-N -1 3 314.385 2.824 20 0 DFADHM C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)[C@H](c2ccccc2)CO1 ZINC000182065669 158000796 /nfs/dbraw/zinc/00/07/96/158000796.db2.gz UTAXRCGASHXJNW-QBJLPMDFSA-N -1 3 324.380 2.789 20 0 DFADHM O=C(C[C@@H]1C(=O)Nc2ccccc21)N1CCCc2cccc([O-])c21 ZINC000182920407 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DFADHM O=C(CC1CCOCC1)Nc1cc(Br)ccc1[O-] ZINC000126552769 426025929 /nfs/dbraw/zinc/02/59/29/426025929.db2.gz DJAXGBASFOACDO-UHFFFAOYSA-N -1 3 314.179 2.910 20 0 DFADHM CCN(CC)[C@@H](CNC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000109040532 426027095 /nfs/dbraw/zinc/02/70/95/426027095.db2.gz OECIFAQPLXREHA-KRWDZBQOSA-N -1 3 313.401 2.600 20 0 DFADHM Cc1ccc2cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)[nH]c2c1 ZINC000074176347 426042178 /nfs/dbraw/zinc/04/21/78/426042178.db2.gz FITDDNRVSYSQRZ-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM Cc1ccc2cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)[nH]c2c1 ZINC000074176347 426042182 /nfs/dbraw/zinc/04/21/82/426042182.db2.gz FITDDNRVSYSQRZ-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM COCCCN(C)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000162651612 426072117 /nfs/dbraw/zinc/07/21/17/426072117.db2.gz YSNSNCVPBVJKJY-UHFFFAOYSA-N -1 3 302.374 2.666 20 0 DFADHM C[C@H](CN(C)Cc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000161958692 426047374 /nfs/dbraw/zinc/04/73/74/426047374.db2.gz AIBPNWQNLYZRRK-MRVPVSSYSA-N -1 3 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ZINC000118268801 426231118 /nfs/dbraw/zinc/23/11/18/426231118.db2.gz NJUFLXYXUZWHRO-WBMJQRKESA-N -1 3 321.417 2.972 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCO[C@H]2CCCC[C@H]21 ZINC000136189325 426236978 /nfs/dbraw/zinc/23/69/78/426236978.db2.gz ROMYLAATQAERIL-CABCVRRESA-N -1 3 309.793 2.758 20 0 DFADHM CCC(CC)(CC)CNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000150868892 426265496 /nfs/dbraw/zinc/26/54/96/426265496.db2.gz SVFJMCUPVIGNJO-UHFFFAOYSA-N -1 3 307.438 2.652 20 0 DFADHM O=C(CCc1ccc2c(c1)OCCO2)Nc1cc(F)ccc1[O-] ZINC000174870504 426266810 /nfs/dbraw/zinc/26/68/10/426266810.db2.gz NCLSITLZDUOPCS-UHFFFAOYSA-N -1 3 317.316 2.874 20 0 DFADHM CC(C)Cn1cnc(S(=O)(=O)[N-]c2c(F)cccc2F)c1 ZINC000174915534 426267597 /nfs/dbraw/zinc/26/75/97/426267597.db2.gz IWIKBPGZPKGQSW-UHFFFAOYSA-N -1 3 315.345 2.618 20 0 DFADHM CN(C)[C@H](CNC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000080000446 426208362 /nfs/dbraw/zinc/20/83/62/426208362.db2.gz KTYAUNFXPQBSMC-OAHLLOKOSA-N -1 3 302.349 2.564 20 0 DFADHM CO[C@@H](CNC(=O)c1cccc(C)c1[O-])c1ccc(F)cc1 ZINC000080034232 426209872 /nfs/dbraw/zinc/20/98/72/426209872.db2.gz KIUZUIKKQBJSDV-HNNXBMFYSA-N -1 3 303.333 2.957 20 0 DFADHM CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000117396389 426214924 /nfs/dbraw/zinc/21/49/24/426214924.db2.gz STPKYPDYEARXDI-NSHDSACASA-N -1 3 315.373 2.614 20 0 DFADHM CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000080953665 426216687 /nfs/dbraw/zinc/21/66/87/426216687.db2.gz KMKQOAHDTAELLO-UHFFFAOYSA-N -1 3 303.383 2.985 20 0 DFADHM COc1cc(C(=O)NC[C@@H]2CCCC[C@H]2C)cc(OC)c1[O-] ZINC000119477697 426290724 /nfs/dbraw/zinc/29/07/24/426290724.db2.gz RNXWOYWKNYAQFG-NEPJUHHUSA-N -1 3 307.390 2.966 20 0 DFADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000175275619 426293072 /nfs/dbraw/zinc/29/30/72/426293072.db2.gz VBVISSGFEXATGM-QWHCGFSZSA-N -1 3 321.414 2.917 20 0 DFADHM Cc1cccc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1[O-] ZINC000151497627 426298448 /nfs/dbraw/zinc/29/84/48/426298448.db2.gz 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Cc1ccc([O-])c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000121012578 426318797 /nfs/dbraw/zinc/31/87/97/426318797.db2.gz VMBSEDONZKHLGH-KRWDZBQOSA-N -1 3 310.397 2.830 20 0 DFADHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(C)(C)C ZINC000175807790 426329442 /nfs/dbraw/zinc/32/94/42/426329442.db2.gz DHEHBEVYTDPELE-CYBMUJFWSA-N -1 3 321.389 2.613 20 0 DFADHM COc1ccc(CO[N-]C(=O)CCCc2ccccc2)cn1 ZINC000152246765 426334239 /nfs/dbraw/zinc/33/42/39/426334239.db2.gz UDAYXAYHBSZHKN-UHFFFAOYSA-N -1 3 300.358 2.661 20 0 DFADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000175863424 426334575 /nfs/dbraw/zinc/33/45/75/426334575.db2.gz VWOATGHSSMIHJU-LLVKDONJSA-N -1 3 307.390 2.757 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1nc(C)cs1 ZINC000119284951 426276221 /nfs/dbraw/zinc/27/62/21/426276221.db2.gz NGOATYVZXJSJCJ-QMMMGPOBSA-N -1 3 318.445 2.561 20 0 DFADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119378384 426284271 /nfs/dbraw/zinc/28/42/71/426284271.db2.gz 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/nfs/dbraw/zinc/34/62/26/426346226.db2.gz BQBFNHKOUJSNOJ-UHFFFAOYSA-N -1 3 301.317 2.738 20 0 DFADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1ccccc1-n1cccn1 ZINC000092124805 426348172 /nfs/dbraw/zinc/34/81/72/426348172.db2.gz VLYUGFBBDOOALP-LBPRGKRZSA-N -1 3 323.352 2.775 20 0 DFADHM CC(C)(CNC(=O)c1c([O-])cccc1O)c1ccc(F)cc1 ZINC000092121067 426348432 /nfs/dbraw/zinc/34/84/32/426348432.db2.gz JFHDHROBIFJZIK-UHFFFAOYSA-N -1 3 303.333 2.945 20 0 DFADHM COc1ccc(C(=O)N[C@@H](C)CC(=O)c2ccccc2)c([O-])c1 ZINC000092599992 426351733 /nfs/dbraw/zinc/35/17/33/426351733.db2.gz OJGWLKZMABEVNO-LBPRGKRZSA-N -1 3 313.353 2.792 20 0 DFADHM Cc1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1[O-] ZINC000121828334 426353466 /nfs/dbraw/zinc/35/34/66/426353466.db2.gz OTEVFTLBSAPFEJ-KGLIPLIRSA-N -1 3 321.442 2.827 20 0 DFADHM C[C@@H](NC(=O)c1ccccc1[O-])c1nc(Cc2ccccc2)no1 ZINC000176115726 426353601 /nfs/dbraw/zinc/35/36/01/426353601.db2.gz QHKQYFHKNIUNFE-GFCCVEGCSA-N -1 3 323.352 2.857 20 0 DFADHM 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2.525 20 0 DFADHM O=S(=O)([N-]CC1CC1)c1cccc(Br)c1Cl ZINC000340861638 269023583 /nfs/dbraw/zinc/02/35/83/269023583.db2.gz MADIAZLVBQUNEN-UHFFFAOYSA-N -1 3 324.627 2.791 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCC[C@@H]3F)c[n-]c12 ZINC000340860613 269023650 /nfs/dbraw/zinc/02/36/50/269023650.db2.gz BYFPLCCRHYPWEZ-STQMWFEESA-N -1 3 306.312 2.596 20 0 DFADHM Cc1ccccc1CN(C)C(=O)c1c[n-]c2ccncc2c1=O ZINC000340998900 269035982 /nfs/dbraw/zinc/03/59/82/269035982.db2.gz CWQKLKWYZKSIKY-UHFFFAOYSA-N -1 3 307.353 2.504 20 0 DFADHM CCc1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)ccc1[O-] ZINC000341071003 269038655 /nfs/dbraw/zinc/03/86/55/269038655.db2.gz IXCDFJHYIWKPMQ-UHFFFAOYSA-N -1 3 313.353 2.956 20 0 DFADHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000341165079 269051090 /nfs/dbraw/zinc/05/10/90/269051090.db2.gz BJMDFFQWVVHJRU-SKDRFNHKSA-N -1 3 321.801 2.573 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1CC=CC[C@@H]1C ZINC000341425415 269075446 /nfs/dbraw/zinc/07/54/46/269075446.db2.gz UHNFIKDCSLMEBO-QWRGUYRKSA-N -1 3 306.362 2.955 20 0 DFADHM COc1cccc(C(=O)N[C@@H](C)Cc2ccccc2F)c1[O-] ZINC000097130612 426452113 /nfs/dbraw/zinc/45/21/13/426452113.db2.gz OIQGAQRGOZCZJD-NSHDSACASA-N -1 3 303.333 2.901 20 0 DFADHM Cc1ccc(CNC(=O)c2ccc3n[n-]nc3c2)c(OC(C)C)c1 ZINC000123813549 426455377 /nfs/dbraw/zinc/45/53/77/426455377.db2.gz NMJIAQFICFCAHH-UHFFFAOYSA-N -1 3 324.384 2.984 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)NCCc3ccccn3)c[n-]c12 ZINC000155077167 426463147 /nfs/dbraw/zinc/46/31/47/426463147.db2.gz IESAGWRARNIEAA-UHFFFAOYSA-N -1 3 307.353 2.616 20 0 DFADHM Cc1ccc([O-])c(CNc2ccccc2N2CCC(O)CC2)n1 ZINC000124101903 426470302 /nfs/dbraw/zinc/47/03/02/426470302.db2.gz YEIJSPLONHPELU-UHFFFAOYSA-N -1 3 313.401 2.669 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)Nc3nnc4ccccn43)c[n-]c12 ZINC000155434778 426470659 /nfs/dbraw/zinc/47/06/59/426470659.db2.gz NPBOIJOBLSAEMO-UHFFFAOYSA-N -1 3 319.324 2.544 20 0 DFADHM CN1CCC(N(Cc2ccco2)C(=O)c2ccccc2[O-])CC1 ZINC000124154000 426472773 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427042954 /nfs/dbraw/zinc/04/29/54/427042954.db2.gz JFWGOTHCPMAVAO-LLVKDONJSA-N -1 3 319.386 2.900 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cc(-c2ccccc2)ns1 ZINC000276355570 427042962 /nfs/dbraw/zinc/04/29/62/427042962.db2.gz JFWGOTHCPMAVAO-LLVKDONJSA-N -1 3 319.386 2.900 20 0 DFADHM CCc1n[n-]c(NC(=O)c2cc3c(C(C)C)nn(C)c3s2)n1 ZINC000182292735 427046987 /nfs/dbraw/zinc/04/69/87/427046987.db2.gz MKDUUCMCHLCPTM-UHFFFAOYSA-N -1 3 318.406 2.691 20 0 DFADHM O=S(=O)([N-][C@@H]1CC12CCCCC2)c1cncc(Cl)c1 ZINC000329119385 427049840 /nfs/dbraw/zinc/04/98/40/427049840.db2.gz PCRPGAGZZNQBDO-GFCCVEGCSA-N -1 3 300.811 2.736 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)[n-]c(=O)n1 ZINC000268559634 427052317 /nfs/dbraw/zinc/05/23/17/427052317.db2.gz AYRYFDVXFDBCBR-SECBINFHSA-N -1 3 323.299 2.583 20 0 DFADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000268561892 427054584 /nfs/dbraw/zinc/05/45/84/427054584.db2.gz FTOIHFQOIJJFMG-OAHLLOKOSA-N -1 3 313.401 2.974 20 0 DFADHM 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/nfs/dbraw/zinc/32/43/54/428324354.db2.gz DRHUFTAMMNXICC-OAHLLOKOSA-N -1 3 315.373 2.503 20 0 DFADHM CC1(C)[C@H](NC(=O)Cc2ccc([O-])cc2Cl)[C@H]2CCCO[C@@H]21 ZINC000378173806 428325755 /nfs/dbraw/zinc/32/57/55/428325755.db2.gz UOJSUASQMAQLBX-WQVCFCJDSA-N -1 3 323.820 2.908 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)NC3CC(C(F)(F)F)C3)c[n-]c12 ZINC000360513259 428328856 /nfs/dbraw/zinc/32/88/56/428328856.db2.gz XFGOSVVBZPQKKO-UHFFFAOYSA-N -1 3 324.302 2.907 20 0 DFADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2ccco2)s1 ZINC000346818936 428329728 /nfs/dbraw/zinc/32/97/28/428329728.db2.gz DAUCTIZJVXDNNG-UHFFFAOYSA-N -1 3 303.318 3.498 20 0 DFADHM CCc1nc(C(C)(C)NC(=O)c2cc([O-])ccc2Cl)no1 ZINC000352972227 428332249 /nfs/dbraw/zinc/33/22/49/428332249.db2.gz HXOLBVYVBUUCRK-UHFFFAOYSA-N -1 3 309.753 2.656 20 0 DFADHM CCCCCNC(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O ZINC000346827712 428334250 /nfs/dbraw/zinc/33/42/50/428334250.db2.gz LVWBQHQRZVWJFP-UHFFFAOYSA-N -1 3 306.337 2.596 20 0 DFADHM 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/nfs/dbraw/zinc/37/55/76/428375576.db2.gz QHUOJUHLBIHZSV-UHFFFAOYSA-N -1 3 311.765 2.603 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2C[C@@H]3CCCCC[C@@H]32)c(=O)[n-]1 ZINC000371180248 428375754 /nfs/dbraw/zinc/37/57/54/428375754.db2.gz IBZPDGFCJWMNGX-ZFWWWQNUSA-N -1 3 303.406 2.523 20 0 DFADHM Cc1c(NC(=O)NCc2ncccc2[O-])cnn1-c1ccccc1 ZINC000346931205 428375880 /nfs/dbraw/zinc/37/58/80/428375880.db2.gz XHKUIAIEWINLCI-UHFFFAOYSA-N -1 3 323.356 2.603 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H]2CCCOC2)sc1Cl ZINC000353079736 428378547 /nfs/dbraw/zinc/37/85/47/428378547.db2.gz NTPUBOYJYZBHJE-ZJUUUORDSA-N -1 3 323.867 2.803 20 0 DFADHM Cc1ccccc1[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccco1)N(C)C ZINC000353097551 428383925 /nfs/dbraw/zinc/38/39/25/428383925.db2.gz NTEDWWDLYVWGAG-XJKSGUPXSA-N -1 3 322.430 2.558 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCCO2)sc1Cl ZINC000353105009 428386635 /nfs/dbraw/zinc/38/66/35/428386635.db2.gz GMBXOYTWKHPLJC-ZJUUUORDSA-N -1 3 323.867 2.946 20 0 DFADHM 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428486566 /nfs/dbraw/zinc/48/65/66/428486566.db2.gz IQGJAFQULRQYLP-ZWNOBZJWSA-N -1 3 311.341 2.634 20 0 DFADHM COC(=O)[C@H](C)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000342949368 428493945 /nfs/dbraw/zinc/49/39/45/428493945.db2.gz FFUAKHMVFZXXTA-SSDOTTSWSA-N -1 3 305.252 2.549 20 0 DFADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000357361409 428499718 /nfs/dbraw/zinc/49/97/18/428499718.db2.gz JYVAAJDZYNUDOL-UHFFFAOYSA-N -1 3 319.279 2.722 20 0 DFADHM FC(F)(F)c1nnc(CNc2cccc(C(F)(F)F)n2)[n-]1 ZINC000343010264 428504967 /nfs/dbraw/zinc/50/49/67/428504967.db2.gz KJZKZSHAVIXNAH-UHFFFAOYSA-N -1 3 311.189 2.849 20 0 DFADHM FC(F)(F)c1nc(CNc2cccc(C(F)(F)F)n2)n[n-]1 ZINC000343010264 428504971 /nfs/dbraw/zinc/50/49/71/428504971.db2.gz KJZKZSHAVIXNAH-UHFFFAOYSA-N -1 3 311.189 2.849 20 0 DFADHM FC(F)(F)c1n[n-]c(CNc2cccc(C(F)(F)F)n2)n1 ZINC000343010264 428504975 /nfs/dbraw/zinc/50/49/75/428504975.db2.gz KJZKZSHAVIXNAH-UHFFFAOYSA-N -1 3 311.189 2.849 20 0 DFADHM C[C@]1(CNCc2cccc([O-])c2Br)CCOC1 ZINC000397360420 428509908 /nfs/dbraw/zinc/50/99/08/428509908.db2.gz ITEZUAMKCOKAGH-CYBMUJFWSA-N -1 3 300.196 2.671 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1c[n-]nc1-c1ccccn1 ZINC000353380616 428511292 /nfs/dbraw/zinc/51/12/92/428511292.db2.gz ZXBIYTKUMGWBFN-CZUORRHYSA-N -1 3 304.353 2.758 20 0 DFADHM [O-]c1cccc(CNCCC2(O)CCC2)c1Br ZINC000397697504 428513342 /nfs/dbraw/zinc/51/33/42/428513342.db2.gz GKKOPNMPURYEJW-UHFFFAOYSA-N -1 3 300.196 2.549 20 0 DFADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000360887409 428477871 /nfs/dbraw/zinc/47/78/71/428477871.db2.gz VMIWFHZYONDQPO-NXEZZACHSA-N -1 3 319.448 2.638 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)[C@@H](C)c1ccccc1 ZINC000353537079 428582679 /nfs/dbraw/zinc/58/26/79/428582679.db2.gz RLVKVWAZDPXHOK-VXGBXAGGSA-N -1 3 308.378 2.691 20 0 DFADHM O=c1[n-]nc([C@H]2CCCN(C[C@H]3CCC4(CCCCC4)O3)C2)o1 ZINC000408009161 428590927 /nfs/dbraw/zinc/59/09/27/428590927.db2.gz KNZHGBJJUIQVTD-UONOGXRCSA-N -1 3 321.421 2.837 20 0 DFADHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2ccc3ccccc3c2)no1 ZINC000347497033 428591211 /nfs/dbraw/zinc/59/12/11/428591211.db2.gz GPLSMSTVAUJDEP-SNVBAGLBSA-N -1 3 317.370 2.500 20 0 DFADHM Cc1nc(C)c(CC(=O)NCc2ccc(C(F)F)cc2)c(=O)[n-]1 ZINC000361328596 428557282 /nfs/dbraw/zinc/55/72/82/428557282.db2.gz NYNORAPZKIZASZ-UHFFFAOYSA-N -1 3 321.327 2.596 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)NCC1(C(F)(F)F)CC1 ZINC000347420326 428571139 /nfs/dbraw/zinc/57/11/39/428571139.db2.gz MBMNSHUEGXJIBR-UHFFFAOYSA-N -1 3 306.259 2.673 20 0 DFADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(OC(F)F)cc1)CC2 ZINC000405454672 428576598 /nfs/dbraw/zinc/57/65/98/428576598.db2.gz XSEKATPURPTPAI-ZDUSSCGKSA-N -1 3 311.328 2.975 20 0 DFADHM CC(=O)NCC[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000353524670 428577452 /nfs/dbraw/zinc/57/74/52/428577452.db2.gz FAPZEGACZFVLEJ-ZDUSSCGKSA-N -1 3 310.825 2.784 20 0 DFADHM Cn1nc2c(c1CNCc1c(F)ccc([O-])c1F)CCCC2 ZINC000353566089 428596773 /nfs/dbraw/zinc/59/67/73/428596773.db2.gz RAWZQEDDPULGLA-UHFFFAOYSA-N -1 3 307.344 2.573 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1c[n-]nc1-c1ccccn1 ZINC000353565666 428597330 /nfs/dbraw/zinc/59/73/30/428597330.db2.gz BLNVAOFDRWRJFN-XJKSGUPXSA-N -1 3 322.343 2.897 20 0 DFADHM Cc1cc2[nH]c(C[N-]c3nc(-c4nccn4C)no3)cc2c(C)c1 ZINC000358450805 428600621 /nfs/dbraw/zinc/60/06/21/428600621.db2.gz SUGIKIQWNOOTIF-UHFFFAOYSA-N -1 3 322.372 3.180 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)o1 ZINC000408099242 428603221 /nfs/dbraw/zinc/60/32/21/428603221.db2.gz VMMLDWAJDLLRBR-CYBMUJFWSA-N -1 3 313.419 2.748 20 0 DFADHM CN(C)c1ccc(Cl)cc1NC(=O)NCc1ncccc1[O-] ZINC000344021115 428609995 /nfs/dbraw/zinc/60/99/95/428609995.db2.gz SPSIXMKHPFAQGE-UHFFFAOYSA-N -1 3 320.780 2.828 20 0 DFADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000362095037 428617527 /nfs/dbraw/zinc/61/75/27/428617527.db2.gz OWZMALMPDFRTJF-LURJTMIESA-N -1 3 303.252 2.584 20 0 DFADHM O=C(NCc1ncccc1[O-])Nc1ccccc1OCC1CC1 ZINC000344041123 428618589 /nfs/dbraw/zinc/61/85/89/428618589.db2.gz 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COC1CCC(NC(=O)c2c[n-]c3c(C)cccc3c2=O)CC1 ZINC000412413566 429036246 /nfs/dbraw/zinc/03/62/46/429036246.db2.gz DYYWHALETXTLOD-UHFFFAOYSA-N -1 3 314.385 2.524 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C)s1 ZINC000433819510 429053222 /nfs/dbraw/zinc/05/32/22/429053222.db2.gz BBKHXRWCVZFTSI-LLVKDONJSA-N -1 3 324.471 2.978 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1nc2c(s1)CSCC2 ZINC000376105669 429058509 /nfs/dbraw/zinc/05/85/09/429058509.db2.gz ATRFTGVMPNCRFL-OWOJBTEDSA-N -1 3 319.411 2.685 20 0 DFADHM Cc1nc(C)c(CCC(=O)NC2CC(C(C)(C)C)C2)c(=O)[n-]1 ZINC000452145309 429070255 /nfs/dbraw/zinc/07/02/55/429070255.db2.gz DEQFRORMLZCFNW-UHFFFAOYSA-N -1 3 305.422 2.673 20 0 DFADHM O=C(c1ccccc1[O-])N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000412651572 429076625 /nfs/dbraw/zinc/07/66/25/429076625.db2.gz FCHXCLRALSSRKW-IBGZPJMESA-N -1 3 323.348 2.642 20 0 DFADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnn2ncccc12 ZINC000434362603 429082545 /nfs/dbraw/zinc/08/25/45/429082545.db2.gz 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CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ncoc3C)c2)n1 ZINC000364365942 429191408 /nfs/dbraw/zinc/19/14/08/429191408.db2.gz ZECHBNDVMQCNOO-UHFFFAOYSA-N -1 3 324.340 2.960 20 0 DFADHM COC(=O)Nc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000495265711 429194829 /nfs/dbraw/zinc/19/48/29/429194829.db2.gz PKMLNUZYRWCJNS-UHFFFAOYSA-N -1 3 301.302 2.526 20 0 DFADHM Cn1c2ccc(F)cc2nc1NCc1c(F)ccc([O-])c1F ZINC000438934627 429215747 /nfs/dbraw/zinc/21/57/47/429215747.db2.gz WIORCKQJTUMZQL-UHFFFAOYSA-N -1 3 307.275 3.308 20 0 DFADHM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)[N-]OC2CCCC2)C1 ZINC000495523040 429218312 /nfs/dbraw/zinc/21/83/12/429218312.db2.gz BGHXXDPNFDBLGL-CXAGYDPISA-N -1 3 324.421 2.624 20 0 DFADHM Cc1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])nn1C ZINC000436612248 429200896 /nfs/dbraw/zinc/20/08/96/429200896.db2.gz WXSNFUIQHWZSFG-UHFFFAOYSA-N -1 3 321.380 3.277 20 0 DFADHM Cc1cnc(OC(C)C)c(NC(=O)NCc2ncccc2[O-])c1 ZINC000455706660 429201500 /nfs/dbraw/zinc/20/15/00/429201500.db2.gz DZVYGBQYAWWIHC-UHFFFAOYSA-N -1 3 316.361 2.600 20 0 DFADHM Cc1conc1[N-]C(=O)c1cc(F)c(F)cc1Br ZINC000441429709 429232109 /nfs/dbraw/zinc/23/21/09/429232109.db2.gz OPIPZZANYDNRGU-UHFFFAOYSA-N -1 3 317.089 3.276 20 0 DFADHM CCc1ccc([O-])c(-c2nc(CN(C(=O)OC)C3CC3)no2)c1 ZINC000495357856 429202669 /nfs/dbraw/zinc/20/26/69/429202669.db2.gz NRCDEUAPLYMYME-UHFFFAOYSA-N -1 3 317.345 2.735 20 0 DFADHM CCn1ccnc1[C@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000456346546 429283509 /nfs/dbraw/zinc/28/35/09/429283509.db2.gz HKUYCZTZZOFPMO-LBPRGKRZSA-N -1 3 313.401 2.978 20 0 DFADHM Cc1n[nH]cc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442820090 429237284 /nfs/dbraw/zinc/23/72/84/429237284.db2.gz JVWZEMNAFURWQL-UHFFFAOYSA-N -1 3 301.224 2.575 20 0 DFADHM CCO[C@H]1C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442926957 429241466 /nfs/dbraw/zinc/24/14/66/429241466.db2.gz XYIJPSFKODWYJY-KCJUWKMLSA-N -1 3 305.252 2.654 20 0 DFADHM COc1cc(C(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)ccc1[O-] ZINC000456130186 429246159 /nfs/dbraw/zinc/24/61/59/429246159.db2.gz CNANUNKQYMNMRX-DOMZBBRYSA-N -1 3 307.390 2.582 20 0 DFADHM CCc1cc(C(=O)N[C@H](C(=O)OC(C)C)C(C)C)ccc1[O-] ZINC000456148120 429249467 /nfs/dbraw/zinc/24/94/67/429249467.db2.gz MERXBXPPXHFGCA-HNNXBMFYSA-N -1 3 307.390 2.661 20 0 DFADHM Cc1nc2c(s1)[C@H](NC(=O)/C=C/c1cncc([O-])c1)CCC2 ZINC000364706093 429253648 /nfs/dbraw/zinc/25/36/48/429253648.db2.gz NJQUVLJTOCBNOQ-VBROQKIQSA-N -1 3 315.398 2.759 20 0 DFADHM Cc1nc(C)c(CNC(=O)c2ccc3c(c2[O-])CCCC3)o1 ZINC000425302060 429260073 /nfs/dbraw/zinc/26/00/73/429260073.db2.gz HZJXHWUPAKAUEX-UHFFFAOYSA-N -1 3 300.358 2.806 20 0 DFADHM CN(CC(=O)Nc1c([O-])cccc1Cl)C(=O)OC(C)(C)C ZINC000495760103 429261361 /nfs/dbraw/zinc/26/13/61/429261361.db2.gz GGIFDXZYPOBRPI-UHFFFAOYSA-N -1 3 314.769 2.851 20 0 DFADHM CCc1cccc(C(=O)Nc2cccc(OC(=O)NC)c2)c1[O-] ZINC000495833961 429274037 /nfs/dbraw/zinc/27/40/37/429274037.db2.gz RAJGJXMJCWGYBM-UHFFFAOYSA-N -1 3 314.341 2.925 20 0 DFADHM CC(C)(C)OC(=O)NCC(=O)Nc1c([O-])cccc1Cl ZINC000495824464 429274699 /nfs/dbraw/zinc/27/46/99/429274699.db2.gz IKUHNSGWGFAXGZ-UHFFFAOYSA-N -1 3 300.742 2.509 20 0 DFADHM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)[N-]OCCC(C)(C)C ZINC000495835471 429276517 /nfs/dbraw/zinc/27/65/17/429276517.db2.gz KWIXJYUJTXSHAD-NSHDSACASA-N -1 3 302.415 2.631 20 0 DFADHM CO[C@H]([C@@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F)C1CC1 ZINC000456558767 429323516 /nfs/dbraw/zinc/32/35/16/429323516.db2.gz KMJIXYWGYAKWJM-AMIZOPFISA-N -1 3 317.307 2.954 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456556973 429324656 /nfs/dbraw/zinc/32/46/56/429324656.db2.gz HUQODHDJBVFSCA-HNNXBMFYSA-N -1 3 308.341 2.918 20 0 DFADHM CCc1ccc(C(=O)N(C)[C@H]2C[C@H](OC)C23CCC3)c([O-])c1 ZINC000456597304 429328383 /nfs/dbraw/zinc/32/83/83/429328383.db2.gz WQNQAILVUFXXMB-HOTGVXAUSA-N -1 3 303.402 2.984 20 0 DFADHM C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2[O-])CCCC3)c2nccn21 ZINC000456397783 429297810 /nfs/dbraw/zinc/29/78/10/429297810.db2.gz CDBWYUGXEVQYDG-ABAIWWIYSA-N -1 3 311.385 2.903 20 0 DFADHM C[C@H]1C[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)c2nccn21 ZINC000456395747 429297842 /nfs/dbraw/zinc/29/78/42/429297842.db2.gz ARMQEFDRXDQWCM-TVQRCGJNSA-N -1 3 305.765 2.607 20 0 DFADHM CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1csc(=O)[n-]1 ZINC000365314263 429299252 /nfs/dbraw/zinc/29/92/52/429299252.db2.gz LWHBXXZNQKTCEG-JTQLQIEISA-N -1 3 320.418 2.608 20 0 DFADHM CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1csc(=O)[n-]1 ZINC000365314264 429299452 /nfs/dbraw/zinc/29/94/52/429299452.db2.gz LWHBXXZNQKTCEG-SNVBAGLBSA-N -1 3 320.418 2.608 20 0 DFADHM COC(=O)Nc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000490690906 429301048 /nfs/dbraw/zinc/30/10/48/429301048.db2.gz NGKTZNUJSYPOQC-UHFFFAOYSA-N -1 3 316.313 2.831 20 0 DFADHM CCn1ccnc1C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000365873963 429392892 /nfs/dbraw/zinc/39/28/92/429392892.db2.gz FFWHYEKNCGMSDO-UHFFFAOYSA-N -1 3 323.356 2.626 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2CCc3ccc(F)cc32)c([O-])c1 ZINC000518050884 429409089 /nfs/dbraw/zinc/40/90/89/429409089.db2.gz MTNATUIQUIVMSX-OAHLLOKOSA-N -1 3 301.317 2.957 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2ccc([C@@H]3C[C@@H]3C)o2)[n-]1 ZINC000491366730 429352593 /nfs/dbraw/zinc/35/25/93/429352593.db2.gz MOOSEEXPBWXPFH-RFYUSOLYSA-N -1 3 304.375 2.895 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000491366730 429352597 /nfs/dbraw/zinc/35/25/97/429352597.db2.gz MOOSEEXPBWXPFH-RFYUSOLYSA-N -1 3 304.375 2.895 20 0 DFADHM CSc1nc(NC(=O)C=Cc2ccc([C@@H]3C[C@@H]3C)o2)n[n-]1 ZINC000491366730 429352601 /nfs/dbraw/zinc/35/26/01/429352601.db2.gz MOOSEEXPBWXPFH-RFYUSOLYSA-N -1 3 304.375 2.895 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])NC[C@@H]1C[C@H]1C1CC1 ZINC000456865004 429357862 /nfs/dbraw/zinc/35/78/62/429357862.db2.gz FRHNQVUQNAVETM-AAEUAGOBSA-N -1 3 324.218 2.860 20 0 DFADHM C/C=C/C=C/C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000366065505 429410256 /nfs/dbraw/zinc/41/02/56/429410256.db2.gz VSVDCJILMMLWFL-COBAKMAKSA-N -1 3 302.765 2.628 20 0 DFADHM Cc1cc(/C=C/C(=O)[N-]OCCO)c(C)n1C1CCCCC1 ZINC000492027093 429454158 /nfs/dbraw/zinc/45/41/58/429454158.db2.gz ASQPYDWBYQZXLT-CMDGGOBGSA-N -1 3 306.406 2.663 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2c[n-]c3ccncc3c2=O)o1 ZINC000519341349 429455080 /nfs/dbraw/zinc/45/50/80/429455080.db2.gz QEQSASSVXQLTGD-PWSUYJOCSA-N -1 3 323.352 2.570 20 0 DFADHM C[C@](O)(CN1CCCC[C@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000519412987 429458479 /nfs/dbraw/zinc/45/84/79/429458479.db2.gz WSFHDKVZVKXWKQ-RDJZCZTQSA-N -1 3 302.374 2.531 20 0 DFADHM Cc1cccc(C(=O)N2CC(C)(C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000366471126 429458778 /nfs/dbraw/zinc/45/87/78/429458778.db2.gz VOTUIGOEEOKGRZ-GOSISDBHSA-N -1 3 319.401 2.501 20 0 DFADHM O=c1cc(C=Cc2cnc(N3CCCC3)nc2)nc(C2CC2)[n-]1 ZINC000519527829 429460980 /nfs/dbraw/zinc/46/09/80/429460980.db2.gz UDJDWOYHOXEOJK-ZZXKWVIFSA-N -1 3 309.373 2.620 20 0 DFADHM C[C@H](Cc1c[nH]cn1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000519558331 429465059 /nfs/dbraw/zinc/46/50/59/429465059.db2.gz UKJSQVYRUNBWSU-MRVPVSSYSA-N -1 3 313.279 2.951 20 0 DFADHM C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000519558331 429465064 /nfs/dbraw/zinc/46/50/64/429465064.db2.gz UKJSQVYRUNBWSU-MRVPVSSYSA-N -1 3 313.279 2.951 20 0 DFADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(O)c1 ZINC000427701857 429466544 /nfs/dbraw/zinc/46/65/44/429466544.db2.gz OCJDJHFZUPRWOY-NSHDSACASA-N -1 3 308.337 2.725 20 0 DFADHM Cc1cc(C)n(C[C@H](NCc2ccc3ccccc3c2)C(=O)[O-])n1 ZINC000426736952 429412435 /nfs/dbraw/zinc/41/24/35/429412435.db2.gz ZNZWVCYQZABQOG-SFHVURJKSA-N -1 3 323.396 2.896 20 0 DFADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000426750330 429413039 /nfs/dbraw/zinc/41/30/39/429413039.db2.gz MPVOWWCTZWAHOC-CQSZACIVSA-N -1 3 306.749 2.659 20 0 DFADHM Cc1ccc(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])nc1 ZINC000426764543 429414047 /nfs/dbraw/zinc/41/40/47/429414047.db2.gz XFTIVFDMRPFXJN-HNNXBMFYSA-N -1 3 322.767 2.968 20 0 DFADHM O=C([O-])[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccc(O)cc1 ZINC000426802548 429416680 /nfs/dbraw/zinc/41/66/80/429416680.db2.gz ZHNUOSRPJQAEBG-MRXNPFEDSA-N -1 3 323.352 2.698 20 0 DFADHM Cc1cc(C(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)ccc1[O-] ZINC000457225098 429429898 /nfs/dbraw/zinc/42/98/98/429429898.db2.gz DULPDDXJYLEHHP-SFHVURJKSA-N -1 3 319.401 2.895 20 0 DFADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000427136289 429432297 /nfs/dbraw/zinc/43/22/97/429432297.db2.gz NCNWTQFIPUNXNK-UHFFFAOYSA-N -1 3 317.276 2.642 20 0 DFADHM CCN(C(=O)CNC(=O)c1cccc([O-])c1)[C@H]1CCCC[C@@H]1C ZINC000427129103 429433086 /nfs/dbraw/zinc/43/30/86/429433086.db2.gz TYFJCBFUXLXCGI-BBRMVZONSA-N -1 3 318.417 2.549 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC[C@](C)(O)CC2)c([O-])c1 ZINC000366220323 429436705 /nfs/dbraw/zinc/43/67/05/429436705.db2.gz BZVQFDIMQCTTFJ-SFHVURJKSA-N -1 3 321.417 2.948 20 0 DFADHM CO[C@@H]1C[C@@H](CC(=O)[O-])N(Cc2ccccc2OC(C)C)C1 ZINC000519708113 429481186 /nfs/dbraw/zinc/48/11/86/429481186.db2.gz OCVOALZEZZMFGG-LSDHHAIUSA-N -1 3 307.390 2.538 20 0 DFADHM C[C@H]1[C@H](C(=O)Nc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000492191212 429485668 /nfs/dbraw/zinc/48/56/68/429485668.db2.gz YWQJKROXUKRZBR-NWDGAFQWSA-N -1 3 320.389 2.976 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)o1 ZINC000366719492 429499315 /nfs/dbraw/zinc/49/93/15/429499315.db2.gz MWLFREFBULESNF-ZJUUUORDSA-N -1 3 309.329 2.835 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)o1 ZINC000366719492 429499317 /nfs/dbraw/zinc/49/93/17/429499317.db2.gz MWLFREFBULESNF-ZJUUUORDSA-N -1 3 309.329 2.835 20 0 DFADHM COC(=O)c1sc([N-]C(=O)c2ncc(F)cc2F)cc1C ZINC000428286477 429508683 /nfs/dbraw/zinc/50/86/83/429508683.db2.gz MBNSSWOQHKOCAJ-UHFFFAOYSA-N -1 3 312.297 2.769 20 0 DFADHM CC(C)Cc1ncc(C[N-]c2nnc(C(F)(F)F)o2)s1 ZINC000428319664 429508845 /nfs/dbraw/zinc/50/88/45/429508845.db2.gz PYGREQQPONETQA-UHFFFAOYSA-N -1 3 306.313 3.356 20 0 DFADHM O=C1[N-]C(=O)c2cc(NCc3cccc(OC(F)F)c3)ccc21 ZINC000428326443 429511762 /nfs/dbraw/zinc/51/17/62/429511762.db2.gz OBAGSEWYBMBCOB-UHFFFAOYSA-N -1 3 318.279 2.784 20 0 DFADHM O=C1[N-]C(=O)c2cc(NCc3coc(-c4ccccc4)n3)ccc21 ZINC000428341535 429511932 /nfs/dbraw/zinc/51/19/32/429511932.db2.gz XGGIGNDKSOBLMA-UHFFFAOYSA-N -1 3 319.320 2.837 20 0 DFADHM FC(F)(F)c1nnc([N-]Cc2c[nH]nc2-c2ccsc2)o1 ZINC000428349811 429513969 /nfs/dbraw/zinc/51/39/69/429513969.db2.gz SCDJTQHVSFVMLD-UHFFFAOYSA-N -1 3 315.280 3.152 20 0 DFADHM CCC(C)(C)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000428379501 429515092 /nfs/dbraw/zinc/51/50/92/429515092.db2.gz ZIMHFIPOSRKKPS-UHFFFAOYSA-N -1 3 310.341 2.815 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1 ZINC000492355813 429518427 /nfs/dbraw/zinc/51/84/27/429518427.db2.gz BSEVCUUMIHXTSH-GETOMWPZSA-N -1 3 324.380 2.857 20 0 DFADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCOC[C@H](C2CCC2)C1 ZINC000520594007 429520642 /nfs/dbraw/zinc/52/06/42/429520642.db2.gz BWRWINVGHHEQSY-ZBFHGGJFSA-N -1 3 307.365 2.700 20 0 DFADHM C[C@@H](CNC(=O)/C=C\c1cncc([O-])c1)c1ccc(F)cc1F ZINC000492479157 429547786 /nfs/dbraw/zinc/54/77/86/429547786.db2.gz YZESPCKEMFOWAA-SROOVFNMSA-N -1 3 318.323 2.999 20 0 DFADHM C[C@H](COCc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449972891 429547750 /nfs/dbraw/zinc/54/77/50/429547750.db2.gz GSUNCIQPPNLYNX-CYBMUJFWSA-N -1 3 317.360 2.795 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC(F)(F)C(F)(F)C1 ZINC000457939682 429552333 /nfs/dbraw/zinc/55/23/33/429552333.db2.gz VDCSSDMTSBGFJR-UHFFFAOYSA-N -1 3 323.261 2.967 20 0 DFADHM O=C(/C=C\c1ccc(-c2ccccc2F)o1)[N-]O[C@@H]1CCOC1 ZINC000492507196 429554424 /nfs/dbraw/zinc/55/44/24/429554424.db2.gz RNLDMOWYGQPZQK-FWPCIQOSSA-N -1 3 317.316 2.936 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000492517225 429555423 /nfs/dbraw/zinc/55/54/23/429555423.db2.gz DVJGIYNPUVUCON-HLRDLLSLSA-N -1 3 323.396 2.586 20 0 DFADHM CCOc1nc2cc(C(=O)NCc3ccc(C)c(C)n3)ccc2[n-]1 ZINC000457979874 429558740 /nfs/dbraw/zinc/55/87/40/429558740.db2.gz AFAJGYWZFPWVRO-UHFFFAOYSA-N -1 3 324.384 2.903 20 0 DFADHM CCOc1nc2ccc(C(=O)NCc3ccc(C)c(C)n3)cc2[n-]1 ZINC000457979874 429558744 /nfs/dbraw/zinc/55/87/44/429558744.db2.gz AFAJGYWZFPWVRO-UHFFFAOYSA-N -1 3 324.384 2.903 20 0 DFADHM Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)c([O-])c1C ZINC000457972036 429558883 /nfs/dbraw/zinc/55/88/83/429558883.db2.gz NNTKZSMNPCPHSX-CABCVRRESA-N -1 3 301.386 2.650 20 0 DFADHM Cc1ncc(CNC(=O)C=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)[n-]1 ZINC000492531784 429559180 /nfs/dbraw/zinc/55/91/80/429559180.db2.gz HOFPASSHVTUMJZ-SSOYPGSPSA-N -1 3 313.357 2.537 20 0 DFADHM CCCCCS(=O)(=O)[N-]c1ccc(C)cc1-c1nc[nH]n1 ZINC000367018272 429559817 /nfs/dbraw/zinc/55/98/17/429559817.db2.gz WOEOHWJAYWZENQ-UHFFFAOYSA-N -1 3 308.407 2.712 20 0 DFADHM Cc1nn(-c2ccccc2)cc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492538525 429562266 /nfs/dbraw/zinc/56/22/66/429562266.db2.gz SKMDDHGNCWXMAI-FPLPWBNLSA-N -1 3 320.352 2.933 20 0 DFADHM CN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@H]1CC1(C)C ZINC000521659974 429562473 /nfs/dbraw/zinc/56/24/73/429562473.db2.gz BVCYRUBJFRWYHN-LBPRGKRZSA-N -1 3 306.312 2.677 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000450073323 429565275 /nfs/dbraw/zinc/56/52/75/429565275.db2.gz CMLHHSQPZWONSA-UKRRQHHQSA-N -1 3 309.406 2.960 20 0 DFADHM CO[C@@H]1CCC[C@H](C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)C1 ZINC000450140379 429571605 /nfs/dbraw/zinc/57/16/05/429571605.db2.gz OULPKVSVXFGQJR-WDEREUQCSA-N -1 3 304.350 2.517 20 0 DFADHM CO[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)C1 ZINC000450140379 429571610 /nfs/dbraw/zinc/57/16/10/429571610.db2.gz OULPKVSVXFGQJR-WDEREUQCSA-N -1 3 304.350 2.517 20 0 DFADHM CO[C@@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)C1 ZINC000450140379 429571614 /nfs/dbraw/zinc/57/16/14/429571614.db2.gz OULPKVSVXFGQJR-WDEREUQCSA-N -1 3 304.350 2.517 20 0 DFADHM CC(C)O[C@@H]1C[C@H](NC(=O)/C=C/c2cncc([O-])c2)C1(C)C ZINC000492619631 429580299 /nfs/dbraw/zinc/58/02/99/429580299.db2.gz QQFURGFCXRSHLH-ICWYTKJFSA-N -1 3 304.390 2.509 20 0 DFADHM CC(C)[C@@H]1C[C@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000458107147 429580942 /nfs/dbraw/zinc/58/09/42/429580942.db2.gz BZDJSYXSFRCFTF-NWDGAFQWSA-N -1 3 312.207 2.858 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](CC)[C@@H]3CCCO3)ccc2[n-]1 ZINC000450242900 429585325 /nfs/dbraw/zinc/58/53/25/429585325.db2.gz KKCKAPBYWKMPGR-WFASDCNBSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](CC)[C@@H]3CCCO3)cc2[n-]1 ZINC000450242900 429585330 /nfs/dbraw/zinc/58/53/30/429585330.db2.gz KKCKAPBYWKMPGR-WFASDCNBSA-N -1 3 317.389 2.649 20 0 DFADHM COc1cc(CCNC(=O)Cc2ccc([O-])c(F)c2)ccc1C ZINC000449923630 429538623 /nfs/dbraw/zinc/53/86/23/429538623.db2.gz FZLJPDJZLYBUKL-UHFFFAOYSA-N -1 3 317.360 2.750 20 0 DFADHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)/C=C/c1cncc([O-])c1 ZINC000492445115 429539760 /nfs/dbraw/zinc/53/97/60/429539760.db2.gz RYANYCZNXFGNCR-NBUZRDOWSA-N -1 3 310.353 2.667 20 0 DFADHM CC(C)O[C@H]1C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000457875585 429544093 /nfs/dbraw/zinc/54/40/93/429544093.db2.gz RYGHOIKYMVNXIN-OKILXGFUSA-N -1 3 309.381 2.926 20 0 DFADHM COc1cc(C)c(NC(=O)/C=C/c2cncc([O-])c2)cc1OC ZINC000492467933 429545624 /nfs/dbraw/zinc/54/56/24/429545624.db2.gz AIVXTCDLXUTIFO-SNAWJCMRSA-N -1 3 314.341 2.765 20 0 DFADHM C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)Cc2ccccc2O1 ZINC000492795188 429616021 /nfs/dbraw/zinc/61/60/21/429616021.db2.gz FVEIZKADHBYSFA-KTRBRXNASA-N -1 3 310.353 2.610 20 0 DFADHM Cc1cccc(C(=O)N2CC(O)(c3ccc(Cl)cc3)C2)c1[O-] ZINC000367347792 429625123 /nfs/dbraw/zinc/62/51/23/429625123.db2.gz BCWJEGXVVUTQEM-UHFFFAOYSA-N -1 3 317.772 2.698 20 0 DFADHM O=S(=O)([N-]Cc1nccs1)c1ccc(Cl)cc1Cl ZINC000429829368 429635713 /nfs/dbraw/zinc/63/57/13/429635713.db2.gz PSGZCOMYPPXHOB-UHFFFAOYSA-N -1 3 323.226 2.928 20 0 DFADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429906250 429639498 /nfs/dbraw/zinc/63/94/98/429639498.db2.gz VWJZZNXFTXFAGU-UHFFFAOYSA-N -1 3 324.229 2.887 20 0 DFADHM CN(Cc1n[n-]c(=O)s1)[C@H](c1ccccc1)c1ccccn1 ZINC000367459513 429651753 /nfs/dbraw/zinc/65/17/53/429651753.db2.gz UISSAVZBGUSGOC-OAHLLOKOSA-N -1 3 312.398 2.860 20 0 DFADHM CC(C)(C)[C@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)CCO1 ZINC000450308975 429596086 /nfs/dbraw/zinc/59/60/86/429596086.db2.gz PSONOMKIPSRAAI-IUODEOHRSA-N -1 3 309.381 2.784 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1COc1ccc(F)cc1 ZINC000367213464 429597194 /nfs/dbraw/zinc/59/71/94/429597194.db2.gz NVADAJUQQMVCOS-LLVKDONJSA-N -1 3 322.361 2.671 20 0 DFADHM CCOCCO[N-]C(=O)/C=C\c1csc(Br)c1 ZINC000492736255 429604516 /nfs/dbraw/zinc/60/45/16/429604516.db2.gz MAZPKYKEGTYBPT-ARJAWSKDSA-N -1 3 320.208 2.608 20 0 DFADHM Cc1cccc([O-])c1NC(=O)/C=C/CN(C)CC(F)(F)F ZINC000492778990 429613164 /nfs/dbraw/zinc/61/31/64/429613164.db2.gz UEDVYPNXWVMWDE-QPJJXVBHSA-N -1 3 302.296 2.689 20 0 DFADHM COc1cccc(C2(F)CCN(Cc3n[n-]c(=O)s3)CC2)c1 ZINC000367464992 429655760 /nfs/dbraw/zinc/65/57/60/429655760.db2.gz XBLWDTNKEZPFBS-UHFFFAOYSA-N -1 3 323.393 2.713 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000492976939 429658626 /nfs/dbraw/zinc/65/86/26/429658626.db2.gz ZLOWULHPLOVIJU-MJRGOJFPSA-N -1 3 312.344 2.898 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCc1ccc(C)cc1 ZINC000525352378 429658775 /nfs/dbraw/zinc/65/87/75/429658775.db2.gz LMGRKPMNMCKDGW-UHFFFAOYSA-N -1 3 315.373 2.775 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCc1ccc(C)cc1 ZINC000525352378 429658778 /nfs/dbraw/zinc/65/87/78/429658778.db2.gz LMGRKPMNMCKDGW-UHFFFAOYSA-N -1 3 315.373 2.775 20 0 DFADHM CC(C)(CO)O[N-]C(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000492991046 429661614 /nfs/dbraw/zinc/66/16/14/429661614.db2.gz QNPYTLCRDPOWSE-KHPPLWFESA-N -1 3 319.401 2.840 20 0 DFADHM Cc1[n-][nH]c(=O)c1CCNC(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C ZINC000492992920 429663364 /nfs/dbraw/zinc/66/33/64/429663364.db2.gz IPEWUJWBWBTWTA-UAJWAQHXSA-N -1 3 319.449 2.633 20 0 DFADHM Cc1[n-][nH]c(=O)c1CCNC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C ZINC000492992919 429663483 /nfs/dbraw/zinc/66/34/83/429663483.db2.gz IPEWUJWBWBTWTA-LWLUERGQSA-N -1 3 319.449 2.633 20 0 DFADHM CC(=O)Nc1ccccc1CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000525258678 429653674 /nfs/dbraw/zinc/65/36/74/429653674.db2.gz QGGLGKACGFKGKQ-UHFFFAOYSA-N -1 3 312.369 2.897 20 0 DFADHM Cc1cc(F)cc([C@]2(F)CCN(Cc3n[n-]c(=O)s3)C2)c1 ZINC000367464385 429654962 /nfs/dbraw/zinc/65/49/62/429654962.db2.gz SGGTVSWZKIQBJP-AWEZNQCLSA-N -1 3 311.357 2.762 20 0 DFADHM CCC[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)C1CCC1 ZINC000458645736 429670198 /nfs/dbraw/zinc/67/01/98/429670198.db2.gz DMTHPIOEYJJDLL-SECBINFHSA-N -1 3 319.331 2.592 20 0 DFADHM CCC[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)C1CCC1 ZINC000458645736 429670200 /nfs/dbraw/zinc/67/02/00/429670200.db2.gz DMTHPIOEYJJDLL-SECBINFHSA-N -1 3 319.331 2.592 20 0 DFADHM CCC[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)C1CCC1 ZINC000458645736 429670205 /nfs/dbraw/zinc/67/02/05/429670205.db2.gz DMTHPIOEYJJDLL-SECBINFHSA-N -1 3 319.331 2.592 20 0 DFADHM Cc1cc(/C=C\C(=O)[N-]OC(C)(C)CO)ccc1C(F)(F)F ZINC000493053197 429678778 /nfs/dbraw/zinc/67/87/78/429678778.db2.gz QQPLAPLZLUJCSR-ALCCZGGFSA-N -1 3 317.307 2.846 20 0 DFADHM CCc1oc2ccccc2c1/C=C/C(=O)[N-]OC(C)(C)CO ZINC000493068147 429681130 /nfs/dbraw/zinc/68/11/30/429681130.db2.gz XUSAJBHXZFMUPJ-MDZDMXLPSA-N -1 3 303.358 2.827 20 0 DFADHM COc1cc(C(=O)N[C@H]2CCc3ccc(F)cc32)ccc1[O-] ZINC000525950444 429689930 /nfs/dbraw/zinc/68/99/30/429689930.db2.gz YOIZQWSPOJQELJ-AWEZNQCLSA-N -1 3 301.317 2.957 20 0 DFADHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc2c(c1)OCCO2 ZINC000525918487 429686365 /nfs/dbraw/zinc/68/63/65/429686365.db2.gz DRCRCGTYUVEHEE-SNVBAGLBSA-N -1 3 320.370 2.501 20 0 DFADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1csc(=O)[n-]1 ZINC000525935176 429687205 /nfs/dbraw/zinc/68/72/05/429687205.db2.gz JQHZFHRULGTUDS-HTQZYQBOSA-N -1 3 308.325 2.947 20 0 DFADHM CCC[C@H](CC(C)C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000450747560 429691734 /nfs/dbraw/zinc/69/17/34/429691734.db2.gz OYYGCWBOLROCFU-SECBINFHSA-N -1 3 306.332 2.902 20 0 DFADHM CCC[C@H](CC(C)C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000450747560 429691737 /nfs/dbraw/zinc/69/17/37/429691737.db2.gz OYYGCWBOLROCFU-SECBINFHSA-N -1 3 306.332 2.902 20 0 DFADHM CCC[C@H](CC(C)C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000450747560 429691741 /nfs/dbraw/zinc/69/17/41/429691741.db2.gz OYYGCWBOLROCFU-SECBINFHSA-N -1 3 306.332 2.902 20 0 DFADHM CCc1cc2c(CN3CCOCC[C@H]3C)cc(=O)oc2cc1[O-] ZINC000367666882 429695474 /nfs/dbraw/zinc/69/54/74/429695474.db2.gz WGEJRJCHSBBEOG-GFCCVEGCSA-N -1 3 317.385 2.672 20 0 DFADHM O=C([N-]CCCN1CC[C@@H]1c1ccccc1F)C(F)(F)F ZINC000367677822 429697543 /nfs/dbraw/zinc/69/75/43/429697543.db2.gz HVSLFJTWGALCOY-GFCCVEGCSA-N -1 3 304.287 2.641 20 0 DFADHM O=C(NCc1ncccc1[O-])C1CC(c2cccc(F)c2)C1 ZINC000526941338 429708748 /nfs/dbraw/zinc/70/87/48/429708748.db2.gz IMAUTBFAHGORLT-UHFFFAOYSA-N -1 3 300.333 2.736 20 0 DFADHM CSc1ccccc1NC(=O)[C@@H](C)N(C)CCCC(=O)[O-] ZINC000430672822 429708852 /nfs/dbraw/zinc/70/88/52/429708852.db2.gz WZXRXRAHWNWRCP-LLVKDONJSA-N -1 3 310.419 2.532 20 0 DFADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)CCCC(=O)[O-] ZINC000430677458 429709698 /nfs/dbraw/zinc/70/96/98/429709698.db2.gz JVGIJJBPMJZVLR-NSHDSACASA-N -1 3 312.797 2.772 20 0 DFADHM CSc1ccc(F)cc1CNC(=O)c1cccc2nn[n-]c21 ZINC000527107051 429723428 /nfs/dbraw/zinc/72/34/28/429723428.db2.gz CQGBJFHFHGAGQP-UHFFFAOYSA-N -1 3 316.361 2.749 20 0 DFADHM CSc1ccc(F)cc1CNC(=O)c1cccc2[n-]nnc21 ZINC000527107051 429723434 /nfs/dbraw/zinc/72/34/34/429723434.db2.gz CQGBJFHFHGAGQP-UHFFFAOYSA-N -1 3 316.361 2.749 20 0 DFADHM CSc1ccc(F)cc1CNC(=O)c1cccc2n[n-]nc21 ZINC000527107051 429723439 /nfs/dbraw/zinc/72/34/39/429723439.db2.gz CQGBJFHFHGAGQP-UHFFFAOYSA-N -1 3 316.361 2.749 20 0 DFADHM COc1ccc(Cl)cc1/C=C/C(=O)[N-]OCCOC(C)C ZINC000493270937 429724814 /nfs/dbraw/zinc/72/48/14/429724814.db2.gz LWAMBCGBHRZKTK-QPJJXVBHSA-N -1 3 313.781 2.835 20 0 DFADHM O=c1[n-]nc(C2CCN(CCSc3ccc(F)cc3)CC2)o1 ZINC000450913061 429728263 /nfs/dbraw/zinc/72/82/63/429728263.db2.gz ISVUQASWMZGATN-UHFFFAOYSA-N -1 3 323.393 2.886 20 0 DFADHM O=C(CCOc1cccc(Cl)c1)NCc1ncccc1[O-] ZINC000527190269 429729442 /nfs/dbraw/zinc/72/94/42/429729442.db2.gz YOLBFPRTHOORQL-UHFFFAOYSA-N -1 3 306.749 2.526 20 0 DFADHM COc1cc(C(=O)NCc2ncc(-c3ccccc3)o2)ccc1[O-] ZINC000527191591 429730030 /nfs/dbraw/zinc/73/00/30/429730030.db2.gz GSIQECMRPHJKJJ-UHFFFAOYSA-N -1 3 324.336 2.986 20 0 DFADHM O=C(c1cc2sccc2s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000527257916 429737160 /nfs/dbraw/zinc/73/71/60/429737160.db2.gz YYXDEEICJPEMGF-UHFFFAOYSA-N -1 3 317.395 2.657 20 0 DFADHM CCO[C@H]1C[C@H](NCc2nc(CC)cc(=O)[n-]2)C12CCCC2 ZINC000450966844 429740192 /nfs/dbraw/zinc/74/01/92/429740192.db2.gz IPTRUYPSUIHCIK-KBPBESRZSA-N -1 3 305.422 2.572 20 0 DFADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cccc3nn[n-]c32)c1 ZINC000527361994 429745286 /nfs/dbraw/zinc/74/52/86/429745286.db2.gz MAGODUHZSKLTCT-HOCLYGCPSA-N -1 3 322.368 2.643 20 0 DFADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cccc3[n-]nnc32)c1 ZINC000527361994 429745288 /nfs/dbraw/zinc/74/52/88/429745288.db2.gz MAGODUHZSKLTCT-HOCLYGCPSA-N -1 3 322.368 2.643 20 0 DFADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cccc3n[n-]nc32)c1 ZINC000527361994 429745293 /nfs/dbraw/zinc/74/52/93/429745293.db2.gz MAGODUHZSKLTCT-HOCLYGCPSA-N -1 3 322.368 2.643 20 0 DFADHM Cc1nonc1[N-]C(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000367947201 429750124 /nfs/dbraw/zinc/75/01/24/429750124.db2.gz GXPMKBPOXXPTRW-UHFFFAOYSA-N -1 3 315.720 2.741 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@H]2CC(C)(C)c3ccccc32)c1 ZINC000431299532 429752106 /nfs/dbraw/zinc/75/21/06/429752106.db2.gz WUBXLNCPBHTOPX-AWEZNQCLSA-N -1 3 319.430 2.604 20 0 DFADHM Cc1cc(F)ccc1CN(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000493393629 429752369 /nfs/dbraw/zinc/75/23/69/429752369.db2.gz BRXUWQGSYLGJLL-UTCJRWHESA-N -1 3 300.333 2.907 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)[C@@H]1CCCO1 ZINC000451044685 429755106 /nfs/dbraw/zinc/75/51/06/429755106.db2.gz ZJEJIOKVMWFMPK-RISCZKNCSA-N -1 3 323.389 2.825 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@H]2C)c1 ZINC000451056382 429758793 /nfs/dbraw/zinc/75/87/93/429758793.db2.gz QSDBGFUBAVTDRF-CHWSQXEVSA-N -1 3 317.476 2.930 20 0 DFADHM Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)[N-]OCC1CC1 ZINC000493419219 429759067 /nfs/dbraw/zinc/75/90/67/429759067.db2.gz MACQHIOWVOECII-KHPPLWFESA-N -1 3 311.385 2.960 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2)C(C)(F)F ZINC000451068440 429761084 /nfs/dbraw/zinc/76/10/84/429761084.db2.gz IFTURAYTGALVMR-VIFPVBQESA-N -1 3 319.373 2.722 20 0 DFADHM Cc1cnc2c(cccc2S(=O)(=O)[N-][C@@H](C)C(C)(F)F)c1 ZINC000451074697 429762050 /nfs/dbraw/zinc/76/20/50/429762050.db2.gz XZEZNQCKDRFXLQ-JTQLQIEISA-N -1 3 314.357 2.865 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cnc2ccc(F)cc2c1)C(C)(F)F ZINC000451073401 429762809 /nfs/dbraw/zinc/76/28/09/429762809.db2.gz ZTBHXTUIRZXGCM-MRVPVSSYSA-N -1 3 318.320 2.696 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC=C(c2cncc(F)c2)CC1 ZINC000368004551 429764964 /nfs/dbraw/zinc/76/49/64/429764964.db2.gz FVOPVBBDLACJGY-UHFFFAOYSA-N -1 3 314.316 2.561 20 0 DFADHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000431587553 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-1 3 300.240 2.605 20 0 DFADHM Cc1cc(C)c(CS(=O)(=O)c2nc3c([n-]2)CCC3)c(C)c1 ZINC000582523029 430306905 /nfs/dbraw/zinc/30/69/05/430306905.db2.gz GYARVUSXDLKUBJ-UHFFFAOYSA-N -1 3 304.415 2.798 20 0 DFADHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000568033502 430307802 /nfs/dbraw/zinc/30/78/02/430307802.db2.gz OLRNVJIKNWMDDY-JOYOIKCWSA-N -1 3 323.817 2.555 20 0 DFADHM Cc1csc([C@H]2CCCN([C@H](C(=O)[O-])c3cccnc3)C2)n1 ZINC000568061769 430311105 /nfs/dbraw/zinc/31/11/05/430311105.db2.gz QSADWZCWPGJQGD-KBPBESRZSA-N -1 3 317.414 2.852 20 0 DFADHM C[C@H](c1nc(-c2ccccc2)no1)N1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000568075604 430314622 /nfs/dbraw/zinc/31/46/22/430314622.db2.gz PQWFXSNJYHAXRN-QFSBIZTOSA-N -1 3 315.373 2.840 20 0 DFADHM CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(Cl)cc1[O-] ZINC000568125670 430318074 /nfs/dbraw/zinc/31/80/74/430318074.db2.gz AGKFRGUGROHRMF-ZDUSSCGKSA-N -1 3 310.825 2.992 20 0 DFADHM C[C@@]1(CCc2ccccc2)CCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000545471171 430320601 /nfs/dbraw/zinc/32/06/01/430320601.db2.gz UAMGDCOOENYRLN-GOSISDBHSA-N -1 3 322.416 2.566 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000582707398 430325288 /nfs/dbraw/zinc/32/52/88/430325288.db2.gz FPHGYEAAFAQUKM-BYNSBNAKSA-N -1 3 305.422 2.567 20 0 DFADHM Cc1ncc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c(C2CC2)n1 ZINC000568217665 430335530 /nfs/dbraw/zinc/33/55/30/430335530.db2.gz YSGOAELHCQNTBZ-UHFFFAOYSA-N -1 3 311.267 2.657 20 0 DFADHM Cc1ncc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c(C2CC2)n1 ZINC000568217665 430335537 /nfs/dbraw/zinc/33/55/37/430335537.db2.gz YSGOAELHCQNTBZ-UHFFFAOYSA-N -1 3 311.267 2.657 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)s1 ZINC000546598009 430356912 /nfs/dbraw/zinc/35/69/12/430356912.db2.gz JTKKKMSEWGZIAU-CQSZACIVSA-N -1 3 323.443 2.530 20 0 DFADHM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccoc1C(=O)[O-] ZINC000583030181 430357752 /nfs/dbraw/zinc/35/77/52/430357752.db2.gz KEIVSHAUUKMORT-XHDPSFHLSA-N -1 3 301.342 2.802 20 0 DFADHM C[C@@H]([N-]c1nnc(C(F)F)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000568466427 430361001 /nfs/dbraw/zinc/36/10/01/430361001.db2.gz SUOVAOBLJGGMNV-MRVPVSSYSA-N -1 3 322.315 3.529 20 0 DFADHM O=C([O-])c1cnoc1CN1CCCC[C@H]1Cc1ccccc1 ZINC000583090069 430362856 /nfs/dbraw/zinc/36/28/56/430362856.db2.gz YFKNUWCTCIRIMM-AWEZNQCLSA-N -1 3 300.358 2.970 20 0 DFADHM CCN(CC)c1ncc(CN2CCC[C@H](CC(=O)[O-])C2)s1 ZINC000583131311 430367023 /nfs/dbraw/zinc/36/70/23/430367023.db2.gz RCOBWARMYBPZMI-GFCCVEGCSA-N -1 3 311.451 2.676 20 0 DFADHM C[C@@H](CN(Cc1cn2cc(Cl)ccc2n1)C1CC1)C(=O)[O-] ZINC000568523209 430367964 /nfs/dbraw/zinc/36/79/64/430367964.db2.gz WLQUXKAHVVIGCI-JTQLQIEISA-N -1 3 307.781 2.673 20 0 DFADHM COC[C@]1(C(=O)[O-])CCCN(c2cc(C)nc3ccccc32)C1 ZINC000568633169 430377276 /nfs/dbraw/zinc/37/72/76/430377276.db2.gz FAAVVWDFURPFIE-SFHVURJKSA-N -1 3 314.385 2.861 20 0 DFADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)C[C@H]2C(C)(C)C2(F)F)n1 ZINC000641315526 430382032 /nfs/dbraw/zinc/38/20/32/430382032.db2.gz JQKATZZQRMUVEU-BDAKNGLRSA-N -1 3 324.418 2.723 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)c1nccs1 ZINC000641336201 430386293 /nfs/dbraw/zinc/38/62/93/430386293.db2.gz CHHCJUJSRNRKNN-PSASIEDQSA-N -1 3 310.391 2.559 20 0 DFADHM CCOC(=O)CN(C(=O)c1cccc(CC)c1[O-])C1CCC1 ZINC000547367515 430388368 /nfs/dbraw/zinc/38/83/68/430388368.db2.gz YRKGIKIWJAAROR-UHFFFAOYSA-N -1 3 305.374 2.512 20 0 DFADHM Cc1cc(NC(=O)CNC(=O)c2ccc([O-])cc2)ccc1C1CC1 ZINC000547537305 430404209 /nfs/dbraw/zinc/40/42/09/430404209.db2.gz MBJJSKMNQGQTRT-UHFFFAOYSA-N -1 3 324.380 2.947 20 0 DFADHM O=S(=O)(CC[C@@H]1CCc2ccccc21)[N-]C1(C(F)F)CC1 ZINC000641480257 430409204 /nfs/dbraw/zinc/40/92/04/430409204.db2.gz PUFJGNQXRCDKRV-LBPRGKRZSA-N -1 3 315.385 2.824 20 0 DFADHM CCC(C)(C)c1nnc([N-][C@@H](c2ccccc2F)[C@@H](C)O)o1 ZINC000641649794 430434494 /nfs/dbraw/zinc/43/44/94/430434494.db2.gz JZWWYQIHYQCLLN-ZWNOBZJWSA-N -1 3 307.369 3.430 20 0 DFADHM C[C@@H](C1CC1)n1cc(NC(=O)c2c[n-]nc2-c2ccncc2)cn1 ZINC000547995561 430438233 /nfs/dbraw/zinc/43/82/33/430438233.db2.gz MJYUWAXIAMXVBZ-NSHDSACASA-N -1 3 322.372 2.892 20 0 DFADHM C[C@@H](C1CC1)n1cc(NC(=O)c2cn[n-]c2-c2ccncc2)cn1 ZINC000547995561 430438237 /nfs/dbraw/zinc/43/82/37/430438237.db2.gz MJYUWAXIAMXVBZ-NSHDSACASA-N -1 3 322.372 2.892 20 0 DFADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-][C@H](C)C(F)F)c1 ZINC000641706348 430447249 /nfs/dbraw/zinc/44/72/49/430447249.db2.gz SKKAFQVOLUEMGU-NXEZZACHSA-N -1 3 307.362 2.796 20 0 DFADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-][C@H](C)C(F)F)c1 ZINC000641706350 430447591 /nfs/dbraw/zinc/44/75/91/430447591.db2.gz SKKAFQVOLUEMGU-VHSXEESVSA-N -1 3 307.362 2.796 20 0 DFADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@H]([C@H](C)O)C2)c1C ZINC000569366819 430448285 /nfs/dbraw/zinc/44/82/85/430448285.db2.gz LYBJQRSPQWTPKR-STQMWFEESA-N -1 3 314.385 2.757 20 0 DFADHM Cc1scc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c1C ZINC000636110903 430463645 /nfs/dbraw/zinc/46/36/45/430463645.db2.gz OGBVKELYHGTZPN-UHFFFAOYSA-N -1 3 305.403 2.834 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@@H]2C2CCCC2)n1 ZINC000636111331 430464895 /nfs/dbraw/zinc/46/48/95/430464895.db2.gz JCSSNHJYRFBXII-CHWSQXEVSA-N -1 3 303.406 2.668 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cn(C)c3ccccc23)n1 ZINC000636114184 430465716 /nfs/dbraw/zinc/46/57/16/430465716.db2.gz NKVBDURVJLUIJS-UHFFFAOYSA-N -1 3 324.384 2.647 20 0 DFADHM CC(=O)[C@H](C)CCCCC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636111240 430466386 /nfs/dbraw/zinc/46/63/86/430466386.db2.gz QPIMKJFAJQRGKA-LLVKDONJSA-N -1 3 321.421 2.627 20 0 DFADHM C[C@@H]1CCCC[C@@H]1c1noc(-c2cc(=O)[n-]c(N(C)C)n2)n1 ZINC000584197908 430466550 /nfs/dbraw/zinc/46/65/50/430466550.db2.gz HXJOZRRXUDMOIH-ZJUUUORDSA-N -1 3 303.366 2.592 20 0 DFADHM CCO[C@@H]1C[C@](NCc2cnc(C3CC3)s2)(C(=O)[O-])C1(C)C ZINC000569576479 430467656 /nfs/dbraw/zinc/46/76/56/430467656.db2.gz VCWXXSRUYDGPBO-WBMJQRKESA-N -1 3 324.446 2.769 20 0 DFADHM CC(C)(C)[C@H](NC(=O)NCc1ncccc1[O-])C(F)(F)F ZINC000548394888 430468320 /nfs/dbraw/zinc/46/83/20/430468320.db2.gz ZJUWGUILSGHLMX-JTQLQIEISA-N -1 3 305.300 2.563 20 0 DFADHM Cc1cccc2ncc(CN3CCC[C@H](CC(=O)[O-])CC3)n21 ZINC000641814689 430481699 /nfs/dbraw/zinc/48/16/99/430481699.db2.gz UICOUVFKSLBSHJ-AWEZNQCLSA-N -1 3 301.390 2.720 20 0 DFADHM Cn1cc(CN2CCC[C@H](CC(=O)[O-])CC2)c(C(C)(C)C)n1 ZINC000641813997 430481779 /nfs/dbraw/zinc/48/17/79/430481779.db2.gz NBZHDOJNOWKKSU-ZDUSSCGKSA-N -1 3 307.438 2.794 20 0 DFADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000569637352 430472565 /nfs/dbraw/zinc/47/25/65/430472565.db2.gz LLFYJKHDCAIQQF-CQSZACIVSA-N -1 3 318.373 2.822 20 0 DFADHM CC(C)N(C(=O)[C@@H](C)N1CCC[C@@H](CC(=O)[O-])CC1)C(C)C ZINC000641796258 430475693 /nfs/dbraw/zinc/47/56/93/430475693.db2.gz TZYVVGDWPJOGGR-HUUCEWRRSA-N -1 3 312.454 2.597 20 0 DFADHM CCc1cccc(C(=O)N2CCc3ccccc3[C@H]2CO)c1[O-] ZINC000548462616 430476816 /nfs/dbraw/zinc/47/68/16/430476816.db2.gz BEWJOKMEORIZSK-QGZVFWFLSA-N -1 3 311.381 2.687 20 0 DFADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000548473968 430479835 /nfs/dbraw/zinc/47/98/35/430479835.db2.gz YUVNYEUPFHLCFO-NSHDSACASA-N -1 3 311.325 2.705 20 0 DFADHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1ccsc1 ZINC000641599424 430426258 /nfs/dbraw/zinc/42/62/58/430426258.db2.gz XFPUFCXDVPQBQY-UHFFFAOYSA-N -1 3 300.405 2.646 20 0 DFADHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000641597485 430426382 /nfs/dbraw/zinc/42/63/82/430426382.db2.gz CHNCRUMJLFZUGI-GFCCVEGCSA-N -1 3 322.377 2.571 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1cccnc1 ZINC000641594685 430426775 /nfs/dbraw/zinc/42/67/75/430426775.db2.gz PEIGAADUGVMQSF-KBPBESRZSA-N -1 3 320.389 2.611 20 0 DFADHM C[C@@H]1CN(Cc2cc(-c3ccccc3)on2)C[C@]1(C)C(=O)[O-] ZINC000583817821 430431005 /nfs/dbraw/zinc/43/10/05/430431005.db2.gz CRZAIVOTSLYNGU-PXAZEXFGSA-N -1 3 300.358 2.884 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])s1 ZINC000569754546 430483683 /nfs/dbraw/zinc/48/36/83/430483683.db2.gz CNQCNHFFYKYLRZ-UHFFFAOYSA-N -1 3 319.338 2.695 20 0 DFADHM COC[C@@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)C(C)C ZINC000569788446 430485762 /nfs/dbraw/zinc/48/57/62/430485762.db2.gz NWHIGSHSJFCXBF-OAHLLOKOSA-N -1 3 301.390 2.610 20 0 DFADHM C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)c2c([O-])cccc21 ZINC000274424777 277744224 /nfs/dbraw/zinc/74/42/24/277744224.db2.gz YYFUKHBCAWNEPM-VXGBXAGGSA-N -1 3 311.385 2.761 20 0 DFADHM CC(C)(C)OC(=O)Cn1cc([N-]c2nc3ccccc3o2)cn1 ZINC000591955094 430491755 /nfs/dbraw/zinc/49/17/55/430491755.db2.gz FGEAOAHBAYONIS-UHFFFAOYSA-N -1 3 314.345 3.110 20 0 DFADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(C(F)(F)F)cn1 ZINC000569845946 430492217 /nfs/dbraw/zinc/49/22/17/430492217.db2.gz VLHALMOYYNMPSN-UWVGGRQHSA-N -1 3 302.296 2.786 20 0 DFADHM CO[C@@H]1CCOc2c(NC(=O)c3cccc4nn[n-]c43)cccc21 ZINC000548727745 430496462 /nfs/dbraw/zinc/49/64/62/430496462.db2.gz CNNRETKOMYHACG-CQSZACIVSA-N -1 3 324.340 2.680 20 0 DFADHM CO[C@@H]1CCOc2c(NC(=O)c3cccc4[n-]nnc43)cccc21 ZINC000548727745 430496465 /nfs/dbraw/zinc/49/64/65/430496465.db2.gz CNNRETKOMYHACG-CQSZACIVSA-N -1 3 324.340 2.680 20 0 DFADHM CO[C@@H]1CCOc2c(NC(=O)c3cccc4n[n-]nc43)cccc21 ZINC000548727745 430496469 /nfs/dbraw/zinc/49/64/69/430496469.db2.gz CNNRETKOMYHACG-CQSZACIVSA-N -1 3 324.340 2.680 20 0 DFADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1c(C)nn(C)c1C ZINC000569915782 430497018 /nfs/dbraw/zinc/49/70/18/430497018.db2.gz SLNPLLSGAAUIPC-AAEUAGOBSA-N -1 3 303.410 2.643 20 0 DFADHM CC1(C)N[C@H](c2cc([O-])cc(F)c2)N(CC2CCCC2)C1=O ZINC000569908767 430497051 /nfs/dbraw/zinc/49/70/51/430497051.db2.gz IGKLFOYYDTWWNW-HNNXBMFYSA-N -1 3 306.381 2.931 20 0 DFADHM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636287301 430503951 /nfs/dbraw/zinc/50/39/51/430503951.db2.gz XJLKIYDFJMJRSG-LSDHHAIUSA-N -1 3 323.396 2.699 20 0 DFADHM Cc1ccc(CCCC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)s1 ZINC000636284839 430504088 /nfs/dbraw/zinc/50/40/88/430504088.db2.gz VICKDPNJSQHQOP-UHFFFAOYSA-N -1 3 317.414 2.726 20 0 DFADHM Cc1oc2ccccc2c1CC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636285029 430504275 /nfs/dbraw/zinc/50/42/75/430504275.db2.gz DSYVFXVNGGMQPK-UHFFFAOYSA-N -1 3 323.352 2.630 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C(C1CCC1)C1CCC1)C2 ZINC000636285847 430504322 /nfs/dbraw/zinc/50/43/22/430504322.db2.gz GFPZSRIQHXGBQF-UHFFFAOYSA-N -1 3 301.390 2.549 20 0 DFADHM CC[C@@](C)(C(=O)[O-])N(Cc1nnc(C2CCC2)n1C)CC1CC1 ZINC000570057788 430509669 /nfs/dbraw/zinc/50/96/69/430509669.db2.gz GMBLGGMDFRZRLD-KRWDZBQOSA-N -1 3 320.437 2.548 20 0 DFADHM CCc1cc(CCCN2CCc3ccc(C(=O)[O-])cc3C2)on1 ZINC000570050389 430509682 /nfs/dbraw/zinc/50/96/82/430509682.db2.gz CMBUPXUUGZVZIR-UHFFFAOYSA-N -1 3 314.385 2.926 20 0 DFADHM CC[C@@H]1CCC[C@@H]1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320806 430512122 /nfs/dbraw/zinc/51/21/22/430512122.db2.gz KZIQRUUZBXKTCK-RISCZKNCSA-N -1 3 303.406 2.892 20 0 DFADHM Cc1cccc(CC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC000636319229 430512779 /nfs/dbraw/zinc/51/27/79/430512779.db2.gz NOHZUURCLCKRRA-UHFFFAOYSA-N -1 3 311.385 2.617 20 0 DFADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000636319336 430512930 /nfs/dbraw/zinc/51/29/30/430512930.db2.gz MXYYASVOAWWXHT-NHAGDIPZSA-N -1 3 301.390 2.502 20 0 DFADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H]1CC2CCC1CC2 ZINC000636321806 430513394 /nfs/dbraw/zinc/51/33/94/430513394.db2.gz XRTAWFIPFKHLPX-KOHJWAIASA-N -1 3 315.417 2.892 20 0 DFADHM O=C(CC1CCSCC1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319953 430513451 /nfs/dbraw/zinc/51/34/51/430513451.db2.gz ZFZSHSHWRDMTNQ-UHFFFAOYSA-N -1 3 321.446 2.599 20 0 DFADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636323440 430514170 /nfs/dbraw/zinc/51/41/70/430514170.db2.gz ZBHHKCHDYGGWCQ-DYEKYZERSA-N -1 3 301.390 2.502 20 0 DFADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1coc(C(F)F)c1 ZINC000636323632 430514517 /nfs/dbraw/zinc/51/45/17/430514517.db2.gz OZAJOSVUTLYWJT-UHFFFAOYSA-N -1 3 323.299 2.910 20 0 DFADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(C(=O)OC)c(F)c1 ZINC000570401314 430541282 /nfs/dbraw/zinc/54/12/82/430541282.db2.gz OMVJJOOUOATPAI-NSHDSACASA-N -1 3 317.382 2.933 20 0 DFADHM CC1CCC(N(C)C(=O)COc2ccc3c([O-])coc3c2)CC1 ZINC000642608890 430520201 /nfs/dbraw/zinc/52/02/01/430520201.db2.gz SFGKCPRJFJYXTI-UHFFFAOYSA-N -1 3 317.385 2.678 20 0 DFADHM O=C(COc1ccc2c([O-])coc2c1)Nc1cc(F)ccc1F ZINC000642608564 430520315 /nfs/dbraw/zinc/52/03/15/430520315.db2.gz HOGHJDFPXIESRP-UHFFFAOYSA-N -1 3 319.263 2.557 20 0 DFADHM [O-]c1coc2cc(OCc3nc(-c4ccsc4)no3)ccc12 ZINC000642608780 430520538 /nfs/dbraw/zinc/52/05/38/430520538.db2.gz NXBMNVAGEXOZFB-UHFFFAOYSA-N -1 3 314.322 2.952 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCc3cc(F)c(F)cc32)c1 ZINC000642592481 430520675 /nfs/dbraw/zinc/52/06/75/430520675.db2.gz IDNRBUBVCSSWSZ-UHFFFAOYSA-N -1 3 305.280 2.882 20 0 DFADHM C[C@H]1Cc2ccccc2N1C(=O)COc1ccc2c([O-])coc2c1 ZINC000642608907 430521196 /nfs/dbraw/zinc/52/11/96/430521196.db2.gz UCBHEKDQGCOXGJ-LBPRGKRZSA-N -1 3 323.348 2.618 20 0 DFADHM CCOc1ccc(-c2nc(CN[C@@H](C)[C@@H](C)C(=O)[O-])co2)cc1 ZINC000570219031 430523164 /nfs/dbraw/zinc/52/31/64/430523164.db2.gz FYTWCBMCNLEBNT-NEPJUHHUSA-N -1 3 318.373 2.939 20 0 DFADHM C[C@@H]1C[C@@H](CO)CCN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000636395509 430535283 /nfs/dbraw/zinc/53/52/83/430535283.db2.gz IHIMAAHMWJQQQH-ZJUUUORDSA-N -1 3 317.307 2.644 20 0 DFADHM O=C(c1cc([O-])cc(Br)c1)N1OC2CCC1CC2 ZINC000636404089 430537189 /nfs/dbraw/zinc/53/71/89/430537189.db2.gz YQTWHUNQOOIDDL-UHFFFAOYSA-N -1 3 312.163 2.853 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC(C(F)(F)F)C1 ZINC000570397743 430538812 /nfs/dbraw/zinc/53/88/12/430538812.db2.gz BGDNKBRGJDUTHZ-UHFFFAOYSA-N -1 3 305.271 2.875 20 0 DFADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cscn2)c2ccccc21 ZINC000570566554 430555303 /nfs/dbraw/zinc/55/53/03/430555303.db2.gz AMSATUNUONSDFP-GFCCVEGCSA-N -1 3 308.428 2.844 20 0 DFADHM CC(C)n1ncc2cc(CN(C[C@H](C)C(=O)[O-])C3CC3)cnc21 ZINC000570576905 430555631 /nfs/dbraw/zinc/55/56/31/430555631.db2.gz NFZYDMCOJUDIJF-LBPRGKRZSA-N -1 3 316.405 2.697 20 0 DFADHM C[C@@H]1CCN(Cc2ccc(C(F)(F)F)cn2)[C@@H](C(=O)[O-])C1 ZINC000570576535 430557041 /nfs/dbraw/zinc/55/70/41/430557041.db2.gz FTOIXSYATQAJTP-BXKDBHETSA-N -1 3 302.296 2.786 20 0 DFADHM O=c1[n-]cnc2c1CN(c1nc(C3CCCCC3)ns1)CC2 ZINC000643186918 430557364 /nfs/dbraw/zinc/55/73/64/430557364.db2.gz WUMCMTZPLFOOET-UHFFFAOYSA-N -1 3 317.418 2.644 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCc2cccc(O)c21 ZINC000551885800 430566605 /nfs/dbraw/zinc/56/66/05/430566605.db2.gz LEMHDILUMYUJIW-GFCCVEGCSA-N -1 3 301.317 2.583 20 0 DFADHM CCOc1ncccc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000552069382 430583239 /nfs/dbraw/zinc/58/32/39/430583239.db2.gz PQZPNOQENYSMDH-UHFFFAOYSA-N -1 3 300.314 2.641 20 0 DFADHM CCC[C@H](C)c1cc(NC(=O)c2cc(C(F)(F)F)n[n-]2)n[nH]1 ZINC000616448466 430587425 /nfs/dbraw/zinc/58/74/25/430587425.db2.gz MVVHYPNVRHBARM-ZETCQYMHSA-N -1 3 315.299 3.308 20 0 DFADHM CCC[C@H](C)c1cc(NC(=O)c2cc(C(F)(F)F)[n-]n2)n[nH]1 ZINC000616448466 430587427 /nfs/dbraw/zinc/58/74/27/430587427.db2.gz MVVHYPNVRHBARM-ZETCQYMHSA-N -1 3 315.299 3.308 20 0 DFADHM CCc1cccc(C(=O)N2CCCC3(CCOCC3)C2)c1[O-] ZINC000552156476 430588912 /nfs/dbraw/zinc/58/89/12/430588912.db2.gz IBNFJVGHPSQUBA-UHFFFAOYSA-N -1 3 303.402 2.987 20 0 DFADHM CO[C@@H]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@H]1C ZINC000570943208 430591016 /nfs/dbraw/zinc/59/10/16/430591016.db2.gz QWGOQIXNPAYKKN-IUPBHXKESA-N -1 3 315.772 2.962 20 0 DFADHM Cc1cnc([C@H](C)[N-]c2noc(Cc3ccc(F)cc3)n2)o1 ZINC000621288002 430602187 /nfs/dbraw/zinc/60/21/87/430602187.db2.gz JLJRPIUDHBNPES-JTQLQIEISA-N -1 3 302.309 3.269 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2cc(-c3cccnc3)on2)c1[O-] ZINC000552287247 430592916 /nfs/dbraw/zinc/59/29/16/430592916.db2.gz MEDXHTYTUCHAHE-UHFFFAOYSA-N -1 3 323.308 2.897 20 0 DFADHM CCc1cccc(C(=O)N[C@@H](CO)c2ccc(F)cc2)c1[O-] ZINC000552328804 430593923 /nfs/dbraw/zinc/59/39/23/430593923.db2.gz IVEFNRHFFCSGNG-HNNXBMFYSA-N -1 3 303.333 2.557 20 0 DFADHM O=C(c1ccccc1[O-])N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000552451706 430598417 /nfs/dbraw/zinc/59/84/17/430598417.db2.gz WTRROADOUUEJRD-HUUCEWRRSA-N -1 3 308.381 2.601 20 0 DFADHM O=S(=O)([N-][C@H]1CCCc2sccc21)c1cscn1 ZINC000571043471 430598852 /nfs/dbraw/zinc/59/88/52/430598852.db2.gz FCEJFWFUPAXULF-VIFPVBQESA-N -1 3 300.430 2.561 20 0 DFADHM Cc1cc2cc(NC(=O)CNC(=O)c3ccc([O-])cc3)ccc2[nH]1 ZINC000550676661 430545121 /nfs/dbraw/zinc/54/51/21/430545121.db2.gz MIAGVKDGNHIUHX-UHFFFAOYSA-N -1 3 323.352 2.550 20 0 DFADHM CC(C)c1nnc([N-]C(=O)c2cc(C(F)(F)F)ccn2)s1 ZINC000639483163 430652483 /nfs/dbraw/zinc/65/24/83/430652483.db2.gz RODIPHIFZZGFAD-UHFFFAOYSA-N -1 3 316.308 3.328 20 0 DFADHM C[C@@H]1C[C@@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CO1 ZINC000571884066 430659254 /nfs/dbraw/zinc/65/92/54/430659254.db2.gz KWASJRZAYVZPBU-HTQZYQBOSA-N -1 3 311.794 2.699 20 0 DFADHM O=C(Nc1cc2ccccn2n1)c1c[n-]nc1-c1ccc(F)cc1 ZINC000553316150 430614331 /nfs/dbraw/zinc/61/43/31/430614331.db2.gz IWKFYZJOZOZGSU-UHFFFAOYSA-N -1 3 321.315 3.116 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1c[n-]c2ccncc2c1=O ZINC000553481849 430618624 /nfs/dbraw/zinc/61/86/24/430618624.db2.gz OJSHUUQVBXTHNM-MLGOLLRUSA-N -1 3 311.385 2.622 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3C[C@H]3C3CC3)c[n-]c12 ZINC000553546495 430619987 /nfs/dbraw/zinc/61/99/87/430619987.db2.gz WBQQAUJKEVWIQL-SMDDNHRTSA-N -1 3 300.333 2.504 20 0 DFADHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])cc1 ZINC000571452927 430628589 /nfs/dbraw/zinc/62/85/89/430628589.db2.gz KYZGGVSRDNNPFJ-SJORKVTESA-N -1 3 323.396 2.939 20 0 DFADHM COc1cccc2c1O[C@H](c1cc(F)c(F)c(F)c1)[N-]C2=O ZINC000639436444 430638321 /nfs/dbraw/zinc/63/83/21/430638321.db2.gz VGJVOMKSALRMDH-OAHLLOKOSA-N -1 3 309.243 2.934 20 0 DFADHM C[C@H]1CC[C@@H](CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)O1 ZINC000571570791 430638575 /nfs/dbraw/zinc/63/85/75/430638575.db2.gz JFXPBEHMNCYLSX-AAEUAGOBSA-N -1 3 313.344 2.809 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2cc(F)cc3nc[nH]c32)c1[O-] ZINC000571596515 430638985 /nfs/dbraw/zinc/63/89/85/430638985.db2.gz WMVSYXKMTUQIHL-UHFFFAOYSA-N -1 3 313.288 2.863 20 0 DFADHM CC(C)CCn1nccc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000554553717 430642705 /nfs/dbraw/zinc/64/27/05/430642705.db2.gz ZISFBMJNRNSVLE-UHFFFAOYSA-N -1 3 316.340 2.592 20 0 DFADHM CC(C)CCn1nccc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000554553717 430642708 /nfs/dbraw/zinc/64/27/08/430642708.db2.gz ZISFBMJNRNSVLE-UHFFFAOYSA-N -1 3 316.340 2.592 20 0 DFADHM CC(C)CCn1nccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000554553717 430642711 /nfs/dbraw/zinc/64/27/11/430642711.db2.gz ZISFBMJNRNSVLE-UHFFFAOYSA-N -1 3 316.340 2.592 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CC2CCC1CC2 ZINC000571638766 430643647 /nfs/dbraw/zinc/64/36/47/430643647.db2.gz YEUWEULCKBBZDP-HTAVTVPLSA-N -1 3 315.460 2.861 20 0 DFADHM CCc1cc(C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1[O-] ZINC000644007054 430649405 /nfs/dbraw/zinc/64/94/05/430649405.db2.gz UZHBUTGMBKPSIL-TVQRCGJNSA-N -1 3 317.307 2.746 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCCC2CC2)c1 ZINC000643999430 430649604 /nfs/dbraw/zinc/64/96/04/430649604.db2.gz IJDFMEAIZKRWDC-UHFFFAOYSA-N -1 3 310.419 2.885 20 0 DFADHM COCc1nc(C(=O)[N-]c2nc3c(s2)CCC3(C)C)co1 ZINC000572233651 430677450 /nfs/dbraw/zinc/67/74/50/430677450.db2.gz CMFYPKQJJMPTJK-UHFFFAOYSA-N -1 3 307.375 2.754 20 0 DFADHM Cc1ccc2c(ncc(C(=O)[O-])c2N(C)CC2(CO)CC2)c1C ZINC000572291340 430680283 /nfs/dbraw/zinc/68/02/83/430680283.db2.gz JWRFAPWERWIAPN-UHFFFAOYSA-N -1 3 314.385 2.759 20 0 DFADHM CC(C)c1[nH]ccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000285356017 277999159 /nfs/dbraw/zinc/99/91/59/277999159.db2.gz HLKIRDQNMATCKU-UHFFFAOYSA-N -1 3 321.402 2.762 20 0 DFADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000377383086 278070212 /nfs/dbraw/zinc/07/02/12/278070212.db2.gz OJMBPMJIGFEQHJ-ZUZCIYMTSA-N -1 3 307.346 2.626 20 0 DFADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc2[n-]nnc21 ZINC000556674650 430688343 /nfs/dbraw/zinc/68/83/43/430688343.db2.gz VVRFZBOSLXLIML-RKDXNWHRSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc2nn[n-]c21 ZINC000556674650 430688345 /nfs/dbraw/zinc/68/83/45/430688345.db2.gz VVRFZBOSLXLIML-RKDXNWHRSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc2n[n-]nc21 ZINC000556674650 430688346 /nfs/dbraw/zinc/68/83/46/430688346.db2.gz VVRFZBOSLXLIML-RKDXNWHRSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@@H]1CCN(Cc2conc2Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000572483228 430688558 /nfs/dbraw/zinc/68/85/58/430688558.db2.gz VHHIMNQTEXPGLC-CJNGLKHVSA-N -1 3 314.385 2.808 20 0 DFADHM CSc1nnc(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)[n-]1 ZINC000353760994 278178228 /nfs/dbraw/zinc/17/82/28/278178228.db2.gz KZAGASONVODCLK-MRVPVSSYSA-N -1 3 324.793 2.685 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)n1 ZINC000353760994 278178229 /nfs/dbraw/zinc/17/82/29/278178229.db2.gz KZAGASONVODCLK-MRVPVSSYSA-N -1 3 324.793 2.685 20 0 DFADHM CSc1nc(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)n[n-]1 ZINC000353760994 278178230 /nfs/dbraw/zinc/17/82/30/278178230.db2.gz KZAGASONVODCLK-MRVPVSSYSA-N -1 3 324.793 2.685 20 0 DFADHM COc1cc2c(c(CN3CCC[C@@H](CC(=O)[O-])C3)c1)O[C@@H](C)C2 ZINC000556919430 430695870 /nfs/dbraw/zinc/69/58/70/430695870.db2.gz TYKTXENYRMTJLJ-STQMWFEESA-N -1 3 319.401 2.705 20 0 DFADHM Cc1csc([C@H]2CCCN(Cc3oncc3C(=O)[O-])C2)n1 ZINC000572967383 430698876 /nfs/dbraw/zinc/69/88/76/430698876.db2.gz BMGMAESQKNRAKK-JTQLQIEISA-N -1 3 307.375 2.517 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NC3CCSCC3)c([O-])c2O1 ZINC000408410345 278396700 /nfs/dbraw/zinc/39/67/00/278396700.db2.gz OHVOFBHGIUOFBG-UHFFFAOYSA-N -1 3 307.415 2.731 20 0 DFADHM [O-]c1cccc(CN[C@@H]2C[C@H](O)C23CCC3)c1Br ZINC000657708041 430715083 /nfs/dbraw/zinc/71/50/83/430715083.db2.gz JRCYGUMCVDRPHF-NEPJUHHUSA-N -1 3 312.207 2.548 20 0 DFADHM O=C([N-]c1cnoc1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000648232891 430718747 /nfs/dbraw/zinc/71/87/47/430718747.db2.gz FSSBUPGCAVOYMT-UHFFFAOYSA-N -1 3 323.736 2.533 20 0 DFADHM CCN1CCc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc21 ZINC000654703367 430782068 /nfs/dbraw/zinc/78/20/68/430782068.db2.gz WKDMKNUPXWLSLQ-UHFFFAOYSA-N -1 3 324.384 2.694 20 0 DFADHM Cn1c(CN[C@@H]2CC[C@H](C(=O)[O-])C2)nc2ccc(Cl)cc21 ZINC000644596941 430764830 /nfs/dbraw/zinc/76/48/30/430764830.db2.gz PIKNMHNUZLAJBN-GXSJLCMTSA-N -1 3 307.781 2.570 20 0 DFADHM Cc1c(S(=O)(=O)[N-]c2c(C)cc(C)cc2Cl)cnn1C ZINC000644635763 430777173 /nfs/dbraw/zinc/77/71/73/430777173.db2.gz RSFQEKWACWYLOD-UHFFFAOYSA-N -1 3 313.810 2.800 20 0 DFADHM C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H](CC(=O)[O-])CC2)[C@H]1C ZINC000648421177 430780470 /nfs/dbraw/zinc/78/04/70/430780470.db2.gz PWSDVNVGTCNQCR-UGUYLWEFSA-N -1 3 324.465 2.504 20 0 DFADHM Cc1cccc2c1CCCN2C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654792666 430813288 /nfs/dbraw/zinc/81/32/88/430813288.db2.gz XKMXIQHZTVPDJF-UHFFFAOYSA-N -1 3 309.369 2.961 20 0 DFADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1noc(C(F)F)n1 ZINC000644778201 430819811 /nfs/dbraw/zinc/81/98/11/430819811.db2.gz VKPXPUKRAREGDK-RXMQYKEDSA-N -1 3 317.679 2.857 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@H]1c1cccc(F)c1 ZINC000654845380 430826136 /nfs/dbraw/zinc/82/61/36/430826136.db2.gz LFVPHKPPYOBRHR-AWEZNQCLSA-N -1 3 313.332 2.786 20 0 DFADHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651629102 430834296 /nfs/dbraw/zinc/83/42/96/430834296.db2.gz JHVSTKHVOSOVSA-RNCFNFMXSA-N -1 3 321.801 2.573 20 0 DFADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@]12C[C@@H]1CCC2 ZINC000648431127 430784250 /nfs/dbraw/zinc/78/42/50/430784250.db2.gz IUPBSGVQSRVXLN-CPCISQLKSA-N -1 3 307.703 2.649 20 0 DFADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)C1(CCF)CC1 ZINC000648431527 430784516 /nfs/dbraw/zinc/78/45/16/430784516.db2.gz ZVXXBFMJCFYENL-UHFFFAOYSA-N -1 3 313.682 2.599 20 0 DFADHM Cc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)ns1 ZINC000648432089 430785077 /nfs/dbraw/zinc/78/50/77/430785077.db2.gz PLRJFVMNQWDRIG-UHFFFAOYSA-N -1 3 324.715 2.538 20 0 DFADHM Cc1cnc(-c2noc(-c3ccc4c(c3[O-])OC(C)(C)C4)n2)cn1 ZINC000665021254 430805898 /nfs/dbraw/zinc/80/58/98/430805898.db2.gz SAIRZPNHHDJTNU-UHFFFAOYSA-N -1 3 324.340 2.921 20 0 DFADHM C[C@@H](Cc1c[nH]cn1)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000654966406 430851045 /nfs/dbraw/zinc/85/10/45/430851045.db2.gz YWZPLXNZUXZCAA-QMMMGPOBSA-N -1 3 313.279 2.951 20 0 DFADHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651691998 430851160 /nfs/dbraw/zinc/85/11/60/430851160.db2.gz OLDGZJGPRLYKHC-SNVBAGLBSA-N -1 3 309.815 2.651 20 0 DFADHM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2ncccc2[O-])c(C)n1 ZINC000654995478 430862974 /nfs/dbraw/zinc/86/29/74/430862974.db2.gz UTONPTDBHVNTKE-SNVBAGLBSA-N -1 3 314.389 2.889 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CCCC[C@@H]2C2CCC2)c(=O)[n-]1 ZINC000648704915 430864058 /nfs/dbraw/zinc/86/40/58/430864058.db2.gz VFVTWRKYBPCOHG-MRXNPFEDSA-N -1 3 317.433 2.913 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)[C@H](O)C(C)C ZINC000651741748 430865245 /nfs/dbraw/zinc/86/52/45/430865245.db2.gz UVLNYZKXLHRKSR-QWHCGFSZSA-N -1 3 323.817 2.553 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)[C@@H](O)C(C)C ZINC000651741749 430865506 /nfs/dbraw/zinc/86/55/06/430865506.db2.gz UVLNYZKXLHRKSR-STQMWFEESA-N -1 3 323.817 2.553 20 0 DFADHM O=S(=O)([N-][C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(Cl)c(F)c1 ZINC000651756197 430867920 /nfs/dbraw/zinc/86/79/20/430867920.db2.gz NPGQLCTXZHCNJV-LPEHRKFASA-N -1 3 303.786 2.946 20 0 DFADHM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651755043 430868013 /nfs/dbraw/zinc/86/80/13/430868013.db2.gz ZCVUVBFETLWBOR-ZJUUUORDSA-N -1 3 323.817 2.555 20 0 DFADHM CCOc1ccc2c(c1)[C@@H]([N-]c1nnc(C(F)F)o1)CCO2 ZINC000644940018 430871276 /nfs/dbraw/zinc/87/12/76/430871276.db2.gz ZTWJFRAOHKJBAG-JTQLQIEISA-N -1 3 311.288 3.342 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCSC12CCCCC2 ZINC000655064755 430885893 /nfs/dbraw/zinc/88/58/93/430885893.db2.gz UETCNPUCCLOUSG-UHFFFAOYSA-N -1 3 319.430 2.909 20 0 DFADHM Cc1cc(Br)c(CN[C@H](C)C(=O)[O-])cc1Cl ZINC000665334984 430900844 /nfs/dbraw/zinc/90/08/44/430900844.db2.gz GKQZAPRETZCACP-SSDOTTSWSA-N -1 3 306.587 2.974 20 0 DFADHM COCCOc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000665342795 430902483 /nfs/dbraw/zinc/90/24/83/430902483.db2.gz NPNZTRODGIQEQV-UHFFFAOYSA-N -1 3 321.417 2.789 20 0 DFADHM O=C([O-])[C@]12COC[C@H]1CN(Cc1c(Cl)oc3ccccc31)C2 ZINC000665345157 430902991 /nfs/dbraw/zinc/90/29/91/430902991.db2.gz GDPLPIUJXBDFGH-QLJPJBMISA-N -1 3 321.760 2.619 20 0 DFADHM O=C([O-])[C@H](CNCc1conc1Cc1ccccc1)C1CCC1 ZINC000665358528 430908501 /nfs/dbraw/zinc/90/85/01/430908501.db2.gz IWSCQIQTPCHWNR-MRXNPFEDSA-N -1 3 314.385 2.856 20 0 DFADHM COc1cc2c(c(CNC[C@@H](C(=O)[O-])C3CCC3)c1)O[C@@H](C)C2 ZINC000665361201 430910237 /nfs/dbraw/zinc/91/02/37/430910237.db2.gz LHFZHWWGEVACMF-MEDUHNTESA-N -1 3 319.401 2.609 20 0 DFADHM C[C@H]1COC2(CCCC2)CN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000661978559 430911053 /nfs/dbraw/zinc/91/10/53/430911053.db2.gz MGRMUPIPNFLLIK-LBPRGKRZSA-N -1 3 303.406 2.593 20 0 DFADHM Cc1ncc2c(n1)CC[C@H](NCc1cccc([O-])c1Cl)C2 ZINC000645145584 430913915 /nfs/dbraw/zinc/91/39/15/430913915.db2.gz BJEDMHOMYKCEGU-ZDUSSCGKSA-N -1 3 303.793 2.791 20 0 DFADHM O=S(=O)([N-]C1CC2(CCC2)C1)c1cccnc1C(F)(F)F ZINC000651920299 430915205 /nfs/dbraw/zinc/91/52/05/430915205.db2.gz FZCYANVTISUQHM-UHFFFAOYSA-N -1 3 320.336 2.711 20 0 DFADHM O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655158129 430915608 /nfs/dbraw/zinc/91/56/08/430915608.db2.gz PPTSBQRKQNOLIX-ZIAGYGMSSA-N -1 3 309.369 2.593 20 0 DFADHM [O-]c1cccc(CN[C@@H]2CCN(CC(F)(F)F)C2)c1Cl ZINC000645151814 430915622 /nfs/dbraw/zinc/91/56/22/430915622.db2.gz MBSIMOAZAGBQBM-SNVBAGLBSA-N -1 3 308.731 2.772 20 0 DFADHM CC(C)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C1(CO)CC=CC1 ZINC000655179364 430923918 /nfs/dbraw/zinc/92/39/18/430923918.db2.gz BPWPTFSGBDVPJX-KRWDZBQOSA-N -1 3 321.392 2.543 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C(C)C)C2(CO)CC=CC2)ccc1[O-] ZINC000655178074 430924087 /nfs/dbraw/zinc/92/40/87/430924087.db2.gz SZAWSPWLTHAJJK-INIZCTEOSA-N -1 3 303.402 2.784 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1[O-] ZINC000665420285 430929561 /nfs/dbraw/zinc/92/95/61/430929561.db2.gz LXWMWGCBYFIYAE-HNNXBMFYSA-N -1 3 324.380 2.695 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2snnc2C2CC2)c1[O-] ZINC000648904386 430931815 /nfs/dbraw/zinc/93/18/15/430931815.db2.gz SGEOLNCMIYDYAN-UHFFFAOYSA-N -1 3 303.343 2.576 20 0 DFADHM COc1ccccc1-c1cc(=NC(=O)CC2CC(F)(F)C2)[nH][n-]1 ZINC000648904493 430932471 /nfs/dbraw/zinc/93/24/71/430932471.db2.gz ONDCUYCGNWGGOZ-UHFFFAOYSA-N -1 3 321.327 2.881 20 0 DFADHM CC(=O)c1ccc(C(=O)N(Cc2ccccn2)C2CC2)cc1[O-] ZINC000665468109 430940884 /nfs/dbraw/zinc/94/08/84/430940884.db2.gz RSPDGYIRXIZGPE-UHFFFAOYSA-N -1 3 310.353 2.795 20 0 DFADHM CC1(CC(F)F)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000649021061 430977246 /nfs/dbraw/zinc/97/72/46/430977246.db2.gz OWZUCQWOQPEWOO-UHFFFAOYSA-N -1 3 306.312 2.645 20 0 DFADHM CC[C@H]([N-]c1nc2ccccc2o1)C(=O)NCc1cccs1 ZINC000645348969 430978810 /nfs/dbraw/zinc/97/88/10/430978810.db2.gz FEIAALOYYMXRTJ-LBPRGKRZSA-N -1 3 315.398 3.396 20 0 DFADHM O=C(Cc1cncc([O-])c1)NC1(c2ccc(F)cc2)CCC1 ZINC000655390952 430988664 /nfs/dbraw/zinc/98/86/64/430988664.db2.gz VTQYBAQAGXPPTG-UHFFFAOYSA-N -1 3 300.333 2.664 20 0 DFADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Cc1cncc([O-])c1 ZINC000655392876 430990301 /nfs/dbraw/zinc/99/03/01/430990301.db2.gz DDZTZQKNKPJZKZ-KOLCDFICSA-N -1 3 302.296 2.519 20 0 DFADHM CCCOc1cc(C)ccc1CNC(=O)Cc1cncc([O-])c1 ZINC000655392693 430990586 /nfs/dbraw/zinc/99/05/86/430990586.db2.gz LMXFULXMUFDXHW-UHFFFAOYSA-N -1 3 314.385 2.743 20 0 DFADHM CCCN([C@@H](CC)c1ccccc1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662202604 430995639 /nfs/dbraw/zinc/99/56/39/430995639.db2.gz NMBRUUSCRJXTSU-HOTGVXAUSA-N -1 3 318.417 2.535 20 0 DFADHM C[C@]1(c2cccc(F)c2)CCN(C(=O)Cc2cncc([O-])c2)C1 ZINC000655407741 430995751 /nfs/dbraw/zinc/99/57/51/430995751.db2.gz PJEWCYOPIKMRTL-SFHVURJKSA-N -1 3 314.360 2.659 20 0 DFADHM C[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(C)(C)O ZINC000649087151 430995860 /nfs/dbraw/zinc/99/58/60/430995860.db2.gz RIPOKLSQJMEDCZ-GFCCVEGCSA-N -1 3 301.386 2.754 20 0 DFADHM CO[C@H](CN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000662206296 430997058 /nfs/dbraw/zinc/99/70/58/430997058.db2.gz XTSDEDGFQHCRNM-JHJVBQTASA-N -1 3 317.307 2.569 20 0 DFADHM CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)[C@@H]1CCCCO1 ZINC000655412737 430997318 /nfs/dbraw/zinc/99/73/18/430997318.db2.gz XXVPSFMBCCEIND-HOCLYGCPSA-N -1 3 305.374 2.672 20 0 DFADHM CCN(Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H](C)C(=O)[O-] ZINC000662218328 431002314 /nfs/dbraw/zinc/00/23/14/431002314.db2.gz ZKRUWGBHUIYGPV-MRVPVSSYSA-N -1 3 316.188 2.936 20 0 DFADHM CCN(Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H](C)C(=O)[O-] ZINC000662218331 431002734 /nfs/dbraw/zinc/00/27/34/431002734.db2.gz ZKRUWGBHUIYGPV-QMMMGPOBSA-N -1 3 316.188 2.936 20 0 DFADHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2cscn2)cc1 ZINC000645449948 431004214 /nfs/dbraw/zinc/00/42/14/431004214.db2.gz VLLKFGZXAALVBU-JTQLQIEISA-N -1 3 312.416 2.581 20 0 DFADHM CN(C)CC(C)(C)N=c1nc(-c2cc(F)cc(F)c2)[n-]s1 ZINC000645254999 430953654 /nfs/dbraw/zinc/95/36/54/430953654.db2.gz HBOVEPYVULULPG-UHFFFAOYSA-N -1 3 312.389 2.657 20 0 DFADHM C[C@@H](Cc1ccccn1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000655305516 430954693 /nfs/dbraw/zinc/95/46/93/430954693.db2.gz GTCPJWDBNQQGAT-ZDUSSCGKSA-N -1 3 316.376 2.996 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)Cc3ccccn3)ccc2[n-]1 ZINC000655306127 430954870 /nfs/dbraw/zinc/95/48/70/430954870.db2.gz MGBGQWZBLQEGOR-LBPRGKRZSA-N -1 3 324.384 2.718 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)Cc3ccccn3)cc2[n-]1 ZINC000655306127 430954875 /nfs/dbraw/zinc/95/48/75/430954875.db2.gz MGBGQWZBLQEGOR-LBPRGKRZSA-N -1 3 324.384 2.718 20 0 DFADHM CCN(C(=O)c1cc([O-])ccc1C(F)(F)F)c1cnn(C)c1 ZINC000655333086 430964126 /nfs/dbraw/zinc/96/41/26/430964126.db2.gz ATFFLPZKHLUYNY-UHFFFAOYSA-N -1 3 313.279 2.811 20 0 DFADHM CCCN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@@H]1CCN(C)C1 ZINC000648997366 430965562 /nfs/dbraw/zinc/96/55/62/430965562.db2.gz NWWOQMAWPWXFRG-LLVKDONJSA-N -1 3 314.788 2.741 20 0 DFADHM COCC(C)(C)[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000645515834 431021020 /nfs/dbraw/zinc/02/10/20/431021020.db2.gz NGOHCJNTAVXMEW-UHFFFAOYSA-N -1 3 313.444 2.913 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H]3CCS[C@@H]3C)ccc2[n-]1 ZINC000649173699 431021538 /nfs/dbraw/zinc/02/15/38/431021538.db2.gz XNCHNQZKEZNIPW-KOLCDFICSA-N -1 3 305.403 2.585 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H]3CCS[C@@H]3C)cc2[n-]1 ZINC000649173699 431021544 /nfs/dbraw/zinc/02/15/44/431021544.db2.gz XNCHNQZKEZNIPW-KOLCDFICSA-N -1 3 305.403 2.585 20 0 DFADHM Cc1cccc2cc(S(=O)(=O)[N-][C@@H]3CCCOC3)sc21 ZINC000645522614 431023636 /nfs/dbraw/zinc/02/36/36/431023636.db2.gz JSFNHPJKPZRVNC-GFCCVEGCSA-N -1 3 311.428 2.667 20 0 DFADHM Cc1noc(C)c1CCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000652486015 431069221 /nfs/dbraw/zinc/06/92/21/431069221.db2.gz ZYIDZCZKTSBJNB-UHFFFAOYSA-N -1 3 300.358 2.590 20 0 DFADHM COc1ccc(C(C)C)cc1Cn1cc(Cl)c(=O)[n-]c1=O ZINC000655494020 431028256 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Cn1ncc(C2CCC2)c1C[N-]c1nc(C2CCOCC2)no1 ZINC000664499722 431800981 /nfs/dbraw/zinc/80/09/81/431800981.db2.gz IWMFOGQCCCDCHR-UHFFFAOYSA-N -1 3 317.393 2.577 20 0 DFADHM Cc1nnc([N-]C(=O)c2nc3ccccc3nc2C2CC2)s1 ZINC000648171653 431831120 /nfs/dbraw/zinc/83/11/20/431831120.db2.gz ZXZKYXXOWZODJI-UHFFFAOYSA-N -1 3 311.370 2.919 20 0 DFADHM CCc1cc(=O)[n-]c(CN2C[C@H](c3ccccc3)OC[C@H]2C)n1 ZINC000246773713 281387078 /nfs/dbraw/zinc/38/70/78/281387078.db2.gz WRYIWIJMFJZISA-CZUORRHYSA-N -1 3 313.401 2.707 20 0 DFADHM CC1(CC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)CCCC1 ZINC000329410363 281550074 /nfs/dbraw/zinc/55/00/74/281550074.db2.gz DRPUHJBDWXVPAS-SJKOYZFVSA-N -1 3 321.421 2.981 20 0 DFADHM CCOC(=O)N[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])C(C)C ZINC000153643511 289053534 /nfs/dbraw/zinc/05/35/34/289053534.db2.gz OYSRTWHGZCRXLR-GFCCVEGCSA-N -1 3 314.769 2.755 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2)c1 ZINC000153757106 289058975 /nfs/dbraw/zinc/05/89/75/289058975.db2.gz 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ZINC000436531666 297010026 /nfs/dbraw/zinc/01/00/26/297010026.db2.gz DKHIRYMAIJSOQY-UHFFFAOYSA-N -1 3 312.369 2.957 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)CC(=O)OC(C)(C)C)c([O-])c1C ZINC000436543985 297011261 /nfs/dbraw/zinc/01/12/61/297011261.db2.gz NRAHEAVKNZOWHU-NSHDSACASA-N -1 3 307.390 2.859 20 0 DFADHM CC[C@](NC(=O)c1ccccc1[O-])(C(=O)OC)c1ccccc1 ZINC000436558140 297012179 /nfs/dbraw/zinc/01/21/79/297012179.db2.gz UGSXXHJUGAKJGP-GOSISDBHSA-N -1 3 313.353 2.601 20 0 DFADHM Cc1cccc(C(=O)NCCOc2ccc(F)c(F)c2)c1[O-] ZINC000436555365 297012278 /nfs/dbraw/zinc/01/22/78/297012278.db2.gz MWRCVPVCLOKOLI-UHFFFAOYSA-N -1 3 307.296 2.788 20 0 DFADHM CCc1ccc([C@H](COC)NC(=O)c2ccc(C)cc2[O-])o1 ZINC000436591496 297015899 /nfs/dbraw/zinc/01/58/99/297015899.db2.gz QKLIWJLEOOCOKT-AWEZNQCLSA-N -1 3 303.358 2.974 20 0 DFADHM O=C(NC[C@H](O)C1CCCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436563195 297012699 /nfs/dbraw/zinc/01/26/99/297012699.db2.gz HHICNXGVODXZKS-SFHVURJKSA-N -1 3 317.429 2.942 20 0 DFADHM COC[C@@](C)(NC(=O)c1ccc(C)c(C)c1[O-])C(F)(F)F ZINC000436574052 297013614 /nfs/dbraw/zinc/01/36/14/297013614.db2.gz KWDJOTNATXKMAP-CYBMUJFWSA-N -1 3 305.296 2.706 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC000436571371 297013688 /nfs/dbraw/zinc/01/36/88/297013688.db2.gz BEMSDWBTBIJFDS-ZDUSSCGKSA-N -1 3 318.417 2.645 20 0 DFADHM CC[C@H](C)[C@](C)(O)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436589723 297015949 /nfs/dbraw/zinc/01/59/49/297015949.db2.gz QKASIOZKCPMEHA-BBATYDOGSA-N -1 3 321.417 2.633 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)c([O-])c1C ZINC000436578092 297014112 /nfs/dbraw/zinc/01/41/12/297014112.db2.gz PVWIYAPPXFJKCV-HNNXBMFYSA-N -1 3 318.417 2.563 20 0 DFADHM CCCN(CC(C)(C)O)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436579327 297014166 /nfs/dbraw/zinc/01/41/66/297014166.db2.gz ZBCAYBDCMXSUPW-UHFFFAOYSA-N -1 3 321.417 2.729 20 0 DFADHM C[C@]1(CO)CCC[C@@H]1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436581436 297014932 /nfs/dbraw/zinc/01/49/32/297014932.db2.gz FCUGGNPGHWMUMS-FUHWJXTLSA-N -1 3 303.402 2.552 20 0 DFADHM CCOC(=O)CN(C(=O)c1cc(C)ccc1[O-])C1CCCC1 ZINC000436579813 297015045 /nfs/dbraw/zinc/01/50/45/297015045.db2.gz AXXSNAIOJDIHFR-UHFFFAOYSA-N -1 3 305.374 2.649 20 0 DFADHM COC(=O)CC1(NC(=O)c2ccc(C(C)C)cc2[O-])CCC1 ZINC000436579612 297015048 /nfs/dbraw/zinc/01/50/48/297015048.db2.gz CVPODXHYCNYJAW-UHFFFAOYSA-N -1 3 305.374 2.731 20 0 DFADHM CC[C@@H]1CN(C(=O)c2cc(C)ccc2[O-])[C@@H](CC)CN1C(C)=O ZINC000436589602 297015643 /nfs/dbraw/zinc/01/56/43/297015643.db2.gz WSDJVOLUPCIPQS-CABCVRRESA-N -1 3 318.417 2.562 20 0 DFADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436592490 297016120 /nfs/dbraw/zinc/01/61/20/297016120.db2.gz VWDNDGUAKWEZSI-IUODEOHRSA-N -1 3 303.402 2.911 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc([S@@](C)=O)cc2)c([O-])c1C ZINC000436592680 297016195 /nfs/dbraw/zinc/01/61/95/297016195.db2.gz XRCRNKMRZSTVFN-OAQYLSRUSA-N -1 3 303.383 2.999 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc2c(cc1[O-])CCCC2 ZINC000436591741 297016243 /nfs/dbraw/zinc/01/62/43/297016243.db2.gz XYQZMQKDXPXXEZ-LESCRADOSA-N -1 3 315.413 2.958 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCC[C@@H]3CCCCO3)c([O-])c2O1 ZINC000436597063 297016734 /nfs/dbraw/zinc/01/67/34/297016734.db2.gz SVKSYTUZYVRQAP-ZDUSSCGKSA-N -1 3 319.401 2.795 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000436601678 297017102 /nfs/dbraw/zinc/01/71/02/297017102.db2.gz CTSDOCSDVCSARP-HZPDHXFCSA-N -1 3 315.413 2.770 20 0 DFADHM COCCN(C[C@@H]1CC=CCC1)C(=O)c1cc(OC)ccc1[O-] ZINC000436600533 297017124 /nfs/dbraw/zinc/01/71/24/297017124.db2.gz GMZROTHLBIIXCU-CQSZACIVSA-N -1 3 319.401 2.846 20 0 DFADHM Cc1ccc(C(=O)NC(C)(C)C(=O)NCC(C)(C)C)c([O-])c1C ZINC000436604912 297017700 /nfs/dbraw/zinc/01/77/00/297017700.db2.gz OOJRAJKKTIOTCD-UHFFFAOYSA-N -1 3 320.433 2.680 20 0 DFADHM O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(O)cc1[O-] ZINC000436608523 297017828 /nfs/dbraw/zinc/01/78/28/297017828.db2.gz QOQVADPGSZIALF-CQSZACIVSA-N -1 3 317.316 2.881 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](CO)C2CCCC2)c([O-])c1 ZINC000436610184 297018168 /nfs/dbraw/zinc/01/81/68/297018168.db2.gz MTJRKXURKHFFKO-INIZCTEOSA-N -1 3 321.417 2.852 20 0 DFADHM C[C@H]1OCC[C@@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436619811 297018799 /nfs/dbraw/zinc/01/87/99/297018799.db2.gz SPTAJCNBDUFVPF-DYVFJYSZSA-N -1 3 311.381 2.890 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2O)C1(CC)CC ZINC000436648750 297021243 /nfs/dbraw/zinc/02/12/43/297021243.db2.gz RLNZOPDQTDVKMK-KGLIPLIRSA-N -1 3 307.390 2.811 20 0 DFADHM CCC[C@@]1(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCOC1 ZINC000436642005 297020255 /nfs/dbraw/zinc/02/02/55/297020255.db2.gz FPKKGCXGFRICRO-GOSISDBHSA-N -1 3 319.401 2.795 20 0 DFADHM COCCCOc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000436645026 297020587 /nfs/dbraw/zinc/02/05/87/297020587.db2.gz AGVNUTMXCSROBX-UHFFFAOYSA-N -1 3 317.341 2.765 20 0 DFADHM Cn1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])nn1 ZINC000436646617 297020840 /nfs/dbraw/zinc/02/08/40/297020840.db2.gz OUOVSGRRPHCNGY-UHFFFAOYSA-N -1 3 310.313 2.565 20 0 DFADHM C[C@@H](CNC(=O)c1c([O-])cccc1O)Oc1cccc(Cl)c1 ZINC000436646829 297020939 /nfs/dbraw/zinc/02/09/39/297020939.db2.gz JLBTXZURKAMBKH-JTQLQIEISA-N -1 3 321.760 2.949 20 0 DFADHM CCCOC1(CNC(=O)c2c([O-])cccc2O)CCCCC1 ZINC000436650021 297021617 /nfs/dbraw/zinc/02/16/17/297021617.db2.gz XZIZSOCBVCBBII-UHFFFAOYSA-N -1 3 307.390 2.957 20 0 DFADHM CCc1ccc([C@@H](CO)NC(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000436705395 297026947 /nfs/dbraw/zinc/02/69/47/297026947.db2.gz NDXSLMOXBPWCFP-QGZVFWFLSA-N -1 3 313.397 2.980 20 0 DFADHM Cc1nccn1CCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000436680586 297024620 /nfs/dbraw/zinc/02/46/20/297024620.db2.gz KIJOUIXDNSZCPI-UHFFFAOYSA-N -1 3 309.369 2.870 20 0 DFADHM Cc1ccc(C(=O)NCC2([C@H](C)CCO)CCC2)c([O-])c1C ZINC000436684745 297024794 /nfs/dbraw/zinc/02/47/94/297024794.db2.gz FXBVXUYCZULZIA-CYBMUJFWSA-N -1 3 305.418 2.928 20 0 DFADHM Cc1nccn1CCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436682518 297024946 /nfs/dbraw/zinc/02/49/46/297024946.db2.gz QTINBOHPEKTJJZ-UHFFFAOYSA-N -1 3 313.401 2.596 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCS1 ZINC000436686371 297025060 /nfs/dbraw/zinc/02/50/60/297025060.db2.gz FBSYLHYLSHRLFQ-SNVBAGLBSA-N -1 3 307.415 2.683 20 0 DFADHM CC[C@@H](C)c1noc(CCNC(=O)c2ccc(C)cc2[O-])n1 ZINC000436685735 297025153 /nfs/dbraw/zinc/02/51/53/297025153.db2.gz CFJSIOQIDYRZPX-LLVKDONJSA-N -1 3 303.362 2.570 20 0 DFADHM Cc1ccoc1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436707188 297026712 /nfs/dbraw/zinc/02/67/12/297026712.db2.gz WYROCWFJMOXHAC-UHFFFAOYSA-N -1 3 301.342 2.937 20 0 DFADHM COc1cccc(C(=O)NC2(c3ccc(F)cc3)CC2)c1[O-] ZINC000436711596 297027253 /nfs/dbraw/zinc/02/72/53/297027253.db2.gz AJFWDVWIQYUULD-UHFFFAOYSA-N -1 3 301.317 2.959 20 0 DFADHM CCCNC(=O)C1(NC(=O)c2cc(C)ccc2[O-])CCCCC1 ZINC000436711539 297027310 /nfs/dbraw/zinc/02/73/10/297027310.db2.gz JFLDINFQRQUDSC-UHFFFAOYSA-N -1 3 318.417 2.660 20 0 DFADHM CC[C@H](C)N[C@H](CNC(=O)c1ccccc1[O-])c1ccco1 ZINC000436718477 297027922 /nfs/dbraw/zinc/02/79/22/297027922.db2.gz ZSFRIXWOGAPYHY-GXTWGEPZSA-N -1 3 302.374 2.844 20 0 DFADHM CCC1(CC)[C@@H](NC(=O)c2cccc(OC)c2[O-])C[C@@H]1OC ZINC000436726862 297028853 /nfs/dbraw/zinc/02/88/53/297028853.db2.gz WKYNZZGMVXKJOP-KBPBESRZSA-N -1 3 307.390 2.724 20 0 DFADHM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2cc(C)ccc2[O-])[nH]1 ZINC000436729383 297029351 /nfs/dbraw/zinc/02/93/51/297029351.db2.gz BAJPZPNRRHOSPT-GHMZBOCLSA-N -1 3 302.378 2.823 20 0 DFADHM CC[C@H](C[C@@H](C)CO)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436730465 297029385 /nfs/dbraw/zinc/02/93/85/297029385.db2.gz GWGDWVUDFVIVFL-IUODEOHRSA-N -1 3 305.418 2.798 20 0 DFADHM O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1ccc(O)cc1[O-] ZINC000436733398 297029632 /nfs/dbraw/zinc/02/96/32/297029632.db2.gz HNBMODVCWRMVGD-CQSZACIVSA-N -1 3 321.760 2.605 20 0 DFADHM Cc1ccc(C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC000436733589 297029661 /nfs/dbraw/zinc/02/96/61/297029661.db2.gz XHJSZEWFARCLAO-KRWDZBQOSA-N -1 3 324.424 2.700 20 0 DFADHM CCOC1CC(N(C)C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436742641 297030448 /nfs/dbraw/zinc/03/04/48/297030448.db2.gz FPKXJTWUYUFKPM-UHFFFAOYSA-N -1 3 303.402 2.911 20 0 DFADHM COc1ccc(C(=O)N[C@H]2c3ccc(F)cc3O[C@H]2C)c([O-])c1 ZINC000436745772 297030873 /nfs/dbraw/zinc/03/08/73/297030873.db2.gz VVSJZWPKHSEKTN-XXFAHNHDSA-N -1 3 317.316 2.792 20 0 DFADHM COCCN(C(=O)c1ccc([O-])c(OC)c1)[C@@H]1CCC[C@@H]1C ZINC000436744607 297030886 /nfs/dbraw/zinc/03/08/86/297030886.db2.gz NTSJHGUWCHBYML-GXTWGEPZSA-N -1 3 307.390 2.678 20 0 DFADHM Cc1ccc(C(=O)Nc2cccnc2-n2cccn2)c([O-])c1C ZINC000436761344 297032393 /nfs/dbraw/zinc/03/23/93/297032393.db2.gz YGSQAMZCJCMMHI-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H](C)CN1C ZINC000436773232 297033413 /nfs/dbraw/zinc/03/34/13/297033413.db2.gz QHSXXGFAUOZFOO-ZJUUUORDSA-N -1 3 316.323 2.576 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H](CO)C(C)C)c([O-])c1 ZINC000436782175 297033834 /nfs/dbraw/zinc/03/38/34/297033834.db2.gz HVCDBDYPQSISEX-CYBMUJFWSA-N -1 3 309.406 2.565 20 0 DFADHM CC[C@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCCO1 ZINC000436781089 297034080 /nfs/dbraw/zinc/03/40/80/297034080.db2.gz ICWNOZDIPYJVMQ-ZDUSSCGKSA-N -1 3 319.401 2.747 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccncc2)c1 ZINC000436788196 297034217 /nfs/dbraw/zinc/03/42/17/297034217.db2.gz VCPXHJWOMILLCG-NSHDSACASA-N -1 3 313.357 2.579 20 0 DFADHM CCc1cnccc1[C@@H](C)NC(=O)c1cccc(OC)c1[O-] ZINC000436794275 297034782 /nfs/dbraw/zinc/03/47/82/297034782.db2.gz UYPPPPGCXUQRNG-LLVKDONJSA-N -1 3 300.358 2.849 20 0 DFADHM C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H](C)C1 ZINC000436793661 297034863 /nfs/dbraw/zinc/03/48/63/297034863.db2.gz RWTODICIWIDIIQ-YWPYICTPSA-N -1 3 322.836 2.848 20 0 DFADHM CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000436794035 297035115 /nfs/dbraw/zinc/03/51/15/297035115.db2.gz UXEOBTQUEABKOW-RNCFNFMXSA-N -1 3 314.788 2.643 20 0 DFADHM CCN(CCNC(=O)c1ccc([O-])c(C)c1)CCC(F)(F)F ZINC000436805976 297035814 /nfs/dbraw/zinc/03/58/14/297035814.db2.gz FEFGZRNDMJDIQR-UHFFFAOYSA-N -1 3 318.339 2.705 20 0 DFADHM CCOc1ncccc1CNC(=O)c1ccc(CC)cc1[O-] ZINC000436804906 297035985 /nfs/dbraw/zinc/03/59/85/297035985.db2.gz BUUTUTHBQUFNTH-UHFFFAOYSA-N -1 3 300.358 2.678 20 0 DFADHM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1[O-] ZINC000436813802 297036576 /nfs/dbraw/zinc/03/65/76/297036576.db2.gz GECGBLANUGSHJS-AWEZNQCLSA-N -1 3 305.374 2.634 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@@H](CCO)c2ccco2)c([O-])c1 ZINC000436823760 297037488 /nfs/dbraw/zinc/03/74/88/297037488.db2.gz XAHMZJDWTVXCNI-AWEZNQCLSA-N -1 3 303.358 2.962 20 0 DFADHM CCc1ccc(C(=O)NCCn2cnc3ccccc32)c([O-])c1 ZINC000436822897 297036834 /nfs/dbraw/zinc/03/68/34/297036834.db2.gz XSSSMTRLFKMKSZ-UHFFFAOYSA-N -1 3 309.369 2.734 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc(Cn3cncn3)c2)c([O-])c1 ZINC000436819199 297036904 /nfs/dbraw/zinc/03/69/04/297036904.db2.gz XLRGTFVZYAPNGN-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc3c2oc(=O)n3C)c([O-])c1 ZINC000436828194 297038067 /nfs/dbraw/zinc/03/80/67/297038067.db2.gz HEQPZHNICCCKMH-UHFFFAOYSA-N -1 3 312.325 2.652 20 0 DFADHM CSc1cccc(F)c1CNC(=O)c1ccc(O)cc1[O-] ZINC000436828691 297038197 /nfs/dbraw/zinc/03/81/97/297038197.db2.gz QZZAYOCERJTYRV-UHFFFAOYSA-N -1 3 307.346 2.889 20 0 DFADHM CC1(C)CC[C@@H](CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)O1 ZINC000436841207 297039172 /nfs/dbraw/zinc/03/91/72/297039172.db2.gz SUCXPAAQUNEJBH-LBPRGKRZSA-N -1 3 319.401 2.793 20 0 DFADHM CCc1ccc(C(=O)N(C)[C@@H](CC(C)C)C(=O)OC)c([O-])c1 ZINC000436841504 297039288 /nfs/dbraw/zinc/03/92/88/297039288.db2.gz AWWIUHKWDOUBNX-AWEZNQCLSA-N -1 3 307.390 2.614 20 0 DFADHM O=C(N[C@H](CO)CC1CCC1)c1ccc2c(c1[O-])CCCC2 ZINC000436843412 297039597 /nfs/dbraw/zinc/03/95/97/297039597.db2.gz ZLDIXHDZBZGXJC-AWEZNQCLSA-N -1 3 303.402 2.552 20 0 DFADHM O=C(NC1(CCO)CCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436850202 297039627 /nfs/dbraw/zinc/03/96/27/297039627.db2.gz ZOSCBGOGXDUOGT-UHFFFAOYSA-N -1 3 303.402 2.696 20 0 DFADHM COc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cn2)c1[O-] ZINC000436843643 297039865 /nfs/dbraw/zinc/03/98/65/297039865.db2.gz JJOVEXYHQUFVEE-SECBINFHSA-N -1 3 306.749 2.940 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2COc3cccc(Cl)c32)c1[O-] ZINC000436857796 297040315 /nfs/dbraw/zinc/04/03/15/297040315.db2.gz XXOGWMXLQZUOCE-LLVKDONJSA-N -1 3 319.744 2.918 20 0 DFADHM Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc([O-])c(C)c1 ZINC000436902883 297043619 /nfs/dbraw/zinc/04/36/19/297043619.db2.gz KYOLZAVHWSGDLP-UHFFFAOYSA-N -1 3 312.369 2.686 20 0 DFADHM O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(O)cc1[O-] ZINC000436883353 297042290 /nfs/dbraw/zinc/04/22/90/297042290.db2.gz DQBMDEIOTSQJKM-CXAGYDPISA-N -1 3 313.353 2.605 20 0 DFADHM CC[C@@H](CNC(=O)c1ccccc1[O-])N1CCc2ccccc2C1 ZINC000436893629 297042436 /nfs/dbraw/zinc/04/24/36/297042436.db2.gz OJEGKXKYJPYOEK-KRWDZBQOSA-N -1 3 324.424 2.959 20 0 DFADHM COc1ccnc(CNC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000436895413 297042561 /nfs/dbraw/zinc/04/25/61/297042561.db2.gz IYOYQIWWKLGPIC-UHFFFAOYSA-N -1 3 312.369 2.605 20 0 DFADHM O=C(c1ccc([O-])cc1)N1CCN(CC23CCC(CC2)C3)CC1 ZINC000436889890 297042687 /nfs/dbraw/zinc/04/26/87/297042687.db2.gz BLPJZZWIYGFCNF-UHFFFAOYSA-N -1 3 314.429 2.730 20 0 DFADHM C[C@H](NC(=O)c1cc(F)ccc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000436896228 297043163 /nfs/dbraw/zinc/04/31/63/297043163.db2.gz XTEPYMNMOUKSFN-SJCJKPOMSA-N -1 3 316.376 2.953 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000436907681 297043948 /nfs/dbraw/zinc/04/39/48/297043948.db2.gz GPHDHXAAJFQFJA-OAHLLOKOSA-N -1 3 305.374 2.519 20 0 DFADHM O=C(N[C@@H](CO)c1ccsc1)c1cc2c(cc1[O-])CCCC2 ZINC000436917773 297044576 /nfs/dbraw/zinc/04/45/76/297044576.db2.gz YVDTZHFOAJZQAO-HNNXBMFYSA-N -1 3 317.410 2.796 20 0 DFADHM Cc1ccc(-c2nc(Cc3cccc(C(N)=O)c3)no2)c([O-])c1C ZINC000436918072 297044909 /nfs/dbraw/zinc/04/49/09/297044909.db2.gz GEJMOQHNZKCZFK-UHFFFAOYSA-N -1 3 323.352 2.749 20 0 DFADHM CC[C@H](NC(=O)c1ccc([O-])c(C)c1)c1c(C)nn(C)c1C ZINC000436935534 297046077 /nfs/dbraw/zinc/04/60/77/297046077.db2.gz CWXGQHUAHLVTIU-AWEZNQCLSA-N -1 3 301.390 2.932 20 0 DFADHM COc1cc(OC)c(OC)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436937822 297046533 /nfs/dbraw/zinc/04/65/33/297046533.db2.gz JIUOHWDEPLHXSU-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436940110 297046786 /nfs/dbraw/zinc/04/67/86/297046786.db2.gz UIXLGJRXZRGNCT-MRXNPFEDSA-N -1 3 313.353 2.687 20 0 DFADHM O=C(CNC(=O)c1ccc2c(c1[O-])CCCC2)Nc1ccccc1 ZINC000436947687 297046990 /nfs/dbraw/zinc/04/69/90/297046990.db2.gz HCPCPCLIRUIYES-UHFFFAOYSA-N -1 3 324.380 2.640 20 0 DFADHM COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436963500 297048145 /nfs/dbraw/zinc/04/81/45/297048145.db2.gz PUSBLQSXFYATGM-SWLSCSKDSA-N -1 3 319.401 2.929 20 0 DFADHM COc1cccc(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)c1[O-] ZINC000436982184 297049721 /nfs/dbraw/zinc/04/97/21/297049721.db2.gz TUYNGEPSBFACST-KZULUSFZSA-N -1 3 321.417 2.708 20 0 DFADHM O=C(N[C@H]1CCCC[C@H]1CO)c1ccc2c(c1[O-])CCCC2 ZINC000436977196 297049320 /nfs/dbraw/zinc/04/93/20/297049320.db2.gz QRPMCHGMKTWVEQ-BBRMVZONSA-N -1 3 303.402 2.552 20 0 DFADHM C[C@@]1(CO)CCC[C@H]1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436975216 297049375 /nfs/dbraw/zinc/04/93/75/297049375.db2.gz IGNUUWWTPARGIQ-QAPCUYQASA-N -1 3 303.402 2.552 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@H]2COCC[C@H]21 ZINC000436975621 297049387 /nfs/dbraw/zinc/04/93/87/297049387.db2.gz LSLDVQUEEAOMOF-WMLDXEAASA-N -1 3 315.413 2.912 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@H]2CCO)c([O-])c1 ZINC000436981398 297049946 /nfs/dbraw/zinc/04/99/46/297049946.db2.gz CPYHGRYANKOXOI-XJKSGUPXSA-N -1 3 321.417 2.852 20 0 DFADHM CCCCOc1ccc(C(=O)N(C)Cc2cc[nH]n2)c([O-])c1 ZINC000436986879 297050062 /nfs/dbraw/zinc/05/00/62/297050062.db2.gz IIULEQJFKLCGQY-UHFFFAOYSA-N -1 3 303.362 2.566 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@]2(C)CCCO2)c([O-])c1 ZINC000436988886 297050699 /nfs/dbraw/zinc/05/06/99/297050699.db2.gz PYMPYICPXAMEDB-KRWDZBQOSA-N -1 3 307.390 2.870 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](CO)CC(C)C)c([O-])c1 ZINC000436990636 297050878 /nfs/dbraw/zinc/05/08/78/297050878.db2.gz VHRJLYSDLDPVFQ-CYBMUJFWSA-N -1 3 309.406 2.708 20 0 DFADHM CCCCOc1ccc(C(=O)N(C)CCC(=O)OCC)c([O-])c1 ZINC000436992280 297050996 /nfs/dbraw/zinc/05/09/96/297050996.db2.gz WDFWYXSQWLLGTD-UHFFFAOYSA-N -1 3 323.389 2.596 20 0 DFADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc2c(c1[O-])CCCC2 ZINC000436996974 297051877 /nfs/dbraw/zinc/05/18/77/297051877.db2.gz HRSCSARPAJCUED-UHFFFAOYSA-N -1 3 322.364 2.767 20 0 DFADHM CCO[N-]C(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC000494141220 299859491 /nfs/dbraw/zinc/85/94/91/299859491.db2.gz IEILCRBNFPNBSW-XHDPSFHLSA-N -1 3 300.399 2.528 20 0 DFADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ncon1 ZINC000154453097 295300853 /nfs/dbraw/zinc/30/08/53/295300853.db2.gz YCEUHBKZTPSXJD-GFCCVEGCSA-N -1 3 323.352 2.857 20 0 DFADHM COc1ccccc1CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000155373537 295317868 /nfs/dbraw/zinc/31/78/68/295317868.db2.gz RCPXMGJPIMMISD-UHFFFAOYSA-N -1 3 318.348 2.582 20 0 DFADHM CS(=O)(=O)c1csc(C(=O)[N-]c2cc(F)ccc2F)c1 ZINC000155429074 295318787 /nfs/dbraw/zinc/31/87/87/295318787.db2.gz ZJDGBMMRGRYYOC-UHFFFAOYSA-N -1 3 317.338 2.682 20 0 DFADHM O=S(=O)([N-]CCCF)c1ccc(C(F)(F)F)cc1Cl ZINC000156190927 295332356 /nfs/dbraw/zinc/33/23/56/295332356.db2.gz QBAUGQSFAFDYLR-UHFFFAOYSA-N -1 3 319.707 2.997 20 0 DFADHM COc1cc(C(=O)[N-]c2ccn(-c3ccccc3Cl)n2)on1 ZINC000156646138 295339398 /nfs/dbraw/zinc/33/93/98/295339398.db2.gz ANOYNUXXUWFANV-UHFFFAOYSA-N -1 3 318.720 2.775 20 0 DFADHM CC(=O)c1csc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c1 ZINC000157204291 295345825 /nfs/dbraw/zinc/34/58/25/295345825.db2.gz MANQVXPFMKNFHJ-UHFFFAOYSA-N -1 3 320.761 2.899 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCCO1 ZINC000157901885 295355245 /nfs/dbraw/zinc/35/52/45/295355245.db2.gz CKVFKFXZSAAIPT-RKDXNWHRSA-N -1 3 309.840 2.637 20 0 DFADHM CCCCn1ncc(NC(=O)[N-]c2nnc3ccccn32)c1C ZINC000157911395 295355488 /nfs/dbraw/zinc/35/54/88/295355488.db2.gz JCYCIMFQJRSOBB-UHFFFAOYSA-N -1 3 313.365 2.678 20 0 DFADHM CC(C)c1cc(C(=O)[N-]c2nncn2Cc2ccccc2)no1 ZINC000158048771 295357313 /nfs/dbraw/zinc/35/73/13/295357313.db2.gz GCDYZBXVUYNXOK-UHFFFAOYSA-N -1 3 311.345 2.690 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)ccc1F ZINC000158893876 295369009 /nfs/dbraw/zinc/36/90/09/295369009.db2.gz PLLYYDDPOYWIMB-UHFFFAOYSA-N -1 3 313.325 2.566 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1ccncc1Br ZINC000159874848 295382977 /nfs/dbraw/zinc/38/29/77/295382977.db2.gz AOUHDOUNIPEALK-UHFFFAOYSA-N -1 3 311.110 2.941 20 0 DFADHM Cc1nc(C)c(CC(=O)N2CCC(CCC(C)C)CC2)c(=O)[n-]1 ZINC000162492106 295414144 /nfs/dbraw/zinc/41/41/44/295414144.db2.gz OPWFCAUPRVZZDA-UHFFFAOYSA-N -1 3 319.449 2.604 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)C(C)(F)F ZINC000410621954 295511145 /nfs/dbraw/zinc/51/11/45/295511145.db2.gz HACKBIMQIWAMSK-ZETCQYMHSA-N -1 3 304.293 2.644 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1ncoc1C1CC1 ZINC000410620699 295511317 /nfs/dbraw/zinc/51/13/17/295511317.db2.gz FGJSNQVALSBCBP-UHFFFAOYSA-N -1 3 319.317 2.531 20 0 DFADHM CCC(CC)(CCO)CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412195227 295599297 /nfs/dbraw/zinc/59/92/97/295599297.db2.gz RECRFMNDMUZWQD-UHFFFAOYSA-N -1 3 307.390 2.513 20 0 DFADHM C[C@H](CCCc1cccnc1)NC(=O)c1c([O-])cccc1O ZINC000412418589 295621412 /nfs/dbraw/zinc/62/14/12/295621412.db2.gz OWAILKGVTAXZKP-GFCCVEGCSA-N -1 3 300.358 2.634 20 0 DFADHM COc1cc(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)cc(OC)c1[O-] ZINC000412478500 295627907 /nfs/dbraw/zinc/62/79/07/295627907.db2.gz QHYBDRGBANIKGU-GXTWGEPZSA-N -1 3 319.401 2.966 20 0 DFADHM CC(C)[C@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1cccnc1 ZINC000438240058 297085518 /nfs/dbraw/zinc/08/55/18/297085518.db2.gz NYHRUHMWUYMERU-AWEZNQCLSA-N -1 3 322.372 2.640 20 0 DFADHM CC(C)[C@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1cccnc1 ZINC000438240058 297085519 /nfs/dbraw/zinc/08/55/19/297085519.db2.gz NYHRUHMWUYMERU-AWEZNQCLSA-N -1 3 322.372 2.640 20 0 DFADHM CC(C)[C@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1cccnc1 ZINC000438240058 297085522 /nfs/dbraw/zinc/08/55/22/297085522.db2.gz NYHRUHMWUYMERU-AWEZNQCLSA-N -1 3 322.372 2.640 20 0 DFADHM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])cc1F ZINC000495622625 299948756 /nfs/dbraw/zinc/94/87/56/299948756.db2.gz MDBIFINKSHMAGF-VIFPVBQESA-N -1 3 312.341 2.631 20 0 DFADHM CCC[C@@]1(C)C(=O)NCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000438589089 297100428 /nfs/dbraw/zinc/10/04/28/297100428.db2.gz NMPRALDBJRQUJI-SFHVURJKSA-N -1 3 318.417 2.646 20 0 DFADHM Cc1cc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)[n-]c(=O)n1 ZINC000438669820 297102040 /nfs/dbraw/zinc/10/20/40/297102040.db2.gz BIBIQLQVDNOFHP-GJZGRUSLSA-N -1 3 311.385 2.632 20 0 DFADHM COC[C@@H](C)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000439053963 297113254 /nfs/dbraw/zinc/11/32/54/297113254.db2.gz GBMBATFQRDEXDJ-AWEZNQCLSA-N -1 3 313.397 2.995 20 0 DFADHM CO[C@H](CNC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000439062816 297113575 /nfs/dbraw/zinc/11/35/75/297113575.db2.gz YPZMEFIXPSWZQF-OAHLLOKOSA-N -1 3 321.760 2.869 20 0 DFADHM CCN(Cc1ccccn1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000439065256 297113765 /nfs/dbraw/zinc/11/37/65/297113765.db2.gz JGDVJZFRXBJIIM-UHFFFAOYSA-N -1 3 307.353 2.585 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)c3ccc4c(n3)CCCC4)[n-]2)o1 ZINC000442652905 297198942 /nfs/dbraw/zinc/19/89/42/297198942.db2.gz QINSSWQKCZOTPB-UHFFFAOYSA-N -1 3 323.356 2.899 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc4c(n3)CCCC4)n2)o1 ZINC000442652905 297198943 /nfs/dbraw/zinc/19/89/43/297198943.db2.gz QINSSWQKCZOTPB-UHFFFAOYSA-N -1 3 323.356 2.899 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)c3ccc4c(n3)CCCC4)n[n-]2)o1 ZINC000442652905 297198945 /nfs/dbraw/zinc/19/89/45/297198945.db2.gz QINSSWQKCZOTPB-UHFFFAOYSA-N -1 3 323.356 2.899 20 0 DFADHM COc1ccc(NC(=O)CSC[C@H]2CCCCO2)c([O-])c1 ZINC000442707817 297202111 /nfs/dbraw/zinc/20/21/11/297202111.db2.gz XDVSJEZNHOIBNR-GFCCVEGCSA-N -1 3 311.403 2.642 20 0 DFADHM C[C@@](O)(CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C1CC1 ZINC000442792560 297206145 /nfs/dbraw/zinc/20/61/45/297206145.db2.gz MRQAZSZWMPVVAV-CYBMUJFWSA-N -1 3 319.279 2.780 20 0 DFADHM COc1cc(C(=O)N2CCc3ccc(F)cc3C2)ccc1[O-] ZINC000442807289 297207894 /nfs/dbraw/zinc/20/78/94/297207894.db2.gz FBQPRCACSXJXOX-UHFFFAOYSA-N -1 3 301.317 2.738 20 0 DFADHM Cn1ncc2c1ncc(C(=O)Nc1ccc3ccoc3c1)c2[O-] ZINC000442922698 297211077 /nfs/dbraw/zinc/21/10/77/297211077.db2.gz LKNPAMZNEUQBDE-UHFFFAOYSA-N -1 3 308.297 2.672 20 0 DFADHM CC(C)C[C@@H]([N-]S(=O)(=O)CC(C)(C)C)C(=O)OC(C)(C)C ZINC000443010761 297213320 /nfs/dbraw/zinc/21/33/20/297213320.db2.gz OLHJKYILPKDHHI-GFCCVEGCSA-N -1 3 321.483 2.708 20 0 DFADHM CC1(C)CCC[C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000443147445 297216643 /nfs/dbraw/zinc/21/66/43/297216643.db2.gz PCZAPLJPIMTLFQ-NSHDSACASA-N -1 3 315.373 2.661 20 0 DFADHM CC(C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000443222898 297218015 /nfs/dbraw/zinc/21/80/15/297218015.db2.gz YUBGCLQDLJIBFC-UHFFFAOYSA-N -1 3 313.806 2.542 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)c3ccccc32)c1 ZINC000443805265 297226533 /nfs/dbraw/zinc/22/65/33/297226533.db2.gz TYSIPIQBPVPERP-IUODEOHRSA-N -1 3 319.430 2.820 20 0 DFADHM CN(C)c1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccn1 ZINC000444096579 297230311 /nfs/dbraw/zinc/23/03/11/297230311.db2.gz KOZYFLJPVPHYTD-UHFFFAOYSA-N -1 3 313.386 2.852 20 0 DFADHM CN(C)c1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccn1 ZINC000444096579 297230312 /nfs/dbraw/zinc/23/03/12/297230312.db2.gz KOZYFLJPVPHYTD-UHFFFAOYSA-N -1 3 313.386 2.852 20 0 DFADHM C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])CCN1C ZINC000153819363 297258329 /nfs/dbraw/zinc/25/83/29/297258329.db2.gz KEISBENFSPIRQW-KOLCDFICSA-N -1 3 314.788 2.739 20 0 DFADHM O=c1[nH]c2ccc(-c3noc(C=Cc4cncc([O-])c4)n3)cc2[nH]1 ZINC000445229460 297260620 /nfs/dbraw/zinc/26/06/20/297260620.db2.gz SYVSZFQMTQOHRE-RJRFIUFISA-N -1 3 321.296 2.590 20 0 DFADHM Cn1cnc2cc(-c3noc(/C=C\c4cncc([O-])c4)n3)ccc21 ZINC000445230549 297261101 /nfs/dbraw/zinc/26/11/01/297261101.db2.gz KCKVTTLBAIKETJ-DJWKRKHSSA-N -1 3 319.324 2.894 20 0 DFADHM CSc1nnc(-c2noc(-c3cccc(C)c3[O-])n2)s1 ZINC000445608354 297263644 /nfs/dbraw/zinc/26/36/44/297263644.db2.gz NUONLSUCSLWSKP-UHFFFAOYSA-N -1 3 306.372 2.991 20 0 DFADHM CSc1nnc(-c2noc(-c3ccc(C)cc3[O-])n2)s1 ZINC000445610613 297263910 /nfs/dbraw/zinc/26/39/10/297263910.db2.gz PIVKJJQUJYIRKP-UHFFFAOYSA-N -1 3 306.372 2.991 20 0 DFADHM Cc1sc(C[N-]S(=O)(=O)c2ccco2)nc1C(C)C ZINC000445713468 297265582 /nfs/dbraw/zinc/26/55/82/297265582.db2.gz FOWQJWWRYCMTLL-UHFFFAOYSA-N -1 3 300.405 2.646 20 0 DFADHM O=S(=O)([N-]Cc1csc(Br)c1)c1ccco1 ZINC000445756900 297265969 /nfs/dbraw/zinc/26/59/69/297265969.db2.gz MAJGPJDMVSTCNZ-UHFFFAOYSA-N -1 3 322.205 2.582 20 0 DFADHM Cc1ccc(C(=O)NCc2ccc(OC(F)F)cn2)c([O-])c1C ZINC000447180582 297297218 /nfs/dbraw/zinc/29/72/18/297297218.db2.gz AEGIGEMRVGQFHS-UHFFFAOYSA-N -1 3 322.311 2.935 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCc3ccc(F)c(F)c3C2)n1 ZINC000447852892 297321326 /nfs/dbraw/zinc/32/13/26/297321326.db2.gz CDANWCXQLIMUES-SNVBAGLBSA-N -1 3 305.328 2.888 20 0 DFADHM CCOC(=O)CC1(NC(=O)c2ccc(C)cc2[O-])CCCC1 ZINC000447859646 297321789 /nfs/dbraw/zinc/32/17/89/297321789.db2.gz XZPNJOYOBDZVCD-UHFFFAOYSA-N -1 3 305.374 2.696 20 0 DFADHM COc1ccc(CCCNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448758424 297364416 /nfs/dbraw/zinc/36/44/16/297364416.db2.gz DHSWPDBVPNVKQI-UHFFFAOYSA-N -1 3 317.360 2.831 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000448836040 297374263 /nfs/dbraw/zinc/37/42/63/297374263.db2.gz OEKWPXPLRFPJCR-ZDUSSCGKSA-N -1 3 303.337 2.551 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)NCc1nc2c(s1)CCCC2 ZINC000448871631 297377563 /nfs/dbraw/zinc/37/75/63/297377563.db2.gz FVVYSTTZZMMHHQ-UHFFFAOYSA-N -1 3 320.389 2.726 20 0 DFADHM CCc1ncc(CNCc2cc([O-])ccc2Br)o1 ZINC000449608762 297499178 /nfs/dbraw/zinc/49/91/78/297499178.db2.gz JXJHUFGSPPHBRC-UHFFFAOYSA-N -1 3 311.179 2.995 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000449892223 297554574 /nfs/dbraw/zinc/55/45/74/297554574.db2.gz NPCFFLXTABCETN-AWEZNQCLSA-N -1 3 303.337 2.551 20 0 DFADHM C[C@@H](COCc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449972892 297568602 /nfs/dbraw/zinc/56/86/02/297568602.db2.gz GSUNCIQPPNLYNX-ZDUSSCGKSA-N -1 3 317.360 2.795 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000450002028 297573739 /nfs/dbraw/zinc/57/37/39/297573739.db2.gz AXADDPGGDIFROG-IYBDPMFKSA-N -1 3 311.381 2.868 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CC)[C@@H](O)CC)nc2)n1 ZINC000450853245 297700480 /nfs/dbraw/zinc/70/04/80/297700480.db2.gz AWAMGDYBQWUXCC-KBPBESRZSA-N -1 3 316.405 2.768 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CC)[C@@H](O)CC)nc2)n1 ZINC000450853246 297700592 /nfs/dbraw/zinc/70/05/92/297700592.db2.gz AWAMGDYBQWUXCC-KGLIPLIRSA-N -1 3 316.405 2.768 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1c(C)ccc2cccnc21)C(F)F ZINC000451085393 297745219 /nfs/dbraw/zinc/74/52/19/297745219.db2.gz RGGYTTYKWUDXSJ-NSHDSACASA-N -1 3 314.357 2.865 20 0 DFADHM COC[C@H](C)C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451124638 297752876 /nfs/dbraw/zinc/75/28/76/297752876.db2.gz YBAWLFMXYGNWRE-LLVKDONJSA-N -1 3 311.378 2.540 20 0 DFADHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]CC1(C(F)(F)F)CC1 ZINC000451531060 297825949 /nfs/dbraw/zinc/82/59/49/297825949.db2.gz HVNLGYQBIMRLDY-MRVPVSSYSA-N -1 3 321.311 2.684 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2c(F)cncc2F)c1 ZINC000451549268 297832370 /nfs/dbraw/zinc/83/23/70/297832370.db2.gz SSCQGGORFCIFFI-MRVPVSSYSA-N -1 3 318.370 2.769 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000451819005 297880501 /nfs/dbraw/zinc/88/05/01/297880501.db2.gz RVPVNBRDRSPRFN-STQMWFEESA-N -1 3 317.476 2.786 20 0 DFADHM COC[C@]1(C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000452370863 297965066 /nfs/dbraw/zinc/96/50/66/297965066.db2.gz GVGYKLWLVWCBBV-QGZVFWFLSA-N -1 3 309.381 2.739 20 0 DFADHM Cc1cc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccn1 ZINC000452417369 297972427 /nfs/dbraw/zinc/97/24/27/297972427.db2.gz DLTBZZKSTFHPCJ-UHFFFAOYSA-N -1 3 312.369 2.739 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C)c([O-])c1 ZINC000452735836 298015833 /nfs/dbraw/zinc/01/58/33/298015833.db2.gz YEYHEMWNIMYZOT-SWLSCSKDSA-N -1 3 307.390 2.557 20 0 DFADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCO[C@@H]1C ZINC000452756573 298019670 /nfs/dbraw/zinc/01/96/70/298019670.db2.gz ONUPKPUUCFQDMC-BDAKNGLRSA-N -1 3 314.179 2.827 20 0 DFADHM O=C(NC[C@@H]1CC12CCOCC2)c1cc2c(cc1[O-])CCCC2 ZINC000452758800 298020002 /nfs/dbraw/zinc/02/00/02/298020002.db2.gz SAEJCNAUNHVMNC-HNNXBMFYSA-N -1 3 315.413 2.818 20 0 DFADHM CCc1cc(C(=O)NC[C@H](Cc2ccccc2)OC)ccc1[O-] ZINC000452819028 298029591 /nfs/dbraw/zinc/02/95/91/298029591.db2.gz OEZWSMSGBDSNCE-KRWDZBQOSA-N -1 3 313.397 2.942 20 0 DFADHM CCO[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C[C@@H]1C ZINC000452844867 298034208 /nfs/dbraw/zinc/03/42/08/298034208.db2.gz WDLFJARFCBGMSY-NHYWBVRUSA-N -1 3 311.809 2.862 20 0 DFADHM CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])[C@@H](O)C(F)F ZINC000452943016 298045138 /nfs/dbraw/zinc/04/51/38/298045138.db2.gz RIXSIIPQTLUPBU-DGCLKSJQSA-N -1 3 301.333 2.650 20 0 DFADHM CC(C)=CCC[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000454285316 298149100 /nfs/dbraw/zinc/14/91/00/298149100.db2.gz FSSAFQQYDNIAIR-NSHDSACASA-N -1 3 315.373 2.827 20 0 DFADHM C[C@H](F)CCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000455038779 298287827 /nfs/dbraw/zinc/28/78/27/298287827.db2.gz JHJOQVIGCCTBSX-QMMMGPOBSA-N -1 3 319.174 2.702 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)COCC2CCCC2)c([O-])c1 ZINC000456009745 298439880 /nfs/dbraw/zinc/43/98/80/298439880.db2.gz VBJGIQIYLYNMTM-UHFFFAOYSA-N -1 3 321.373 2.714 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC[C@@]3(CCSC3)C2)c1 ZINC000456885476 298597898 /nfs/dbraw/zinc/59/78/98/298597898.db2.gz XUYSBHRZKXZIIP-MRXNPFEDSA-N -1 3 307.415 2.760 20 0 DFADHM COc1cccc(C(=O)N[C@H](C)CCCc2cccnc2)c1[O-] ZINC000457916665 298824832 /nfs/dbraw/zinc/82/48/32/298824832.db2.gz UUWLJCOYYWFGGM-CYBMUJFWSA-N -1 3 314.385 2.937 20 0 DFADHM CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N-]C(=O)C(F)(F)F)C1 ZINC000495889647 299989232 /nfs/dbraw/zinc/98/92/32/299989232.db2.gz DRDJLRSIBOIPEA-ZDUSSCGKSA-N -1 3 324.343 2.702 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OCc2ccccc2)cc1[O-] ZINC000496139914 300021088 /nfs/dbraw/zinc/02/10/88/300021088.db2.gz UHCRBCNGGJPJNJ-UHFFFAOYSA-N -1 3 301.298 2.928 20 0 DFADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc2c(c1)OCCCCO2 ZINC000263029054 300054758 /nfs/dbraw/zinc/05/47/58/300054758.db2.gz GUYMJMOBLDXIHC-ZFWWWQNUSA-N -1 3 319.401 2.923 20 0 DFADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ncccc2[O-])C1 ZINC000496511137 300073283 /nfs/dbraw/zinc/07/32/83/300073283.db2.gz GMAJDKKVJPRBEW-QWHCGFSZSA-N -1 3 321.421 2.522 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OCc2nc(C)cs2)cc1[O-] ZINC000496601562 300086355 /nfs/dbraw/zinc/08/63/55/300086355.db2.gz XYTVTXRZJFDIRJ-UHFFFAOYSA-N -1 3 322.342 2.692 20 0 DFADHM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ncccc1[O-] ZINC000496691628 300099535 /nfs/dbraw/zinc/09/95/35/300099535.db2.gz OWRGZEXGRARRPS-ZDUSSCGKSA-N -1 3 321.421 2.666 20 0 DFADHM COC(=O)Nc1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000496912898 300131860 /nfs/dbraw/zinc/13/18/60/300131860.db2.gz WXDASUPOMBKAOR-UHFFFAOYSA-N -1 3 314.345 2.850 20 0 DFADHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)[N-]OC2CCC2)CC1 ZINC000497241324 300181343 /nfs/dbraw/zinc/18/13/43/300181343.db2.gz BXNQPWLIMYXFFJ-ZDUSSCGKSA-N -1 3 324.421 2.624 20 0 DFADHM CC(C)OC(=O)NCc1ccc(NC([O-])=NOC2CCC2)cc1 ZINC000497310222 300189009 /nfs/dbraw/zinc/18/90/09/300189009.db2.gz CIWNLSOBYLOJRU-UHFFFAOYSA-N -1 3 321.377 2.927 20 0 DFADHM CC(C)OC(=O)NCc1ccc(NC(=O)[N-]OC2CCC2)cc1 ZINC000497310222 300189012 /nfs/dbraw/zinc/18/90/12/300189012.db2.gz CIWNLSOBYLOJRU-UHFFFAOYSA-N -1 3 321.377 2.927 20 0 DFADHM COC(=O)C1([N-]S(=O)(=O)CCC(C)(C)C)CCCCCC1 ZINC000500366171 300206955 /nfs/dbraw/zinc/20/69/55/300206955.db2.gz XDGHCLKZMYXXLA-UHFFFAOYSA-N -1 3 319.467 2.608 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000500413387 300207590 /nfs/dbraw/zinc/20/75/90/300207590.db2.gz HAQHTTYXKRMHTR-KRWDZBQOSA-N -1 3 312.413 2.987 20 0 DFADHM CCC[C@@]1([N-]S(=O)(=O)c2cc(C)c(Cl)s2)CCOC1 ZINC000510517691 300246794 /nfs/dbraw/zinc/24/67/94/300246794.db2.gz LATGDRKOUFHYKN-GFCCVEGCSA-N -1 3 323.867 2.947 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H](c1cccnc1)C1CC1 ZINC000514653410 300263729 /nfs/dbraw/zinc/26/37/29/300263729.db2.gz OFLYFGDVJVRKOK-QGZVFWFLSA-N -1 3 300.333 2.736 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)CSC(C)C)n[n-]1 ZINC000515195721 300294714 /nfs/dbraw/zinc/29/47/14/300294714.db2.gz URKJGVUSOXXUEO-UHFFFAOYSA-N -1 3 306.391 2.560 20 0 DFADHM C[C@@H]1CCN(Cc2cccc(OC(C)(C)C)n2)[C@H](C(=O)[O-])C1 ZINC000515236547 300296865 /nfs/dbraw/zinc/29/68/65/300296865.db2.gz UCECUQZRGKIVBO-OCCSQVGLSA-N -1 3 306.406 2.944 20 0 DFADHM O=C([O-])c1cnn(C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000515491970 300310083 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/nfs/dbraw/zinc/88/20/47/545882047.db2.gz DPZVMHQLXPDPHA-UHFFFAOYSA-N -1 3 311.381 2.901 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000682803742 545917440 /nfs/dbraw/zinc/91/74/40/545917440.db2.gz CMQASHQENHUEJL-CHWSQXEVSA-N -1 3 307.390 2.604 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2cc(C)n[nH]2)c([O-])c1 ZINC000682807142 545918403 /nfs/dbraw/zinc/91/84/03/545918403.db2.gz RIRKJLPIBZDXEW-UHFFFAOYSA-N -1 3 303.362 2.533 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2cc(C)[nH]n2)c([O-])c1 ZINC000682807142 545918404 /nfs/dbraw/zinc/91/84/04/545918404.db2.gz RIRKJLPIBZDXEW-UHFFFAOYSA-N -1 3 303.362 2.533 20 0 DFADHM CC[C@@]1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCOC1 ZINC000682938245 545944288 /nfs/dbraw/zinc/94/42/88/545944288.db2.gz UKFCCPBFACCHRB-GFCCVEGCSA-N -1 3 324.229 2.841 20 0 DFADHM CCc1c(NC(=O)NCc2ncccc2[O-])cnn1CC(C)C ZINC000684234659 546179279 /nfs/dbraw/zinc/17/92/79/546179279.db2.gz ZTZSTEMLODIZAN-UHFFFAOYSA-N -1 3 317.393 2.524 20 0 DFADHM C[C@H](C[C@H]1CCOC1)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000684458978 546223444 /nfs/dbraw/zinc/22/34/44/546223444.db2.gz LKPIBVQQSPPBIV-NXEZZACHSA-N -1 3 317.307 2.956 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(OC)c1)c1nccs1 ZINC000684574938 546246251 /nfs/dbraw/zinc/24/62/51/546246251.db2.gz DLPOYCNTWHZOAL-GFCCVEGCSA-N -1 3 312.416 2.581 20 0 DFADHM CC(C)([N-]S(=O)(=O)Cc1cccc2cccnc21)C(F)F ZINC000684598400 546249964 /nfs/dbraw/zinc/24/99/64/546249964.db2.gz WYABEVFLQOLOBS-UHFFFAOYSA-N -1 3 314.357 2.698 20 0 DFADHM CC[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCOC1 ZINC000684661290 546258792 /nfs/dbraw/zinc/25/87/92/546258792.db2.gz VHHYZONAZHKEBM-LBPRGKRZSA-N -1 3 324.229 2.841 20 0 DFADHM O=C(Nc1ncc(Cl)s1)c1n[n-]nc1-c1ccccc1 ZINC000684739252 546271952 /nfs/dbraw/zinc/27/19/52/546271952.db2.gz BUHRODAXOSCOHD-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c[nH]1 ZINC000684764656 546275963 /nfs/dbraw/zinc/27/59/63/546275963.db2.gz WCXMFGABFJUHQC-HDJSIYSDSA-N -1 3 319.430 2.758 20 0 DFADHM CC1(CS(=O)(=O)[N-]Cc2nc3ccccc3s2)CCC1 ZINC000684840690 546289449 /nfs/dbraw/zinc/28/94/49/546289449.db2.gz KMAKMGNBXAMQEI-UHFFFAOYSA-N -1 3 310.444 2.906 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(F)c(-c3nnc[nH]3)c2)c1[O-] ZINC000684843062 546290160 /nfs/dbraw/zinc/29/01/60/546290160.db2.gz FENHNYFHJDDTIU-UHFFFAOYSA-N -1 3 312.304 2.877 20 0 DFADHM CCOc1cccc(NC(=O)c2[n-]nc3c2cccc3OC)n1 ZINC000685192889 546328961 /nfs/dbraw/zinc/32/89/61/546328961.db2.gz SXQWFJFDBYSTDT-UHFFFAOYSA-N -1 3 312.329 2.618 20 0 DFADHM CCOc1cccc(NC(=O)c2n[n-]c3c2cccc3OC)n1 ZINC000685192889 546328964 /nfs/dbraw/zinc/32/89/64/546328964.db2.gz SXQWFJFDBYSTDT-UHFFFAOYSA-N -1 3 312.329 2.618 20 0 DFADHM COc1ccc(C(=O)N2CCCC[C@@H]2c2cncn2C)c([O-])c1 ZINC000685302047 546339329 /nfs/dbraw/zinc/33/93/29/546339329.db2.gz VMIYUJQXNJBFHJ-CQSZACIVSA-N -1 3 315.373 2.502 20 0 DFADHM COc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(OC)n1 ZINC000685657729 546382407 /nfs/dbraw/zinc/38/24/07/546382407.db2.gz DKCDGJSTPIBYHZ-UHFFFAOYSA-N -1 3 308.721 2.710 20 0 DFADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000685758107 546388265 /nfs/dbraw/zinc/38/82/65/546388265.db2.gz FCFUVEALSUVKII-APWZRJJASA-N -1 3 318.380 2.932 20 0 DFADHM Cc1ccncc1[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000685812228 546392943 /nfs/dbraw/zinc/39/29/43/546392943.db2.gz GVDYFMJBVOVPID-GFCCVEGCSA-N -1 3 307.357 2.666 20 0 DFADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nc(C(C)C)no1 ZINC000822135801 599386976 /nfs/dbraw/zinc/38/69/76/599386976.db2.gz FDSJHQBYRYWQSC-UHFFFAOYSA-N -1 3 314.349 2.569 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1coc2ccccc12 ZINC000738231552 598849459 /nfs/dbraw/zinc/84/94/59/598849459.db2.gz CAFWXNUZMPTGEZ-UHFFFAOYSA-N -1 3 320.308 2.970 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1coc2ccccc12 ZINC000738231552 598849460 /nfs/dbraw/zinc/84/94/60/598849460.db2.gz CAFWXNUZMPTGEZ-UHFFFAOYSA-N -1 3 320.308 2.970 20 0 DFADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000736103075 598865436 /nfs/dbraw/zinc/86/54/36/598865436.db2.gz VYOUIBCSLCMKFQ-WEHUKYGOSA-N -1 3 311.389 2.575 20 0 DFADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000736103075 598865438 /nfs/dbraw/zinc/86/54/38/598865438.db2.gz VYOUIBCSLCMKFQ-WEHUKYGOSA-N -1 3 311.389 2.575 20 0 DFADHM CCOC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736611494 598870058 /nfs/dbraw/zinc/87/00/58/598870058.db2.gz PVPMHNPJBKOQDP-NSHDSACASA-N -1 3 321.812 2.773 20 0 DFADHM CCOC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736611494 598870059 /nfs/dbraw/zinc/87/00/59/598870059.db2.gz PVPMHNPJBKOQDP-NSHDSACASA-N -1 3 321.812 2.773 20 0 DFADHM COC(=O)[C@@H](Nc1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894894 598878415 /nfs/dbraw/zinc/87/84/15/598878415.db2.gz DJXRBRNSUXPHHE-HNNXBMFYSA-N -1 3 323.356 2.501 20 0 DFADHM COC(=O)[C@@H](Nc1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894894 598878416 /nfs/dbraw/zinc/87/84/16/598878416.db2.gz DJXRBRNSUXPHHE-HNNXBMFYSA-N -1 3 323.356 2.501 20 0 DFADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1sccc1-c1nnn[n-]1 ZINC000736261600 598907544 /nfs/dbraw/zinc/90/75/44/598907544.db2.gz KVVAKCVQBIFTHU-WDEREUQCSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1sccc1-c1nn[n-]n1 ZINC000736261600 598907549 /nfs/dbraw/zinc/90/75/49/598907549.db2.gz KVVAKCVQBIFTHU-WDEREUQCSA-N -1 3 319.434 2.874 20 0 DFADHM CN(c1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCc2ccccc2C1 ZINC000736842700 598914179 /nfs/dbraw/zinc/91/41/79/598914179.db2.gz UREWRKFSDGSBNR-CQSZACIVSA-N -1 3 323.375 3.000 20 0 DFADHM CN(c1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCc2ccccc2C1 ZINC000736842700 598914180 /nfs/dbraw/zinc/91/41/80/598914180.db2.gz UREWRKFSDGSBNR-CQSZACIVSA-N -1 3 323.375 3.000 20 0 DFADHM CC(C)c1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)on1 ZINC000735921977 598914788 /nfs/dbraw/zinc/91/47/88/598914788.db2.gz CISIRYGNELMWFR-UHFFFAOYSA-N -1 3 319.756 2.639 20 0 DFADHM CC(C)c1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)on1 ZINC000735921977 598914790 /nfs/dbraw/zinc/91/47/90/598914790.db2.gz CISIRYGNELMWFR-UHFFFAOYSA-N -1 3 319.756 2.639 20 0 DFADHM C[C@@H]1CCCCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736266209 598922879 /nfs/dbraw/zinc/92/28/79/598922879.db2.gz HCMSCSIJMYOVIH-SNVBAGLBSA-N -1 3 318.356 2.802 20 0 DFADHM C[C@@H]1CCCCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736266209 598922881 /nfs/dbraw/zinc/92/28/81/598922881.db2.gz HCMSCSIJMYOVIH-SNVBAGLBSA-N -1 3 318.356 2.802 20 0 DFADHM CC(C)[C@@H]1CCCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000735747359 598928868 /nfs/dbraw/zinc/92/88/68/598928868.db2.gz COKOWOJNPFXOBG-LLVKDONJSA-N -1 3 319.434 2.827 20 0 DFADHM CC(C)[C@@H]1CCCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000735747359 598928870 /nfs/dbraw/zinc/92/88/70/598928870.db2.gz COKOWOJNPFXOBG-LLVKDONJSA-N -1 3 319.434 2.827 20 0 DFADHM O=Cc1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000738312719 598935246 /nfs/dbraw/zinc/93/52/46/598935246.db2.gz CPQOLURZCWYVRM-UHFFFAOYSA-N -1 3 301.693 2.520 20 0 DFADHM O=Cc1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000738312719 598935248 /nfs/dbraw/zinc/93/52/48/598935248.db2.gz CPQOLURZCWYVRM-UHFFFAOYSA-N -1 3 301.693 2.520 20 0 DFADHM C[C@@H]1Cc2ccccc2N1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736295913 598935373 /nfs/dbraw/zinc/93/53/73/598935373.db2.gz BQYBLMVFYQSCAS-SECBINFHSA-N -1 3 312.764 2.998 20 0 DFADHM C[C@@H]1Cc2ccccc2N1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736295913 598935375 /nfs/dbraw/zinc/93/53/75/598935375.db2.gz BQYBLMVFYQSCAS-SECBINFHSA-N -1 3 312.764 2.998 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NCCC(F)(F)F ZINC000736633624 598979292 /nfs/dbraw/zinc/97/92/92/598979292.db2.gz CNKKYCRKBLEIHH-UHFFFAOYSA-N -1 3 301.272 2.630 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NCCC(F)(F)F ZINC000736633624 598979294 /nfs/dbraw/zinc/97/92/94/598979294.db2.gz CNKKYCRKBLEIHH-UHFFFAOYSA-N -1 3 301.272 2.630 20 0 DFADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000736007791 599007030 /nfs/dbraw/zinc/00/70/30/599007030.db2.gz DXBZBCZBKQPWDT-ZWLSGLHFSA-N -1 3 313.405 2.678 20 0 DFADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000736007791 599007033 /nfs/dbraw/zinc/00/70/33/599007033.db2.gz DXBZBCZBKQPWDT-ZWLSGLHFSA-N -1 3 313.405 2.678 20 0 DFADHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000736095905 599014870 /nfs/dbraw/zinc/01/48/70/599014870.db2.gz KCURUKKVESIAHU-QWRGUYRKSA-N -1 3 301.394 2.726 20 0 DFADHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000736095905 599014872 /nfs/dbraw/zinc/01/48/72/599014872.db2.gz KCURUKKVESIAHU-QWRGUYRKSA-N -1 3 301.394 2.726 20 0 DFADHM CC1(C)[C@H](Nc2ccc(F)cc2-c2nnn[n-]2)[C@H]2CCCO[C@H]21 ZINC000820583022 599042962 /nfs/dbraw/zinc/04/29/62/599042962.db2.gz AXTIZKLVUFPANU-LERXQTSPSA-N -1 3 317.368 2.621 20 0 DFADHM CC1(C)[C@H](Nc2ccc(F)cc2-c2nn[n-]n2)[C@H]2CCCO[C@H]21 ZINC000820583022 599042965 /nfs/dbraw/zinc/04/29/65/599042965.db2.gz AXTIZKLVUFPANU-LERXQTSPSA-N -1 3 317.368 2.621 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC[C@H]1c1ccccc1 ZINC000820768782 599050608 /nfs/dbraw/zinc/05/06/08/599050608.db2.gz PROBBOHHXDDNGQ-CZUORRHYSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC[C@H]1c1ccccc1 ZINC000820768782 599050611 /nfs/dbraw/zinc/05/06/11/599050611.db2.gz PROBBOHHXDDNGQ-CZUORRHYSA-N -1 3 320.400 2.892 20 0 DFADHM CCc1noc([C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000736713075 599063828 /nfs/dbraw/zinc/06/38/28/599063828.db2.gz MSXRQEJRCNPNPJ-SSDOTTSWSA-N -1 3 320.353 2.805 20 0 DFADHM CCc1noc([C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000736713075 599063831 /nfs/dbraw/zinc/06/38/31/599063831.db2.gz MSXRQEJRCNPNPJ-SSDOTTSWSA-N -1 3 320.353 2.805 20 0 DFADHM CC[C@H](C)C[C@@H](C)Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000820870568 599067855 /nfs/dbraw/zinc/06/78/55/599067855.db2.gz VHWFKILTBKKTOB-WDEREUQCSA-N -1 3 300.410 2.987 20 0 DFADHM CC[C@H](C)C[C@@H](C)Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000820870568 599067857 /nfs/dbraw/zinc/06/78/57/599067857.db2.gz VHWFKILTBKKTOB-WDEREUQCSA-N -1 3 300.410 2.987 20 0 DFADHM CC(C)c1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ncn1 ZINC000820187441 599069089 /nfs/dbraw/zinc/06/90/89/599069089.db2.gz AZKMMVSLPCVFKS-UHFFFAOYSA-N -1 3 313.340 2.531 20 0 DFADHM CC(C)c1cc(NCc2cc(-c3nn[n-]n3)ccc2F)ncn1 ZINC000820187441 599069091 /nfs/dbraw/zinc/06/90/91/599069091.db2.gz AZKMMVSLPCVFKS-UHFFFAOYSA-N -1 3 313.340 2.531 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736245282 599074424 /nfs/dbraw/zinc/07/44/24/599074424.db2.gz RWAZIHMSJAVAHX-VHSXEESVSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736245282 599074427 /nfs/dbraw/zinc/07/44/27/599074427.db2.gz RWAZIHMSJAVAHX-VHSXEESVSA-N -1 3 303.341 2.771 20 0 DFADHM CC(C)[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2F)CCS1 ZINC000820046801 599097418 /nfs/dbraw/zinc/09/74/18/599097418.db2.gz UOBSBXSVSFQIIP-CYBMUJFWSA-N -1 3 307.398 2.584 20 0 DFADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000736018488 599101708 /nfs/dbraw/zinc/10/17/08/599101708.db2.gz WUQVGSDGCWBKBE-JTQLQIEISA-N -1 3 302.382 2.670 20 0 DFADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000736018488 599101711 /nfs/dbraw/zinc/10/17/11/599101711.db2.gz WUQVGSDGCWBKBE-JTQLQIEISA-N -1 3 302.382 2.670 20 0 DFADHM CCO[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2F)C12CCC2 ZINC000736611987 599119913 /nfs/dbraw/zinc/11/99/13/599119913.db2.gz LDTCHJKVRDYBOZ-KGLIPLIRSA-N -1 3 317.368 2.765 20 0 DFADHM CCc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nc(C)n1 ZINC000736678364 599120298 /nfs/dbraw/zinc/12/02/98/599120298.db2.gz YMMVYSZMABPJFZ-SNVBAGLBSA-N -1 3 309.377 2.701 20 0 DFADHM CC(C)CN(C(=O)/C=C\C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081829 599146024 /nfs/dbraw/zinc/14/60/24/599146024.db2.gz XNOGSYBAZQAKAP-YHYXMXQVSA-N -1 3 311.389 2.822 20 0 DFADHM CC(C)CN(C(=O)/C=C\C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081829 599146025 /nfs/dbraw/zinc/14/60/25/599146025.db2.gz XNOGSYBAZQAKAP-YHYXMXQVSA-N -1 3 311.389 2.822 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCc1sc(C)nc1C ZINC000737032996 599156661 /nfs/dbraw/zinc/15/66/61/599156661.db2.gz RVMQCOPROJDQEZ-UHFFFAOYSA-N -1 3 317.374 2.528 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCc1sc(C)nc1C ZINC000737032996 599156662 /nfs/dbraw/zinc/15/66/62/599156662.db2.gz RVMQCOPROJDQEZ-UHFFFAOYSA-N -1 3 317.374 2.528 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1SCC(F)(F)C(F)F ZINC000737643994 599170095 /nfs/dbraw/zinc/17/00/95/599170095.db2.gz JAPNPWVBVPAEMX-UHFFFAOYSA-N -1 3 310.251 2.998 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1SCC(F)(F)C(F)F ZINC000737643994 599170096 /nfs/dbraw/zinc/17/00/96/599170096.db2.gz JAPNPWVBVPAEMX-UHFFFAOYSA-N -1 3 310.251 2.998 20 0 DFADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735561500 599177535 /nfs/dbraw/zinc/17/75/35/599177535.db2.gz KQSQHTLBNZOQHG-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735561500 599177537 /nfs/dbraw/zinc/17/75/37/599177537.db2.gz KQSQHTLBNZOQHG-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccco1 ZINC000738178817 599181596 /nfs/dbraw/zinc/18/15/96/599181596.db2.gz LJSQKSSHVWLWJM-ZDUSSCGKSA-N -1 3 324.344 2.829 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccco1 ZINC000738178817 599181598 /nfs/dbraw/zinc/18/15/98/599181598.db2.gz LJSQKSSHVWLWJM-ZDUSSCGKSA-N -1 3 324.344 2.829 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]2CCC[C@H]21 ZINC000737801790 599224723 /nfs/dbraw/zinc/22/47/23/599224723.db2.gz UJMORKMSQJTMNC-XKFLJWQCSA-N -1 3 323.400 2.671 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]2CCC[C@H]21 ZINC000737801790 599224725 /nfs/dbraw/zinc/22/47/25/599224725.db2.gz UJMORKMSQJTMNC-XKFLJWQCSA-N -1 3 323.400 2.671 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738023676 599227646 /nfs/dbraw/zinc/22/76/46/599227646.db2.gz IRZCEYGTXXUOJO-LALPHHSUSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738023676 599227648 /nfs/dbraw/zinc/22/76/48/599227648.db2.gz IRZCEYGTXXUOJO-LALPHHSUSA-N -1 3 311.389 2.565 20 0 DFADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820698255 599240211 /nfs/dbraw/zinc/24/02/11/599240211.db2.gz RUQHGDZKIXXADW-RYUDHWBXSA-N -1 3 314.393 2.909 20 0 DFADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820698255 599240213 /nfs/dbraw/zinc/24/02/13/599240213.db2.gz RUQHGDZKIXXADW-RYUDHWBXSA-N -1 3 314.393 2.909 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822060443 607270171 /nfs/dbraw/zinc/27/01/71/607270171.db2.gz HLBZWQKTFVTVCM-LBPRGKRZSA-N -1 3 321.384 2.992 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822060443 607270172 /nfs/dbraw/zinc/27/01/72/607270172.db2.gz HLBZWQKTFVTVCM-LBPRGKRZSA-N -1 3 321.384 2.992 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820870100 599243259 /nfs/dbraw/zinc/24/32/59/599243259.db2.gz MRMLABOSJANMSW-QWRGUYRKSA-N -1 3 302.382 2.813 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820870100 599243260 /nfs/dbraw/zinc/24/32/60/599243260.db2.gz MRMLABOSJANMSW-QWRGUYRKSA-N -1 3 302.382 2.813 20 0 DFADHM Cc1cccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822299851 607269251 /nfs/dbraw/zinc/26/92/51/607269251.db2.gz WYMDGEOWFRGAQX-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM Cc1cccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822299851 607269252 /nfs/dbraw/zinc/26/92/52/607269252.db2.gz WYMDGEOWFRGAQX-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM CC[C@]1(C)CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820949853 599245397 /nfs/dbraw/zinc/24/53/97/599245397.db2.gz GKUBVAQJALNQDY-MRXNPFEDSA-N -1 3 314.393 2.911 20 0 DFADHM CC[C@]1(C)CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820949853 599245400 /nfs/dbraw/zinc/24/54/00/599245400.db2.gz GKUBVAQJALNQDY-MRXNPFEDSA-N -1 3 314.393 2.911 20 0 DFADHM CC1(C)CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820596952 599245609 /nfs/dbraw/zinc/24/56/09/599245609.db2.gz WOCHOGLJRSMCSF-UHFFFAOYSA-N -1 3 314.393 2.911 20 0 DFADHM CC1(C)CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820596952 599245611 /nfs/dbraw/zinc/24/56/11/599245611.db2.gz WOCHOGLJRSMCSF-UHFFFAOYSA-N -1 3 314.393 2.911 20 0 DFADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000818053046 597244258 /nfs/dbraw/zinc/24/42/58/597244258.db2.gz MKKOUFZJFZWRQW-YTEVENLXSA-N -1 3 317.410 2.973 20 0 DFADHM Cc1c(NC(=O)NCc2cccs2)cccc1-c1nnn[n-]1 ZINC000822104663 607287654 /nfs/dbraw/zinc/28/76/54/607287654.db2.gz PNGXDVMQZMPHSM-UHFFFAOYSA-N -1 3 314.374 2.558 20 0 DFADHM Cc1c(NC(=O)NCc2cccs2)cccc1-c1nn[n-]n1 ZINC000822104663 607287655 /nfs/dbraw/zinc/28/76/55/607287655.db2.gz PNGXDVMQZMPHSM-UHFFFAOYSA-N -1 3 314.374 2.558 20 0 DFADHM CC[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000820979077 607283528 /nfs/dbraw/zinc/28/35/28/607283528.db2.gz DXVAUGCYYOBHTC-GFCCVEGCSA-N -1 3 314.393 2.829 20 0 DFADHM CC[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000820979077 607283529 /nfs/dbraw/zinc/28/35/29/607283529.db2.gz DXVAUGCYYOBHTC-GFCCVEGCSA-N -1 3 314.393 2.829 20 0 DFADHM CC[C@H](C)CN(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820870166 607292126 /nfs/dbraw/zinc/29/21/26/607292126.db2.gz OIUFQSCMXCBYER-JTQLQIEISA-N -1 3 302.382 2.685 20 0 DFADHM CC[C@H](C)CN(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820870166 607292127 /nfs/dbraw/zinc/29/21/27/607292127.db2.gz OIUFQSCMXCBYER-JTQLQIEISA-N -1 3 302.382 2.685 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)o1 ZINC000822227395 607296870 /nfs/dbraw/zinc/29/68/70/607296870.db2.gz HCQVTOFVDUSRCL-LLVKDONJSA-N -1 3 311.345 2.819 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)o1 ZINC000822227395 607296871 /nfs/dbraw/zinc/29/68/71/607296871.db2.gz HCQVTOFVDUSRCL-LLVKDONJSA-N -1 3 311.345 2.819 20 0 DFADHM Cc1c(NC(=O)[C@@H]2CCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822067333 607297473 /nfs/dbraw/zinc/29/74/73/607297473.db2.gz JEGRWKOFANDBLN-OAHLLOKOSA-N -1 3 319.368 2.844 20 0 DFADHM Cc1c(NC(=O)[C@@H]2CCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822067333 607297474 /nfs/dbraw/zinc/29/74/74/607297474.db2.gz JEGRWKOFANDBLN-OAHLLOKOSA-N -1 3 319.368 2.844 20 0 DFADHM O[C@H]1CCCC[C@H]1CCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000823706413 607306557 /nfs/dbraw/zinc/30/65/57/607306557.db2.gz MHXABVJHQQNMJK-WFASDCNBSA-N -1 3 301.394 2.610 20 0 DFADHM O[C@H]1CCCC[C@H]1CCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000823706807 607306631 /nfs/dbraw/zinc/30/66/31/607306631.db2.gz PDHKXFVDSDNVMA-NHYWBVRUSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@H]1CCCC[C@H]1CCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000823706807 607306632 /nfs/dbraw/zinc/30/66/32/607306632.db2.gz PDHKXFVDSDNVMA-NHYWBVRUSA-N -1 3 319.384 2.749 20 0 DFADHM COCc1ccccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821695707 607312404 /nfs/dbraw/zinc/31/24/04/607312404.db2.gz DJPFGIRFXKWSQI-UHFFFAOYSA-N -1 3 301.375 2.687 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N(Cc1cccnc1)C1CC1 ZINC000822744595 607303831 /nfs/dbraw/zinc/30/38/31/607303831.db2.gz XQATWHMABXRRPH-UHFFFAOYSA-N -1 3 310.336 2.570 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)c(F)c1 ZINC000737062456 599268503 /nfs/dbraw/zinc/26/85/03/599268503.db2.gz MVMYZYREYQLSOY-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)c(F)c1 ZINC000737062456 599268505 /nfs/dbraw/zinc/26/85/05/599268505.db2.gz MVMYZYREYQLSOY-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccco1 ZINC000736489340 599278199 /nfs/dbraw/zinc/27/81/99/599278199.db2.gz YBYXLXPBJMPGPJ-UHFFFAOYSA-N -1 3 312.333 2.534 20 0 DFADHM COc1nc2ccccc2cc1CN1CCC(C(=O)[O-])CC1 ZINC000820881833 598119726 /nfs/dbraw/zinc/11/97/26/598119726.db2.gz XUWJVXRTALWUHL-UHFFFAOYSA-N -1 3 300.358 2.540 20 0 DFADHM CCc1nc(CNc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000821510170 607332655 /nfs/dbraw/zinc/33/26/55/607332655.db2.gz YLUVOEAFAMOEEA-UHFFFAOYSA-N -1 3 304.354 2.637 20 0 DFADHM Cc1cscc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826321271 607339697 /nfs/dbraw/zinc/33/96/97/607339697.db2.gz YDRDLIUWSVVYRY-VOTSOKGWSA-N -1 3 311.370 2.889 20 0 DFADHM Cc1cscc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826321271 607339699 /nfs/dbraw/zinc/33/96/99/607339699.db2.gz YDRDLIUWSVVYRY-VOTSOKGWSA-N -1 3 311.370 2.889 20 0 DFADHM CC[C@H](C)[C@H](NCc1coc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC000820465473 598187615 /nfs/dbraw/zinc/18/76/15/598187615.db2.gz IEGXLPMAPUZJKP-NHYWBVRUSA-N -1 3 318.373 2.939 20 0 DFADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820147768 598191945 /nfs/dbraw/zinc/19/19/45/598191945.db2.gz DGKWTMHETHVXIE-SNVBAGLBSA-N -1 3 311.341 2.818 20 0 DFADHM CC[C@@H](C)[C@H](C)N(C(=O)c1sccc1-c1nn[n-]n1)C1CC1 ZINC000736329618 598240841 /nfs/dbraw/zinc/24/08/41/598240841.db2.gz JVRSHXUVOBAHBC-ZJUUUORDSA-N -1 3 319.434 2.967 20 0 DFADHM CC[C@@H](C)[C@H](C)N(C(=O)c1sccc1-c1nnn[n-]1)C1CC1 ZINC000736329618 598240839 /nfs/dbraw/zinc/24/08/39/598240839.db2.gz JVRSHXUVOBAHBC-ZJUUUORDSA-N -1 3 319.434 2.967 20 0 DFADHM CCc1nc(CN(C)c2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000736704684 598241962 /nfs/dbraw/zinc/24/19/62/598241962.db2.gz RIIBKMQGAXVHJN-UHFFFAOYSA-N -1 3 318.381 2.661 20 0 DFADHM CCC(CC)CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736341525 598277540 /nfs/dbraw/zinc/27/75/40/598277540.db2.gz CBMVJOFMGLXYGJ-UHFFFAOYSA-N -1 3 304.423 2.589 20 0 DFADHM CCC(CC)CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736341525 598277542 /nfs/dbraw/zinc/27/75/42/598277542.db2.gz CBMVJOFMGLXYGJ-UHFFFAOYSA-N -1 3 304.423 2.589 20 0 DFADHM CC[C@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736322991 598279385 /nfs/dbraw/zinc/27/93/85/598279385.db2.gz SPHLNPXWMPKHAI-JTQLQIEISA-N -1 3 319.413 2.685 20 0 DFADHM CC[C@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736322991 598279387 /nfs/dbraw/zinc/27/93/87/598279387.db2.gz SPHLNPXWMPKHAI-JTQLQIEISA-N -1 3 319.413 2.685 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ncnc2ccccc21 ZINC000737641317 598310779 /nfs/dbraw/zinc/31/07/79/598310779.db2.gz WKEHMSNYDOVOIT-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ncnc2ccccc21 ZINC000737641317 598310781 /nfs/dbraw/zinc/31/07/81/598310781.db2.gz WKEHMSNYDOVOIT-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM CN(C(=O)CC1CCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732550 598310956 /nfs/dbraw/zinc/31/09/56/598310956.db2.gz MJXBBWTWAZGDCL-UHFFFAOYSA-N -1 3 303.341 2.549 20 0 DFADHM CN(C(=O)CC1CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732550 598310958 /nfs/dbraw/zinc/31/09/58/598310958.db2.gz MJXBBWTWAZGDCL-UHFFFAOYSA-N -1 3 303.341 2.549 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737309255 598311552 /nfs/dbraw/zinc/31/15/52/598311552.db2.gz QGOHXAVDODPRFS-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737309255 598311554 /nfs/dbraw/zinc/31/15/54/598311554.db2.gz QGOHXAVDODPRFS-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CC(C)Oc1ccccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000735913145 598358927 /nfs/dbraw/zinc/35/89/27/598358927.db2.gz HFHQKFBSXINIDK-UHFFFAOYSA-N -1 3 324.340 2.873 20 0 DFADHM CC(C)Oc1ccccc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735913145 598358928 /nfs/dbraw/zinc/35/89/28/598358928.db2.gz HFHQKFBSXINIDK-UHFFFAOYSA-N -1 3 324.340 2.873 20 0 DFADHM O=C(Nc1cccc2[nH]ccc21)c1sccc1-c1nnn[n-]1 ZINC000738185133 598384737 /nfs/dbraw/zinc/38/47/37/598384737.db2.gz RYWOZDVURPUQKI-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(Nc1cccc2[nH]ccc21)c1sccc1-c1nn[n-]n1 ZINC000738185133 598384739 /nfs/dbraw/zinc/38/47/39/598384739.db2.gz RYWOZDVURPUQKI-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1NC[C@H]1CC1(Cl)Cl ZINC000737558090 598387109 /nfs/dbraw/zinc/38/71/09/598387109.db2.gz KITHPJTVPBPMNG-ZCFIWIBFSA-N -1 3 319.583 2.521 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@H]1CC1(Cl)Cl ZINC000737558090 598387110 /nfs/dbraw/zinc/38/71/10/598387110.db2.gz KITHPJTVPBPMNG-ZCFIWIBFSA-N -1 3 319.583 2.521 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1=CCCCC1 ZINC000736814082 598395887 /nfs/dbraw/zinc/39/58/87/598395887.db2.gz OMKZPAVZXBYNEA-UHFFFAOYSA-N -1 3 311.389 2.716 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC1=CCCCC1 ZINC000736814082 598395890 /nfs/dbraw/zinc/39/58/90/598395890.db2.gz OMKZPAVZXBYNEA-UHFFFAOYSA-N -1 3 311.389 2.716 20 0 DFADHM CC(C)OC1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000735894390 598426717 /nfs/dbraw/zinc/42/67/17/598426717.db2.gz IFVVVZIWYPIQOW-UHFFFAOYSA-N -1 3 323.347 2.539 20 0 DFADHM CC(C)OC1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000735894390 598426719 /nfs/dbraw/zinc/42/67/19/598426719.db2.gz IFVVVZIWYPIQOW-UHFFFAOYSA-N -1 3 323.347 2.539 20 0 DFADHM Fc1ccccc1[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737664863 598427951 /nfs/dbraw/zinc/42/79/51/598427951.db2.gz POELNKCXEFIAMO-CYBMUJFWSA-N -1 3 309.348 3.000 20 0 DFADHM CCCCS[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736462985 598432928 /nfs/dbraw/zinc/43/29/28/598432928.db2.gz KSZVYBMJZHVIDP-LLVKDONJSA-N -1 3 320.418 2.832 20 0 DFADHM CCCCS[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736462985 598432926 /nfs/dbraw/zinc/43/29/26/598432926.db2.gz KSZVYBMJZHVIDP-LLVKDONJSA-N -1 3 320.418 2.832 20 0 DFADHM COc1ccc([C@@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737072586 598434828 /nfs/dbraw/zinc/43/48/28/598434828.db2.gz NCVOPDVVRMTVJY-LLVKDONJSA-N -1 3 324.340 2.584 20 0 DFADHM COc1ccc([C@@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737072586 598434829 /nfs/dbraw/zinc/43/48/29/598434829.db2.gz NCVOPDVVRMTVJY-LLVKDONJSA-N -1 3 324.340 2.584 20 0 DFADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1cc(C)cc(C)c1 ZINC000736505460 598443254 /nfs/dbraw/zinc/44/32/54/598443254.db2.gz IXVSVJNCLWNZIY-UHFFFAOYSA-N -1 3 322.372 2.545 20 0 DFADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1cc(C)cc(C)c1 ZINC000736505460 598443256 /nfs/dbraw/zinc/44/32/56/598443256.db2.gz IXVSVJNCLWNZIY-UHFFFAOYSA-N -1 3 322.372 2.545 20 0 DFADHM CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCC[C@H]1C ZINC000736508027 598445901 /nfs/dbraw/zinc/44/59/01/598445901.db2.gz IHPQTCRQZRMBKL-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCC[C@H]1C ZINC000736508027 598445902 /nfs/dbraw/zinc/44/59/02/598445902.db2.gz IHPQTCRQZRMBKL-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM CC[C@@](C)(NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736314183 598454638 /nfs/dbraw/zinc/45/46/38/598454638.db2.gz JCTCOCYTWAQTLX-GOSISDBHSA-N -1 3 321.384 2.922 20 0 DFADHM CC[C@@](C)(NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736314183 598454640 /nfs/dbraw/zinc/45/46/40/598454640.db2.gz JCTCOCYTWAQTLX-GOSISDBHSA-N -1 3 321.384 2.922 20 0 DFADHM Cc1nc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000737471713 598469142 /nfs/dbraw/zinc/46/91/42/598469142.db2.gz SHELQLOAASCQHG-LURJTMIESA-N -1 3 321.797 2.853 20 0 DFADHM Cc1nc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000737471713 598469143 /nfs/dbraw/zinc/46/91/43/598469143.db2.gz SHELQLOAASCQHG-LURJTMIESA-N -1 3 321.797 2.853 20 0 DFADHM CCCCS[C@@H](C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736462354 598484804 /nfs/dbraw/zinc/48/48/04/598484804.db2.gz DOJCWXQRDRBTMC-NSHDSACASA-N -1 3 320.418 2.832 20 0 DFADHM CCCCS[C@@H](C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736462354 598484806 /nfs/dbraw/zinc/48/48/06/598484806.db2.gz DOJCWXQRDRBTMC-NSHDSACASA-N -1 3 320.418 2.832 20 0 DFADHM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(C)cc1 ZINC000736381737 598484924 /nfs/dbraw/zinc/48/49/24/598484924.db2.gz JZKLXKNDMNIRGD-OAHLLOKOSA-N -1 3 323.356 2.878 20 0 DFADHM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(C)cc1 ZINC000736381737 598484926 /nfs/dbraw/zinc/48/49/26/598484926.db2.gz JZKLXKNDMNIRGD-OAHLLOKOSA-N -1 3 323.356 2.878 20 0 DFADHM C[C@H](OC(=O)CCc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000736150894 598487245 /nfs/dbraw/zinc/48/72/45/598487245.db2.gz OSACNUJPWUIVTM-NSHDSACASA-N -1 3 312.329 2.697 20 0 DFADHM C[C@H](OC(=O)CCc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000736150894 598487246 /nfs/dbraw/zinc/48/72/46/598487246.db2.gz OSACNUJPWUIVTM-NSHDSACASA-N -1 3 312.329 2.697 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737196461 598512294 /nfs/dbraw/zinc/51/22/94/598512294.db2.gz KDTHASXRMFFBHS-UMSPYCQHSA-N -1 3 300.366 2.567 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737196461 598512296 /nfs/dbraw/zinc/51/22/96/598512296.db2.gz KDTHASXRMFFBHS-UMSPYCQHSA-N -1 3 300.366 2.567 20 0 DFADHM CSCCc1ccc(Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737180552 598521678 /nfs/dbraw/zinc/52/16/78/598521678.db2.gz CNOWVJRGPIVBSR-UHFFFAOYSA-N -1 3 312.402 2.911 20 0 DFADHM CSCCc1ccc(Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737180552 598521679 /nfs/dbraw/zinc/52/16/79/598521679.db2.gz CNOWVJRGPIVBSR-UHFFFAOYSA-N -1 3 312.402 2.911 20 0 DFADHM COc1ccccc1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000737146185 598522709 /nfs/dbraw/zinc/52/27/09/598522709.db2.gz HLPBPXVSCXAEIC-CQSZACIVSA-N -1 3 322.372 2.612 20 0 DFADHM COc1ccccc1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000737146185 598522710 /nfs/dbraw/zinc/52/27/10/598522710.db2.gz HLPBPXVSCXAEIC-CQSZACIVSA-N -1 3 322.372 2.612 20 0 DFADHM CCOCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736617631 598570850 /nfs/dbraw/zinc/57/08/50/598570850.db2.gz ZIMSOXBEEAWIJH-UHFFFAOYSA-N -1 3 315.299 2.724 20 0 DFADHM CCOCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736617631 598570852 /nfs/dbraw/zinc/57/08/52/598570852.db2.gz ZIMSOXBEEAWIJH-UHFFFAOYSA-N -1 3 315.299 2.724 20 0 DFADHM CCCCS[C@@H](C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736464287 598584752 /nfs/dbraw/zinc/58/47/52/598584752.db2.gz XMVPPJJDXXNQFR-VIFPVBQESA-N -1 3 323.397 2.866 20 0 DFADHM CCCCS[C@@H](C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736464287 598584754 /nfs/dbraw/zinc/58/47/54/598584754.db2.gz XMVPPJJDXXNQFR-VIFPVBQESA-N -1 3 323.397 2.866 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000738165403 598589462 /nfs/dbraw/zinc/58/94/62/598589462.db2.gz DCRXNTZFWAMXCR-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000738165403 598589464 /nfs/dbraw/zinc/58/94/64/598589464.db2.gz DCRXNTZFWAMXCR-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@H]1C1CCC1 ZINC000737797456 598597856 /nfs/dbraw/zinc/59/78/56/598597856.db2.gz IRLYEGGUFIICRA-SNGWPZLWSA-N -1 3 323.400 2.671 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@H]1C1CCC1 ZINC000737797456 598597857 /nfs/dbraw/zinc/59/78/57/598597857.db2.gz IRLYEGGUFIICRA-SNGWPZLWSA-N -1 3 323.400 2.671 20 0 DFADHM CC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000735498093 598606991 /nfs/dbraw/zinc/60/69/91/598606991.db2.gz FPIRQVNSUYQNSG-UHFFFAOYSA-N -1 3 308.341 2.957 20 0 DFADHM CC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000735498093 598606990 /nfs/dbraw/zinc/60/69/90/598606990.db2.gz FPIRQVNSUYQNSG-UHFFFAOYSA-N -1 3 308.341 2.957 20 0 DFADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1cscn1 ZINC000736199848 598622892 /nfs/dbraw/zinc/62/28/92/598622892.db2.gz ZJXZTJWCVYVZGU-SNVBAGLBSA-N -1 3 300.391 2.516 20 0 DFADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1cscn1 ZINC000736199848 598622894 /nfs/dbraw/zinc/62/28/94/598622894.db2.gz ZJXZTJWCVYVZGU-SNVBAGLBSA-N -1 3 300.391 2.516 20 0 DFADHM C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736271425 598630759 /nfs/dbraw/zinc/63/07/59/598630759.db2.gz NIQXSEKVDOSLBJ-ZANVPECISA-N -1 3 318.356 2.706 20 0 DFADHM C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736271425 598630761 /nfs/dbraw/zinc/63/07/61/598630761.db2.gz NIQXSEKVDOSLBJ-ZANVPECISA-N -1 3 318.356 2.706 20 0 DFADHM C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736271422 598630909 /nfs/dbraw/zinc/63/09/09/598630909.db2.gz NIQXSEKVDOSLBJ-NOZJJQNGSA-N -1 3 318.356 2.706 20 0 DFADHM C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736271422 598630910 /nfs/dbraw/zinc/63/09/10/598630910.db2.gz NIQXSEKVDOSLBJ-NOZJJQNGSA-N -1 3 318.356 2.706 20 0 DFADHM CN(Cc1cccnc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736828089 598636200 /nfs/dbraw/zinc/63/62/00/598636200.db2.gz HKPCBDOBCPHPFY-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1cccnc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736828089 598636201 /nfs/dbraw/zinc/63/62/01/598636201.db2.gz HKPCBDOBCPHPFY-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM C[C@@H](Nc1ccnc(C2CC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136557 598649890 /nfs/dbraw/zinc/64/98/90/598649890.db2.gz GLIFUUKMWBNTRH-SNVBAGLBSA-N -1 3 307.361 2.707 20 0 DFADHM C[C@@H](Nc1ccnc(C2CC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136557 598649892 /nfs/dbraw/zinc/64/98/92/598649892.db2.gz GLIFUUKMWBNTRH-SNVBAGLBSA-N -1 3 307.361 2.707 20 0 DFADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735750637 598661748 /nfs/dbraw/zinc/66/17/48/598661748.db2.gz RDDKUSRHGOZCJX-CABCVRRESA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735750637 598661750 /nfs/dbraw/zinc/66/17/50/598661750.db2.gz RDDKUSRHGOZCJX-CABCVRRESA-N -1 3 313.405 2.811 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CC[C@H](c2ccco2)C1 ZINC000737562451 598677010 /nfs/dbraw/zinc/67/70/10/598677010.db2.gz JDPKCDWRWNGXKD-VIFPVBQESA-N -1 3 316.752 2.502 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CC[C@H](c2ccco2)C1 ZINC000737562451 598677012 /nfs/dbraw/zinc/67/70/12/598677012.db2.gz JDPKCDWRWNGXKD-VIFPVBQESA-N -1 3 316.752 2.502 20 0 DFADHM Fc1ccc2c(c1)N(Cc1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000737648965 598684395 /nfs/dbraw/zinc/68/43/95/598684395.db2.gz KTHIHEHVMXMVEW-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc2c(c1)N(Cc1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000737648965 598684396 /nfs/dbraw/zinc/68/43/96/598684396.db2.gz KTHIHEHVMXMVEW-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM CC(C)(C)OCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735639438 598721872 /nfs/dbraw/zinc/72/18/72/598721872.db2.gz HEZCBAKCYAJSOV-UHFFFAOYSA-N -1 3 312.377 2.545 20 0 DFADHM CC(C)(C)OCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735639438 598721874 /nfs/dbraw/zinc/72/18/74/598721874.db2.gz HEZCBAKCYAJSOV-UHFFFAOYSA-N -1 3 312.377 2.545 20 0 DFADHM Cc1ccccc1CCC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737425838 598736801 /nfs/dbraw/zinc/73/68/01/598736801.db2.gz DYROBFUZORDLRF-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM Cc1ccccc1CCC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737425838 598736802 /nfs/dbraw/zinc/73/68/02/598736802.db2.gz DYROBFUZORDLRF-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735751770 598749388 /nfs/dbraw/zinc/74/93/88/598749388.db2.gz XGMXRBOAMJJEGF-CABCVRRESA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735751770 598749389 /nfs/dbraw/zinc/74/93/89/598749389.db2.gz XGMXRBOAMJJEGF-CABCVRRESA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735750033 598749704 /nfs/dbraw/zinc/74/97/04/598749704.db2.gz OZLRAVYLHIGQHO-SWLSCSKDSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000735750033 598749706 /nfs/dbraw/zinc/74/97/06/598749706.db2.gz OZLRAVYLHIGQHO-SWLSCSKDSA-N -1 3 313.405 2.811 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736058451 598750207 /nfs/dbraw/zinc/75/02/07/598750207.db2.gz NEJVCNOFICLDOE-CYBMUJFWSA-N -1 3 322.368 2.789 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736058451 598750209 /nfs/dbraw/zinc/75/02/09/598750209.db2.gz NEJVCNOFICLDOE-CYBMUJFWSA-N -1 3 322.368 2.789 20 0 DFADHM CC[C@@H](C)[C@](C)(O)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736333902 598774628 /nfs/dbraw/zinc/77/46/28/598774628.db2.gz VWOWQLMHYCOYMF-YMTOWFKASA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@@H](C)[C@](C)(O)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736333902 598774630 /nfs/dbraw/zinc/77/46/30/598774630.db2.gz VWOWQLMHYCOYMF-YMTOWFKASA-N -1 3 309.801 2.729 20 0 DFADHM Cc1ccccc1CCC(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737425619 598780734 /nfs/dbraw/zinc/78/07/34/598780734.db2.gz BZDXNIKKOHNTFF-UHFFFAOYSA-N -1 3 322.368 2.851 20 0 DFADHM Cc1ccccc1CCC(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737425619 598780735 /nfs/dbraw/zinc/78/07/35/598780735.db2.gz BZDXNIKKOHNTFF-UHFFFAOYSA-N -1 3 322.368 2.851 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCSCC1 ZINC000738144352 598790486 /nfs/dbraw/zinc/79/04/86/598790486.db2.gz LNRFBSMJHRPZGA-UHFFFAOYSA-N -1 3 323.809 2.602 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCSCC1 ZINC000738144352 598790487 /nfs/dbraw/zinc/79/04/87/598790487.db2.gz LNRFBSMJHRPZGA-UHFFFAOYSA-N -1 3 323.809 2.602 20 0 DFADHM Cc1csc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000737451932 598793886 /nfs/dbraw/zinc/79/38/86/598793886.db2.gz HGFMOHZCNFKWGI-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1csc(CCNc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000737451932 598793888 /nfs/dbraw/zinc/79/38/88/598793888.db2.gz HGFMOHZCNFKWGI-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)C(C)C ZINC000737026990 598803171 /nfs/dbraw/zinc/80/31/71/598803171.db2.gz WBXCKPWWIUKJPN-QMMMGPOBSA-N -1 3 324.768 2.726 20 0 DFADHM O=C(NC/C=C/c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738053533 598798951 /nfs/dbraw/zinc/79/89/51/598798951.db2.gz YAOQCBRMKOFCEH-VMPITWQZSA-N -1 3 320.356 2.702 20 0 DFADHM O=C(NC/C=C/c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738053533 598798952 /nfs/dbraw/zinc/79/89/52/598798952.db2.gz YAOQCBRMKOFCEH-VMPITWQZSA-N -1 3 320.356 2.702 20 0 DFADHM CC(C)(C)SCCOC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735643369 598801257 /nfs/dbraw/zinc/80/12/57/598801257.db2.gz NJDLIAREORTWEU-UHFFFAOYSA-N -1 3 306.391 2.555 20 0 DFADHM CC(C)(C)SCCOC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735643369 598801259 /nfs/dbraw/zinc/80/12/59/598801259.db2.gz NJDLIAREORTWEU-UHFFFAOYSA-N -1 3 306.391 2.555 20 0 DFADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)C(C)C ZINC000737026990 598803170 /nfs/dbraw/zinc/80/31/70/598803170.db2.gz WBXCKPWWIUKJPN-QMMMGPOBSA-N -1 3 324.768 2.726 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc2ccccc2c1 ZINC000738149799 598805126 /nfs/dbraw/zinc/80/51/26/598805126.db2.gz HFFJCRFHSCBMMC-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc2ccccc2c1 ZINC000738149799 598805127 /nfs/dbraw/zinc/80/51/27/598805127.db2.gz HFFJCRFHSCBMMC-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc2ccccc2s1 ZINC000738152371 598805620 /nfs/dbraw/zinc/80/56/20/598805620.db2.gz XDYAGCPFBJKRAM-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc2ccccc2s1 ZINC000738152371 598805621 /nfs/dbraw/zinc/80/56/21/598805621.db2.gz XDYAGCPFBJKRAM-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM Fc1cccc(NC[C@H]2CCc3ccccc3N2)c1-c1nnn[n-]1 ZINC000737664717 598810246 /nfs/dbraw/zinc/81/02/46/598810246.db2.gz NNFHDFZKAUFIPR-GFCCVEGCSA-N -1 3 324.363 2.845 20 0 DFADHM Fc1cccc(NC[C@H]2CCc3ccccc3N2)c1-c1nn[n-]n1 ZINC000737664717 598810247 /nfs/dbraw/zinc/81/02/47/598810247.db2.gz NNFHDFZKAUFIPR-GFCCVEGCSA-N -1 3 324.363 2.845 20 0 DFADHM CN(C(=O)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736742185 599305392 /nfs/dbraw/zinc/30/53/92/599305392.db2.gz NBXCAAVHYMXNTC-UHFFFAOYSA-N -1 3 313.748 2.797 20 0 DFADHM CN(C(=O)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736742185 599305395 /nfs/dbraw/zinc/30/53/95/599305395.db2.gz NBXCAAVHYMXNTC-UHFFFAOYSA-N -1 3 313.748 2.797 20 0 DFADHM CC(=O)c1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735504032 599324777 /nfs/dbraw/zinc/32/47/77/599324777.db2.gz LWCYOXDJVHWLGR-UHFFFAOYSA-N -1 3 323.356 2.560 20 0 DFADHM CC(=O)c1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735504032 599324778 /nfs/dbraw/zinc/32/47/78/599324778.db2.gz LWCYOXDJVHWLGR-UHFFFAOYSA-N -1 3 323.356 2.560 20 0 DFADHM c1cn2cc(CSc3ccccc3-c3nnn[n-]3)nc2s1 ZINC000823774058 599346121 /nfs/dbraw/zinc/34/61/21/599346121.db2.gz YLIMRBPDVDIUDR-UHFFFAOYSA-N -1 3 314.399 2.868 20 0 DFADHM c1cn2cc(CSc3ccccc3-c3nn[n-]n3)nc2s1 ZINC000823774058 599346123 /nfs/dbraw/zinc/34/61/23/599346123.db2.gz YLIMRBPDVDIUDR-UHFFFAOYSA-N -1 3 314.399 2.868 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1N1CCC2(C1)CCOCC2 ZINC000822581112 599357875 /nfs/dbraw/zinc/35/78/75/599357875.db2.gz BDSIQGYOMMROAM-UHFFFAOYSA-N -1 3 319.796 2.527 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1N1CCC2(C1)CCOCC2 ZINC000822581112 599357877 /nfs/dbraw/zinc/35/78/77/599357877.db2.gz BDSIQGYOMMROAM-UHFFFAOYSA-N -1 3 319.796 2.527 20 0 DFADHM CCc1nc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821509325 599395591 /nfs/dbraw/zinc/39/55/91/599395591.db2.gz FXMRBPTYDKSTPY-JTQLQIEISA-N -1 3 314.418 2.736 20 0 DFADHM C[C@H](NC(=O)NCCC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820365544 599408675 /nfs/dbraw/zinc/40/86/75/599408675.db2.gz KWBJPQDCHBKQNB-NSHDSACASA-N -1 3 316.409 2.663 20 0 DFADHM C[C@H](NC(=O)NCCC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820365544 599408676 /nfs/dbraw/zinc/40/86/76/599408676.db2.gz KWBJPQDCHBKQNB-NSHDSACASA-N -1 3 316.409 2.663 20 0 DFADHM Cc1cc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)no1 ZINC000822201192 607375355 /nfs/dbraw/zinc/37/53/55/607375355.db2.gz VORAGMOGEMJAGT-UHFFFAOYSA-N -1 3 314.349 2.562 20 0 DFADHM Cc1cc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)no1 ZINC000822201192 607375357 /nfs/dbraw/zinc/37/53/57/607375357.db2.gz VORAGMOGEMJAGT-UHFFFAOYSA-N -1 3 314.349 2.562 20 0 DFADHM CN(Cc1ccoc1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736830324 599417063 /nfs/dbraw/zinc/41/70/63/599417063.db2.gz VCYIQWIFXOFKAK-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CN(Cc1ccoc1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736830324 599417064 /nfs/dbraw/zinc/41/70/64/599417064.db2.gz VCYIQWIFXOFKAK-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CC(C)(C)OCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735640104 599419521 /nfs/dbraw/zinc/41/95/21/599419521.db2.gz XIGJJONNHQWLIK-UHFFFAOYSA-N -1 3 312.377 2.642 20 0 DFADHM CC(C)(C)OCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735640104 599419524 /nfs/dbraw/zinc/41/95/24/599419524.db2.gz XIGJJONNHQWLIK-UHFFFAOYSA-N -1 3 312.377 2.642 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(F)cc1F ZINC000821749332 607377756 /nfs/dbraw/zinc/37/77/56/607377756.db2.gz HEVNKXAFMDGCPS-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(F)cc1F ZINC000821749332 607377758 /nfs/dbraw/zinc/37/77/58/607377758.db2.gz HEVNKXAFMDGCPS-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM CC[C@@](C)(NCc1ccc(-c2nn[n-]n2)o1)c1nc(C)cs1 ZINC000820853729 599447288 /nfs/dbraw/zinc/44/72/88/599447288.db2.gz OOFDYDYORVPHHB-CQSZACIVSA-N -1 3 318.406 2.640 20 0 DFADHM CN(Cc1ccccc1F)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821614560 599465317 /nfs/dbraw/zinc/46/53/17/599465317.db2.gz KVTVAKMGDOZKMI-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1ccccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821614560 599465318 /nfs/dbraw/zinc/46/53/18/599465318.db2.gz KVTVAKMGDOZKMI-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC000736235036 599472549 /nfs/dbraw/zinc/47/25/49/599472549.db2.gz LOIFUCFFMIXRFZ-BXUZGUMPSA-N -1 3 324.363 2.783 20 0 DFADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC000736235036 599472552 /nfs/dbraw/zinc/47/25/52/599472552.db2.gz LOIFUCFFMIXRFZ-BXUZGUMPSA-N -1 3 324.363 2.783 20 0 DFADHM Cc1cc(C)cc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000737250036 599486532 /nfs/dbraw/zinc/48/65/32/599486532.db2.gz HECHDISWAFVYGX-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1cc(C)cc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737250036 599486533 /nfs/dbraw/zinc/48/65/33/599486533.db2.gz HECHDISWAFVYGX-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CC=CCC1 ZINC000738152157 599499672 /nfs/dbraw/zinc/49/96/72/599499672.db2.gz PPEKHEXVOPFSMN-SECBINFHSA-N -1 3 318.768 2.750 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CC=CCC1 ZINC000738152157 599499675 /nfs/dbraw/zinc/49/96/75/599499675.db2.gz PPEKHEXVOPFSMN-SECBINFHSA-N -1 3 318.768 2.750 20 0 DFADHM CCCN(C)c1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000821088722 599502861 /nfs/dbraw/zinc/50/28/61/599502861.db2.gz UBHZPEVBRWKABS-UHFFFAOYSA-N -1 3 300.341 2.709 20 0 DFADHM CCCN(C)c1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000821088722 599502863 /nfs/dbraw/zinc/50/28/63/599502863.db2.gz UBHZPEVBRWKABS-UHFFFAOYSA-N -1 3 300.341 2.709 20 0 DFADHM CC[C@H](c1ccncc1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC000736396937 599530098 /nfs/dbraw/zinc/53/00/98/599530098.db2.gz PYKRXALYXWRWHX-CYBMUJFWSA-N -1 3 312.352 2.988 20 0 DFADHM CC[C@H](c1ccncc1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC000736396937 599530099 /nfs/dbraw/zinc/53/00/99/599530099.db2.gz PYKRXALYXWRWHX-CYBMUJFWSA-N -1 3 312.352 2.988 20 0 DFADHM C[C@@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820690641 599532251 /nfs/dbraw/zinc/53/22/51/599532251.db2.gz PKJNOINUEIVMAB-LALPHHSUSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820690641 599532253 /nfs/dbraw/zinc/53/22/53/599532253.db2.gz PKJNOINUEIVMAB-LALPHHSUSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](NC(=O)C=C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323678 599533024 /nfs/dbraw/zinc/53/30/24/599533024.db2.gz YONGHDFGOLHEAV-LBPRGKRZSA-N -1 3 311.389 2.934 20 0 DFADHM C[C@H](NC(=O)C=C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323678 599533026 /nfs/dbraw/zinc/53/30/26/599533026.db2.gz YONGHDFGOLHEAV-LBPRGKRZSA-N -1 3 311.389 2.934 20 0 DFADHM Cc1ccc(C)c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822230549 599540596 /nfs/dbraw/zinc/54/05/96/599540596.db2.gz JVDPKIZEAZQHDV-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1ccc(C)c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822230549 599540597 /nfs/dbraw/zinc/54/05/97/599540597.db2.gz JVDPKIZEAZQHDV-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM c1ccc2c(c1)CN(c1c(-c3nnn[n-]3)cnc3ccccc31)C2 ZINC000823796539 599543731 /nfs/dbraw/zinc/54/37/31/599543731.db2.gz CXSCFDSOMUAATD-UHFFFAOYSA-N -1 3 314.352 2.935 20 0 DFADHM c1ccc2c(c1)CN(c1c(-c3nn[n-]n3)cnc3ccccc31)C2 ZINC000823796539 599543733 /nfs/dbraw/zinc/54/37/33/599543733.db2.gz CXSCFDSOMUAATD-UHFFFAOYSA-N -1 3 314.352 2.935 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CC=CCC1 ZINC000822335265 599564698 /nfs/dbraw/zinc/56/46/98/599564698.db2.gz JINNWPSVZSCBMW-LBPRGKRZSA-N -1 3 306.373 2.666 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CC=CCC1 ZINC000822335265 599564700 /nfs/dbraw/zinc/56/47/00/599564700.db2.gz JINNWPSVZSCBMW-LBPRGKRZSA-N -1 3 306.373 2.666 20 0 DFADHM Cc1cccc(C)c1COC(=O)c1sccc1-c1nnn[n-]1 ZINC000737388780 599605757 /nfs/dbraw/zinc/60/57/57/599605757.db2.gz FLEATYQQUPQQSQ-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM C[C@@H](OC(=O)[C@H](C)c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820489103 599621274 /nfs/dbraw/zinc/62/12/74/599621274.db2.gz ZGJCPSSBOVXRKW-GHMZBOCLSA-N -1 3 312.329 2.868 20 0 DFADHM C[C@@H](OC(=O)[C@H](C)c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820489103 599621275 /nfs/dbraw/zinc/62/12/75/599621275.db2.gz ZGJCPSSBOVXRKW-GHMZBOCLSA-N -1 3 312.329 2.868 20 0 DFADHM COc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000821772803 599623138 /nfs/dbraw/zinc/62/31/38/599623138.db2.gz QHIFXZHIGCTLQL-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000821772803 599623139 /nfs/dbraw/zinc/62/31/39/599623139.db2.gz QHIFXZHIGCTLQL-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820690247 599624022 /nfs/dbraw/zinc/62/40/22/599624022.db2.gz ICUOHAVNKCLJHP-RISCZKNCSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820690247 599624023 /nfs/dbraw/zinc/62/40/23/599624023.db2.gz ICUOHAVNKCLJHP-RISCZKNCSA-N -1 3 300.362 2.736 20 0 DFADHM CCC(C)(C)CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820848010 599651793 /nfs/dbraw/zinc/65/17/93/599651793.db2.gz QDYVYWCFAIGUMG-LLVKDONJSA-N -1 3 301.394 2.870 20 0 DFADHM CCC(C)(C)CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820848010 599651794 /nfs/dbraw/zinc/65/17/94/599651794.db2.gz QDYVYWCFAIGUMG-LLVKDONJSA-N -1 3 301.394 2.870 20 0 DFADHM CC(C)[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820334183 599680748 /nfs/dbraw/zinc/68/07/48/599680748.db2.gz KOIKEJOCWVGMSC-NWDGAFQWSA-N -1 3 316.409 2.614 20 0 DFADHM CC(C)[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820334183 599680749 /nfs/dbraw/zinc/68/07/49/599680749.db2.gz KOIKEJOCWVGMSC-NWDGAFQWSA-N -1 3 316.409 2.614 20 0 DFADHM CCC(CC)(CCO)CNc1ncc(-c2nnn[n-]2)cc1Cl 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COc1ccc(CN(C)[C@H](C(=O)[O-])c2ccc(F)cc2)cc1O ZINC000832310760 601007708 /nfs/dbraw/zinc/00/77/08/601007708.db2.gz GKOFBTXQRYULRY-INIZCTEOSA-N -1 3 319.332 2.798 20 0 DFADHM COc1ccc(-c2nc(CN[C@](C)(C(=O)[O-])C3CC3)co2)cc1 ZINC000832130064 601040623 /nfs/dbraw/zinc/04/06/23/601040623.db2.gz WEAPWZYACOCKPN-KRWDZBQOSA-N -1 3 316.357 2.693 20 0 DFADHM COc1ccc(CN(C)C/C=C(/C)C(=O)[O-])cc1OC(F)F ZINC000832310821 601050904 /nfs/dbraw/zinc/05/09/04/601050904.db2.gz IPNVCQWPKREUJC-POHAHGRESA-N -1 3 315.316 2.759 20 0 DFADHM C[C@@H](c1ccccc1F)N(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824770813 607485857 /nfs/dbraw/zinc/48/58/57/607485857.db2.gz MRYWWKDMLGIDQT-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM C[C@@H](c1ccccc1F)N(C)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824770813 607485858 /nfs/dbraw/zinc/48/58/58/607485858.db2.gz MRYWWKDMLGIDQT-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM COC[C@](C)(CC(=O)[O-])NCc1cc2ccccc2nc1Cl ZINC000831578847 601136167 /nfs/dbraw/zinc/13/61/67/601136167.db2.gz RTZUCDUMNVGILP-INIZCTEOSA-N -1 3 322.792 2.858 20 0 DFADHM C/C(=C/CN[C@](C)(CO)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000825746231 601168457 /nfs/dbraw/zinc/16/84/57/601168457.db2.gz GZRCJXFAAPHZDD-LBIZBFCRSA-N -1 3 317.307 2.533 20 0 DFADHM CC(C)N(C(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])C(C)C ZINC000826044772 601203360 /nfs/dbraw/zinc/20/33/60/601203360.db2.gz LKIJZZVBPMCSMD-PBHICJAKSA-N -1 3 320.433 2.683 20 0 DFADHM CCCCCCOCCOC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821056721 607498589 /nfs/dbraw/zinc/49/85/89/607498589.db2.gz XAMPPEQASSYAAQ-UHFFFAOYSA-N -1 3 318.377 2.620 20 0 DFADHM CCCCCCOCCOC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821056721 607498591 /nfs/dbraw/zinc/49/85/91/607498591.db2.gz XAMPPEQASSYAAQ-UHFFFAOYSA-N -1 3 318.377 2.620 20 0 DFADHM CCCCCCOCCOC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821055872 607498644 /nfs/dbraw/zinc/49/86/44/607498644.db2.gz IQXKZLODGKDSRI-UHFFFAOYSA-N -1 3 318.377 2.620 20 0 DFADHM CCCCCCOCCOC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821055872 607498646 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/nfs/dbraw/zinc/82/71/73/601827173.db2.gz JBZVAGWTUZHMBM-HNNXBMFYSA-N -1 3 317.410 2.928 20 0 DFADHM CC(C)Oc1ccc(CN2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000091133521 601889294 /nfs/dbraw/zinc/88/92/94/601889294.db2.gz YUNOSNDLSGFVDU-CQSZACIVSA-N -1 3 309.431 2.866 20 0 DFADHM COc1ccc(CSCCOC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826207979 607534258 /nfs/dbraw/zinc/53/42/58/607534258.db2.gz NBJCFDFMDVVCHA-UHFFFAOYSA-N -1 3 322.434 2.924 20 0 DFADHM COc1ccc(CSCCOC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826207979 607534260 /nfs/dbraw/zinc/53/42/60/607534260.db2.gz NBJCFDFMDVVCHA-UHFFFAOYSA-N -1 3 322.434 2.924 20 0 DFADHM CC[C@H](C)c1ccc(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000263100707 601937853 /nfs/dbraw/zinc/93/78/53/601937853.db2.gz IUGTUELVDGQCCH-UGSOOPFHSA-N -1 3 318.417 2.935 20 0 DFADHM COCC[C@H](C)SCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826154636 607536055 /nfs/dbraw/zinc/53/60/55/607536055.db2.gz UKNPPYLTYPKIMJ-JTQLQIEISA-N -1 3 308.407 2.534 20 0 DFADHM COCC[C@H](C)SCc1ccc(OC)c(-c2nn[n-]n2)c1 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ZINC000826207178 607547373 /nfs/dbraw/zinc/54/73/73/607547373.db2.gz CYSNDFSTHCENLA-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COc1ccc(COc2cccnc2Cl)cc1-c1nn[n-]n1 ZINC000826207178 607547374 /nfs/dbraw/zinc/54/73/74/607547374.db2.gz CYSNDFSTHCENLA-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM O=C([O-])c1ccoc1CN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000833333396 602250181 /nfs/dbraw/zinc/25/01/81/602250181.db2.gz GFHBGWQZKIPJPC-DGCLKSJQSA-N -1 3 305.330 2.659 20 0 DFADHM O=C([O-])c1ccoc1CN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000833333398 602250346 /nfs/dbraw/zinc/25/03/46/602250346.db2.gz GFHBGWQZKIPJPC-YPMHNXCESA-N -1 3 305.330 2.659 20 0 DFADHM CN(CC1CCN(CCOc2ccccc2F)CC1)C(=O)[O-] ZINC000739665620 602387563 /nfs/dbraw/zinc/38/75/63/602387563.db2.gz NWNMSKPXFIAOLU-UHFFFAOYSA-N -1 3 310.369 2.526 20 0 DFADHM CN(C[C@H]1CCN(Cc2cc(-c3ccccc3)no2)C1)C(=O)[O-] ZINC000739665164 602533535 /nfs/dbraw/zinc/53/35/35/602533535.db2.gz LQKMQKIWQBGSCW-CYBMUJFWSA-N -1 3 315.373 2.773 20 0 DFADHM COc1ccc(CNC[C@@H](NC(=O)[O-])C(C)C)c(Cl)c1 ZINC000739902461 602790336 /nfs/dbraw/zinc/79/03/36/602790336.db2.gz INBFYTLXKNUQCP-CYBMUJFWSA-N -1 3 300.786 2.730 20 0 DFADHM CCN1CCC[C@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739455893 603039162 /nfs/dbraw/zinc/03/91/62/603039162.db2.gz PWVNJCDHTTYONW-NSHDSACASA-N -1 3 324.356 2.521 20 0 DFADHM O=C([O-])NC1(CNCc2cn3ccccc3n2)CCCCCC1 ZINC000832222804 603162550 /nfs/dbraw/zinc/16/25/50/603162550.db2.gz FKVKMPRVAUHTFB-UHFFFAOYSA-N -1 3 316.405 2.785 20 0 DFADHM COc1cccc(F)c1[C@H](C)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000829565017 603173430 /nfs/dbraw/zinc/17/34/30/603173430.db2.gz QIESYUGUYYGWIN-NWDGAFQWSA-N -1 3 310.369 2.875 20 0 DFADHM CCCN1CCC[C@@H]1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826920896 603181168 /nfs/dbraw/zinc/18/11/68/603181168.db2.gz KNCDDSWMUNMKIO-SWLSCSKDSA-N -1 3 319.405 2.828 20 0 DFADHM C[C@H](O)c1ccc(CNCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000825529034 603540394 /nfs/dbraw/zinc/54/03/94/603540394.db2.gz 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/nfs/dbraw/zinc/65/14/56/607651456.db2.gz WRBXHWZRLQSMPJ-UHFFFAOYSA-N -1 3 324.340 2.711 20 0 DFADHM COc1cc(C)ccc1OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826178403 607651458 /nfs/dbraw/zinc/65/14/58/607651458.db2.gz WRBXHWZRLQSMPJ-UHFFFAOYSA-N -1 3 324.340 2.711 20 0 DFADHM O=C([O-])N1CCc2cccc(CNCCOC3CCCC3)c21 ZINC000832086271 603855411 /nfs/dbraw/zinc/85/54/11/603855411.db2.gz DGAXNUCHHCOUCA-UHFFFAOYSA-N -1 3 304.390 2.776 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCCc2occc21 ZINC000826246842 607658399 /nfs/dbraw/zinc/65/83/99/607658399.db2.gz NCAZHWCJKFIOHM-AWEZNQCLSA-N -1 3 323.356 2.576 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCCc2occc21 ZINC000826246842 607658402 /nfs/dbraw/zinc/65/84/02/607658402.db2.gz NCAZHWCJKFIOHM-AWEZNQCLSA-N -1 3 323.356 2.576 20 0 DFADHM O=C([O-])N1CCC(CNC2(c3nccs3)CCCC2)CC1 ZINC000831879147 603918812 /nfs/dbraw/zinc/91/88/12/603918812.db2.gz SZCJDMBDZLKYHS-UHFFFAOYSA-N -1 3 309.435 2.892 20 0 DFADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1C 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CC(C)C[C@H](C)N(C)C(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC000833474252 604480811 /nfs/dbraw/zinc/48/08/11/604480811.db2.gz NWBJEFDQDYJJGS-AWEZNQCLSA-N -1 3 312.454 2.647 20 0 DFADHM CC(C)N(C(=O)CNC1(C(=O)[O-])CCCCCC1)C1CCCC1 ZINC000833495620 604481000 /nfs/dbraw/zinc/48/10/00/604481000.db2.gz LPNBZRCSYGWBDL-UHFFFAOYSA-N -1 3 324.465 2.933 20 0 DFADHM C[C@@H]1CCC[C@@H](NC(=O)CNC2(C(=O)[O-])CCCCCC2)[C@@H]1C ZINC000833611200 604481982 /nfs/dbraw/zinc/48/19/82/604481982.db2.gz WZZMEMBRKNHLPN-RBSFLKMASA-N -1 3 324.465 2.695 20 0 DFADHM O=C([O-])[C@H](c1ccccc1F)N1CCN(C2CCCCC2)CC1 ZINC000833174933 604504346 /nfs/dbraw/zinc/50/43/46/604504346.db2.gz YXBCMWJMNKESMM-KRWDZBQOSA-N -1 3 320.408 2.902 20 0 DFADHM COc1cccc(F)c1[C@@H](C)NCC1CCN(C(=O)[O-])CC1 ZINC000829565246 604516409 /nfs/dbraw/zinc/51/64/09/604516409.db2.gz SSVHPNPXPHPTHN-LLVKDONJSA-N -1 3 310.369 2.875 20 0 DFADHM C[C@@H](c1ccccn1)N(C)CCOc1cccc(C(=O)[O-])c1 ZINC000833549832 604564987 /nfs/dbraw/zinc/56/49/87/604564987.db2.gz 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ZINC000833576181 604833602 /nfs/dbraw/zinc/83/36/02/604833602.db2.gz HOSPWKXFOIKNNK-SMDDNHRTSA-N -1 3 322.430 2.908 20 0 DFADHM COc1ccc2c(c1)nccc2N1CCC(N(C)C(=O)[O-])CC1 ZINC000829515745 604892880 /nfs/dbraw/zinc/89/28/80/604892880.db2.gz MCEPSRWPUSYKEN-UHFFFAOYSA-N -1 3 315.373 2.822 20 0 DFADHM COc1ccc2c(c1)nccc2N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000829516531 604901239 /nfs/dbraw/zinc/90/12/39/604901239.db2.gz ULDCASOCVNAGMG-SMDDNHRTSA-N -1 3 315.373 2.726 20 0 DFADHM O=C([O-])[C@@H](NCc1ccc(OC(F)F)cc1)c1cccnc1 ZINC000833169446 604988517 /nfs/dbraw/zinc/98/85/17/604988517.db2.gz IXEJYTFEHZYCAO-ZDUSSCGKSA-N -1 3 308.284 2.599 20 0 DFADHM COc1ccc2c(c1)CCC[C@H]2N[C@@H](C(=O)[O-])c1cccnc1 ZINC000832493868 604997467 /nfs/dbraw/zinc/99/74/67/604997467.db2.gz XRUCPKRUPLMBEG-IAGOWNOFSA-N -1 3 312.369 2.883 20 0 DFADHM c1c2c(nc(NCC3(C4CC4)CCC3)c1-c1nnn[n-]1)CCC2 ZINC000826511907 607732620 /nfs/dbraw/zinc/73/26/20/607732620.db2.gz JDEKIYIBWHAGLH-UHFFFAOYSA-N -1 3 310.405 2.743 20 0 DFADHM c1c2c(nc(NCC3(C4CC4)CCC3)c1-c1nn[n-]n1)CCC2 ZINC000826511907 607732621 /nfs/dbraw/zinc/73/26/21/607732621.db2.gz JDEKIYIBWHAGLH-UHFFFAOYSA-N -1 3 310.405 2.743 20 0 DFADHM CC(C)(C)[C@@H](NCc1ccn(-c2c(F)cccc2F)n1)C(=O)[O-] ZINC000833423573 605076139 /nfs/dbraw/zinc/07/61/39/605076139.db2.gz CXPBCSUOPKWCTG-AWEZNQCLSA-N -1 3 323.343 2.739 20 0 DFADHM CC(C)(CC(=O)[O-])CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000833451024 605106309 /nfs/dbraw/zinc/10/63/09/605106309.db2.gz CPQVEUYRHACRCW-UHFFFAOYSA-N -1 3 324.465 2.602 20 0 DFADHM C[C@H](NCCN(C(=O)[O-])C1CCCCCC1)c1cnn(C)c1 ZINC000825495289 605114657 /nfs/dbraw/zinc/11/46/57/605114657.db2.gz CWXLPAZUFCKUNY-ZDUSSCGKSA-N -1 3 308.426 2.774 20 0 DFADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc3nsnc32)C1 ZINC000825262266 605161046 /nfs/dbraw/zinc/16/10/46/605161046.db2.gz ABNWKMYCYIMIAN-QWRGUYRKSA-N -1 3 320.418 2.559 20 0 DFADHM C[C@]1(O)CCCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833570777 605267539 /nfs/dbraw/zinc/26/75/39/605267539.db2.gz 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606138071 /nfs/dbraw/zinc/13/80/71/606138071.db2.gz RVHLRRLVSIVQSM-SNVBAGLBSA-N -1 3 321.344 2.619 20 0 DFADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)c1nc2ccccc2o1 ZINC000820275794 606138072 /nfs/dbraw/zinc/13/80/72/606138072.db2.gz RVHLRRLVSIVQSM-SNVBAGLBSA-N -1 3 321.344 2.619 20 0 DFADHM Cc1ccc([S@](=O)Cc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822267428 606156535 /nfs/dbraw/zinc/15/65/35/606156535.db2.gz SRCSZQIWXGPSME-JOCHJYFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1ccc([S@](=O)Cc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822267428 606156536 /nfs/dbraw/zinc/15/65/36/606156536.db2.gz SRCSZQIWXGPSME-JOCHJYFZSA-N -1 3 312.398 2.791 20 0 DFADHM CCOC(=O)[C@@H](CC)SCc1cc(-c2nnn[n-]2)ccc1F ZINC000821320639 606171500 /nfs/dbraw/zinc/17/15/00/606171500.db2.gz PPFSLXPYDDGGGX-GFCCVEGCSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)[C@@H](CC)SCc1cc(-c2nn[n-]n2)ccc1F ZINC000821320639 606171501 /nfs/dbraw/zinc/17/15/01/606171501.db2.gz PPFSLXPYDDGGGX-GFCCVEGCSA-N -1 3 324.381 2.581 20 0 DFADHM 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COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)cc1F ZINC000821766427 606633158 /nfs/dbraw/zinc/63/31/58/606633158.db2.gz WYDWZLMMPIFSJD-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Cn1cc([C@H](Nc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C)cn1 ZINC000822669685 606643784 /nfs/dbraw/zinc/64/37/84/606643784.db2.gz LRIGSZCMLCMDMA-AWEZNQCLSA-N -1 3 311.393 2.800 20 0 DFADHM Fc1cccc(F)c1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822791922 606657088 /nfs/dbraw/zinc/65/70/88/606657088.db2.gz NEKCHACEUNXWIL-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1cccc(F)c1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822791922 606657089 /nfs/dbraw/zinc/65/70/89/606657089.db2.gz NEKCHACEUNXWIL-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C=C1CCC1 ZINC000821699139 606666171 /nfs/dbraw/zinc/66/61/71/606666171.db2.gz DHBBUNSTJVNDRA-UHFFFAOYSA-N -1 3 320.736 2.544 20 0 DFADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C=C1CCC1 ZINC000821699139 606666172 /nfs/dbraw/zinc/66/61/72/606666172.db2.gz DHBBUNSTJVNDRA-UHFFFAOYSA-N -1 3 320.736 2.544 20 0 DFADHM C[C@@H](N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000820308414 606669232 /nfs/dbraw/zinc/66/92/32/606669232.db2.gz ULPJNRNSWOGWEJ-MRVPVSSYSA-N -1 3 323.347 2.652 20 0 DFADHM C[C@@H](N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000820308414 606669233 /nfs/dbraw/zinc/66/92/33/606669233.db2.gz ULPJNRNSWOGWEJ-MRVPVSSYSA-N -1 3 323.347 2.652 20 0 DFADHM CN(C(=O)c1sccc1-c1nnn[n-]1)C1CCC(C)(C)CC1 ZINC000821574462 606691524 /nfs/dbraw/zinc/69/15/24/606691524.db2.gz HWKDZMWYGHGOIP-UHFFFAOYSA-N -1 3 319.434 2.969 20 0 DFADHM CN(C(=O)c1sccc1-c1nn[n-]n1)C1CCC(C)(C)CC1 ZINC000821574462 606691525 /nfs/dbraw/zinc/69/15/25/606691525.db2.gz HWKDZMWYGHGOIP-UHFFFAOYSA-N -1 3 319.434 2.969 20 0 DFADHM CCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000820962296 606720468 /nfs/dbraw/zinc/72/04/68/606720468.db2.gz NNGPMCARPGWENM-UHFFFAOYSA-N -1 3 314.393 2.959 20 0 DFADHM CCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000820962296 606720469 /nfs/dbraw/zinc/72/04/69/606720469.db2.gz NNGPMCARPGWENM-UHFFFAOYSA-N -1 3 314.393 2.959 20 0 DFADHM CCOCCC1(CNc2ncccc2-c2nnn[n-]2)CCCC1 ZINC000821373609 606721310 /nfs/dbraw/zinc/72/13/10/606721310.db2.gz ISFMRDARVATDJS-UHFFFAOYSA-N -1 3 316.409 2.661 20 0 DFADHM CCOCCC1(CNc2ncccc2-c2nn[n-]n2)CCCC1 ZINC000821373609 606721311 /nfs/dbraw/zinc/72/13/11/606721311.db2.gz ISFMRDARVATDJS-UHFFFAOYSA-N -1 3 316.409 2.661 20 0 DFADHM COCCC1(CNc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC000821687155 606722887 /nfs/dbraw/zinc/72/28/87/606722887.db2.gz RBSHJPPYWSTLTG-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM Cc1cccc(C(=O)OCc2ccccc2-c2nnn[n-]2)c1F ZINC000822288907 606760210 /nfs/dbraw/zinc/76/02/10/606760210.db2.gz MSDUVHPIBPDZIX-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cccc(C(=O)OCc2ccccc2-c2nn[n-]n2)c1F ZINC000822288907 606760212 /nfs/dbraw/zinc/76/02/12/606760212.db2.gz MSDUVHPIBPDZIX-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820980666 606768178 /nfs/dbraw/zinc/76/81/78/606768178.db2.gz MJHMGQGYNOLXNK-ZWNOBZJWSA-N -1 3 300.366 2.567 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820980666 606768180 /nfs/dbraw/zinc/76/81/80/606768180.db2.gz MJHMGQGYNOLXNK-ZWNOBZJWSA-N -1 3 300.366 2.567 20 0 DFADHM CC[C@@H](C)CS[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820870459 606795850 /nfs/dbraw/zinc/79/58/50/606795850.db2.gz SUGHLZHGLCRWKE-GHMZBOCLSA-N -1 3 319.434 2.973 20 0 DFADHM CC[C@@H](C)CS[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820870459 606795851 /nfs/dbraw/zinc/79/58/51/606795851.db2.gz SUGHLZHGLCRWKE-GHMZBOCLSA-N -1 3 319.434 2.973 20 0 DFADHM CC(C)CC1(CNC(=O)c2cc(-c3nnn[n-]3)cs2)CCC1 ZINC000820062187 606811841 /nfs/dbraw/zinc/81/18/41/606811841.db2.gz IZJHUOOIIQOXLE-UHFFFAOYSA-N -1 3 319.434 2.874 20 0 DFADHM CC(C)CC1(CNC(=O)c2cc(-c3nn[n-]n3)cs2)CCC1 ZINC000820062187 606811842 /nfs/dbraw/zinc/81/18/42/606811842.db2.gz IZJHUOOIIQOXLE-UHFFFAOYSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@@H]1CCC[C@H](CCOC(=O)c2cc(-c3nnn[n-]3)cn2C)C1 ZINC000820696934 606825880 /nfs/dbraw/zinc/82/58/80/606825880.db2.gz DABFTLUGMDYYSO-VXGBXAGGSA-N -1 3 317.393 2.578 20 0 DFADHM C[C@@H]1CCC[C@H](CCOC(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC000820696934 606825882 /nfs/dbraw/zinc/82/58/82/606825882.db2.gz DABFTLUGMDYYSO-VXGBXAGGSA-N -1 3 317.393 2.578 20 0 DFADHM c1cc(CSCCCOc2cccc(-c3nnn[n-]3)c2)on1 ZINC000823762063 606841985 /nfs/dbraw/zinc/84/19/85/606841985.db2.gz GYXDYMJYVATMFR-UHFFFAOYSA-N -1 3 317.374 2.557 20 0 DFADHM c1cc(CSCCCOc2cccc(-c3nn[n-]n3)c2)on1 ZINC000823762063 606841987 /nfs/dbraw/zinc/84/19/87/606841987.db2.gz GYXDYMJYVATMFR-UHFFFAOYSA-N -1 3 317.374 2.557 20 0 DFADHM CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)CCCC1 ZINC000820950448 606842007 /nfs/dbraw/zinc/84/20/07/606842007.db2.gz NHBSQPQHCDAPSH-UHFFFAOYSA-N -1 3 316.361 2.751 20 0 DFADHM CCC1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)CCCC1 ZINC000820950448 606842008 /nfs/dbraw/zinc/84/20/08/606842008.db2.gz NHBSQPQHCDAPSH-UHFFFAOYSA-N -1 3 316.361 2.751 20 0 DFADHM CSCCCSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821970730 606849246 /nfs/dbraw/zinc/84/92/46/606849246.db2.gz RHIQRXOVJMBJOA-UHFFFAOYSA-N -1 3 310.448 2.732 20 0 DFADHM C[C@@H](Nc1ncnc2c1CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820462311 606874269 /nfs/dbraw/zinc/87/42/69/606874269.db2.gz XHBVQLZLAYHTQF-LLVKDONJSA-N -1 3 321.388 2.709 20 0 DFADHM C[C@@H](Nc1ncnc2c1CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820462311 606874271 /nfs/dbraw/zinc/87/42/71/606874271.db2.gz XHBVQLZLAYHTQF-LLVKDONJSA-N -1 3 321.388 2.709 20 0 DFADHM Cc1cc(C)cc(N(C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822196860 606887938 /nfs/dbraw/zinc/88/79/38/606887938.db2.gz ZATXIEUSFCFZBJ-QGZVFWFLSA-N -1 3 323.400 2.653 20 0 DFADHM Cc1cc(C)cc(N(C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196860 606887940 /nfs/dbraw/zinc/88/79/40/606887940.db2.gz ZATXIEUSFCFZBJ-QGZVFWFLSA-N -1 3 323.400 2.653 20 0 DFADHM Cc1cc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)on1 ZINC000822201263 606925295 /nfs/dbraw/zinc/92/52/95/606925295.db2.gz XWEHTNOWBXVENF-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM Cc1cc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)on1 ZINC000822201263 606925297 /nfs/dbraw/zinc/92/52/97/606925297.db2.gz XWEHTNOWBXVENF-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM CC(C)c1ccc(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000820192479 606936197 /nfs/dbraw/zinc/93/61/97/606936197.db2.gz PUCWBGBRQDKDLN-UHFFFAOYSA-N -1 3 310.361 2.595 20 0 DFADHM CC(C)c1ccc(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000820192479 606936198 /nfs/dbraw/zinc/93/61/98/606936198.db2.gz PUCWBGBRQDKDLN-UHFFFAOYSA-N -1 3 310.361 2.595 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ccnc(Cl)c1 ZINC000822761828 606941137 /nfs/dbraw/zinc/94/11/37/606941137.db2.gz TVUDDUILRHSWKX-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccnc(Cl)c1 ZINC000822761828 606941139 /nfs/dbraw/zinc/94/11/39/606941139.db2.gz TVUDDUILRHSWKX-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820235065 606944385 /nfs/dbraw/zinc/94/43/85/606944385.db2.gz QXEXGQYSQOJLDV-WBMJQRKESA-N -1 3 309.373 2.791 20 0 DFADHM CCCC1(CNC(=O)c2sccc2-c2nnn[n-]2)CCC1 ZINC000821033432 606958111 /nfs/dbraw/zinc/95/81/11/606958111.db2.gz ASOMNAWZJMOFGO-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM CCCC1(CNC(=O)c2sccc2-c2nn[n-]n2)CCC1 ZINC000821033432 606958112 /nfs/dbraw/zinc/95/81/12/606958112.db2.gz ASOMNAWZJMOFGO-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1C ZINC000822226453 606972340 /nfs/dbraw/zinc/97/23/40/606972340.db2.gz STLGEPVOSGCVNE-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1C ZINC000822226453 606972341 /nfs/dbraw/zinc/97/23/41/606972341.db2.gz STLGEPVOSGCVNE-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM O=C(CC1CCCC1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822941121 606990981 /nfs/dbraw/zinc/99/09/81/606990981.db2.gz QNEDPGSTPYEJDV-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(CC1CCCC1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822941121 606990983 /nfs/dbraw/zinc/99/09/83/606990983.db2.gz QNEDPGSTPYEJDV-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CC=C(C=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)CC ZINC000820825750 606992406 /nfs/dbraw/zinc/99/24/06/606992406.db2.gz CQZNRSKCECQRGX-AMJIEBNHSA-N -1 3 311.389 2.956 20 0 DFADHM CC=C(C=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)CC ZINC000820825750 606992407 /nfs/dbraw/zinc/99/24/07/606992407.db2.gz CQZNRSKCECQRGX-AMJIEBNHSA-N -1 3 311.389 2.956 20 0 DFADHM CC=C(C=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)CC ZINC000820825751 606992463 /nfs/dbraw/zinc/99/24/63/606992463.db2.gz CQZNRSKCECQRGX-NMUGZIFFSA-N -1 3 311.389 2.956 20 0 DFADHM CC=C(C=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)CC ZINC000820825751 606992464 /nfs/dbraw/zinc/99/24/64/606992464.db2.gz CQZNRSKCECQRGX-NMUGZIFFSA-N -1 3 311.389 2.956 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC000819884185 606999507 /nfs/dbraw/zinc/99/95/07/606999507.db2.gz SXIKSYWNCFHAQJ-VIFPVBQESA-N -1 3 306.341 2.731 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819884185 606999508 /nfs/dbraw/zinc/99/95/08/606999508.db2.gz SXIKSYWNCFHAQJ-VIFPVBQESA-N -1 3 306.341 2.731 20 0 DFADHM CCCN(CCC)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821100222 607009683 /nfs/dbraw/zinc/00/96/83/607009683.db2.gz WMRIQYRCHLIUQL-UHFFFAOYSA-N -1 3 319.434 2.607 20 0 DFADHM CCCN(CCC)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821100222 607009684 /nfs/dbraw/zinc/00/96/84/607009684.db2.gz WMRIQYRCHLIUQL-UHFFFAOYSA-N -1 3 319.434 2.607 20 0 DFADHM CCC[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)OCC ZINC000821026907 607009901 /nfs/dbraw/zinc/00/99/01/607009901.db2.gz GXZYJHPRKVCURG-LBPRGKRZSA-N -1 3 306.391 2.691 20 0 DFADHM CCC[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)OCC ZINC000821026907 607009903 /nfs/dbraw/zinc/00/99/03/607009903.db2.gz GXZYJHPRKVCURG-LBPRGKRZSA-N -1 3 306.391 2.691 20 0 DFADHM Cc1cccc(C)c1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822293983 607011734 /nfs/dbraw/zinc/01/17/34/607011734.db2.gz RWMUCAPPOBUAFT-UHFFFAOYSA-N -1 3 322.372 2.805 20 0 DFADHM Cc1cccc(C)c1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822293983 607011736 /nfs/dbraw/zinc/01/17/36/607011736.db2.gz RWMUCAPPOBUAFT-UHFFFAOYSA-N -1 3 322.372 2.805 20 0 DFADHM CC(C)CCNC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000820076564 607011853 /nfs/dbraw/zinc/01/18/53/607011853.db2.gz MSJPIDPWXRNTGZ-NSHDSACASA-N -1 3 319.434 2.510 20 0 DFADHM CC(C)CCNC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000820076564 607011854 /nfs/dbraw/zinc/01/18/54/607011854.db2.gz MSJPIDPWXRNTGZ-NSHDSACASA-N -1 3 319.434 2.510 20 0 DFADHM CC(C)c1nnc(CSc2cccc(-c3nnn[n-]3)c2)o1 ZINC000820206519 607012940 /nfs/dbraw/zinc/01/29/40/607012940.db2.gz OIVCNAZALSUANN-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CC(C)c1nnc(CSc2cccc(-c3nn[n-]n3)c2)o1 ZINC000820206519 607012942 /nfs/dbraw/zinc/01/29/42/607012942.db2.gz OIVCNAZALSUANN-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000820848411 607015063 /nfs/dbraw/zinc/01/50/63/607015063.db2.gz XKSMTVYLXJYFRJ-SNVBAGLBSA-N -1 3 319.434 2.652 20 0 DFADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000820848411 607015065 /nfs/dbraw/zinc/01/50/65/607015065.db2.gz XKSMTVYLXJYFRJ-SNVBAGLBSA-N -1 3 319.434 2.652 20 0 DFADHM CCCC[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000821042763 607015162 /nfs/dbraw/zinc/01/51/62/607015162.db2.gz HOECTGOTYXAHNQ-GFCCVEGCSA-N -1 3 306.391 2.691 20 0 DFADHM CCCC[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000821042763 607015163 /nfs/dbraw/zinc/01/51/63/607015163.db2.gz HOECTGOTYXAHNQ-GFCCVEGCSA-N -1 3 306.391 2.691 20 0 DFADHM Cc1cn(Cc2coc(-c3cccs3)n2)cc1-c1nnn[n-]1 ZINC000822384879 607022238 /nfs/dbraw/zinc/02/22/38/607022238.db2.gz SKZYALCDSKISNM-UHFFFAOYSA-N -1 3 312.358 2.741 20 0 DFADHM Cc1cn(Cc2coc(-c3cccs3)n2)cc1-c1nn[n-]n1 ZINC000822384879 607022239 /nfs/dbraw/zinc/02/22/39/607022239.db2.gz SKZYALCDSKISNM-UHFFFAOYSA-N -1 3 312.358 2.741 20 0 DFADHM c1ccc2c(c1)OC[C@@H](CCNc1ccc(-c3nn[n-]n3)cc1)O2 ZINC000823802518 607039851 /nfs/dbraw/zinc/03/98/51/607039851.db2.gz REVGJRQNYNBXOF-CQSZACIVSA-N -1 3 323.356 2.509 20 0 DFADHM C[C@@H](O)C[C@H](CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820473493 607046139 /nfs/dbraw/zinc/04/61/39/607046139.db2.gz DYYUPNISSDGKLU-CZUORRHYSA-N -1 3 323.400 2.833 20 0 DFADHM CCC(CC)(CC)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820881556 607048683 /nfs/dbraw/zinc/04/86/83/607048683.db2.gz AZRMENWVQMUQMB-UHFFFAOYSA-N -1 3 301.394 2.813 20 0 DFADHM CCC(CC)(CC)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820881556 607048685 /nfs/dbraw/zinc/04/86/85/607048685.db2.gz AZRMENWVQMUQMB-UHFFFAOYSA-N -1 3 301.394 2.813 20 0 DFADHM CC=C(C=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)CC ZINC000820825868 607050957 /nfs/dbraw/zinc/05/09/57/607050957.db2.gz GHGFVOQQQCDBGR-LHXRZLQGSA-N -1 3 311.389 2.956 20 0 DFADHM CC=C(C=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)CC ZINC000820825868 607050958 /nfs/dbraw/zinc/05/09/58/607050958.db2.gz GHGFVOQQQCDBGR-LHXRZLQGSA-N -1 3 311.389 2.956 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820683637 607090246 /nfs/dbraw/zinc/09/02/46/607090246.db2.gz FDEAXDYJCYRZCN-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820683637 607090247 /nfs/dbraw/zinc/09/02/47/607090247.db2.gz FDEAXDYJCYRZCN-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM CCCC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821035008 607114363 /nfs/dbraw/zinc/11/43/63/607114363.db2.gz YITKPVPESPHUHZ-UHFFFAOYSA-N -1 3 300.366 2.569 20 0 DFADHM CCCC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821035008 607114365 /nfs/dbraw/zinc/11/43/65/607114365.db2.gz YITKPVPESPHUHZ-UHFFFAOYSA-N -1 3 300.366 2.569 20 0 DFADHM CC=C(C=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)CC ZINC000820832852 607119268 /nfs/dbraw/zinc/11/92/68/607119268.db2.gz OTCQNBUQKLOMNW-GQHUZBHDSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)CC ZINC000820832852 607119270 /nfs/dbraw/zinc/11/92/70/607119270.db2.gz OTCQNBUQKLOMNW-GQHUZBHDSA-N -1 3 316.336 2.962 20 0 DFADHM CC(C)c1noc(CNc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000820211522 607125527 /nfs/dbraw/zinc/12/55/27/607125527.db2.gz QOKUVURQFKHCAG-UHFFFAOYSA-N -1 3 319.756 2.639 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOC2(CCC2)C1 ZINC000822744212 607133234 /nfs/dbraw/zinc/13/32/34/607133234.db2.gz OLVPBCAZOHUZDH-LLVKDONJSA-N -1 3 303.341 2.519 20 0 DFADHM Fc1ccc(F)c(COc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822775328 607137303 /nfs/dbraw/zinc/13/73/03/607137303.db2.gz WETHAEYPXKLGOD-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(F)c(COc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822775328 607137304 /nfs/dbraw/zinc/13/73/04/607137304.db2.gz WETHAEYPXKLGOD-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CCCC1(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821033610 607137577 /nfs/dbraw/zinc/13/75/77/607137577.db2.gz CHQIQOIFXHPPFZ-UHFFFAOYSA-N -1 3 318.356 2.708 20 0 DFADHM CCCC1(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821033610 607137579 /nfs/dbraw/zinc/13/75/79/607137579.db2.gz CHQIQOIFXHPPFZ-UHFFFAOYSA-N -1 3 318.356 2.708 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCC(F)(F)C1 ZINC000823359157 607142108 /nfs/dbraw/zinc/14/21/08/607142108.db2.gz JHQNJAFUEAGPNG-NSHDSACASA-N -1 3 322.319 2.566 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCC(F)(F)C1 ZINC000823359157 607142109 /nfs/dbraw/zinc/14/21/09/607142109.db2.gz JHQNJAFUEAGPNG-NSHDSACASA-N -1 3 322.319 2.566 20 0 DFADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(C)CC1 ZINC000820086816 607153306 /nfs/dbraw/zinc/15/33/06/607153306.db2.gz GCIKAJUIEBMZHV-UHFFFAOYSA-N -1 3 313.405 2.651 20 0 DFADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(C)CC1 ZINC000820086816 607153308 /nfs/dbraw/zinc/15/33/08/607153308.db2.gz GCIKAJUIEBMZHV-UHFFFAOYSA-N -1 3 313.405 2.651 20 0 DFADHM CC(C)c1nnc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)o1 ZINC000820206592 607171899 /nfs/dbraw/zinc/17/18/99/607171899.db2.gz RKUJVFAGSRPNGX-UHFFFAOYSA-N -1 3 319.756 2.639 20 0 DFADHM CC(C)c1nnc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)o1 ZINC000820206592 607171900 /nfs/dbraw/zinc/17/19/00/607171900.db2.gz RKUJVFAGSRPNGX-UHFFFAOYSA-N -1 3 319.756 2.639 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1(C2CC2)CC1 ZINC000823319634 607196941 /nfs/dbraw/zinc/19/69/41/607196941.db2.gz WNCZLXVRVZGZLF-UHFFFAOYSA-N -1 3 318.768 2.584 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1(C2CC2)CC1 ZINC000823319634 607196942 /nfs/dbraw/zinc/19/69/42/607196942.db2.gz WNCZLXVRVZGZLF-UHFFFAOYSA-N -1 3 318.768 2.584 20 0 DFADHM CC1(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC000820623099 607199159 /nfs/dbraw/zinc/19/91/59/607199159.db2.gz FDCXMAHQNWYBDL-UHFFFAOYSA-N -1 3 320.784 2.974 20 0 DFADHM CC1(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC000820623099 607199160 /nfs/dbraw/zinc/19/91/60/607199160.db2.gz FDCXMAHQNWYBDL-UHFFFAOYSA-N -1 3 320.784 2.974 20 0 DFADHM CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820978862 607204344 /nfs/dbraw/zinc/20/43/44/607204344.db2.gz DPJZOMYXEAOWBU-SECBINFHSA-N -1 3 320.784 2.784 20 0 DFADHM CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820978862 607204345 /nfs/dbraw/zinc/20/43/45/607204345.db2.gz DPJZOMYXEAOWBU-SECBINFHSA-N -1 3 320.784 2.784 20 0 DFADHM CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821034963 607204363 /nfs/dbraw/zinc/20/43/63/607204363.db2.gz XOJRANNONDTKPJ-PRHODGIISA-N -1 3 320.784 2.830 20 0 DFADHM CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821034963 607204364 /nfs/dbraw/zinc/20/43/64/607204364.db2.gz XOJRANNONDTKPJ-PRHODGIISA-N -1 3 320.784 2.830 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2cccc(Cl)c2)n1 ZINC000822214989 607226632 /nfs/dbraw/zinc/22/66/32/607226632.db2.gz HJAQTDWYDPORTL-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2cccc(Cl)c2)n1 ZINC000822214989 607226633 /nfs/dbraw/zinc/22/66/33/607226633.db2.gz HJAQTDWYDPORTL-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000819783410 607231810 /nfs/dbraw/zinc/23/18/10/607231810.db2.gz WXYDJGISWNCWPE-NSHDSACASA-N -1 3 315.377 2.591 20 0 DFADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000819783410 607231811 /nfs/dbraw/zinc/23/18/11/607231811.db2.gz WXYDJGISWNCWPE-NSHDSACASA-N -1 3 315.377 2.591 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1CC12CCC2 ZINC000823313859 607242649 /nfs/dbraw/zinc/24/26/49/607242649.db2.gz KIRCIQIWJWJFAI-SECBINFHSA-N -1 3 303.753 2.649 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CC12CCC2 ZINC000823313859 607242650 /nfs/dbraw/zinc/24/26/50/607242650.db2.gz KIRCIQIWJWJFAI-SECBINFHSA-N -1 3 303.753 2.649 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000823450075 607248226 /nfs/dbraw/zinc/24/82/26/607248226.db2.gz IXESXGHPXULUAY-UHFFFAOYSA-N -1 3 324.724 2.940 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000823450075 607248227 /nfs/dbraw/zinc/24/82/27/607248227.db2.gz IXESXGHPXULUAY-UHFFFAOYSA-N -1 3 324.724 2.940 20 0 DFADHM C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c2ccccc21 ZINC000824919352 607775173 /nfs/dbraw/zinc/77/51/73/607775173.db2.gz UJHHXPHBKLFUHG-IINYFYTJSA-N -1 3 322.372 2.563 20 0 DFADHM C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c2ccccc21 ZINC000824919352 607775174 /nfs/dbraw/zinc/77/51/74/607775174.db2.gz UJHHXPHBKLFUHG-IINYFYTJSA-N -1 3 322.372 2.563 20 0 DFADHM Cc1ccccc1CCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826306529 607789462 /nfs/dbraw/zinc/78/94/62/607789462.db2.gz CCRVEQPEPNTYAK-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM Cc1ccccc1CCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826306529 607789463 /nfs/dbraw/zinc/78/94/63/607789463.db2.gz CCRVEQPEPNTYAK-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CC1(c2ccccc2)CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000824843279 607809804 /nfs/dbraw/zinc/80/98/04/607809804.db2.gz CIONJECEKWPQIT-UHFFFAOYSA-N -1 3 320.400 2.820 20 0 DFADHM CC1(c2ccccc2)CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000824843279 607809805 /nfs/dbraw/zinc/80/98/05/607809805.db2.gz CIONJECEKWPQIT-UHFFFAOYSA-N -1 3 320.400 2.820 20 0 DFADHM CC[C@H](C)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825067104 607832554 /nfs/dbraw/zinc/83/25/54/607832554.db2.gz HOIXYMZQCFZZOJ-LURJTMIESA-N -1 3 314.176 2.702 20 0 DFADHM CC[C@H](C)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825067104 607832555 /nfs/dbraw/zinc/83/25/55/607832555.db2.gz HOIXYMZQCFZZOJ-LURJTMIESA-N -1 3 314.176 2.702 20 0 DFADHM Cc1nonc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826340379 607844657 /nfs/dbraw/zinc/84/46/57/607844657.db2.gz VWNQLUYBYJRKDR-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM Cc1nonc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826340379 607844658 /nfs/dbraw/zinc/84/46/58/607844658.db2.gz VWNQLUYBYJRKDR-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM Cc1ccccc1[C@H](O)COc1ccc(-c2nn[n-]n2)cc1C ZINC000826255249 607875613 /nfs/dbraw/zinc/87/56/13/607875613.db2.gz QFWQACVEBAFXLZ-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Fc1cc(Br)ccc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826372107 607891098 /nfs/dbraw/zinc/89/10/98/607891098.db2.gz HXCJDYLIFJFTCS-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM Fc1cc(Br)ccc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826372107 607891099 /nfs/dbraw/zinc/89/10/99/607891099.db2.gz HXCJDYLIFJFTCS-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM c1c(CSC2CCOCC2)c(-c2nnn[n-]2)c2ccccn12 ZINC000826525099 607894151 /nfs/dbraw/zinc/89/41/51/607894151.db2.gz WDUZSQSTPBMDHZ-UHFFFAOYSA-N -1 3 315.402 2.532 20 0 DFADHM c1c(CSC2CCOCC2)c(-c2nn[n-]n2)c2ccccn12 ZINC000826525099 607894152 /nfs/dbraw/zinc/89/41/52/607894152.db2.gz WDUZSQSTPBMDHZ-UHFFFAOYSA-N -1 3 315.402 2.532 20 0 DFADHM CC(C)Oc1cccc(CN(C)c2ncccc2-c2nnn[n-]2)c1 ZINC000824334618 607903723 /nfs/dbraw/zinc/90/37/23/607903723.db2.gz ZGBJXOHUWXYFBG-UHFFFAOYSA-N -1 3 324.388 2.685 20 0 DFADHM CC(C)Oc1cccc(CN(C)c2ncccc2-c2nn[n-]n2)c1 ZINC000824334618 607903724 /nfs/dbraw/zinc/90/37/24/607903724.db2.gz ZGBJXOHUWXYFBG-UHFFFAOYSA-N -1 3 324.388 2.685 20 0 DFADHM CCN(Cc1nccc(C)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825443786 607921584 /nfs/dbraw/zinc/92/15/84/607921584.db2.gz GBLIFVBHEMSUEH-ZDUSSCGKSA-N -1 3 323.404 2.548 20 0 DFADHM CCN(Cc1nccc(C)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825443786 607921585 /nfs/dbraw/zinc/92/15/85/607921585.db2.gz GBLIFVBHEMSUEH-ZDUSSCGKSA-N -1 3 323.404 2.548 20 0 DFADHM CC(C)(C)c1nccc(N2CCc3ccc(-c4nnn[n-]4)cc32)n1 ZINC000824141413 607935328 /nfs/dbraw/zinc/93/53/28/607935328.db2.gz HAKNSAQXPCZNAF-UHFFFAOYSA-N -1 3 321.388 2.648 20 0 DFADHM CC(C)(C)c1nccc(N2CCc3ccc(-c4nn[n-]n4)cc32)n1 ZINC000824141413 607935329 /nfs/dbraw/zinc/93/53/29/607935329.db2.gz HAKNSAQXPCZNAF-UHFFFAOYSA-N -1 3 321.388 2.648 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CC=C(C(F)(F)F)CC1 ZINC000826371966 607936087 /nfs/dbraw/zinc/93/60/87/607936087.db2.gz AXAPQFKAILBVCJ-UHFFFAOYSA-N -1 3 313.258 2.705 20 0 DFADHM c1ccc2c(c1)ncnc2N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826523284 607936455 /nfs/dbraw/zinc/93/64/55/607936455.db2.gz HNPBPGRHGZWOKD-UHFFFAOYSA-N -1 3 315.340 2.504 20 0 DFADHM c1ccc2c(c1)ncnc2N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826523284 607936456 /nfs/dbraw/zinc/93/64/56/607936456.db2.gz HNPBPGRHGZWOKD-UHFFFAOYSA-N -1 3 315.340 2.504 20 0 DFADHM CS[C@H](C)CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826224983 607945640 /nfs/dbraw/zinc/94/56/40/607945640.db2.gz QNXJRYWCVNKZJC-ZJUUUORDSA-N -1 3 306.391 2.613 20 0 DFADHM CS[C@H](C)CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826224983 607945641 /nfs/dbraw/zinc/94/56/41/607945641.db2.gz QNXJRYWCVNKZJC-ZJUUUORDSA-N -1 3 306.391 2.613 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824899989 607947930 /nfs/dbraw/zinc/94/79/30/607947930.db2.gz RCUAIIKEFBJLRA-ZGSOTFDTSA-N -1 3 309.373 2.502 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824899989 607947931 /nfs/dbraw/zinc/94/79/31/607947931.db2.gz RCUAIIKEFBJLRA-ZGSOTFDTSA-N -1 3 309.373 2.502 20 0 DFADHM Cc1cc(C)nc(Oc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000826265470 607966807 /nfs/dbraw/zinc/96/68/07/607966807.db2.gz AEQZGVQLKBSCEQ-UHFFFAOYSA-N -1 3 302.725 2.719 20 0 DFADHM Cc1cc(C)nc(Oc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000826265470 607966808 /nfs/dbraw/zinc/96/68/08/607966808.db2.gz AEQZGVQLKBSCEQ-UHFFFAOYSA-N -1 3 302.725 2.719 20 0 DFADHM COc1ccc(C[C@@H](C)CNc2ncccc2-c2nnn[n-]2)cc1 ZINC000826191880 607968595 /nfs/dbraw/zinc/96/85/95/607968595.db2.gz SKDDIJVBAITEMV-GFCCVEGCSA-N -1 3 324.388 2.561 20 0 DFADHM COc1ccc(C[C@@H](C)CNc2ncccc2-c2nn[n-]n2)cc1 ZINC000826191880 607968596 /nfs/dbraw/zinc/96/85/96/607968596.db2.gz SKDDIJVBAITEMV-GFCCVEGCSA-N -1 3 324.388 2.561 20 0 DFADHM CCCn1cc(-c2nc3cc(-c4nnn[n-]4)ccc3n2CC)cn1 ZINC000825356817 607974848 /nfs/dbraw/zinc/97/48/48/607974848.db2.gz LFGPVFMWOVPBHB-UHFFFAOYSA-N -1 3 322.376 2.510 20 0 DFADHM CCCn1cc(-c2nc3cc(-c4nn[n-]n4)ccc3n2CC)cn1 ZINC000825356817 607974849 /nfs/dbraw/zinc/97/48/49/607974849.db2.gz LFGPVFMWOVPBHB-UHFFFAOYSA-N -1 3 322.376 2.510 20 0 DFADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC12CCCCC2 ZINC000826473502 608009740 /nfs/dbraw/zinc/00/97/40/608009740.db2.gz ALWLPGCEXMNSDP-UHFFFAOYSA-N -1 3 311.389 2.806 20 0 DFADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC12CCCCC2 ZINC000826473502 608009741 /nfs/dbraw/zinc/00/97/41/608009741.db2.gz ALWLPGCEXMNSDP-UHFFFAOYSA-N -1 3 311.389 2.806 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)c1scnc1C1CC1 ZINC000826461057 608024913 /nfs/dbraw/zinc/02/49/13/608024913.db2.gz DOTANOLGNSKYPF-UHFFFAOYSA-N -1 3 318.387 2.514 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)c1scnc1C1CC1 ZINC000826461057 608024914 /nfs/dbraw/zinc/02/49/14/608024914.db2.gz DOTANOLGNSKYPF-UHFFFAOYSA-N -1 3 318.387 2.514 20 0 DFADHM CCC(CC)[C@H](C)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000825095553 608059717 /nfs/dbraw/zinc/05/97/17/608059717.db2.gz IRUGIGBHWMEIMF-NSHDSACASA-N -1 3 302.378 2.982 20 0 DFADHM CCC(CC)[C@H](C)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000825095553 608059718 /nfs/dbraw/zinc/05/97/18/608059718.db2.gz IRUGIGBHWMEIMF-NSHDSACASA-N -1 3 302.378 2.982 20 0 DFADHM COc1cc(CSc2ccc(-c3nnn[n-]3)cc2F)ccn1 ZINC000826180159 608097062 /nfs/dbraw/zinc/09/70/62/608097062.db2.gz VAVKZIGZYMZTIU-UHFFFAOYSA-N -1 3 317.349 2.702 20 0 DFADHM COc1cc(CSc2ccc(-c3nn[n-]n3)cc2F)ccn1 ZINC000826180159 608097063 /nfs/dbraw/zinc/09/70/63/608097063.db2.gz VAVKZIGZYMZTIU-UHFFFAOYSA-N -1 3 317.349 2.702 20 0 DFADHM CCC[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)C(C)C ZINC000825225078 608119897 /nfs/dbraw/zinc/11/98/97/608119897.db2.gz KTDNFFFZUMQIBZ-LBPRGKRZSA-N -1 3 317.393 2.886 20 0 DFADHM CCC[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)C(C)C ZINC000825225078 608119898 /nfs/dbraw/zinc/11/98/98/608119898.db2.gz KTDNFFFZUMQIBZ-LBPRGKRZSA-N -1 3 317.393 2.886 20 0 DFADHM C[C@H](C[C@H](O)c1ccco1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824393609 608123286 /nfs/dbraw/zinc/12/32/86/608123286.db2.gz UCIGVNXRZPBJRK-RNCFNFMXSA-N -1 3 317.324 2.523 20 0 DFADHM C[C@H](C[C@H](O)c1ccco1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824393609 608123287 /nfs/dbraw/zinc/12/32/87/608123287.db2.gz UCIGVNXRZPBJRK-RNCFNFMXSA-N -1 3 317.324 2.523 20 0 DFADHM Cc1ccoc1CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826315708 608136891 /nfs/dbraw/zinc/13/68/91/608136891.db2.gz QTUMNSXCKSHZIO-SNVBAGLBSA-N -1 3 301.325 2.758 20 0 DFADHM Cc1ccoc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826315708 608136892 /nfs/dbraw/zinc/13/68/92/608136892.db2.gz QTUMNSXCKSHZIO-SNVBAGLBSA-N -1 3 301.325 2.758 20 0 DFADHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824080080 608149641 /nfs/dbraw/zinc/14/96/41/608149641.db2.gz UGZJLZQKBLQTAX-UONOGXRCSA-N -1 3 301.394 2.872 20 0 DFADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CC[C@@H](C2CC2)C1 ZINC000826522608 608151966 /nfs/dbraw/zinc/15/19/66/608151966.db2.gz HZDFGQZBQQAOJF-GFCCVEGCSA-N -1 3 306.373 2.651 20 0 DFADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CC[C@@H](C2CC2)C1 ZINC000826522608 608151967 /nfs/dbraw/zinc/15/19/67/608151967.db2.gz HZDFGQZBQQAOJF-GFCCVEGCSA-N -1 3 306.373 2.651 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CC12CCCCC2 ZINC000826246685 608164646 /nfs/dbraw/zinc/16/46/46/608164646.db2.gz JLFBYCDNPWBCIF-AWEZNQCLSA-N -1 3 311.389 2.628 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CC12CCCCC2 ZINC000826246685 608164647 /nfs/dbraw/zinc/16/46/47/608164647.db2.gz 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/nfs/dbraw/zinc/19/51/89/608195189.db2.gz GRMCHOSCWZWRGQ-LBPRGKRZSA-N -1 3 314.389 2.921 20 0 DFADHM Cc1ccnc(Cl)c1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826308945 608206514 /nfs/dbraw/zinc/20/65/14/608206514.db2.gz XNWMSZCJHCKTBB-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1ccnc(Cl)c1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826308945 608206515 /nfs/dbraw/zinc/20/65/15/608206515.db2.gz XNWMSZCJHCKTBB-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cn1 ZINC000826288487 608223816 /nfs/dbraw/zinc/22/38/16/608223816.db2.gz JCGURGYWRNAMTI-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cn1 ZINC000826288487 608223817 /nfs/dbraw/zinc/22/38/17/608223817.db2.gz JCGURGYWRNAMTI-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM CC(C)[C@@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000824224642 608231463 /nfs/dbraw/zinc/23/14/63/608231463.db2.gz PIFAXHLUAZUUEX-CQSZACIVSA-N -1 3 308.389 2.897 20 0 DFADHM CC(C)[C@@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 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608273383 /nfs/dbraw/zinc/27/33/83/608273383.db2.gz RWQJFYNTKODKCM-GFCCVEGCSA-N -1 3 312.421 2.767 20 0 DFADHM CC[C@@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000825204517 608273385 /nfs/dbraw/zinc/27/33/85/608273385.db2.gz RWQJFYNTKODKCM-GFCCVEGCSA-N -1 3 312.421 2.767 20 0 DFADHM CCCOc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000825339281 608275406 /nfs/dbraw/zinc/27/54/06/608275406.db2.gz VKYVIWUHAYRAFE-UHFFFAOYSA-N -1 3 324.388 2.971 20 0 DFADHM CCCOc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000825339281 608275408 /nfs/dbraw/zinc/27/54/08/608275408.db2.gz VKYVIWUHAYRAFE-UHFFFAOYSA-N -1 3 324.388 2.971 20 0 DFADHM Cc1ccc(O[C@@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000826292536 608291697 /nfs/dbraw/zinc/29/16/97/608291697.db2.gz YNZGHJQMHYPJPR-ZDUSSCGKSA-N -1 3 324.388 2.758 20 0 DFADHM Cc1ccc(O[C@@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000826292536 608291699 /nfs/dbraw/zinc/29/16/99/608291699.db2.gz YNZGHJQMHYPJPR-ZDUSSCGKSA-N -1 3 324.388 2.758 20 0 DFADHM CS[C@H](C)CCC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826225941 608292722 /nfs/dbraw/zinc/29/27/22/608292722.db2.gz OGPXHNKZMZCXFT-GHMZBOCLSA-N -1 3 319.434 2.576 20 0 DFADHM CS[C@H](C)CCC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826225941 608292723 /nfs/dbraw/zinc/29/27/23/608292723.db2.gz OGPXHNKZMZCXFT-GHMZBOCLSA-N -1 3 319.434 2.576 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2cc(F)ccc2F)n1 ZINC000826276451 608293861 /nfs/dbraw/zinc/29/38/61/608293861.db2.gz HNLQOYPPSXTVMX-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2cc(F)ccc2F)n1 ZINC000826276451 608293862 /nfs/dbraw/zinc/29/38/62/608293862.db2.gz HNLQOYPPSXTVMX-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM c1cc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC000826517039 608297253 /nfs/dbraw/zinc/29/72/53/608297253.db2.gz NFEXWOJQUBBTGY-KBPBESRZSA-N -1 3 313.405 2.510 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2c(C)cccc2C)n1 ZINC000826276753 608299141 /nfs/dbraw/zinc/29/91/41/608299141.db2.gz 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ZINC000825106508 609321568 /nfs/dbraw/zinc/32/15/68/609321568.db2.gz FDXOBGHXDGWKLC-SWLSCSKDSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000825106508 609321570 /nfs/dbraw/zinc/32/15/70/609321570.db2.gz FDXOBGHXDGWKLC-SWLSCSKDSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000825107857 609322094 /nfs/dbraw/zinc/32/20/94/609322094.db2.gz SBCHJTSRLXCLDN-KBPBESRZSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000825107857 609322096 /nfs/dbraw/zinc/32/20/96/609322096.db2.gz SBCHJTSRLXCLDN-KBPBESRZSA-N -1 3 316.409 2.657 20 0 DFADHM COCC[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)o1 ZINC000826155039 609322694 /nfs/dbraw/zinc/32/26/94/609322694.db2.gz DOXHGBIMYAUTFF-AWEZNQCLSA-N -1 3 313.361 2.958 20 0 DFADHM CN(C[C@H]1CCCC[C@H]1O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825909479 609325839 /nfs/dbraw/zinc/32/58/39/609325839.db2.gz YWCZLJQLFJWCKD-QMTHXVAHSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@H]1CCCC[C@H]1O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825909479 609325841 /nfs/dbraw/zinc/32/58/41/609325841.db2.gz YWCZLJQLFJWCKD-QMTHXVAHSA-N -1 3 321.812 2.507 20 0 DFADHM Fc1ccc(CCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826373916 609326412 /nfs/dbraw/zinc/32/64/12/609326412.db2.gz DUBOTZXMPCEWNR-UHFFFAOYSA-N -1 3 302.284 2.766 20 0 DFADHM Fc1ccc(CCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826373916 609326413 /nfs/dbraw/zinc/32/64/13/609326413.db2.gz DUBOTZXMPCEWNR-UHFFFAOYSA-N -1 3 302.284 2.766 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CCC(C)(C)C1 ZINC000826174240 609371308 /nfs/dbraw/zinc/37/13/08/609371308.db2.gz OYBVXPVMWSCCPN-LLVKDONJSA-N -1 3 316.361 2.607 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CCC(C)(C)C1 ZINC000826174240 609371312 /nfs/dbraw/zinc/37/13/12/609371312.db2.gz OYBVXPVMWSCCPN-LLVKDONJSA-N -1 3 316.361 2.607 20 0 DFADHM COCCC[C@@H](C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826155620 609386535 /nfs/dbraw/zinc/38/65/35/609386535.db2.gz WHFWIBNXLJSYQR-VXGBXAGGSA-N -1 3 318.377 2.534 20 0 DFADHM COCCC[C@@H](C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826155620 609386537 /nfs/dbraw/zinc/38/65/37/609386537.db2.gz WHFWIBNXLJSYQR-VXGBXAGGSA-N -1 3 318.377 2.534 20 0 DFADHM C[C@H]1CC[C@@]2(CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)C1 ZINC000824919534 609389884 /nfs/dbraw/zinc/38/98/84/609389884.db2.gz WEUYVQZVAKWKNS-KPZWWZAWSA-N -1 3 324.432 2.767 20 0 DFADHM C[C@H]1CC[C@@]2(CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)C1 ZINC000824919534 609389888 /nfs/dbraw/zinc/38/98/88/609389888.db2.gz WEUYVQZVAKWKNS-KPZWWZAWSA-N -1 3 324.432 2.767 20 0 DFADHM CC1(C)CC[C@@H](C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824796913 609394454 /nfs/dbraw/zinc/39/44/54/609394454.db2.gz USMPBNLWBPDERF-CYBMUJFWSA-N -1 3 311.389 2.582 20 0 DFADHM CC1(C)CC[C@@H](C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824796913 609394455 /nfs/dbraw/zinc/39/44/55/609394455.db2.gz USMPBNLWBPDERF-CYBMUJFWSA-N -1 3 311.389 2.582 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCc2ccccc2C1 ZINC000824019428 609417796 /nfs/dbraw/zinc/41/77/96/609417796.db2.gz ACIUZNAPACEIQK-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCc2ccccc2C1 ZINC000824019428 609417798 /nfs/dbraw/zinc/41/77/98/609417798.db2.gz ACIUZNAPACEIQK-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM Clc1ccc(NCCCCn2ccnc2)c(-c2nnn[n-]2)c1 ZINC000826352817 609428659 /nfs/dbraw/zinc/42/86/59/609428659.db2.gz PCWLIDBXGNQVPH-UHFFFAOYSA-N -1 3 317.784 2.609 20 0 DFADHM Clc1ccc(NCCCCn2ccnc2)c(-c2nn[n-]n2)c1 ZINC000826352817 609428660 /nfs/dbraw/zinc/42/86/60/609428660.db2.gz PCWLIDBXGNQVPH-UHFFFAOYSA-N -1 3 317.784 2.609 20 0 DFADHM CN(C)c1cc(CSc2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000825875181 609435399 /nfs/dbraw/zinc/43/53/99/609435399.db2.gz CKBDYSBAXDLHPG-UHFFFAOYSA-N -1 3 312.402 2.620 20 0 DFADHM CN(C)c1cc(CSc2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000825875181 609435400 /nfs/dbraw/zinc/43/54/00/609435400.db2.gz CKBDYSBAXDLHPG-UHFFFAOYSA-N -1 3 312.402 2.620 20 0 DFADHM CCCCNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825290622 609445937 /nfs/dbraw/zinc/44/59/37/609445937.db2.gz BQHWCAKISKVAMF-UHFFFAOYSA-N -1 3 317.784 2.918 20 0 DFADHM C[C@@H](Nc1nc2ccccn2c1-c1nnn[n-]1)c1cccs1 ZINC000824663227 609455792 /nfs/dbraw/zinc/45/57/92/609455792.db2.gz WWFJCEYIGVBTMB-SECBINFHSA-N -1 3 311.374 2.749 20 0 DFADHM C[C@@H](Nc1nc2ccccn2c1-c1nn[n-]n1)c1cccs1 ZINC000824663227 609455794 /nfs/dbraw/zinc/45/57/94/609455794.db2.gz WWFJCEYIGVBTMB-SECBINFHSA-N -1 3 311.374 2.749 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccsc1 ZINC000825632425 609477252 /nfs/dbraw/zinc/47/72/52/609477252.db2.gz REFJXSPLGRVVQP-UHFFFAOYSA-N -1 3 301.375 2.939 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccsc1 ZINC000825632425 609477253 /nfs/dbraw/zinc/47/72/53/609477253.db2.gz REFJXSPLGRVVQP-UHFFFAOYSA-N -1 3 301.375 2.939 20 0 DFADHM Fc1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1F ZINC000826377233 609477609 /nfs/dbraw/zinc/47/76/09/609477609.db2.gz JUMBNIQGQURVED-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1F ZINC000826377233 609477610 /nfs/dbraw/zinc/47/76/10/609477610.db2.gz JUMBNIQGQURVED-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CC(=O)Nc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000823999446 609477873 /nfs/dbraw/zinc/47/78/73/609477873.db2.gz ARFLCGWNXJHKBC-UHFFFAOYSA-N -1 3 322.372 2.746 20 0 DFADHM CC(=O)Nc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000823999446 609477874 /nfs/dbraw/zinc/47/78/74/609477874.db2.gz ARFLCGWNXJHKBC-UHFFFAOYSA-N -1 3 322.372 2.746 20 0 DFADHM CC(=O)Nc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000824000147 609484889 /nfs/dbraw/zinc/48/48/89/609484889.db2.gz WICMQRIXOKFIDD-UHFFFAOYSA-N -1 3 322.372 2.746 20 0 DFADHM CC(=O)Nc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000824000147 609484891 /nfs/dbraw/zinc/48/48/91/609484891.db2.gz WICMQRIXOKFIDD-UHFFFAOYSA-N -1 3 322.372 2.746 20 0 DFADHM Cc1cccc2ncc(CNc3cccc(-c4nnn[n-]4)c3C)n21 ZINC000826242395 609485762 /nfs/dbraw/zinc/48/57/62/609485762.db2.gz MXQKMZVEQZARIZ-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1cccc2ncc(CNc3cccc(-c4nn[n-]n4)c3C)n21 ZINC000826242395 609485764 /nfs/dbraw/zinc/48/57/64/609485764.db2.gz MXQKMZVEQZARIZ-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1c(NCc2cccc3c2OCCO3)cccc1-c1nnn[n-]1 ZINC000826242111 609485844 /nfs/dbraw/zinc/48/58/44/609485844.db2.gz AAKFVKDLVPRPDD-UHFFFAOYSA-N -1 3 323.356 2.558 20 0 DFADHM Cc1c(NCc2cccc3c2OCCO3)cccc1-c1nn[n-]n1 ZINC000826242111 609485845 /nfs/dbraw/zinc/48/58/45/609485845.db2.gz AAKFVKDLVPRPDD-UHFFFAOYSA-N -1 3 323.356 2.558 20 0 DFADHM Cc1c(NCc2cccc3c2OCO3)cccc1-c1nnn[n-]1 ZINC000826242503 609486626 /nfs/dbraw/zinc/48/66/26/609486626.db2.gz RSKHJTVKRDVIFG-UHFFFAOYSA-N -1 3 309.329 2.516 20 0 DFADHM Cc1c(NCc2cccc3c2OCO3)cccc1-c1nn[n-]n1 ZINC000826242503 609486627 /nfs/dbraw/zinc/48/66/27/609486627.db2.gz RSKHJTVKRDVIFG-UHFFFAOYSA-N -1 3 309.329 2.516 20 0 DFADHM CCOC(=O)Nc1ccc(NCC(C)(C)C)cc1-c1nnn[n-]1 ZINC000825552654 609487658 /nfs/dbraw/zinc/48/76/58/609487658.db2.gz CEZAKYNYZMBKOA-UHFFFAOYSA-N -1 3 318.381 2.893 20 0 DFADHM CCOC(=O)Nc1ccc(NCC(C)(C)C)cc1-c1nn[n-]n1 ZINC000825552654 609487660 /nfs/dbraw/zinc/48/76/60/609487660.db2.gz CEZAKYNYZMBKOA-UHFFFAOYSA-N -1 3 318.381 2.893 20 0 DFADHM CCc1nnc(CSc2ccccc2-c2nnn[n-]2)s1 ZINC000825767944 609489831 /nfs/dbraw/zinc/48/98/31/609489831.db2.gz VJVSGYBMZDRKLB-UHFFFAOYSA-N -1 3 304.404 2.573 20 0 DFADHM CCc1nnc(CSc2ccccc2-c2nn[n-]n2)s1 ZINC000825767944 609489833 /nfs/dbraw/zinc/48/98/33/609489833.db2.gz VJVSGYBMZDRKLB-UHFFFAOYSA-N -1 3 304.404 2.573 20 0 DFADHM CC(C)Oc1ccc(NCc2cccn2C)cc1-c1nnn[n-]1 ZINC000824328792 609491457 /nfs/dbraw/zinc/49/14/57/609491457.db2.gz ARKMQJLWPQBKCQ-UHFFFAOYSA-N -1 3 312.377 2.605 20 0 DFADHM CC(C)Oc1ccc(NCc2cccn2C)cc1-c1nn[n-]n1 ZINC000824328792 609491459 /nfs/dbraw/zinc/49/14/59/609491459.db2.gz ARKMQJLWPQBKCQ-UHFFFAOYSA-N -1 3 312.377 2.605 20 0 DFADHM C[C@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826232150 609495546 /nfs/dbraw/zinc/49/55/46/609495546.db2.gz ULAUUBRAKBPAAE-LBPRGKRZSA-N -1 3 307.357 2.633 20 0 DFADHM C[C@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826232150 609495548 /nfs/dbraw/zinc/49/55/48/609495548.db2.gz ULAUUBRAKBPAAE-LBPRGKRZSA-N -1 3 307.357 2.633 20 0 DFADHM C[C@H]1CCc2c(sc(NC(=O)C3=CCC3)c2-c2nnn[n-]2)C1 ZINC000824967058 609507620 /nfs/dbraw/zinc/50/76/20/609507620.db2.gz HGKNKERRIRSUSJ-QMMMGPOBSA-N -1 3 315.402 2.712 20 0 DFADHM C[C@H]1CCc2c(sc(NC(=O)C3=CCC3)c2-c2nn[n-]n2)C1 ZINC000824967058 609507621 /nfs/dbraw/zinc/50/76/21/609507621.db2.gz HGKNKERRIRSUSJ-QMMMGPOBSA-N -1 3 315.402 2.712 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C12CCC(CC1)C2 ZINC000826253707 609510419 /nfs/dbraw/zinc/51/04/19/609510419.db2.gz ZQFISERGRVIRFF-UHFFFAOYSA-N -1 3 312.373 2.799 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C12CCC(CC1)C2 ZINC000826253707 609510421 /nfs/dbraw/zinc/51/04/21/609510421.db2.gz ZQFISERGRVIRFF-UHFFFAOYSA-N -1 3 312.373 2.799 20 0 DFADHM C[C@H]1CCC[C@@H]1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824928108 609511746 /nfs/dbraw/zinc/51/17/46/609511746.db2.gz RDFWGLMVPBYMAX-CABZTGNLSA-N -1 3 320.780 3.000 20 0 DFADHM C[C@H]1CCC[C@@H]1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824928108 609511748 /nfs/dbraw/zinc/51/17/48/609511748.db2.gz RDFWGLMVPBYMAX-CABZTGNLSA-N -1 3 320.780 3.000 20 0 DFADHM C[C@H]1C[C@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000824877135 609518648 /nfs/dbraw/zinc/51/86/48/609518648.db2.gz VODSZXXKYBYCMI-JYAVWHMHSA-N -1 3 313.405 2.555 20 0 DFADHM C[C@H]1C[C@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000824877135 609518649 /nfs/dbraw/zinc/51/86/49/609518649.db2.gz VODSZXXKYBYCMI-JYAVWHMHSA-N -1 3 313.405 2.555 20 0 DFADHM CCc1ccc(CN(C)c2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000825712184 609519158 /nfs/dbraw/zinc/51/91/58/609519158.db2.gz LZTPKPYWYDSUMB-UHFFFAOYSA-N -1 3 308.389 2.769 20 0 DFADHM CCc1ccc(CN(C)c2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000825712184 609519160 /nfs/dbraw/zinc/51/91/60/609519160.db2.gz LZTPKPYWYDSUMB-UHFFFAOYSA-N -1 3 308.389 2.769 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825049581 609521181 /nfs/dbraw/zinc/52/11/81/609521181.db2.gz DAMQHRPVFZBOBA-TUAOUCFPSA-N -1 3 301.394 2.726 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825049581 609521182 /nfs/dbraw/zinc/52/11/82/609521182.db2.gz DAMQHRPVFZBOBA-TUAOUCFPSA-N -1 3 301.394 2.726 20 0 DFADHM c1c(CS[C@H]2CCCOC2)c(-c2nnn[n-]2)c2ccccn12 ZINC000826524693 609527426 /nfs/dbraw/zinc/52/74/26/609527426.db2.gz FUVVVFNKQWEMIB-LBPRGKRZSA-N -1 3 315.402 2.532 20 0 DFADHM c1c(CS[C@H]2CCCOC2)c(-c2nn[n-]n2)c2ccccn12 ZINC000826524693 609527429 /nfs/dbraw/zinc/52/74/29/609527429.db2.gz FUVVVFNKQWEMIB-LBPRGKRZSA-N -1 3 315.402 2.532 20 0 DFADHM Cc1ccnc(NC[C@@H](C)N(C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826313161 609535177 /nfs/dbraw/zinc/53/51/77/609535177.db2.gz XRGXWLDJQBETJE-CYBMUJFWSA-N -1 3 323.404 2.507 20 0 DFADHM Cc1ccnc(NC[C@@H](C)N(C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826313161 609535179 /nfs/dbraw/zinc/53/51/79/609535179.db2.gz XRGXWLDJQBETJE-CYBMUJFWSA-N -1 3 323.404 2.507 20 0 DFADHM Cc1occc1CN(C)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826342611 609540469 /nfs/dbraw/zinc/54/04/69/609540469.db2.gz SHTUGCWDVBIXQS-UHFFFAOYSA-N -1 3 318.768 2.761 20 0 DFADHM Cc1occc1CN(C)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826342611 609540470 /nfs/dbraw/zinc/54/04/70/609540470.db2.gz SHTUGCWDVBIXQS-UHFFFAOYSA-N -1 3 318.768 2.761 20 0 DFADHM Cc1ccnc(N[C@H]2CCCOc3ccccc32)c1-c1nnn[n-]1 ZINC000826312937 609544721 /nfs/dbraw/zinc/54/47/21/609544721.db2.gz RSPLTWLIXROBMR-ZDUSSCGKSA-N -1 3 322.372 2.896 20 0 DFADHM Cc1ccnc(N[C@H]2CCCOc3ccccc32)c1-c1nn[n-]n1 ZINC000826312937 609544723 /nfs/dbraw/zinc/54/47/23/609544723.db2.gz RSPLTWLIXROBMR-ZDUSSCGKSA-N -1 3 322.372 2.896 20 0 DFADHM CC[C@@H](Nc1nccc(C)c1-c1nnn[n-]1)c1nc(C)cs1 ZINC000825148349 609548232 /nfs/dbraw/zinc/54/82/32/609548232.db2.gz PTPVXPDLIROUEH-SNVBAGLBSA-N -1 3 315.406 2.898 20 0 DFADHM CC[C@@H](Nc1nccc(C)c1-c1nn[n-]n1)c1nc(C)cs1 ZINC000825148349 609548233 /nfs/dbraw/zinc/54/82/33/609548233.db2.gz PTPVXPDLIROUEH-SNVBAGLBSA-N -1 3 315.406 2.898 20 0 DFADHM CCS[C@@H]1CCCCN(c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000825668164 609550752 /nfs/dbraw/zinc/55/07/52/609550752.db2.gz CHECMYNYWMPXBA-GFCCVEGCSA-N -1 3 318.450 2.682 20 0 DFADHM CCS[C@@H]1CCCCN(c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000825668164 609550755 /nfs/dbraw/zinc/55/07/55/609550755.db2.gz CHECMYNYWMPXBA-GFCCVEGCSA-N -1 3 318.450 2.682 20 0 DFADHM Cc1ccnc(N[C@H]2CSc3ccccc32)c1-c1nnn[n-]1 ZINC000826313030 609557743 /nfs/dbraw/zinc/55/77/43/609557743.db2.gz UYDCIMJNCXQYDJ-NSHDSACASA-N -1 3 310.386 2.829 20 0 DFADHM Cc1ccnc(N[C@H]2CSc3ccccc32)c1-c1nn[n-]n1 ZINC000826313030 609557745 /nfs/dbraw/zinc/55/77/45/609557745.db2.gz UYDCIMJNCXQYDJ-NSHDSACASA-N -1 3 310.386 2.829 20 0 DFADHM Cc1ccnc(N[C@H]2C[C@]2(C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311537 609560225 /nfs/dbraw/zinc/56/02/25/609560225.db2.gz HJFNSTMLMSPBSK-SUMWQHHRSA-N -1 3 306.373 2.712 20 0 DFADHM Cc1ccnc(N[C@H]2C[C@]2(C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311537 609560227 /nfs/dbraw/zinc/56/02/27/609560227.db2.gz HJFNSTMLMSPBSK-SUMWQHHRSA-N -1 3 306.373 2.712 20 0 DFADHM Cc1ccnc(N[C@H](C)COCc2ccccc2)c1-c1nnn[n-]1 ZINC000826311560 609562404 /nfs/dbraw/zinc/56/24/04/609562404.db2.gz HXTZMOMMDOFILR-CYBMUJFWSA-N -1 3 324.388 2.587 20 0 DFADHM Cc1ccnc(N[C@H](C)COCc2ccccc2)c1-c1nn[n-]n1 ZINC000826311560 609562405 /nfs/dbraw/zinc/56/24/05/609562405.db2.gz HXTZMOMMDOFILR-CYBMUJFWSA-N -1 3 324.388 2.587 20 0 DFADHM CSC(C)(C)CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826224734 609565702 /nfs/dbraw/zinc/56/57/02/609565702.db2.gz KVLKSGOKTCJOKD-UHFFFAOYSA-N -1 3 312.830 2.777 20 0 DFADHM CSC(C)(C)CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826224734 609565703 /nfs/dbraw/zinc/56/57/03/609565703.db2.gz KVLKSGOKTCJOKD-UHFFFAOYSA-N -1 3 312.830 2.777 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H]2CCCSC2)c1-c1nnn[n-]1 ZINC000826238351 609568942 /nfs/dbraw/zinc/56/89/42/609568942.db2.gz DKCOIKLZYPWMQS-MRVPVSSYSA-N -1 3 310.814 2.531 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H]2CCCSC2)c1-c1nn[n-]n1 ZINC000826238351 609568944 /nfs/dbraw/zinc/56/89/44/609568944.db2.gz DKCOIKLZYPWMQS-MRVPVSSYSA-N -1 3 310.814 2.531 20 0 DFADHM CCC[C@@H](C)[C@@H]1CCCN1c1nccc(C)c1-c1nnn[n-]1 ZINC000825234368 609578115 /nfs/dbraw/zinc/57/81/15/609578115.db2.gz ZDGWGQPLJKLIPS-YPMHNXCESA-N -1 3 300.410 2.975 20 0 DFADHM CCC[C@@H](C)[C@@H]1CCCN1c1nccc(C)c1-c1nn[n-]n1 ZINC000825234368 609578116 /nfs/dbraw/zinc/57/81/16/609578116.db2.gz ZDGWGQPLJKLIPS-YPMHNXCESA-N -1 3 300.410 2.975 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H]2CCOC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826240012 609581073 /nfs/dbraw/zinc/58/10/73/609581073.db2.gz XYKBFERXRKGBSM-SECBINFHSA-N -1 3 322.800 2.593 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H]2CCOC(C)(C)C2)c1-c1nn[n-]n1 ZINC000826240012 609581074 /nfs/dbraw/zinc/58/10/74/609581074.db2.gz XYKBFERXRKGBSM-SECBINFHSA-N -1 3 322.800 2.593 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc[nH]2)c1-c1nnn[n-]1 ZINC000826238431 609582886 /nfs/dbraw/zinc/58/28/86/609582886.db2.gz GECYQBJBPMMFRW-QMMMGPOBSA-N -1 3 303.757 2.725 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc[nH]2)c1-c1nn[n-]n1 ZINC000826238431 609582887 /nfs/dbraw/zinc/58/28/87/609582887.db2.gz GECYQBJBPMMFRW-QMMMGPOBSA-N -1 3 303.757 2.725 20 0 DFADHM CC/C(C)=C(/C)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825052444 609597482 /nfs/dbraw/zinc/59/74/82/609597482.db2.gz WQQVTOOXKNTUGR-QXMHVHEDSA-N -1 3 311.389 2.718 20 0 DFADHM CC/C(C)=C(/C)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825052444 609597484 /nfs/dbraw/zinc/59/74/84/609597484.db2.gz WQQVTOOXKNTUGR-QXMHVHEDSA-N -1 3 311.389 2.718 20 0 DFADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C1=CCC1 ZINC000826459654 609600051 /nfs/dbraw/zinc/60/00/51/609600051.db2.gz SQCMGWAJLDJUKD-UHFFFAOYSA-N -1 3 324.369 2.649 20 0 DFADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C1=CCC1 ZINC000826459654 609600052 /nfs/dbraw/zinc/60/00/52/609600052.db2.gz SQCMGWAJLDJUKD-UHFFFAOYSA-N -1 3 324.369 2.649 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825059965 609642284 /nfs/dbraw/zinc/64/22/84/609642284.db2.gz MQYYHRQXAOEJCR-GHMZBOCLSA-N -1 3 318.377 2.601 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825059965 609642286 /nfs/dbraw/zinc/64/22/86/609642286.db2.gz MQYYHRQXAOEJCR-GHMZBOCLSA-N -1 3 318.377 2.601 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2csnn2)c([O-])c1 ZINC000412792205 295657066 /nfs/dbraw/zinc/65/70/66/295657066.db2.gz IQVXWKNFEVCSKB-JTQLQIEISA-N -1 3 321.402 2.914 20 0 DFADHM COc1cc(SC)ccc1NC([O-])=NOC[C@@H]1CCOC1 ZINC000278271768 214059211 /nfs/dbraw/zinc/05/92/11/214059211.db2.gz FHVNDKJMBOXNJK-SNVBAGLBSA-N -1 3 312.391 2.507 20 0 DFADHM COc1cc(SC)ccc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000278271768 214059214 /nfs/dbraw/zinc/05/92/14/214059214.db2.gz FHVNDKJMBOXNJK-SNVBAGLBSA-N -1 3 312.391 2.507 20 0 DFADHM CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1cccc([O-])c1 ZINC000278275511 214062744 /nfs/dbraw/zinc/06/27/44/214062744.db2.gz ZGFUIUWANCFRPA-QGZVFWFLSA-N -1 3 305.374 2.730 20 0 DFADHM Cc1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)no1 ZINC000076638262 185027600 /nfs/dbraw/zinc/02/76/00/185027600.db2.gz CRLRHICUKWEUFC-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc(OC(F)F)c1 ZINC000076936087 185058015 /nfs/dbraw/zinc/05/80/15/185058015.db2.gz IGKLQCCKECYASP-GFCCVEGCSA-N -1 3 321.345 2.599 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H](C)C[C@H](O)c2cccs2)c1 ZINC000162732917 197587410 /nfs/dbraw/zinc/58/74/10/197587410.db2.gz CLNMYNRUAYFBHF-HZMBPMFUSA-N -1 3 321.398 2.704 20 0 DFADHM CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1ccccc1[O-] ZINC000278479256 214180450 /nfs/dbraw/zinc/18/04/50/214180450.db2.gz VHKHEBZHNZXADT-KRWDZBQOSA-N -1 3 305.374 2.730 20 0 DFADHM CC(C)(O)CON=C([O-])Nc1cccc(Oc2ccccn2)c1 ZINC000278510237 214200975 /nfs/dbraw/zinc/20/09/75/214200975.db2.gz DYSBXNAROYDFCU-UHFFFAOYSA-N -1 3 317.345 2.698 20 0 DFADHM CC(C)(O)CO[N-]C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000278510237 214200976 /nfs/dbraw/zinc/20/09/76/214200976.db2.gz DYSBXNAROYDFCU-UHFFFAOYSA-N -1 3 317.345 2.698 20 0 DFADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cccc(C)c2F)n1 ZINC000181268374 199274205 /nfs/dbraw/zinc/27/42/05/199274205.db2.gz ZGCGUBKCDPZIJP-JTQLQIEISA-N -1 3 314.407 2.939 20 0 DFADHM CC(C)(O)CON=C([O-])Nc1ccc(-c2nccs2)cc1 ZINC000278524308 214211833 /nfs/dbraw/zinc/21/18/33/214211833.db2.gz DARJXIDHNNBKEE-UHFFFAOYSA-N -1 3 307.375 2.634 20 0 DFADHM CC(C)(O)CO[N-]C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000278524308 214211834 /nfs/dbraw/zinc/21/18/34/214211834.db2.gz DARJXIDHNNBKEE-UHFFFAOYSA-N -1 3 307.375 2.634 20 0 DFADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286554329 219051918 /nfs/dbraw/zinc/05/19/18/219051918.db2.gz HWGWLOKMCXKJAB-RKDXNWHRSA-N -1 3 310.341 2.813 20 0 DFADHM COc1cc(C)cc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1C ZINC000278629161 214289155 /nfs/dbraw/zinc/28/91/55/214289155.db2.gz XVPAYIALKWJHKW-CYBMUJFWSA-N -1 3 313.419 2.623 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCN(CCC(C)(C)C)CC2)c1 ZINC000079262611 185162736 /nfs/dbraw/zinc/16/27/36/185162736.db2.gz RMFCMQKOTOCOLB-UHFFFAOYSA-N -1 3 320.433 2.595 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c1F ZINC000313204827 231124030 /nfs/dbraw/zinc/12/40/30/231124030.db2.gz DQYJWVMLOANTEN-KGLIPLIRSA-N -1 3 305.374 2.969 20 0 DFADHM Cc1ccc(NC([O-])=NOCC(C)(C)O)c(Br)c1 ZINC000278735000 214364088 /nfs/dbraw/zinc/36/40/88/214364088.db2.gz WCVDUGKWBKBXPR-UHFFFAOYSA-N -1 3 317.183 2.582 20 0 DFADHM Cc1ccc(NC(=O)[N-]OCC(C)(C)O)c(Br)c1 ZINC000278735000 214364091 /nfs/dbraw/zinc/36/40/91/214364091.db2.gz WCVDUGKWBKBXPR-UHFFFAOYSA-N -1 3 317.183 2.582 20 0 DFADHM Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[O-] ZINC000318106308 231168315 /nfs/dbraw/zinc/16/83/15/231168315.db2.gz NGVAVPCPSIHMPW-ZMSDIMECSA-N -1 3 303.402 2.856 20 0 DFADHM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(F)cc4[n-]nnc43)C2)C1 ZINC000328639614 231276794 /nfs/dbraw/zinc/27/67/94/231276794.db2.gz CCWLLGSOJFEWSK-QFYYESIMSA-N -1 3 302.353 2.749 20 0 DFADHM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(F)cc4nn[n-]c43)C2)C1 ZINC000328639614 231276798 /nfs/dbraw/zinc/27/67/98/231276798.db2.gz CCWLLGSOJFEWSK-QFYYESIMSA-N -1 3 302.353 2.749 20 0 DFADHM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(F)cc4n[n-]nc43)C2)C1 ZINC000328639614 231276802 /nfs/dbraw/zinc/27/68/02/231276802.db2.gz CCWLLGSOJFEWSK-QFYYESIMSA-N -1 3 302.353 2.749 20 0 DFADHM CN(CCC[N-]S(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000007059272 398357983 /nfs/dbraw/zinc/35/79/83/398357983.db2.gz WECHGYOBCYUCEL-UHFFFAOYSA-N -1 3 322.405 2.631 20 0 DFADHM CCc1c2ccccc2oc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000295748481 529499638 /nfs/dbraw/zinc/49/96/38/529499638.db2.gz ZMXIIFSXNMBXNS-UHFFFAOYSA-N -1 3 323.352 2.689 20 0 DFADHM CCOC[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000081467844 398351363 /nfs/dbraw/zinc/35/13/63/398351363.db2.gz VJHDZGBPCPWBCB-GFCCVEGCSA-N -1 3 319.401 2.604 20 0 DFADHM CCc1cc(C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc1[O-] ZINC000294781437 529515702 /nfs/dbraw/zinc/51/57/02/529515702.db2.gz KCKSYFFXIVLHPU-WMZOPIPTSA-N -1 3 301.386 2.738 20 0 DFADHM CCc1nc2n(n1)CCC[C@@H]2[N-]C(=O)C(F)(F)c1ccccc1 ZINC000088197088 185241595 /nfs/dbraw/zinc/24/15/95/185241595.db2.gz YDRCEMCSCWZOIM-LBPRGKRZSA-N -1 3 320.343 2.584 20 0 DFADHM CCc1cccc(C(=O)Nc2ccc3oc(=O)n(C)c3c2)c1[O-] ZINC000081777754 398369916 /nfs/dbraw/zinc/36/99/16/398369916.db2.gz OSJZHOSJGRYKSF-UHFFFAOYSA-N -1 3 312.325 2.652 20 0 DFADHM CN(CCN(C)c1ccccc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459340974 299083388 /nfs/dbraw/zinc/08/33/88/299083388.db2.gz FSTVZZQJDYXAFF-UHFFFAOYSA-N -1 3 312.417 2.628 20 0 DFADHM CCc1cccc(C(=O)Nc2cccc([S@](C)=O)c2)c1[O-] ZINC000081791228 398370730 /nfs/dbraw/zinc/37/07/30/398370730.db2.gz WYGRMNKBWFRRNJ-OAQYLSRUSA-N -1 3 303.383 2.944 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@@H](C)[C@H]2OCCc3sccc32)n1 ZINC000292390200 529565411 /nfs/dbraw/zinc/56/54/11/529565411.db2.gz KGZUCPNDUYROJV-MGPLVRAMSA-N -1 3 319.430 2.598 20 0 DFADHM CC[C@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)C1CCC(C)CC1 ZINC000332620791 529601743 /nfs/dbraw/zinc/60/17/43/529601743.db2.gz RABUYEDNDISZFY-RUXDESIVSA-N -1 3 317.433 2.919 20 0 DFADHM CCc1cccc(C(=O)NCc2ccc(O)c(OC)c2)c1[O-] ZINC000081938688 398376513 /nfs/dbraw/zinc/37/65/13/398376513.db2.gz GDNLHGPOCCCAOC-UHFFFAOYSA-N -1 3 301.342 2.599 20 0 DFADHM Cc1ccc(NC(=O)c2cccc(C[S@](C)=O)c2)c([O-])c1 ZINC000010123559 398376799 /nfs/dbraw/zinc/37/67/99/398376799.db2.gz IZAZMAWAJNCOPQ-OAQYLSRUSA-N -1 3 303.383 2.831 20 0 DFADHM COc1cc(-c2nc(C3(OC)CCCC3)no2)cc(OC)c1[O-] ZINC000278210620 214024667 /nfs/dbraw/zinc/02/46/67/214024667.db2.gz WDGVVEPHKPNAFP-UHFFFAOYSA-N -1 3 320.345 2.875 20 0 DFADHM CC[C@H]1C[C@@H](CC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)CCO1 ZINC000272831637 210230519 /nfs/dbraw/zinc/23/05/19/210230519.db2.gz GZGNHWIFWUNUPJ-RYUDHWBXSA-N -1 3 318.377 2.907 20 0 DFADHM CC[C@H]1C[C@@H](CC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)CCO1 ZINC000272831637 210230523 /nfs/dbraw/zinc/23/05/23/210230523.db2.gz GZGNHWIFWUNUPJ-RYUDHWBXSA-N -1 3 318.377 2.907 20 0 DFADHM CC[C@H]1C[C@@H](CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)CCO1 ZINC000272831637 210230526 /nfs/dbraw/zinc/23/05/26/210230526.db2.gz GZGNHWIFWUNUPJ-RYUDHWBXSA-N -1 3 318.377 2.907 20 0 DFADHM CN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)[C@H](CO)C(C)(C)C ZINC000459372144 299089744 /nfs/dbraw/zinc/08/97/44/299089744.db2.gz UARRZNXDNFLIDR-OAHLLOKOSA-N -1 3 315.417 2.688 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nnc(C)[nH]2)c1 ZINC000331877062 529690479 /nfs/dbraw/zinc/69/04/79/529690479.db2.gz DLPLSJXYSDOXPV-CQSZACIVSA-N -1 3 314.389 2.749 20 0 DFADHM O=c1cc(CN2CCOc3cc(F)ccc32)nc(C2CC2)[n-]1 ZINC000459378019 299091620 /nfs/dbraw/zinc/09/16/20/299091620.db2.gz PFYMIRPDYOBUJU-UHFFFAOYSA-N -1 3 301.321 2.598 20 0 DFADHM C[C@H](CN(C)Cc1cc(=O)[n-]c(C2CC2)n1)c1nccs1 ZINC000459397394 299096334 /nfs/dbraw/zinc/09/63/34/299096334.db2.gz DHWXHYXMUODOOF-SNVBAGLBSA-N -1 3 304.419 2.752 20 0 DFADHM C[C@@H](c1cnn(C)c1)N(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459402786 299097551 /nfs/dbraw/zinc/09/75/51/299097551.db2.gz PQQGIQZFPNXNAW-ZDUSSCGKSA-N -1 3 323.400 2.776 20 0 DFADHM 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COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1coc(C)n1 ZINC000588942516 398519026 /nfs/dbraw/zinc/51/90/26/398519026.db2.gz RMHGQHRBXDVFLY-UHFFFAOYSA-N -1 3 306.343 2.961 20 0 DFADHM C[C@@H](O)CN(Cc1cccc([O-])c1Br)CC(F)F ZINC000459560966 299133914 /nfs/dbraw/zinc/13/39/14/299133914.db2.gz AXPSMVJWVGTGBT-MRVPVSSYSA-N -1 3 324.165 2.603 20 0 DFADHM CCOc1cc(CNCc2snnc2C)cc(Cl)c1[O-] ZINC000459565680 299136055 /nfs/dbraw/zinc/13/60/55/299136055.db2.gz YKFDDBIGCOCCQE-UHFFFAOYSA-N -1 3 313.810 2.894 20 0 DFADHM O=c1cc(CN(CCC(F)(F)F)CC(F)(F)F)occ1[O-] ZINC000279677521 215053330 /nfs/dbraw/zinc/05/33/30/215053330.db2.gz DZJKDPLAYLYHTM-UHFFFAOYSA-N -1 3 319.201 2.662 20 0 DFADHM O=C([O-])CN(Cc1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000032228999 398527039 /nfs/dbraw/zinc/52/70/39/398527039.db2.gz RALPWQUYGJZIAE-UHFFFAOYSA-N -1 3 313.353 2.545 20 0 DFADHM COc1cc(NC(=O)[N-]OCC(C)C)cc(-n2cccn2)c1 ZINC000279688444 215063880 /nfs/dbraw/zinc/06/38/80/215063880.db2.gz FMWSLIDYUDEINY-UHFFFAOYSA-N -1 3 304.350 2.590 20 0 DFADHM COCCCO[N-]C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000286882548 219208724 /nfs/dbraw/zinc/20/87/24/219208724.db2.gz CZRWSNPZJFGNOB-UHFFFAOYSA-N -1 3 316.361 2.542 20 0 DFADHM CCC(CC)(CO)C(=O)Nc1cc(Br)ccc1[O-] ZINC000567247823 302344739 /nfs/dbraw/zinc/34/47/39/302344739.db2.gz RZZGWXWLNUHKLV-UHFFFAOYSA-N -1 3 316.195 2.892 20 0 DFADHM COc1cccc(CN(C)C(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000032674961 398535076 /nfs/dbraw/zinc/53/50/76/398535076.db2.gz MXOOQEFFAJQTNO-UHFFFAOYSA-N -1 3 322.364 2.809 20 0 DFADHM Cc1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])CC2 ZINC000681531689 545664965 /nfs/dbraw/zinc/66/49/65/545664965.db2.gz FGWMRIBKZZHYGM-VIFPVBQESA-N -1 3 305.765 2.821 20 0 DFADHM Cc1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc(Cl)cc1[O-])C2 ZINC000681531689 545664972 /nfs/dbraw/zinc/66/49/72/545664972.db2.gz FGWMRIBKZZHYGM-VIFPVBQESA-N -1 3 305.765 2.821 20 0 DFADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000318160891 398537954 /nfs/dbraw/zinc/53/79/54/398537954.db2.gz 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ZINC000417598486 296033997 /nfs/dbraw/zinc/03/39/97/296033997.db2.gz ZXTGMUZPTSPGHQ-PRHODGIISA-N -1 3 322.163 2.712 20 0 DFADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1c(F)cccc1Br ZINC000417599999 296034196 /nfs/dbraw/zinc/03/41/96/296034196.db2.gz FFIYYDOBLFENPS-SFYZADRCSA-N -1 3 304.159 2.787 20 0 DFADHM CCOC[C@H](NCc1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000417599646 296034246 /nfs/dbraw/zinc/03/42/46/296034246.db2.gz DVDWVXLBKXWGCQ-JTQLQIEISA-N -1 3 323.723 2.521 20 0 DFADHM COc1ccc(CN[C@@H](C)[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000417600332 296034367 /nfs/dbraw/zinc/03/43/67/296034367.db2.gz FYAZTGVVNJHZDS-BDAKNGLRSA-N -1 3 316.195 2.657 20 0 DFADHM CCCOc1cccc(CCNC(=O)c2csc(=O)[n-]2)c1 ZINC000472344598 299324204 /nfs/dbraw/zinc/32/42/04/299324204.db2.gz UHSNVGAULVMWTL-UHFFFAOYSA-N -1 3 306.387 2.610 20 0 DFADHM O=C([O-])C1(CNCc2c(Cl)cccc2N2CCCC2)CC1 ZINC000417606900 296035035 /nfs/dbraw/zinc/03/50/35/296035035.db2.gz FVLSDHNKTIHMCT-UHFFFAOYSA-N -1 3 308.809 2.895 20 0 DFADHM COC[C@@H](NCc1ccc(-c2ccccc2)cc1OC)C(=O)[O-] ZINC000417616140 296036047 /nfs/dbraw/zinc/03/60/47/296036047.db2.gz AVBALJIHVCRBEE-MRXNPFEDSA-N -1 3 315.369 2.551 20 0 DFADHM COc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1O ZINC000417613507 296035604 /nfs/dbraw/zinc/03/56/04/296035604.db2.gz CUYKWIFCRVDUIJ-HUUCEWRRSA-N -1 3 313.353 2.804 20 0 DFADHM CCOc1cccc(CNC[C@@H](Oc2ccccc2)C(=O)[O-])c1 ZINC000417638298 296037384 /nfs/dbraw/zinc/03/73/84/296037384.db2.gz JJJAQMSTDMUTIP-QGZVFWFLSA-N -1 3 315.369 2.707 20 0 DFADHM O=C([O-])COCCNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000417626820 296036608 /nfs/dbraw/zinc/03/66/08/296036608.db2.gz RQZBDTRDMLEXQD-UHFFFAOYSA-N -1 3 311.687 2.550 20 0 DFADHM COC[C@H](NCc1cccc(OCC2CCCCC2)c1)C(=O)[O-] ZINC000417631251 296036881 /nfs/dbraw/zinc/03/68/81/296036881.db2.gz RVPKNYRHPKFNAA-KRWDZBQOSA-N -1 3 321.417 2.835 20 0 DFADHM C[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]1CCO ZINC000618018641 398973683 /nfs/dbraw/zinc/97/36/83/398973683.db2.gz KTFYQUUGBAEUFM-BBRMVZONSA-N -1 3 323.408 2.864 20 0 DFADHM CC[C@H](CCO)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193500775 201064723 /nfs/dbraw/zinc/06/47/23/201064723.db2.gz XYHIXQBSVPCPOY-SECBINFHSA-N -1 3 305.296 2.549 20 0 DFADHM CC(C)Cn1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cn1 ZINC000417634260 296037114 /nfs/dbraw/zinc/03/71/14/296037114.db2.gz VHKUNCVNYHTKCD-SJORKVTESA-N -1 3 313.401 2.942 20 0 DFADHM COc1cc(-c2ccccc2)ccc1CNC[C@H](OC)C(=O)[O-] ZINC000417633872 296037185 /nfs/dbraw/zinc/03/71/85/296037185.db2.gz UXQKFSAUIUHKPT-KRWDZBQOSA-N -1 3 315.369 2.551 20 0 DFADHM COc1cccc(C[C@H](CNCc2ccccc2F)C(=O)[O-])c1 ZINC000417650379 296038075 /nfs/dbraw/zinc/03/80/75/296038075.db2.gz NETDMEAGKJKZMC-OAHLLOKOSA-N -1 3 317.360 2.867 20 0 DFADHM CC1(C)CCN(Cc2cc([O-])ccc2Cl)CC[S@@]1=O ZINC000599432812 398981008 /nfs/dbraw/zinc/98/10/08/398981008.db2.gz DIGNBBNIHKULGW-IBGZPJMESA-N -1 3 301.839 2.779 20 0 DFADHM CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000162620880 398982694 /nfs/dbraw/zinc/98/26/94/398982694.db2.gz HUIHDDQFGLQRCZ-CYBMUJFWSA-N -1 3 305.374 2.588 20 0 DFADHM CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000162620752 398983173 /nfs/dbraw/zinc/98/31/73/398983173.db2.gz HUIHDDQFGLQRCZ-ZDUSSCGKSA-N -1 3 305.374 2.588 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])C1CCC(O)CC1 ZINC000194524653 201245276 /nfs/dbraw/zinc/24/52/76/201245276.db2.gz OXOASRGWKQSGKP-UHFFFAOYSA-N -1 3 314.179 2.644 20 0 DFADHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000194622411 201263695 /nfs/dbraw/zinc/26/36/95/201263695.db2.gz BLBWIENOHFDBBW-UHFFFAOYSA-N -1 3 317.773 2.761 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCN(C)C3=O)c1 ZINC000618087744 398997790 /nfs/dbraw/zinc/99/77/90/398997790.db2.gz KETPBRARMGPNKD-UHFFFAOYSA-N -1 3 324.380 2.835 20 0 DFADHM CCC(CC)n1nc(C(=O)Nc2nnc(SC)[n-]2)cc1C ZINC000271845393 209262649 /nfs/dbraw/zinc/26/26/49/209262649.db2.gz INQBQQBBQJYXNK-UHFFFAOYSA-N -1 3 308.411 2.645 20 0 DFADHM CCC(CC)n1nc(C(=O)Nc2nc(SC)n[n-]2)cc1C ZINC000271845393 209262653 /nfs/dbraw/zinc/26/26/53/209262653.db2.gz INQBQQBBQJYXNK-UHFFFAOYSA-N -1 3 308.411 2.645 20 0 DFADHM CCC(CC)n1nc(C(=O)Nc2n[n-]c(SC)n2)cc1C ZINC000271845393 209262654 /nfs/dbraw/zinc/26/26/54/209262654.db2.gz INQBQQBBQJYXNK-UHFFFAOYSA-N -1 3 308.411 2.645 20 0 DFADHM C[C@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])[C@@H](N)c1ccccc1 ZINC000417805778 296052898 /nfs/dbraw/zinc/05/28/98/296052898.db2.gz FBPUIGAPOJEZKE-NWANDNLSSA-N -1 3 320.433 2.718 20 0 DFADHM O=c1nc(CN[C@@H](CC2CCCCC2)c2ccccc2)[nH][n-]1 ZINC000271819906 209243694 /nfs/dbraw/zinc/24/36/94/209243694.db2.gz PWUFKEJTXQKRRU-HNNXBMFYSA-N -1 3 300.406 2.899 20 0 DFADHM CC(C)[C@H](NCc1nc(=O)[n-][nH]1)c1cccc(C(F)(F)F)c1 ZINC000271816793 209240930 /nfs/dbraw/zinc/24/09/30/209240930.db2.gz NCUSDQJQEIXHHQ-LBPRGKRZSA-N -1 3 314.311 2.604 20 0 DFADHM Cc1ccccc1CC[N-]S(=O)(=O)c1c(C)cccc1F ZINC000475551310 299348798 /nfs/dbraw/zinc/34/87/98/299348798.db2.gz YERRJRZWDYOHLR-UHFFFAOYSA-N -1 3 307.390 2.964 20 0 DFADHM [O-]C(=NOC1CCCC1)Nc1cccnc1Br ZINC000271800966 209226883 /nfs/dbraw/zinc/22/68/83/209226883.db2.gz JZINHGJVNOIXPC-UHFFFAOYSA-N -1 3 300.156 2.840 20 0 DFADHM O=C([N-]OC1CCCC1)Nc1cccnc1Br ZINC000271800966 209226884 /nfs/dbraw/zinc/22/68/84/209226884.db2.gz JZINHGJVNOIXPC-UHFFFAOYSA-N -1 3 300.156 2.840 20 0 DFADHM C[C@H]1CCN(C(=O)[C@@H]2CCc3cncn3C2)c2c([O-])cccc21 ZINC000613576413 399026889 /nfs/dbraw/zinc/02/68/89/399026889.db2.gz JMHAPPFRJXQHGT-QWHCGFSZSA-N -1 3 311.385 2.692 20 0 DFADHM CSc1ccc([O-])c(C(=O)N[C@@H](CCO)c2ccco2)c1 ZINC000613580210 399029886 /nfs/dbraw/zinc/02/98/86/399029886.db2.gz BHPQQKSOMYHQFM-LBPRGKRZSA-N -1 3 307.371 2.561 20 0 DFADHM COCc1cc(C(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)no1 ZINC000079342806 399036641 /nfs/dbraw/zinc/03/66/41/399036641.db2.gz NUBVMQJBQPOWNP-QMMMGPOBSA-N -1 3 307.375 2.655 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2nc3cccnc3n2CC)c1 ZINC000477138326 299359168 /nfs/dbraw/zinc/35/91/68/299359168.db2.gz WPOYGTFLNCNYHF-UHFFFAOYSA-N -1 3 310.357 2.972 20 0 DFADHM Cc1ccsc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000091924395 193126791 /nfs/dbraw/zinc/12/67/91/193126791.db2.gz MRIDPYYAUMTEFE-UHFFFAOYSA-N -1 3 316.426 2.720 20 0 DFADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1Cc2ccccc2C2(CC2)C1 ZINC000613635587 399045038 /nfs/dbraw/zinc/04/50/38/399045038.db2.gz FBILWVOMHKGXSF-UHFFFAOYSA-N -1 3 319.364 2.956 20 0 DFADHM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000613638459 399046721 /nfs/dbraw/zinc/04/67/21/399046721.db2.gz VZBOYWLLJMPWNT-GJZGRUSLSA-N -1 3 317.389 2.592 20 0 DFADHM CN1CCOc2ccc(NC(=O)[N-]OCCC(F)(F)F)cc21 ZINC000275270968 212238424 /nfs/dbraw/zinc/23/84/24/212238424.db2.gz UQFMWHQXBXMLKL-UHFFFAOYSA-N -1 3 319.283 2.521 20 0 DFADHM CCOC(=O)CC[C@H]1CCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000599720636 399075979 /nfs/dbraw/zinc/07/59/79/399075979.db2.gz HDBHUDLMEIPBNW-CQSZACIVSA-N -1 3 319.401 2.896 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCC[C@](O)(C3CC3)C2)c([O-])c1 ZINC000618294816 399077168 /nfs/dbraw/zinc/07/71/68/399077168.db2.gz VQEJWAPBTQOCFG-GOSISDBHSA-N -1 3 303.402 2.893 20 0 DFADHM COCCCO[N-]C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000287127390 283990520 /nfs/dbraw/zinc/99/05/20/283990520.db2.gz USHNPTIJOJQKER-UHFFFAOYSA-N -1 3 313.373 2.760 20 0 DFADHM C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000288191153 220007345 /nfs/dbraw/zinc/00/73/45/220007345.db2.gz CBDKNNYSWQMQNP-DGCLKSJQSA-N -1 3 308.809 2.744 20 0 DFADHM CC[C@@]1(CO)CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000275236350 212216063 /nfs/dbraw/zinc/21/60/63/212216063.db2.gz RDXSPBJHJOXOIE-LJQANCHMSA-N -1 3 317.429 2.896 20 0 DFADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000275208274 212196349 /nfs/dbraw/zinc/19/63/49/212196349.db2.gz ZKOUKCKIIRKXCR-XJKSGUPXSA-N -1 3 318.417 2.549 20 0 DFADHM O=C(NCCOc1cccc(F)c1)NCc1ccc([O-])c(F)c1 ZINC000172552019 399085414 /nfs/dbraw/zinc/08/54/14/399085414.db2.gz IBRUEQHKTIAIPO-UHFFFAOYSA-N -1 3 322.311 2.549 20 0 DFADHM CC(C)=CC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000480739011 299389602 /nfs/dbraw/zinc/38/96/02/299389602.db2.gz LMWPOYONVKTJAC-UHFFFAOYSA-N -1 3 322.199 2.833 20 0 DFADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(F)cn2)c1F ZINC000337114757 284067947 /nfs/dbraw/zinc/06/79/47/284067947.db2.gz YBDLECCHRGAQAC-UHFFFAOYSA-N -1 3 310.231 2.538 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](C)CC2)c(F)c1 ZINC000481058553 299391929 /nfs/dbraw/zinc/39/19/29/299391929.db2.gz MMZRLXSSAZFMRE-XYPYZODXSA-N -1 3 301.383 2.691 20 0 DFADHM O=C(NC[C@@H]1CCc2ccccc21)c1cc(F)cc2nn[n-]c21 ZINC000337512825 284078232 /nfs/dbraw/zinc/07/82/32/284078232.db2.gz SMGJKKRWFUBGGD-NSHDSACASA-N -1 3 310.332 2.557 20 0 DFADHM O=C(NC[C@@H]1CCc2ccccc21)c1cc(F)cc2[n-]nnc21 ZINC000337512825 284078238 /nfs/dbraw/zinc/07/82/38/284078238.db2.gz SMGJKKRWFUBGGD-NSHDSACASA-N -1 3 310.332 2.557 20 0 DFADHM O=C(NC[C@@H]1CCc2ccccc21)c1cc(F)cc2n[n-]nc21 ZINC000337512825 284078243 /nfs/dbraw/zinc/07/82/43/284078243.db2.gz SMGJKKRWFUBGGD-NSHDSACASA-N -1 3 310.332 2.557 20 0 DFADHM O=C(CNC(=O)c1cccc([O-])c1)NCCCCC1CCCC1 ZINC000275122090 212133854 /nfs/dbraw/zinc/13/38/54/212133854.db2.gz IDNVYHCVSNXBEG-UHFFFAOYSA-N -1 3 318.417 2.599 20 0 DFADHM C[C@@H](NCc1cc(Br)ccc1F)[C@H](C)C(=O)[O-] ZINC000093027818 193196240 /nfs/dbraw/zinc/19/62/40/193196240.db2.gz ZZOQYKYGUAAPOP-JGVFFNPUSA-N -1 3 304.159 2.787 20 0 DFADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621876580 399104064 /nfs/dbraw/zinc/10/40/64/399104064.db2.gz DFQSUHJFZGTTAQ-YMTOWFKASA-N -1 3 319.323 2.938 20 0 DFADHM C[C@@H](NCc1cc(Br)ccc1F)[C@@H](C)C(=O)[O-] ZINC000093027820 193196678 /nfs/dbraw/zinc/19/66/78/193196678.db2.gz ZZOQYKYGUAAPOP-HTQZYQBOSA-N -1 3 304.159 2.787 20 0 DFADHM CC(C)n1cc([C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cn1 ZINC000606687804 399102131 /nfs/dbraw/zinc/10/21/31/399102131.db2.gz TTYORVDOTSJUJB-NSHDSACASA-N -1 3 320.368 2.869 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H]2CSC2(C)C)sc1Cl ZINC000338457705 284115755 /nfs/dbraw/zinc/11/57/55/284115755.db2.gz WNWPZUNPBHOOLW-ZETCQYMHSA-N -1 3 311.881 2.882 20 0 DFADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000621882253 399104737 /nfs/dbraw/zinc/10/47/37/399104737.db2.gz IVGAIMFJAFMNHV-AYMMMOKOSA-N -1 3 304.300 2.735 20 0 DFADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000621882253 399104743 /nfs/dbraw/zinc/10/47/43/399104743.db2.gz IVGAIMFJAFMNHV-AYMMMOKOSA-N -1 3 304.300 2.735 20 0 DFADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000621882253 399104747 /nfs/dbraw/zinc/10/47/47/399104747.db2.gz IVGAIMFJAFMNHV-AYMMMOKOSA-N -1 3 304.300 2.735 20 0 DFADHM O=C(c1cc(F)c[n-]c1=O)N1CCCC[C@H]1c1nccs1 ZINC000621888253 399108918 /nfs/dbraw/zinc/10/89/18/399108918.db2.gz BDWRFPRJTWTGMB-NSHDSACASA-N -1 3 307.350 2.750 20 0 DFADHM O=C(c1cc(F)c[n-]c1=O)N1CCCC[C@@H]1c1nccs1 ZINC000621888252 399109060 /nfs/dbraw/zinc/10/90/60/399109060.db2.gz BDWRFPRJTWTGMB-LLVKDONJSA-N -1 3 307.350 2.750 20 0 DFADHM CSCCCN(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000599893560 399109624 /nfs/dbraw/zinc/10/96/24/399109624.db2.gz CHLQRRMXTKNKQM-UHFFFAOYSA-N -1 3 318.236 2.980 20 0 DFADHM Cc1noc(C)c1[N-]C(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC000275055791 212096619 /nfs/dbraw/zinc/09/66/19/212096619.db2.gz ZSSVFQSTRMGFED-UHFFFAOYSA-N -1 3 300.240 2.661 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@H]2c2cc(C)no2)c1[O-] ZINC000080074344 399115027 /nfs/dbraw/zinc/11/50/27/399115027.db2.gz YFERGMVMSKTKNG-LBPRGKRZSA-N -1 3 302.330 2.675 20 0 DFADHM CCc1ocnc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000606831997 399115390 /nfs/dbraw/zinc/11/53/90/399115390.db2.gz FXFPUILRHHVIBJ-UHFFFAOYSA-N -1 3 311.135 2.957 20 0 DFADHM CO[C@H]1C[C@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1(C)C ZINC000621905523 399116924 /nfs/dbraw/zinc/11/69/24/399116924.db2.gz DKXZNTVVQRIMFS-RYUDHWBXSA-N -1 3 317.307 2.954 20 0 DFADHM CC1(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCOCC1 ZINC000621905818 399117909 /nfs/dbraw/zinc/11/79/09/399117909.db2.gz NSVFDPCLMPZMNB-UHFFFAOYSA-N -1 3 317.307 2.958 20 0 DFADHM 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323.462 2.986 20 0 DFADHM CCc1ccc(CNc2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC000419777392 296148659 /nfs/dbraw/zinc/14/86/59/296148659.db2.gz LUHFJLIIJOZKNP-UHFFFAOYSA-N -1 3 322.405 2.908 20 0 DFADHM Oc1[n-]c(N2CCC(c3ccsc3)CC2)nc2nncc1-2 ZINC000274989485 212060589 /nfs/dbraw/zinc/06/05/89/212060589.db2.gz LJULXKMDYIUZET-UHFFFAOYSA-N -1 3 301.375 2.504 20 0 DFADHM CC(C)CO[N-]C(=O)Cc1ccc(F)cc1Br ZINC000274986104 212059271 /nfs/dbraw/zinc/05/92/71/212059271.db2.gz MRMLMJJRPRSJMH-UHFFFAOYSA-N -1 3 304.159 2.835 20 0 DFADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@H](CCO)C1 ZINC000621932764 399131278 /nfs/dbraw/zinc/13/12/78/399131278.db2.gz LVCFQJBUIWYNAW-SNVBAGLBSA-N -1 3 317.307 2.646 20 0 DFADHM COC(=O)CN(C(=O)c1c(C)cccc1[O-])C1CCCCC1 ZINC000600095599 399134647 /nfs/dbraw/zinc/13/46/47/399134647.db2.gz LMQZCRRNQQAFIR-UHFFFAOYSA-N -1 3 305.374 2.649 20 0 DFADHM CCN(C(=O)c1c(C)cccc1[O-])[C@H](C)C(=O)OC(C)(C)C ZINC000600087487 399133242 /nfs/dbraw/zinc/13/32/42/399133242.db2.gz 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20 0 DFADHM CC(=O)N1CC[C@H](NC(=O)c2cc(C)ccc2[O-])c2ccccc21 ZINC000362739173 149355558 /nfs/dbraw/zinc/35/55/58/149355558.db2.gz XOYGCSSGQRUXRS-INIZCTEOSA-N -1 3 324.380 2.928 20 0 DFADHM CCc1cc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)ccc1[O-] ZINC000362838266 149377986 /nfs/dbraw/zinc/37/79/86/149377986.db2.gz DPCVNFOJQIGFBN-NSHDSACASA-N -1 3 315.417 2.666 20 0 DFADHM CCCN(C(=O)c1cc([O-])ccc1Cl)[C@@H](C)C(=O)OCC ZINC000351220910 286116676 /nfs/dbraw/zinc/11/66/76/286116676.db2.gz JMIHNTIIMLSUHM-JTQLQIEISA-N -1 3 313.781 2.849 20 0 DFADHM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc2cncn2c1 ZINC000351303652 286120763 /nfs/dbraw/zinc/12/07/63/286120763.db2.gz NWQJOTNMFKLTBL-UHFFFAOYSA-N -1 3 319.324 2.682 20 0 DFADHM CC(C)[C@@H](C)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000351484315 286132344 /nfs/dbraw/zinc/13/23/44/286132344.db2.gz CYITZCILQJMHNN-SECBINFHSA-N -1 3 308.328 2.923 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2ccc(SC)cc2OC)[n-]1 ZINC000351480575 286131106 /nfs/dbraw/zinc/13/11/06/286131106.db2.gz SFSMLTNAAHLUJC-UHFFFAOYSA-N -1 3 320.370 2.784 20 0 DFADHM Cn1ccnc1CC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000351482998 286131959 /nfs/dbraw/zinc/13/19/59/286131959.db2.gz LOIGBOPLENPFJP-UHFFFAOYSA-N -1 3 321.371 2.859 20 0 DFADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1C[C@]12CCOC2 ZINC000372052512 150131093 /nfs/dbraw/zinc/13/10/93/150131093.db2.gz FDESPTKDRZJOKX-OCCSQVGLSA-N -1 3 315.291 2.680 20 0 DFADHM Cc1cncn1C1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000372246720 150154122 /nfs/dbraw/zinc/15/41/22/150154122.db2.gz GUKMGLVBSVJXRJ-UHFFFAOYSA-N -1 3 303.337 2.514 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C[C@@H]1C ZINC000351602889 286166117 /nfs/dbraw/zinc/16/61/17/286166117.db2.gz JFEBBBHEBCWXTN-VWYCJHECSA-N -1 3 315.373 2.516 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC3(C1)CCCC3)c2=O ZINC000372924192 150203104 /nfs/dbraw/zinc/20/31/04/150203104.db2.gz MEXWHOYIZGNWLQ-UHFFFAOYSA-N -1 3 312.369 2.553 20 0 DFADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2csc(=O)[n-]2)o1 ZINC000375973912 292224979 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CCO[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000354413434 286188655 /nfs/dbraw/zinc/18/86/55/286188655.db2.gz BTTJNYUTGHSFAG-OAHLLOKOSA-N -1 3 323.356 2.583 20 0 DFADHM Cn1cnc2cc(CN[C@@H](C(=O)[O-])c3cccc(F)c3)ccc21 ZINC000426821531 296642236 /nfs/dbraw/zinc/64/22/36/296642236.db2.gz UDFATMHALDOJOW-MRXNPFEDSA-N -1 3 313.332 2.628 20 0 DFADHM CCCSC[C@@H](NCc1cc2ccccc2[nH]c1=O)C(=O)[O-] ZINC000426809966 296642013 /nfs/dbraw/zinc/64/20/13/296642013.db2.gz HCBSWYFJENLTCD-CQSZACIVSA-N -1 3 320.414 2.626 20 0 DFADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1ccoc1 ZINC000351697651 286196795 /nfs/dbraw/zinc/19/67/95/286196795.db2.gz YEHZRGUDFIIJPC-INIZCTEOSA-N -1 3 314.366 2.743 20 0 DFADHM Cc1ccc(CNC(=O)c2c[n-]nc2-c2ccccn2)cc1F ZINC000351730297 286204746 /nfs/dbraw/zinc/20/47/46/286204746.db2.gz LBPXZTIRAZWGPZ-UHFFFAOYSA-N -1 3 310.332 2.849 20 0 DFADHM O=C(NCCCOc1ccccc1)c1c[n-]nc1-c1ccccn1 ZINC000351777029 286216281 /nfs/dbraw/zinc/21/62/81/286216281.db2.gz ADQMCDFQWBKTKL-UHFFFAOYSA-N -1 3 322.368 2.671 20 0 DFADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000351829891 286228191 /nfs/dbraw/zinc/22/81/91/286228191.db2.gz BJFWYENKZDIYNY-UHFFFAOYSA-N -1 3 313.325 2.912 20 0 DFADHM O=S(=O)([N-][C@@H](c1nccs1)c1ccccc1)c1ccoc1 ZINC000351925760 286246405 /nfs/dbraw/zinc/24/64/05/286246405.db2.gz GJRKCUVNTVCCQO-CYBMUJFWSA-N -1 3 320.395 2.804 20 0 DFADHM O=C1C[C@@H](c2cccc(NCc3c(F)ccc([O-])c3F)c2)CN1 ZINC000351957956 286255227 /nfs/dbraw/zinc/25/52/27/286255227.db2.gz IVWAPQOOXKNUGD-LLVKDONJSA-N -1 3 318.323 2.886 20 0 DFADHM COc1cc2c(cc1F)[n-]cc(C(=O)N1CCCC[C@@H]1C)c2=O ZINC000355426654 286256378 /nfs/dbraw/zinc/25/63/78/286256378.db2.gz VJDYYWLQEPDABM-JTQLQIEISA-N -1 3 318.348 2.690 20 0 DFADHM CCO[C@@H](C)c1noc(CN(C)Cc2cc([O-])cc(F)c2)n1 ZINC000352001338 286266356 /nfs/dbraw/zinc/26/63/56/286266356.db2.gz FKJNMJXNWAUDLU-JTQLQIEISA-N -1 3 309.341 2.644 20 0 DFADHM CN(C)[C@H](CNCc1c(F)ccc([O-])c1F)Cc1ccccc1 ZINC000352013939 286269999 /nfs/dbraw/zinc/26/99/99/286269999.db2.gz KZGCJZSHWPGIRN-AWEZNQCLSA-N -1 3 320.383 2.933 20 0 DFADHM COC(=O)[C@H](C)Oc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000352040845 286277552 /nfs/dbraw/zinc/27/75/52/286277552.db2.gz SDAFVYURHRSJKG-PWWFUAJNSA-N -1 3 314.341 2.601 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCC[C@H](O)C1 ZINC000352053353 286280873 /nfs/dbraw/zinc/28/08/73/286280873.db2.gz SHUFZUJXVZCVFU-SCZZXKLOSA-N -1 3 314.179 2.644 20 0 DFADHM COc1ccc(C(=O)N2Cc3ccccc3O[C@@H](C)C2)c([O-])c1 ZINC000294054400 286284635 /nfs/dbraw/zinc/28/46/35/286284635.db2.gz GLHFQRFGEUPKLW-LBPRGKRZSA-N -1 3 313.353 2.824 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000352082224 286287790 /nfs/dbraw/zinc/28/77/90/286287790.db2.gz JBBXKFBRVGCILY-JTQLQIEISA-N -1 3 314.794 2.817 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2)o1 ZINC000352095256 286290617 /nfs/dbraw/zinc/29/06/17/286290617.db2.gz OURZZCIQKUWFQA-SECBINFHSA-N -1 3 300.767 2.676 20 0 DFADHM Cc1cnc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000427802853 296668196 /nfs/dbraw/zinc/66/81/96/296668196.db2.gz ANGJXTBFAYZXIF-SUMWQHHRSA-N -1 3 313.401 2.517 20 0 DFADHM CCCC1(C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)CC1 ZINC000352140332 286302416 /nfs/dbraw/zinc/30/24/16/286302416.db2.gz KTDNACVHBALVRP-UHFFFAOYSA-N -1 3 300.362 2.999 20 0 DFADHM O=C(N[C@@H]1CCc2ccccc21)c1c[n-]nc1-c1ccccn1 ZINC000352142463 286302926 /nfs/dbraw/zinc/30/29/26/286302926.db2.gz WMDPTNPRVJJSLG-OAHLLOKOSA-N -1 3 304.353 2.889 20 0 DFADHM CCc1ccnc(C[N-]S(=O)(=O)c2sccc2Cl)c1 ZINC000451489563 297815377 /nfs/dbraw/zinc/81/53/77/297815377.db2.gz CLLMVHHLZNOSRV-UHFFFAOYSA-N -1 3 316.835 2.837 20 0 DFADHM CCc1nnc([N-]C(=O)c2cnnc(-c3ccccc3)c2)s1 ZINC000352153070 286306216 /nfs/dbraw/zinc/30/62/16/286306216.db2.gz CWGORVWAOZKLSN-UHFFFAOYSA-N -1 3 311.370 2.810 20 0 DFADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000352218407 286320767 /nfs/dbraw/zinc/32/07/67/286320767.db2.gz XHGMFEBLTLFMMV-SKDRFNHKSA-N -1 3 324.302 2.941 20 0 DFADHM COc1ccc(OCc2nc(=O)c3c(C)csc3[n-]2)cc1 ZINC000070694414 286346641 /nfs/dbraw/zinc/34/66/41/286346641.db2.gz GJUZXTBBVPCKRM-UHFFFAOYSA-N -1 3 302.355 2.881 20 0 DFADHM CCC[C@@]1([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCOC1 ZINC000352337303 286347004 /nfs/dbraw/zinc/34/70/04/286347004.db2.gz GGKGEMLQODRYCU-CYBMUJFWSA-N -1 3 321.801 2.717 20 0 DFADHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000352338622 286347339 /nfs/dbraw/zinc/34/73/39/286347339.db2.gz UERFCXZASPQQBR-VXNVDRBHSA-N -1 3 309.815 2.509 20 0 DFADHM CCC[C@@]1([N-]S(=O)(=O)c2cc(F)c(C)cc2F)CCOC1 ZINC000352345580 286349007 /nfs/dbraw/zinc/34/90/07/286349007.db2.gz NEKJKVGEWCMGHY-CQSZACIVSA-N -1 3 319.373 2.511 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)n1 ZINC000352433830 286372563 /nfs/dbraw/zinc/37/25/63/286372563.db2.gz YIKVMADFFFTVSN-KCQAQPDRSA-N -1 3 303.406 2.585 20 0 DFADHM [O-]c1ccc(F)c(CNCc2ccc(-n3cncn3)cc2)c1F ZINC000352449772 286377073 /nfs/dbraw/zinc/37/70/73/286377073.db2.gz OHFVXTWFXPGCIU-UHFFFAOYSA-N -1 3 316.311 2.541 20 0 DFADHM O=C(CCCc1ccc(F)c(F)c1)NCc1ncccc1[O-] ZINC000352499670 286389747 /nfs/dbraw/zinc/38/97/47/286389747.db2.gz HFCQAGAOOQDPTA-UHFFFAOYSA-N -1 3 306.312 2.705 20 0 DFADHM O=C(CCSCc1ccccc1)NCc1ncccc1[O-] ZINC000352501277 286390103 /nfs/dbraw/zinc/39/01/03/286390103.db2.gz NIPBIYMNFOPDGY-UHFFFAOYSA-N -1 3 302.399 2.727 20 0 DFADHM O=C(Cc1ccccc1C(F)(F)F)NCc1ncccc1[O-] ZINC000352501633 286390209 /nfs/dbraw/zinc/39/02/09/286390209.db2.gz PJPIVMQRCZZNAP-UHFFFAOYSA-N -1 3 310.275 2.665 20 0 DFADHM Cc1ccc(Br)cc1C(=O)NCc1ncccc1[O-] ZINC000352511148 286393449 /nfs/dbraw/zinc/39/34/49/286393449.db2.gz WOGSWUZCBGWQQC-UHFFFAOYSA-N -1 3 321.174 2.788 20 0 DFADHM O=C(NCc1ncccc1[O-])c1c[nH]cc1-c1ccc(F)cc1 ZINC000352515881 286394626 /nfs/dbraw/zinc/39/46/26/286394626.db2.gz IPDNUZIKTZQGRG-UHFFFAOYSA-N -1 3 311.316 2.851 20 0 DFADHM O=C(CCc1ncc(-c2ccccc2)o1)NCc1ncccc1[O-] ZINC000352516326 286394987 /nfs/dbraw/zinc/39/49/87/286394987.db2.gz LGFNACUIRFJGHA-UHFFFAOYSA-N -1 3 323.352 2.691 20 0 DFADHM CC(=O)N[C@H](CC(=O)Nc1c(C)cccc1[O-])c1cccs1 ZINC000352647690 286429669 /nfs/dbraw/zinc/42/96/69/286429669.db2.gz PRMUHQIOYUCPIH-GFCCVEGCSA-N -1 3 318.398 2.968 20 0 DFADHM Cc1[nH]nc2ncc(NC(=O)c3cc([O-])ccc3Cl)cc12 ZINC000353391683 286632801 /nfs/dbraw/zinc/63/28/01/286632801.db2.gz WPLXJOUKXCAOSC-UHFFFAOYSA-N -1 3 302.721 2.878 20 0 DFADHM COc1cccc(OCCCNC(=O)c2cccc([O-])c2)c1 ZINC000182481975 158002825 /nfs/dbraw/zinc/00/28/25/158002825.db2.gz FVIZVUQSGNVQMI-UHFFFAOYSA-N -1 3 301.342 2.600 20 0 DFADHM Cc1cccc([O-])c1NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000183061801 158012299 /nfs/dbraw/zinc/01/22/99/158012299.db2.gz IZMVCVWZYLERGR-UHFFFAOYSA-N -1 3 308.341 2.598 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000183057240 158012479 /nfs/dbraw/zinc/01/24/79/158012479.db2.gz QSDATFANQZESNR-UHFFFAOYSA-N -1 3 312.300 2.934 20 0 DFADHM O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc([O-])c1 ZINC000182990999 158012578 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/nfs/dbraw/zinc/64/82/07/268648207.db2.gz YYFBIEIBQISGME-UHFFFAOYSA-N -1 3 313.744 2.919 20 0 DFADHM O=C(CCCc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000130093455 426147100 /nfs/dbraw/zinc/14/71/00/426147100.db2.gz DPNKEQFAEQNFFR-UHFFFAOYSA-N -1 3 307.357 2.828 20 0 DFADHM O=C(CCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000130093455 426147102 /nfs/dbraw/zinc/14/71/02/426147102.db2.gz DPNKEQFAEQNFFR-UHFFFAOYSA-N -1 3 307.357 2.828 20 0 DFADHM Cc1nonc1[N-]C(=O)c1cc(C)nc2onc(C(C)C)c21 ZINC000170799101 426150912 /nfs/dbraw/zinc/15/09/12/426150912.db2.gz SNZUSDGZGRZIEP-UHFFFAOYSA-N -1 3 301.306 2.598 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cc(C)ccc2NC(C)=O)c1 ZINC000170805266 426152489 /nfs/dbraw/zinc/15/24/89/426152489.db2.gz BOGDVFIOBZTXFZ-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM CC[C@H](SC)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000130436557 426158892 /nfs/dbraw/zinc/15/88/92/426158892.db2.gz JBJALZZGHBQELD-ZDUSSCGKSA-N -1 3 317.414 2.825 20 0 DFADHM COc1cccc(C(=O)NCCSc2ccccc2)c1[O-] ZINC000078430912 426169653 /nfs/dbraw/zinc/16/96/53/426169653.db2.gz HIVUSRUCXIBVGL-UHFFFAOYSA-N -1 3 303.383 2.923 20 0 DFADHM COc1cccc(C(=O)N(C)CCOc2ccc(C)cc2)c1[O-] ZINC000078573121 426175730 /nfs/dbraw/zinc/17/57/30/426175730.db2.gz OZALZWMIFLPOAM-UHFFFAOYSA-N -1 3 315.369 2.860 20 0 DFADHM COc1ccc([O-])c(C(=O)N(C)CCOc2ccccc2F)c1 ZINC000078572635 426175954 /nfs/dbraw/zinc/17/59/54/426175954.db2.gz FNMIGUQXWHZOSP-UHFFFAOYSA-N -1 3 319.332 2.691 20 0 DFADHM COc1cccc(C(=O)Nc2nnc(C(F)(F)F)s2)c1[O-] ZINC000078678718 426180799 /nfs/dbraw/zinc/18/07/99/426180799.db2.gz PFBUYOGWHLKRQX-UHFFFAOYSA-N -1 3 319.264 2.523 20 0 DFADHM C[C@H](C[N-]S(=O)(=O)c1ccccc1F)Oc1ccccc1 ZINC000078706403 426181182 /nfs/dbraw/zinc/18/11/82/426181182.db2.gz NHKSNXVNCAXCRX-GFCCVEGCSA-N -1 3 309.362 2.572 20 0 DFADHM Cc1ccc(C(C)(C)CNC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000171327116 426184307 /nfs/dbraw/zinc/18/43/07/426184307.db2.gz GURQEMRJTHFWSU-UHFFFAOYSA-N -1 3 308.385 2.974 20 0 DFADHM COCc1cc(C(=O)[N-]c2nc3ccc(OC)cc3s2)no1 ZINC000079349712 426191445 /nfs/dbraw/zinc/19/14/45/426191445.db2.gz UQPLFCCDSSRLKA-UHFFFAOYSA-N -1 3 319.342 2.692 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCOC[C@@H]2c2ccc(C)o2)c1 ZINC000116700664 426194778 /nfs/dbraw/zinc/19/47/78/426194778.db2.gz JRVJBWCJNQVQTH-CQSZACIVSA-N -1 3 317.341 2.516 20 0 DFADHM COc1ccc(C(=O)N2CCOC[C@H]2c2ccc(C)o2)c([O-])c1 ZINC000116707073 426194896 /nfs/dbraw/zinc/19/48/96/426194896.db2.gz HMQIGLFMCAHGFG-AWEZNQCLSA-N -1 3 317.341 2.516 20 0 DFADHM CC(C)(C)CCNC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117114417 426206505 /nfs/dbraw/zinc/20/65/05/426206505.db2.gz OJTOOWIWNLQUBT-UHFFFAOYSA-N -1 3 319.434 2.511 20 0 DFADHM CC(C)CCO[C@H](C)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117736582 426221843 /nfs/dbraw/zinc/22/18/43/426221843.db2.gz IENDEOOYZGHAFB-CQSZACIVSA-N -1 3 316.405 2.716 20 0 DFADHM CC(C)C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000172961566 426232381 /nfs/dbraw/zinc/23/23/81/426232381.db2.gz PEHAJJWNKOHGHN-UHFFFAOYSA-N -1 3 310.188 2.523 20 0 DFADHM CCCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000172958079 426232433 /nfs/dbraw/zinc/23/24/33/426232433.db2.gz VKCPTAAOHJBYCS-UHFFFAOYSA-N -1 3 310.188 2.667 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nccs2)c(F)cc1F ZINC000084674419 426243164 /nfs/dbraw/zinc/24/31/64/426243164.db2.gz BDOOOSFUHVPIFQ-QMMMGPOBSA-N -1 3 318.370 2.769 20 0 DFADHM C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000174611037 426260217 /nfs/dbraw/zinc/26/02/17/426260217.db2.gz CAVVLZSTICCZLK-OAHLLOKOSA-N -1 3 310.397 2.911 20 0 DFADHM O=C([N-]c1cc(F)c(F)cc1F)c1ncn(-c2ccccc2)n1 ZINC000119146293 426266316 /nfs/dbraw/zinc/26/63/16/426266316.db2.gz MIVFCFPTAWJHGH-UHFFFAOYSA-N -1 3 318.258 2.937 20 0 DFADHM CC(=O)c1cccc(OCC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174875559 426266646 /nfs/dbraw/zinc/26/66/46/426266646.db2.gz OHWBJZQMEWVKOL-UHFFFAOYSA-N -1 3 303.289 2.751 20 0 DFADHM O=C(Cc1cnn(-c2ccccc2)c1)Nc1cc(F)ccc1[O-] ZINC000174879470 426266984 /nfs/dbraw/zinc/26/69/84/426266984.db2.gz FEYXRAMDPNPQEQ-UHFFFAOYSA-N -1 3 311.316 2.898 20 0 DFADHM C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000174890065 426267357 /nfs/dbraw/zinc/26/73/57/426267357.db2.gz RPQVSIKQCCBZJS-RFAUZJTJSA-N -1 3 303.289 2.698 20 0 DFADHM O=C(CCCNC(=O)c1ccccc1)Nc1cc(F)ccc1[O-] ZINC000174904008 426268584 /nfs/dbraw/zinc/26/85/84/426268584.db2.gz HNAGSTCGOJHSKQ-UHFFFAOYSA-N -1 3 316.332 2.680 20 0 DFADHM CCOCCC1(CNC(=O)c2ccc(OC)cc2[O-])CCC1 ZINC000150987468 426271002 /nfs/dbraw/zinc/27/10/02/426271002.db2.gz IDHMDFDGCPFLSL-UHFFFAOYSA-N -1 3 307.390 2.728 20 0 DFADHM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1cc(-c2ccco2)[n-]n1 ZINC000151030104 426273032 /nfs/dbraw/zinc/27/30/32/426273032.db2.gz NCFJPKALFCYIER-UHFFFAOYSA-N -1 3 322.324 2.807 20 0 DFADHM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1cc(-c2ccco2)n[n-]1 ZINC000151030104 426273034 /nfs/dbraw/zinc/27/30/34/426273034.db2.gz NCFJPKALFCYIER-UHFFFAOYSA-N -1 3 322.324 2.807 20 0 DFADHM CS[C@@H]1CCC[C@@H](NC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000117227154 426209390 /nfs/dbraw/zinc/20/93/90/426209390.db2.gz 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/nfs/dbraw/zinc/29/64/28/426296428.db2.gz ITPNASQTLSGVPZ-UHFFFAOYSA-N -1 3 305.355 2.812 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2nccc3ccccc32)n[n-]1 ZINC000119551292 426297083 /nfs/dbraw/zinc/29/70/83/426297083.db2.gz JNJGCQMOXNBLNT-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2nccc3ccccc32)[n-]n1 ZINC000119551292 426297085 /nfs/dbraw/zinc/29/70/85/426297085.db2.gz JNJGCQMOXNBLNT-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)CSc2ccccc2)n[n-]1 ZINC000119598255 426300116 /nfs/dbraw/zinc/30/01/16/426300116.db2.gz QCAGCVCKESONBM-UHFFFAOYSA-N -1 3 313.386 2.541 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)CSc2ccccc2)[n-]n1 ZINC000119598255 426300119 /nfs/dbraw/zinc/30/01/19/426300119.db2.gz QCAGCVCKESONBM-UHFFFAOYSA-N -1 3 313.386 2.541 20 0 DFADHM CCc1cc(=O)[n-]c(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)n1 ZINC000119841021 426303479 /nfs/dbraw/zinc/30/34/79/426303479.db2.gz WRYIWIJMFJZISA-BBRMVZONSA-N -1 3 313.401 2.707 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)CO2 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O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(F)c1 ZINC000121207019 426325102 /nfs/dbraw/zinc/32/51/02/426325102.db2.gz ZMNMGXMNYFBWPE-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1[O-] ZINC000090480707 426328182 /nfs/dbraw/zinc/32/81/82/426328182.db2.gz XAMOPFJRIRAPED-UHFFFAOYSA-N -1 3 319.382 2.665 20 0 DFADHM Cc1nccn1CCCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000175814482 426331187 /nfs/dbraw/zinc/33/11/87/426331187.db2.gz WCUVGRCPOXGFKG-UHFFFAOYSA-N -1 3 307.781 2.761 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)c([O-])c1 ZINC000121302887 426332857 /nfs/dbraw/zinc/33/28/57/426332857.db2.gz CPOJLBODBRTYSA-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM CCCOc1cccc(CC(=O)[N-]OCc2cccnc2)c1 ZINC000152283330 426336091 /nfs/dbraw/zinc/33/60/91/426336091.db2.gz YVOBQTCRBXZYHH-UHFFFAOYSA-N -1 3 300.358 2.661 20 0 DFADHM Cc1cc(C)cc(OCCC(=O)[N-]OCc2cccnc2)c1 ZINC000152313974 426337861 /nfs/dbraw/zinc/33/78/61/426337861.db2.gz HOECAMTXUKZDPC-UHFFFAOYSA-N -1 3 300.358 2.715 20 0 DFADHM O=S(=O)([N-][C@@H](c1ccccc1F)C1CCCC1)c1c[nH]cn1 ZINC000088794631 426279088 /nfs/dbraw/zinc/27/90/88/426279088.db2.gz MKLGHMOCAHHDFP-OAHLLOKOSA-N -1 3 323.393 2.759 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cccc(Cl)c2F)n[n-]1 ZINC000119349569 426281684 /nfs/dbraw/zinc/28/16/84/426281684.db2.gz JTDSEJBKRUGRHI-UHFFFAOYSA-N -1 3 319.727 2.855 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cccc(Cl)c2F)[n-]n1 ZINC000119349569 426281687 /nfs/dbraw/zinc/28/16/87/426281687.db2.gz JTDSEJBKRUGRHI-UHFFFAOYSA-N -1 3 319.727 2.855 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)CC3CCC3)c[n-]c12 ZINC000151170697 426281920 /nfs/dbraw/zinc/28/19/20/426281920.db2.gz GXGAGPDIWFLBMD-UHFFFAOYSA-N -1 3 302.349 2.848 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@H](C)C2)c1 ZINC000119410604 426286540 /nfs/dbraw/zinc/28/65/40/426286540.db2.gz CYFGJXNWTDCFFQ-RYUDHWBXSA-N -1 3 304.390 2.859 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C12CCC2 ZINC000175189539 426286564 /nfs/dbraw/zinc/28/65/64/426286564.db2.gz WDFOIVLHADXWNU-HUUCEWRRSA-N -1 3 322.380 2.678 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(Cl)o3)[n-]c21 ZINC000122888586 426401403 /nfs/dbraw/zinc/40/14/03/426401403.db2.gz RBJMLDSQMVCCNB-UHFFFAOYSA-N -1 3 319.704 2.848 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Cl)o3)nc21 ZINC000122888586 426401405 /nfs/dbraw/zinc/40/14/05/426401405.db2.gz RBJMLDSQMVCCNB-UHFFFAOYSA-N -1 3 319.704 2.848 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2nnc(CC(C)C)s2)c1 ZINC000121422049 426341511 /nfs/dbraw/zinc/34/15/11/426341511.db2.gz KALMFTACOZSROW-UHFFFAOYSA-N -1 3 307.375 2.703 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000152394175 426342269 /nfs/dbraw/zinc/34/22/69/426342269.db2.gz DIPPMKFPUVDROH-MJGOQNOKSA-N -1 3 308.381 2.924 20 0 DFADHM CCc1ccc([O-])c(C(=O)N(C)C2(C(=O)OC)CCCCC2)c1 ZINC000091696549 426342751 /nfs/dbraw/zinc/34/27/51/426342751.db2.gz JCUSEHSDYSMGCS-UHFFFAOYSA-N -1 3 319.401 2.903 20 0 DFADHM C[C@H]1CC[C@H](CCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)O1 ZINC000175970295 426343039 /nfs/dbraw/zinc/34/30/39/426343039.db2.gz YXGGCVYSJDJKDA-WDEREUQCSA-N -1 3 318.352 2.897 20 0 DFADHM CCC1(C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)CCC1 ZINC000175980408 426343439 /nfs/dbraw/zinc/34/34/39/426343439.db2.gz SVQBWSAWMVSQJS-UHFFFAOYSA-N -1 3 300.362 2.999 20 0 DFADHM Cc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000091924409 426344659 /nfs/dbraw/zinc/34/46/59/426344659.db2.gz BJGTYBYGRFWLLC-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1)CO2 ZINC000152544596 426346223 /nfs/dbraw/zinc/34/62/23/426346223.db2.gz XVBYQITWTXCUFJ-AWEZNQCLSA-N -1 3 307.346 2.546 20 0 DFADHM CCCCOc1ncccc1CNC(=O)c1c([O-])cccc1O ZINC000092120054 426346280 /nfs/dbraw/zinc/34/62/80/426346280.db2.gz GRRGBDFATZUPAW-UHFFFAOYSA-N -1 3 316.357 2.602 20 0 DFADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1F)CO2 ZINC000152572134 426346848 /nfs/dbraw/zinc/34/68/48/426346848.db2.gz UXEDYCMAMCPCDG-ZDUSSCGKSA-N -1 3 307.346 2.546 20 0 DFADHM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000176083275 426350316 /nfs/dbraw/zinc/35/03/16/426350316.db2.gz ZKDQNDNXGTTXLH-BYVOGVQKSA-N -1 3 309.431 2.510 20 0 DFADHM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000176083354 426350944 /nfs/dbraw/zinc/35/09/44/426350944.db2.gz OEPFNSSGJNVENT-BYVOGVQKSA-N -1 3 309.431 2.510 20 0 DFADHM CCOc1cccnc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000176150191 426355654 /nfs/dbraw/zinc/35/56/54/426355654.db2.gz XAYYUXZKTZHZSW-UHFFFAOYSA-N -1 3 306.391 2.783 20 0 DFADHM CCOc1cccnc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000176175477 426357947 /nfs/dbraw/zinc/35/79/47/426357947.db2.gz NAFDFYLPMRIZRO-UHFFFAOYSA-N -1 3 300.290 2.522 20 0 DFADHM COc1ccc(NC(C)=O)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000094038338 426359249 /nfs/dbraw/zinc/35/92/49/426359249.db2.gz JLFNJJXHWNIFCQ-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000122332311 426369993 /nfs/dbraw/zinc/36/99/93/426369993.db2.gz LOLWHFVLLAITLP-SNVBAGLBSA-N -1 3 321.389 2.755 20 0 DFADHM O=C([N-]O[C@@H]1CCCCO1)c1c(F)cccc1Br ZINC000176323211 426370019 /nfs/dbraw/zinc/37/00/19/426370019.db2.gz GGHODHUTCRHLQG-SNVBAGLBSA-N -1 3 318.142 2.776 20 0 DFADHM COc1cc(Cl)c(Cl)cc1C(=O)[N-]N1CCCCC1=O ZINC000176330609 426370973 /nfs/dbraw/zinc/37/09/73/426370973.db2.gz GBZOEJQHZVPZGP-UHFFFAOYSA-N -1 3 317.172 2.659 20 0 DFADHM Cc1cnc(C(=O)Nc2cc(Br)ccc2[O-])cn1 ZINC000176431195 426381509 /nfs/dbraw/zinc/38/15/09/426381509.db2.gz RSPKQEWUDQCTQN-UHFFFAOYSA-N -1 3 308.135 2.505 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2CCCN2c2nccs2)c([O-])c1 ZINC000122550378 426381634 /nfs/dbraw/zinc/38/16/34/426381634.db2.gz JXITVGZKSXHOMK-GFCCVEGCSA-N -1 3 303.387 2.765 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000176537210 426392515 /nfs/dbraw/zinc/39/25/15/426392515.db2.gz CPAKSYIZXCYPKA-WFASDCNBSA-N -1 3 306.369 2.976 20 0 DFADHM CCc1cc(=O)[n-]c(CN(CC)Cc2ccc(OC)cc2)n1 ZINC000176816195 426417213 /nfs/dbraw/zinc/41/72/13/426417213.db2.gz LPOHNEVNEKHVKB-UHFFFAOYSA-N -1 3 301.390 2.775 20 0 DFADHM Cc1[nH]nc2ncc(NC(=O)Cc3ccc([O-])cc3Cl)cc12 ZINC000123180496 426418900 /nfs/dbraw/zinc/41/89/00/426418900.db2.gz AJABYWWQUHIFHM-UHFFFAOYSA-N -1 3 316.748 2.807 20 0 DFADHM Cc1ccc([C@@H]2CN(C(=O)c3cccc(C)c3[O-])CCO2)o1 ZINC000154279671 426433031 /nfs/dbraw/zinc/43/30/31/426433031.db2.gz JVIFMBARMOCZMB-HNNXBMFYSA-N -1 3 301.342 2.816 20 0 DFADHM C[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCC[C@H](C)C1 ZINC000177062494 426440465 /nfs/dbraw/zinc/44/04/65/426440465.db2.gz NCGSDYOCNHVXOZ-QWRGUYRKSA-N -1 3 312.360 2.521 20 0 DFADHM Cc1cnn(Cc2cc(C(=O)[N-]c3cccc(F)c3F)no2)c1 ZINC000123590365 426442775 /nfs/dbraw/zinc/44/27/75/426442775.db2.gz RQEQSFUHPWEIDY-UHFFFAOYSA-N -1 3 318.283 2.758 20 0 DFADHM C[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCC(C)CC1 ZINC000177121060 426444558 /nfs/dbraw/zinc/44/45/58/426444558.db2.gz BHQBUGVXAPLHTG-NSHDSACASA-N -1 3 312.360 2.521 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cncc2ccccc21 ZINC000340698368 269001395 /nfs/dbraw/zinc/00/13/95/269001395.db2.gz XFQLKXPOJRQKGM-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cncc2ccccc21 ZINC000340698368 269001398 /nfs/dbraw/zinc/00/13/98/269001398.db2.gz XFQLKXPOJRQKGM-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cncc2ccccc21 ZINC000340698368 269001400 /nfs/dbraw/zinc/00/14/00/269001400.db2.gz XFQLKXPOJRQKGM-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(N[C@H](c1cccnc1)C1CC1)c1c[n-]c2ccccc2c1=O ZINC000340708708 269002369 /nfs/dbraw/zinc/00/23/69/269002369.db2.gz XDUSKLHJFRDKPF-KRWDZBQOSA-N -1 3 319.364 2.804 20 0 DFADHM CCc1cc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)ccc1F ZINC000340748508 269007829 /nfs/dbraw/zinc/00/78/29/269007829.db2.gz HUZMZFOPBSBNIW-UHFFFAOYSA-N -1 3 303.337 2.682 20 0 DFADHM CC(=O)N[C@H](CC(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000124261052 426476963 /nfs/dbraw/zinc/47/69/63/426476963.db2.gz IDGJDRZLWAYTCP-MRXNPFEDSA-N -1 3 316.332 2.737 20 0 DFADHM COCCOc1ccccc1NC(=O)c1cc(C)ccc1[O-] ZINC000098110507 426478872 /nfs/dbraw/zinc/47/88/72/426478872.db2.gz SVRVDRDSGQANGO-UHFFFAOYSA-N -1 3 301.342 2.978 20 0 DFADHM CC1CCC(C)(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000101603186 426485065 /nfs/dbraw/zinc/48/50/65/426485065.db2.gz IFZCSQGFBVNWKX-UHFFFAOYSA-N -1 3 315.373 2.661 20 0 DFADHM Cc1cccc(C(=O)N(CCC2CCCCC2)CC(N)=O)c1[O-] ZINC000101683770 426485889 /nfs/dbraw/zinc/48/58/89/426485889.db2.gz IOWSPZUMOOUDJS-UHFFFAOYSA-N -1 3 318.417 2.599 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](c2nnc3ccccn32)C(C)C)c([O-])c1 ZINC000101829714 426486797 /nfs/dbraw/zinc/48/67/97/426486797.db2.gz BBUXPYOQURMAQP-MRXNPFEDSA-N -1 3 324.384 2.870 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]C2Cc3ccccc3C2)c1F ZINC000186371683 426515566 /nfs/dbraw/zinc/51/55/66/426515566.db2.gz IQWDBYYTSGZUMQ-UHFFFAOYSA-N -1 3 305.374 2.580 20 0 DFADHM Cc1ccc([C@H](NCc2ccc3c(c2)OCCO3)C(=O)[O-])cc1 ZINC000272405142 426516873 /nfs/dbraw/zinc/51/68/73/426516873.db2.gz IHOHSNMVAAXHJD-KRWDZBQOSA-N -1 3 313.353 2.682 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cn(C)nc2C(C)C)c1[O-] ZINC000280192640 426517241 /nfs/dbraw/zinc/51/72/41/426517241.db2.gz IGGPZGUTLAVTOZ-UHFFFAOYSA-N -1 3 303.362 2.818 20 0 DFADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C)s1)c1ccco1 ZINC000272426417 426522050 /nfs/dbraw/zinc/52/20/50/426522050.db2.gz ODYDNUVLFUWZGD-NSHDSACASA-N -1 3 315.416 2.706 20 0 DFADHM CC(C)c1cc(C(=O)N[C@H]2CCC(=O)NC2)c([O-])c(C(C)C)c1 ZINC000264233581 426522501 /nfs/dbraw/zinc/52/25/01/426522501.db2.gz MYDPFCQNCSHHHU-ZDUSSCGKSA-N -1 3 318.417 2.647 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@H](C)Cn2ccnc2C)c1 ZINC000195446010 426524924 /nfs/dbraw/zinc/52/49/24/426524924.db2.gz DPUBIZXAPDIORZ-LBPRGKRZSA-N -1 3 301.390 2.526 20 0 DFADHM Cc1cc(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)ccc1[O-] ZINC000272445777 426528178 /nfs/dbraw/zinc/52/81/78/426528178.db2.gz MZRMLXJGAKQQJP-INIZCTEOSA-N -1 3 324.380 2.578 20 0 DFADHM CCc1nccn1[C@@H]1CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000264293623 426530807 /nfs/dbraw/zinc/53/08/07/426530807.db2.gz PBULNGVRDSDRHY-CQSZACIVSA-N -1 3 313.401 2.937 20 0 DFADHM Cc1c([N-]S(=O)(=O)C[C@H]2CCCO2)cccc1C(F)(F)F ZINC000177873475 426531986 /nfs/dbraw/zinc/53/19/86/426531986.db2.gz RHBKPXDLSVRCGA-SNVBAGLBSA-N -1 3 323.336 2.935 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CCOc2ccccc2C)n1 ZINC000177914966 426539776 /nfs/dbraw/zinc/53/97/76/426539776.db2.gz XJVXGSAXDNPSOH-CQSZACIVSA-N -1 3 301.390 2.871 20 0 DFADHM Cc1csc([C@@H]2CN(Cc3cc([O-])cc(F)c3)CCO2)n1 ZINC000186206558 426494540 /nfs/dbraw/zinc/49/45/40/426494540.db2.gz UEMLNVBMCIZYGB-AWEZNQCLSA-N -1 3 308.378 2.870 20 0 DFADHM C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1cc([O-])cc(F)c1 ZINC000186224821 426495335 /nfs/dbraw/zinc/49/53/35/426495335.db2.gz ZVCHXLYTYNPXGN-NSHDSACASA-N -1 3 312.385 2.876 20 0 DFADHM C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186257860 426497683 /nfs/dbraw/zinc/49/76/83/426497683.db2.gz MGUIXGLECOOHLX-MJBXVCDLSA-N -1 3 319.401 2.817 20 0 DFADHM O=C([N-]C[C@@H](O)c1ccc2ccccc2c1)C(F)(F)C(F)F ZINC000177619378 426499396 /nfs/dbraw/zinc/49/93/96/426499396.db2.gz IXFNGLIKUBFXCS-GFCCVEGCSA-N -1 3 315.266 2.890 20 0 DFADHM CCCNC(=O)CCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186282398 426499907 /nfs/dbraw/zinc/49/99/07/426499907.db2.gz RSTVYVQKZGAEQN-GFCCVEGCSA-N -1 3 304.390 2.539 20 0 DFADHM COCc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)no1 ZINC000186320701 426504101 /nfs/dbraw/zinc/50/41/01/426504101.db2.gz YMEBRVIDUCIJNB-JTQLQIEISA-N -1 3 302.330 2.681 20 0 DFADHM CC(C)c1ccc(C(=O)NCc2nncn2C(C)C)c([O-])c1 ZINC000264143600 426504384 /nfs/dbraw/zinc/50/43/84/426504384.db2.gz XFPWUUHAFROXTD-UHFFFAOYSA-N -1 3 302.378 2.618 20 0 DFADHM CC(C)c1cc(C(=O)[N-]c2nc(-c3ccccc3)nn2C)on1 ZINC000280395115 426566316 /nfs/dbraw/zinc/56/63/16/426566316.db2.gz XDHXYGSXHJOXJS-UHFFFAOYSA-N -1 3 311.345 2.846 20 0 DFADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([O-])c(OC)c2)C1(C)C ZINC000272603835 426569667 /nfs/dbraw/zinc/56/96/67/426569667.db2.gz LOUOFNRLFYEYOK-CABCVRRESA-N -1 3 307.390 2.676 20 0 DFADHM CCC[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@@H](O)c1ccccc1 ZINC000280506027 426588363 /nfs/dbraw/zinc/58/83/63/426588363.db2.gz IAOJAEALNPBCOI-WBVHZDCISA-N -1 3 315.369 2.730 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c1F ZINC000273080664 426588958 /nfs/dbraw/zinc/58/89/58/426588958.db2.gz HDTDLPPPSSTHFX-LBPRGKRZSA-N -1 3 313.394 2.514 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)Nc1nc2c(s1)COCC2 ZINC000178276660 426597797 /nfs/dbraw/zinc/59/77/97/426597797.db2.gz OVFZZAXNQNHQFM-UHFFFAOYSA-N -1 3 324.789 2.756 20 0 DFADHM C[C@H]1C[C@H](CCNC(=O)c2cc(=O)c3ccccc3[n-]2)CCO1 ZINC000273124002 426598034 /nfs/dbraw/zinc/59/80/34/426598034.db2.gz FEPYLSIEXJUNKG-QWHCGFSZSA-N -1 3 314.385 2.875 20 0 DFADHM CO[C@@H](C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)C1CC1 ZINC000280557594 426600017 /nfs/dbraw/zinc/60/00/17/426600017.db2.gz LJPHNYMUNIYTHI-CYBMUJFWSA-N -1 3 312.329 2.581 20 0 DFADHM CO[C@@H](C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1)C1CC1 ZINC000280557594 426600022 /nfs/dbraw/zinc/60/00/22/426600022.db2.gz 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COC(=O)c1ccc(NC(=O)/C=C/c2cncc([O-])c2)cc1C ZINC000181978519 427001220 /nfs/dbraw/zinc/00/12/20/427001220.db2.gz BALKJVIPENPHDA-ZZXKWVIFSA-N -1 3 312.325 2.534 20 0 DFADHM C/C=C(\CC)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000190034515 427004600 /nfs/dbraw/zinc/00/46/00/427004600.db2.gz MXZMFYNFGUAOGX-QLKAYGNNSA-N -1 3 316.401 2.926 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]Cc1sccc1C ZINC000268396662 427006280 /nfs/dbraw/zinc/00/62/80/427006280.db2.gz OJIGZYLQVXZYKQ-UHFFFAOYSA-N -1 3 303.430 2.605 20 0 DFADHM CO[C@](C)(C(=O)Nc1cc(Br)ccc1[O-])C1CC1 ZINC000291848898 427006795 /nfs/dbraw/zinc/00/67/95/427006795.db2.gz CFWSEGIOWNURJU-ZDUSSCGKSA-N -1 3 314.179 2.908 20 0 DFADHM COC(=O)[C@]1(C)CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000268415841 427011440 /nfs/dbraw/zinc/01/14/40/427011440.db2.gz NJMOBHBZPNZXFW-QGZVFWFLSA-N -1 3 305.374 2.541 20 0 DFADHM CC(C)CCc1noc(CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000248574538 427017166 /nfs/dbraw/zinc/01/71/66/427017166.db2.gz UGODINXUHFHZJJ-RDBSUJKOSA-N -1 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Cc1noc([C@@H](C)[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 ZINC000330439533 427239571 /nfs/dbraw/zinc/23/95/71/427239571.db2.gz TTWLSCWDODKXSK-GFCCVEGCSA-N -1 3 323.418 2.651 20 0 DFADHM CCCN(CC1CCCCC1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000330447631 427241273 /nfs/dbraw/zinc/24/12/73/427241273.db2.gz RXZPXKKUPQZWJU-UHFFFAOYSA-N -1 3 320.437 2.681 20 0 DFADHM COC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C1CC1 ZINC000269655531 427241831 /nfs/dbraw/zinc/24/18/31/427241831.db2.gz OHWPCBYGSKIFSO-LBPRGKRZSA-N -1 3 303.736 2.973 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)c(F)c1 ZINC000183317380 427244323 /nfs/dbraw/zinc/24/43/23/427244323.db2.gz RIDCJGRHZBTWOV-CYBMUJFWSA-N -1 3 315.410 2.759 20 0 DFADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C(C)(C)O1 ZINC000183315975 427245583 /nfs/dbraw/zinc/24/55/83/427245583.db2.gz LEPOMEJLSMOXCC-LBPRGKRZSA-N -1 3 319.373 2.589 20 0 DFADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000330483721 427248403 /nfs/dbraw/zinc/24/84/03/427248403.db2.gz 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/nfs/dbraw/zinc/27/88/26/427278826.db2.gz BVJMVEYFLJYLMD-ZJUUUORDSA-N -1 3 321.801 2.573 20 0 DFADHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000277672850 427280013 /nfs/dbraw/zinc/28/00/13/427280013.db2.gz GFAWLWRUWPXEAO-GZMMTYOYSA-N -1 3 324.229 2.697 20 0 DFADHM Cc1cccc(C(=O)N[C@@H]2CCO[C@H](c3cccnc3)C2)c1[O-] ZINC000296936136 427282287 /nfs/dbraw/zinc/28/22/87/427282287.db2.gz IVNCEMQQAKHRPV-ZBFHGGJFSA-N -1 3 312.369 2.746 20 0 DFADHM CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000269823131 427283061 /nfs/dbraw/zinc/28/30/61/427283061.db2.gz WMOCMLXTSOPEME-UHFFFAOYSA-N -1 3 323.817 2.556 20 0 DFADHM Cc1nn(C)c(Cl)c1/C=C\C(=O)Nc1cc(F)ccc1[O-] ZINC000255905044 427299313 /nfs/dbraw/zinc/29/93/13/427299313.db2.gz QYIQBWSSYUQKAR-XQRVVYSFSA-N -1 3 309.728 2.879 20 0 DFADHM CCc1ccc2occ(C(=O)N3CCc4nc[n-]c(=O)c4C3)c2c1 ZINC000285658622 427302929 /nfs/dbraw/zinc/30/29/29/427302929.db2.gz DAQXKAQSMARFST-UHFFFAOYSA-N -1 3 323.352 2.689 20 0 DFADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cnc(C)s2)cs1 ZINC000269925895 427308231 /nfs/dbraw/zinc/30/82/31/427308231.db2.gz BXQFGVSXUJNHFV-ZETCQYMHSA-N -1 3 317.461 2.510 20 0 DFADHM CCC1(CC)Oc2ccc(NC([O-])=NOCC(C)(C)O)cc2O1 ZINC000285683158 427308613 /nfs/dbraw/zinc/30/86/13/427308613.db2.gz AHVXQZIXUQDDEU-UHFFFAOYSA-N -1 3 324.377 2.798 20 0 DFADHM CCC1(CC)Oc2ccc(NC(=O)[N-]OCC(C)(C)O)cc2O1 ZINC000285683158 427308617 /nfs/dbraw/zinc/30/86/17/427308617.db2.gz AHVXQZIXUQDDEU-UHFFFAOYSA-N -1 3 324.377 2.798 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]C[C@H](C)Cc2cccs2)s1 ZINC000269932401 427310202 /nfs/dbraw/zinc/31/02/02/427310202.db2.gz DBNGIFXLVICUKA-SECBINFHSA-N -1 3 316.473 2.670 20 0 DFADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[N-]c1nncn1C1CC1 ZINC000285694345 427310373 /nfs/dbraw/zinc/31/03/73/427310373.db2.gz HCTOORIHOXKWAN-MRVPVSSYSA-N -1 3 324.743 2.812 20 0 DFADHM O=S(=O)([N-][C@@H]1CCCc2occc21)c1cncc(Cl)c1 ZINC000269933643 427310651 /nfs/dbraw/zinc/31/06/51/427310651.db2.gz DFONBLPLDAARTJ-GFCCVEGCSA-N -1 3 312.778 2.684 20 0 DFADHM CCOC(=O)Cc1cccc(NC(=O)[N-]OC[C@H](C)CC)c1 ZINC000293426798 427320461 /nfs/dbraw/zinc/32/04/61/427320461.db2.gz TXNVEUBXHZYPIA-GFCCVEGCSA-N -1 3 308.378 2.891 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000285725896 427320506 /nfs/dbraw/zinc/32/05/06/427320506.db2.gz GBYWBQPLCZJZEB-NSHDSACASA-N -1 3 308.378 2.800 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000277801125 427323358 /nfs/dbraw/zinc/32/33/58/427323358.db2.gz VQRSEDLKIVOOSY-RULNRJAQSA-N -1 3 302.353 2.890 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000277801125 427323361 /nfs/dbraw/zinc/32/33/61/427323361.db2.gz VQRSEDLKIVOOSY-RULNRJAQSA-N -1 3 302.353 2.890 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000277801125 427323364 /nfs/dbraw/zinc/32/33/64/427323364.db2.gz VQRSEDLKIVOOSY-RULNRJAQSA-N -1 3 302.353 2.890 20 0 DFADHM O=C([N-][C@H]1CCCC[C@H]1O)C(F)(F)c1cccc(Cl)c1 ZINC000270334615 427323614 /nfs/dbraw/zinc/32/36/14/427323614.db2.gz SYFYPFHXRLIQSB-NWDGAFQWSA-N -1 3 303.736 2.852 20 0 DFADHM Cc1ccc(CNCc2ncccc2[O-])c(-c2cnn(C)c2)c1 ZINC000338446376 427328249 /nfs/dbraw/zinc/32/82/49/427328249.db2.gz PCVGHYAYDDTRGY-UHFFFAOYSA-N -1 3 308.385 2.786 20 0 DFADHM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cccc(OC)c2[O-])[nH]1 ZINC000277814836 427330315 /nfs/dbraw/zinc/33/03/15/427330315.db2.gz LICKFPNTIFBMCQ-VHSXEESVSA-N -1 3 318.377 2.523 20 0 DFADHM CC(C)(C)c1nnsc1C(=O)[N-]c1nc2c(s1)COCC2 ZINC000191405536 427342195 /nfs/dbraw/zinc/34/21/95/427342195.db2.gz INGMPCNEYCLRSS-UHFFFAOYSA-N -1 3 324.431 2.617 20 0 DFADHM Cc1ccc(-c2nc(C(=O)[N-]c3nncn3C3CC3)cs2)o1 ZINC000285809184 427344323 /nfs/dbraw/zinc/34/43/23/427344323.db2.gz NGMNCZIVMFGIIN-UHFFFAOYSA-N -1 3 315.358 2.890 20 0 DFADHM [O-]c1ccc(F)c(CNC[C@@H](O)CCc2ccccc2)c1F ZINC000293513255 427348535 /nfs/dbraw/zinc/34/85/35/427348535.db2.gz CHUYMTRMAYBHDK-ZDUSSCGKSA-N -1 3 307.340 2.754 20 0 DFADHM C[C@@H]1C[C@H](C(=O)NCc2nnc(C(F)(F)F)[n-]2)CC(C)(C)C1 ZINC000331116766 427349171 /nfs/dbraw/zinc/34/91/71/427349171.db2.gz MJKYPEJVBKPLDB-BDAKNGLRSA-N -1 3 318.343 2.902 20 0 DFADHM C[C@@H]1C[C@H](C(=O)NCc2n[n-]c(C(F)(F)F)n2)CC(C)(C)C1 ZINC000331116766 427349176 /nfs/dbraw/zinc/34/91/76/427349176.db2.gz MJKYPEJVBKPLDB-BDAKNGLRSA-N -1 3 318.343 2.902 20 0 DFADHM C[C@@H]1C[C@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC(C)(C)C1 ZINC000331116766 427349181 /nfs/dbraw/zinc/34/91/81/427349181.db2.gz MJKYPEJVBKPLDB-BDAKNGLRSA-N -1 3 318.343 2.902 20 0 DFADHM C[C@H]1CCC[C@@H](CC(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331125225 427349622 /nfs/dbraw/zinc/34/96/22/427349622.db2.gz QFWLYXMVZDICOQ-DTWKUNHWSA-N -1 3 304.316 2.656 20 0 DFADHM C[C@H]1CCC[C@@H](CC(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331125225 427349627 /nfs/dbraw/zinc/34/96/27/427349627.db2.gz QFWLYXMVZDICOQ-DTWKUNHWSA-N -1 3 304.316 2.656 20 0 DFADHM C[C@H]1CCC[C@@H](CC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331125225 427349634 /nfs/dbraw/zinc/34/96/34/427349634.db2.gz QFWLYXMVZDICOQ-DTWKUNHWSA-N -1 3 304.316 2.656 20 0 DFADHM C[C@@H]1CCC[C@@H](CC(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331125227 427349811 /nfs/dbraw/zinc/34/98/11/427349811.db2.gz QFWLYXMVZDICOQ-RKDXNWHRSA-N -1 3 304.316 2.656 20 0 DFADHM C[C@@H]1CCC[C@@H](CC(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331125227 427349815 /nfs/dbraw/zinc/34/98/15/427349815.db2.gz QFWLYXMVZDICOQ-RKDXNWHRSA-N -1 3 304.316 2.656 20 0 DFADHM C[C@@H]1CCC[C@@H](CC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331125227 427349820 /nfs/dbraw/zinc/34/98/20/427349820.db2.gz QFWLYXMVZDICOQ-RKDXNWHRSA-N -1 3 304.316 2.656 20 0 DFADHM CC(C)O[N-]C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000297173523 427350149 /nfs/dbraw/zinc/35/01/49/427350149.db2.gz KNKQSMGWYLXGFX-GFCCVEGCSA-N -1 3 323.368 2.526 20 0 DFADHM CCC1(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CCCCC1 ZINC000331120388 427350464 /nfs/dbraw/zinc/35/04/64/427350464.db2.gz OIPLFMNGFIRRPR-UHFFFAOYSA-N -1 3 304.316 2.800 20 0 DFADHM CCC1(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CCCCC1 ZINC000331120388 427350469 /nfs/dbraw/zinc/35/04/69/427350469.db2.gz OIPLFMNGFIRRPR-UHFFFAOYSA-N -1 3 304.316 2.800 20 0 DFADHM CCC1(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCCCC1 ZINC000331120388 427350472 /nfs/dbraw/zinc/35/04/72/427350472.db2.gz OIPLFMNGFIRRPR-UHFFFAOYSA-N -1 3 304.316 2.800 20 0 DFADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C)o2)cs1 ZINC000330662611 427288613 /nfs/dbraw/zinc/28/86/13/427288613.db2.gz UJJPKCYSFIKNHY-VIFPVBQESA-N -1 3 300.405 2.646 20 0 DFADHM O=C([N-]N1Cc2ccccc2C1=O)c1cc(C2CCCCC2)[nH]n1 ZINC000183849491 427351981 /nfs/dbraw/zinc/35/19/81/427351981.db2.gz MNNGTABGXDRTMM-UHFFFAOYSA-N -1 3 324.384 2.758 20 0 DFADHM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2c([O-])cccc2F)n[nH]1 ZINC000277705247 427291193 /nfs/dbraw/zinc/29/11/93/427291193.db2.gz DTYKSVGQIKAAOI-RKDXNWHRSA-N -1 3 306.341 2.654 20 0 DFADHM CC(C)(CO)ON=C([O-])Nc1ccnc(Oc2ccccc2)c1 ZINC000296971850 427291537 /nfs/dbraw/zinc/29/15/37/427291537.db2.gz SOFFAYOFMZCUDZ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/35/20/55/427352055.db2.gz QFWLYXMVZDICOQ-IUCAKERBSA-N -1 3 304.316 2.656 20 0 DFADHM C[C@H]1CCC[C@H](CC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331125226 427352062 /nfs/dbraw/zinc/35/20/62/427352062.db2.gz QFWLYXMVZDICOQ-IUCAKERBSA-N -1 3 304.316 2.656 20 0 DFADHM CSc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)nc1 ZINC000338389648 427298307 /nfs/dbraw/zinc/29/83/07/427298307.db2.gz JNTHWDDBQFMBMW-UHFFFAOYSA-N -1 3 311.370 2.841 20 0 DFADHM CCOc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1C ZINC000277970646 427373055 /nfs/dbraw/zinc/37/30/55/427373055.db2.gz DLHXJIBMIZBVEM-SNVBAGLBSA-N -1 3 316.279 2.771 20 0 DFADHM CC[C@H](Oc1ccccc1Cl)C(=O)[N-]c1nncn1CC ZINC000285917139 427373081 /nfs/dbraw/zinc/37/30/81/427373081.db2.gz SRUCAVXYPHBTAX-NSHDSACASA-N -1 3 308.769 2.748 20 0 DFADHM C[C@@H](NCc1cccc([O-])c1Cl)C(=O)N1CCCC[C@H]1C ZINC000293588814 427373789 /nfs/dbraw/zinc/37/37/89/427373789.db2.gz ODRLJNSBKFQSPF-VXGBXAGGSA-N -1 3 310.825 2.925 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC(OCC(C)C)CC2)cc1[O-] ZINC000331230632 427374468 /nfs/dbraw/zinc/37/44/68/427374468.db2.gz HHAINNABWLGMAR-UHFFFAOYSA-N -1 3 319.401 2.872 20 0 DFADHM CC[C@@H](Oc1ccccc1Cl)C(=O)[N-]c1nncn1CC ZINC000285917138 427374646 /nfs/dbraw/zinc/37/46/46/427374646.db2.gz SRUCAVXYPHBTAX-LLVKDONJSA-N -1 3 308.769 2.748 20 0 DFADHM CCn1cnnc1[N-]C(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000285930650 427376882 /nfs/dbraw/zinc/37/68/82/427376882.db2.gz UGQKOXFCDGKVHQ-LBPRGKRZSA-N -1 3 302.378 2.827 20 0 DFADHM CCCOc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278003065 427381878 /nfs/dbraw/zinc/38/18/78/427381878.db2.gz GAHRWZDCRXIAKZ-NSHDSACASA-N -1 3 316.279 2.853 20 0 DFADHM CN(C)C(=O)[C@H]1CCC[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000293612472 427382027 /nfs/dbraw/zinc/38/20/27/427382027.db2.gz PVWUUYHWSACXMC-WCQYABFASA-N -1 3 310.825 2.782 20 0 DFADHM CCCOc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278003060 427383294 /nfs/dbraw/zinc/38/32/94/427383294.db2.gz GAHRWZDCRXIAKZ-LLVKDONJSA-N -1 3 316.279 2.853 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@@H]2C)s1 ZINC000339044584 271644250 /nfs/dbraw/zinc/64/42/50/271644250.db2.gz CHFAYGLOOYFXBK-ONGXEEELSA-N -1 3 302.465 2.945 20 0 DFADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)[C@@H]1C ZINC000339049296 271646225 /nfs/dbraw/zinc/64/62/25/271646225.db2.gz MFDFECQTSCBQNQ-BREBYQMCSA-N -1 3 302.827 2.838 20 0 DFADHM COCCCOc1ccc(CNC(=O)c2cccc([O-])c2)cc1 ZINC000285972862 427390454 /nfs/dbraw/zinc/39/04/54/427390454.db2.gz OUJIKAQBFPJYCW-UHFFFAOYSA-N -1 3 315.369 2.738 20 0 DFADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000263017631 427396264 /nfs/dbraw/zinc/39/62/64/427396264.db2.gz DJXMKUXFRWNBPN-QWHCGFSZSA-N -1 3 317.364 2.554 20 0 DFADHM Cc1nc(C)c(CCC(=O)NCCC2=CCCCCC2)c(=O)[n-]1 ZINC000184139328 427403383 /nfs/dbraw/zinc/40/33/83/427403383.db2.gz ZEYQWQJKMMASDM-UHFFFAOYSA-N -1 3 317.433 2.716 20 0 DFADHM CC[C@@H](C)n1nc([N-]S(=O)(=O)N2CCCCCC2)cc1C ZINC000331447576 427413443 /nfs/dbraw/zinc/41/34/43/427413443.db2.gz LHAYGPYDTLOPHQ-GFCCVEGCSA-N -1 3 314.455 2.695 20 0 DFADHM CC(C)C[C@H](NC(=O)CN(C)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000263109302 427417141 /nfs/dbraw/zinc/41/71/41/427417141.db2.gz BPDOPTWHQPWPGK-HOCLYGCPSA-N -1 3 320.433 2.543 20 0 DFADHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000331163174 427359080 /nfs/dbraw/zinc/35/90/80/427359080.db2.gz FYTUMEOXIOMHDG-NXEZZACHSA-N -1 3 324.229 2.839 20 0 DFADHM O=C(CCc1ccccc1OC(F)(F)F)[N-]OCC1CC1 ZINC000293824553 427450001 /nfs/dbraw/zinc/45/00/01/427450001.db2.gz RWEYZNRSQYSXHZ-UHFFFAOYSA-N -1 3 303.280 2.976 20 0 DFADHM CCCOc1ccc(CN2CC[C@@H](C(=O)[O-])C2)cc1OCC ZINC000263436019 427487915 /nfs/dbraw/zinc/48/79/15/427487915.db2.gz UQWGTXBGDVJPHG-CQSZACIVSA-N -1 3 307.390 2.781 20 0 DFADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000338722482 427455892 /nfs/dbraw/zinc/45/58/92/427455892.db2.gz CILHTCLDAMHQAU-DTWKUNHWSA-N -1 3 309.840 2.637 20 0 DFADHM CSC1(C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000278817527 427463870 /nfs/dbraw/zinc/46/38/70/427463870.db2.gz SWKTYEGOHSGKFK-UHFFFAOYSA-N -1 3 311.881 2.884 20 0 DFADHM Cc1ccc(CS(=O)(=O)[N-][C@@H]2COc3ccccc32)c(F)c1 ZINC000192018843 427464632 /nfs/dbraw/zinc/46/46/32/427464632.db2.gz HBVAFTYELLMOJN-OAHLLOKOSA-N -1 3 321.373 2.687 20 0 DFADHM CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184483969 427471790 /nfs/dbraw/zinc/47/17/90/427471790.db2.gz NWGMUYLLPGOGRW-WMLDXEAASA-N -1 3 317.429 2.894 20 0 DFADHM Cc1cnc([C@@H](C)CNC(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000184485063 427472265 /nfs/dbraw/zinc/47/22/65/427472265.db2.gz RABPYYSGFAHTRU-VIFPVBQESA-N -1 3 323.393 2.899 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)c1cc(Br)c(=O)[nH]c1C ZINC000293877157 427474875 /nfs/dbraw/zinc/47/48/75/427474875.db2.gz YSXYWVWDWAQULS-SSDOTTSWSA-N -1 3 317.183 2.566 20 0 DFADHM C[C@H]1C[C@@H](Nc2cccc(C(=O)[O-])n2)CN1Cc1ccccc1 ZINC000263381868 427477243 /nfs/dbraw/zinc/47/72/43/427477243.db2.gz CSWRGUBVDBWPOE-DZGCQCFKSA-N -1 3 311.385 2.855 20 0 DFADHM COC[C@@H]1CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000293918952 427488891 /nfs/dbraw/zinc/48/88/91/427488891.db2.gz MZLPNNNGTABPGW-INIZCTEOSA-N -1 3 311.381 2.844 20 0 DFADHM CC[C@@H](C)CON=C([O-])Nc1cccnc1OCC(F)F ZINC000297661418 427422244 /nfs/dbraw/zinc/42/22/44/427422244.db2.gz FIDPLBALXOHZQF-SECBINFHSA-N -1 3 303.309 2.825 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccnc1OCC(F)F ZINC000297661418 427422250 /nfs/dbraw/zinc/42/22/50/427422250.db2.gz FIDPLBALXOHZQF-SECBINFHSA-N -1 3 303.309 2.825 20 0 DFADHM O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccc2n[n-]nc2c1 ZINC000293755897 427426658 /nfs/dbraw/zinc/42/66/58/427426658.db2.gz WUZPNTAYFFASMD-JTQLQIEISA-N -1 3 308.332 2.903 20 0 DFADHM COc1cc(C)nc([N-]C(=O)c2ncsc2C(F)(F)F)n1 ZINC000297730827 427437552 /nfs/dbraw/zinc/43/75/52/427437552.db2.gz JAJZZHBGXADEEG-UHFFFAOYSA-N -1 3 318.280 2.521 20 0 DFADHM Cc1cc(-c2ncccc2NC([O-])=NOCC(C)(C)O)cs1 ZINC000286181425 427445787 /nfs/dbraw/zinc/44/57/87/427445787.db2.gz MZNOIPGPKOSXLE-UHFFFAOYSA-N -1 3 321.402 2.943 20 0 DFADHM Cc1cc(-c2ncccc2NC(=O)[N-]OCC(C)(C)O)cs1 ZINC000286181425 427445795 /nfs/dbraw/zinc/44/57/95/427445795.db2.gz MZNOIPGPKOSXLE-UHFFFAOYSA-N -1 3 321.402 2.943 20 0 DFADHM COc1cc2c(c(CNC[C@@H](CC(C)C)C(=O)[O-])c1)O[C@@H](C)C2 ZINC000263483793 427498215 /nfs/dbraw/zinc/49/82/15/427498215.db2.gz LRMQVKZNFZHHHH-SWLSCSKDSA-N -1 3 321.417 2.855 20 0 DFADHM C[C@@H](CN(C)Cc1cnn(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000263494513 427500991 /nfs/dbraw/zinc/50/09/91/427500991.db2.gz JIXPBMHUZZZOPW-NSHDSACASA-N -1 3 307.781 2.678 20 0 DFADHM Cc1ocnc1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338812382 427502603 /nfs/dbraw/zinc/50/26/03/427502603.db2.gz RKGLTFBMBQSWKZ-UHFFFAOYSA-N -1 3 300.236 2.637 20 0 DFADHM C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)c1ccon1 ZINC000338811716 427503096 /nfs/dbraw/zinc/50/30/96/427503096.db2.gz DTTKGEOYNUOSFZ-ZETCQYMHSA-N -1 3 300.236 2.890 20 0 DFADHM COC[C@@](C)(NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000341256611 271804264 /nfs/dbraw/zinc/80/42/64/271804264.db2.gz 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/nfs/dbraw/zinc/52/21/36/427522136.db2.gz NAXCOYYQGCUNDY-UHFFFAOYSA-N -1 3 304.346 2.671 20 0 DFADHM CC[C@H](C)c1ccc([C@H](NCC(=O)NCC(=O)[O-])C(C)C)cc1 ZINC000263572373 427522947 /nfs/dbraw/zinc/52/29/47/427522947.db2.gz KWQWSUXNLQIHBO-SCLBCKFNSA-N -1 3 320.433 2.688 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CCC(F)(F)C2)n[n-]1 ZINC000332142146 427523258 /nfs/dbraw/zinc/52/32/58/427523258.db2.gz FHDBREZHZMZHDK-SECBINFHSA-N -1 3 322.315 2.854 20 0 DFADHM CCc1cc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)ccc1[O-] ZINC000294023323 427524124 /nfs/dbraw/zinc/52/41/24/427524124.db2.gz FIHZJRHPUSUPOK-QGZVFWFLSA-N -1 3 315.413 2.986 20 0 DFADHM Cc1noc([C@@H]2CCCCN2C(=O)c2ccc([O-])c(C)c2)n1 ZINC000286430097 427525807 /nfs/dbraw/zinc/52/58/07/427525807.db2.gz NOBYIFQBBORLHU-ZDUSSCGKSA-N -1 3 301.346 2.759 20 0 DFADHM C[C@H](C(=O)[O-])N(C)Cc1cncc(OCc2ccccc2)c1 ZINC000263579468 427526211 /nfs/dbraw/zinc/52/62/11/427526211.db2.gz UTSPIXURSVMGDR-CYBMUJFWSA-N -1 3 300.358 2.566 20 0 DFADHM C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000263654956 427531753 /nfs/dbraw/zinc/53/17/53/427531753.db2.gz HCNXRSUEFBGQEC-VIFPVBQESA-N -1 3 310.781 2.679 20 0 DFADHM Cc1cc(C[N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)on1 ZINC000338874817 427532540 /nfs/dbraw/zinc/53/25/40/427532540.db2.gz RUFRXSKWONTQJU-UHFFFAOYSA-N -1 3 316.329 2.540 20 0 DFADHM CCC1(O)CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)CC1 ZINC000286451424 427534410 /nfs/dbraw/zinc/53/44/10/427534410.db2.gz XIXXFWDLIMOHBP-UHFFFAOYSA-N -1 3 314.385 2.626 20 0 DFADHM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000184781543 427537706 /nfs/dbraw/zinc/53/77/06/427537706.db2.gz RQIWAIJSYGXVTR-SSDWJNDTSA-N -1 3 309.369 2.805 20 0 DFADHM COc1ccc([C@@H](O)CNCc2cccc([O-])c2Cl)cc1 ZINC000294061996 427538021 /nfs/dbraw/zinc/53/80/21/427538021.db2.gz JZDJZDMEMQBYCD-HNNXBMFYSA-N -1 3 307.777 2.877 20 0 DFADHM C[C@@H]1CCCC[C@@H]1OCCN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332202532 427543566 /nfs/dbraw/zinc/54/35/66/427543566.db2.gz QVQICFOXQYNOGR-RDBSUJKOSA-N -1 3 309.410 2.550 20 0 DFADHM CO[C@@]1(C)CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000332206180 427544918 /nfs/dbraw/zinc/54/49/18/427544918.db2.gz DVJGJSDOZBKVDA-KRWDZBQOSA-N -1 3 305.374 2.626 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccc([C@@H](C)O)cc1 ZINC000184862590 427554170 /nfs/dbraw/zinc/55/41/70/427554170.db2.gz HXBANENECJNXNM-GFCCVEGCSA-N -1 3 323.389 2.666 20 0 DFADHM Cc1c(C(=O)[N-]c2n[nH]c(C3CCC3)n2)oc2c1C(=O)CCC2 ZINC000184565489 427490738 /nfs/dbraw/zinc/49/07/38/427490738.db2.gz KEZJBEIZAHQGTA-UHFFFAOYSA-N -1 3 314.345 2.745 20 0 DFADHM Cc1oc2ccccc2c1C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000341658279 271871368 /nfs/dbraw/zinc/87/13/68/271871368.db2.gz XYQFBEMFBMXZPA-UHFFFAOYSA-N -1 3 320.345 2.754 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2cc([C@H]3CCCO3)nn2C)c1 ZINC000279255760 427614115 /nfs/dbraw/zinc/61/41/15/427614115.db2.gz HRUGTUAKYZFESK-CQSZACIVSA-N -1 3 301.346 2.538 20 0 DFADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000272048277 427615401 /nfs/dbraw/zinc/61/54/01/427615401.db2.gz MPGAJXPZPUZLTR-QWHCGFSZSA-N -1 3 315.410 2.698 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCSC1)c1ccc(Cl)s1 ZINC000287491692 427624326 /nfs/dbraw/zinc/62/43/26/427624326.db2.gz RBSGSJNIVDRNQE-MRVPVSSYSA-N -1 3 311.881 2.823 20 0 DFADHM CC(C)(CNC(=O)c1c[n-]c2ccncc2c1=O)c1ccccc1 ZINC000341709691 271881210 /nfs/dbraw/zinc/88/12/10/271881210.db2.gz LNEJMJZMGICPNO-UHFFFAOYSA-N -1 3 321.380 2.631 20 0 DFADHM O=C(Cc1cn2ccccc2n1)Nc1ccc(Cl)cc1[O-] ZINC000339007197 427622558 /nfs/dbraw/zinc/62/25/58/427622558.db2.gz LSMBOHXMSIWBJG-UHFFFAOYSA-N -1 3 301.733 2.875 20 0 DFADHM CC(C)(C)c1ncc(CNc2ccc3c(c2)C(=O)[N-]C3=O)s1 ZINC000279101270 427558361 /nfs/dbraw/zinc/55/83/61/427558361.db2.gz VFQWABYVURDCOL-UHFFFAOYSA-N -1 3 315.398 2.936 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCCCC(F)(F)C1)c1cncc(F)c1 ZINC000332255856 427559632 /nfs/dbraw/zinc/55/96/32/427559632.db2.gz AFIIMFVXLXEXMV-SNVBAGLBSA-N -1 3 322.352 2.715 20 0 DFADHM 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CCc1nc([C@H]2CCCCN2C(=O)c2ccccc2[O-])no1 ZINC000370938260 428323428 /nfs/dbraw/zinc/32/34/28/428323428.db2.gz YEIYZIHQBAECCV-GFCCVEGCSA-N -1 3 301.346 2.705 20 0 DFADHM Cc1ncc(CN[C@@H](C)c2cccc(OC(F)F)c2)c(=O)[n-]1 ZINC000346802927 428324706 /nfs/dbraw/zinc/32/47/06/428324706.db2.gz DVCRGOAQDLUCAX-VIFPVBQESA-N -1 3 309.316 2.943 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCCCC[C@@H]1O ZINC000360534360 428336692 /nfs/dbraw/zinc/33/66/92/428336692.db2.gz YVVRJRICGCXPJK-HOCLYGCPSA-N -1 3 309.381 2.664 20 0 DFADHM CCc1cc(C(=O)NCc2ccc(OC)c(O)c2)ccc1[O-] ZINC000342178774 428338394 /nfs/dbraw/zinc/33/83/94/428338394.db2.gz KFJQERBEWBOWIY-UHFFFAOYSA-N -1 3 301.342 2.599 20 0 DFADHM COCCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000352987791 428339312 /nfs/dbraw/zinc/33/93/12/428339312.db2.gz UVGABUWLUSSHGV-UHFFFAOYSA-N -1 3 309.790 2.573 20 0 DFADHM C[C@@H]1[C@H](C(=O)[N-][C@@H](c2nccs2)C(F)(F)F)C1(F)F ZINC000356876175 428344405 /nfs/dbraw/zinc/34/44/05/428344405.db2.gz UQFNKMLTUUVSCZ-PBXRRBTRSA-N 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CCN(C(=O)c1cc(F)cc2[n-]nnc21)c1nc(C)cs1 ZINC000433379178 429030862 /nfs/dbraw/zinc/03/08/62/429030862.db2.gz SUHSMKNDYGBUSG-UHFFFAOYSA-N -1 3 305.338 2.529 20 0 DFADHM CCN(C(=O)c1cc(F)cc2nn[n-]c21)c1nc(C)cs1 ZINC000433379178 429030866 /nfs/dbraw/zinc/03/08/66/429030866.db2.gz SUHSMKNDYGBUSG-UHFFFAOYSA-N -1 3 305.338 2.529 20 0 DFADHM CCN(C(=O)c1cc(F)cc2n[n-]nc21)c1nc(C)cs1 ZINC000433379178 429030871 /nfs/dbraw/zinc/03/08/71/429030871.db2.gz SUHSMKNDYGBUSG-UHFFFAOYSA-N -1 3 305.338 2.529 20 0 DFADHM COCC1(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)CCCC1 ZINC000412199160 428979962 /nfs/dbraw/zinc/97/99/62/428979962.db2.gz VTIRHCGMHBLCOM-UHFFFAOYSA-N -1 3 304.350 2.518 20 0 DFADHM COCC1(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)CCCC1 ZINC000412199160 428979966 /nfs/dbraw/zinc/97/99/66/428979966.db2.gz VTIRHCGMHBLCOM-UHFFFAOYSA-N -1 3 304.350 2.518 20 0 DFADHM COCC1(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)CCCC1 ZINC000412199160 428979970 /nfs/dbraw/zinc/97/99/70/428979970.db2.gz VTIRHCGMHBLCOM-UHFFFAOYSA-N -1 3 304.350 2.518 20 0 DFADHM CCc1onc(C)c1[N-]C(=O)c1cn(-c2ccccc2C)nn1 ZINC000412217429 428985740 /nfs/dbraw/zinc/98/57/40/428985740.db2.gz LIGOMBVXEXBTSD-UHFFFAOYSA-N -1 3 311.345 2.687 20 0 DFADHM Cc1cc(NC(=O)c2ccc([O-])c(C)c2)nn1-c1ccccc1 ZINC000354478402 428992342 /nfs/dbraw/zinc/99/23/42/428992342.db2.gz BSCYDUCWDURQRF-UHFFFAOYSA-N -1 3 307.353 3.447 20 0 DFADHM COCC1(CNC(=O)Cc2ccc([O-])c(F)c2)CCCCC1 ZINC000451865506 429002155 /nfs/dbraw/zinc/00/21/55/429002155.db2.gz UXZVQPUMZDUHDL-UHFFFAOYSA-N -1 3 309.381 2.787 20 0 DFADHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000451875850 429005542 /nfs/dbraw/zinc/00/55/42/429005542.db2.gz WJDBZKDMRAZPHG-RKDXNWHRSA-N -1 3 309.840 2.556 20 0 DFADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000349609878 429012637 /nfs/dbraw/zinc/01/26/37/429012637.db2.gz KGRHXJLEIQDRRZ-SMDDNHRTSA-N -1 3 309.435 2.651 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCSC2(CCC2)CC1 ZINC000412464909 429047621 /nfs/dbraw/zinc/04/76/21/429047621.db2.gz POBLHVKXLITCQR-UHFFFAOYSA-N -1 3 309.406 2.962 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@H](C)CCOC)c([O-])c1 ZINC000412490069 429053367 /nfs/dbraw/zinc/05/33/67/429053367.db2.gz UWJBTVPQTSTTBX-ZDUSSCGKSA-N -1 3 309.406 2.974 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2ccc(C)cc2C)s1 ZINC000433838609 429055608 /nfs/dbraw/zinc/05/56/08/429055608.db2.gz LEKIZANGBAIWQF-UHFFFAOYSA-N -1 3 324.471 2.898 20 0 DFADHM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cccc(C)c2)nc1C ZINC000452097950 429056078 /nfs/dbraw/zinc/05/60/78/429056078.db2.gz FJSCCFVHMNSVSB-GFCCVEGCSA-N -1 3 307.419 2.559 20 0 DFADHM COC(=O)[C@@H](CC1CC1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000412523355 429057997 /nfs/dbraw/zinc/05/79/97/429057997.db2.gz QEHYRWSWBSLGNT-OAHLLOKOSA-N -1 3 313.353 2.617 20 0 DFADHM CSc1ccc(C(=O)N2CCC[C@H]2c2cc[nH]n2)c([O-])c1 ZINC000376129198 429062524 /nfs/dbraw/zinc/06/25/24/429062524.db2.gz RMWTXQVXWWFWBM-ZDUSSCGKSA-N -1 3 303.387 2.815 20 0 DFADHM Cc1cnc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)o1 ZINC000434148059 429074546 /nfs/dbraw/zinc/07/45/46/429074546.db2.gz MIDOZLIOHNWOIM-UHFFFAOYSA-N -1 3 311.297 2.825 20 0 DFADHM Cc1csc([C@@H]([N-]C(=O)[C@@H]2CC2(F)F)C(F)(F)F)n1 ZINC000452235749 429086911 /nfs/dbraw/zinc/08/69/11/429086911.db2.gz NOKFYHPXMWHDLN-NTSWFWBYSA-N -1 3 300.252 2.826 20 0 DFADHM Cc1csc([C@H]([N-]C(=O)[C@H]2CC2(F)F)C(F)(F)F)n1 ZINC000452235751 429086936 /nfs/dbraw/zinc/08/69/36/429086936.db2.gz NOKFYHPXMWHDLN-RITPCOANSA-N -1 3 300.252 2.826 20 0 DFADHM CC[C@@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)C(F)F ZINC000452241807 429088498 /nfs/dbraw/zinc/08/84/98/429088498.db2.gz HRIOOYMEXDONJZ-LLVKDONJSA-N -1 3 312.291 2.749 20 0 DFADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1cn[nH]c1 ZINC000494690441 429143091 /nfs/dbraw/zinc/14/30/91/429143091.db2.gz NUZQPTNRLKRWON-VIFPVBQESA-N -1 3 309.329 2.656 20 0 DFADHM O=S(=O)([N-][C@@H]1COc2c1cccc2Cl)c1cccs1 ZINC000363951354 429145384 /nfs/dbraw/zinc/14/53/84/429145384.db2.gz SNIBPJHDIYGAJO-SNVBAGLBSA-N -1 3 315.803 2.814 20 0 DFADHM O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccccc1[O-] ZINC000494825524 429157825 /nfs/dbraw/zinc/15/78/25/429157825.db2.gz SHPGGXYVBIQDSE-UHFFFAOYSA-N -1 3 310.353 2.700 20 0 DFADHM CC(C)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363995756 429154372 /nfs/dbraw/zinc/15/43/72/429154372.db2.gz RMPGXKHRRJELLY-HNNXBMFYSA-N -1 3 318.417 2.549 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCOc3c(F)cccc3C2)n1 ZINC000364001757 429155619 /nfs/dbraw/zinc/15/56/19/429155619.db2.gz QUPOUYMWJKQZQL-NSHDSACASA-N -1 3 303.337 2.585 20 0 DFADHM O=C(c1ccccc1[O-])N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000376362185 429098957 /nfs/dbraw/zinc/09/89/57/429098957.db2.gz XKJVRJPJNSUICR-AWEZNQCLSA-N -1 3 301.317 2.825 20 0 DFADHM CCN(Cc1occc1C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000412804113 429105926 /nfs/dbraw/zinc/10/59/26/429105926.db2.gz ZURDMHJOGDYYAK-UHFFFAOYSA-N -1 3 317.389 2.682 20 0 DFADHM CC(C)C[C@H](C)N(C)C(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424257306 429114948 /nfs/dbraw/zinc/11/49/48/429114948.db2.gz KJGXTFXAHGRTQK-GJZGRUSLSA-N -1 3 312.454 2.599 20 0 DFADHM CC(C)N(C(=O)CN1CCCC[C@H]1CCC(=O)[O-])C1CCCC1 ZINC000424261054 429116239 /nfs/dbraw/zinc/11/62/39/429116239.db2.gz OTEQFHXPJBMPCJ-HNNXBMFYSA-N -1 3 324.465 2.885 20 0 DFADHM CC(C)CN(C(=O)CN1CCCC[C@@H]1CCC(=O)[O-])C(C)C ZINC000424263975 429116387 /nfs/dbraw/zinc/11/63/87/429116387.db2.gz SLXQSYIDNZOOFR-OAHLLOKOSA-N -1 3 312.454 2.599 20 0 DFADHM CCn1c(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])nc2cc(F)ccc21 ZINC000424273176 429118192 /nfs/dbraw/zinc/11/81/92/429118192.db2.gz SDFVCSRWHHEUQR-BDJLRTHQSA-N -1 3 319.380 2.880 20 0 DFADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SC)nc(=O)c2c1C ZINC000412986990 429118789 /nfs/dbraw/zinc/11/87/89/429118789.db2.gz AECVFZFCXWKSEU-SSDOTTSWSA-N -1 3 312.416 2.894 20 0 DFADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000452534882 429126568 /nfs/dbraw/zinc/12/65/68/429126568.db2.gz VVWIWCQKVGPQFH-VXGBXAGGSA-N -1 3 307.390 2.966 20 0 DFADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000487103084 429134704 /nfs/dbraw/zinc/13/47/04/429134704.db2.gz VGVDIAFYGOKXOF-QWHCGFSZSA-N -1 3 301.456 2.642 20 0 DFADHM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000363918475 429139378 /nfs/dbraw/zinc/13/93/78/429139378.db2.gz QMFHJDXHWIHIFI-GXTWGEPZSA-N -1 3 322.836 2.673 20 0 DFADHM Cn1cc([C@@H]([N-]C(=O)c2c(F)cccc2F)C(F)(F)F)cn1 ZINC000487731453 429166270 /nfs/dbraw/zinc/16/62/70/429166270.db2.gz NNTYLOBLQORNMV-LLVKDONJSA-N -1 3 319.233 2.732 20 0 DFADHM CCc1cc(C(=O)N2CC(N(C)Cc3ccccc3)C2)ccc1[O-] ZINC000487763350 429167589 /nfs/dbraw/zinc/16/75/89/429167589.db2.gz UUWVHGYIQCHWDZ-UHFFFAOYSA-N -1 3 324.424 2.911 20 0 DFADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3CCOC3)c2)n1 ZINC000364332059 429183998 /nfs/dbraw/zinc/18/39/98/429183998.db2.gz XEFBIEASYAIDSR-LBPRGKRZSA-N -1 3 313.357 2.523 20 0 DFADHM CCC[C@H](C)c1cc(NC(=O)c2cccc(OC)c2[O-])n[nH]1 ZINC000439918106 429223369 /nfs/dbraw/zinc/22/33/69/429223369.db2.gz ILWBQQQACOQEJT-JTQLQIEISA-N -1 3 303.362 3.280 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC(CC(F)F)C1 ZINC000425071652 429229567 /nfs/dbraw/zinc/22/95/67/429229567.db2.gz ACAREQNRRGFQND-UHFFFAOYSA-N -1 3 301.308 2.968 20 0 DFADHM COc1cccc(C(=O)Nc2cc(C)n(-c3ccccc3)n2)c1[O-] ZINC000436748465 429201611 /nfs/dbraw/zinc/20/16/11/429201611.db2.gz SRSFJLMWCMFOCR-UHFFFAOYSA-N -1 3 323.352 3.147 20 0 DFADHM Cc1c(C(=O)Nc2ccccc2[O-])cnn1CC1CCOCC1 ZINC000364435222 429201793 /nfs/dbraw/zinc/20/17/93/429201793.db2.gz QZGVISTZACUAFH-UHFFFAOYSA-N -1 3 315.373 2.576 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)c1[O-] ZINC000436842464 429202037 /nfs/dbraw/zinc/20/20/37/429202037.db2.gz XWIUONXRQKJRTA-UHFFFAOYSA-N -1 3 323.352 3.352 20 0 DFADHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000490330724 429285283 /nfs/dbraw/zinc/28/52/83/429285283.db2.gz ZSUZLGKSZWQGFL-UHFFFAOYSA-N -1 3 303.742 2.859 20 0 DFADHM CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(CC)c1 ZINC000456154843 429250639 /nfs/dbraw/zinc/25/06/39/429250639.db2.gz LMIJAAQMQCNUQK-CABCVRRESA-N -1 3 319.401 2.806 20 0 DFADHM COc1ccc2c(c1)CCN(C(=O)c1cc(C)ccc1[O-])CC2 ZINC000364749362 429262038 /nfs/dbraw/zinc/26/20/38/429262038.db2.gz LTACUUQNGLLOEI-UHFFFAOYSA-N -1 3 311.381 2.950 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456292933 429271704 /nfs/dbraw/zinc/27/17/04/429271704.db2.gz XLXHAFHKTQMAEO-KSSFIOAISA-N -1 3 308.381 2.789 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000456292270 429272233 /nfs/dbraw/zinc/27/22/33/429272233.db2.gz APTZMQALOGCVFF-UTUOFQBUSA-N -1 3 309.793 2.669 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)C(C)=C1CN(C(=O)OC(C)(C)C)C1 ZINC000495828377 429275357 /nfs/dbraw/zinc/27/53/57/429275357.db2.gz WQHLBOZEFWZRSF-NSHDSACASA-N -1 3 312.410 2.648 20 0 DFADHM CCc1cc(C(=O)N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)ccc1[O-] ZINC000456330039 429277476 /nfs/dbraw/zinc/27/74/76/429277476.db2.gz KHDOOXXXCFLGDE-BMFZPTHFSA-N -1 3 303.402 2.578 20 0 DFADHM CO[C@@H]([C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000456546620 429322986 /nfs/dbraw/zinc/32/29/86/429322986.db2.gz FXWWBJHWXUWINE-DIFFPNOSSA-N -1 3 309.381 2.784 20 0 DFADHM CCc1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1OC ZINC000456600670 429329952 /nfs/dbraw/zinc/32/99/52/429329952.db2.gz TYNZZXBFISKOMS-UHFFFAOYSA-N -1 3 315.373 2.551 20 0 DFADHM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C1CCCC1 ZINC000456684625 429337745 /nfs/dbraw/zinc/33/77/45/429337745.db2.gz HODICHLYVBXYCD-HNNXBMFYSA-N -1 3 324.446 2.757 20 0 DFADHM CC(C)(C)n1ncnc1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000282834398 275546639 /nfs/dbraw/zinc/54/66/39/275546639.db2.gz CBKYAWVQKKHUPO-UHFFFAOYSA-N -1 3 311.345 2.940 20 0 DFADHM CC[C@@H](C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])N(CC)CC ZINC000449141615 429342018 /nfs/dbraw/zinc/34/20/18/429342018.db2.gz FFOAPVMWLOXJBN-STQMWFEESA-N -1 3 300.443 2.503 20 0 DFADHM CC(C)(C)c1ccc(C(=O)C[N-]S(=O)(=O)c2ccco2)cc1 ZINC000445735385 429291709 /nfs/dbraw/zinc/29/17/09/429291709.db2.gz VXFZTTLRLJJLHY-UHFFFAOYSA-N -1 3 321.398 2.738 20 0 DFADHM Cc1ncsc1C(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000448491309 429311644 /nfs/dbraw/zinc/31/16/44/429311644.db2.gz GVMUZAUVNAJJCQ-UHFFFAOYSA-N -1 3 303.318 3.498 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cc3[nH]ccc3s2)n[n-]1 ZINC000365391993 429311641 /nfs/dbraw/zinc/31/16/41/429311641.db2.gz QZHPOVUCJKQSSD-UHFFFAOYSA-N -1 3 312.358 2.605 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cc3[nH]ccc3s2)[n-]n1 ZINC000365391993 429311642 /nfs/dbraw/zinc/31/16/42/429311642.db2.gz QZHPOVUCJKQSSD-UHFFFAOYSA-N -1 3 312.358 2.605 20 0 DFADHM CCc1nnsc1C(=O)[N-]c1cc(-c2cccc(F)c2)on1 ZINC000448539092 429313189 /nfs/dbraw/zinc/31/31/89/429313189.db2.gz RKXNSMUVDIKSIE-UHFFFAOYSA-N -1 3 318.333 3.147 20 0 DFADHM O=C([N-]c1cc(-c2cccc(F)c2)on1)c1ncncc1Cl ZINC000448538747 429313363 /nfs/dbraw/zinc/31/33/63/429313363.db2.gz QBAKSRQASYGSFH-UHFFFAOYSA-N -1 3 318.695 3.176 20 0 DFADHM Cc1nc(C)c(CC(=O)N(C(C)C)C2CC(C)(C)C2)c(=O)[n-]1 ZINC000457081723 429394382 /nfs/dbraw/zinc/39/43/82/429394382.db2.gz WZHLUNYFSULRLF-UHFFFAOYSA-N -1 3 305.422 2.767 20 0 DFADHM CCc1cc(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)ccc1[O-] ZINC000365886924 429395853 /nfs/dbraw/zinc/39/58/53/429395853.db2.gz RYOQAKWHXDMBET-PBHICJAKSA-N -1 3 321.442 2.739 20 0 DFADHM CCc1cc(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)ccc1[O-] ZINC000365886925 429396065 /nfs/dbraw/zinc/39/60/65/429396065.db2.gz RYOQAKWHXDMBET-RHSMWYFYSA-N -1 3 321.442 2.739 20 0 DFADHM Cn1c(=O)[nH]c2cc(C(=O)Nc3cc(Cl)ccc3[O-])ccc21 ZINC000517877206 429401067 /nfs/dbraw/zinc/40/10/67/429401067.db2.gz WGNHSDNFKGWZHE-UHFFFAOYSA-N -1 3 317.732 2.890 20 0 DFADHM O=C([O-])[C@@H](CNCc1cccc(F)c1)Oc1ccc(F)cc1 ZINC000426644076 429406063 /nfs/dbraw/zinc/40/60/63/429406063.db2.gz UWSLHEZWOZVUSE-OAHLLOKOSA-N -1 3 307.296 2.587 20 0 DFADHM O=C([O-])[C@H](CNCc1cccc(F)c1)Oc1ccc(F)cc1 ZINC000426644075 429406709 /nfs/dbraw/zinc/40/67/09/429406709.db2.gz UWSLHEZWOZVUSE-HNNXBMFYSA-N -1 3 307.296 2.587 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000365986013 429408510 /nfs/dbraw/zinc/40/85/10/429408510.db2.gz TWRYDTXXEUXZQM-ZDUSSCGKSA-N -1 3 310.332 2.727 20 0 DFADHM COc1ccc(/C=C\C(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000491367005 429353842 /nfs/dbraw/zinc/35/38/42/429353842.db2.gz NDFKOFIVYXPKJY-DDJMYBDESA-N -1 3 311.765 2.936 20 0 DFADHM CCOC(=O)Cc1cnc(NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000456880783 429360500 /nfs/dbraw/zinc/36/05/00/429360500.db2.gz CECDKDMSPDYXST-UHFFFAOYSA-N -1 3 320.370 2.515 20 0 DFADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1O ZINC000426702092 429410105 /nfs/dbraw/zinc/41/01/05/429410105.db2.gz DIOSMKQXZWHPMQ-MRXNPFEDSA-N -1 3 301.342 2.625 20 0 DFADHM Cc1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)o1 ZINC000365778113 429370742 /nfs/dbraw/zinc/37/07/42/429370742.db2.gz IMZBWYYQLRMGNM-UHFFFAOYSA-N -1 3 316.748 2.711 20 0 DFADHM O=C([O-])Cc1ccccc1CNCc1cc2ccccc2[nH]c1=O ZINC000426707855 429410218 /nfs/dbraw/zinc/41/02/18/429410218.db2.gz DMFHZDZUJBTIPA-UHFFFAOYSA-N -1 3 322.364 2.857 20 0 DFADHM Cc1cc(C(=O)N[C@H]2COc3ccc(F)cc3C2)ccc1[O-] 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Cc1nc2ccccc2c(N2CCc3[nH]nc(C(=O)[O-])c3C2)c1C ZINC000519606869 429469851 /nfs/dbraw/zinc/46/98/51/429469851.db2.gz MRLXWVCKHVDYDU-UHFFFAOYSA-N -1 3 322.368 2.836 20 0 DFADHM O=C([O-])[C@H](NCc1cc2ccccc2[nH]c1=O)c1ccc(O)cc1 ZINC000426776527 429414898 /nfs/dbraw/zinc/41/48/98/429414898.db2.gz YVDVJDPUXFUAEW-MRXNPFEDSA-N -1 3 324.336 2.562 20 0 DFADHM O=C([O-])[C@H](NC/C=C\c1ccc(F)cc1)c1ccc(O)cc1 ZINC000426785504 429416133 /nfs/dbraw/zinc/41/61/33/429416133.db2.gz XUFPLFSLGYVUBJ-STOZHHMFSA-N -1 3 301.317 2.960 20 0 DFADHM CCC[C@H](C)C[C@H](NCc1cc2c(cc1OC)OCO2)C(=O)[O-] ZINC000426790253 429417518 /nfs/dbraw/zinc/41/75/18/429417518.db2.gz BXTKPCDHPTWNCA-AAEUAGOBSA-N -1 3 323.389 2.793 20 0 DFADHM Cn1cnc2cc(CN[C@H](C(=O)[O-])c3cccc(F)c3)ccc21 ZINC000426821530 429419651 /nfs/dbraw/zinc/41/96/51/429419651.db2.gz UDFATMHALDOJOW-INIZCTEOSA-N -1 3 313.332 2.628 20 0 DFADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000457266007 429435647 /nfs/dbraw/zinc/43/56/47/429435647.db2.gz FSFIDLQBWGEHPG-GOEBONIOSA-N -1 3 324.446 2.613 20 0 DFADHM CCc1cccc(C(=O)N[C@@H](c2ccccc2F)[C@H](C)O)c1[O-] ZINC000518784128 429435583 /nfs/dbraw/zinc/43/55/83/429435583.db2.gz RGHLOWZZTNQNHJ-MEDUHNTESA-N -1 3 317.360 2.946 20 0 DFADHM COCc1ccc([C@H]2CCCN2C(=O)c2csc(=O)[n-]2)o1 ZINC000366226858 429435882 /nfs/dbraw/zinc/43/58/82/429435882.db2.gz YRJVVLDQJRMZCY-LLVKDONJSA-N -1 3 308.359 2.565 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc2sccc2c1 ZINC000427152827 429435986 /nfs/dbraw/zinc/43/59/86/429435986.db2.gz NEAPJPJQFLLGBH-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000492404725 429528955 /nfs/dbraw/zinc/52/89/55/429528955.db2.gz HXFDDUOHWUXGIL-BHQIHCQQSA-N -1 3 322.364 2.822 20 0 DFADHM CCN(Cc1cccc(F)c1)C(=O)/C=C\c1cncc([O-])c1 ZINC000492399991 429529747 /nfs/dbraw/zinc/52/97/47/429529747.db2.gz QATOWBCPEQCETN-SREVYHEPSA-N -1 3 300.333 2.988 20 0 DFADHM C[C@H](Oc1cnc2ccccc2c1)C(=O)[N-]c1nncn1C1CC1 ZINC000519636778 429474552 /nfs/dbraw/zinc/47/45/52/429474552.db2.gz YPZZIVVCIFOJBU-NSHDSACASA-N -1 3 323.356 2.567 20 0 DFADHM O=C(Nc1cccc(OCCF)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000519642499 429476171 /nfs/dbraw/zinc/47/61/71/429476171.db2.gz GUACRHROQVSUPR-UHFFFAOYSA-N -1 3 317.320 2.660 20 0 DFADHM CC(C)C[C@H](C(=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000519699605 429479306 /nfs/dbraw/zinc/47/93/06/429479306.db2.gz AOEYBJRAJUNYKE-CABCVRRESA-N -1 3 313.344 2.837 20 0 DFADHM O=C([O-])c1ccc(CN(C[C@H]2CCCO2)C2CCCC2)nc1 ZINC000519699738 429479457 /nfs/dbraw/zinc/47/94/57/429479457.db2.gz BHWGXGFODOFHHI-MRXNPFEDSA-N -1 3 304.390 2.703 20 0 DFADHM CO[C@H]1CCCN(Cc2oc(-c3ccccc3)nc2C(=O)[O-])C1 ZINC000519757229 429485051 /nfs/dbraw/zinc/48/50/51/429485051.db2.gz BOTYYKWLJPTZLU-ZDUSSCGKSA-N -1 3 316.357 2.651 20 0 DFADHM COc1ccc(/C=C/C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000492198313 429486061 /nfs/dbraw/zinc/48/60/61/429486061.db2.gz LOVTZKAKKOUKDM-WEVVVXLNSA-N -1 3 301.317 2.870 20 0 DFADHM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[N-]OC2CCCCC2)C1 ZINC000492229403 429492152 /nfs/dbraw/zinc/49/21/52/429492152.db2.gz JHTWBWLVEFOGQO-GFCCVEGCSA-N -1 3 312.410 2.624 20 0 DFADHM CCN(Cc1ncccc1[O-])[C@@H](COC)Cc1ccccc1 ZINC000519846448 429493737 /nfs/dbraw/zinc/49/37/37/429493737.db2.gz CGXLYNGPUKAWMY-MRXNPFEDSA-N -1 3 300.402 2.867 20 0 DFADHM O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccccc2[O-])CC1 ZINC000520102141 429501822 /nfs/dbraw/zinc/50/18/22/429501822.db2.gz BUNJMCGLNCOLOR-UHFFFAOYSA-N -1 3 314.316 2.889 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NCc1cc(-c2ccccc2)no1 ZINC000492322811 429511629 /nfs/dbraw/zinc/51/16/29/429511629.db2.gz XEUXNCPEVFETLZ-SREVYHEPSA-N -1 3 321.336 2.772 20 0 DFADHM CO[C@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)C1 ZINC000449845162 429523274 /nfs/dbraw/zinc/52/32/74/429523274.db2.gz YYUNNNOUWQNAAW-MNOVXSKESA-N -1 3 318.352 2.755 20 0 DFADHM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000520642205 429523641 /nfs/dbraw/zinc/52/36/41/429523641.db2.gz PDIPBSAHOFHDBT-RYUDHWBXSA-N -1 3 320.437 2.535 20 0 DFADHM Cc1ccccc1O[C@@H](C)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000449970183 429547821 /nfs/dbraw/zinc/54/78/21/429547821.db2.gz UOJAGOGBSPGDDO-ZDUSSCGKSA-N -1 3 317.360 2.966 20 0 DFADHM O=c1[n-]nc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000366964431 429549046 /nfs/dbraw/zinc/54/90/46/429549046.db2.gz UBDXATDRWDBSNJ-QMMMGPOBSA-N -1 3 307.341 2.798 20 0 DFADHM O=c1[nH]c(Cc2nc(-c3ccccc3)n[n-]2)nc2ccc(F)cc12 ZINC000521535671 429554213 /nfs/dbraw/zinc/55/42/13/429554213.db2.gz GAJLUFFTBKJEEX-UHFFFAOYSA-N -1 3 321.315 2.850 20 0 DFADHM O=c1[nH]c(Cc2nnc(-c3ccccc3)[n-]2)nc2ccc(F)cc12 ZINC000521535671 429554218 /nfs/dbraw/zinc/55/42/18/429554218.db2.gz GAJLUFFTBKJEEX-UHFFFAOYSA-N -1 3 321.315 2.850 20 0 DFADHM O=c1[nH]c(Cc2n[n-]c(-c3ccccc3)n2)nc2ccc(F)cc12 ZINC000521535671 429554222 /nfs/dbraw/zinc/55/42/22/429554222.db2.gz GAJLUFFTBKJEEX-UHFFFAOYSA-N -1 3 321.315 2.850 20 0 DFADHM COC(=O)c1cc(NC(=O)/C=C/c2cncc([O-])c2)ccc1C ZINC000492519540 429555960 /nfs/dbraw/zinc/55/59/60/429555960.db2.gz KGKVFZBQYLEIFU-GQCTYLIASA-N -1 3 312.325 2.534 20 0 DFADHM C[C@@H]1CN(C(=O)/C=C\c2cncc([O-])c2)[C@@H](c2ccccc2)CO1 ZINC000492522648 429557214 /nfs/dbraw/zinc/55/72/14/429557214.db2.gz UTAXRCGASHXJNW-IEHAEYMASA-N -1 3 324.380 2.789 20 0 DFADHM CCOc1ccc(/C=C\C(=O)[N-]O[C@@H]2CCCCO2)cc1C ZINC000492575135 429568350 /nfs/dbraw/zinc/56/83/50/429568350.db2.gz IGXVQIOMYVWKRH-SECOEOQKSA-N -1 3 305.374 2.981 20 0 DFADHM CCc1ccc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2)o1 ZINC000492581627 429569999 /nfs/dbraw/zinc/56/99/99/429569999.db2.gz MQBPAIZYNHTIAX-HJWRWDBZSA-N -1 3 309.329 2.674 20 0 DFADHM CCc1ccc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2)o1 ZINC000492581627 429570002 /nfs/dbraw/zinc/57/00/02/429570002.db2.gz MQBPAIZYNHTIAX-HJWRWDBZSA-N -1 3 309.329 2.674 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000450127846 429570247 /nfs/dbraw/zinc/57/02/47/429570247.db2.gz MZOKPRFFSUJCTP-HIFRSBDPSA-N -1 3 319.376 2.824 20 0 DFADHM CO[C@H]1CCC[C@@H](C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)C1 ZINC000450140377 429571297 /nfs/dbraw/zinc/57/12/97/429571297.db2.gz OULPKVSVXFGQJR-MNOVXSKESA-N -1 3 304.350 2.517 20 0 DFADHM CO[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)C1 ZINC000450140377 429571302 /nfs/dbraw/zinc/57/13/02/429571302.db2.gz OULPKVSVXFGQJR-MNOVXSKESA-N -1 3 304.350 2.517 20 0 DFADHM CO[C@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)C1 ZINC000450140377 429571304 /nfs/dbraw/zinc/57/13/04/429571304.db2.gz OULPKVSVXFGQJR-MNOVXSKESA-N -1 3 304.350 2.517 20 0 DFADHM COC1CCC(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)CC1 ZINC000458069128 429574312 /nfs/dbraw/zinc/57/43/12/429574312.db2.gz QWGNSJCAGQIOBQ-UHFFFAOYSA-N -1 3 314.385 2.524 20 0 DFADHM CC[C@H](CCO)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450180732 429575627 /nfs/dbraw/zinc/57/56/27/429575627.db2.gz LLYQIEUGOXQJPK-OAHLLOKOSA-N -1 3 301.386 2.755 20 0 DFADHM Cc1cc(/C=C/C(=O)[N-]O[C@@H]2CCOC2)ccc1OC(C)C ZINC000492646389 429587355 /nfs/dbraw/zinc/58/73/55/429587355.db2.gz NGWRCWNMPHLOOU-KEDPEKRHSA-N -1 3 305.374 2.632 20 0 DFADHM CC[C@H](C)Oc1ccccc1/C=C/C(=O)[N-]O[C@@H]1CCOC1 ZINC000492430162 429536503 /nfs/dbraw/zinc/53/65/03/429536503.db2.gz XMYMAKSKWJYBNX-QJXJPNQISA-N -1 3 305.374 2.714 20 0 DFADHM Cn1ccnc1-c1csc([N-]C(=O)c2cc(C3CC3)no2)n1 ZINC000366920145 429540480 /nfs/dbraw/zinc/54/04/80/429540480.db2.gz FXWCTFJMWBXFOV-UHFFFAOYSA-N -1 3 315.358 2.661 20 0 DFADHM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000521183482 429541531 /nfs/dbraw/zinc/54/15/31/429541531.db2.gz CVQUSIDSTNTQNM-CYBMUJFWSA-N -1 3 308.385 2.970 20 0 DFADHM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000521183482 429541534 /nfs/dbraw/zinc/54/15/34/429541534.db2.gz CVQUSIDSTNTQNM-CYBMUJFWSA-N -1 3 308.385 2.970 20 0 DFADHM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000521183482 429541537 /nfs/dbraw/zinc/54/15/37/429541537.db2.gz CVQUSIDSTNTQNM-CYBMUJFWSA-N -1 3 308.385 2.970 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C12CCC2 ZINC000449938057 429542154 /nfs/dbraw/zinc/54/21/54/429542154.db2.gz DUWCZFUQZYKGFH-GJZGRUSLSA-N -1 3 307.365 2.538 20 0 DFADHM C[C@@](O)(CNC(=O)CCc1ccc2ccccc2c1[O-])C1CC1 ZINC000449962559 429546154 /nfs/dbraw/zinc/54/61/54/429546154.db2.gz ZGSYKOKEEPIVCE-LJQANCHMSA-N -1 3 313.397 2.755 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@H]3CCC[C@H]3OC)ccc2[n-]1 ZINC000450404335 429619034 /nfs/dbraw/zinc/61/90/34/429619034.db2.gz DYQBBIZCTSVKON-IUODEOHRSA-N -1 3 317.389 2.507 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@H]3CCC[C@H]3OC)cc2[n-]1 ZINC000450404335 429619039 /nfs/dbraw/zinc/61/90/39/429619039.db2.gz DYQBBIZCTSVKON-IUODEOHRSA-N -1 3 317.389 2.507 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H](c1ccccc1)C(F)F ZINC000492805938 429619615 /nfs/dbraw/zinc/61/96/15/429619615.db2.gz JYSUWQOAYPSXEA-LFAOLKIESA-N -1 3 304.296 2.923 20 0 DFADHM O=C(/C=C\c1c(Cl)nc2ccccn21)[N-]OCCC1CC1 ZINC000492811462 429621386 /nfs/dbraw/zinc/62/13/86/429621386.db2.gz ULHBWEJYTCLKMA-SREVYHEPSA-N -1 3 305.765 2.849 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](CC)CSC)ccc2[n-]1 ZINC000450414260 429622804 /nfs/dbraw/zinc/62/28/04/429622804.db2.gz XKBKYYPYXXJUPD-NSHDSACASA-N -1 3 307.419 2.833 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](CC)CSC)cc2[n-]1 ZINC000450414260 429622808 /nfs/dbraw/zinc/62/28/08/429622808.db2.gz XKBKYYPYXXJUPD-NSHDSACASA-N -1 3 307.419 2.833 20 0 DFADHM Cc1ccc2c(CN3CCC[C@@H]3c3nncn3C)ccc([O-])c2n1 ZINC000429682814 429624667 /nfs/dbraw/zinc/62/46/67/429624667.db2.gz JKVCFXWRJKBXSE-OAHLLOKOSA-N -1 3 323.400 2.714 20 0 DFADHM CCC[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)C1CCCC1 ZINC000458351841 429625792 /nfs/dbraw/zinc/62/57/92/429625792.db2.gz YSTXOOMJXKMRCH-INIZCTEOSA-N -1 3 318.417 2.597 20 0 DFADHM CC(C)C[C@@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)CCO1 ZINC000450447192 429629161 /nfs/dbraw/zinc/62/91/61/429629161.db2.gz UFZUBSUMNVEXNO-UONOGXRCSA-N -1 3 309.381 2.784 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCC=C(c2ccncc2)C1 ZINC000492845902 429629311 /nfs/dbraw/zinc/62/93/11/429629311.db2.gz ZPTVIMXEZUXBCM-ARJAWSKDSA-N -1 3 307.353 2.511 20 0 DFADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000450285233 429592332 /nfs/dbraw/zinc/59/23/32/429592332.db2.gz LNEXHMGEYBBRKR-AWEZNQCLSA-N -1 3 317.364 2.777 20 0 DFADHM CC[C@@H](C)CS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000522753884 429595166 /nfs/dbraw/zinc/59/51/66/429595166.db2.gz CQRYCAOCGHCKIS-GFCCVEGCSA-N -1 3 319.467 2.606 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCc2ccc(OC)c(OC)c2)c1 ZINC000522778016 429595362 /nfs/dbraw/zinc/59/53/62/429595362.db2.gz QTIPTGWECZUGCM-UHFFFAOYSA-N -1 3 315.369 2.902 20 0 DFADHM C[C@H]1[C@@H](C(=O)[N-]OC2CCCC2)CCN1C(=O)OC(C)(C)C ZINC000492697043 429596136 /nfs/dbraw/zinc/59/61/36/429596136.db2.gz RQEVMFMJEHMHMB-AAEUAGOBSA-N -1 3 312.410 2.622 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)n1 ZINC000429310838 429597156 /nfs/dbraw/zinc/59/71/56/429597156.db2.gz XRAZJSKNCYNMJT-HFBAOOFYSA-N -1 3 307.438 2.674 20 0 DFADHM C[C@H](CC(=O)c1cccs1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450316302 429597357 /nfs/dbraw/zinc/59/73/57/429597357.db2.gz YUCZUCNJCFCLGJ-SNVBAGLBSA-N -1 3 321.373 2.913 20 0 DFADHM O=C([N-][C@H]1c2ccccc2C[C@H]1O)C(F)(F)c1ccccc1F ZINC000367239836 429602533 /nfs/dbraw/zinc/60/25/33/429602533.db2.gz HJQUHVASSQKWSL-CABCVRRESA-N -1 3 321.298 2.692 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC1CC1 ZINC000367290621 429612957 /nfs/dbraw/zinc/61/29/57/429612957.db2.gz KTYPXBKRUJYCOZ-UHFFFAOYSA-N -1 3 321.340 2.660 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC1CC1 ZINC000367290621 429612960 /nfs/dbraw/zinc/61/29/60/429612960.db2.gz KTYPXBKRUJYCOZ-UHFFFAOYSA-N -1 3 321.340 2.660 20 0 DFADHM O=c1[n-]nc(CN2CC=C(c3ccc(Cl)nc3)CC2)s1 ZINC000367462479 429655584 /nfs/dbraw/zinc/65/55/84/429655584.db2.gz FYSBPIIASFMGOM-UHFFFAOYSA-N -1 3 308.794 2.581 20 0 DFADHM CC(C)[C@H](CO)O[N-]C(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000492984604 429660580 /nfs/dbraw/zinc/66/05/80/429660580.db2.gz KUDOPQWQRBULRA-LJLILKBBSA-N -1 3 317.307 2.783 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000492994660 429663216 /nfs/dbraw/zinc/66/32/16/429663216.db2.gz KERRCQFMEIDARB-ALLUHVBJSA-N -1 3 310.353 2.943 20 0 DFADHM O=C(c1ccccc1[O-])N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000367535041 429667979 /nfs/dbraw/zinc/66/79/79/429667979.db2.gz CIYIZYJGRJFROJ-NHYWBVRUSA-N -1 3 319.307 2.619 20 0 DFADHM Cc1cccnc1C(C)(C)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000492959211 429654525 /nfs/dbraw/zinc/65/45/25/429654525.db2.gz UIOHVJGXEKGYIV-VOTSOKGWSA-N -1 3 311.385 2.598 20 0 DFADHM CC[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc2c(c1)OCCO2 ZINC000525918486 429686428 /nfs/dbraw/zinc/68/64/28/429686428.db2.gz DRCRCGTYUVEHEE-JTQLQIEISA-N -1 3 320.370 2.501 20 0 DFADHM O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1csc(=O)[n-]1 ZINC000525928924 429688233 /nfs/dbraw/zinc/68/82/33/429688233.db2.gz JHCMTQGVOBDCBO-PWSUYJOCSA-N -1 3 324.789 2.762 20 0 DFADHM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450773776 429696292 /nfs/dbraw/zinc/69/62/92/429696292.db2.gz NAFNNBCCNVRVHJ-ZBFHGGJFSA-N -1 3 309.381 2.784 20 0 DFADHM CCc1ccc(C(=O)NCCOc2ccccc2OC)c([O-])c1 ZINC000526045038 429697198 /nfs/dbraw/zinc/69/71/98/429697198.db2.gz NXGDWJSSJIAVPZ-UHFFFAOYSA-N -1 3 315.369 2.772 20 0 DFADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC000526072005 429700204 /nfs/dbraw/zinc/70/02/04/429700204.db2.gz YMLINUWPERYRMZ-ZDUSSCGKSA-N -1 3 321.808 2.705 20 0 DFADHM O=C(Nc1nnc(-c2ccccc2)s1)c1cccc2nn[n-]c21 ZINC000526116473 429703375 /nfs/dbraw/zinc/70/33/75/429703375.db2.gz FPNLFTWCNGGMET-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1nnc(-c2ccccc2)s1)c1cccc2[n-]nnc21 ZINC000526116473 429703380 /nfs/dbraw/zinc/70/33/80/429703380.db2.gz FPNLFTWCNGGMET-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1nnc(-c2ccccc2)s1)c1cccc2n[n-]nc21 ZINC000526116473 429703385 /nfs/dbraw/zinc/70/33/85/429703385.db2.gz FPNLFTWCNGGMET-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1csc(=O)[n-]1 ZINC000526930000 429709396 /nfs/dbraw/zinc/70/93/96/429709396.db2.gz CFPYMRGCVKSRFN-QWHCGFSZSA-N -1 3 302.399 2.990 20 0 DFADHM CSc1ccc(NC(=O)[C@@H](C)N(C)CCCC(=O)[O-])cc1 ZINC000430671713 429709553 /nfs/dbraw/zinc/70/95/53/429709553.db2.gz RBJQABOPASFZGN-LLVKDONJSA-N -1 3 310.419 2.532 20 0 DFADHM Cc1c[nH]c(-c2ccccc2NC(=O)c2cccc3nn[n-]c32)n1 ZINC000527116416 429724811 /nfs/dbraw/zinc/72/48/11/429724811.db2.gz AWLVHDCEIYIUTO-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM Cc1c[nH]c(-c2ccccc2NC(=O)c2cccc3[n-]nnc32)n1 ZINC000527116416 429724816 /nfs/dbraw/zinc/72/48/16/429724816.db2.gz AWLVHDCEIYIUTO-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM Cc1c[nH]c(-c2ccccc2NC(=O)c2cccc3n[n-]nc32)n1 ZINC000527116416 429724820 /nfs/dbraw/zinc/72/48/20/429724820.db2.gz AWLVHDCEIYIUTO-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM Cc1nc(C(C)C)oc1CN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000450900062 429725579 /nfs/dbraw/zinc/72/55/79/429725579.db2.gz FRYLDUJMCMYULA-LLVKDONJSA-N -1 3 306.366 2.575 20 0 DFADHM C[C@H]1C[C@H](C)N1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000527158994 429727620 /nfs/dbraw/zinc/72/76/20/429727620.db2.gz KKSIKXOLONPHRG-IUCAKERBSA-N -1 3 313.195 2.847 20 0 DFADHM C[C@@H]1C[C@@H](C)N1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000527158995 429727635 /nfs/dbraw/zinc/72/76/35/429727635.db2.gz KKSIKXOLONPHRG-RKDXNWHRSA-N -1 3 313.195 2.847 20 0 DFADHM COCCO[N-]C(=O)/C=C\c1ccc(C(F)(F)F)cc1C ZINC000493288073 429728120 /nfs/dbraw/zinc/72/81/20/429728120.db2.gz IVAOHXAIDCNWIV-XQRVVYSFSA-N -1 3 303.280 2.721 20 0 DFADHM O=c1[n-]nc(C2CCN(CCc3ccc(Cl)cc3)CC2)o1 ZINC000450930719 429733323 /nfs/dbraw/zinc/73/33/23/429733323.db2.gz XOODOCGYTVWMJU-UHFFFAOYSA-N -1 3 307.781 2.851 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)s1 ZINC000431066481 429740404 /nfs/dbraw/zinc/74/04/04/429740404.db2.gz NOZISAAVMFZDEY-UHFFFAOYSA-N -1 3 316.835 2.626 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)c1 ZINC000450986361 429743707 /nfs/dbraw/zinc/74/37/07/429743707.db2.gz OTENDNJGOHHTDY-CQSZACIVSA-N -1 3 307.440 2.892 20 0 DFADHM Cc1ccnc(C(=O)Nc2ccc(Br)cc2[O-])n1 ZINC000527447545 429750004 /nfs/dbraw/zinc/75/00/04/429750004.db2.gz DPLJHTUMIQUISZ-UHFFFAOYSA-N -1 3 308.135 2.505 20 0 DFADHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(C)C ZINC000431267881 429750217 /nfs/dbraw/zinc/75/02/17/429750217.db2.gz AHWVACQRKQCQCK-CYBMUJFWSA-N -1 3 323.817 2.570 20 0 DFADHM CCc1cc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)OC)ccc1[O-] ZINC000486935131 429754671 /nfs/dbraw/zinc/75/46/71/429754671.db2.gz CUDQLOMGUDRZOT-KDOFPFPSSA-N -1 3 319.401 2.806 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[O-] ZINC000486969074 429756892 /nfs/dbraw/zinc/75/68/92/429756892.db2.gz PFKFGQHCKKOXCP-JKSUJKDBSA-N -1 3 303.402 2.843 20 0 DFADHM CCc1cc(C(=O)N[C@@H](CO)c2cccc(F)c2)ccc1[O-] ZINC000486958041 429757094 /nfs/dbraw/zinc/75/70/94/429757094.db2.gz ROPOYPSQJLKDLY-HNNXBMFYSA-N -1 3 303.333 2.557 20 0 DFADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)cc1 ZINC000451096645 429767497 /nfs/dbraw/zinc/76/74/97/429767497.db2.gz XQTKMBVTSORVQU-ZDUSSCGKSA-N -1 3 320.414 2.828 20 0 DFADHM CCSCc1ccc([N-]S(=O)(=O)C[C@@H](C)OC)cc1 ZINC000451103276 429767922 /nfs/dbraw/zinc/76/79/22/429767922.db2.gz AWASPSAHXJUHDV-LLVKDONJSA-N -1 3 303.449 2.716 20 0 DFADHM O=C(/C=C\c1cnn(-c2ccccc2)c1)[N-]OC/C=C\Cl ZINC000493476758 429770270 /nfs/dbraw/zinc/77/02/70/429770270.db2.gz DQXXXLGCTJPYLW-PNVIUGFYSA-N -1 3 303.749 2.686 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H](OCC3CC3)C2)ccc1[O-] ZINC000368041954 429773168 /nfs/dbraw/zinc/77/31/68/429773168.db2.gz LACJOTNIOKEIME-INIZCTEOSA-N -1 3 303.402 2.986 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@@H](OCC3CC3)C2)ccc1[O-] ZINC000368041955 429773176 /nfs/dbraw/zinc/77/31/76/429773176.db2.gz LACJOTNIOKEIME-MRXNPFEDSA-N -1 3 303.402 2.986 20 0 DFADHM O=C(Nc1ccc2ncccc2c1)c1cc(F)cc2[n-]nnc21 ZINC000431731453 429778585 /nfs/dbraw/zinc/77/85/85/429778585.db2.gz BCKHLUVCNFTPQL-UHFFFAOYSA-N -1 3 307.288 2.898 20 0 DFADHM O=C(Nc1ccc2ncccc2c1)c1cc(F)cc2nn[n-]c21 ZINC000431731453 429778590 /nfs/dbraw/zinc/77/85/90/429778590.db2.gz BCKHLUVCNFTPQL-UHFFFAOYSA-N -1 3 307.288 2.898 20 0 DFADHM O=C(Nc1ccc2ncccc2c1)c1cc(F)cc2n[n-]nc21 ZINC000431731453 429778591 /nfs/dbraw/zinc/77/85/91/429778591.db2.gz BCKHLUVCNFTPQL-UHFFFAOYSA-N -1 3 307.288 2.898 20 0 DFADHM O=C(/C=C/c1sc2ccccc2c1Cl)[N-]OCCCO ZINC000493544912 429782712 /nfs/dbraw/zinc/78/27/12/429782712.db2.gz CCEAGHAAASVNLK-VOTSOKGWSA-N -1 3 311.790 2.998 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2cc(F)c(F)c(F)c2)[n-]1 ZINC000493543811 429782946 /nfs/dbraw/zinc/78/29/46/429782946.db2.gz BJTMZZLWSYPBSZ-IHWYPQMZSA-N -1 3 314.292 2.596 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2cc(F)c(F)c(F)c2)n1 ZINC000493543811 429782949 /nfs/dbraw/zinc/78/29/49/429782949.db2.gz BJTMZZLWSYPBSZ-IHWYPQMZSA-N -1 3 314.292 2.596 20 0 DFADHM CSc1nc(NC(=O)C=Cc2cc(F)c(F)c(F)c2)n[n-]1 ZINC000493543811 429782952 /nfs/dbraw/zinc/78/29/52/429782952.db2.gz BJTMZZLWSYPBSZ-IHWYPQMZSA-N -1 3 314.292 2.596 20 0 DFADHM CC(=O)c1ccc(CNC(=O)c2cc([O-])ccc2Cl)nc1C ZINC000431816955 429784974 /nfs/dbraw/zinc/78/49/74/429784974.db2.gz AUMQTJYSDVHWCK-UHFFFAOYSA-N -1 3 318.760 2.882 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)[n-]1 ZINC000431821322 429785170 /nfs/dbraw/zinc/78/51/70/429785170.db2.gz GFCMPPXJXJLFGY-UHFFFAOYSA-N -1 3 321.764 2.773 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C)c1 ZINC000451239603 429793692 /nfs/dbraw/zinc/79/36/92/429793692.db2.gz WTNPIBFAQKQWIY-CYBMUJFWSA-N -1 3 305.465 2.522 20 0 DFADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cnccc2C)on1 ZINC000451251381 429794890 /nfs/dbraw/zinc/79/48/90/429794890.db2.gz VGTDCPIAKYATTA-UHFFFAOYSA-N -1 3 323.418 2.760 20 0 DFADHM [O-]c1cccc(CN[C@]2(CO)COc3ccccc3C2)c1Cl ZINC000527769129 429795339 /nfs/dbraw/zinc/79/53/39/429795339.db2.gz JNLPZRXOXMLFBN-QGZVFWFLSA-N -1 3 319.788 2.501 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCSCC(F)(F)F)c1 ZINC000451357978 429816968 /nfs/dbraw/zinc/81/69/68/429816968.db2.gz FDGAMYIKGGREJQ-UHFFFAOYSA-N -1 3 319.395 2.630 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000451373871 429820670 /nfs/dbraw/zinc/82/06/70/429820670.db2.gz JDVLQUKJIKMKSE-QWHCGFSZSA-N -1 3 317.476 2.929 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2cncc(F)c2)c1 ZINC000451387147 429821183 /nfs/dbraw/zinc/82/11/83/429821183.db2.gz YOPPIIMGCBJKLW-SECBINFHSA-N -1 3 300.380 2.630 20 0 DFADHM CN(Cc1ccc(F)c(F)c1)C(=O)/C=C\c1cncc([O-])c1 ZINC000493752988 429822216 /nfs/dbraw/zinc/82/22/16/429822216.db2.gz LJDMZVBFDAFJFP-HYXAFXHYSA-N -1 3 304.296 2.737 20 0 DFADHM CCOc1cc(/C=C/C(=O)[N-]OC/C=C/Cl)ccc1OC ZINC000493755586 429823992 /nfs/dbraw/zinc/82/39/92/429823992.db2.gz OBLGRFDDRYSRKZ-KRDKKKDJSA-N -1 3 311.765 2.907 20 0 DFADHM CCOc1cc(/C=C\C(=O)[N-]OC/C=C/Cl)ccc1OC ZINC000493755587 429824000 /nfs/dbraw/zinc/82/40/00/429824000.db2.gz OBLGRFDDRYSRKZ-UNTFCYRVSA-N -1 3 311.765 2.907 20 0 DFADHM CCc1cc(C(=O)N(C)Cc2cn3c(n2)CCCC3)ccc1[O-] ZINC000368300089 429826737 /nfs/dbraw/zinc/82/67/37/429826737.db2.gz UPZOWZUJBZIDNY-UHFFFAOYSA-N -1 3 313.401 2.760 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCO[C@H](C3CCCCC3)C2)c1 ZINC000368324622 429829856 /nfs/dbraw/zinc/82/98/56/429829856.db2.gz SEYUUUKTBRBLBS-KRWDZBQOSA-N -1 3 319.401 2.822 20 0 DFADHM CC(C)C[C@H](CN(C)C)[N-]S(=O)(=O)c1sccc1Cl ZINC000451431920 429830024 /nfs/dbraw/zinc/83/00/24/429830024.db2.gz PJIOXHSQCWQIPR-SNVBAGLBSA-N -1 3 324.899 2.656 20 0 DFADHM CCOc1nc2cc(C(=O)N(C)CCCSC)ccc2[n-]1 ZINC000451432193 429830189 /nfs/dbraw/zinc/83/01/89/429830189.db2.gz LEFRQQRHSFNJDO-UHFFFAOYSA-N -1 3 307.419 2.787 20 0 DFADHM CCOc1nc2ccc(C(=O)N(C)CCCSC)cc2[n-]1 ZINC000451432193 429830192 /nfs/dbraw/zinc/83/01/92/429830192.db2.gz LEFRQQRHSFNJDO-UHFFFAOYSA-N -1 3 307.419 2.787 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000451478511 429832924 /nfs/dbraw/zinc/83/29/24/429832924.db2.gz KCNWJIBXADWDKY-DGCLKSJQSA-N -1 3 317.307 2.740 20 0 DFADHM C[C@@H]1C[C@@H](CCNC(=O)Cc2ccc([O-])c(F)c2)C[C@H](C)O1 ZINC000451528807 429844082 /nfs/dbraw/zinc/84/40/82/429844082.db2.gz QPXJYBQSPLOMSN-DABQJJPHSA-N -1 3 309.381 2.784 20 0 DFADHM Oc1[n-]c(N2CCC(F)(c3ccccc3)CC2)nc2nncc1-2 ZINC000432832682 429844905 /nfs/dbraw/zinc/84/49/05/429844905.db2.gz QDYXYHRYDPWTSI-UHFFFAOYSA-N -1 3 313.336 2.524 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)n[n-]1 ZINC000528136944 429853184 /nfs/dbraw/zinc/85/31/84/429853184.db2.gz DLYGMMZEMBNXMG-CUOATXAZSA-N -1 3 312.373 2.711 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CCCC23CC3)n[n-]1 ZINC000528140254 429853376 /nfs/dbraw/zinc/85/33/76/429853376.db2.gz OMKAMFVERADUNV-LBPRGKRZSA-N -1 3 312.373 2.999 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000368480128 429855734 /nfs/dbraw/zinc/85/57/34/429855734.db2.gz ZLOWULHPLOVIJU-IPLHWJFFSA-N -1 3 312.344 2.898 20 0 DFADHM C[C@]1(CNC(=O)Cc2ccc([O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000368493896 429857586 /nfs/dbraw/zinc/85/75/86/429857586.db2.gz WKQBSUJPWYEJBV-DLBZAZTESA-N -1 3 323.820 2.910 20 0 DFADHM O=c1[n-]nc(Nc2cccc(C3CCOCC3)c2)cc1Cl ZINC000528196190 429859174 /nfs/dbraw/zinc/85/91/74/429859174.db2.gz GVFZJCXHICMBMC-UHFFFAOYSA-N -1 3 305.765 3.473 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)s1 ZINC000494342465 429867130 /nfs/dbraw/zinc/86/71/30/429867130.db2.gz XVGHJOFNMFNHED-ZETCQYMHSA-N -1 3 316.370 2.851 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000451330559 429811815 /nfs/dbraw/zinc/81/18/15/429811815.db2.gz MLVVNRKGXQQGHJ-LZWOXQAQSA-N -1 3 319.451 2.921 20 0 DFADHM CCCOc1ccc(C(=O)NCc2ncccc2[O-])c(OC)c1 ZINC000451342304 429813270 /nfs/dbraw/zinc/81/32/70/429813270.db2.gz NNBIJMWWIVOFFR-UHFFFAOYSA-N -1 3 316.357 2.515 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCC2CC(OC(C)(C)C)C2)o1 ZINC000432300011 429813489 /nfs/dbraw/zinc/81/34/89/429813489.db2.gz DGTLYDAEWMFELH-UHFFFAOYSA-N -1 3 315.435 2.850 20 0 DFADHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccco2)C1 ZINC000432316101 429813679 /nfs/dbraw/zinc/81/36/79/429813679.db2.gz USKDFHXIFCQJDC-UHFFFAOYSA-N -1 3 301.408 2.542 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 ZINC000368231918 429813645 /nfs/dbraw/zinc/81/36/45/429813645.db2.gz OOPMHVBLWGRBCU-ARFHVFGLSA-N -1 3 319.449 2.650 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 ZINC000368231920 429813806 /nfs/dbraw/zinc/81/38/06/429813806.db2.gz OOPMHVBLWGRBCU-OAGGEKHMSA-N -1 3 319.449 2.650 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CCCCO)c(Cl)cc1F ZINC000451716799 429878111 /nfs/dbraw/zinc/87/81/11/429878111.db2.gz ANXCYGDSQCSNBF-JTQLQIEISA-N -1 3 323.817 2.617 20 0 DFADHM CC[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1sccc1OC ZINC000451742601 429882059 /nfs/dbraw/zinc/88/20/59/429882059.db2.gz BMHAADDLQKIFFC-GHMZBOCLSA-N -1 3 303.449 2.861 20 0 DFADHM CC(C)[C@H](CO)CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000451749383 429882304 /nfs/dbraw/zinc/88/23/04/429882304.db2.gz MHGMWLHIMCMQRF-INIZCTEOSA-N -1 3 315.413 2.859 20 0 DFADHM O=S(=O)([N-]CC[C@@H]1CCCOC1)c1cc(F)cc(Cl)c1 ZINC000528448272 429890115 /nfs/dbraw/zinc/89/01/15/429890115.db2.gz JXTZSXGZEHKGDQ-JTQLQIEISA-N -1 3 321.801 2.574 20 0 DFADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000528547301 429898445 /nfs/dbraw/zinc/89/84/45/429898445.db2.gz IYXAFELCVFIDLG-LOKDSWTASA-N -1 3 321.801 2.569 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCO[C@@H](C2CC2)C1 ZINC000368887418 429900112 /nfs/dbraw/zinc/90/01/12/429900112.db2.gz HZGVUXXZSWBMQM-MRXNPFEDSA-N -1 3 301.386 2.522 20 0 DFADHM CO[C@H](CNC(=O)c1cc([O-])cc(Br)c1)C(C)C ZINC000528714131 429908936 /nfs/dbraw/zinc/90/89/36/429908936.db2.gz DLLGTCONDKMRFT-GFCCVEGCSA-N -1 3 316.195 2.556 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1Cc2ccc(F)cc2C(=O)O1 ZINC000369098579 429912949 /nfs/dbraw/zinc/91/29/49/429912949.db2.gz DUEAEGISMNKRJO-AWEZNQCLSA-N -1 3 315.300 2.560 20 0 DFADHM Cc1noc([C@@H](NC(=O)c2ccc(C)cc2[O-])c2ccccc2)n1 ZINC000369116442 429913419 /nfs/dbraw/zinc/91/34/19/429913419.db2.gz KXBJDMOILJZMCR-INIZCTEOSA-N -1 3 323.352 2.911 20 0 DFADHM Cc1noc([C@@H](NC(=O)c2ccccc2[O-])c2ccccc2)n1 ZINC000369114987 429913551 /nfs/dbraw/zinc/91/35/51/429913551.db2.gz CUPMKDHEVFJETL-HNNXBMFYSA-N -1 3 309.325 2.603 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CC(Cc2ccccc2Cl)C1 ZINC000369312450 429923384 /nfs/dbraw/zinc/92/33/84/429923384.db2.gz PCAQFWGCQPODEC-UHFFFAOYSA-N -1 3 308.790 2.817 20 0 DFADHM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@H](N2CCCCC2)C1 ZINC000368591724 429872712 /nfs/dbraw/zinc/87/27/12/429872712.db2.gz IRGAHVSVCYWNAC-LBPRGKRZSA-N -1 3 324.371 2.761 20 0 DFADHM Cc1cccc(CS(=O)(=O)[N-]c2cnc(CC3CC3)nc2)c1 ZINC000573822481 429986712 /nfs/dbraw/zinc/98/67/12/429986712.db2.gz NRKDGHUQUDFTNK-UHFFFAOYSA-N -1 3 317.414 2.679 20 0 DFADHM CC(C)COCCN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000573500947 429958762 /nfs/dbraw/zinc/95/87/62/429958762.db2.gz WDHZXLTXIVHCDT-UHFFFAOYSA-N -1 3 301.333 2.524 20 0 DFADHM O=S(=O)([N-]Cc1ccccc1OC1CCC1)c1cscn1 ZINC000573559580 429960567 /nfs/dbraw/zinc/96/05/67/429960567.db2.gz MYSZOFVBKWWWTD-UHFFFAOYSA-N -1 3 324.427 2.553 20 0 DFADHM O=C([O-])c1cnc(NCCN2CCC3(CCCCC3)CC2)s1 ZINC000630458812 429965702 /nfs/dbraw/zinc/96/57/02/429965702.db2.gz GDTOOZRSCXOCHQ-UHFFFAOYSA-N -1 3 323.462 3.300 20 0 DFADHM O=S(=O)([N-][C@@H]1[C@@H]2CCC[C@@H]21)c1csc(-c2ccccc2)n1 ZINC000573658174 429970586 /nfs/dbraw/zinc/97/05/86/429970586.db2.gz WWKOYPKAYSSHNS-DABQJJPHSA-N -1 3 320.439 2.887 20 0 DFADHM Cn1ccnc1[C@H](NCc1cc([O-])ccc1Cl)C(C)(C)CO ZINC000639774399 429975397 /nfs/dbraw/zinc/97/53/97/429975397.db2.gz XITLDTSKOMMQLU-AWEZNQCLSA-N -1 3 323.824 2.629 20 0 DFADHM O=c1cc(CN2CCC[C@H]2c2cn[nH]c2)nc(-c2ccccc2)[n-]1 ZINC000639777107 429977216 /nfs/dbraw/zinc/97/72/16/429977216.db2.gz SEFFCKIEFRQUKE-INIZCTEOSA-N -1 3 321.384 2.909 20 0 DFADHM CCc1cnccc1[C@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000558632790 429981846 /nfs/dbraw/zinc/98/18/46/429981846.db2.gz JEGRRSZAYVNOFF-VIFPVBQESA-N -1 3 313.336 2.545 20 0 DFADHM CCc1cnccc1[C@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000558632790 429981848 /nfs/dbraw/zinc/98/18/48/429981848.db2.gz JEGRRSZAYVNOFF-VIFPVBQESA-N -1 3 313.336 2.545 20 0 DFADHM CCc1cnccc1[C@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000558632790 429981850 /nfs/dbraw/zinc/98/18/50/429981850.db2.gz JEGRRSZAYVNOFF-VIFPVBQESA-N -1 3 313.336 2.545 20 0 DFADHM CC(=O)N[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])C(C)C ZINC000558645534 429982170 /nfs/dbraw/zinc/98/21/70/429982170.db2.gz GZNKBSROHKGWSQ-OAHLLOKOSA-N -1 3 306.406 2.789 20 0 DFADHM Cn1ncc(C2CC2)c1C[N-]c1nc(-c2ccc(F)cc2)no1 ZINC000624398367 429933879 /nfs/dbraw/zinc/93/38/79/429933879.db2.gz DXGCNAVGGNPIKY-UHFFFAOYSA-N -1 3 313.336 3.099 20 0 DFADHM CCn1ncc(C(=O)NCc2ccc([O-])c(F)c2)c1C1CC1 ZINC000639796621 429985952 /nfs/dbraw/zinc/98/59/52/429985952.db2.gz BLKGGKOJXYDPSS-UHFFFAOYSA-N -1 3 303.337 2.555 20 0 DFADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@H](C)C1(F)F ZINC000636823382 429936647 /nfs/dbraw/zinc/93/66/47/429936647.db2.gz BOSGATSMJZGAFX-UWVGGRQHSA-N -1 3 316.323 2.964 20 0 DFADHM C[C@@]1(Br)C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000528939463 429937926 /nfs/dbraw/zinc/93/79/26/429937926.db2.gz UFOZSWNPXPHUGE-IINYFYTJSA-N -1 3 310.191 2.845 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc3c2CCOC3)n1 ZINC000639664964 429940234 /nfs/dbraw/zinc/94/02/34/429940234.db2.gz DYOROLYUYIABDN-UHFFFAOYSA-N -1 3 313.401 2.588 20 0 DFADHM [O-]c1cccnc1CN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000573297759 429941452 /nfs/dbraw/zinc/94/14/52/429941452.db2.gz DBNYTAYQQCROCJ-LJQANCHMSA-N -1 3 312.413 2.604 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N(C)Cc3cccc(O)c3)c(=O)c2c1 ZINC000557577859 429944849 /nfs/dbraw/zinc/94/48/49/429944849.db2.gz ZMUXSXXYGJXMMH-UHFFFAOYSA-N -1 3 322.364 2.814 20 0 DFADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1cncc([O-])c1 ZINC000557636171 429949189 /nfs/dbraw/zinc/94/91/89/429949189.db2.gz WPCVZLLQQFWYIX-KRWDZBQOSA-N -1 3 316.376 2.852 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(F)cc1OCCC(F)(F)F ZINC000574390987 430037642 /nfs/dbraw/zinc/03/76/42/430037642.db2.gz AUQJITJFWNFWMR-UHFFFAOYSA-N -1 3 301.261 2.528 20 0 DFADHM O=C(Cc1cncc([O-])c1)NCC1CCc2ccccc2CC1 ZINC000529609727 430039425 /nfs/dbraw/zinc/03/94/25/430039425.db2.gz LYNBKKBBORCABH-UHFFFAOYSA-N -1 3 310.397 2.641 20 0 DFADHM CCc1nc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC000574416657 430041334 /nfs/dbraw/zinc/04/13/34/430041334.db2.gz USFJJLNDAKUWRQ-UHFFFAOYSA-N -1 3 304.419 2.711 20 0 DFADHM O=S(=O)(CCOCC1CC1)[N-]c1cccc2ccc(O)cc21 ZINC000574441840 430041877 /nfs/dbraw/zinc/04/18/77/430041877.db2.gz FGADQJDTNNGXFN-UHFFFAOYSA-N -1 3 321.398 2.714 20 0 DFADHM CCn1c(CN[C@H](C)[C@@H](C(=O)[O-])C(C)C)nc2ccccc21 ZINC000574445307 430042089 /nfs/dbraw/zinc/04/20/89/430042089.db2.gz YOFMDWYDWRLHBV-WBMJQRKESA-N -1 3 303.406 2.891 20 0 DFADHM CC(C)CC[C@H]1CCCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000559017861 429997125 /nfs/dbraw/zinc/99/71/25/429997125.db2.gz JGHPITBYGGXBSX-CYBMUJFWSA-N -1 3 320.437 2.679 20 0 DFADHM COc1ccc(C(=O)N2CC[C@@H](c3cc(C)ccn3)C2)c([O-])c1 ZINC000573979856 429998982 /nfs/dbraw/zinc/99/89/82/429998982.db2.gz KYTVZKWFFACPIB-CYBMUJFWSA-N -1 3 312.369 2.734 20 0 DFADHM Cn1[n-]c([C@H]2CCCN2C(=O)CCCC2CCCCC2)nc1=N ZINC000559247914 430001936 /nfs/dbraw/zinc/00/19/36/430001936.db2.gz IKDQCPCBVWEFCY-CQSZACIVSA-N -1 3 319.453 2.642 20 0 DFADHM Cc1cccc([C@H](C)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC000574046640 430005708 /nfs/dbraw/zinc/00/57/08/430005708.db2.gz KCPTXVULLBQERQ-DZGCQCFKSA-N -1 3 314.389 2.683 20 0 DFADHM O=C(Nc1ccnn1CC1CCC1)c1c[n-]c2ccccc2c1=O ZINC000634471143 430012395 /nfs/dbraw/zinc/01/23/95/430012395.db2.gz RJUKIPYAXOOSDO-UHFFFAOYSA-N -1 3 322.368 2.777 20 0 DFADHM O=C(Nc1ccnn1CC1CCC1)c1cnc2ccccc2c1[O-] ZINC000634471143 430012399 /nfs/dbraw/zinc/01/23/99/430012399.db2.gz RJUKIPYAXOOSDO-UHFFFAOYSA-N -1 3 322.368 2.777 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000634487499 430017177 /nfs/dbraw/zinc/01/71/77/430017177.db2.gz QRSMNOFRWJNRTE-DFBGVHRSSA-N -1 3 309.793 2.811 20 0 DFADHM COCCN1CCC(N=c2nc(C3CCCCC3)[n-]s2)CC1 ZINC000574186258 430019845 /nfs/dbraw/zinc/01/98/45/430019845.db2.gz NCPZUWJOHAWYRD-UHFFFAOYSA-N -1 3 324.494 2.530 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000574216688 430022059 /nfs/dbraw/zinc/02/20/59/430022059.db2.gz CFJCZUJGVQBQCB-WDEREUQCSA-N -1 3 307.394 2.987 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000574216688 430022064 /nfs/dbraw/zinc/02/20/64/430022064.db2.gz CFJCZUJGVQBQCB-WDEREUQCSA-N -1 3 307.394 2.987 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@@H]1CCCSC1 ZINC000561402613 430089440 /nfs/dbraw/zinc/08/94/40/430089440.db2.gz BABLDCFYUGEALO-SECBINFHSA-N -1 3 306.366 2.693 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H]3[C@@H](C)[C@H](C)O[C@H]3C)ccc2[n-]1 ZINC000529985680 430094249 /nfs/dbraw/zinc/09/42/49/430094249.db2.gz XINSZAFNKMMMJJ-VEABSNGSSA-N -1 3 317.389 2.503 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H]3[C@@H](C)[C@H](C)O[C@H]3C)cc2[n-]1 ZINC000529985680 430094252 /nfs/dbraw/zinc/09/42/52/430094252.db2.gz XINSZAFNKMMMJJ-VEABSNGSSA-N -1 3 317.389 2.503 20 0 DFADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1C[C@@H]2COC[C@@H]2C1 ZINC000634778703 430110221 /nfs/dbraw/zinc/11/02/21/430110221.db2.gz LIIZNBJZMFIQHQ-CALCHBBNSA-N -1 3 323.392 2.701 20 0 DFADHM O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1csc(=O)[n-]1 ZINC000529683936 430051064 /nfs/dbraw/zinc/05/10/64/430051064.db2.gz VLQCRJVAYMHDTP-ADEWGFFLSA-N -1 3 306.774 2.570 20 0 DFADHM O=C1CC2(CCCCC2)C(=O)N(c2cc(F)c(F)cc2F)[N-]1 ZINC000634611824 430052106 /nfs/dbraw/zinc/05/21/06/430052106.db2.gz FTTXDMCLGDUVHV-UHFFFAOYSA-N -1 3 312.291 2.822 20 0 DFADHM CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1ccccc1[O-])C2 ZINC000529687211 430052785 /nfs/dbraw/zinc/05/27/85/430052785.db2.gz YTDXGEPMTPGFLS-UHFFFAOYSA-N -1 3 311.385 2.678 20 0 DFADHM O=C1CC2(CCC2)C(=O)[N-]N1c1cc(C(F)(F)F)ccc1F ZINC000634616068 430053415 /nfs/dbraw/zinc/05/34/15/430053415.db2.gz ZQJJRNYMRDPMRT-UHFFFAOYSA-N -1 3 316.254 2.783 20 0 DFADHM CC(C)(C)n1cnc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)n1 ZINC000574970615 430054738 /nfs/dbraw/zinc/05/47/38/430054738.db2.gz MATCZNNULDTWTB-UHFFFAOYSA-N -1 3 317.393 3.105 20 0 DFADHM COc1ccc(OC)c(C(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000560550681 430055561 /nfs/dbraw/zinc/05/55/61/430055561.db2.gz MNVXNSFSDYJLCR-UHFFFAOYSA-N -1 3 315.325 2.864 20 0 DFADHM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cccc(C(C)=O)c2[O-])C1 ZINC000560549296 430055725 /nfs/dbraw/zinc/05/57/25/430055725.db2.gz CHAZCXGATDGWBP-NWDGAFQWSA-N -1 3 319.357 2.513 20 0 DFADHM O=C(NC[C@H]1CCN1C1CCCCC1)c1c([O-])cccc1F ZINC000529719082 430058675 /nfs/dbraw/zinc/05/86/75/430058675.db2.gz LKMQKJVZRINLSO-CYBMUJFWSA-N -1 3 306.381 2.668 20 0 DFADHM CCn1ccnc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000560791521 430066333 /nfs/dbraw/zinc/06/63/33/430066333.db2.gz NHOPYWVLHHOHGI-UHFFFAOYSA-N -1 3 301.346 2.574 20 0 DFADHM Cc1ccc(-c2nc(=O)c3c4c(sc3[n-]2)CSCC4)nn1 ZINC000561093700 430074487 /nfs/dbraw/zinc/07/44/87/430074487.db2.gz RXEPDYRJNGVITR-UHFFFAOYSA-N -1 3 316.411 2.952 20 0 DFADHM COc1cc(C(=O)NCC[C@H]2CC=CCC2)cc(OC)c1[O-] ZINC000529865236 430079698 /nfs/dbraw/zinc/07/96/98/430079698.db2.gz BUEHSEAFPKTYGK-LBPRGKRZSA-N -1 3 305.374 2.886 20 0 DFADHM COc1cccc([C@@H](C(=O)[O-])N2CCc3sccc3C2)c1 ZINC000634690416 430079911 /nfs/dbraw/zinc/07/99/11/430079911.db2.gz LCOOTSCWEAZOLW-HNNXBMFYSA-N -1 3 303.383 2.941 20 0 DFADHM O=C(Cc1cncc([O-])c1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000561245230 430082417 /nfs/dbraw/zinc/08/24/17/430082417.db2.gz LRORFOUQTFHZPY-UHFFFAOYSA-N -1 3 314.360 2.908 20 0 DFADHM O=C([O-])C12CCC(CC1)N2Cc1cn2cc(Cl)ccc2n1 ZINC000634696884 430083177 /nfs/dbraw/zinc/08/31/77/430083177.db2.gz RDEFKEASMNILJL-UHFFFAOYSA-N -1 3 305.765 2.569 20 0 DFADHM CCO[C@@H](CC)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000562710936 430171230 /nfs/dbraw/zinc/17/12/30/430171230.db2.gz NYSREMFHCYPAJX-JTQLQIEISA-N -1 3 310.304 2.504 20 0 DFADHM CCO[C@@H](CC)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000562710936 430171235 /nfs/dbraw/zinc/17/12/35/430171235.db2.gz NYSREMFHCYPAJX-JTQLQIEISA-N -1 3 310.304 2.504 20 0 DFADHM CCO[C@@H](CC)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000562710936 430171240 /nfs/dbraw/zinc/17/12/40/430171240.db2.gz 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/nfs/dbraw/zinc/13/63/42/430136342.db2.gz IRMWNZKMCDEUDG-CYBMUJFWSA-N -1 3 302.418 2.964 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000531373279 430139349 /nfs/dbraw/zinc/13/93/49/430139349.db2.gz LKAKHXBQTUZZRB-NSHDSACASA-N -1 3 320.364 2.651 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@H](CC)CC2CCCC2)n[n-]1 ZINC000540974809 430182305 /nfs/dbraw/zinc/18/23/05/430182305.db2.gz XEZMUIOQZPONLA-GFCCVEGCSA-N -1 3 307.394 3.131 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@H](CC)CC2CCCC2)[n-]n1 ZINC000540974809 430182307 /nfs/dbraw/zinc/18/23/07/430182307.db2.gz XEZMUIOQZPONLA-GFCCVEGCSA-N -1 3 307.394 3.131 20 0 DFADHM Cc1nocc1[N-]C(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000640480446 430182686 /nfs/dbraw/zinc/18/26/86/430182686.db2.gz KODIDSMZMLNIGR-UHFFFAOYSA-N -1 3 314.267 2.787 20 0 DFADHM COC(=O)c1coc(C(=O)[N-]c2nc3c(s2)CSCC3)c1 ZINC000376108023 277171145 /nfs/dbraw/zinc/17/11/45/277171145.db2.gz ZPXITVFUUGUNKB-UHFFFAOYSA-N -1 3 324.383 2.564 20 0 DFADHM Cc1cc(C)c(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c(C)n1 ZINC000635018445 430197877 /nfs/dbraw/zinc/19/78/77/430197877.db2.gz ZOOLAXMESXRSIC-CHWSQXEVSA-N -1 3 316.323 2.702 20 0 DFADHM CCN1[C@H](C)CN(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@@H]1C ZINC000640611157 430211877 /nfs/dbraw/zinc/21/18/77/430211877.db2.gz CUMDGGMRUYGUCW-TXEJJXNPSA-N -1 3 310.825 2.529 20 0 DFADHM O=C(NC[C@@H]1CCCCS1)c1c[n-]c2ccccc2c1=O ZINC000542459085 430211360 /nfs/dbraw/zinc/21/13/60/430211360.db2.gz UVAJNRXDDKCMDT-NSHDSACASA-N -1 3 302.399 2.544 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000565550951 430219604 /nfs/dbraw/zinc/21/96/04/430219604.db2.gz WESQSUQQSQSDOL-CYBMUJFWSA-N -1 3 315.373 2.965 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000565550951 430219607 /nfs/dbraw/zinc/21/96/07/430219607.db2.gz WESQSUQQSQSDOL-CYBMUJFWSA-N -1 3 315.373 2.965 20 0 DFADHM CCOc1cc(C(=O)[N-]c2nn(C3CCCCC3)cc2C)on1 ZINC000565639174 430221533 /nfs/dbraw/zinc/22/15/33/430221533.db2.gz 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/nfs/dbraw/zinc/24/69/29/430246929.db2.gz ZRLPRFNTRLKKNB-UHFFFAOYSA-N -1 3 317.329 2.937 20 0 DFADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(SC)c1)C1CC1 ZINC000566211894 430248653 /nfs/dbraw/zinc/24/86/53/430248653.db2.gz QHIYCQQPWVCUNF-ZDUSSCGKSA-N -1 3 301.433 2.575 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CNC1(Cc2cccc(Cl)c2)CC1 ZINC000635312032 430252897 /nfs/dbraw/zinc/25/28/97/430252897.db2.gz WRWXJYJLBPNNPJ-UHFFFAOYSA-N -1 3 319.792 2.637 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CNCCc1cc2ccccc2s1 ZINC000635313249 430252997 /nfs/dbraw/zinc/25/29/97/430252997.db2.gz TWAKJQGJYBZGBR-UHFFFAOYSA-N -1 3 315.398 2.665 20 0 DFADHM Cc1cccc([C@@H](NCc2cc(C(=O)[O-])nn2C)C(C)C)c1 ZINC000635314767 430253348 /nfs/dbraw/zinc/25/33/48/430253348.db2.gz MMIYKYXGWLBCBY-INIZCTEOSA-N -1 3 301.390 2.914 20 0 DFADHM COc1cc(Br)ccc1CNCCCCC(=O)[O-] ZINC000635312921 430253655 /nfs/dbraw/zinc/25/36/55/430253655.db2.gz GWEKOAXAIQFLNV-UHFFFAOYSA-N -1 3 316.195 2.802 20 0 DFADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1c(F)cccc1F ZINC000566433534 430259664 /nfs/dbraw/zinc/25/96/64/430259664.db2.gz VBOFSNXOOUHABS-QMMMGPOBSA-N -1 3 319.311 2.829 20 0 DFADHM O=C([O-])[C@H]1CN(CC2CCC(c3ccccc3)CC2)CCO1 ZINC000582046123 430263799 /nfs/dbraw/zinc/26/37/99/430263799.db2.gz OZYXYRGQEWMGAX-BDVYOWHSSA-N -1 3 303.402 2.746 20 0 DFADHM CCOc1ccc(OC(C)(C)C(=O)Nc2ncccc2[O-])cc1 ZINC000544025840 430270449 /nfs/dbraw/zinc/27/04/49/430270449.db2.gz YAFCKCNREFZMKR-UHFFFAOYSA-N -1 3 316.357 2.982 20 0 DFADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1cn2cc(Cl)ccc2n1 ZINC000582127063 430270800 /nfs/dbraw/zinc/27/08/00/430270800.db2.gz GGLHROQVAPUIDU-ZDUSSCGKSA-N -1 3 309.797 2.919 20 0 DFADHM Cc1cc(C)cc([C@@H]2CCN(Cc3oncc3C(=O)[O-])C2)c1 ZINC000567173201 430277331 /nfs/dbraw/zinc/27/73/31/430277331.db2.gz QTGULUYCGNUQAI-CYBMUJFWSA-N -1 3 300.358 2.979 20 0 DFADHM Cc1sc(N[C@H](C)[C@H](c2ccccc2)N(C)C)nc1C(=O)[O-] ZINC000567592111 430285545 /nfs/dbraw/zinc/28/55/45/430285545.db2.gz OALLBNVUZTZWKS-QMTHXVAHSA-N -1 3 319.430 3.253 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)n2cc(-c3ccc(C)cc3)nn2)on1 ZINC000640900799 430279653 /nfs/dbraw/zinc/27/96/53/430279653.db2.gz SOITVWSRIPSNJA-LBPRGKRZSA-N -1 3 311.345 2.750 20 0 DFADHM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H]1CCC(C)(C)C1 ZINC000582276350 430284062 /nfs/dbraw/zinc/28/40/62/430284062.db2.gz BFIGBRDGFFRRSH-GFCCVEGCSA-N -1 3 321.446 2.519 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)n[n-]1 ZINC000542834374 430229271 /nfs/dbraw/zinc/22/92/71/430229271.db2.gz GDCFPNYSOFSSCS-FRRDWIJNSA-N -1 3 319.405 3.131 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)[n-]n1 ZINC000542834374 430229274 /nfs/dbraw/zinc/22/92/74/430229274.db2.gz GDCFPNYSOFSSCS-FRRDWIJNSA-N -1 3 319.405 3.131 20 0 DFADHM CCN(Cc1cn2ccccc2n1)C1CCC(C(=O)[O-])CC1 ZINC000581737824 430237591 /nfs/dbraw/zinc/23/75/91/430237591.db2.gz TYWMVLBUUFJUAT-UHFFFAOYSA-N -1 3 301.390 2.800 20 0 DFADHM Cc1ccc(NC(=O)[C@H](N)[C@H](C)OCc2ccccc2)c([O-])c1 ZINC000638270885 430290532 /nfs/dbraw/zinc/29/05/32/430290532.db2.gz ODKKBCQKKNKRNZ-SUMWQHHRSA-N -1 3 314.385 2.572 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CC12CC2)c1cc(F)ccc1OC(F)F ZINC000582353568 430292934 /nfs/dbraw/zinc/29/29/34/430292934.db2.gz LPUOGEJZBBWJIN-QMMMGPOBSA-N -1 3 321.320 2.506 20 0 DFADHM CCO[C@@H](C)c1nc(CN(C)c2ccncc2C(=O)[O-])cs1 ZINC000567978754 430300606 /nfs/dbraw/zinc/30/06/06/430300606.db2.gz QSWYDMPYKDBAJS-JTQLQIEISA-N -1 3 321.402 2.970 20 0 DFADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)[C@@H]1C[C@@]12CCOC2 ZINC000582521927 430307319 /nfs/dbraw/zinc/30/73/19/430307319.db2.gz FOQROSHHHKJSNV-APPDUMDISA-N -1 3 324.340 2.583 20 0 DFADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)[C@@H]1C[C@@]12CCOC2 ZINC000582521927 430307323 /nfs/dbraw/zinc/30/73/23/430307323.db2.gz FOQROSHHHKJSNV-APPDUMDISA-N -1 3 324.340 2.583 20 0 DFADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1C[C@@]12CCOC2 ZINC000582521927 430307329 /nfs/dbraw/zinc/30/73/29/430307329.db2.gz FOQROSHHHKJSNV-APPDUMDISA-N -1 3 324.340 2.583 20 0 DFADHM O=C([O-])c1cccc(OCCN2CCC([C@H]3CCCO3)CC2)c1 ZINC000568062607 430311253 /nfs/dbraw/zinc/31/12/53/430311253.db2.gz JPQLNZCAIJBMNK-QGZVFWFLSA-N -1 3 319.401 2.655 20 0 DFADHM O=c1cc(Cn2cc(-c3ccccc3F)nn2)nc(C2CC2)[n-]1 ZINC000641048338 430313512 /nfs/dbraw/zinc/31/35/12/430313512.db2.gz GOQZJSBPMKQSTH-UHFFFAOYSA-N -1 3 311.320 2.506 20 0 DFADHM Cc1cccc2nc(CN(C)[C@@H](Cc3ccccc3)C(=O)[O-])cn21 ZINC000568067466 430313550 /nfs/dbraw/zinc/31/35/50/430313550.db2.gz VZNNFXRMOOHBED-KRWDZBQOSA-N -1 3 323.396 2.770 20 0 DFADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Cc1cncc([O-])c1 ZINC000568107438 430318356 /nfs/dbraw/zinc/31/83/56/430318356.db2.gz MUKVUGKBXUSSBW-INIZCTEOSA-N -1 3 312.369 2.532 20 0 DFADHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)s1 ZINC000568159169 430321830 /nfs/dbraw/zinc/32/18/30/430321830.db2.gz TVQOHPQISQPRNF-TZMCWYRMSA-N -1 3 318.423 2.529 20 0 DFADHM CCc1cccc(C(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000545954031 430337483 /nfs/dbraw/zinc/33/74/83/430337483.db2.gz 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CCc1cccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c1[O-] ZINC000636353101 430522471 /nfs/dbraw/zinc/52/24/71/430522471.db2.gz BIGXNQWIPOZVID-NSHDSACASA-N -1 3 319.386 2.910 20 0 DFADHM Cc1nc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c(C)s1 ZINC000636353751 430522552 /nfs/dbraw/zinc/52/25/52/430522552.db2.gz GHOPHMUGCCXARN-MRVPVSSYSA-N -1 3 310.404 2.715 20 0 DFADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cc2[nH]ccc2s1 ZINC000636357599 430523009 /nfs/dbraw/zinc/52/30/09/430523009.db2.gz HTZLKHDPBZZGGB-QMMMGPOBSA-N -1 3 320.399 3.185 20 0 DFADHM CC(C)[C@H](CO)N(Cc1ccccc1)Cc1ncccc1[O-] ZINC000570366286 430535459 /nfs/dbraw/zinc/53/54/59/430535459.db2.gz WXBSQVDAYDKNDG-KRWDZBQOSA-N -1 3 300.402 2.806 20 0 DFADHM CCC(C)(C)c1nnc([N-][C@@H](C)c2ncc(C(=O)OC)s2)o1 ZINC000603396148 430549601 /nfs/dbraw/zinc/54/96/01/430549601.db2.gz KOPJMVWKUNOOBL-QMMMGPOBSA-N -1 3 324.406 3.173 20 0 DFADHM O=S(=O)([N-]C1CC=CC1)c1cc(Cl)ccc1OC(F)F ZINC000643209832 430558972 /nfs/dbraw/zinc/55/89/72/430558972.db2.gz PBAMDJMCVVAXLS-UHFFFAOYSA-N -1 3 323.748 2.938 20 0 DFADHM CCOc1cc(CNc2c[nH]cn2)cc(Br)c1[O-] ZINC000570778967 430574759 /nfs/dbraw/zinc/57/47/59/430574759.db2.gz DBHYYVPOFRXNAV-UHFFFAOYSA-N -1 3 312.167 2.889 20 0 DFADHM O=C(Cc1cncc([O-])c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000570816739 430579244 /nfs/dbraw/zinc/57/92/44/430579244.db2.gz UNOVIQOQZZYPFK-AWEZNQCLSA-N -1 3 314.360 2.560 20 0 DFADHM C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1c([O-])cccc1Cl ZINC000552781676 430601828 /nfs/dbraw/zinc/60/18/28/430601828.db2.gz RNZGFYUGMRDEGZ-MNOVXSKESA-N -1 3 313.781 2.958 20 0 DFADHM CC(=O)Nc1cccc(C(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000552287506 430593278 /nfs/dbraw/zinc/59/32/78/430593278.db2.gz UJGWBCUNKCUWMP-UHFFFAOYSA-N -1 3 312.325 2.806 20 0 DFADHM CC(C)Sc1ccc(CN2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000571768722 430652087 /nfs/dbraw/zinc/65/20/87/430652087.db2.gz JSYDOBXJWBARAR-UHFFFAOYSA-N -1 3 309.431 2.599 20 0 DFADHM Cc1cccc(C)c1OCCCN1CCSC[C@@H]1C(=O)[O-] ZINC000571107234 430605537 /nfs/dbraw/zinc/60/55/37/430605537.db2.gz ZMIMDAJSTPMXCW-CQSZACIVSA-N -1 3 309.431 2.574 20 0 DFADHM COCCc1ccccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553223086 430611464 /nfs/dbraw/zinc/61/14/64/430611464.db2.gz TXCFLHVJDORRSZ-UHFFFAOYSA-N -1 3 313.357 2.501 20 0 DFADHM [O-]c1cccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1Cl ZINC000639358761 430620024 /nfs/dbraw/zinc/62/00/24/430620024.db2.gz BPYPNWGHYDPVGO-HZPDHXFCSA-N -1 3 319.788 2.670 20 0 DFADHM O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ncccc2[O-])C1 ZINC000571483251 430630481 /nfs/dbraw/zinc/63/04/81/430630481.db2.gz PZGMQTJKYUTMBH-CQSZACIVSA-N -1 3 311.385 2.638 20 0 DFADHM O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2ncccc2[O-])C1 ZINC000571483251 430630485 /nfs/dbraw/zinc/63/04/85/430630485.db2.gz PZGMQTJKYUTMBH-CQSZACIVSA-N -1 3 311.385 2.638 20 0 DFADHM COc1cccc([C@H]2C[C@H](NC(=O)c3cccc4nn[n-]c43)C2)c1 ZINC000571518614 430634754 /nfs/dbraw/zinc/63/47/54/430634754.db2.gz IEXUFACSBMHMDK-JOCQHMNTSA-N -1 3 322.368 2.643 20 0 DFADHM COc1cccc([C@H]2C[C@H](NC(=O)c3cccc4[n-]nnc43)C2)c1 ZINC000571518614 430634758 /nfs/dbraw/zinc/63/47/58/430634758.db2.gz IEXUFACSBMHMDK-JOCQHMNTSA-N -1 3 322.368 2.643 20 0 DFADHM COc1cccc([C@H]2C[C@H](NC(=O)c3cccc4n[n-]nc43)C2)c1 ZINC000571518614 430634760 /nfs/dbraw/zinc/63/47/60/430634760.db2.gz IEXUFACSBMHMDK-JOCQHMNTSA-N -1 3 322.368 2.643 20 0 DFADHM COc1cccc2c1O[C@@H](c1ncccc1C(F)(F)F)[N-]C2=O ZINC000639427399 430638031 /nfs/dbraw/zinc/63/80/31/430638031.db2.gz CGTKWLHNAFABIB-AWEZNQCLSA-N -1 3 324.258 2.930 20 0 DFADHM C[C@H]1CCCN(Cc2ccn(-c3cccc(F)c3)n2)[C@H]1C(=O)[O-] ZINC000643882595 430638741 /nfs/dbraw/zinc/63/87/41/430638741.db2.gz QIERNJFVLIZRNR-BLLLJJGKSA-N -1 3 317.364 2.697 20 0 DFADHM O=C([O-])CCN(Cc1ccc2ncccc2c1)C[C@H]1CCCO1 ZINC000571932047 430661689 /nfs/dbraw/zinc/66/16/89/430661689.db2.gz YRSKWFLHYNRRDT-MRXNPFEDSA-N -1 3 314.385 2.691 20 0 DFADHM O=C(Nc1ccc(N2CCCCC2)nc1)c1cc(C(F)F)[n-]n1 ZINC000639475217 430649461 /nfs/dbraw/zinc/64/94/61/430649461.db2.gz XRIWIXLTUWUNGF-UHFFFAOYSA-N -1 3 321.331 2.985 20 0 DFADHM CC(C)N(C)c1ccc(CN2CCC[C@H](CC(=O)[O-])C2)cn1 ZINC000571981340 430664468 /nfs/dbraw/zinc/66/44/68/430664468.db2.gz KLEPHSYXSWJKJH-CQSZACIVSA-N -1 3 305.422 2.613 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccccn1 ZINC000555850095 430675392 /nfs/dbraw/zinc/67/53/92/430675392.db2.gz KMZMXIMYEFWMOD-YEORSEQZSA-N -1 3 324.352 2.584 20 0 DFADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000572304900 430680792 /nfs/dbraw/zinc/68/07/92/430680792.db2.gz KTNMPSQKUBTXMT-UHFFFAOYSA-N -1 3 312.341 2.619 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)c([O-])c1 ZINC000299361333 278024345 /nfs/dbraw/zinc/02/43/45/278024345.db2.gz YRGDANGXTSXPMN-OAHLLOKOSA-N -1 3 302.418 2.826 20 0 DFADHM CCCNC(=O)c1cccc(NC(=O)c2cc(C(F)F)[n-]n2)c1 ZINC000639526737 430662604 /nfs/dbraw/zinc/66/26/04/430662604.db2.gz MRIQSNARHRWBCI-UHFFFAOYSA-N -1 3 322.315 2.739 20 0 DFADHM C[C@@H]1CCN(Cc2cnc(-c3ccncc3)s2)C[C@H]1C(=O)[O-] ZINC000572404340 430686309 /nfs/dbraw/zinc/68/63/09/430686309.db2.gz GMYAJLOVALITNT-BXUZGUMPSA-N -1 3 317.414 2.748 20 0 DFADHM CC(C)c1noc(=N[C@@H]2CCN([C@H](C)c3ccccc3)C2)[n-]1 ZINC000359488255 278070895 /nfs/dbraw/zinc/07/08/95/278070895.db2.gz PCHKWNXLVYQJOB-UKRRQHHQSA-N -1 3 300.406 2.862 20 0 DFADHM C[C@H](CNC(=O)Cc1cncc([O-])c1)c1ccc(F)cc1F ZINC000572422644 430687120 /nfs/dbraw/zinc/68/71/20/430687120.db2.gz DWUSSPXHEHLQCR-SNVBAGLBSA-N -1 3 306.312 2.528 20 0 DFADHM COc1coc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1=O ZINC000282498706 278077785 /nfs/dbraw/zinc/07/77/85/278077785.db2.gz WNDLOEUFJNMNGC-SNVBAGLBSA-N -1 3 315.325 2.508 20 0 DFADHM CC(C)n1[n-]cc/c1=N\C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000191064471 278119951 /nfs/dbraw/zinc/11/99/51/278119951.db2.gz MMPFIVNKCZHQJK-XXACCHKKSA-N -1 3 318.352 2.670 20 0 DFADHM CC(C)n1ncc2c1[C@H](NC(=O)c1ccc(O)cc1[O-])CCC2 ZINC000375183775 278147302 /nfs/dbraw/zinc/14/73/02/278147302.db2.gz OUROACXVSRSVOQ-CQSZACIVSA-N -1 3 315.373 2.683 20 0 DFADHM C[C@H]1CCN(Cc2c[nH]nc2-c2cccs2)C[C@H]1C(=O)[O-] ZINC000572602172 430691865 /nfs/dbraw/zinc/69/18/65/430691865.db2.gz JUBQVBJSEUKBOY-CMPLNLGQSA-N -1 3 305.403 2.681 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@@H](C)N1C ZINC000358711916 288019475 /nfs/dbraw/zinc/01/94/75/288019475.db2.gz DMXCHKQSPWLKJR-NXEZZACHSA-N -1 3 316.323 2.576 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1[O-] ZINC000556812858 430693304 /nfs/dbraw/zinc/69/33/04/430693304.db2.gz ULGGWKAZSTYTQW-INIZCTEOSA-N -1 3 310.353 2.967 20 0 DFADHM CCc1[nH]ccc1C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000556802222 430693563 /nfs/dbraw/zinc/69/35/63/430693563.db2.gz LLLBMOFLOLCLME-UHFFFAOYSA-N -1 3 311.345 2.623 20 0 DFADHM CCc1ccc([C@@H]2CCN(Cc3oncc3C(=O)[O-])C2)cc1 ZINC000572986752 430699178 /nfs/dbraw/zinc/69/91/78/430699178.db2.gz RJSIAOYLLRBIFD-CQSZACIVSA-N -1 3 300.358 2.925 20 0 DFADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCO1 ZINC000270144109 278389138 /nfs/dbraw/zinc/38/91/38/278389138.db2.gz GPNWIZIRBZNWQW-LLVKDONJSA-N -1 3 321.801 2.715 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H]3CCCC3(F)F)ccc2[n-]1 ZINC000644263551 430713755 /nfs/dbraw/zinc/71/37/55/430713755.db2.gz BIJAIQZVBHTBQN-GFCCVEGCSA-N -1 3 309.316 2.879 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H]3CCCC3(F)F)cc2[n-]1 ZINC000644263551 430713761 /nfs/dbraw/zinc/71/37/61/430713761.db2.gz BIJAIQZVBHTBQN-GFCCVEGCSA-N -1 3 309.316 2.879 20 0 DFADHM C[C@@H](NCc1cc([O-])ccc1Br)c1nccn1C ZINC000657794850 430737085 /nfs/dbraw/zinc/73/70/85/430737085.db2.gz XSRXCVNAGSISBH-SECBINFHSA-N -1 3 310.195 2.739 20 0 DFADHM COc1cc(C(=O)NC2(C(F)F)CCCC2)cc(OC)c1[O-] ZINC000644558756 430753445 /nfs/dbraw/zinc/75/34/45/430753445.db2.gz JJQUEZXMNVNKGN-UHFFFAOYSA-N -1 3 315.316 2.717 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C2CC2)C2CCC2)c1 ZINC000654664392 430771827 /nfs/dbraw/zinc/77/18/27/430771827.db2.gz PKIZOKXRHJIMOF-INIZCTEOSA-N -1 3 302.374 2.659 20 0 DFADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3nc[n-]n3)sc2C1 ZINC000272209125 278508929 /nfs/dbraw/zinc/50/89/29/278508929.db2.gz NTSMRNBQPSPUFG-MRVPVSSYSA-N -1 3 305.407 2.665 20 0 DFADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC1CCC1 ZINC000651515546 430813506 /nfs/dbraw/zinc/81/35/06/430813506.db2.gz KWZJCICILHPKDO-UHFFFAOYSA-N -1 3 324.265 2.897 20 0 DFADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1C ZINC000651518851 430813563 /nfs/dbraw/zinc/81/35/63/430813563.db2.gz UFTTXEWLQVUZTF-POYBYMJQSA-N -1 3 324.265 2.753 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2noc(C(F)F)n2)c1 ZINC000644779641 430822384 /nfs/dbraw/zinc/82/23/84/430822384.db2.gz MLYIAWKQJHWPQF-ZETCQYMHSA-N -1 3 311.288 2.766 20 0 DFADHM C[C@@H]1CCN(C(=O)[C@H]2CCn3ccnc3C2)c2c([O-])cccc21 ZINC000186296180 278538692 /nfs/dbraw/zinc/53/86/92/278538692.db2.gz OTHQCPODQKURJB-OLZOCXBDSA-N -1 3 311.385 2.692 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000651616314 430830166 /nfs/dbraw/zinc/83/01/66/430830166.db2.gz YGGYKJGKFXQMNY-QWHCGFSZSA-N -1 3 321.801 2.715 20 0 DFADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2)CCO1 ZINC000651626129 430832270 /nfs/dbraw/zinc/83/22/70/430832270.db2.gz DPSLWKWBYBATBG-VHSXEESVSA-N -1 3 321.801 2.573 20 0 DFADHM C[C@H]1CC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000651624305 430833168 /nfs/dbraw/zinc/83/31/68/430833168.db2.gz ITMBLPAMIJIEMG-IUCAKERBSA-N -1 3 321.801 2.713 20 0 DFADHM CC(C)[C@@H]1C[C@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431888 430784336 /nfs/dbraw/zinc/78/43/36/430784336.db2.gz ICZITEWVXWFNPW-JGVFFNPUSA-N -1 3 309.719 2.751 20 0 DFADHM CC(C)[C@@H]1C[C@@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431890 430784523 /nfs/dbraw/zinc/78/45/23/430784523.db2.gz ICZITEWVXWFNPW-YUMQZZPRSA-N -1 3 309.719 2.751 20 0 DFADHM CC(C)(C)c1ccccc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000332514279 278563027 /nfs/dbraw/zinc/56/30/27/278563027.db2.gz LPSMDCWOSNFFNT-UHFFFAOYSA-N -1 3 311.385 2.678 20 0 DFADHM CC1(C)C[C@H](N=c2ncnc3[nH][n-]cc2-3)c2cc(F)ccc2O1 ZINC000651415586 430791379 /nfs/dbraw/zinc/79/13/79/430791379.db2.gz IODACOBJQIYJHS-LBPRGKRZSA-N -1 3 313.336 2.580 20 0 DFADHM CCC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccn1 ZINC000654722729 430794883 /nfs/dbraw/zinc/79/48/83/430794883.db2.gz BFZFKXUYLGEPSR-ZDUSSCGKSA-N -1 3 312.373 2.726 20 0 DFADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654773240 430808611 /nfs/dbraw/zinc/80/86/11/430808611.db2.gz ABOUOXXSCXQKKT-MGPLVRAMSA-N -1 3 309.369 2.723 20 0 DFADHM [O-]c1coc2ccc(-c3ccc(CN4CCOCC4)cc3)cc12 ZINC000665186964 430850422 /nfs/dbraw/zinc/85/04/22/430850422.db2.gz YJBGDKDFAOTTSX-UHFFFAOYSA-N -1 3 309.365 2.761 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCSC1)c1ccc(Cl)c(F)c1 ZINC000651706600 430853639 /nfs/dbraw/zinc/85/36/39/430853639.db2.gz GTTZLJOGRLMNRP-SECBINFHSA-N -1 3 323.842 2.901 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)c([O-])c1 ZINC000665202403 430855311 /nfs/dbraw/zinc/85/53/11/430855311.db2.gz CBGNJAADFJZXDR-HIFRSBDPSA-N -1 3 316.401 2.820 20 0 DFADHM O=S(=O)([N-]CC1CC(F)(F)C1)c1ccc(Cl)c(F)c1 ZINC000651713969 430856838 /nfs/dbraw/zinc/85/68/38/430856838.db2.gz LAHDJXLXKJVQJD-UHFFFAOYSA-N -1 3 313.728 2.803 20 0 DFADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000651731711 430860420 /nfs/dbraw/zinc/86/04/20/430860420.db2.gz WNHDYXLDXPFHFP-OQPBUACISA-N -1 3 321.801 2.571 20 0 DFADHM O=S(=O)([N-][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(Cl)c(F)c1 ZINC000651756198 430866276 /nfs/dbraw/zinc/86/62/76/430866276.db2.gz NPGQLCTXZHCNJV-OPRDCNLKSA-N -1 3 303.786 2.946 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCC([C@@H]3CCCCO3)CC2)n1 ZINC000661863267 430870677 /nfs/dbraw/zinc/87/06/77/430870677.db2.gz GYYJSTFWKJPLIN-HNNXBMFYSA-N -1 3 305.422 2.526 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]([C@@H]3CCCCO3)C2)n1 ZINC000661878371 430877341 /nfs/dbraw/zinc/87/73/41/430877341.db2.gz NGDKEURSTRACFK-ZFWWWQNUSA-N -1 3 305.422 2.526 20 0 DFADHM COc1ccc2c(c1)[C@@H](C(=O)NCc1ncccc1[O-])CCC2 ZINC000655041261 430879278 /nfs/dbraw/zinc/87/92/78/430879278.db2.gz AKCIOGGTPRYXEN-AWEZNQCLSA-N -1 3 312.369 2.532 20 0 DFADHM COc1cccc2c(C(=O)Nc3cnc(C)nc3C3CC3)[n-]nc21 ZINC000655050422 430880337 /nfs/dbraw/zinc/88/03/37/430880337.db2.gz CQHHTDUZZCZEDZ-UHFFFAOYSA-N -1 3 323.356 2.800 20 0 DFADHM COc1cccc2c(C(=O)Nc3cnc(C)nc3C3CC3)n[n-]c21 ZINC000655050422 430880343 /nfs/dbraw/zinc/88/03/43/430880343.db2.gz CQHHTDUZZCZEDZ-UHFFFAOYSA-N -1 3 323.356 2.800 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCN(C)C(C)(C)C2)c([O-])c1 ZINC000655052123 430882209 /nfs/dbraw/zinc/88/22/09/430882209.db2.gz MFNDQPMGCVIJLD-UHFFFAOYSA-N -1 3 320.433 2.737 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c1 ZINC000651821438 430887744 /nfs/dbraw/zinc/88/77/44/430887744.db2.gz OFHVWIUGQYNHCG-CQSZACIVSA-N -1 3 315.460 2.540 20 0 DFADHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651661182 430842225 /nfs/dbraw/zinc/84/22/25/430842225.db2.gz OVZWTWWMZWXGLT-UHFFFAOYSA-N -1 3 309.790 2.573 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2ccn(C(C)(C)C)n2)c1[O-] ZINC000655081460 430888728 /nfs/dbraw/zinc/88/87/28/430888728.db2.gz PSZPVEWAAOWMJJ-UHFFFAOYSA-N -1 3 301.346 2.799 20 0 DFADHM C[C@H]1N(Cc2nc3c(cnn3C)c(=O)[n-]2)c2ccccc2C1(C)C ZINC000661799381 430844538 /nfs/dbraw/zinc/84/45/38/430844538.db2.gz WWPACQYYAYDXIY-LLVKDONJSA-N -1 3 323.400 2.755 20 0 DFADHM Cn1nccc1[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000648783908 430891403 /nfs/dbraw/zinc/89/14/03/430891403.db2.gz XAVLZVQQIKCEPB-SWLSCSKDSA-N -1 3 321.808 2.789 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)Cc2nc(C3CC3)nn2C)c1[O-] ZINC000648842495 430910866 /nfs/dbraw/zinc/91/08/66/430910866.db2.gz ZCVLUJDIOSJVEF-UHFFFAOYSA-N -1 3 320.780 2.541 20 0 DFADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCc2ncncc2C1 ZINC000648841135 430911508 /nfs/dbraw/zinc/91/15/08/430911508.db2.gz CRXZRPNCIMEOLN-SECBINFHSA-N -1 3 303.749 2.579 20 0 DFADHM [O-]c1cccc(CNC2CCN(CC(F)F)CC2)c1Cl ZINC000645151784 430916449 /nfs/dbraw/zinc/91/64/49/430916449.db2.gz JQQASHBDQAVKOY-UHFFFAOYSA-N -1 3 304.768 2.865 20 0 DFADHM [O-]c1cccc(CNC[C@@H]2CCCN2c2cccnn2)c1Cl ZINC000645153769 430918130 /nfs/dbraw/zinc/91/81/30/430918130.db2.gz QJWAHZAAJQSKJN-ZDUSSCGKSA-N -1 3 318.808 2.594 20 0 DFADHM [O-]c1cccc(CN[C@]2(CO)CCc3ccccc32)c1Cl ZINC000645166770 430921980 /nfs/dbraw/zinc/92/19/80/430921980.db2.gz KOWABCIMWBRXIM-KRWDZBQOSA-N -1 3 303.789 2.969 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCc3ccccc3NC2=O)c1 ZINC000655224230 430932945 /nfs/dbraw/zinc/93/29/45/430932945.db2.gz RAOPJRVJIIAYAU-INIZCTEOSA-N -1 3 324.380 2.638 20 0 DFADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2c[n-]c3ccncc3c2=O)C1 ZINC000665475802 430942801 /nfs/dbraw/zinc/94/28/01/430942801.db2.gz MRMXHFXYWFCHRC-GFCCVEGCSA-N -1 3 313.401 2.821 20 0 DFADHM Cc1ccc(CN(CC2CC2)C(=O)c2ccc3n[n-]nc3c2)cn1 ZINC000649011238 430972871 /nfs/dbraw/zinc/97/28/71/430972871.db2.gz RCOLFRNJWTWZGD-UHFFFAOYSA-N -1 3 321.384 2.714 20 0 DFADHM CC(C)[C@H]1CN(C(=O)Cc2cncc([O-])c2)c2ccccc2N1 ZINC000655392191 430990944 /nfs/dbraw/zinc/99/09/44/430990944.db2.gz SWBHGCRVXOBUDV-MRXNPFEDSA-N -1 3 311.385 2.813 20 0 DFADHM Cc1cc(NC(=O)Cc2cncc([O-])c2)nn1C1CCCCC1 ZINC000655400347 430991254 /nfs/dbraw/zinc/99/12/54/430991254.db2.gz NZEAXBSAUXUQMC-UHFFFAOYSA-N -1 3 314.389 2.979 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cc1[O-] ZINC000655409339 430995766 /nfs/dbraw/zinc/99/57/66/430995766.db2.gz RGNUBYPHSSKGIE-IAGOWNOFSA-N -1 3 317.385 2.672 20 0 DFADHM CC[C@H]1CN2CCCC[C@H]2CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000649104365 431000964 /nfs/dbraw/zinc/00/09/64/431000964.db2.gz VTEYLYMASMFVHY-GJZGRUSLSA-N -1 3 320.408 2.549 20 0 DFADHM C[C@H](Cc1ccccn1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000655305514 430954111 /nfs/dbraw/zinc/95/41/11/430954111.db2.gz GTCPJWDBNQQGAT-CYBMUJFWSA-N -1 3 316.376 2.996 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[O-] ZINC000655336678 430964551 /nfs/dbraw/zinc/96/45/51/430964551.db2.gz NWGZNUFVLJOZCY-AAEUAGOBSA-N -1 3 317.307 2.930 20 0 DFADHM O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc([O-])c(Cl)c1 ZINC000655350145 430969632 /nfs/dbraw/zinc/96/96/32/430969632.db2.gz XELWPGVXLVHHNS-KBPBESRZSA-N -1 3 308.809 2.792 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCS[C@@H]3C)c[n-]c12 ZINC000649175333 431020763 /nfs/dbraw/zinc/02/07/63/431020763.db2.gz SKOYVKLWKKCXBQ-RNCFNFMXSA-N -1 3 320.389 2.599 20 0 DFADHM CCCC[C@@H](C(=O)[O-])N(CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000652371928 431036076 /nfs/dbraw/zinc/03/60/76/431036076.db2.gz KJCRGSVBCLLGFT-AWEZNQCLSA-N -1 3 317.389 2.801 20 0 DFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(N(C)C)cc1F ZINC000649230299 431036106 /nfs/dbraw/zinc/03/61/06/431036106.db2.gz CZDOBFPDROETKQ-UHFFFAOYSA-N -1 3 304.369 2.721 20 0 DFADHM CCCOc1cccnc1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229899 431036307 /nfs/dbraw/zinc/03/63/07/431036307.db2.gz RNOGFXGDSNLNQD-UHFFFAOYSA-N -1 3 302.378 2.700 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCc3ccccc3N2)o1 ZINC000652382798 431036781 /nfs/dbraw/zinc/03/67/81/431036781.db2.gz UMHLWDFSEJWUER-AWEZNQCLSA-N -1 3 320.414 2.683 20 0 DFADHM O=S(=O)([N-][C@H]1CCCc2cc(F)ccc21)c1cscn1 ZINC000645636094 431040482 /nfs/dbraw/zinc/04/04/82/431040482.db2.gz WMPXXJMXPQHVEI-LBPRGKRZSA-N -1 3 312.391 2.638 20 0 DFADHM CCN(C[C@@H]1CCOC1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000652393632 431041265 /nfs/dbraw/zinc/04/12/65/431041265.db2.gz KJMWUPLCVHFGKE-HZMBPMFUSA-N -1 3 315.772 2.963 20 0 DFADHM Cc1ccccc1OCCCN(C)[C@H](C(=O)[O-])c1cccnc1 ZINC000652398188 431041378 /nfs/dbraw/zinc/04/13/78/431041378.db2.gz DULSZUWLCNBXJW-KRWDZBQOSA-N -1 3 314.385 2.917 20 0 DFADHM CN(C)CCN(CC1CCCCC1)C(=O)CCCCC(=O)[O-] ZINC000655541406 431042292 /nfs/dbraw/zinc/04/22/92/431042292.db2.gz DFYJNCUIBNXPAU-UHFFFAOYSA-N -1 3 312.454 2.602 20 0 DFADHM Cc1csc([C@H]2CCCN(Cc3ncccc3C(=O)[O-])C2)n1 ZINC000652406875 431042512 /nfs/dbraw/zinc/04/25/12/431042512.db2.gz GGSSCTCANQJESE-LBPRGKRZSA-N -1 3 317.414 2.924 20 0 DFADHM COc1cccc(S(=O)(=O)[N-][C@@H](C)c2cnccc2C)c1F ZINC000655549495 431044982 /nfs/dbraw/zinc/04/49/82/431044982.db2.gz RJGUPJNIIQNYGO-NSHDSACASA-N -1 3 324.377 2.577 20 0 DFADHM COc1cccc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C2)c1F ZINC000655549671 431045634 /nfs/dbraw/zinc/04/56/34/431045634.db2.gz ZIQVPYXSJVTXID-JTQLQIEISA-N -1 3 301.383 2.691 20 0 DFADHM C[C@@H]1CN(Cc2oncc2C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000652427937 431048489 /nfs/dbraw/zinc/04/84/89/431048489.db2.gz YTQJLARHCJCFTE-OCCSQVGLSA-N -1 3 300.358 2.998 20 0 DFADHM O=C([O-])c1ccccc1CCN1CCC[C@H](OCC2CC2)C1 ZINC000652426000 431048632 /nfs/dbraw/zinc/04/86/32/431048632.db2.gz ARIWMMWWUULXPD-INIZCTEOSA-N -1 3 303.402 2.818 20 0 DFADHM CCO[C@H]1C[C@H](N(C)Cc2ccc(C(=O)[O-])cn2)C12CCC2 ZINC000652441191 431053773 /nfs/dbraw/zinc/05/37/73/431053773.db2.gz WPMOMGSDMMIKAU-GJZGRUSLSA-N -1 3 304.390 2.559 20 0 DFADHM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)[O-])co1 ZINC000652448161 431054648 /nfs/dbraw/zinc/05/46/48/431054648.db2.gz YWQCXNSUVOGBHA-QXMXGUDHSA-N -1 3 315.373 2.622 20 0 DFADHM CCOc1nc2cc(C(=O)N3CC[C@H](C)[C@H](F)C3)ccc2[n-]1 ZINC000649338367 431070153 /nfs/dbraw/zinc/07/01/53/431070153.db2.gz TXGQKQSBSBXPPF-CMPLNLGQSA-N -1 3 305.353 2.782 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CC[C@H](C)[C@H](F)C3)cc2[n-]1 ZINC000649338367 431070160 /nfs/dbraw/zinc/07/01/60/431070160.db2.gz TXGQKQSBSBXPPF-CMPLNLGQSA-N -1 3 305.353 2.782 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(c2cccnc2)CC1 ZINC000649282546 431055654 /nfs/dbraw/zinc/05/56/54/431055654.db2.gz HJCZJNTUDOXUMR-UHFFFAOYSA-N -1 3 314.360 2.875 20 0 DFADHM Cc1cc([C@H](C)N2CC3(CCC3)[C@H]3COC[C@H]32)oc1C(=O)[O-] ZINC000652448902 431055715 /nfs/dbraw/zinc/05/57/15/431055715.db2.gz KBPZKIAJMOSIMN-RWMBFGLXSA-N -1 3 305.374 2.848 20 0 DFADHM COc1cccc(S(=O)(=O)[N-][C@H]2C[C@]2(C)C(C)C)c1F ZINC000655605235 431060651 /nfs/dbraw/zinc/06/06/51/431060651.db2.gz MKYKCTJUNCCVJV-GXTWGEPZSA-N -1 3 301.383 2.547 20 0 DFADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)C(C)C ZINC000645755529 431062324 /nfs/dbraw/zinc/06/23/24/431062324.db2.gz QBGZQIGUFSGOTI-KGLIPLIRSA-N -1 3 301.383 2.547 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000655627186 431066774 /nfs/dbraw/zinc/06/67/74/431066774.db2.gz RMFZTGBKSNRPJE-OCCSQVGLSA-N -1 3 315.460 2.683 20 0 DFADHM Cc1cnc(CCN2CCc3cccc(C(=O)[O-])c3C2)c(C)c1 ZINC000652487602 431067333 /nfs/dbraw/zinc/06/73/33/431067333.db2.gz LAHDCAZVKBJLHN-UHFFFAOYSA-N -1 3 310.397 2.997 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCc2ncc(C)cc2C)c(F)c1 ZINC000655634921 431068506 /nfs/dbraw/zinc/06/85/06/431068506.db2.gz AVMBJICFIZFTCM-UHFFFAOYSA-N -1 3 322.405 2.667 20 0 DFADHM COCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000655640383 431068907 /nfs/dbraw/zinc/06/89/07/431068907.db2.gz OAJNYRNAMWBWNN-UHFFFAOYSA-N -1 3 324.229 2.698 20 0 DFADHM COc1ccc(F)cc1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC000645486200 431013703 /nfs/dbraw/zinc/01/37/03/431013703.db2.gz FUOYVDUYJOULGV-UHFFFAOYSA-N -1 3 301.383 2.835 20 0 DFADHM O=C(NCC1CCC(F)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000649150304 431014248 /nfs/dbraw/zinc/01/42/48/431014248.db2.gz VIBJWRWVPKZELZ-UHFFFAOYSA-N -1 3 302.349 2.786 20 0 DFADHM O=C(NCC1CCC(F)CC1)c1c[n-]c2ccccc2c1=O ZINC000649150260 431014480 /nfs/dbraw/zinc/01/44/80/431014480.db2.gz RTCLZUGGSZUJQC-UHFFFAOYSA-N -1 3 302.349 2.786 20 0 DFADHM CN(C[C@@H](O)C1CC1)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000649161115 431016354 /nfs/dbraw/zinc/01/63/54/431016354.db2.gz CBQWMDXLKNXLKZ-QGZVFWFLSA-N -1 3 313.397 2.707 20 0 DFADHM COc1cccc(S(=O)(=O)[N-]CCCc2ccccc2)c1F ZINC000655461487 431017774 /nfs/dbraw/zinc/01/77/74/431017774.db2.gz CEPPUTFQHPEKAB-UHFFFAOYSA-N -1 3 323.389 2.745 20 0 DFADHM COc1cccc(S(=O)(=O)[N-]CC2CCCCC2)c1F ZINC000655461616 431018346 /nfs/dbraw/zinc/01/83/46/431018346.db2.gz CFPCBCRPDLALTI-UHFFFAOYSA-N -1 3 301.383 2.693 20 0 DFADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H](Oc2ccccc2)C1 ZINC000659801498 431120557 /nfs/dbraw/zinc/12/05/57/431120557.db2.gz FDSVTTGMIRQLNB-OAHLLOKOSA-N -1 3 301.342 2.940 20 0 DFADHM Cc1cc(CN2C[C@]34COC[C@@]3(C2)CCCC4)oc1C(=O)[O-] ZINC000659805529 431123739 /nfs/dbraw/zinc/12/37/39/431123739.db2.gz UNBQBGISRZKJKT-CALCHBBNSA-N -1 3 305.374 2.679 20 0 DFADHM C[C@H](c1ccncc1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000652502113 431072651 /nfs/dbraw/zinc/07/26/51/431072651.db2.gz RHHKZYHSSYOLKO-CYBMUJFWSA-N -1 3 300.358 2.738 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)cs1)[C@@H]1CCCCO1 ZINC000655664897 431073327 /nfs/dbraw/zinc/07/33/27/431073327.db2.gz LRISWNGBECGBGX-RYUDHWBXSA-N -1 3 303.449 2.683 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)[C@@H]1CCCCO1 ZINC000655665432 431073746 /nfs/dbraw/zinc/07/37/46/431073746.db2.gz FVEKMIAOACBQIK-OLZOCXBDSA-N -1 3 315.410 2.760 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C1CCC(F)(F)CC1 ZINC000655664299 431074085 /nfs/dbraw/zinc/07/40/85/431074085.db2.gz SZMXHEHPACZFPG-QMMMGPOBSA-N -1 3 322.377 2.784 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)[C@@H]1CCCCO1 ZINC000655666008 431075200 /nfs/dbraw/zinc/07/52/00/431075200.db2.gz JUUMEXICQQVKTB-KBPBESRZSA-N -1 3 319.373 2.591 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)[C@H]1CCCCO1 ZINC000655666010 431075572 /nfs/dbraw/zinc/07/55/72/431075572.db2.gz JUUMEXICQQVKTB-UONOGXRCSA-N -1 3 319.373 2.591 20 0 DFADHM O=C([O-])[C@@H]1CN(Cc2csc(-c3ccoc3)n2)C[C@H]1C1CC1 ZINC000652515271 431077676 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CC(C)Oc1ncccc1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000648151233 431826832 /nfs/dbraw/zinc/82/68/32/431826832.db2.gz SIQOHMNRUSBDHU-UHFFFAOYSA-N -1 3 318.348 2.572 20 0 DFADHM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000408114398 281068505 /nfs/dbraw/zinc/06/85/05/281068505.db2.gz XSPJQDOTZDCUFD-SNVBAGLBSA-N -1 3 322.352 2.957 20 0 DFADHM CC[C@H]1CO[C@H](C)CN1C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000286110699 281219383 /nfs/dbraw/zinc/21/93/83/281219383.db2.gz FTJUNKKAGGOIRU-OLZOCXBDSA-N -1 3 314.385 2.888 20 0 DFADHM O=C(CNC(=O)CC1CCCC1)Nc1ccc(Cl)cc1[O-] ZINC000153701920 289055725 /nfs/dbraw/zinc/05/57/25/289055725.db2.gz PRBALZAGZCBIST-UHFFFAOYSA-N -1 3 310.781 2.681 20 0 DFADHM CN1CC[C@H]([N-]C(=O)C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194807519 290200787 /nfs/dbraw/zinc/20/07/87/290200787.db2.gz BQCGZELGUFQBRB-QWRGUYRKSA-N -1 3 306.715 2.606 20 0 DFADHM COCc1nc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cs1 ZINC000357799427 293332211 /nfs/dbraw/zinc/33/22/11/293332211.db2.gz VBZAPFCBMQXIOF-RTXFEEFZSA-N -1 3 310.419 2.507 20 0 DFADHM COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)cc2[O-])c1O ZINC000436481934 297005683 /nfs/dbraw/zinc/00/56/83/297005683.db2.gz FXUJMBLNMSPQMF-UHFFFAOYSA-N -1 3 315.325 2.754 20 0 DFADHM Cc1cn2c(n1)[C@H](CNC(=O)c1ccc(C)c(C)c1[O-])CCC2 ZINC000436516325 297008520 /nfs/dbraw/zinc/00/85/20/297008520.db2.gz TYDGLJUFRAOZLQ-AWEZNQCLSA-N -1 3 313.401 2.821 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1[O-] ZINC000436524023 297009039 /nfs/dbraw/zinc/00/90/39/297009039.db2.gz DUDYMWXIJIBSBF-UHFFFAOYSA-N -1 3 305.359 2.822 20 0 DFADHM C[C@H]1CSCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436527685 297009377 /nfs/dbraw/zinc/00/93/77/297009377.db2.gz IVUGWEPHCZQBBP-JTQLQIEISA-N -1 3 307.415 2.683 20 0 DFADHM CCN(CC)c1ccc(CNC(=O)c2ccc(C)cc2[O-])cn1 ZINC000436525958 297009578 /nfs/dbraw/zinc/00/95/78/297009578.db2.gz PPPXSDYNPRXIQP-UHFFFAOYSA-N -1 3 313.401 2.872 20 0 DFADHM COC(=O)[C@H](NC(=O)c1ccc(C)c(C)c1[O-])c1ccccc1 ZINC000436539417 297010494 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COc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)c([O-])c1 ZINC000436571153 297013775 /nfs/dbraw/zinc/01/37/75/297013775.db2.gz BUXYRXVHZXUHMF-HNNXBMFYSA-N -1 3 317.389 2.652 20 0 DFADHM Cc1ccc(C(=O)N2CCOC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000436578801 297014089 /nfs/dbraw/zinc/01/40/89/297014089.db2.gz SLVPLOVGTCVXGP-INIZCTEOSA-N -1 3 311.381 2.784 20 0 DFADHM CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC000436577393 297014117 /nfs/dbraw/zinc/01/41/17/297014117.db2.gz ROGSXEFGHITVBL-UHFFFAOYSA-N -1 3 321.380 2.909 20 0 DFADHM CC[C@H]1CN(C(=O)c2cc(C)ccc2[O-])[C@@H](CC)CN1C(C)=O ZINC000436589604 297015973 /nfs/dbraw/zinc/01/59/73/297015973.db2.gz WSDJVOLUPCIPQS-GJZGRUSLSA-N -1 3 318.417 2.562 20 0 DFADHM COc1ccc(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)c([O-])c1 ZINC000436587094 297015166 /nfs/dbraw/zinc/01/51/66/297015166.db2.gz DRLDVKUGOKPSFM-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM Cc1cc(NC(=O)c2ccc(C)cc2[O-])n(Cc2ccccn2)n1 ZINC000436586090 297015194 /nfs/dbraw/zinc/01/51/94/297015194.db2.gz LFFZYWKDVRIMBC-UHFFFAOYSA-N -1 3 322.368 2.901 20 0 DFADHM COc1cccc(O[C@H](C)CNC(=O)c2ccc(C)cc2[O-])c1 ZINC000436587015 297015209 /nfs/dbraw/zinc/01/52/09/297015209.db2.gz CXRXRDFHTGGYOP-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM Cc1ccc(C(=O)NCCOc2ccc(Cl)cn2)c([O-])c1 ZINC000436585556 297015275 /nfs/dbraw/zinc/01/52/75/297015275.db2.gz JXLMLFZSMXGDME-UHFFFAOYSA-N -1 3 306.749 2.558 20 0 DFADHM CC(C)c1ccc(C(=O)NC[C@H](O)Cc2ccccc2)c([O-])c1 ZINC000436586366 297015316 /nfs/dbraw/zinc/01/53/16/297015316.db2.gz SXAZMYDFLNMBLW-MRXNPFEDSA-N -1 3 313.397 2.849 20 0 DFADHM Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)c([O-])c1 ZINC000436586496 297015409 /nfs/dbraw/zinc/01/54/09/297015409.db2.gz VUAXTADUEGREHG-UHFFFAOYSA-N -1 3 303.265 2.823 20 0 DFADHM CO[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436591600 297015542 /nfs/dbraw/zinc/01/55/42/297015542.db2.gz QTUMNMKPEQENIZ-KGLIPLIRSA-N -1 3 319.401 2.793 20 0 DFADHM CC(C)[C@@H](O)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436589510 297015673 /nfs/dbraw/zinc/01/56/73/297015673.db2.gz WEJOQOPKTZWQDY-SFHVURJKSA-N -1 3 313.397 2.730 20 0 DFADHM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436591598 297015677 /nfs/dbraw/zinc/01/56/77/297015677.db2.gz QTUMNMKPEQENIZ-KBPBESRZSA-N -1 3 319.401 2.793 20 0 DFADHM CO[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436591602 297016429 /nfs/dbraw/zinc/01/64/29/297016429.db2.gz QTUMNMKPEQENIZ-UONOGXRCSA-N -1 3 319.401 2.793 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c([O-])c1 ZINC000436597987 297016787 /nfs/dbraw/zinc/01/67/87/297016787.db2.gz XNILUKFOXDBJEA-ZWKOTPCHSA-N -1 3 311.381 2.904 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000436601676 297017311 /nfs/dbraw/zinc/01/73/11/297017311.db2.gz CTSDOCSDVCSARP-CVEARBPZSA-N -1 3 315.413 2.770 20 0 DFADHM CCCCO[C@H]1C[C@H](NC(=O)c2c([O-])cccc2O)C1(C)C ZINC000436649138 297021348 /nfs/dbraw/zinc/02/13/48/297021348.db2.gz SUTRYQAOAJTDGL-KBPBESRZSA-N -1 3 307.390 2.811 20 0 DFADHM C[C@@H]1OCC[C@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436619814 297018642 /nfs/dbraw/zinc/01/86/42/297018642.db2.gz SPTAJCNBDUFVPF-SUMWQHHRSA-N -1 3 311.381 2.890 20 0 DFADHM CC[C@@](C)(NC(=O)c1ccc([O-])c(OC)c1)c1nccs1 ZINC000436635700 297019615 /nfs/dbraw/zinc/01/96/15/297019615.db2.gz QQLIILBAYIAHOY-OAHLLOKOSA-N -1 3 306.387 2.913 20 0 DFADHM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1ccc(O)cc1[O-] ZINC000436636558 297019960 /nfs/dbraw/zinc/01/99/60/297019960.db2.gz RKKNPWZESDHDNJ-GFCCVEGCSA-N -1 3 305.717 2.615 20 0 DFADHM CCC[C@@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)OC(C)(C)C ZINC000436641729 297020089 /nfs/dbraw/zinc/02/00/89/297020089.db2.gz XCZVCKJYBGZAKS-CYBMUJFWSA-N -1 3 323.389 2.641 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2nnc3ccccn32)c([O-])c1C ZINC000436642768 297020444 /nfs/dbraw/zinc/02/04/44/297020444.db2.gz URBOTUXDCITVEQ-LBPRGKRZSA-N -1 3 310.357 2.543 20 0 DFADHM CN(CCOc1ccccc1Cl)C(=O)c1c([O-])cccc1O ZINC000436645757 297020489 /nfs/dbraw/zinc/02/04/89/297020489.db2.gz DOUKUASSUCIFHI-UHFFFAOYSA-N -1 3 321.760 2.902 20 0 DFADHM CCOc1ccc(NC(=O)c2c([O-])cccc2O)cc1OC ZINC000436650032 297021475 /nfs/dbraw/zinc/02/14/75/297021475.db2.gz YDECABYLUVWUTF-UHFFFAOYSA-N -1 3 303.314 2.757 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCc2ccc(F)c(F)c2C1 ZINC000436650425 297021546 /nfs/dbraw/zinc/02/15/46/297021546.db2.gz ZXJVBTNKCXPKQE-UHFFFAOYSA-N -1 3 305.280 2.575 20 0 DFADHM Cc1cc(O)c(C(C)C)cc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000436649974 297021609 /nfs/dbraw/zinc/02/16/09/297021609.db2.gz YFKPDJPVOHCTCU-UHFFFAOYSA-N -1 3 315.373 2.558 20 0 DFADHM COc1ccc(C(=O)N2CC(c3ccccc3F)C2)c([O-])c1 ZINC000436655520 297021837 /nfs/dbraw/zinc/02/18/37/297021837.db2.gz JABIGEFPQPKPTI-UHFFFAOYSA-N -1 3 301.317 2.780 20 0 DFADHM CC(C)(C)Oc1cccc(CNC(=O)c2ccccc2[O-])n1 ZINC000436654321 297022188 /nfs/dbraw/zinc/02/21/88/297022188.db2.gz WYHQLDCEUYHJKV-UHFFFAOYSA-N -1 3 300.358 2.895 20 0 DFADHM CC(C)c1ccc(C(=O)NCCC(=O)NC(C)(C)C)c([O-])c1 ZINC000436674997 297024053 /nfs/dbraw/zinc/02/40/53/297024053.db2.gz TWGZIHZKIQCYPY-UHFFFAOYSA-N -1 3 306.406 2.550 20 0 DFADHM CCN(CCNC(=O)c1c([O-])cccc1O)c1ccccc1C ZINC000436675376 297024239 /nfs/dbraw/zinc/02/42/39/297024239.db2.gz VDPZYPIKZRNPII-UHFFFAOYSA-N -1 3 314.385 2.663 20 0 DFADHM CSCc1ccc(CNC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436676549 297024264 /nfs/dbraw/zinc/02/42/64/297024264.db2.gz QUAWYZKIUDBQKP-UHFFFAOYSA-N -1 3 303.383 2.891 20 0 DFADHM COc1cccc(C(=O)NCC(C)(C)Oc2ccccc2)c1[O-] ZINC000436694873 297025477 /nfs/dbraw/zinc/02/54/77/297025477.db2.gz DDYFBNADYIMRAB-UHFFFAOYSA-N -1 3 315.369 2.988 20 0 DFADHM COCC(C)(C)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436694979 297025790 /nfs/dbraw/zinc/02/57/90/297025790.db2.gz CFJCRQUOZXCNDZ-UHFFFAOYSA-N -1 3 307.390 2.508 20 0 DFADHM Cc1ccc(C(=O)N[C@H](CO)c2c(F)cccc2F)c([O-])c1C ZINC000436701200 297026220 /nfs/dbraw/zinc/02/62/20/297026220.db2.gz ZNZNYHAAUHDTJR-CQSZACIVSA-N -1 3 321.323 2.751 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)CCC(C)C)c([O-])c1 ZINC000436707646 297026753 /nfs/dbraw/zinc/02/67/53/297026753.db2.gz PEPBMKFTPGZWAH-CQSZACIVSA-N -1 3 320.433 2.761 20 0 DFADHM CCOC(=O)c1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000436720109 297028332 /nfs/dbraw/zinc/02/83/32/297028332.db2.gz RQXZKNPGFQECCO-UHFFFAOYSA-N -1 3 315.325 2.830 20 0 DFADHM CN(C)C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC000436722225 297028465 /nfs/dbraw/zinc/02/84/65/297028465.db2.gz IKCNBUPQRDCNGU-AWEZNQCLSA-N -1 3 320.339 2.703 20 0 DFADHM CCCCCN(CCO)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436728519 297028890 /nfs/dbraw/zinc/02/88/90/297028890.db2.gz APEDCSMHQDZTTL-UHFFFAOYSA-N -1 3 305.418 2.896 20 0 DFADHM COCCN(C(=O)c1cccc(OC)c1[O-])[C@@H]1CCC[C@H]1C ZINC000436730944 297029358 /nfs/dbraw/zinc/02/93/58/297029358.db2.gz IZUUPVFECZBBRB-TZMCWYRMSA-N -1 3 307.390 2.678 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC2(C1)CCCOC2 ZINC000436736992 297029855 /nfs/dbraw/zinc/02/98/55/297029855.db2.gz HJIIFWKDTYJZJK-UHFFFAOYSA-N -1 3 301.386 2.524 20 0 DFADHM C[C@H]1COC(C)(C)CN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436740170 297030453 /nfs/dbraw/zinc/03/04/53/297030453.db2.gz YCJIEYLFYUSQEU-LBPRGKRZSA-N -1 3 303.402 2.911 20 0 DFADHM COCCN(C(=O)c1ccc([O-])c(OC)c1)[C@H]1CCC[C@@H]1C ZINC000436744608 297030959 /nfs/dbraw/zinc/03/09/59/297030959.db2.gz NTSJHGUWCHBYML-JSGCOSHPSA-N -1 3 307.390 2.678 20 0 DFADHM CCc1ccc(C(=O)NCCc2nnc(C(C)C)s2)c([O-])c1 ZINC000436769041 297032993 /nfs/dbraw/zinc/03/29/93/297032993.db2.gz KKWGLTNNPXTKLS-UHFFFAOYSA-N -1 3 319.430 2.902 20 0 DFADHM Cc1ccc(C(=O)NCCc2nnc(C(C)C)s2)c([O-])c1C ZINC000436770812 297033392 /nfs/dbraw/zinc/03/33/92/297033392.db2.gz QLVABZBLZVJJIJ-UHFFFAOYSA-N -1 3 319.430 2.956 20 0 DFADHM COCCOc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436784588 297033803 /nfs/dbraw/zinc/03/38/03/297033803.db2.gz MAVMYAIFWCVMQG-UHFFFAOYSA-N -1 3 317.341 2.678 20 0 DFADHM COCC[C@@H](CO)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436783053 297033963 /nfs/dbraw/zinc/03/39/63/297033963.db2.gz PNYYLBMFYCBTPO-AWEZNQCLSA-N -1 3 323.433 2.766 20 0 DFADHM CN(C)CC1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCC1 ZINC000436780254 297034029 /nfs/dbraw/zinc/03/40/29/297034029.db2.gz ZDKJPMCLZCYDNE-UHFFFAOYSA-N -1 3 316.323 2.625 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@H](CO)C(C)C)c([O-])c1 ZINC000436782176 297034066 /nfs/dbraw/zinc/03/40/66/297034066.db2.gz HVCDBDYPQSISEX-ZDUSSCGKSA-N -1 3 309.406 2.565 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2C[C@@H](C)C[C@H](C)C2)c1 ZINC000436786635 297034148 /nfs/dbraw/zinc/03/41/48/297034148.db2.gz DZAGZDSGMNOSHJ-QWRGUYRKSA-N -1 3 304.390 2.905 20 0 DFADHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](C)C1 ZINC000436796920 297034825 /nfs/dbraw/zinc/03/48/25/297034825.db2.gz XZEKPMMZLPUFTA-HUBLWGQQSA-N -1 3 322.836 2.848 20 0 DFADHM Cc1cccc(C(=O)N(C)CCCC(=O)OC(C)(C)C)c1[O-] ZINC000436794518 297034929 /nfs/dbraw/zinc/03/49/29/297034929.db2.gz BFNYZLZCHRADMK-UHFFFAOYSA-N -1 3 307.390 2.895 20 0 DFADHM CCCCn1cc(CNC(=O)c2cccc(OC)c2[O-])c(C)n1 ZINC000436795338 297034981 /nfs/dbraw/zinc/03/49/81/297034981.db2.gz YJKABYKLFCSXPG-UHFFFAOYSA-N -1 3 317.389 2.636 20 0 DFADHM COc1nc(C)cc(C)c1CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436798716 297035268 /nfs/dbraw/zinc/03/52/68/297035268.db2.gz VHAOAERRWQTLBX-UHFFFAOYSA-N -1 3 314.385 2.959 20 0 DFADHM COc1nc(C)cc(C)c1CNC(=O)c1cccc(C)c1[O-] ZINC000436797810 297035515 /nfs/dbraw/zinc/03/55/15/297035515.db2.gz PKMVMSIIVYDLSK-UHFFFAOYSA-N -1 3 300.358 2.651 20 0 DFADHM CCc1ccc(C(=O)N(CCC(=O)OC)CC(C)C)c([O-])c1 ZINC000436807171 297035775 /nfs/dbraw/zinc/03/57/75/297035775.db2.gz HZJDRCXKUOJKIO-UHFFFAOYSA-N -1 3 307.390 2.616 20 0 DFADHM CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1ccc(O)cc1[O-] ZINC000436837787 297038869 /nfs/dbraw/zinc/03/88/69/297038869.db2.gz HWMUVZWCVXIAGS-CYBMUJFWSA-N -1 3 323.389 2.586 20 0 DFADHM COCC[C@@H](Cc1ccco1)NC(=O)c1ccc(C)cc1[O-] ZINC000436837117 297039063 /nfs/dbraw/zinc/03/90/63/297039063.db2.gz NROUJLFJGJTEOB-ZDUSSCGKSA-N -1 3 303.358 2.671 20 0 DFADHM COC(=O)[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])[C@H]1C ZINC000436864469 297040899 /nfs/dbraw/zinc/04/08/99/297040899.db2.gz ZHFMAZJWNBAYGH-AAEUAGOBSA-N -1 3 305.374 2.539 20 0 DFADHM Cc1ccc(C(=O)N(C)Cc2cn3c(n2)CCCC3)c([O-])c1C ZINC000436878816 297041660 /nfs/dbraw/zinc/04/16/60/297041660.db2.gz DPUYUAFOWIMCJL-UHFFFAOYSA-N -1 3 313.401 2.814 20 0 DFADHM CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436903599 297043589 /nfs/dbraw/zinc/04/35/89/297043589.db2.gz NIXCWKXDHITYCJ-YPMHNXCESA-N -1 3 321.417 2.633 20 0 DFADHM O=C(N[C@@H](CO)c1ccccc1)c1cc2c(cc1[O-])CCCC2 ZINC000436885987 297042209 /nfs/dbraw/zinc/04/22/09/297042209.db2.gz MCZMJPBSOSEKMW-KRWDZBQOSA-N -1 3 311.381 2.734 20 0 DFADHM CC[C@@]1(C)COCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436981961 297049742 /nfs/dbraw/zinc/04/97/42/297049742.db2.gz WDMJSRWSWREKGO-SFHVURJKSA-N -1 3 303.402 2.912 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)c([O-])c1 ZINC000436979234 297049562 /nfs/dbraw/zinc/04/95/62/297049562.db2.gz LEEIQHUUMZYRGK-CYBMUJFWSA-N -1 3 318.417 2.538 20 0 DFADHM Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)ccc1[O-] ZINC000436928321 297045393 /nfs/dbraw/zinc/04/53/93/297045393.db2.gz VXVSYEXWNVRBCB-CJNGLKHVSA-N -1 3 324.380 2.624 20 0 DFADHM Cc1cc(C(=O)NCCN2c3ccccc3C[C@@H]2C)ccc1[O-] ZINC000436928650 297045531 /nfs/dbraw/zinc/04/55/31/297045531.db2.gz WOPLDIJXYTWNKT-AWEZNQCLSA-N -1 3 310.397 2.882 20 0 DFADHM COC(=O)c1cc(OC)ccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436927208 297045552 /nfs/dbraw/zinc/04/55/52/297045552.db2.gz NDIRMUYNICYVEJ-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1ccc([O-])c(C)c1 ZINC000436935525 297046009 /nfs/dbraw/zinc/04/60/09/297046009.db2.gz CSCLRYSHDIPQHS-JKSUJKDBSA-N -1 3 318.417 2.562 20 0 DFADHM CC[C@H]1CN(C(=O)c2ccc([O-])c(C)c2)CCN1CC(F)F ZINC000436934250 297046050 /nfs/dbraw/zinc/04/60/50/297046050.db2.gz WLKLSBWVRYOPOE-ZDUSSCGKSA-N -1 3 312.360 2.502 20 0 DFADHM Cc1ccc([O-])c(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)no2)c1 ZINC000436935846 297046287 /nfs/dbraw/zinc/04/62/87/297046287.db2.gz QYVAIJJELJVTLI-UHFFFAOYSA-N -1 3 308.297 3.000 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@H](O)C(C)(C)C)c([O-])c1 ZINC000436983841 297049655 /nfs/dbraw/zinc/04/96/55/297049655.db2.gz DKRGGVYAPYARHD-OAHLLOKOSA-N -1 3 309.406 2.708 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N(CC(C)C)C(C)C)c([O-])c1 ZINC000436955458 297047717 /nfs/dbraw/zinc/04/77/17/297047717.db2.gz GAYWUDDCJGUOMN-UHFFFAOYSA-N -1 3 320.433 2.714 20 0 DFADHM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436964709 297047981 /nfs/dbraw/zinc/04/79/81/297047981.db2.gz QIRVQLUUGMHOAD-GXTWGEPZSA-N -1 3 303.402 2.911 20 0 DFADHM O=C(NCCC1CCOCC1)c1ccc2c(c1[O-])CCCC2 ZINC000436961166 297048023 /nfs/dbraw/zinc/04/80/23/297048023.db2.gz GCEMBDDJKYCSOJ-UHFFFAOYSA-N -1 3 303.402 2.818 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436967809 297048542 /nfs/dbraw/zinc/04/85/42/297048542.db2.gz ZEXNGMQQEHLXQY-OCCSQVGLSA-N -1 3 320.433 2.761 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H](O)C(C)(C)C)c([O-])c1 ZINC000436983840 297049758 /nfs/dbraw/zinc/04/97/58/297049758.db2.gz DKRGGVYAPYARHD-HNNXBMFYSA-N -1 3 309.406 2.708 20 0 DFADHM O=C(NCCc1ccccc1O)c1ccc2c(c1[O-])CCCC2 ZINC000436975842 297049165 /nfs/dbraw/zinc/04/91/65/297049165.db2.gz NKXMBXDYYZQTFM-UHFFFAOYSA-N -1 3 311.381 2.949 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@@H]2COCC[C@@H]21 ZINC000436975619 297049220 /nfs/dbraw/zinc/04/92/20/297049220.db2.gz LSLDVQUEEAOMOF-PBHICJAKSA-N -1 3 315.413 2.912 20 0 DFADHM CCC[C@H](CCO)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436976224 297049367 /nfs/dbraw/zinc/04/93/67/297049367.db2.gz OSLDRALNKRVHIY-CYBMUJFWSA-N -1 3 305.418 2.800 20 0 DFADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)[C@H]1CCCCO1 ZINC000436981806 297049784 /nfs/dbraw/zinc/04/97/84/297049784.db2.gz VFMZYZWMHGYVKN-MLGOLLRUSA-N -1 3 303.402 2.958 20 0 DFADHM CC[C@]1(C)COCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436981958 297049794 /nfs/dbraw/zinc/04/97/94/297049794.db2.gz WDMJSRWSWREKGO-GOSISDBHSA-N 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CCc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1[O-] ZINC000154002144 295290045 /nfs/dbraw/zinc/29/00/45/295290045.db2.gz XTECYBMVDUGDTB-IMJJTQAJSA-N -1 3 301.386 2.642 20 0 DFADHM CCC[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)C(C)C ZINC000154724073 295305794 /nfs/dbraw/zinc/30/57/94/295305794.db2.gz GVPHGGPJRPJKFZ-AWEZNQCLSA-N -1 3 301.394 2.801 20 0 DFADHM CCC[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)C(C)C ZINC000154724073 295305796 /nfs/dbraw/zinc/30/57/96/295305796.db2.gz GVPHGGPJRPJKFZ-AWEZNQCLSA-N -1 3 301.394 2.801 20 0 DFADHM COC(=O)c1[nH]c(C)c(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000155724275 295323831 /nfs/dbraw/zinc/32/38/31/295323831.db2.gz TWZWWUMRBRQSMX-UHFFFAOYSA-N -1 3 306.293 2.515 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C)C1 ZINC000155785021 295325483 /nfs/dbraw/zinc/32/54/83/295325483.db2.gz XFILCBQKZQMPND-QWRGUYRKSA-N -1 3 303.449 2.861 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C ZINC000155924906 295328202 /nfs/dbraw/zinc/32/82/02/295328202.db2.gz 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O=C(Nc1n[n-]c(-c2ccccn2)n1)C1(c2ccccc2)CC1 ZINC000439016128 297112048 /nfs/dbraw/zinc/11/20/48/297112048.db2.gz BVEBYHYUZOZVRC-UHFFFAOYSA-N -1 3 305.341 2.537 20 0 DFADHM CCCC[C@@H](CCC)CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000440823090 297166494 /nfs/dbraw/zinc/16/64/94/297166494.db2.gz CYFINLFZPLYOJJ-GFCCVEGCSA-N -1 3 316.401 2.907 20 0 DFADHM CC(C)(CC(=O)Nc1ccncc1[O-])CC(=O)c1ccccc1 ZINC000442640862 297198876 /nfs/dbraw/zinc/19/88/76/297198876.db2.gz CJCIDDJCHNGPDG-UHFFFAOYSA-N -1 3 312.369 2.837 20 0 DFADHM COc1cc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)ccc1[O-] ZINC000442652028 297199102 /nfs/dbraw/zinc/19/91/02/297199102.db2.gz RAHFAACPNSQNKM-KBPBESRZSA-N -1 3 301.317 2.826 20 0 DFADHM COc1cc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)ccc1[O-] ZINC000442672305 297200255 /nfs/dbraw/zinc/20/02/55/297200255.db2.gz NODKMNNDEWKOBF-UONOGXRCSA-N -1 3 315.373 2.511 20 0 DFADHM CCOCCC1(CNC(=O)c2ccc([O-])c(OC)c2)CCC1 ZINC000442675061 297200695 /nfs/dbraw/zinc/20/06/95/297200695.db2.gz XPVGZRGMQIPUEE-UHFFFAOYSA-N 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ZINC000530263053 301036279 /nfs/dbraw/zinc/03/62/79/301036279.db2.gz INMUGZJERGYGAX-LLVKDONJSA-N -1 3 324.331 2.894 20 0 DFADHM COC(=O)c1cncnc1/C=C/c1cc(Cl)c([O-])c(OC)c1 ZINC000530341384 301041833 /nfs/dbraw/zinc/04/18/33/301041833.db2.gz VXRJEQPJUGUZFV-ONEGZZNKSA-N -1 3 320.732 2.801 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])C1CCC(=O)CC1 ZINC000530573061 301057234 /nfs/dbraw/zinc/05/72/34/301057234.db2.gz OKYISIBVVKDEFW-UHFFFAOYSA-N -1 3 312.163 2.853 20 0 DFADHM CC(C)c1ccccc1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000530897729 301070888 /nfs/dbraw/zinc/07/08/88/301070888.db2.gz AWNZAKYVFBQOEB-UHFFFAOYSA-N -1 3 312.369 2.884 20 0 DFADHM CCc1cccc(C(=O)NCCn2cnc3ccccc32)c1[O-] ZINC000531193738 301084611 /nfs/dbraw/zinc/08/46/11/301084611.db2.gz HGUDWKLCWHOIBN-UHFFFAOYSA-N -1 3 309.369 2.734 20 0 DFADHM Cc1cc(C(=O)N2CCCCC[C@@H]2c2ncon2)ccc1[O-] ZINC000276282901 301088277 /nfs/dbraw/zinc/08/82/77/301088277.db2.gz UMSZJQPNAIUSRC-CYBMUJFWSA-N -1 3 301.346 2.841 20 0 DFADHM COC(=O)c1csc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000531756617 301108340 /nfs/dbraw/zinc/10/83/40/301108340.db2.gz NKHLBYCYDQJHTC-UHFFFAOYSA-N -1 3 307.327 2.501 20 0 DFADHM CCn1nc(C)c(CNC(=O)Cc2ccc([O-])cc2Cl)c1C ZINC000531766872 301109338 /nfs/dbraw/zinc/10/93/38/301109338.db2.gz JQUURGVKCZPDRA-UHFFFAOYSA-N -1 3 321.808 2.738 20 0 DFADHM CCc1cccc(C(=O)NCCOc2ncccc2Cl)c1[O-] ZINC000531872193 301116165 /nfs/dbraw/zinc/11/61/65/301116165.db2.gz PXPFYEJUUCVWQF-UHFFFAOYSA-N -1 3 320.776 2.812 20 0 DFADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CC12CCCCC2 ZINC000532162929 301134228 /nfs/dbraw/zinc/13/42/28/301134228.db2.gz WOQDDKIIDTZIOM-LBPRGKRZSA-N -1 3 322.430 2.967 20 0 DFADHM COc1ccc(CNC(=O)c2cccc(OC)c2[O-])c(C)c1 ZINC000532266296 301141041 /nfs/dbraw/zinc/14/10/41/301141041.db2.gz FPAPSRTUHAYIFZ-UHFFFAOYSA-N -1 3 301.342 2.648 20 0 DFADHM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000532333309 301145499 /nfs/dbraw/zinc/14/54/99/301145499.db2.gz GDENBNZECUZJLE-SJCJKPOMSA-N -1 3 310.397 2.758 20 0 DFADHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000532333310 301145851 /nfs/dbraw/zinc/14/58/51/301145851.db2.gz GDENBNZECUZJLE-SJKOYZFVSA-N -1 3 310.397 2.758 20 0 DFADHM CCc1cccc(C(=O)NC[C@H](CO)Cc2ccccc2)c1[O-] ZINC000532381901 301148774 /nfs/dbraw/zinc/14/87/74/301148774.db2.gz ZIEFQGQPXOUYRC-OAHLLOKOSA-N -1 3 313.397 2.536 20 0 DFADHM CCc1cccc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c1[O-] ZINC000532530480 301158737 /nfs/dbraw/zinc/15/87/37/301158737.db2.gz MBKARUFVLSMEBI-CQSZACIVSA-N -1 3 324.380 2.810 20 0 DFADHM Cc1nnccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000532799316 301173311 /nfs/dbraw/zinc/17/33/11/301173311.db2.gz JNOKCHFRMTVWGF-UHFFFAOYSA-N -1 3 308.135 2.505 20 0 DFADHM O=C(Cc1cccnc1)Nc1ccc(Br)cc1[O-] ZINC000533218554 301191875 /nfs/dbraw/zinc/19/18/75/301191875.db2.gz REESCSNHDCBGLM-UHFFFAOYSA-N -1 3 307.147 2.731 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000533120685 301188106 /nfs/dbraw/zinc/18/81/06/301188106.db2.gz BYZOAMZDMZXXMU-YPMHNXCESA-N -1 3 323.418 2.659 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(C)C)s1 ZINC000533632054 301209880 /nfs/dbraw/zinc/20/98/80/301209880.db2.gz VVLGXYNAXUUCHK-RYUDHWBXSA-N -1 3 302.465 2.945 20 0 DFADHM C[C@@](O)(CC(=O)Nc1ccc(Br)cc1[O-])C1CC1 ZINC000535139504 301250059 /nfs/dbraw/zinc/25/00/59/301250059.db2.gz ZHDALHTWYORRGI-CYBMUJFWSA-N -1 3 314.179 2.644 20 0 DFADHM O=C(NCc1cc2c(s1)CCCC2)c1c([O-])cccc1O ZINC000535838908 301263665 /nfs/dbraw/zinc/26/36/65/301263665.db2.gz KWTBDXSQFDIOLD-UHFFFAOYSA-N -1 3 303.383 2.968 20 0 DFADHM Cn1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(C(F)F)n1 ZINC000535888552 301264644 /nfs/dbraw/zinc/26/46/44/301264644.db2.gz LBXAFEKAMBZUQS-UHFFFAOYSA-N -1 3 301.680 2.969 20 0 DFADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])ncn1 ZINC000536211855 301269838 /nfs/dbraw/zinc/26/98/38/301269838.db2.gz AGKLQQQHMSQMAX-UHFFFAOYSA-N -1 3 308.135 2.505 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C2CC2)c1 ZINC000536552615 301278786 /nfs/dbraw/zinc/27/87/86/301278786.db2.gz DNWMZZGHTGHMEB-UHFFFAOYSA-N -1 3 303.811 2.816 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCN3CCOc4cccc2c43)c1 ZINC000536637311 301284430 /nfs/dbraw/zinc/28/44/30/301284430.db2.gz ZXFJKBMWXLUEFS-UHFFFAOYSA-N -1 3 324.380 2.814 20 0 DFADHM CCc1cccc(C(=O)Nc2cc(C(=O)NC)ccc2C)c1[O-] ZINC000536693381 301287824 /nfs/dbraw/zinc/28/78/24/301287824.db2.gz PULFCNYTANYXPU-UHFFFAOYSA-N -1 3 312.369 2.875 20 0 DFADHM COc1ccc(C(=O)N(Cc2ccccn2)C(C)C)c([O-])c1 ZINC000536686933 301287973 /nfs/dbraw/zinc/28/79/73/301287973.db2.gz LWAMOAUBBPBCPC-UHFFFAOYSA-N -1 3 300.358 2.847 20 0 DFADHM CC1(C[N-]S(=O)(=O)c2ccccc2F)Cc2ccccc2C1 ZINC000537655706 301307627 /nfs/dbraw/zinc/30/76/27/301307627.db2.gz GBQXUJUDEOOLCX-UHFFFAOYSA-N -1 3 319.401 2.909 20 0 DFADHM Cc1ccc(C(=O)Nc2cnn(-c3ccccn3)c2)c([O-])c1C ZINC000537658226 301307980 /nfs/dbraw/zinc/30/79/80/301307980.db2.gz AXBQKRANBOOMMF-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM C[C@H]1CCCC[C@H]1OCC(=O)[N-]c1nncn1-c1ccccc1 ZINC000537756084 301310618 /nfs/dbraw/zinc/31/06/18/301310618.db2.gz PXKYMTRSRCIFLD-DZGCQCFKSA-N -1 3 314.389 2.801 20 0 DFADHM CCOC(=O)CC(C)(C)N(C)C(=O)c1cccc(CC)c1[O-] ZINC000538816757 301332217 /nfs/dbraw/zinc/33/22/17/301332217.db2.gz ARTQAQCTHARMKK-UHFFFAOYSA-N -1 3 307.390 2.758 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 ZINC000539848669 301351994 /nfs/dbraw/zinc/35/19/94/301351994.db2.gz XBBGWQSPBJFVMP-UHFFFAOYSA-N -1 3 318.760 2.959 20 0 DFADHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@@H]1CC=CCC1)c2=O ZINC000540529731 301365008 /nfs/dbraw/zinc/36/50/08/301365008.db2.gz KUCKELMVWZEIPU-SNVBAGLBSA-N -1 3 316.332 2.514 20 0 DFADHM O=C(NCC=Cc1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000540886544 301372239 /nfs/dbraw/zinc/37/22/39/301372239.db2.gz RKTJAGOYSNXJGK-RMKNXTFCSA-N -1 3 304.349 2.971 20 0 DFADHM O=C(NCC=Cc1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000540886549 301372464 /nfs/dbraw/zinc/37/24/64/301372464.db2.gz RKTJAGOYSNXJGK-TWGQIWQCSA-N -1 3 304.349 2.971 20 0 DFADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000540960782 301378538 /nfs/dbraw/zinc/37/85/38/301378538.db2.gz BKPUBAHJHBRLBL-SNVBAGLBSA-N -1 3 301.317 2.996 20 0 DFADHM COc1ccc2c(c1)CCCN(C(=O)c1ccc(O)cc1[O-])C2 ZINC000540958851 301378596 /nfs/dbraw/zinc/37/85/96/301378596.db2.gz BYOFFJDHVASILD-UHFFFAOYSA-N -1 3 313.353 2.695 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@@H](O)CCc2ccccc2)c1 ZINC000541526489 301388862 /nfs/dbraw/zinc/38/88/62/301388862.db2.gz ITEGNNDXJCSXDV-INIZCTEOSA-N -1 3 313.397 2.678 20 0 DFADHM C[C@@]1(C(=O)Nc2ccc(Br)cc2[O-])CCCOC1 ZINC000543757171 301437722 /nfs/dbraw/zinc/43/77/22/301437722.db2.gz NMYATUNHVSPFGI-CYBMUJFWSA-N -1 3 314.179 2.910 20 0 DFADHM Cc1ncc(CNC(=O)N[C@H]2CCC[C@H](C(C)C)CC2)c(=O)[n-]1 ZINC000546715734 301509907 /nfs/dbraw/zinc/50/99/07/301509907.db2.gz IWJDZNXSYAQCMQ-ZFWWWQNUSA-N -1 3 320.437 2.895 20 0 DFADHM COc1ccc(CNc2cnn(C)c2)c(Br)c1[O-] ZINC000546906494 301515776 /nfs/dbraw/zinc/51/57/76/301515776.db2.gz WNSXXNVGWSLXDX-UHFFFAOYSA-N -1 3 312.167 2.509 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(-c2noc([C@H]3C[C@H]3C3CC3)n2)cc1 ZINC000547045005 301517913 /nfs/dbraw/zinc/51/79/13/301517913.db2.gz SGUIHLFMCXVJMW-STQMWFEESA-N -1 3 319.386 2.622 20 0 DFADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(C)ncc1C ZINC000548992581 301625765 /nfs/dbraw/zinc/62/57/65/301625765.db2.gz ZYNCVKJENVKGCQ-UHFFFAOYSA-N -1 3 320.414 2.547 20 0 DFADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000549863475 301642262 /nfs/dbraw/zinc/64/22/62/301642262.db2.gz JBPJGRMAJMCZCW-UHFFFAOYSA-N -1 3 320.370 2.770 20 0 DFADHM Cc1ccc([O-])c(C(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000295740298 301650272 /nfs/dbraw/zinc/65/02/72/301650272.db2.gz AIBBOKGDAAMBCO-UHFFFAOYSA-N -1 3 324.380 2.604 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2cc(C(C)C)nn2C)c1[O-] ZINC000552286367 301688531 /nfs/dbraw/zinc/68/85/31/301688531.db2.gz NXMRTPFJSLQUOM-UHFFFAOYSA-N -1 3 301.346 2.704 20 0 DFADHM Cn1c(=O)c2ccccc2cc1C(=O)Nc1cccc([O-])c1F ZINC000552393877 301691174 /nfs/dbraw/zinc/69/11/74/301691174.db2.gz QQEGTDKYJQRQBH-UHFFFAOYSA-N -1 3 312.300 2.636 20 0 DFADHM O=C(NCCc1ccc(Cl)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000552802078 301698313 /nfs/dbraw/zinc/69/83/13/301698313.db2.gz XUHGMYOGFYBUJC-UHFFFAOYSA-N -1 3 317.776 2.686 20 0 DFADHM COc1ccc2nc(NC(=O)Cc3cncc([O-])c3)sc2c1 ZINC000552881580 301699227 /nfs/dbraw/zinc/69/92/27/301699227.db2.gz DVVBVOYVVRTBIG-UHFFFAOYSA-N -1 3 315.354 2.587 20 0 DFADHM CCn1cc(CC(=O)Nc2cc(C(F)(F)F)ccc2[O-])cn1 ZINC000554523721 301741425 /nfs/dbraw/zinc/74/14/25/301741425.db2.gz RAHRDJBIFILGOS-UHFFFAOYSA-N -1 3 313.279 2.809 20 0 DFADHM O=C(c1ccccc1[O-])N1CCC(F)(c2ccccn2)CC1 ZINC000556825437 301813593 /nfs/dbraw/zinc/81/35/93/301813593.db2.gz LMBFLRTWHNYVOI-UHFFFAOYSA-N -1 3 300.333 2.888 20 0 DFADHM COC(=O)Cc1ccccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000556967451 301822688 /nfs/dbraw/zinc/82/26/88/301822688.db2.gz LQAXEPFHTSFWFY-UHFFFAOYSA-N -1 3 313.353 2.977 20 0 DFADHM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cccc(C(C)=O)c2[O-])C1 ZINC000560549295 301903961 /nfs/dbraw/zinc/90/39/61/301903961.db2.gz CHAZCXGATDGWBP-NEPJUHHUSA-N -1 3 319.357 2.513 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2cnn(CC(C)C)c2)c1[O-] ZINC000560551022 301904020 /nfs/dbraw/zinc/90/40/20/301904020.db2.gz BDXLTCLNPPXCLZ-UHFFFAOYSA-N -1 3 301.346 2.700 20 0 DFADHM Cc1cnc(COCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)o1 ZINC000561321739 301932677 /nfs/dbraw/zinc/93/26/77/301932677.db2.gz POZKWTLJIPMEEQ-LLVKDONJSA-N -1 3 316.357 2.746 20 0 DFADHM O=C([O-])[C@@H](Cc1ccc(F)cc1)NCc1ccc(F)cc1F ZINC000562924220 302013053 /nfs/dbraw/zinc/01/30/53/302013053.db2.gz KUNOURORXRMHSF-OAHLLOKOSA-N -1 3 309.287 2.889 20 0 DFADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1nc2c(s1)CCC2 ZINC000563106735 302038076 /nfs/dbraw/zinc/03/80/76/302038076.db2.gz VIBHJRGVDLVPLZ-VIFPVBQESA-N -1 3 316.430 2.856 20 0 DFADHM Cc1cnccc1OC1CCN(c2ccncc2C(=O)[O-])CC1 ZINC000563203952 302048795 /nfs/dbraw/zinc/04/87/95/302048795.db2.gz GPYPVGZPHVXJNK-UHFFFAOYSA-N -1 3 313.357 2.531 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000563287657 302058861 /nfs/dbraw/zinc/05/88/61/302058861.db2.gz AILWAEPWAJOWLY-MEDUHNTESA-N -1 3 313.344 2.839 20 0 DFADHM CCCOc1cccc(CN2CCC(COC)(C(=O)[O-])CC2)c1 ZINC000563289398 302059345 /nfs/dbraw/zinc/05/93/45/302059345.db2.gz SSEXEGWBBAWISD-UHFFFAOYSA-N -1 3 321.417 2.789 20 0 DFADHM Cc1ccccc1[C@]1(F)CCN(C(=O)Cc2cncc([O-])c2)C1 ZINC000563413344 302069622 /nfs/dbraw/zinc/06/96/22/302069622.db2.gz NIVWMRDYRDYDAZ-SFHVURJKSA-N -1 3 314.360 2.735 20 0 DFADHM CO[C@H]1CCN(Cc2ccccc2OC(C)C)[C@@H](C(=O)[O-])C1 ZINC000563454894 302074997 /nfs/dbraw/zinc/07/49/97/302074997.db2.gz IMQKKVRUZJLGRU-LSDHHAIUSA-N -1 3 307.390 2.538 20 0 DFADHM CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)C1CCC(F)(F)CC1 ZINC000563546744 302082137 /nfs/dbraw/zinc/08/21/37/302082137.db2.gz BHUCTNOJIRBXHX-UHFFFAOYSA-N -1 3 311.332 2.710 20 0 DFADHM O=C(N[C@H]1CSc2ccccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563727581 302095768 /nfs/dbraw/zinc/09/57/68/302095768.db2.gz 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ZINC000182756319 316116922 /nfs/dbraw/zinc/11/69/22/316116922.db2.gz IKIVPCYSXLXXMY-UHFFFAOYSA-N -1 3 308.385 2.974 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H](c2ccccc2)C2CC2)n[n-]1 ZINC000183288982 316136633 /nfs/dbraw/zinc/13/66/33/316136633.db2.gz DKPWVTDDDDBVSR-HNNXBMFYSA-N -1 3 313.357 2.719 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H](c2ccccc2)C2CC2)[n-]n1 ZINC000183288982 316136638 /nfs/dbraw/zinc/13/66/38/316136638.db2.gz DKPWVTDDDDBVSR-HNNXBMFYSA-N -1 3 313.357 2.719 20 0 DFADHM CCCc1c([N-]S(=O)(=O)C2CC2)cnn1-c1cccc(F)c1 ZINC000185642364 316189277 /nfs/dbraw/zinc/18/92/77/316189277.db2.gz YUHOTLYSSZHEDN-UHFFFAOYSA-N -1 3 323.393 2.868 20 0 DFADHM COc1ccc(C(C)(C)CNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000187604456 316212219 /nfs/dbraw/zinc/21/22/19/316212219.db2.gz OWGWCDNVSUCVOE-UHFFFAOYSA-N -1 3 324.384 2.674 20 0 DFADHM COc1ccc(C(C)(C)CNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000187604456 316212222 /nfs/dbraw/zinc/21/22/22/316212222.db2.gz OWGWCDNVSUCVOE-UHFFFAOYSA-N -1 3 324.384 2.674 20 0 DFADHM COc1ccc(C(C)(C)CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187604456 316212223 /nfs/dbraw/zinc/21/22/23/316212223.db2.gz OWGWCDNVSUCVOE-UHFFFAOYSA-N -1 3 324.384 2.674 20 0 DFADHM C[C@@H](CNC(=O)c1cccc2nn[n-]c21)c1ccc(F)cc1F ZINC000188215632 316218550 /nfs/dbraw/zinc/21/85/50/316218550.db2.gz GVSYNOHCFIBYEG-VIFPVBQESA-N -1 3 316.311 2.770 20 0 DFADHM C[C@@H](CNC(=O)c1cccc2[n-]nnc21)c1ccc(F)cc1F ZINC000188215632 316218553 /nfs/dbraw/zinc/21/85/53/316218553.db2.gz GVSYNOHCFIBYEG-VIFPVBQESA-N -1 3 316.311 2.770 20 0 DFADHM C[C@@H](CNC(=O)c1cccc2n[n-]nc21)c1ccc(F)cc1F ZINC000188215632 316218556 /nfs/dbraw/zinc/21/85/56/316218556.db2.gz GVSYNOHCFIBYEG-VIFPVBQESA-N -1 3 316.311 2.770 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc2[n-]nnc21 ZINC000188329835 316220304 /nfs/dbraw/zinc/22/03/04/316220304.db2.gz UQNYYQXERSREOK-JSGCOSHPSA-N -1 3 306.369 2.976 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc2nn[n-]c21 ZINC000188329835 316220306 /nfs/dbraw/zinc/22/03/06/316220306.db2.gz UQNYYQXERSREOK-JSGCOSHPSA-N -1 3 306.369 2.976 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc2n[n-]nc21 ZINC000188329835 316220308 /nfs/dbraw/zinc/22/03/08/316220308.db2.gz UQNYYQXERSREOK-JSGCOSHPSA-N -1 3 306.369 2.976 20 0 DFADHM COCc1ccc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000316228621 316245383 /nfs/dbraw/zinc/24/53/83/316245383.db2.gz SJDBIFBRIOGSMX-CQSZACIVSA-N -1 3 317.307 2.672 20 0 DFADHM O=C([O-])CCc1cccc(NC(=O)[C@H]2CNCc3ccccc32)c1 ZINC000325509296 316262430 /nfs/dbraw/zinc/26/24/30/316262430.db2.gz NPOOJTQAIQJKKM-KRWDZBQOSA-N -1 3 324.380 2.529 20 0 DFADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(=O)[n-]1 ZINC000332917646 316288293 /nfs/dbraw/zinc/28/82/93/316288293.db2.gz ZBFKBMRFBIBPPO-QLFBSQMISA-N -1 3 317.433 2.817 20 0 DFADHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)[C@H]2Cc3ccccc3O2)n1 ZINC000336874766 316300061 /nfs/dbraw/zinc/30/00/61/316300061.db2.gz YEJYQCFRDCHZRQ-MLGOLLRUSA-N -1 3 313.401 2.569 20 0 DFADHM CC[C@@H](C)n1nc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1C ZINC000348709195 316328165 /nfs/dbraw/zinc/32/81/65/316328165.db2.gz VLHCVKXYWJLWCM-APPZFPTMSA-N -1 3 318.299 2.540 20 0 DFADHM c1ccc(COCc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000350476058 316392356 /nfs/dbraw/zinc/39/23/56/316392356.db2.gz FABSQJJSMZLUQA-UHFFFAOYSA-N -1 3 307.313 2.725 20 0 DFADHM COCCC1(c2nc(-c3ccc4n[n-]nc4c3)no2)CCCC1 ZINC000350488481 316392391 /nfs/dbraw/zinc/39/23/91/316392391.db2.gz RKIVPZLDAMNMNF-UHFFFAOYSA-N -1 3 313.361 2.856 20 0 DFADHM CCOc1ccccc1-c1noc(-c2ccc(C(=O)OC)[n-]2)n1 ZINC000350511139 316394631 /nfs/dbraw/zinc/39/46/31/316394631.db2.gz NSSITKKALPGQHM-UHFFFAOYSA-N -1 3 313.313 2.917 20 0 DFADHM COc1cc(-c2nc([C@@](C)(OC)C3CC3)no2)cc(OC)c1[O-] ZINC000350567005 316403517 /nfs/dbraw/zinc/40/35/17/316403517.db2.gz KZDUQPMXFAPGJW-INIZCTEOSA-N -1 3 320.345 2.731 20 0 DFADHM Cc1cccc(-c2nc(-c3ccc(NC(N)=O)cc3)no2)c1[O-] ZINC000350569378 316403902 /nfs/dbraw/zinc/40/39/02/316403902.db2.gz LFFDHPFNQPFGIQ-UHFFFAOYSA-N -1 3 310.313 2.908 20 0 DFADHM [O-]c1ccc(-c2noc(-c3ccc(-n4cncn4)cc3)n2)cc1 ZINC000350567564 316403988 /nfs/dbraw/zinc/40/39/88/316403988.db2.gz HTIVKLMSTANRDX-UHFFFAOYSA-N -1 3 305.297 2.690 20 0 DFADHM CCc1nc(-c2nc(-c3ccc([O-])c(OC)c3)no2)c(C)o1 ZINC000350569673 316404904 /nfs/dbraw/zinc/40/49/04/316404904.db2.gz AASHFHWFQYCDDC-UHFFFAOYSA-N -1 3 301.302 2.977 20 0 DFADHM COc1cc(-c2nc(-c3ccc(O)cc3)no2)cc(OC)c1[O-] ZINC000350571713 316405196 /nfs/dbraw/zinc/40/51/96/316405196.db2.gz DHTBAWPQMVGRBT-UHFFFAOYSA-N -1 3 314.297 2.832 20 0 DFADHM COc1cc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)cc(OC)c1[O-] ZINC000350581044 316407360 /nfs/dbraw/zinc/40/73/60/316407360.db2.gz MERRGTJWVDMMRV-VHSXEESVSA-N -1 3 320.345 2.742 20 0 DFADHM COCCOc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccn1 ZINC000350585689 316408248 /nfs/dbraw/zinc/40/82/48/316408248.db2.gz UPVAXFGQZWPUFF-UHFFFAOYSA-N -1 3 313.313 2.529 20 0 DFADHM O=C1Cc2cc(-c3noc(/C=C/c4cncc([O-])c4)n3)ccc2N1 ZINC000350632887 316415111 /nfs/dbraw/zinc/41/51/11/316415111.db2.gz AANPZSCEEVWYJV-DAFODLJHSA-N -1 3 320.308 2.502 20 0 DFADHM CCOc1cc(-c2noc([C@@H]3C[C@H]4CC(=O)[C@@H]3C4)n2)ccc1[O-] ZINC000351214571 316490161 /nfs/dbraw/zinc/49/01/61/316490161.db2.gz HTHTXWYSVSVYBD-MVWJERBFSA-N -1 3 314.341 2.924 20 0 DFADHM CC1CC([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000353533870 316535626 /nfs/dbraw/zinc/53/56/26/316535626.db2.gz JBRGBWVVHPHZBU-UHFFFAOYSA-N -1 3 308.428 2.887 20 0 DFADHM CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CC1(C)C ZINC000417130120 316670190 /nfs/dbraw/zinc/67/01/90/316670190.db2.gz ASWBNTBETINDLB-STQMWFEESA-N -1 3 315.373 2.516 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)[C@]12C[C@H]1CCC2 ZINC000421788750 316764587 /nfs/dbraw/zinc/76/45/87/316764587.db2.gz YLLKFVZKPMRWHX-QMTHXVAHSA-N -1 3 310.191 2.961 20 0 DFADHM CCOc1cccc(CNC[C@]2(CC(=O)[O-])CC[C@@H](C)C2)n1 ZINC000426630009 316820853 /nfs/dbraw/zinc/82/08/53/316820853.db2.gz SNOGHVCAYXEBNO-CXAGYDPISA-N -1 3 306.406 2.851 20 0 DFADHM Cc1cnn(C[C@@H](NCc2csc3ccccc23)C(=O)[O-])c1 ZINC000426763060 316824830 /nfs/dbraw/zinc/82/48/30/316824830.db2.gz PMQQAZIZMCETKY-CQSZACIVSA-N -1 3 315.398 2.649 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC000427136528 316835337 /nfs/dbraw/zinc/83/53/37/316835337.db2.gz KUHWDUDNDFEOBD-MRVPVSSYSA-N -1 3 321.764 2.667 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1csc2ccccc12 ZINC000427138757 316835442 /nfs/dbraw/zinc/83/54/42/316835442.db2.gz YPSXAPKQGPWLFT-UHFFFAOYSA-N -1 3 315.354 2.592 20 0 DFADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442809146 316943731 /nfs/dbraw/zinc/94/37/31/316943731.db2.gz JLFMFGJBCJGZHN-VIFPVBQESA-N -1 3 310.341 2.957 20 0 DFADHM CO[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C(C)C ZINC000442930322 316947689 /nfs/dbraw/zinc/94/76/89/316947689.db2.gz HVBYRPMDFVRTAN-LLVKDONJSA-N -1 3 307.268 2.900 20 0 DFADHM CC(=O)Nc1ccccc1CC(=O)Nc1ccc([O-])cc1F ZINC000444349502 316977810 /nfs/dbraw/zinc/97/78/10/316977810.db2.gz DTPALEDEZWOTPC-UHFFFAOYSA-N -1 3 302.305 2.671 20 0 DFADHM COC(=O)c1ccc(NC(=O)c2ccc(C)cc2[O-])c(OC)c1 ZINC000444377812 316980184 /nfs/dbraw/zinc/98/01/84/316980184.db2.gz YCTJUIUXEOLHRY-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM CCOc1cc(-c2noc(/C=C\c3cnccn3)n2)ccc1[O-] ZINC000445417554 316990207 /nfs/dbraw/zinc/99/02/07/316990207.db2.gz KGOFEDBHIPDPDV-XQRVVYSFSA-N -1 3 310.313 2.801 20 0 DFADHM COc1ccccc1CCN(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448906694 317027000 /nfs/dbraw/zinc/02/70/00/317027000.db2.gz DVQLKBUDQUKERD-UHFFFAOYSA-N -1 3 317.360 2.784 20 0 DFADHM O=c1[n-]nc(C2CCN(c3nc4cccc(F)c4s3)CC2)o1 ZINC000450498594 317098682 /nfs/dbraw/zinc/09/86/82/317098682.db2.gz HLMYQTHYGWTOBA-UHFFFAOYSA-N -1 3 320.349 2.908 20 0 DFADHM COc1cccc2c1CCN(C(=O)Cc1ccc([O-])c(F)c1)C2 ZINC000450527442 317107778 /nfs/dbraw/zinc/10/77/78/317107778.db2.gz KTKBKMKSQBUBSC-UHFFFAOYSA-N -1 3 315.344 2.667 20 0 DFADHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC000451460787 317115961 /nfs/dbraw/zinc/11/59/61/317115961.db2.gz ZHDURXKGAIDTFE-OLZOCXBDSA-N -1 3 323.389 2.825 20 0 DFADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2C[C@H](OC)C23CCC3)c1 ZINC000456652940 317239651 /nfs/dbraw/zinc/23/96/51/317239651.db2.gz RNNUEKPQYQTJIT-HOTGVXAUSA-N -1 3 303.402 2.984 20 0 DFADHM Cc1ccc(C(=O)N2CCC(OCCOC(C)C)CC2)c([O-])c1 ZINC000456813447 317254601 /nfs/dbraw/zinc/25/46/01/317254601.db2.gz YEVVDNWTBFAPRI-UHFFFAOYSA-N -1 3 321.417 2.747 20 0 DFADHM CC[C@H]1CO[C@H](C)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459301843 317315045 /nfs/dbraw/zinc/31/50/45/317315045.db2.gz NCLKAPPYVSEPKM-CJNGLKHVSA-N -1 3 313.401 2.849 20 0 DFADHM CN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)C[C@H]1CCCCO1 ZINC000459301963 317315897 /nfs/dbraw/zinc/31/58/97/317315897.db2.gz LRXWEHVUXKUODQ-MRXNPFEDSA-N -1 3 313.401 2.850 20 0 DFADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)Cc1ccc(F)cc1F ZINC000459309976 317317562 /nfs/dbraw/zinc/31/75/62/317317562.db2.gz LUQRABRRXTWCFT-UHFFFAOYSA-N -1 3 305.328 2.970 20 0 DFADHM C[C@H](O)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459338356 317320613 /nfs/dbraw/zinc/32/06/13/317320613.db2.gz MFBRWPJJKVBPJA-JTQLQIEISA-N -1 3 314.223 2.748 20 0 DFADHM [O-]c1cccc(CN2CC[C@](O)(C3CC3)C2)c1Br ZINC000459504080 317325995 /nfs/dbraw/zinc/32/59/95/317325995.db2.gz FMNQLZRBENIYHK-CQSZACIVSA-N -1 3 312.207 2.502 20 0 DFADHM Cc1nnc(SCC(=O)Nc2ccccc2[O-])n1C(C)C ZINC000488274038 317380474 /nfs/dbraw/zinc/38/04/74/317380474.db2.gz GMFODDKNXHCSPW-UHFFFAOYSA-N -1 3 306.391 2.604 20 0 DFADHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)OC ZINC000490514981 317522375 /nfs/dbraw/zinc/52/23/75/317522375.db2.gz TWHKOSYSWYVQOI-UHFFFAOYSA-N -1 3 323.817 2.963 20 0 DFADHM COc1ccc(NC(=O)/C=C\c2ccc(OC)c(O)c2)c([O-])c1 ZINC000491968488 317623113 /nfs/dbraw/zinc/62/31/13/317623113.db2.gz XYEBHLYFXQSDJZ-YWEYNIOJSA-N -1 3 315.325 2.767 20 0 DFADHM CCc1nc(CN(C)C(=O)NCc2ccc([O-])c(F)c2)cs1 ZINC000523512358 317720773 /nfs/dbraw/zinc/72/07/73/317720773.db2.gz XSWOGTIIFHJTME-UHFFFAOYSA-N -1 3 323.393 2.892 20 0 DFADHM O=C(NCc1ncccc1[O-])c1ccc([C@@H]2CCCOC2)cc1 ZINC000525948593 317734484 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Cc1cccc2c(=O)c(C(=O)N3CC[C@H](C)[C@H](F)C3)c[n-]c12 ZINC000681537944 545667888 /nfs/dbraw/zinc/66/78/88/545667888.db2.gz WIUOBAWTAVSYNV-IINYFYTJSA-N -1 3 302.349 2.657 20 0 DFADHM Cc1ccc(CCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc1Cl ZINC000681734366 545710527 /nfs/dbraw/zinc/71/05/27/545710527.db2.gz WWLZOPGPQTXWNZ-UHFFFAOYSA-N -1 3 321.764 2.729 20 0 DFADHM CCc1cc([N-]C(=O)c2cn(-c3cccc(Cl)c3)nn2)no1 ZINC000682002973 545772365 /nfs/dbraw/zinc/77/23/65/545772365.db2.gz ZSEIMSABPRUWIA-UHFFFAOYSA-N -1 3 317.736 2.723 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H](Oc2ccccc2)C1 ZINC000682158705 545806865 /nfs/dbraw/zinc/80/68/65/545806865.db2.gz HRJCZTABGWYICG-AWEZNQCLSA-N -1 3 322.368 2.642 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H](Oc2ccccc2)C1 ZINC000682158705 545806869 /nfs/dbraw/zinc/80/68/69/545806869.db2.gz HRJCZTABGWYICG-AWEZNQCLSA-N -1 3 322.368 2.642 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H](Oc2ccccc2)C1 ZINC000682158705 545806875 /nfs/dbraw/zinc/80/68/75/545806875.db2.gz 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/nfs/dbraw/zinc/96/99/55/545969955.db2.gz PNGLPXODNVUJJL-LBPRGKRZSA-N -1 3 323.336 2.935 20 0 DFADHM CC[C@H](CN1CCCC1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683621772 546069994 /nfs/dbraw/zinc/06/99/94/546069994.db2.gz FUUSLWPSMFUBEY-LLVKDONJSA-N -1 3 314.788 2.789 20 0 DFADHM O=c1[n-]nc(S[C@@H]2CCc3ccccc32)n1C[C@@H]1CCCO1 ZINC000683737622 546084797 /nfs/dbraw/zinc/08/47/97/546084797.db2.gz RKNRPUZFZWRNHM-GXTWGEPZSA-N -1 3 317.414 2.942 20 0 DFADHM O=C1NCCC[C@H]1[N-]c1nc2cc(Cl)cc(Cl)c2o1 ZINC000683931744 546122501 /nfs/dbraw/zinc/12/25/01/546122501.db2.gz GJSCXMVGBRMTAY-MRVPVSSYSA-N -1 3 300.145 2.825 20 0 DFADHM Cc1nc(CS(=O)(=O)[N-]Cc2cc3ccccc3o2)cs1 ZINC000684098353 546151606 /nfs/dbraw/zinc/15/16/06/546151606.db2.gz XOMIEVTYAZCXAF-UHFFFAOYSA-N -1 3 322.411 2.817 20 0 DFADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ncccc2[O-])o1 ZINC000684350524 546197478 /nfs/dbraw/zinc/19/74/78/546197478.db2.gz RRCPCDQSYPLALT-AAEUAGOBSA-N -1 3 300.358 2.753 20 0 DFADHM Cc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000684657142 546257805 /nfs/dbraw/zinc/25/78/05/546257805.db2.gz DEGQKJKLIUWNFG-UHFFFAOYSA-N -1 3 320.201 2.503 20 0 DFADHM Cc1cc(C)c(NC(=O)c2n[n-]nc2-c2ccccc2)cc1CO ZINC000684755606 546273650 /nfs/dbraw/zinc/27/36/50/546273650.db2.gz GNYFDQIXOCDCAL-UHFFFAOYSA-N -1 3 322.368 2.833 20 0 DFADHM Cc1nccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1Cl ZINC000684752012 546273743 /nfs/dbraw/zinc/27/37/43/546273743.db2.gz TVFBGKCHWKNDDR-UHFFFAOYSA-N -1 3 313.748 2.503 20 0 DFADHM O=C(NCCN1CCCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871385 546295673 /nfs/dbraw/zinc/29/56/73/546295673.db2.gz IDABXFNEKMRKFH-UHFFFAOYSA-N -1 3 316.323 2.627 20 0 DFADHM CCN(CCNC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000684874665 546296168 /nfs/dbraw/zinc/29/61/68/546296168.db2.gz ZGXVAWGUPCLMOR-UHFFFAOYSA-N -1 3 316.323 2.625 20 0 DFADHM Cc1ncc([N-]S(=O)(=O)Cc2ccccc2F)c(C2CC2)n1 ZINC000685006724 546319286 /nfs/dbraw/zinc/31/92/86/546319286.db2.gz GNDZUSWXKPHGCO-UHFFFAOYSA-N -1 3 321.377 2.743 20 0 DFADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000685758113 546388115 /nfs/dbraw/zinc/38/81/15/546388115.db2.gz FCFUVEALSUVKII-VQIMIIECSA-N -1 3 318.380 2.932 20 0 DFADHM COCC(C)(C)CN=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000685917187 546408776 /nfs/dbraw/zinc/40/87/76/546408776.db2.gz DBHBGAJYUYOHDP-UHFFFAOYSA-N -1 3 308.813 2.642 20 0 DFADHM CN(CCc1ccc(Cl)cc1)c1ncccc1-c1nnn[n-]1 ZINC000736804748 598830107 /nfs/dbraw/zinc/83/01/07/598830107.db2.gz UBISKRRAONMNAK-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM CN(CCc1ccc(Cl)cc1)c1ncccc1-c1nn[n-]n1 ZINC000736804748 598830109 /nfs/dbraw/zinc/83/01/09/598830109.db2.gz UBISKRRAONMNAK-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM CN(CCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000736804470 598830121 /nfs/dbraw/zinc/83/01/21/598830121.db2.gz OSGIJTWPVKMSHB-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM CN(CCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000736804470 598830123 /nfs/dbraw/zinc/83/01/23/598830123.db2.gz OSGIJTWPVKMSHB-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737385485 598830210 /nfs/dbraw/zinc/83/02/10/598830210.db2.gz SYAMNQJTFICKAD-CYBMUJFWSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737385485 598830211 /nfs/dbraw/zinc/83/02/11/598830211.db2.gz SYAMNQJTFICKAD-CYBMUJFWSA-N -1 3 321.384 2.595 20 0 DFADHM CC(C)(C)CCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735601970 598848078 /nfs/dbraw/zinc/84/80/78/598848078.db2.gz IQCTXQXARYPXCN-MDZDMXLPSA-N -1 3 313.405 2.822 20 0 DFADHM CC(C)(C)CCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735601970 598848079 /nfs/dbraw/zinc/84/80/79/598848079.db2.gz IQCTXQXARYPXCN-MDZDMXLPSA-N -1 3 313.405 2.822 20 0 DFADHM CCc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)cn3)n2)cc1 ZINC000736676785 598859796 /nfs/dbraw/zinc/85/97/96/598859796.db2.gz DOSZLMMOSIKQDU-UHFFFAOYSA-N -1 3 319.328 2.541 20 0 DFADHM CCc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)cn3)n2)cc1 ZINC000736676785 598859797 /nfs/dbraw/zinc/85/97/97/598859797.db2.gz DOSZLMMOSIKQDU-UHFFFAOYSA-N -1 3 319.328 2.541 20 0 DFADHM CCOC[C@@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736610114 598869875 /nfs/dbraw/zinc/86/98/75/598869875.db2.gz GQAGIKGVPGUURT-LLVKDONJSA-N -1 3 321.812 2.773 20 0 DFADHM CCOC[C@@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736610114 598869877 /nfs/dbraw/zinc/86/98/77/598869877.db2.gz GQAGIKGVPGUURT-LLVKDONJSA-N -1 3 321.812 2.773 20 0 DFADHM CC(C)CCC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000735798736 598883661 /nfs/dbraw/zinc/88/36/61/598883661.db2.gz ZDFHMNUYZDNTBB-GFCCVEGCSA-N -1 3 318.377 2.613 20 0 DFADHM CC(C)CCC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000735798736 598883662 /nfs/dbraw/zinc/88/36/62/598883662.db2.gz ZDFHMNUYZDNTBB-GFCCVEGCSA-N -1 3 318.377 2.613 20 0 DFADHM C[C@@H]1CC(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000736222866 598888491 /nfs/dbraw/zinc/88/84/91/598888491.db2.gz GTZQPZZOBROXGW-QWRGUYRKSA-N -1 3 314.393 2.813 20 0 DFADHM C[C@@H]1CC(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000736222866 598888492 /nfs/dbraw/zinc/88/84/92/598888492.db2.gz GTZQPZZOBROXGW-QWRGUYRKSA-N -1 3 314.393 2.813 20 0 DFADHM CSCCCCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737182678 598902100 /nfs/dbraw/zinc/90/21/00/598902100.db2.gz QKUDUYOLBZHACD-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM CSCCCCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737182678 598902101 /nfs/dbraw/zinc/90/21/01/598902101.db2.gz QKUDUYOLBZHACD-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM CN(c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2ccccc2C1 ZINC000736841277 598914112 /nfs/dbraw/zinc/91/41/12/598914112.db2.gz CZRIGLWGMSVQRR-KRWDZBQOSA-N -1 3 305.385 2.860 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCCSC(C)(C)C ZINC000737032435 598938366 /nfs/dbraw/zinc/93/83/66/598938366.db2.gz LHRNBKGZMUMDRS-UHFFFAOYSA-N -1 3 308.407 2.786 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCCSC(C)(C)C ZINC000737032435 598938367 /nfs/dbraw/zinc/93/83/67/598938367.db2.gz LHRNBKGZMUMDRS-UHFFFAOYSA-N -1 3 308.407 2.786 20 0 DFADHM C[C@H](c1cccnc1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736204956 598939676 /nfs/dbraw/zinc/93/96/76/598939676.db2.gz UTMSAQSAOGFJCH-SECBINFHSA-N -1 3 315.768 2.508 20 0 DFADHM C[C@H](c1cccnc1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736204956 598939677 /nfs/dbraw/zinc/93/96/77/598939677.db2.gz UTMSAQSAOGFJCH-SECBINFHSA-N -1 3 315.768 2.508 20 0 DFADHM CCO[C@@H]1C[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000736610502 598974119 /nfs/dbraw/zinc/97/41/19/598974119.db2.gz IECGPBHSKQCZHK-CHWSQXEVSA-N -1 3 319.384 2.646 20 0 DFADHM CCO[C@@H]1C[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000736610502 598974120 /nfs/dbraw/zinc/97/41/20/598974120.db2.gz IECGPBHSKQCZHK-CHWSQXEVSA-N -1 3 319.384 2.646 20 0 DFADHM Cc1cnc([C@@H](Nc2ncccc2-c2nnn[n-]2)C2CC2)s1 ZINC000737444925 599321528 /nfs/dbraw/zinc/32/15/28/599321528.db2.gz CJPVEQJCICHURN-NSHDSACASA-N -1 3 313.390 2.590 20 0 DFADHM Cc1cnc([C@@H](Nc2ncccc2-c2nn[n-]n2)C2CC2)s1 ZINC000737444925 599321530 /nfs/dbraw/zinc/32/15/30/599321530.db2.gz CJPVEQJCICHURN-NSHDSACASA-N -1 3 313.390 2.590 20 0 DFADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736227991 599019676 /nfs/dbraw/zinc/01/96/76/599019676.db2.gz MUDMOAAGVPDYMR-BDAKNGLRSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736227991 599019678 /nfs/dbraw/zinc/01/96/78/599019678.db2.gz MUDMOAAGVPDYMR-BDAKNGLRSA-N -1 3 320.784 2.782 20 0 DFADHM COc1cc(COC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000737048002 599028503 /nfs/dbraw/zinc/02/85/03/599028503.db2.gz WEDHNMDJZJFEGA-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1cc(COC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000737048002 599028505 /nfs/dbraw/zinc/02/85/05/599028505.db2.gz WEDHNMDJZJFEGA-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM CCC(C)(C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736315700 599038945 /nfs/dbraw/zinc/03/89/45/599038945.db2.gz UIUDCDQAFANOHG-UHFFFAOYSA-N -1 3 300.288 2.881 20 0 DFADHM CCC(C)(C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736315700 599038947 /nfs/dbraw/zinc/03/89/47/599038947.db2.gz UIUDCDQAFANOHG-UHFFFAOYSA-N -1 3 300.288 2.881 20 0 DFADHM Cc1cccc([C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737390276 599040007 /nfs/dbraw/zinc/04/00/07/599040007.db2.gz RZWTYGQSDUPHAP-CYBMUJFWSA-N -1 3 321.384 2.709 20 0 DFADHM Cc1cccc([C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737390276 599040010 /nfs/dbraw/zinc/04/00/10/599040010.db2.gz RZWTYGQSDUPHAP-CYBMUJFWSA-N -1 3 321.384 2.709 20 0 DFADHM Cc1csc([C@H](Nc2ncccc2-c2nnn[n-]2)C2CC2)n1 ZINC000822408733 599044595 /nfs/dbraw/zinc/04/45/95/599044595.db2.gz HOHFKJRCNFGREU-LLVKDONJSA-N -1 3 313.390 2.590 20 0 DFADHM Cc1csc([C@H](Nc2ncccc2-c2nn[n-]n2)C2CC2)n1 ZINC000822408733 599044599 /nfs/dbraw/zinc/04/45/99/599044599.db2.gz HOHFKJRCNFGREU-LLVKDONJSA-N -1 3 313.390 2.590 20 0 DFADHM CCN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C(C)C ZINC000736565240 599046812 /nfs/dbraw/zinc/04/68/12/599046812.db2.gz SSYJZZYXECXUKI-UHFFFAOYSA-N -1 3 300.288 2.515 20 0 DFADHM CCN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C(C)C ZINC000736565240 599046815 /nfs/dbraw/zinc/04/68/15/599046815.db2.gz SSYJZZYXECXUKI-UHFFFAOYSA-N -1 3 300.288 2.515 20 0 DFADHM Cc1cccc([C@H](C)CNc2nnc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000737390455 599047477 /nfs/dbraw/zinc/04/74/77/599047477.db2.gz TZCSPZJIPAMXMD-LLVKDONJSA-N -1 3 323.404 2.798 20 0 DFADHM Cc1cccc([C@H](C)CNc2nnc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000737390455 599047478 /nfs/dbraw/zinc/04/74/78/599047478.db2.gz TZCSPZJIPAMXMD-LLVKDONJSA-N -1 3 323.404 2.798 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822516378 599055591 /nfs/dbraw/zinc/05/55/91/599055591.db2.gz XNSSKVDWSSNOIS-RWMBFGLXSA-N -1 3 313.409 2.654 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822516378 599055593 /nfs/dbraw/zinc/05/55/93/599055593.db2.gz XNSSKVDWSSNOIS-RWMBFGLXSA-N -1 3 313.409 2.654 20 0 DFADHM CCN(CC1CC1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736534635 599056813 /nfs/dbraw/zinc/05/68/13/599056813.db2.gz MMSODBRBWZDHDI-UHFFFAOYSA-N -1 3 312.299 2.517 20 0 DFADHM CCN(CC1CC1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736534635 599056816 /nfs/dbraw/zinc/05/68/16/599056816.db2.gz MMSODBRBWZDHDI-UHFFFAOYSA-N -1 3 312.299 2.517 20 0 DFADHM Cc1ccc(C(C)(C)CN(C)c2ncccc2-c2nnn[n-]2)cc1 ZINC000822227243 599062863 /nfs/dbraw/zinc/06/28/63/599062863.db2.gz AWXGHTBTZLWGQC-UHFFFAOYSA-N -1 3 322.416 2.984 20 0 DFADHM Cc1ccc(C(C)(C)CN(C)c2ncccc2-c2nn[n-]n2)cc1 ZINC000822227243 599062865 /nfs/dbraw/zinc/06/28/65/599062865.db2.gz AWXGHTBTZLWGQC-UHFFFAOYSA-N -1 3 322.416 2.984 20 0 DFADHM Cc1cc(C)cc(C[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000822196240 599063119 /nfs/dbraw/zinc/06/31/19/599063119.db2.gz AWRBGPYVRHMPQQ-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1cc(C)cc(C[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822196240 599063122 /nfs/dbraw/zinc/06/31/22/599063122.db2.gz AWRBGPYVRHMPQQ-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1noc(C2CC2)n1 ZINC000737644741 599066352 /nfs/dbraw/zinc/06/63/52/599066352.db2.gz LHIJTLZOZNNKDA-UHFFFAOYSA-N -1 3 318.337 2.559 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1noc(C2CC2)n1 ZINC000737644741 599066355 /nfs/dbraw/zinc/06/63/55/599066355.db2.gz LHIJTLZOZNNKDA-UHFFFAOYSA-N -1 3 318.337 2.559 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1nc2ccccc2o1 ZINC000822761352 599069987 /nfs/dbraw/zinc/06/99/87/599069987.db2.gz JWBFLRALJLDIEF-UHFFFAOYSA-N -1 3 310.292 2.759 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1nc2ccccc2o1 ZINC000822761352 599069991 /nfs/dbraw/zinc/06/99/91/599069991.db2.gz JWBFLRALJLDIEF-UHFFFAOYSA-N -1 3 310.292 2.759 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)c2ccco2)s1 ZINC000736679484 599071650 /nfs/dbraw/zinc/07/16/50/599071650.db2.gz UZWOPQYPNZKQDF-QMMMGPOBSA-N -1 3 317.374 2.826 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)c2ccco2)s1 ZINC000736679484 599071652 /nfs/dbraw/zinc/07/16/52/599071652.db2.gz UZWOPQYPNZKQDF-QMMMGPOBSA-N -1 3 317.374 2.826 20 0 DFADHM CS[C@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821951346 599072606 /nfs/dbraw/zinc/07/26/06/599072606.db2.gz XAJJBGVADUYPMI-IUCAKERBSA-N -1 3 310.814 2.611 20 0 DFADHM CS[C@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821951346 599072609 /nfs/dbraw/zinc/07/26/09/599072609.db2.gz XAJJBGVADUYPMI-IUCAKERBSA-N -1 3 310.814 2.611 20 0 DFADHM COc1ccccc1C[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821889535 599077230 /nfs/dbraw/zinc/07/72/30/599077230.db2.gz CBUWRIXMZPAZAA-CYBMUJFWSA-N -1 3 323.400 2.943 20 0 DFADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC000820276376 599097640 /nfs/dbraw/zinc/09/76/40/599097640.db2.gz WHBPTCLIRUNRMG-VIFPVBQESA-N -1 3 316.315 2.756 20 0 DFADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC000820276376 599097643 /nfs/dbraw/zinc/09/76/43/599097643.db2.gz WHBPTCLIRUNRMG-VIFPVBQESA-N -1 3 316.315 2.756 20 0 DFADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820280704 599097687 /nfs/dbraw/zinc/09/76/87/599097687.db2.gz MVCZSFWVEFINBF-VIFPVBQESA-N -1 3 316.315 2.756 20 0 DFADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820280704 599097690 /nfs/dbraw/zinc/09/76/90/599097690.db2.gz MVCZSFWVEFINBF-VIFPVBQESA-N -1 3 316.315 2.756 20 0 DFADHM CCC[C@@H](CCO)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821021210 599104599 /nfs/dbraw/zinc/10/45/99/599104599.db2.gz LXEXUVCSDKGCEJ-JTQLQIEISA-N -1 3 309.801 2.731 20 0 DFADHM CCC[C@@H](CCO)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821021210 599104601 /nfs/dbraw/zinc/10/46/01/599104601.db2.gz LXEXUVCSDKGCEJ-JTQLQIEISA-N -1 3 309.801 2.731 20 0 DFADHM CC(C)[C@H](C)SCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820020397 599129405 /nfs/dbraw/zinc/12/94/05/599129405.db2.gz FRDZTDXQJRXNTK-QMMMGPOBSA-N -1 3 311.436 2.644 20 0 DFADHM CC(C)[C@H](C)SCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820020397 599129407 /nfs/dbraw/zinc/12/94/07/599129407.db2.gz FRDZTDXQJRXNTK-QMMMGPOBSA-N -1 3 311.436 2.644 20 0 DFADHM CCN(C(=O)/C=C/C1CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147429 599143841 /nfs/dbraw/zinc/14/38/41/599143841.db2.gz GAQQDNAJKWIGRS-BCMYLCSRSA-N -1 3 311.389 2.742 20 0 DFADHM CCN(C(=O)/C=C/C1CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147429 599143842 /nfs/dbraw/zinc/14/38/42/599143842.db2.gz GAQQDNAJKWIGRS-BCMYLCSRSA-N -1 3 311.389 2.742 20 0 DFADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C\C1CC1 ZINC000820116352 599145805 /nfs/dbraw/zinc/14/58/05/599145805.db2.gz IFIOJPNQZSHPQG-YFHOEESVSA-N -1 3 311.389 2.570 20 0 DFADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C\C1CC1 ZINC000820116352 599145807 /nfs/dbraw/zinc/14/58/07/599145807.db2.gz IFIOJPNQZSHPQG-YFHOEESVSA-N -1 3 311.389 2.570 20 0 DFADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C/C1CC1 ZINC000820116351 599145969 /nfs/dbraw/zinc/14/59/69/599145969.db2.gz IFIOJPNQZSHPQG-JXMROGBWSA-N -1 3 311.389 2.570 20 0 DFADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C/C1CC1 ZINC000820116351 599145970 /nfs/dbraw/zinc/14/59/70/599145970.db2.gz IFIOJPNQZSHPQG-JXMROGBWSA-N -1 3 311.389 2.570 20 0 DFADHM CC(C)CN(C(=O)/C=C/C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081828 599146118 /nfs/dbraw/zinc/14/61/18/599146118.db2.gz 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/nfs/dbraw/zinc/15/95/14/599159514.db2.gz XNMFRHLBFINGJE-UHFFFAOYSA-N -1 3 316.390 2.806 20 0 DFADHM CC(C)CSCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000735851110 599159517 /nfs/dbraw/zinc/15/95/17/599159517.db2.gz XNMFRHLBFINGJE-UHFFFAOYSA-N -1 3 316.390 2.806 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820868663 599159715 /nfs/dbraw/zinc/15/97/15/599159715.db2.gz BGSVWOFPXOIWRL-STQMWFEESA-N -1 3 315.421 2.740 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820868663 599159716 /nfs/dbraw/zinc/15/97/16/599159716.db2.gz BGSVWOFPXOIWRL-STQMWFEESA-N -1 3 315.421 2.740 20 0 DFADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1ccco1 ZINC000738253346 599165909 /nfs/dbraw/zinc/16/59/09/599165909.db2.gz DICVPXPIKHRQCG-CQSZACIVSA-N -1 3 323.356 2.827 20 0 DFADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1ccco1 ZINC000738253346 599165911 /nfs/dbraw/zinc/16/59/11/599165911.db2.gz DICVPXPIKHRQCG-CQSZACIVSA-N -1 3 323.356 2.827 20 0 DFADHM CCc1nnc([C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000736705908 599171188 /nfs/dbraw/zinc/17/11/88/599171188.db2.gz CJRMLPJYLUZBCH-SSDOTTSWSA-N -1 3 320.353 2.805 20 0 DFADHM CCc1nnc([C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000736705908 599171190 /nfs/dbraw/zinc/17/11/90/599171190.db2.gz CJRMLPJYLUZBCH-SSDOTTSWSA-N -1 3 320.353 2.805 20 0 DFADHM CCCc1ncc(C(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000736494448 599177416 /nfs/dbraw/zinc/17/74/16/599177416.db2.gz CAMFGIZWQRAPDT-UHFFFAOYSA-N -1 3 314.374 2.528 20 0 DFADHM CCCc1ncc(C(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000736494448 599177419 /nfs/dbraw/zinc/17/74/19/599177419.db2.gz CAMFGIZWQRAPDT-UHFFFAOYSA-N -1 3 314.374 2.528 20 0 DFADHM C[C@@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735570274 599179439 /nfs/dbraw/zinc/17/94/39/599179439.db2.gz MJSFEKMJBXGWTL-MRVPVSSYSA-N -1 3 317.349 2.810 20 0 DFADHM C[C@@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735570274 599179440 /nfs/dbraw/zinc/17/94/40/599179440.db2.gz MJSFEKMJBXGWTL-MRVPVSSYSA-N -1 3 317.349 2.810 20 0 DFADHM O=C(CCC1CCCC1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822950081 599181713 /nfs/dbraw/zinc/18/17/13/599181713.db2.gz DINOZBZIXRMHJX-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM O=C(CCC1CCCC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822950081 599181714 /nfs/dbraw/zinc/18/17/14/599181714.db2.gz DINOZBZIXRMHJX-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM Cc1ccc(CCNC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737336873 599182159 /nfs/dbraw/zinc/18/21/59/599182159.db2.gz IVADESUQUOTGHS-UHFFFAOYSA-N -1 3 322.372 2.539 20 0 DFADHM Cc1ccc(CCNC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737336873 599182161 /nfs/dbraw/zinc/18/21/61/599182161.db2.gz IVADESUQUOTGHS-UHFFFAOYSA-N -1 3 322.372 2.539 20 0 DFADHM C[C@H](COC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736037355 599215978 /nfs/dbraw/zinc/21/59/78/599215978.db2.gz KMSCHQWXJCFUCE-CYBMUJFWSA-N -1 3 322.368 2.756 20 0 DFADHM C[C@H](COC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736037355 599215980 /nfs/dbraw/zinc/21/59/80/599215980.db2.gz 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Cc1c(NC(=O)c2ccc3cc[nH]c3c2)cccc1-c1nn[n-]n1 ZINC000822107739 607269165 /nfs/dbraw/zinc/26/91/65/607269165.db2.gz CQAGZMIXFXCPPS-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM CC[C@@]1(C)CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820949844 599245421 /nfs/dbraw/zinc/24/54/21/599245421.db2.gz GKUBVAQJALNQDY-INIZCTEOSA-N -1 3 314.393 2.911 20 0 DFADHM CC[C@@]1(C)CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820949844 599245424 /nfs/dbraw/zinc/24/54/24/599245424.db2.gz GKUBVAQJALNQDY-INIZCTEOSA-N -1 3 314.393 2.911 20 0 DFADHM Cc1c(NC(=O)N(C)[C@@H](C)C2(C)CC2)cccc1-c1nnn[n-]1 ZINC000822076236 607282188 /nfs/dbraw/zinc/28/21/88/607282188.db2.gz MVKMMDUXBPWCFV-NSHDSACASA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N(C)[C@@H](C)C2(C)CC2)cccc1-c1nn[n-]n1 ZINC000822076236 607282189 /nfs/dbraw/zinc/28/21/89/607282189.db2.gz MVKMMDUXBPWCFV-NSHDSACASA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)NCC2(C(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000822096113 607291847 /nfs/dbraw/zinc/29/18/47/607291847.db2.gz 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/nfs/dbraw/zinc/30/84/99/607308499.db2.gz KBTDNCXEARSKLY-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM COc1ccc(CNc2cc(F)cc(F)c2)cc1-c1nnn[n-]1 ZINC000821821833 607310837 /nfs/dbraw/zinc/31/08/37/607310837.db2.gz ZDYZGSDJFOMIGW-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(CNc2cc(F)cc(F)c2)cc1-c1nn[n-]n1 ZINC000821821833 607310838 /nfs/dbraw/zinc/31/08/38/607310838.db2.gz ZDYZGSDJFOMIGW-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Cc1cn(CC(=O)Nc2c(C)cc(C)cc2C)cc1-c1nnn[n-]1 ZINC000822194399 607329497 /nfs/dbraw/zinc/32/94/97/607329497.db2.gz WEFLHLHVNXAIFI-UHFFFAOYSA-N -1 3 324.388 2.541 20 0 DFADHM Cc1cn(CC(=O)Nc2c(C)cc(C)cc2C)cc1-c1nn[n-]n1 ZINC000822194399 607329498 /nfs/dbraw/zinc/32/94/98/607329498.db2.gz WEFLHLHVNXAIFI-UHFFFAOYSA-N -1 3 324.388 2.541 20 0 DFADHM Cc1cn(CC(=O)Nc2ccccc2C(C)C)cc1-c1nnn[n-]1 ZINC000822384091 607329666 /nfs/dbraw/zinc/32/96/66/607329666.db2.gz HPMIZXNZALQGEP-UHFFFAOYSA-N -1 3 324.388 2.739 20 0 DFADHM Cc1cn(CC(=O)Nc2ccccc2C(C)C)cc1-c1nn[n-]n1 ZINC000822384091 607329667 /nfs/dbraw/zinc/32/96/67/607329667.db2.gz HPMIZXNZALQGEP-UHFFFAOYSA-N -1 3 324.388 2.739 20 0 DFADHM Cc1cn(Cc2ncc(-c3ccccc3F)o2)cc1-c1nnn[n-]1 ZINC000822388874 607329936 /nfs/dbraw/zinc/32/99/36/607329936.db2.gz DXDIMRWPGCEKTC-UHFFFAOYSA-N -1 3 324.319 2.819 20 0 DFADHM Cc1cn(Cc2ncc(-c3ccccc3F)o2)cc1-c1nn[n-]n1 ZINC000822388874 607329937 /nfs/dbraw/zinc/32/99/37/607329937.db2.gz DXDIMRWPGCEKTC-UHFFFAOYSA-N -1 3 324.319 2.819 20 0 DFADHM COc1cc(Cn2cc(C)c(-c3nnn[n-]3)c2)ccc1SC ZINC000821719583 607330215 /nfs/dbraw/zinc/33/02/15/607330215.db2.gz FUIXCZNUTLSMGL-UHFFFAOYSA-N -1 3 315.402 2.755 20 0 DFADHM COc1cc(Cn2cc(C)c(-c3nn[n-]n3)c2)ccc1SC ZINC000821719583 607330216 /nfs/dbraw/zinc/33/02/16/607330216.db2.gz FUIXCZNUTLSMGL-UHFFFAOYSA-N -1 3 315.402 2.755 20 0 DFADHM Fc1ccc2c(c1)CN(c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000822787010 607331884 /nfs/dbraw/zinc/33/18/84/607331884.db2.gz RZYGSSBVMJLZDL-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc2c(c1)CN(c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000822787010 607331885 /nfs/dbraw/zinc/33/18/85/607331885.db2.gz RZYGSSBVMJLZDL-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Cc1cccn2cc(CNc3ccc(-c4nn[n-]n4)cc3F)nc12 ZINC000822366392 607332760 /nfs/dbraw/zinc/33/27/60/607332760.db2.gz JHPIZWYHPPNZEL-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1c([C@H](C)NCCCCC(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000820944522 598171420 /nfs/dbraw/zinc/17/14/20/598171420.db2.gz CGQHYFGRWYIOAN-NSHDSACASA-N -1 3 320.368 2.620 20 0 DFADHM COC(=O)c1oc([C@H](C)N2CCC[C@H](CC(=O)[O-])C2)cc1C ZINC000820693805 598172259 /nfs/dbraw/zinc/17/22/59/598172259.db2.gz GZRXCLCXVWJYTG-NWDGAFQWSA-N -1 3 309.362 2.622 20 0 DFADHM CC(C)[C@@H](NCc1coc(-c2c(F)cccc2F)n1)C(=O)[O-] ZINC000820043993 598189771 /nfs/dbraw/zinc/18/97/71/598189771.db2.gz MYWWKQHVZKIYRH-CYBMUJFWSA-N -1 3 310.300 2.819 20 0 DFADHM CCC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000736431285 598233883 /nfs/dbraw/zinc/23/38/83/598233883.db2.gz 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/nfs/dbraw/zinc/24/50/90/598245090.db2.gz JGRVGJKFWIHHRQ-CQSZACIVSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccccc1[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737421489 598245091 /nfs/dbraw/zinc/24/50/91/598245091.db2.gz JGRVGJKFWIHHRQ-CQSZACIVSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccc(N(C)CCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737347806 598258765 /nfs/dbraw/zinc/25/87/65/598258765.db2.gz REYHZVDAQKSQER-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM Cc1ccc(N(C)CCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737347806 598258766 /nfs/dbraw/zinc/25/87/66/598258766.db2.gz REYHZVDAQKSQER-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM CN(C(=O)CC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732118 598281404 /nfs/dbraw/zinc/28/14/04/598281404.db2.gz KGGURAUWLJHJIN-UHFFFAOYSA-N -1 3 317.368 2.939 20 0 DFADHM CN(C(=O)CC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732118 598281405 /nfs/dbraw/zinc/28/14/05/598281405.db2.gz KGGURAUWLJHJIN-UHFFFAOYSA-N -1 3 317.368 2.939 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCCCCC1 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COc1ccccc1C=CC=Cc1ccc(-c2nnn[n-]2)cn1 ZINC000737147155 598363290 /nfs/dbraw/zinc/36/32/90/598363290.db2.gz KZDJYONODNNMGW-JHMJBTLWSA-N -1 3 305.341 2.997 20 0 DFADHM COc1ccccc1C=CC=Cc1ccc(-c2nn[n-]n2)cn1 ZINC000737147155 598363292 /nfs/dbraw/zinc/36/32/92/598363292.db2.gz KZDJYONODNNMGW-JHMJBTLWSA-N -1 3 305.341 2.997 20 0 DFADHM Clc1cc(-c2nnn[n-]2)ccc1Oc1ncnc2[nH]ccc21 ZINC000737562752 598386769 /nfs/dbraw/zinc/38/67/69/598386769.db2.gz MJKDQYMQPAFJMT-UHFFFAOYSA-N -1 3 313.708 2.584 20 0 DFADHM Clc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2[nH]ccc21 ZINC000737562752 598386771 /nfs/dbraw/zinc/38/67/71/598386771.db2.gz MJKDQYMQPAFJMT-UHFFFAOYSA-N -1 3 313.708 2.584 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CC1=CCCCC1 ZINC000737024074 598394391 /nfs/dbraw/zinc/39/43/91/598394391.db2.gz JVEYDWLANHMRNV-UHFFFAOYSA-N -1 3 314.345 2.671 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CC1=CCCCC1 ZINC000737024074 598394393 /nfs/dbraw/zinc/39/43/93/598394393.db2.gz JVEYDWLANHMRNV-UHFFFAOYSA-N -1 3 314.345 2.671 20 0 DFADHM O=C(CC1=CCCCC1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737812453 598410545 /nfs/dbraw/zinc/41/05/45/598410545.db2.gz FBWYWCJGRQVPJF-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM O=C(CC1=CCCCC1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737812453 598410543 /nfs/dbraw/zinc/41/05/43/598410543.db2.gz FBWYWCJGRQVPJF-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737251950 598423259 /nfs/dbraw/zinc/42/32/59/598423259.db2.gz FZKRBSGHWVVALO-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737251950 598423260 /nfs/dbraw/zinc/42/32/60/598423260.db2.gz FZKRBSGHWVVALO-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737194502 598428613 /nfs/dbraw/zinc/42/86/13/598428613.db2.gz MMGZTOSSMYATSW-LLVKDONJSA-N -1 3 308.345 2.749 20 0 DFADHM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737194502 598428615 /nfs/dbraw/zinc/42/86/15/598428615.db2.gz MMGZTOSSMYATSW-LLVKDONJSA-N -1 3 308.345 2.749 20 0 DFADHM COc1ccc([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737071361 598435859 /nfs/dbraw/zinc/43/58/59/598435859.db2.gz DXLHHHLYXYMABR-LLVKDONJSA-N -1 3 323.356 2.618 20 0 DFADHM COc1ccc([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737071361 598435862 /nfs/dbraw/zinc/43/58/62/598435862.db2.gz DXLHHHLYXYMABR-LLVKDONJSA-N -1 3 323.356 2.618 20 0 DFADHM C[C@H](CN(C)C(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736001417 598445279 /nfs/dbraw/zinc/44/52/79/598445279.db2.gz PDACBZFOYQZDLA-CYBMUJFWSA-N -1 3 321.384 2.742 20 0 DFADHM C[C@H](CN(C)C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736001417 598445280 /nfs/dbraw/zinc/44/52/80/598445280.db2.gz PDACBZFOYQZDLA-CYBMUJFWSA-N -1 3 321.384 2.742 20 0 DFADHM C[C@H](C1CC1)n1nccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000735963609 598466659 /nfs/dbraw/zinc/46/66/59/598466659.db2.gz IKZLXVOHXWIGNU-LLVKDONJSA-N -1 3 309.377 2.646 20 0 DFADHM C[C@H](C1CC1)n1nccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000735963609 598466661 /nfs/dbraw/zinc/46/66/61/598466661.db2.gz IKZLXVOHXWIGNU-LLVKDONJSA-N -1 3 309.377 2.646 20 0 DFADHM CO[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000821677430 599687457 /nfs/dbraw/zinc/68/74/57/599687457.db2.gz WSBSYJSRRAIUMF-LBPRGKRZSA-N -1 3 309.801 2.993 20 0 DFADHM CO[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC000821677430 599687458 /nfs/dbraw/zinc/68/74/58/599687458.db2.gz WSBSYJSRRAIUMF-LBPRGKRZSA-N -1 3 309.801 2.993 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC000738206755 598540998 /nfs/dbraw/zinc/54/09/98/598540998.db2.gz GVJXVSZUJAANFL-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC000738206755 598541000 /nfs/dbraw/zinc/54/10/00/598541000.db2.gz GVJXVSZUJAANFL-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM CC=CC=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736303982 598545365 /nfs/dbraw/zinc/54/53/65/598545365.db2.gz MQTUVZVVAPQQNG-IAROGAJJSA-N -1 3 321.287 2.539 20 0 DFADHM CC=CC=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F 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CO[C@@H](C)CCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736959724 598579090 /nfs/dbraw/zinc/57/90/90/598579090.db2.gz CRXPVFIWHSSKCB-QMMMGPOBSA-N -1 3 315.299 2.722 20 0 DFADHM CCS[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000736664399 598583499 /nfs/dbraw/zinc/58/34/99/598583499.db2.gz KBZUDQBHAMWTDL-LBPRGKRZSA-N -1 3 323.397 2.722 20 0 DFADHM CCS[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000736664399 598583500 /nfs/dbraw/zinc/58/35/00/598583500.db2.gz KBZUDQBHAMWTDL-LBPRGKRZSA-N -1 3 323.397 2.722 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000737316608 598591866 /nfs/dbraw/zinc/59/18/66/598591866.db2.gz ZPSTYCUCVTZIOU-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000737316608 598591868 /nfs/dbraw/zinc/59/18/68/598591868.db2.gz ZPSTYCUCVTZIOU-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000738167722 598592669 /nfs/dbraw/zinc/59/26/69/598592669.db2.gz SAVOLFJZBPITKM-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000738167722 598592672 /nfs/dbraw/zinc/59/26/72/598592672.db2.gz SAVOLFJZBPITKM-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM Cc1cccc2nc(CNc3cccc(F)c3-c3nnn[n-]3)cn21 ZINC000737419394 598594004 /nfs/dbraw/zinc/59/40/04/598594004.db2.gz VZBJFJGNECMFGH-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cccc2nc(CNc3cccc(F)c3-c3nn[n-]n3)cn21 ZINC000737419394 598594005 /nfs/dbraw/zinc/59/40/05/598594005.db2.gz VZBJFJGNECMFGH-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@H]1C1CCC1 ZINC000737797453 598597924 /nfs/dbraw/zinc/59/79/24/598597924.db2.gz IRLYEGGUFIICRA-OFAQMXQXSA-N -1 3 323.400 2.671 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@H]1C1CCC1 ZINC000737797453 598597926 /nfs/dbraw/zinc/59/79/26/598597926.db2.gz IRLYEGGUFIICRA-OFAQMXQXSA-N -1 3 323.400 2.671 20 0 DFADHM Fc1cccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737668812 598613070 /nfs/dbraw/zinc/61/30/70/598613070.db2.gz YAJDNYGSLOZGHP-UHFFFAOYSA-N -1 3 308.276 2.723 20 0 DFADHM Fc1cccc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737668812 598613072 /nfs/dbraw/zinc/61/30/72/598613072.db2.gz YAJDNYGSLOZGHP-UHFFFAOYSA-N -1 3 308.276 2.723 20 0 DFADHM CCCN(CCC)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736474126 598632517 /nfs/dbraw/zinc/63/25/17/598632517.db2.gz WHQREKKKUMJBTB-UHFFFAOYSA-N -1 3 306.345 2.660 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)/C=C\C(C)(C)C ZINC000736626416 598627239 /nfs/dbraw/zinc/62/72/39/598627239.db2.gz HMAHOHDDDZVGEF-HJWRWDBZSA-N -1 3 316.361 2.773 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)/C=C\C(C)(C)C ZINC000736626416 598627240 /nfs/dbraw/zinc/62/72/40/598627240.db2.gz HMAHOHDDDZVGEF-HJWRWDBZSA-N -1 3 316.361 2.773 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1NCCc1ccccn1 ZINC000737574401 598629701 /nfs/dbraw/zinc/62/97/01/598629701.db2.gz JVUWPQOKHUUVFM-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1NCCc1ccccn1 ZINC000737574401 598629702 /nfs/dbraw/zinc/62/97/02/598629702.db2.gz JVUWPQOKHUUVFM-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM CCCN(CCC)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736474126 598632516 /nfs/dbraw/zinc/63/25/16/598632516.db2.gz WHQREKKKUMJBTB-UHFFFAOYSA-N -1 3 306.345 2.660 20 0 DFADHM COCc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737018272 598633173 /nfs/dbraw/zinc/63/31/73/598633173.db2.gz WVKRAHKTZGEOKL-UHFFFAOYSA-N -1 3 313.336 2.764 20 0 DFADHM COCc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737018272 598633175 /nfs/dbraw/zinc/63/31/75/598633175.db2.gz WVKRAHKTZGEOKL-UHFFFAOYSA-N -1 3 313.336 2.764 20 0 DFADHM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736335690 598633717 /nfs/dbraw/zinc/63/37/17/598633717.db2.gz ZNJPQHQFBSKHMM-BDAKNGLRSA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736335690 598633719 /nfs/dbraw/zinc/63/37/19/598633719.db2.gz ZNJPQHQFBSKHMM-BDAKNGLRSA-N -1 3 306.345 2.562 20 0 DFADHM CCCN(CCC)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736474184 598650023 /nfs/dbraw/zinc/65/00/23/598650023.db2.gz XTPXEPNKPKJNGI-UHFFFAOYSA-N -1 3 319.434 2.607 20 0 DFADHM CCCN(CCC)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736474184 598650024 /nfs/dbraw/zinc/65/00/24/598650024.db2.gz XTPXEPNKPKJNGI-UHFFFAOYSA-N -1 3 319.434 2.607 20 0 DFADHM CC[C@@H](C)[C@@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736325948 598656647 /nfs/dbraw/zinc/65/66/47/598656647.db2.gz AFHFBAMGANHBMB-GHMZBOCLSA-N -1 3 319.434 2.510 20 0 DFADHM CC[C@@H](C)[C@@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736325948 598656649 /nfs/dbraw/zinc/65/66/49/598656649.db2.gz AFHFBAMGANHBMB-GHMZBOCLSA-N -1 3 319.434 2.510 20 0 DFADHM CN(Cc1cscn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736832059 598657840 /nfs/dbraw/zinc/65/78/40/598657840.db2.gz ZIDYEFVPVXGULZ-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CN(Cc1cscn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736832059 598657841 /nfs/dbraw/zinc/65/78/41/598657841.db2.gz ZIDYEFVPVXGULZ-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CC(C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735888758 598662745 /nfs/dbraw/zinc/66/27/45/598662745.db2.gz PTPCIOXCBGGGDF-UHFFFAOYSA-N -1 3 323.356 2.797 20 0 DFADHM CC(C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735888758 598662747 /nfs/dbraw/zinc/66/27/47/598662747.db2.gz PTPCIOXCBGGGDF-UHFFFAOYSA-N -1 3 323.356 2.797 20 0 DFADHM CC(C)(CNc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC000735671147 598672496 /nfs/dbraw/zinc/67/24/96/598672496.db2.gz PDTYIOCHIPLEJD-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CC(C)(CNc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC000735671147 598672499 /nfs/dbraw/zinc/67/24/99/598672499.db2.gz PDTYIOCHIPLEJD-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CCC(CC)[C@H](O)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736338649 598679744 /nfs/dbraw/zinc/67/97/44/598679744.db2.gz ZPEXVULBCPTVSX-CYBMUJFWSA-N -1 3 309.801 2.729 20 0 DFADHM CCC(CC)[C@H](O)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736338649 598679746 /nfs/dbraw/zinc/67/97/46/598679746.db2.gz ZPEXVULBCPTVSX-CYBMUJFWSA-N -1 3 309.801 2.729 20 0 DFADHM CN(Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000736819523 598682336 /nfs/dbraw/zinc/68/23/36/598682336.db2.gz NAPLAJUXUWJYMB-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM CN(Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000736819523 598682337 /nfs/dbraw/zinc/68/23/37/598682337.db2.gz NAPLAJUXUWJYMB-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM Cc1cccc2c1CCN2Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000737410471 598683689 /nfs/dbraw/zinc/68/36/89/598683689.db2.gz SPGPNGKKTAZUKI-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1cccc2c1CCN2Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000737410471 598683691 /nfs/dbraw/zinc/68/36/91/598683691.db2.gz SPGPNGKKTAZUKI-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM CC(C)(C)/C=C\C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000735593287 598727107 /nfs/dbraw/zinc/72/71/07/598727107.db2.gz HVSJCIGNIMRJDK-SREVYHEPSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)(C)/C=C\C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000735593287 598727108 /nfs/dbraw/zinc/72/71/08/598727108.db2.gz HVSJCIGNIMRJDK-SREVYHEPSA-N -1 3 304.325 2.651 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736322766 598728996 /nfs/dbraw/zinc/72/89/96/598728996.db2.gz OTCGFUSNRVFYQQ-SNVBAGLBSA-N -1 3 302.382 2.685 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736322766 598728997 /nfs/dbraw/zinc/72/89/97/598728997.db2.gz OTCGFUSNRVFYQQ-SNVBAGLBSA-N -1 3 302.382 2.685 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736060203 598741158 /nfs/dbraw/zinc/74/11/58/598741158.db2.gz ZZYCPWPUBIEFSB-ZDUSSCGKSA-N -1 3 321.384 2.708 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736060203 598741157 /nfs/dbraw/zinc/74/11/57/598741157.db2.gz ZZYCPWPUBIEFSB-ZDUSSCGKSA-N -1 3 321.384 2.708 20 0 DFADHM Fc1cccc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3)c12 ZINC000737662558 598743825 /nfs/dbraw/zinc/74/38/25/598743825.db2.gz BJQGNAQIHFWRRT-UHFFFAOYSA-N -1 3 308.276 2.741 20 0 DFADHM Cc1ccccc1CCC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737428267 598780649 /nfs/dbraw/zinc/78/06/49/598780649.db2.gz VWCVHKCAHZFPRP-UHFFFAOYSA-N -1 3 322.368 2.851 20 0 DFADHM Cc1ccccc1CCC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737428267 598780651 /nfs/dbraw/zinc/78/06/51/598780651.db2.gz VWCVHKCAHZFPRP-UHFFFAOYSA-N -1 3 322.368 2.851 20 0 DFADHM CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000736506342 598781910 /nfs/dbraw/zinc/78/19/10/598781910.db2.gz VBHKWXDXEAMRSC-UHFFFAOYSA-N -1 3 308.773 2.782 20 0 DFADHM CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000736506342 598781911 /nfs/dbraw/zinc/78/19/11/598781911.db2.gz VBHKWXDXEAMRSC-UHFFFAOYSA-N -1 3 308.773 2.782 20 0 DFADHM CCCN(C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736469467 598782005 /nfs/dbraw/zinc/78/20/05/598782005.db2.gz PJFFHEIWHMJBFN-LLVKDONJSA-N -1 3 314.393 2.512 20 0 DFADHM CCCN(C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736469467 598782007 /nfs/dbraw/zinc/78/20/07/598782007.db2.gz PJFFHEIWHMJBFN-LLVKDONJSA-N -1 3 314.393 2.512 20 0 DFADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@@H]1CCc2ccccc21 ZINC000738233676 598788620 /nfs/dbraw/zinc/78/86/20/598788620.db2.gz FEJULTOWZHNCJQ-MRXNPFEDSA-N -1 3 320.352 2.640 20 0 DFADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@@H]1CCc2ccccc21 ZINC000738233676 598788622 /nfs/dbraw/zinc/78/86/22/598788622.db2.gz FEJULTOWZHNCJQ-MRXNPFEDSA-N -1 3 320.352 2.640 20 0 DFADHM Cc1nnc(NCCCCC(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000737521864 598798156 /nfs/dbraw/zinc/79/81/56/598798156.db2.gz RQDGTWPLZXHAJK-UHFFFAOYSA-N -1 3 303.414 2.902 20 0 DFADHM Cc1nnc(NCCCCC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000737521864 598798157 /nfs/dbraw/zinc/79/81/57/598798157.db2.gz RQDGTWPLZXHAJK-UHFFFAOYSA-N -1 3 303.414 2.902 20 0 DFADHM CC1(C)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736209598 598798349 /nfs/dbraw/zinc/79/83/49/598798349.db2.gz AUQVPMYANRHVIM-UHFFFAOYSA-N -1 3 300.366 2.521 20 0 DFADHM CC1(C)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736209598 598798350 /nfs/dbraw/zinc/79/83/50/598798350.db2.gz AUQVPMYANRHVIM-UHFFFAOYSA-N -1 3 300.366 2.521 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)C(C)C ZINC000735902940 598803533 /nfs/dbraw/zinc/80/35/33/598803533.db2.gz BDLFLHMXTWQVFA-LLVKDONJSA-N -1 3 317.393 2.885 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)C(C)C ZINC000735902940 598803535 /nfs/dbraw/zinc/80/35/35/598803535.db2.gz BDLFLHMXTWQVFA-LLVKDONJSA-N -1 3 317.393 2.885 20 0 DFADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000736214775 598815523 /nfs/dbraw/zinc/81/55/23/598815523.db2.gz UZLZYRMHLIKHJB-AWEZNQCLSA-N -1 3 306.373 2.849 20 0 DFADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000736214775 598815524 /nfs/dbraw/zinc/81/55/24/598815524.db2.gz UZLZYRMHLIKHJB-AWEZNQCLSA-N -1 3 306.373 2.849 20 0 DFADHM C[C@H](NC(=O)NC1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357502 599299252 /nfs/dbraw/zinc/29/92/52/599299252.db2.gz HFTQYEMKOLTXAZ-NSHDSACASA-N -1 3 314.393 2.560 20 0 DFADHM C[C@H](NC(=O)NC1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357502 599299254 /nfs/dbraw/zinc/29/92/54/599299254.db2.gz HFTQYEMKOLTXAZ-NSHDSACASA-N -1 3 314.393 2.560 20 0 DFADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCCF)n1 ZINC000737243514 599303910 /nfs/dbraw/zinc/30/39/10/599303910.db2.gz ACAYDNUBXXNRHI-UHFFFAOYSA-N -1 3 307.276 2.651 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC000735595027 599304667 /nfs/dbraw/zinc/30/46/67/599304667.db2.gz DIODRTQSKKHUEZ-AAEUAGOBSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC000735595027 599304669 /nfs/dbraw/zinc/30/46/69/599304669.db2.gz DIODRTQSKKHUEZ-AAEUAGOBSA-N -1 3 316.409 2.515 20 0 DFADHM CCN(C(=O)c1ccc(C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508462 599312838 /nfs/dbraw/zinc/31/28/38/599312838.db2.gz MFSKKKZJOXYZHF-UHFFFAOYSA-N -1 3 313.386 2.903 20 0 DFADHM CCN(C(=O)c1ccc(C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508462 599312841 /nfs/dbraw/zinc/31/28/41/599312841.db2.gz MFSKKKZJOXYZHF-UHFFFAOYSA-N -1 3 313.386 2.903 20 0 DFADHM Cc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737362811 599324294 /nfs/dbraw/zinc/32/42/94/599324294.db2.gz XRSUUYQIQCUCHR-UHFFFAOYSA-N -1 3 309.373 2.974 20 0 DFADHM Cc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737362811 599324297 /nfs/dbraw/zinc/32/42/97/599324297.db2.gz XRSUUYQIQCUCHR-UHFFFAOYSA-N -1 3 309.373 2.974 20 0 DFADHM Cc1cccc(NCCOc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737400548 599324314 /nfs/dbraw/zinc/32/43/14/599324314.db2.gz VLPXLKKJGRPPMT-UHFFFAOYSA-N -1 3 309.373 2.974 20 0 DFADHM Cc1cccc(NCCOc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737400548 599324317 /nfs/dbraw/zinc/32/43/17/599324317.db2.gz VLPXLKKJGRPPMT-UHFFFAOYSA-N -1 3 309.373 2.974 20 0 DFADHM Cc1noc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737546156 599326486 /nfs/dbraw/zinc/32/64/86/599326486.db2.gz MWGQGROHSOAAPW-MRVPVSSYSA-N -1 3 302.363 2.553 20 0 DFADHM Cc1noc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737546156 599326490 /nfs/dbraw/zinc/32/64/90/599326490.db2.gz MWGQGROHSOAAPW-MRVPVSSYSA-N -1 3 302.363 2.553 20 0 DFADHM C[C@@H](SCC(=O)NC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187965 599330574 /nfs/dbraw/zinc/33/05/74/599330574.db2.gz FBRTUEYBNYOFFA-SNVBAGLBSA-N -1 3 319.434 2.576 20 0 DFADHM C[C@@H](SCC(=O)NC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187965 599330577 /nfs/dbraw/zinc/33/05/77/599330577.db2.gz FBRTUEYBNYOFFA-SNVBAGLBSA-N -1 3 319.434 2.576 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736237085 599341497 /nfs/dbraw/zinc/34/14/97/599341497.db2.gz MKOYBEZDJWXLGM-XUJVJEKNSA-N -1 3 311.389 2.660 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736237085 599341498 /nfs/dbraw/zinc/34/14/98/599341498.db2.gz MKOYBEZDJWXLGM-XUJVJEKNSA-N -1 3 311.389 2.660 20 0 DFADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000820557341 599344210 /nfs/dbraw/zinc/34/42/10/599344210.db2.gz YOLJFPWKIUCOFE-VIFPVBQESA-N -1 3 306.391 2.689 20 0 DFADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000820557341 599344213 /nfs/dbraw/zinc/34/42/13/599344213.db2.gz YOLJFPWKIUCOFE-VIFPVBQESA-N -1 3 306.391 2.689 20 0 DFADHM CCCC[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)OC ZINC000821042986 599347266 /nfs/dbraw/zinc/34/72/66/599347266.db2.gz JXMHWLWVMKNUON-LBPRGKRZSA-N -1 3 306.391 2.691 20 0 DFADHM CCCC[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)OC ZINC000821042986 599347268 /nfs/dbraw/zinc/34/72/68/599347268.db2.gz JXMHWLWVMKNUON-LBPRGKRZSA-N -1 3 306.391 2.691 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(F)c1F ZINC000821736490 607371023 /nfs/dbraw/zinc/37/10/23/607371023.db2.gz LBLLJORRFHFODE-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(F)c1F ZINC000821736490 607371025 /nfs/dbraw/zinc/37/10/25/607371025.db2.gz LBLLJORRFHFODE-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM C[C@@H]1CCCN(c2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000736276370 599360916 /nfs/dbraw/zinc/36/09/16/599360916.db2.gz GTSIJBQLOVBTLZ-SECBINFHSA-N -1 3 322.210 2.866 20 0 DFADHM C[C@@H]1CCCN(c2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000736276370 599360917 /nfs/dbraw/zinc/36/09/17/599360917.db2.gz GTSIJBQLOVBTLZ-SECBINFHSA-N -1 3 322.210 2.866 20 0 DFADHM C[C@@H](CCC(C)(C)C)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735984804 599380059 /nfs/dbraw/zinc/38/00/59/599380059.db2.gz HAMVPNOMNTUYKD-LBPRGKRZSA-N -1 3 315.421 2.740 20 0 DFADHM C[C@@H](CCC(C)(C)C)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735984804 599380061 /nfs/dbraw/zinc/38/00/61/599380061.db2.gz HAMVPNOMNTUYKD-LBPRGKRZSA-N -1 3 315.421 2.740 20 0 DFADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)c(F)c1 ZINC000820432127 599389906 /nfs/dbraw/zinc/38/99/06/599389906.db2.gz MISCCWOUYCHAET-MRVPVSSYSA-N -1 3 305.288 2.589 20 0 DFADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(F)c(F)c1 ZINC000820432127 599389908 /nfs/dbraw/zinc/38/99/08/599389908.db2.gz MISCCWOUYCHAET-MRVPVSSYSA-N -1 3 305.288 2.589 20 0 DFADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(Cl)c1 ZINC000820432834 599390308 /nfs/dbraw/zinc/39/03/08/599390308.db2.gz SMQCDBFWKRBKEL-SECBINFHSA-N -1 3 303.753 2.964 20 0 DFADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(Cl)cc1 ZINC000820433006 599390422 /nfs/dbraw/zinc/39/04/22/599390422.db2.gz VAZKCGJUHIZRNN-VIFPVBQESA-N -1 3 303.753 2.964 20 0 DFADHM CCOc1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821417283 599396339 /nfs/dbraw/zinc/39/63/39/599396339.db2.gz KMJODGWNPPJQOA-LLVKDONJSA-N -1 3 313.361 2.709 20 0 DFADHM Cc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cn1 ZINC000737342109 599411428 /nfs/dbraw/zinc/41/14/28/599411428.db2.gz KZKBAWMNDGKXCA-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cn1 ZINC000737342109 599411430 /nfs/dbraw/zinc/41/14/30/599411430.db2.gz KZKBAWMNDGKXCA-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM CN(Cc1cscn1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736830902 599419117 /nfs/dbraw/zinc/41/91/17/599419117.db2.gz CYIGFEKMOBKAGM-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CN(Cc1cscn1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736830902 599419118 /nfs/dbraw/zinc/41/91/18/599419118.db2.gz CYIGFEKMOBKAGM-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccn1 ZINC000736140495 599420075 /nfs/dbraw/zinc/42/00/75/599420075.db2.gz WSIMYOTYEWSYOX-NSHDSACASA-N -1 3 317.356 2.983 20 0 DFADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccn1 ZINC000736140495 599420076 /nfs/dbraw/zinc/42/00/76/599420076.db2.gz WSIMYOTYEWSYOX-NSHDSACASA-N -1 3 317.356 2.983 20 0 DFADHM COc1cc(CNc2c(Cl)cccc2-c2nnn[n-]2)ccn1 ZINC000821717475 599470109 /nfs/dbraw/zinc/47/01/09/599470109.db2.gz OKPPPRDNERDNEP-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1cc(CNc2c(Cl)cccc2-c2nn[n-]n2)ccn1 ZINC000821717475 599470110 /nfs/dbraw/zinc/47/01/10/599470110.db2.gz OKPPPRDNERDNEP-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM C[C@@H](NC(=O)N1CCCC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820351091 599470341 /nfs/dbraw/zinc/47/03/41/599470341.db2.gz MODBVYDNEYHMTH-NWDGAFQWSA-N -1 3 314.393 2.512 20 0 DFADHM C[C@@H](NC(=O)N1CCCC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820351091 599470343 /nfs/dbraw/zinc/47/03/43/599470343.db2.gz MODBVYDNEYHMTH-NWDGAFQWSA-N -1 3 314.393 2.512 20 0 DFADHM CC[C@H](C)CN(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820869814 599473916 /nfs/dbraw/zinc/47/39/16/599473916.db2.gz IZTKSDJMIOOLSW-RYUDHWBXSA-N -1 3 316.409 2.615 20 0 DFADHM CC[C@H](C)CN(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820869814 599473918 /nfs/dbraw/zinc/47/39/18/599473918.db2.gz IZTKSDJMIOOLSW-RYUDHWBXSA-N -1 3 316.409 2.615 20 0 DFADHM CCCCN(CC)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821060396 599479861 /nfs/dbraw/zinc/47/98/61/599479861.db2.gz DGQFEVIICRWSNE-GFCCVEGCSA-N -1 3 316.409 2.759 20 0 DFADHM CCCCN(CC)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821060396 599479864 /nfs/dbraw/zinc/47/98/64/599479864.db2.gz DGQFEVIICRWSNE-GFCCVEGCSA-N -1 3 316.409 2.759 20 0 DFADHM CN(CC1CC1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821596910 599485301 /nfs/dbraw/zinc/48/53/01/599485301.db2.gz YGKKWCVUXXXXDK-UHFFFAOYSA-N -1 3 316.315 2.539 20 0 DFADHM CN(CC1CC1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821596910 599485303 /nfs/dbraw/zinc/48/53/03/599485303.db2.gz YGKKWCVUXXXXDK-UHFFFAOYSA-N -1 3 316.315 2.539 20 0 DFADHM CCCN(CCC)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821100218 599486969 /nfs/dbraw/zinc/48/69/69/599486969.db2.gz WFZBWTDPFSVUTP-GFCCVEGCSA-N -1 3 316.409 2.759 20 0 DFADHM CCCN(CCC)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821100218 599486971 /nfs/dbraw/zinc/48/69/71/599486971.db2.gz WFZBWTDPFSVUTP-GFCCVEGCSA-N -1 3 316.409 2.759 20 0 DFADHM CC(C)(C)CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000819913738 599492569 /nfs/dbraw/zinc/49/25/69/599492569.db2.gz DNNSHNNGTHGAHI-UHFFFAOYSA-N -1 3 316.796 2.948 20 0 DFADHM CC(C)(C)CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000819913738 599492571 /nfs/dbraw/zinc/49/25/71/599492571.db2.gz DNNSHNNGTHGAHI-UHFFFAOYSA-N -1 3 316.796 2.948 20 0 DFADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccoc3)c2c1 ZINC000822196610 599493358 /nfs/dbraw/zinc/49/33/58/599493358.db2.gz PXDJLHYDIFYGHP-UHFFFAOYSA-N -1 3 320.356 2.659 20 0 DFADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccoc3)c2c1 ZINC000822196610 599493360 /nfs/dbraw/zinc/49/33/60/599493360.db2.gz PXDJLHYDIFYGHP-UHFFFAOYSA-N -1 3 320.356 2.659 20 0 DFADHM Oc1cccc(CCNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000823733366 599504142 /nfs/dbraw/zinc/50/41/42/599504142.db2.gz VNITZOXQYYDION-UHFFFAOYSA-N -1 3 315.764 2.880 20 0 DFADHM Oc1cccc(CCNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000823733366 599504144 /nfs/dbraw/zinc/50/41/44/599504144.db2.gz VNITZOXQYYDION-UHFFFAOYSA-N -1 3 315.764 2.880 20 0 DFADHM Fc1ccc(NCCc2cc(F)cc(F)c2)c(-c2nnn[n-]2)c1 ZINC000822753073 599509365 /nfs/dbraw/zinc/50/93/65/599509365.db2.gz BVRBEQYREJFJQR-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1ccc(NCCc2cc(F)cc(F)c2)c(-c2nn[n-]n2)c1 ZINC000822753073 599509366 /nfs/dbraw/zinc/50/93/66/599509366.db2.gz BVRBEQYREJFJQR-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM CCC[C@H](C)CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821015457 599519500 /nfs/dbraw/zinc/51/95/00/599519500.db2.gz QFTVXNXTXWAFRV-NWDGAFQWSA-N -1 3 301.394 2.870 20 0 DFADHM CCC[C@H](C)CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821015457 599519502 /nfs/dbraw/zinc/51/95/02/599519502.db2.gz QFTVXNXTXWAFRV-NWDGAFQWSA-N -1 3 301.394 2.870 20 0 DFADHM CO[C@H](C)CCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736960635 599525396 /nfs/dbraw/zinc/52/53/96/599525396.db2.gz IBNOATPQPJIAKH-MRVPVSSYSA-N -1 3 315.299 2.722 20 0 DFADHM Cc1cccc(CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822299412 599535025 /nfs/dbraw/zinc/53/50/25/599535025.db2.gz IEVQZGHAWCMACJ-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1cccc(CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822299412 599535029 /nfs/dbraw/zinc/53/50/29/599535029.db2.gz IEVQZGHAWCMACJ-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM C[C@H](NC(=O)CCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329738 599535854 /nfs/dbraw/zinc/53/58/54/599535854.db2.gz ZHYZAJAQJYDXPY-ZDUSSCGKSA-N -1 3 321.384 2.677 20 0 DFADHM C[C@H](NC(=O)CCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329738 599535857 /nfs/dbraw/zinc/53/58/57/599535857.db2.gz ZHYZAJAQJYDXPY-ZDUSSCGKSA-N -1 3 321.384 2.677 20 0 DFADHM Cc1ccsc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822379965 599540771 /nfs/dbraw/zinc/54/07/71/599540771.db2.gz XKGZCWUUVAQVGM-JTQLQIEISA-N -1 3 313.386 2.728 20 0 DFADHM Cc1ccsc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822379965 599540772 /nfs/dbraw/zinc/54/07/72/599540772.db2.gz XKGZCWUUVAQVGM-JTQLQIEISA-N -1 3 313.386 2.728 20 0 DFADHM Fc1ccc(N[C@H]2CCN(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822778485 599542576 /nfs/dbraw/zinc/54/25/76/599542576.db2.gz IYGHYHVVDIUMFY-ZDUSSCGKSA-N -1 3 324.363 2.697 20 0 DFADHM Fc1ccc(N[C@H]2CCN(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822778485 599542578 /nfs/dbraw/zinc/54/25/78/599542578.db2.gz IYGHYHVVDIUMFY-ZDUSSCGKSA-N -1 3 324.363 2.697 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccsc1 ZINC000735558445 599544274 /nfs/dbraw/zinc/54/42/74/599544274.db2.gz BLNXNNJINGDNIF-MRVPVSSYSA-N -1 3 317.349 2.810 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccsc1 ZINC000735558445 599544276 /nfs/dbraw/zinc/54/42/76/599544276.db2.gz BLNXNNJINGDNIF-MRVPVSSYSA-N -1 3 317.349 2.810 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccsc1 ZINC000737289068 599544981 /nfs/dbraw/zinc/54/49/81/599544981.db2.gz OIVFGUYUAOAAHE-JTQLQIEISA-N -1 3 313.386 2.979 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccsc1 ZINC000737289068 599544983 /nfs/dbraw/zinc/54/49/83/599544983.db2.gz OIVFGUYUAOAAHE-JTQLQIEISA-N -1 3 313.386 2.979 20 0 DFADHM CC[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000820995617 599549246 /nfs/dbraw/zinc/54/92/46/599549246.db2.gz VCESJJDPWBCWTE-NXEZZACHSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000820995617 599549248 /nfs/dbraw/zinc/54/92/48/599549248.db2.gz VCESJJDPWBCWTE-NXEZZACHSA-N -1 3 307.785 2.524 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccncc1Cl ZINC000821609561 599559408 /nfs/dbraw/zinc/55/94/08/599559408.db2.gz BYVSPJLMNFPUDH-UHFFFAOYSA-N -1 3 314.780 2.547 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccncc1Cl ZINC000821609561 599559409 /nfs/dbraw/zinc/55/94/09/599559409.db2.gz BYVSPJLMNFPUDH-UHFFFAOYSA-N -1 3 314.780 2.547 20 0 DFADHM CCN(Cc1ncc(C)o1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230549 599567319 /nfs/dbraw/zinc/56/73/19/599567319.db2.gz NBGVKRPAYBBXEQ-GFCCVEGCSA-N -1 3 312.377 2.746 20 0 DFADHM CCN(Cc1ncc(C)o1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230549 599567321 /nfs/dbraw/zinc/56/73/21/599567321.db2.gz NBGVKRPAYBBXEQ-GFCCVEGCSA-N -1 3 312.377 2.746 20 0 DFADHM CC(C)CC[C@@](C)(O)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000820073125 599570138 /nfs/dbraw/zinc/57/01/38/599570138.db2.gz QOVBJWSVRYCHEA-OAHLLOKOSA-N -1 3 307.373 2.605 20 0 DFADHM CC(C)CC[C@@](C)(O)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000820073125 599570140 /nfs/dbraw/zinc/57/01/40/599570140.db2.gz QOVBJWSVRYCHEA-OAHLLOKOSA-N -1 3 307.373 2.605 20 0 DFADHM Cc1ccc([C@H](O)CNc2c(Cl)cccc2-c2nnn[n-]2)o1 ZINC000822230742 599571871 /nfs/dbraw/zinc/57/18/71/599571871.db2.gz OZJSLLOSMJICHM-LLVKDONJSA-N -1 3 319.752 2.567 20 0 DFADHM Cc1ccc([C@H](O)CNc2c(Cl)cccc2-c2nn[n-]n2)o1 ZINC000822230742 599571872 /nfs/dbraw/zinc/57/18/72/599571872.db2.gz OZJSLLOSMJICHM-LLVKDONJSA-N -1 3 319.752 2.567 20 0 DFADHM COc1ccc([C@H](C)CCNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000821777903 599588683 /nfs/dbraw/zinc/58/86/83/599588683.db2.gz OFIBFRIUONMMCK-GFCCVEGCSA-N -1 3 324.388 2.876 20 0 DFADHM COc1ccc([C@H](C)CCNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000821777903 599588685 /nfs/dbraw/zinc/58/86/85/599588685.db2.gz OFIBFRIUONMMCK-GFCCVEGCSA-N -1 3 324.388 2.876 20 0 DFADHM C[C@@H](c1cccs1)[S@@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736202679 599618836 /nfs/dbraw/zinc/61/88/36/599618836.db2.gz JIHNQPGTZJWJPG-CWKPULSASA-N -1 3 318.427 2.938 20 0 DFADHM C[C@@H](c1cccs1)[S@@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736202679 599618838 /nfs/dbraw/zinc/61/88/38/599618838.db2.gz JIHNQPGTZJWJPG-CWKPULSASA-N -1 3 318.427 2.938 20 0 DFADHM C/C(=C/C(=O)OCc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000819763774 599621466 /nfs/dbraw/zinc/62/14/66/599621466.db2.gz CXGGBAQRZFIPKI-LUAWRHEFSA-N -1 3 300.362 2.902 20 0 DFADHM C/C(=C/C(=O)OCc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000819763774 599621467 /nfs/dbraw/zinc/62/14/67/599621467.db2.gz CXGGBAQRZFIPKI-LUAWRHEFSA-N -1 3 300.362 2.902 20 0 DFADHM C/C(=C\C(=O)OCc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000819766117 599623661 /nfs/dbraw/zinc/62/36/61/599623661.db2.gz VMXVABPMZTWQAV-DHZHZOJOSA-N -1 3 300.362 2.902 20 0 DFADHM C/C(=C\C(=O)OCc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819766117 599623662 /nfs/dbraw/zinc/62/36/62/599623662.db2.gz VMXVABPMZTWQAV-DHZHZOJOSA-N -1 3 300.362 2.902 20 0 DFADHM CCCCOCCCCOC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821072070 599626112 /nfs/dbraw/zinc/62/61/12/599626112.db2.gz QPODHEMIRAIOFZ-UHFFFAOYSA-N -1 3 318.377 2.620 20 0 DFADHM CCCCOCCCCOC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821072070 599626113 /nfs/dbraw/zinc/62/61/13/599626113.db2.gz QPODHEMIRAIOFZ-UHFFFAOYSA-N -1 3 318.377 2.620 20 0 DFADHM CCC(C)(C)COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820847383 599627797 /nfs/dbraw/zinc/62/77/97/599627797.db2.gz CRONHUUVIZKYPP-LLVKDONJSA-N -1 3 318.377 2.613 20 0 DFADHM CCC(C)(C)COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820847383 599627798 /nfs/dbraw/zinc/62/77/98/599627798.db2.gz CRONHUUVIZKYPP-LLVKDONJSA-N -1 3 318.377 2.613 20 0 DFADHM COc1cccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859210 599628234 /nfs/dbraw/zinc/62/82/34/599628234.db2.gz MPAIKSUKRYMCDB-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM COc1cccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859210 599628235 /nfs/dbraw/zinc/62/82/35/599628235.db2.gz MPAIKSUKRYMCDB-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM O=C(Nc1c(F)cc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000823289078 599634763 /nfs/dbraw/zinc/63/47/63/599634763.db2.gz AQFOFVVASWPHHR-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1c(F)cc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000823289078 599634764 /nfs/dbraw/zinc/63/47/64/599634764.db2.gz AQFOFVVASWPHHR-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM C[C@@H]1COc2ccccc2N1Cc1cccc(-c2nnn[n-]2)c1 ZINC000820813407 599643334 /nfs/dbraw/zinc/64/33/34/599643334.db2.gz GJSYYHWYFWCAFI-GFCCVEGCSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@@H]1COc2ccccc2N1Cc1cccc(-c2nn[n-]n2)c1 ZINC000820813407 599643335 /nfs/dbraw/zinc/64/33/35/599643335.db2.gz GJSYYHWYFWCAFI-GFCCVEGCSA-N -1 3 307.357 2.654 20 0 DFADHM Cc1c(F)cccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822034524 599657529 /nfs/dbraw/zinc/65/75/29/599657529.db2.gz GBRLLNQGIPLIHT-KTKRTIGZSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1c(F)cccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822034524 599657530 /nfs/dbraw/zinc/65/75/30/599657530.db2.gz GBRLLNQGIPLIHT-KTKRTIGZSA-N -1 3 323.331 2.966 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820690936 599664002 /nfs/dbraw/zinc/66/40/02/599664002.db2.gz UCXKOCUTRJFNOC-JQWIXIFHSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820690936 599664003 /nfs/dbraw/zinc/66/40/03/599664003.db2.gz UCXKOCUTRJFNOC-JQWIXIFHSA-N -1 3 318.352 2.875 20 0 DFADHM OCCC1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCCC1 ZINC000823718211 599687850 /nfs/dbraw/zinc/68/78/50/599687850.db2.gz SPALLSZPZZJPHU-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM OCCC1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCCC1 ZINC000823718211 599687851 /nfs/dbraw/zinc/68/78/51/599687851.db2.gz SPALLSZPZZJPHU-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM CCC(CC)(CCO)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000820887515 599688144 /nfs/dbraw/zinc/68/81/44/599688144.db2.gz FIPYQMQNIQIFHS-UHFFFAOYSA-N -1 3 307.373 2.607 20 0 DFADHM CCC(CC)(CCO)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000820887515 599688145 /nfs/dbraw/zinc/68/81/45/599688145.db2.gz FIPYQMQNIQIFHS-UHFFFAOYSA-N -1 3 307.373 2.607 20 0 DFADHM CO[C@]1(C)C[C@@H](Nc2ccc(F)cc2-c2nnn[n-]2)C1(C)C ZINC000821677668 599688431 /nfs/dbraw/zinc/68/84/31/599688431.db2.gz BSSJYJKNQREBKB-IUODEOHRSA-N -1 3 305.357 2.621 20 0 DFADHM CO[C@]1(C)C[C@@H](Nc2ccc(F)cc2-c2nn[n-]n2)C1(C)C ZINC000821677668 599688432 /nfs/dbraw/zinc/68/84/32/599688432.db2.gz BSSJYJKNQREBKB-IUODEOHRSA-N -1 3 305.357 2.621 20 0 DFADHM CCC1(CNc2c(F)cc(-c3nnn[n-]3)cc2F)CCOCC1 ZINC000820962264 599688836 /nfs/dbraw/zinc/68/88/36/599688836.db2.gz LVDPYTSYZQZPKQ-UHFFFAOYSA-N -1 3 323.347 2.764 20 0 DFADHM CCC1(CNc2c(F)cc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC000820962264 599688837 /nfs/dbraw/zinc/68/88/37/599688837.db2.gz LVDPYTSYZQZPKQ-UHFFFAOYSA-N -1 3 323.347 2.764 20 0 DFADHM C[C@H](NC(=O)C1C(C)(C)C1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820322156 599696326 /nfs/dbraw/zinc/69/63/26/599696326.db2.gz RJZRTKGWNUPFOV-JTQLQIEISA-N -1 3 313.405 2.726 20 0 DFADHM C[C@H](NC(=O)C1C(C)(C)C1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820322156 599696327 /nfs/dbraw/zinc/69/63/27/599696327.db2.gz RJZRTKGWNUPFOV-JTQLQIEISA-N -1 3 313.405 2.726 20 0 DFADHM C[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820322157 599696442 /nfs/dbraw/zinc/69/64/42/599696442.db2.gz RJZRTKGWNUPFOV-SNVBAGLBSA-N -1 3 313.405 2.726 20 0 DFADHM C[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820322157 599696443 /nfs/dbraw/zinc/69/64/43/599696443.db2.gz RJZRTKGWNUPFOV-SNVBAGLBSA-N -1 3 313.405 2.726 20 0 DFADHM CC(C)[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N1CCCCC1 ZINC000736348082 599723545 /nfs/dbraw/zinc/72/35/45/599723545.db2.gz SGGBHPHOPOJDET-HNNXBMFYSA-N -1 3 304.390 2.834 20 0 DFADHM CN(C(=O)CN(C1CC1)C1CCCC1)c1ccccc1C(=O)[O-] ZINC000737324687 599791280 /nfs/dbraw/zinc/79/12/80/599791280.db2.gz UUDXBNZWQGVHCV-UHFFFAOYSA-N -1 3 316.401 2.755 20 0 DFADHM Cc1cscc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826320813 607396468 /nfs/dbraw/zinc/39/64/68/607396468.db2.gz FXYPYGVLFDNJCC-UHFFFAOYSA-N -1 3 314.374 2.558 20 0 DFADHM Cc1cscc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826320813 607396470 /nfs/dbraw/zinc/39/64/70/607396470.db2.gz FXYPYGVLFDNJCC-UHFFFAOYSA-N -1 3 314.374 2.558 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cccs1 ZINC000826252647 607400240 /nfs/dbraw/zinc/40/02/40/607400240.db2.gz MOISFXWZRAAXMH-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cccs1 ZINC000826252647 607400242 /nfs/dbraw/zinc/40/02/42/607400242.db2.gz MOISFXWZRAAXMH-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM COc1ccc([C@H](NCc2ccc(OC)c(F)c2)C(=O)[O-])cc1 ZINC000737970614 599861758 /nfs/dbraw/zinc/86/17/58/599861758.db2.gz NCRXZYSMIUZMNC-INIZCTEOSA-N -1 3 319.332 2.758 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@@H](C)C1CC1 ZINC000826253305 607405293 /nfs/dbraw/zinc/40/52/93/607405293.db2.gz LLJRIEGUDQCKHA-LLVKDONJSA-N -1 3 300.362 2.655 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@@H](C)C1CC1 ZINC000826253305 607405294 /nfs/dbraw/zinc/40/52/94/607405294.db2.gz LLJRIEGUDQCKHA-LLVKDONJSA-N -1 3 300.362 2.655 20 0 DFADHM CCC(=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C)CC ZINC000825028557 607406008 /nfs/dbraw/zinc/40/60/08/607406008.db2.gz JBGQBROOTYZJIK-UHFFFAOYSA-N -1 3 300.362 2.965 20 0 DFADHM CCC(=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C)CC ZINC000825028557 607406009 /nfs/dbraw/zinc/40/60/09/607406009.db2.gz JBGQBROOTYZJIK-UHFFFAOYSA-N -1 3 300.362 2.965 20 0 DFADHM Cc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826286702 607410162 /nfs/dbraw/zinc/41/01/62/607410162.db2.gz MTUPMLBWARJRCJ-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM Cc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826286702 607410164 /nfs/dbraw/zinc/41/01/64/607410164.db2.gz MTUPMLBWARJRCJ-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccs1 ZINC000826254755 607410295 /nfs/dbraw/zinc/41/02/95/607410295.db2.gz ZNYVGYBUUDISCA-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccs1 ZINC000826254755 607410296 /nfs/dbraw/zinc/41/02/96/607410296.db2.gz ZNYVGYBUUDISCA-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1ccccc1 ZINC000826253116 607413321 /nfs/dbraw/zinc/41/33/21/607413321.db2.gz FWNNQAIMHNULNT-UHFFFAOYSA-N -1 3 322.368 2.851 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1ccccc1 ZINC000826253116 607413323 /nfs/dbraw/zinc/41/33/23/607413323.db2.gz FWNNQAIMHNULNT-UHFFFAOYSA-N -1 3 322.368 2.851 20 0 DFADHM O=C([O-])C[C@@H]1CCCCN1Cn1ccc(-c2ccc(F)cc2)n1 ZINC000739639269 600027686 /nfs/dbraw/zinc/02/76/86/600027686.db2.gz JQQKVIAUBINYOO-HNNXBMFYSA-N -1 3 317.364 2.976 20 0 DFADHM Cc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826282119 607416112 /nfs/dbraw/zinc/41/61/12/607416112.db2.gz YSOYLWQKZKXFJA-UHFFFAOYSA-N -1 3 319.368 2.594 20 0 DFADHM Cc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826282119 607416114 /nfs/dbraw/zinc/41/61/14/607416114.db2.gz YSOYLWQKZKXFJA-UHFFFAOYSA-N -1 3 319.368 2.594 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](C)C(C)(C)C ZINC000821736392 607417917 /nfs/dbraw/zinc/41/79/17/607417917.db2.gz IVVIDDLGXPHGAZ-SNVBAGLBSA-N -1 3 318.377 2.601 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](C)C(C)(C)C ZINC000821736392 607417919 /nfs/dbraw/zinc/41/79/19/607417919.db2.gz IVVIDDLGXPHGAZ-SNVBAGLBSA-N -1 3 318.377 2.601 20 0 DFADHM Cc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826295820 607436455 /nfs/dbraw/zinc/43/64/55/607436455.db2.gz ZEQDFCOQNZKQGK-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826295820 607436457 /nfs/dbraw/zinc/43/64/57/607436457.db2.gz ZEQDFCOQNZKQGK-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824457146 607439581 /nfs/dbraw/zinc/43/95/81/607439581.db2.gz FTBDXFPHLUOONP-ZDUSSCGKSA-N -1 3 321.384 2.708 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824457146 607439582 /nfs/dbraw/zinc/43/95/82/607439582.db2.gz FTBDXFPHLUOONP-ZDUSSCGKSA-N -1 3 321.384 2.708 20 0 DFADHM CC(C)c1ccc(NC(=O)CN(CCC(=O)[O-])C(C)C)cc1 ZINC000314595306 600394821 /nfs/dbraw/zinc/39/48/21/600394821.db2.gz ROWNITUKFWTGOP-UHFFFAOYSA-N -1 3 306.406 2.934 20 0 DFADHM CN(C(=O)[C@@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812565 607441240 /nfs/dbraw/zinc/44/12/40/607441240.db2.gz NABQOWMKMPLIGK-MRXNPFEDSA-N -1 3 319.368 2.560 20 0 DFADHM CN(C(=O)[C@@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812565 607441242 /nfs/dbraw/zinc/44/12/42/607441242.db2.gz NABQOWMKMPLIGK-MRXNPFEDSA-N -1 3 319.368 2.560 20 0 DFADHM CC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736160255 600420623 /nfs/dbraw/zinc/42/06/23/600420623.db2.gz UXYPICPZZORMKZ-MRXNPFEDSA-N -1 3 316.332 2.700 20 0 DFADHM COCc1cc(CN[C@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000737828856 600435179 /nfs/dbraw/zinc/43/51/79/600435179.db2.gz ALTOPUOKMMSVFS-INIZCTEOSA-N -1 3 303.333 2.888 20 0 DFADHM CCN(Cc1cc(C(=O)[O-])co1)C[C@@H](O)c1ccc(C)cc1 ZINC000829719117 600849586 /nfs/dbraw/zinc/84/95/86/600849586.db2.gz ZBLMAWQYOUHXRL-MRXNPFEDSA-N -1 3 303.358 2.842 20 0 DFADHM CCN(Cc1ccc(C(=O)[O-])o1)C[C@@H](O)c1ccc(C)cc1 ZINC000829718670 600849832 /nfs/dbraw/zinc/84/98/32/600849832.db2.gz MVPBSGXFIJKZDH-OAHLLOKOSA-N -1 3 303.358 2.842 20 0 DFADHM CN(C)Cc1ccccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000320680174 600887621 /nfs/dbraw/zinc/88/76/21/600887621.db2.gz LBRYXYOYLRTAOC-QWHCGFSZSA-N -1 3 304.390 2.578 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N(CC(=O)N(C)c2ccccc2C(=O)[O-])C1 ZINC000736773185 600978031 /nfs/dbraw/zinc/97/80/31/600978031.db2.gz AZQIZDQTKSABQF-ZIAGYGMSSA-N -1 3 318.417 2.858 20 0 DFADHM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCN(CC2CCC2)CC1 ZINC000833172117 600986799 /nfs/dbraw/zinc/98/67/99/600986799.db2.gz SEENMAGWCDZYCV-MRXNPFEDSA-N -1 3 322.836 2.883 20 0 DFADHM Cc1oc(-c2ccccc2)nc1CN[C@](C)(C(=O)[O-])C1CC1 ZINC000833024102 601041023 /nfs/dbraw/zinc/04/10/23/601041023.db2.gz RFVKNYITNRXNPK-KRWDZBQOSA-N -1 3 300.358 2.993 20 0 DFADHM C/C(=C\CN1CCC(C(=O)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000825736246 601052395 /nfs/dbraw/zinc/05/23/95/601052395.db2.gz WOQULPZSNRPRPK-VGOFMYFVSA-N -1 3 301.386 2.921 20 0 DFADHM CCn1ncc2c1CCC[C@H]2N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737312537 601102280 /nfs/dbraw/zinc/10/22/80/601102280.db2.gz 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2.628 20 0 DFADHM CCCCC[C@H](NC(=O)c1cccc(CN(C)C)c1)C(=O)[O-] ZINC000829333943 601747239 /nfs/dbraw/zinc/74/72/39/601747239.db2.gz WVSONSWDBLWQIX-HNNXBMFYSA-N -1 3 306.406 2.512 20 0 DFADHM CCCCC[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(=O)[O-] ZINC000829333944 601747336 /nfs/dbraw/zinc/74/73/36/601747336.db2.gz WVSONSWDBLWQIX-OAHLLOKOSA-N -1 3 306.406 2.512 20 0 DFADHM Cc1cnn([C@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)c1 ZINC000832986700 601824511 /nfs/dbraw/zinc/82/45/11/601824511.db2.gz JJQDTFOWZHAGSC-ZDUSSCGKSA-N -1 3 305.403 2.788 20 0 DFADHM CN(CC(F)F)C1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000830706483 601834740 /nfs/dbraw/zinc/83/47/40/601834740.db2.gz MRHNSTRVMQBWCU-UHFFFAOYSA-N -1 3 318.389 2.608 20 0 DFADHM CN(CCOCC1CC1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830789212 601899479 /nfs/dbraw/zinc/89/94/79/601899479.db2.gz JMJURPLLYVGLOD-AWEZNQCLSA-N -1 3 317.307 2.588 20 0 DFADHM O=C([O-])NC[C@H]1CCN(Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000740644439 601940447 /nfs/dbraw/zinc/94/04/47/601940447.db2.gz 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CCc1oc(C(=O)[O-])cc1CN1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000833678907 604473093 /nfs/dbraw/zinc/47/30/93/604473093.db2.gz RFBGKELNQKHYAJ-GXTWGEPZSA-N -1 3 317.389 2.820 20 0 DFADHM C/C(=C\C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1)C(=O)[O-] ZINC000833382123 604473832 /nfs/dbraw/zinc/47/38/32/604473832.db2.gz GZKCJPWFIGOBID-TZIYXEQSSA-N -1 3 312.373 2.640 20 0 DFADHM C/C(=C\C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1)C(=O)[O-] ZINC000833382123 604473834 /nfs/dbraw/zinc/47/38/34/604473834.db2.gz GZKCJPWFIGOBID-TZIYXEQSSA-N -1 3 312.373 2.640 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000826243954 607694691 /nfs/dbraw/zinc/69/46/91/607694691.db2.gz BTAMHYUXGWTDKA-DGCLKSJQSA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000826243954 607694692 /nfs/dbraw/zinc/69/46/92/607694692.db2.gz BTAMHYUXGWTDKA-DGCLKSJQSA-N -1 3 313.405 2.826 20 0 DFADHM C[C@@H]1CCC[C@H](NC(=O)CNC2(C(=O)[O-])CCCCCC2)[C@@H]1C ZINC000833611197 604482104 /nfs/dbraw/zinc/48/21/04/604482104.db2.gz WZZMEMBRKNHLPN-KFWWJZLASA-N -1 3 324.465 2.695 20 0 DFADHM CC(C)COC[C@@H](NCC1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000824275654 604505283 /nfs/dbraw/zinc/50/52/83/604505283.db2.gz ILRAJLCSFZZJLO-OAHLLOKOSA-N -1 3 324.421 2.973 20 0 DFADHM CC[C@@H](C)CN(CC)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825059887 607699554 /nfs/dbraw/zinc/69/95/54/607699554.db2.gz LWRDEPOLBNJVNQ-LLVKDONJSA-N -1 3 301.394 2.683 20 0 DFADHM CC[C@@H](C)CN(CC)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825059887 607699556 /nfs/dbraw/zinc/69/95/56/607699556.db2.gz LWRDEPOLBNJVNQ-LLVKDONJSA-N -1 3 301.394 2.683 20 0 DFADHM COc1cccc(CN2CCC[C@@H]2CC(=O)[O-])c1OC(F)F ZINC000833735824 604661554 /nfs/dbraw/zinc/66/15/54/604661554.db2.gz XGNUICMTZPXUEK-LLVKDONJSA-N -1 3 315.316 2.736 20 0 DFADHM COc1ccccc1[C@H](CN[C@H](C)c1ccoc1)NC(=O)[O-] ZINC000829596867 604759378 /nfs/dbraw/zinc/75/93/78/604759378.db2.gz CEVKCUYLSMOUNA-RISCZKNCSA-N -1 3 304.346 2.948 20 0 DFADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000322127771 604944832 /nfs/dbraw/zinc/94/48/32/604944832.db2.gz HOPAHEUDZDKDOH-ILXRZTDVSA-N -1 3 324.465 2.504 20 0 DFADHM COc1ccc([C@H](N[C@@H](C(=O)[O-])c2cccnc2)C2CC2)cc1 ZINC000832245654 604973168 /nfs/dbraw/zinc/97/31/68/604973168.db2.gz NLMODKNWHVHRLD-IAGOWNOFSA-N -1 3 312.369 2.957 20 0 DFADHM CN(C)Cc1ccccc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000833689652 605081531 /nfs/dbraw/zinc/08/15/31/605081531.db2.gz MYMCGNMHDAMBLE-UHFFFAOYSA-N -1 3 304.390 2.578 20 0 DFADHM Cc1noc(C)c1[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1F ZINC000826339145 607734573 /nfs/dbraw/zinc/73/45/73/607734573.db2.gz SPVFTZUNCUEHSK-MRVPVSSYSA-N -1 3 316.340 2.826 20 0 DFADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2cnn(C)c2)cc1 ZINC000825502072 605118826 /nfs/dbraw/zinc/11/88/26/605118826.db2.gz GXPZMVRXPYNUGY-NWDGAFQWSA-N -1 3 302.378 2.600 20 0 DFADHM CN(CC(C)(C)O)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833691940 605129925 /nfs/dbraw/zinc/12/99/25/605129925.db2.gz IBMGHDMPDLQGAM-NSHDSACASA-N -1 3 306.189 2.822 20 0 DFADHM CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1cccc(C)c1C)C(=O)[O-] ZINC000833638024 605140430 /nfs/dbraw/zinc/14/04/30/605140430.db2.gz GZZLVEBIUJDWFG-FABXCBLPSA-N -1 3 320.433 2.570 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1cccc(C)c1C)C(=O)[O-] ZINC000833638025 605140483 /nfs/dbraw/zinc/14/04/83/605140483.db2.gz GZZLVEBIUJDWFG-KHIZAZIESA-N -1 3 320.433 2.570 20 0 DFADHM CC(C)(C)[C@H]1CCN(CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000833424572 605427269 /nfs/dbraw/zinc/42/72/69/605427269.db2.gz KJQWCGTZZZCIDD-LBPRGKRZSA-N -1 3 304.390 2.691 20 0 DFADHM CC(C)C[C@H](C)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824229166 607756471 /nfs/dbraw/zinc/75/64/71/607756471.db2.gz OSGLWJOSYUOAEP-NWDGAFQWSA-N -1 3 316.409 2.662 20 0 DFADHM CC(C)C[C@H](C)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824229166 607756472 /nfs/dbraw/zinc/75/64/72/607756472.db2.gz OSGLWJOSYUOAEP-NWDGAFQWSA-N -1 3 316.409 2.662 20 0 DFADHM Cc1ncsc1CN1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000833918959 605470693 /nfs/dbraw/zinc/47/06/93/605470693.db2.gz XJYWUATZLKXWNQ-STQMWFEESA-N -1 3 309.435 2.806 20 0 DFADHM O=C([O-])NC[C@@H]1CCC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000834215948 605646938 /nfs/dbraw/zinc/64/69/38/605646938.db2.gz RLCXTMILFZTAKH-SWLSCSKDSA-N -1 3 306.410 2.524 20 0 DFADHM Cc1ccncc1CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000833910810 605670486 /nfs/dbraw/zinc/67/04/86/605670486.db2.gz LPNAARKOKJRRJQ-CVEARBPZSA-N -1 3 303.406 2.887 20 0 DFADHM Cc1ccncc1CN1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000833910815 605670932 /nfs/dbraw/zinc/67/09/32/605670932.db2.gz LPNAARKOKJRRJQ-JKSUJKDBSA-N -1 3 303.406 2.887 20 0 DFADHM O=C([O-])Nc1ccc(CNCCOc2ccccc2Cl)cn1 ZINC000834260424 605914336 /nfs/dbraw/zinc/91/43/36/605914336.db2.gz SPNGNAOVGAOAAE-UHFFFAOYSA-N -1 3 321.764 2.994 20 0 DFADHM O=C([O-])N1CCC[C@@H](NCc2ccn(C3CCCC3)n2)CC1 ZINC000834109367 606049307 /nfs/dbraw/zinc/04/93/07/606049307.db2.gz YYOSMMDTYKQWOE-CYBMUJFWSA-N -1 3 306.410 2.620 20 0 DFADHM Fc1cccc(C[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822787082 606051979 /nfs/dbraw/zinc/05/19/79/606051979.db2.gz UXOKZTONWKIGSH-AWEZNQCLSA-N -1 3 324.363 2.612 20 0 DFADHM Fc1cccc(C[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822787082 606051981 /nfs/dbraw/zinc/05/19/81/606051981.db2.gz UXOKZTONWKIGSH-AWEZNQCLSA-N -1 3 324.363 2.612 20 0 DFADHM CN(C(=O)C1C(C)(C)C1(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569889 606055385 /nfs/dbraw/zinc/05/53/85/606055385.db2.gz ZIQVCLKXDNCSOT-UHFFFAOYSA-N -1 3 317.368 2.651 20 0 DFADHM CN(C(=O)C1C(C)(C)C1(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569889 606055391 /nfs/dbraw/zinc/05/53/91/606055391.db2.gz ZIQVCLKXDNCSOT-UHFFFAOYSA-N -1 3 317.368 2.651 20 0 DFADHM Oc1cccc2c1CC[C@@H]2Nc1cccc(F)c1-c1nnn[n-]1 ZINC000823732183 606062968 /nfs/dbraw/zinc/06/29/68/606062968.db2.gz IZZOUEWVXBVOMU-LBPRGKRZSA-N -1 3 311.320 2.811 20 0 DFADHM Oc1cccc2c1CC[C@@H]2Nc1cccc(F)c1-c1nn[n-]n1 ZINC000823732183 606062972 /nfs/dbraw/zinc/06/29/72/606062972.db2.gz IZZOUEWVXBVOMU-LBPRGKRZSA-N -1 3 311.320 2.811 20 0 DFADHM CCc1cccc2c1OCC[C@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821492656 606067420 /nfs/dbraw/zinc/06/74/20/606067420.db2.gz RYMGJGVCPAKKQN-CQSZACIVSA-N -1 3 322.372 2.760 20 0 DFADHM CCc1cccc2c1OCC[C@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821492656 606067426 /nfs/dbraw/zinc/06/74/26/606067426.db2.gz RYMGJGVCPAKKQN-CQSZACIVSA-N -1 3 322.372 2.760 20 0 DFADHM CC(C)(C)[C@@H](NCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000819899811 606088009 /nfs/dbraw/zinc/08/80/09/606088009.db2.gz ZRJQSPVCTZBIJZ-GFCCVEGCSA-N -1 3 313.327 2.933 20 0 DFADHM CC(C)(C)[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000819899811 606088013 /nfs/dbraw/zinc/08/80/13/606088013.db2.gz ZRJQSPVCTZBIJZ-GFCCVEGCSA-N -1 3 313.327 2.933 20 0 DFADHM CC[C@](C)(NCc1cc(-c2nnn[n-]2)ccc1F)C(F)(F)F ZINC000820853583 606088956 /nfs/dbraw/zinc/08/89/56/606088956.db2.gz NDVCYDOEEGKDGP-LBPRGKRZSA-N -1 3 317.290 2.826 20 0 DFADHM CC[C@](C)(NCc1cc(-c2nn[n-]n2)ccc1F)C(F)(F)F ZINC000820853583 606088961 /nfs/dbraw/zinc/08/89/61/606088961.db2.gz NDVCYDOEEGKDGP-LBPRGKRZSA-N -1 3 317.290 2.826 20 0 DFADHM C[C@@H]1c2ccccc2CN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820827255 606104533 /nfs/dbraw/zinc/10/45/33/606104533.db2.gz QWPCGCZMRQZKJS-SECBINFHSA-N -1 3 311.370 2.645 20 0 DFADHM C[C@@H]1c2ccccc2CN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820827255 606104534 /nfs/dbraw/zinc/10/45/34/606104534.db2.gz QWPCGCZMRQZKJS-SECBINFHSA-N -1 3 311.370 2.645 20 0 DFADHM CC1(C)CCC[C@@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820589705 606119833 /nfs/dbraw/zinc/11/98/33/606119833.db2.gz LADMFNSERXOYNQ-CMUBDUJZSA-N -1 3 311.389 2.575 20 0 DFADHM CC1(C)CCC[C@@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820589705 606119834 /nfs/dbraw/zinc/11/98/34/606119834.db2.gz LADMFNSERXOYNQ-CMUBDUJZSA-N -1 3 311.389 2.575 20 0 DFADHM CCC(C)(C)CCOC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820847933 606142145 /nfs/dbraw/zinc/14/21/45/606142145.db2.gz NALVYRXJGBHRRO-UHFFFAOYSA-N -1 3 302.378 2.779 20 0 DFADHM CCC(C)(C)CCOC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820847933 606142146 /nfs/dbraw/zinc/14/21/46/606142146.db2.gz NALVYRXJGBHRRO-UHFFFAOYSA-N -1 3 302.378 2.779 20 0 DFADHM Fc1ccc(F)c(CCNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822774870 606142285 /nfs/dbraw/zinc/14/22/85/606142285.db2.gz QCXOFCIJMLOPOY-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1ccc(F)c(CCNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822774870 606142287 /nfs/dbraw/zinc/14/22/87/606142287.db2.gz QCXOFCIJMLOPOY-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1ccc(F)c(CCNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000822773950 606142400 /nfs/dbraw/zinc/14/24/00/606142400.db2.gz BZWKCUWJURCOMX-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1ccc(F)c(CCNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000822773950 606142402 /nfs/dbraw/zinc/14/24/02/606142402.db2.gz BZWKCUWJURCOMX-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1cc(NCc2ccc(-c3nnn[n-]3)cc2)cc(F)c1F ZINC000822753101 606156996 /nfs/dbraw/zinc/15/69/96/606156996.db2.gz DFVJIQPDUDTXQR-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cc(NCc2ccc(-c3nn[n-]n3)cc2)cc(F)c1F ZINC000822753101 606156997 /nfs/dbraw/zinc/15/69/97/606156997.db2.gz DFVJIQPDUDTXQR-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CC12CCCC2 ZINC000823413356 606168554 /nfs/dbraw/zinc/16/85/54/606168554.db2.gz FXIJEXGYZVGRJF-LBPRGKRZSA-N -1 3 316.336 2.629 20 0 DFADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CC12CCCC2 ZINC000823413356 606168555 /nfs/dbraw/zinc/16/85/55/606168555.db2.gz FXIJEXGYZVGRJF-LBPRGKRZSA-N -1 3 316.336 2.629 20 0 DFADHM CC(C)CN(CCCCCCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000820087622 606182635 /nfs/dbraw/zinc/18/26/35/606182635.db2.gz ULFICDSCSCBDJI-UHFFFAOYSA-N -1 3 317.437 2.882 20 0 DFADHM c1cnc(N2CCSC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823809987 606201048 /nfs/dbraw/zinc/20/10/48/606201048.db2.gz UUBJOFGPBKNLCF-UHFFFAOYSA-N -1 3 316.434 2.518 20 0 DFADHM c1cnc(N2CCSC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823809987 606201050 /nfs/dbraw/zinc/20/10/50/606201050.db2.gz UUBJOFGPBKNLCF-UHFFFAOYSA-N -1 3 316.434 2.518 20 0 DFADHM Cc1ncsc1CCOc1ccc(-c2nn[n-]n2)cc1C ZINC000822136728 606207334 /nfs/dbraw/zinc/20/73/34/606207334.db2.gz OZEAYXJNWMSXRU-UHFFFAOYSA-N -1 3 301.375 2.562 20 0 DFADHM CC(C)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000820191955 606207558 /nfs/dbraw/zinc/20/75/58/606207558.db2.gz BXFVGNBTSHOSBG-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CC(C)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000820191955 606207559 /nfs/dbraw/zinc/20/75/59/606207559.db2.gz BXFVGNBTSHOSBG-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM Cc1ccc(CCNc2c(F)cc(-c3nnn[n-]3)cc2F)cn1 ZINC000822236022 606218603 /nfs/dbraw/zinc/21/86/03/606218603.db2.gz GUIRCJATYYIZFR-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1ccc(CCNc2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000822236022 606218604 /nfs/dbraw/zinc/21/86/04/606218604.db2.gz GUIRCJATYYIZFR-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM CC[C@H](NCc1cc(-c2nnn[n-]2)cs1)c1nccs1 ZINC000820926392 606220873 /nfs/dbraw/zinc/22/08/73/606220873.db2.gz SREWYQHGPJWDJM-JTQLQIEISA-N -1 3 306.420 2.626 20 0 DFADHM CC[C@H](NCc1cc(-c2nn[n-]n2)cs1)c1nccs1 ZINC000820926392 606220875 /nfs/dbraw/zinc/22/08/75/606220875.db2.gz SREWYQHGPJWDJM-JTQLQIEISA-N -1 3 306.420 2.626 20 0 DFADHM C[C@@H]1[C@H](c2ccccc2)CCN1c1ncccc1-c1nnn[n-]1 ZINC000820643126 606232613 /nfs/dbraw/zinc/23/26/13/606232613.db2.gz QIHLGZWSJSXCRV-TZMCWYRMSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1[C@H](c2ccccc2)CCN1c1ncccc1-c1nn[n-]n1 ZINC000820643126 606232615 /nfs/dbraw/zinc/23/26/15/606232615.db2.gz QIHLGZWSJSXCRV-TZMCWYRMSA-N -1 3 306.373 2.644 20 0 DFADHM CCCN(CC1CCCCC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821094022 606260250 /nfs/dbraw/zinc/26/02/50/606260250.db2.gz BHPFOFZUBIHVQQ-UHFFFAOYSA-N -1 3 316.409 2.627 20 0 DFADHM CCCN(CC1CCCCC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821094022 606260252 /nfs/dbraw/zinc/26/02/52/606260252.db2.gz BHPFOFZUBIHVQQ-UHFFFAOYSA-N -1 3 316.409 2.627 20 0 DFADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820937617 606263530 /nfs/dbraw/zinc/26/35/30/606263530.db2.gz ACRHSJXEOBFDOI-HNNXBMFYSA-N -1 3 324.388 2.808 20 0 DFADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820937617 606263531 /nfs/dbraw/zinc/26/35/31/606263531.db2.gz ACRHSJXEOBFDOI-HNNXBMFYSA-N -1 3 324.388 2.808 20 0 DFADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1nc(C2CC2)no1 ZINC000820554965 606328697 /nfs/dbraw/zinc/32/86/97/606328697.db2.gz CHUBLWGSNZLQKA-MRVPVSSYSA-N -1 3 314.374 2.980 20 0 DFADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1nc(C2CC2)no1 ZINC000820554965 606328698 /nfs/dbraw/zinc/32/86/98/606328698.db2.gz CHUBLWGSNZLQKA-MRVPVSSYSA-N -1 3 314.374 2.980 20 0 DFADHM C[C@H]1CCCCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820703512 606345611 /nfs/dbraw/zinc/34/56/11/606345611.db2.gz GSPDQMNUWJQWRA-JTQLQIEISA-N -1 3 318.356 2.802 20 0 DFADHM C[C@H]1CCCCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820703512 606345613 /nfs/dbraw/zinc/34/56/13/606345613.db2.gz GSPDQMNUWJQWRA-JTQLQIEISA-N -1 3 318.356 2.802 20 0 DFADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820966028 606357524 /nfs/dbraw/zinc/35/75/24/606357524.db2.gz BKPAUIGRKMELFW-KOLCDFICSA-N -1 3 318.356 2.658 20 0 DFADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820966028 606357526 /nfs/dbraw/zinc/35/75/26/606357526.db2.gz BKPAUIGRKMELFW-KOLCDFICSA-N -1 3 318.356 2.658 20 0 DFADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820966030 606357814 /nfs/dbraw/zinc/35/78/14/606357814.db2.gz BKPAUIGRKMELFW-ONGXEEELSA-N -1 3 318.356 2.658 20 0 DFADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820966030 606357816 /nfs/dbraw/zinc/35/78/16/606357816.db2.gz BKPAUIGRKMELFW-ONGXEEELSA-N -1 3 318.356 2.658 20 0 DFADHM C[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@H]1C ZINC000820727157 606423815 /nfs/dbraw/zinc/42/38/15/606423815.db2.gz HWOMPAJIRYBESB-YUMQZZPRSA-N -1 3 312.299 2.515 20 0 DFADHM C[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@H]1C 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Fc1ccc(NCCc2ccc(Cl)nc2)c(-c2nn[n-]n2)c1 ZINC000822782743 606721461 /nfs/dbraw/zinc/72/14/61/606721461.db2.gz DWCIPOGSDXVUKU-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM COCCC1(CNc2ccc(F)cc2-c2nnn[n-]2)CCC1 ZINC000821687224 606722838 /nfs/dbraw/zinc/72/28/38/606722838.db2.gz URKHHGNQQIKYOZ-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM COCCC1(CNc2ccc(F)cc2-c2nn[n-]n2)CCC1 ZINC000821687224 606722840 /nfs/dbraw/zinc/72/28/40/606722840.db2.gz URKHHGNQQIKYOZ-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C(C)C ZINC000820152296 606769664 /nfs/dbraw/zinc/76/96/64/606769664.db2.gz XEUFNHAMEISJPO-UHFFFAOYSA-N -1 3 318.381 2.526 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C(C)C ZINC000820152296 606769666 /nfs/dbraw/zinc/76/96/66/606769666.db2.gz XEUFNHAMEISJPO-UHFFFAOYSA-N -1 3 318.381 2.526 20 0 DFADHM CC(C)c1nc(COc2cc(Cl)ccc2-c2nnn[n-]2)no1 ZINC000820203920 606779970 /nfs/dbraw/zinc/77/99/70/606779970.db2.gz ZSJIQAMVLYTUFD-UHFFFAOYSA-N -1 3 320.740 2.606 20 0 DFADHM CC(C)c1nc(COc2cc(Cl)ccc2-c2nn[n-]n2)no1 ZINC000820203920 606779972 /nfs/dbraw/zinc/77/99/72/606779972.db2.gz ZSJIQAMVLYTUFD-UHFFFAOYSA-N -1 3 320.740 2.606 20 0 DFADHM Cc1ncc(COc2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000822472391 606783247 /nfs/dbraw/zinc/78/32/47/606783247.db2.gz QTEAONXRDJDKCK-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM Cc1ncc(COc2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000822472391 606783249 /nfs/dbraw/zinc/78/32/49/606783249.db2.gz QTEAONXRDJDKCK-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM CCc1c[nH]c(SCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000821465473 606786632 /nfs/dbraw/zinc/78/66/32/606786632.db2.gz IMIKNGVQFSSIEC-UHFFFAOYSA-N -1 3 304.354 2.584 20 0 DFADHM CCc1c[nH]c(SCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000821465756 606786890 /nfs/dbraw/zinc/78/68/90/606786890.db2.gz NYVGPFJOBKTKER-UHFFFAOYSA-N -1 3 304.354 2.584 20 0 DFADHM CCc1c[nH]c(SCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000821465756 606786892 /nfs/dbraw/zinc/78/68/92/606786892.db2.gz NYVGPFJOBKTKER-UHFFFAOYSA-N -1 3 304.354 2.584 20 0 DFADHM CCCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000821044240 606817000 /nfs/dbraw/zinc/81/70/00/606817000.db2.gz YAPQKLSETPZZFY-OAHLLOKOSA-N -1 3 313.405 2.955 20 0 DFADHM CCCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000821044240 606817001 /nfs/dbraw/zinc/81/70/01/606817001.db2.gz YAPQKLSETPZZFY-OAHLLOKOSA-N -1 3 313.405 2.955 20 0 DFADHM C[C@H]1CCC[C@H](CCOC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820698982 606826064 /nfs/dbraw/zinc/82/60/64/606826064.db2.gz XEBMAWWSVRRJDL-NWDGAFQWSA-N -1 3 315.377 2.635 20 0 DFADHM C[C@H]1CCC[C@H](CCOC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820698982 606826066 /nfs/dbraw/zinc/82/60/66/606826066.db2.gz XEBMAWWSVRRJDL-NWDGAFQWSA-N -1 3 315.377 2.635 20 0 DFADHM O=C(CSCC1CC1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823060991 606841794 /nfs/dbraw/zinc/84/17/94/606841794.db2.gz RAAPFQATLAYNFW-UHFFFAOYSA-N -1 3 323.809 2.602 20 0 DFADHM O=C(CSCC1CC1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823060991 606841795 /nfs/dbraw/zinc/84/17/95/606841795.db2.gz RAAPFQATLAYNFW-UHFFFAOYSA-N -1 3 323.809 2.602 20 0 DFADHM CC1(C)CCCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820596432 606870756 /nfs/dbraw/zinc/87/07/56/606870756.db2.gz PPCKLELCRQHGOI-CYBMUJFWSA-N -1 3 314.393 2.957 20 0 DFADHM CC1(C)CCCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820596432 606870758 /nfs/dbraw/zinc/87/07/58/606870758.db2.gz PPCKLELCRQHGOI-CYBMUJFWSA-N -1 3 314.393 2.957 20 0 DFADHM CCC[C@H]1CCCN(c2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000821039716 606875375 /nfs/dbraw/zinc/87/53/75/606875375.db2.gz GKUZALJFKOCKHO-ZDUSSCGKSA-N -1 3 300.410 2.895 20 0 DFADHM CCC[C@H]1CCCN(c2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000821039716 606875376 /nfs/dbraw/zinc/87/53/76/606875376.db2.gz GKUZALJFKOCKHO-ZDUSSCGKSA-N -1 3 300.410 2.895 20 0 DFADHM CC(C)C[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820062180 606878903 /nfs/dbraw/zinc/87/89/03/606878903.db2.gz IVCDMUTUKQMLRO-OAHLLOKOSA-N -1 3 313.405 2.908 20 0 DFADHM CC(C)C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820062180 606878905 /nfs/dbraw/zinc/87/89/05/606878905.db2.gz IVCDMUTUKQMLRO-OAHLLOKOSA-N -1 3 313.405 2.908 20 0 DFADHM CCN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1C ZINC000821170897 606921161 /nfs/dbraw/zinc/92/11/61/606921161.db2.gz XVKCCLFVKFYADC-KRWDZBQOSA-N -1 3 323.400 2.735 20 0 DFADHM CCN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1C ZINC000821170897 606921162 /nfs/dbraw/zinc/92/11/62/606921162.db2.gz XVKCCLFVKFYADC-KRWDZBQOSA-N -1 3 323.400 2.735 20 0 DFADHM CC(C)[C@@H](C)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820017461 606926646 /nfs/dbraw/zinc/92/66/46/606926646.db2.gz XOMCRDLXVNQWFY-LLVKDONJSA-N -1 3 320.418 2.688 20 0 DFADHM CC(C)[C@@H](C)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820017461 606926647 /nfs/dbraw/zinc/92/66/47/606926647.db2.gz XOMCRDLXVNQWFY-LLVKDONJSA-N -1 3 320.418 2.688 20 0 DFADHM CCc1nnc(SCCC(C)C)c(-c2nnn[n-]2)c1CC ZINC000821548104 606940613 /nfs/dbraw/zinc/94/06/13/606940613.db2.gz IDGKCCUOAVOTRW-UHFFFAOYSA-N -1 3 306.439 2.920 20 0 DFADHM CCc1nnc(SCCC(C)C)c(-c2nn[n-]n2)c1CC ZINC000821548104 606940614 /nfs/dbraw/zinc/94/06/14/606940614.db2.gz IDGKCCUOAVOTRW-UHFFFAOYSA-N -1 3 306.439 2.920 20 0 DFADHM CCCCCC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821042627 606941434 /nfs/dbraw/zinc/94/14/34/606941434.db2.gz GJVFFFPXKIDNJR-UHFFFAOYSA-N -1 3 318.377 2.759 20 0 DFADHM CCCCCC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821042627 606941436 /nfs/dbraw/zinc/94/14/36/606941436.db2.gz GJVFFFPXKIDNJR-UHFFFAOYSA-N -1 3 318.377 2.759 20 0 DFADHM Cc1nc(Cl)cc(Sc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822449797 606944987 /nfs/dbraw/zinc/94/49/87/606944987.db2.gz PIHMCNKUNFUZOI-UHFFFAOYSA-N -1 3 304.766 2.770 20 0 DFADHM Cc1nc(Cl)cc(Sc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822449797 606944988 /nfs/dbraw/zinc/94/49/88/606944988.db2.gz PIHMCNKUNFUZOI-UHFFFAOYSA-N -1 3 304.766 2.770 20 0 DFADHM Cc1cc(Sc2cccc(-c3nnn[n-]3)c2)nc(C2CC2)n1 ZINC000822213020 606945305 /nfs/dbraw/zinc/94/53/05/606945305.db2.gz QZYBNYHFJHRVCR-UHFFFAOYSA-N -1 3 310.386 2.994 20 0 DFADHM Cc1cc(Sc2cccc(-c3nn[n-]n3)c2)nc(C2CC2)n1 ZINC000822213020 606945307 /nfs/dbraw/zinc/94/53/07/606945307.db2.gz QZYBNYHFJHRVCR-UHFFFAOYSA-N -1 3 310.386 2.994 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820950478 606955963 /nfs/dbraw/zinc/95/59/63/606955963.db2.gz NZEBXAXPAVUBNJ-HNNXBMFYSA-N -1 3 318.356 2.660 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820950478 606955965 /nfs/dbraw/zinc/95/59/65/606955965.db2.gz NZEBXAXPAVUBNJ-HNNXBMFYSA-N -1 3 318.356 2.660 20 0 DFADHM c1ccc(CCOCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823779533 607027500 /nfs/dbraw/zinc/02/75/00/607027500.db2.gz FVCGEFILRVZIAE-UHFFFAOYSA-N -1 3 324.384 2.895 20 0 DFADHM c1ccc(CCOCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823779533 607027501 /nfs/dbraw/zinc/02/75/01/607027501.db2.gz FVCGEFILRVZIAE-UHFFFAOYSA-N -1 3 324.384 2.895 20 0 DFADHM COc1ccc(COc2cc(-c3nnn[n-]3)ccc2C)cc1F ZINC000821825364 607031527 /nfs/dbraw/zinc/03/15/27/607031527.db2.gz YQHRPGSZNVJYEO-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(COc2cc(-c3nn[n-]n3)ccc2C)cc1F ZINC000821825364 607031528 /nfs/dbraw/zinc/03/15/28/607031528.db2.gz YQHRPGSZNVJYEO-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM Cc1cc(CSCc2cc(F)ccc2-c2nnn[n-]2)on1 ZINC000822200948 607033007 /nfs/dbraw/zinc/03/30/07/607033007.db2.gz KFIHHDYPNOGGNK-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM Cc1cc(CSCc2cc(F)ccc2-c2nn[n-]n2)on1 ZINC000822200948 607033009 /nfs/dbraw/zinc/03/30/09/607033009.db2.gz KFIHHDYPNOGGNK-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM Cc1nnc(N2CCC[C@@H](CC(C)C)C2)c(-c2nnn[n-]2)c1C ZINC000822510639 607045092 /nfs/dbraw/zinc/04/50/92/607045092.db2.gz SMIOPHPBACXGJV-ZDUSSCGKSA-N -1 3 315.425 2.536 20 0 DFADHM Cc1nnc(N2CCC[C@@H](CC(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000822510639 607045093 /nfs/dbraw/zinc/04/50/93/607045093.db2.gz SMIOPHPBACXGJV-ZDUSSCGKSA-N -1 3 315.425 2.536 20 0 DFADHM CCCN(Cc1cc(F)ccc1-c1nnn[n-]1)CC(F)(F)F ZINC000821099385 607061748 /nfs/dbraw/zinc/06/17/48/607061748.db2.gz GEWHILCQUVVAGL-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM CCCN(Cc1cc(F)ccc1-c1nn[n-]n1)CC(F)(F)F ZINC000821099385 607061750 /nfs/dbraw/zinc/06/17/50/607061750.db2.gz GEWHILCQUVVAGL-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(C)C ZINC000821293337 607101710 /nfs/dbraw/zinc/10/17/10/607101710.db2.gz KGBBMYFGFJHCIK-UHFFFAOYSA-N -1 3 302.382 2.673 20 0 DFADHM CCCC1(CNC(=S)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000821034202 607111344 /nfs/dbraw/zinc/11/13/44/607111344.db2.gz ISCQPNMYYJKKPJ-UHFFFAOYSA-N -1 3 316.434 2.733 20 0 DFADHM CCCC1(CNC(=S)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000821034202 607111347 /nfs/dbraw/zinc/11/13/47/607111347.db2.gz ISCQPNMYYJKKPJ-UHFFFAOYSA-N -1 3 316.434 2.733 20 0 DFADHM CC=C(C=CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)CC ZINC000820832530 607119446 /nfs/dbraw/zinc/11/94/46/607119446.db2.gz KXVPQCZTOTUKLU-RMPJALIQSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)CC ZINC000820832530 607119448 /nfs/dbraw/zinc/11/94/48/607119448.db2.gz KXVPQCZTOTUKLU-RMPJALIQSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)CC ZINC000820833196 607119789 /nfs/dbraw/zinc/11/97/89/607119789.db2.gz TTWYRKVODCKVES-GQHUZBHDSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)CC ZINC000820833196 607119791 /nfs/dbraw/zinc/11/97/91/607119791.db2.gz TTWYRKVODCKVES-GQHUZBHDSA-N -1 3 316.336 2.962 20 0 DFADHM Fc1cc(F)c(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000822748228 607122921 /nfs/dbraw/zinc/12/29/21/607122921.db2.gz OCHKHGWQVXSKQC-IWQZZHSRSA-N -1 3 303.247 2.849 20 0 DFADHM Fc1cc(F)c(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000822748228 607122922 /nfs/dbraw/zinc/12/29/22/607122922.db2.gz OCHKHGWQVXSKQC-IWQZZHSRSA-N -1 3 303.247 2.849 20 0 DFADHM Cc1nc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000822444230 607125155 /nfs/dbraw/zinc/12/51/55/607125155.db2.gz HTSWVCYCOBPAAD-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM CCCC1(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000821034260 607135781 /nfs/dbraw/zinc/13/57/81/607135781.db2.gz JTAVIGLULUQYAL-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM CCCC1(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000821034260 607135782 /nfs/dbraw/zinc/13/57/82/607135782.db2.gz JTAVIGLULUQYAL-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1cccc(-n2cccn2)c1 ZINC000819710140 607147437 /nfs/dbraw/zinc/14/74/37/607147437.db2.gz XISWYXOEPJPPKO-ALCCZGGFSA-N -1 3 315.340 2.618 20 0 DFADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1cccc(-n2cccn2)c1 ZINC000819710140 607147439 /nfs/dbraw/zinc/14/74/39/607147439.db2.gz XISWYXOEPJPPKO-ALCCZGGFSA-N -1 3 315.340 2.618 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1nc2ccccc2o1 ZINC000822748069 607170716 /nfs/dbraw/zinc/17/07/16/607170716.db2.gz GAJFTLYRRWONEX-UHFFFAOYSA-N -1 3 311.276 2.726 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1nc2ccccc2o1 ZINC000822748069 607170717 /nfs/dbraw/zinc/17/07/17/607170717.db2.gz GAJFTLYRRWONEX-UHFFFAOYSA-N -1 3 311.276 2.726 20 0 DFADHM Fc1cccc2c1N(Cc1cc(-c3nnn[n-]3)ccc1F)CC2 ZINC000822761842 607177453 /nfs/dbraw/zinc/17/74/53/607177453.db2.gz UCSFZUCHDWTRSJ-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1cccc2c1N(Cc1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC000822761842 607177454 /nfs/dbraw/zinc/17/74/54/607177454.db2.gz UCSFZUCHDWTRSJ-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM CCc1cc(C)c(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821471006 607192574 /nfs/dbraw/zinc/19/25/74/607192574.db2.gz UONPIDMZGNQVCV-UHFFFAOYSA-N -1 3 311.345 2.607 20 0 DFADHM CCc1cc(C)c(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821471006 607192575 /nfs/dbraw/zinc/19/25/75/607192575.db2.gz UONPIDMZGNQVCV-UHFFFAOYSA-N -1 3 311.345 2.607 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C[C@H]1C ZINC000820743869 607203366 /nfs/dbraw/zinc/20/33/66/607203366.db2.gz WCEJNYUGTZLSNT-RKDXNWHRSA-N -1 3 320.784 2.640 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@H]1C ZINC000820743869 607203367 /nfs/dbraw/zinc/20/33/67/607203367.db2.gz WCEJNYUGTZLSNT-RKDXNWHRSA-N -1 3 320.784 2.640 20 0 DFADHM CCOc1ccc(CN(C)c2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000821418097 607226144 /nfs/dbraw/zinc/22/61/44/607226144.db2.gz WBODTQROGZOMKE-UHFFFAOYSA-N -1 3 324.388 2.605 20 0 DFADHM CCOc1ccc(CN(C)c2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000821418097 607226145 /nfs/dbraw/zinc/22/61/45/607226145.db2.gz WBODTQROGZOMKE-UHFFFAOYSA-N -1 3 324.388 2.605 20 0 DFADHM CCOCc1ccccc1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC000821389554 607227068 /nfs/dbraw/zinc/22/70/68/607227068.db2.gz OCYMPEJYTLATIY-UHFFFAOYSA-N -1 3 324.388 2.719 20 0 DFADHM CCOCc1ccccc1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC000821389554 607227069 /nfs/dbraw/zinc/22/70/69/607227069.db2.gz OCYMPEJYTLATIY-UHFFFAOYSA-N -1 3 324.388 2.719 20 0 DFADHM O=C(Cc1ccsc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823115629 607241797 /nfs/dbraw/zinc/24/17/97/607241797.db2.gz TWAVGQWGQUYPFR-UHFFFAOYSA-N -1 3 319.777 2.763 20 0 DFADHM O=C(Cc1ccsc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823115629 607241798 /nfs/dbraw/zinc/24/17/98/607241798.db2.gz TWAVGQWGQUYPFR-UHFFFAOYSA-N -1 3 319.777 2.763 20 0 DFADHM CSc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000821979357 607247097 /nfs/dbraw/zinc/24/70/97/607247097.db2.gz RKFOLLBJVBLMOK-UHFFFAOYSA-N -1 3 320.305 2.540 20 0 DFADHM CSc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000821979357 607247098 /nfs/dbraw/zinc/24/70/98/607247098.db2.gz RKFOLLBJVBLMOK-UHFFFAOYSA-N -1 3 320.305 2.540 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820691789 607247616 /nfs/dbraw/zinc/24/76/16/607247616.db2.gz ZKQDJYZEKFCZCK-MWLCHTKSSA-N -1 3 304.325 2.738 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820691789 607247617 /nfs/dbraw/zinc/24/76/17/607247617.db2.gz ZKQDJYZEKFCZCK-MWLCHTKSSA-N -1 3 304.325 2.738 20 0 DFADHM CC1(C)C(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1(C)C ZINC000820584324 607249965 /nfs/dbraw/zinc/24/99/65/607249965.db2.gz HXIPAIBGBWITKG-UHFFFAOYSA-N -1 3 304.325 2.593 20 0 DFADHM CC1(C)C(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000820584324 607249966 /nfs/dbraw/zinc/24/99/66/607249966.db2.gz HXIPAIBGBWITKG-UHFFFAOYSA-N -1 3 304.325 2.593 20 0 DFADHM CCc1cccc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825722405 607785886 /nfs/dbraw/zinc/78/58/86/607785886.db2.gz FEWNHWOJQURBMP-UHFFFAOYSA-N -1 3 321.384 2.635 20 0 DFADHM CCc1cccc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825722405 607785887 /nfs/dbraw/zinc/78/58/87/607785887.db2.gz FEWNHWOJQURBMP-UHFFFAOYSA-N -1 3 321.384 2.635 20 0 DFADHM CC(C)CN(C(=O)[C@H]1CC1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249156 607793401 /nfs/dbraw/zinc/79/34/01/607793401.db2.gz IPLOZAJCUUQGMJ-CQSZACIVSA-N -1 3 313.405 2.902 20 0 DFADHM CC(C)CN(C(=O)[C@H]1CC1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249156 607793402 /nfs/dbraw/zinc/79/34/02/607793402.db2.gz IPLOZAJCUUQGMJ-CQSZACIVSA-N -1 3 313.405 2.902 20 0 DFADHM CCN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367556 607799929 /nfs/dbraw/zinc/79/99/29/607799929.db2.gz SPAWSKLIXGVMBS-FICVDOATSA-N -1 3 311.389 2.656 20 0 DFADHM CCN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367556 607799930 /nfs/dbraw/zinc/79/99/30/607799930.db2.gz SPAWSKLIXGVMBS-FICVDOATSA-N -1 3 311.389 2.656 20 0 DFADHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824199646 607819760 /nfs/dbraw/zinc/81/97/60/607819760.db2.gz KQQYZILQYLBUSU-CYBMUJFWSA-N -1 3 323.828 2.975 20 0 DFADHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824199646 607819761 /nfs/dbraw/zinc/81/97/61/607819761.db2.gz KQQYZILQYLBUSU-CYBMUJFWSA-N -1 3 323.828 2.975 20 0 DFADHM CC(=O)CCCCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000772572968 607832162 /nfs/dbraw/zinc/83/21/62/607832162.db2.gz UFOFMINQUGKWKL-UHFFFAOYSA-N -1 3 315.377 2.735 20 0 DFADHM CC(=O)CCCCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000772572968 607832163 /nfs/dbraw/zinc/83/21/63/607832163.db2.gz UFOFMINQUGKWKL-UHFFFAOYSA-N -1 3 315.377 2.735 20 0 DFADHM CCCN(C)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825302214 607833951 /nfs/dbraw/zinc/83/39/51/607833951.db2.gz YGOOYAWENCMUQH-UHFFFAOYSA-N -1 3 314.176 2.656 20 0 DFADHM CCCN(C)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825302214 607833952 /nfs/dbraw/zinc/83/39/52/607833952.db2.gz YGOOYAWENCMUQH-UHFFFAOYSA-N -1 3 314.176 2.656 20 0 DFADHM c1cc2nc(NCCCOCC3CC3)ccc2cc1-c1nnn[n-]1 ZINC000826518262 607839336 /nfs/dbraw/zinc/83/93/36/607839336.db2.gz HQJKKUQFAZUXLN-UHFFFAOYSA-N -1 3 324.388 2.644 20 0 DFADHM c1cc2nc(NCCCOCC3CC3)ccc2cc1-c1nn[n-]n1 ZINC000826518262 607839337 /nfs/dbraw/zinc/83/93/37/607839337.db2.gz HQJKKUQFAZUXLN-UHFFFAOYSA-N -1 3 324.388 2.644 20 0 DFADHM Cc1cccc(C)c1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826297112 607869579 /nfs/dbraw/zinc/86/95/79/607869579.db2.gz VRZBRDOCMNLKCZ-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cccc(C)c1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826297112 607869580 /nfs/dbraw/zinc/86/95/80/607869580.db2.gz VRZBRDOCMNLKCZ-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc([C@H](O)COc2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC000826284226 607874331 /nfs/dbraw/zinc/87/43/31/607874331.db2.gz NNTWXEOAIOBROY-MRXNPFEDSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1oc(-c2ccsc2)nc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826341001 607892424 /nfs/dbraw/zinc/89/24/24/607892424.db2.gz RTMKBKHQBLWPGV-UHFFFAOYSA-N -1 3 312.358 2.741 20 0 DFADHM Cc1oc(-c2ccsc2)nc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826341001 607892425 /nfs/dbraw/zinc/89/24/25/607892425.db2.gz RTMKBKHQBLWPGV-UHFFFAOYSA-N -1 3 312.358 2.741 20 0 DFADHM Cc1noc(C)c1CCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826338673 607893276 /nfs/dbraw/zinc/89/32/76/607893276.db2.gz DGJJRYKQWZGGSQ-UHFFFAOYSA-N -1 3 319.752 2.746 20 0 DFADHM Cc1noc(C)c1CCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826338673 607893277 /nfs/dbraw/zinc/89/32/77/607893277.db2.gz DGJJRYKQWZGGSQ-UHFFFAOYSA-N -1 3 319.752 2.746 20 0 DFADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CCC1 ZINC000824662776 607904419 /nfs/dbraw/zinc/90/44/19/607904419.db2.gz RQRVYBNGRAUVGU-SSDOTTSWSA-N -1 3 312.299 2.881 20 0 DFADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CCC1 ZINC000824662776 607904420 /nfs/dbraw/zinc/90/44/20/607904420.db2.gz RQRVYBNGRAUVGU-SSDOTTSWSA-N -1 3 312.299 2.881 20 0 DFADHM O=C(NCC12CCC(CC1)C2)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826434422 607932050 /nfs/dbraw/zinc/93/20/50/607932050.db2.gz MEQPOSPLCSXBEY-UHFFFAOYSA-N -1 3 312.377 2.569 20 0 DFADHM O=C(NCC12CCC(CC1)C2)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826434422 607932051 /nfs/dbraw/zinc/93/20/51/607932051.db2.gz MEQPOSPLCSXBEY-UHFFFAOYSA-N -1 3 312.377 2.569 20 0 DFADHM CCc1oc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1C ZINC000825777201 607946340 /nfs/dbraw/zinc/94/63/40/607946340.db2.gz QIPSOVXEBQKPHI-UHFFFAOYSA-N -1 3 323.356 2.533 20 0 DFADHM CCc1oc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1C ZINC000825777201 607946341 /nfs/dbraw/zinc/94/63/41/607946341.db2.gz QIPSOVXEBQKPHI-UHFFFAOYSA-N -1 3 323.356 2.533 20 0 DFADHM CC[C@H](CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)C(C)C ZINC000825080567 607953297 /nfs/dbraw/zinc/95/32/97/607953297.db2.gz ARMVXOPUGUTHGB-GFCCVEGCSA-N -1 3 313.405 2.828 20 0 DFADHM CC[C@H](CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)C(C)C ZINC000825080567 607953298 /nfs/dbraw/zinc/95/32/98/607953298.db2.gz ARMVXOPUGUTHGB-GFCCVEGCSA-N -1 3 313.405 2.828 20 0 DFADHM Cc1cc(C)cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826264481 607954167 /nfs/dbraw/zinc/95/41/67/607954167.db2.gz QACJQFCMVMKULZ-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM Cc1cc(C)cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826264481 607954168 /nfs/dbraw/zinc/95/41/68/607954168.db2.gz QACJQFCMVMKULZ-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CCC(F)(F)CC1 ZINC000826277437 607980860 /nfs/dbraw/zinc/98/08/60/607980860.db2.gz UVFTYTHKBJWIFM-UHFFFAOYSA-N -1 3 321.331 2.939 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C1CCC(F)(F)CC1 ZINC000826277437 607980859 /nfs/dbraw/zinc/98/08/59/607980859.db2.gz UVFTYTHKBJWIFM-UHFFFAOYSA-N -1 3 321.331 2.939 20 0 DFADHM CC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000824025236 607982537 /nfs/dbraw/zinc/98/25/37/607982537.db2.gz YBDZIDMJRLYOOE-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000824025236 607982538 /nfs/dbraw/zinc/98/25/38/607982538.db2.gz YBDZIDMJRLYOOE-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM C[C@@H](OC(=O)C=Cc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824715463 607989619 /nfs/dbraw/zinc/98/96/19/607989619.db2.gz SHRUJVGWHNLGPZ-ABZNLYFFSA-N -1 3 321.340 2.579 20 0 DFADHM C[C@@H](OC(=O)C=Cc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824715463 607989620 /nfs/dbraw/zinc/98/96/20/607989620.db2.gz SHRUJVGWHNLGPZ-ABZNLYFFSA-N -1 3 321.340 2.579 20 0 DFADHM Fc1ccc(N2CCc3ccsc3C2)c(-c2nnn[n-]2)c1 ZINC000826375613 608018988 /nfs/dbraw/zinc/01/89/88/608018988.db2.gz UXIFXCJJBGJJQD-UHFFFAOYSA-N -1 3 301.350 2.630 20 0 DFADHM Fc1ccc(N2CCc3ccsc3C2)c(-c2nn[n-]n2)c1 ZINC000826375613 608018989 /nfs/dbraw/zinc/01/89/89/608018989.db2.gz UXIFXCJJBGJJQD-UHFFFAOYSA-N -1 3 301.350 2.630 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1COc1ccc2nccnc2c1 ZINC000826372463 608025225 /nfs/dbraw/zinc/02/52/25/608025225.db2.gz XRTKEQPEJBVVTQ-UHFFFAOYSA-N -1 3 322.303 2.528 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1COc1ccc2nccnc2c1 ZINC000826372463 608025226 /nfs/dbraw/zinc/02/52/26/608025226.db2.gz XRTKEQPEJBVVTQ-UHFFFAOYSA-N -1 3 322.303 2.528 20 0 DFADHM Brc1cc(-c2nn[n-]n2)ccc1NCc1ccoc1 ZINC000823826051 608047567 /nfs/dbraw/zinc/04/75/67/608047567.db2.gz BGDANPBSXRBTEB-UHFFFAOYSA-N -1 3 320.150 2.834 20 0 DFADHM Cc1c(Br)cccc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826234315 608055651 /nfs/dbraw/zinc/05/56/51/608055651.db2.gz QGEIBGABUZKOAJ-UHFFFAOYSA-N -1 3 318.178 2.787 20 0 DFADHM Cc1c(Br)cccc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826234315 608055652 /nfs/dbraw/zinc/05/56/52/608055652.db2.gz QGEIBGABUZKOAJ-UHFFFAOYSA-N -1 3 318.178 2.787 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000826278328 608078883 /nfs/dbraw/zinc/07/88/83/608078883.db2.gz YBRFDZJZUUXGEJ-CMPLNLGQSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000826278328 608078884 /nfs/dbraw/zinc/07/88/84/608078884.db2.gz YBRFDZJZUUXGEJ-CMPLNLGQSA-N -1 3 314.393 2.827 20 0 DFADHM C[C@H](c1ccncc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000824771500 608085504 /nfs/dbraw/zinc/08/55/04/608085504.db2.gz QQEIEOPDWSDZEZ-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM C[C@H](c1ccncc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000824771500 608085505 /nfs/dbraw/zinc/08/55/05/608085505.db2.gz QQEIEOPDWSDZEZ-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM C[C@H](c1ccccn1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000824770046 608086740 /nfs/dbraw/zinc/08/67/40/608086740.db2.gz DAINIHFLPHCXGU-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM C[C@H](c1ccccn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000824770046 608086741 /nfs/dbraw/zinc/08/67/41/608086741.db2.gz DAINIHFLPHCXGU-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM C[C@@H]1CCc2ccccc2[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000824966417 608099271 /nfs/dbraw/zinc/09/92/71/608099271.db2.gz AVDOIZRJRIZMTA-ABAIWWIYSA-N -1 3 306.373 2.997 20 0 DFADHM C[C@@H]1CCc2ccccc2[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000824966417 608099272 /nfs/dbraw/zinc/09/92/72/608099272.db2.gz AVDOIZRJRIZMTA-ABAIWWIYSA-N -1 3 306.373 2.997 20 0 DFADHM CN(C)c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000825883913 608112193 /nfs/dbraw/zinc/11/21/93/608112193.db2.gz PPQUEBILIYREOE-UHFFFAOYSA-N -1 3 312.352 2.684 20 0 DFADHM CN(C)c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825883913 608112194 /nfs/dbraw/zinc/11/21/94/608112194.db2.gz PPQUEBILIYREOE-UHFFFAOYSA-N -1 3 312.352 2.684 20 0 DFADHM COc1ccc(F)c(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826208810 608113408 /nfs/dbraw/zinc/11/34/08/608113408.db2.gz ATVWEGZGVKEOAE-UHFFFAOYSA-N -1 3 305.338 2.688 20 0 DFADHM CCC[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000825224956 608114542 /nfs/dbraw/zinc/11/45/42/608114542.db2.gz HZFSSGDYSLNYMV-ZDUSSCGKSA-N -1 3 319.384 2.694 20 0 DFADHM CCC[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000825224956 608114543 /nfs/dbraw/zinc/11/45/43/608114543.db2.gz HZFSSGDYSLNYMV-ZDUSSCGKSA-N -1 3 319.384 2.694 20 0 DFADHM CC(C)n1cccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824521837 608120457 /nfs/dbraw/zinc/12/04/57/608120457.db2.gz NISUIJCWIUWWQR-LBPRGKRZSA-N -1 3 324.388 2.740 20 0 DFADHM CC(C)n1cccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824521837 608120458 /nfs/dbraw/zinc/12/04/58/608120458.db2.gz NISUIJCWIUWWQR-LBPRGKRZSA-N -1 3 324.388 2.740 20 0 DFADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)nn1[C@H](C)C1CC1 ZINC000826271568 608133896 /nfs/dbraw/zinc/13/38/96/608133896.db2.gz XHFOXDSZUXTAIY-GFCCVEGCSA-N -1 3 323.404 2.955 20 0 DFADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)nn1[C@H](C)C1CC1 ZINC000826271568 608133897 /nfs/dbraw/zinc/13/38/97/608133897.db2.gz XHFOXDSZUXTAIY-GFCCVEGCSA-N -1 3 323.404 2.955 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC[C@H](C3CC3)C2)n1 ZINC000826368479 608152303 /nfs/dbraw/zinc/15/23/03/608152303.db2.gz QWHDMYDIDYUOCJ-VIFPVBQESA-N -1 3 324.310 2.517 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC[C@H](C3CC3)C2)n1 ZINC000826368479 608152304 /nfs/dbraw/zinc/15/23/04/608152304.db2.gz QWHDMYDIDYUOCJ-VIFPVBQESA-N -1 3 324.310 2.517 20 0 DFADHM c1cn(-c2ccccc2OCc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826516424 608152818 /nfs/dbraw/zinc/15/28/18/608152818.db2.gz KOYZGMQAIIAXEP-UHFFFAOYSA-N -1 3 318.340 2.631 20 0 DFADHM c1cn(-c2ccccc2OCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826516424 608152819 /nfs/dbraw/zinc/15/28/19/608152819.db2.gz KOYZGMQAIIAXEP-UHFFFAOYSA-N -1 3 318.340 2.631 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CC12CCCCC2 ZINC000826456309 608157985 /nfs/dbraw/zinc/15/79/85/608157985.db2.gz YCUMVUDLGSLVQO-ZDUSSCGKSA-N -1 3 312.377 2.711 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CC12CCCCC2 ZINC000826456309 608157987 /nfs/dbraw/zinc/15/79/87/608157987.db2.gz YCUMVUDLGSLVQO-ZDUSSCGKSA-N -1 3 312.377 2.711 20 0 DFADHM CCC[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000825225757 608159754 /nfs/dbraw/zinc/15/97/54/608159754.db2.gz XFTCIUGYNUNDMV-LLVKDONJSA-N -1 3 306.341 2.984 20 0 DFADHM CCC[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000825225757 608159755 /nfs/dbraw/zinc/15/97/55/608159755.db2.gz XFTCIUGYNUNDMV-LLVKDONJSA-N -1 3 306.341 2.984 20 0 DFADHM CCC[C@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)C(C)C ZINC000825225331 608159820 /nfs/dbraw/zinc/15/98/20/608159820.db2.gz RRRTWCACWVHADD-LBPRGKRZSA-N -1 3 301.394 2.902 20 0 DFADHM CCC[C@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)C(C)C ZINC000825225331 608159821 /nfs/dbraw/zinc/15/98/21/608159821.db2.gz RRRTWCACWVHADD-LBPRGKRZSA-N -1 3 301.394 2.902 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1Oc1nc(C(C)C)ns1 ZINC000826176163 608170226 /nfs/dbraw/zinc/17/02/26/608170226.db2.gz DUUWOYVPRXERKG-UHFFFAOYSA-N -1 3 318.362 2.643 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1Oc1nc(C(C)C)ns1 ZINC000826176163 608170228 /nfs/dbraw/zinc/17/02/28/608170228.db2.gz DUUWOYVPRXERKG-UHFFFAOYSA-N -1 3 318.362 2.643 20 0 DFADHM CC(C)C[C@H](C)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824230017 608180268 /nfs/dbraw/zinc/18/02/68/608180268.db2.gz XWNHACLOMKDUGJ-QMMMGPOBSA-N -1 3 310.304 2.736 20 0 DFADHM CC(C)C[C@H](C)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824230017 608180270 /nfs/dbraw/zinc/18/02/70/608180270.db2.gz XWNHACLOMKDUGJ-QMMMGPOBSA-N -1 3 310.304 2.736 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1Oc1nc(C2CC2)ns1 ZINC000826372406 608191014 /nfs/dbraw/zinc/19/10/14/608191014.db2.gz USVDQWMXTWCRGT-UHFFFAOYSA-N -1 3 304.310 2.527 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1Oc1nc(C2CC2)ns1 ZINC000826372406 608191016 /nfs/dbraw/zinc/19/10/16/608191016.db2.gz USVDQWMXTWCRGT-UHFFFAOYSA-N -1 3 304.310 2.527 20 0 DFADHM Cc1cccc(C2=CCN(c3cnccc3-c3nnn[n-]3)CC2)c1 ZINC000826297417 608194179 /nfs/dbraw/zinc/19/41/79/608194179.db2.gz GYZHANKXVXXXID-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM Cc1cccc(C2=CCN(c3cnccc3-c3nn[n-]n3)CC2)c1 ZINC000826297417 608194180 /nfs/dbraw/zinc/19/41/80/608194180.db2.gz GYZHANKXVXXXID-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM C[C@@H]1C[C@@H](CNc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824882572 608195069 /nfs/dbraw/zinc/19/50/69/608195069.db2.gz BWJBTFOCIBWPIQ-NEPJUHHUSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H]1C[C@@H](CNc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824882572 608195070 /nfs/dbraw/zinc/19/50/70/608195070.db2.gz BWJBTFOCIBWPIQ-NEPJUHHUSA-N -1 3 324.388 2.642 20 0 DFADHM Cc1cccnc1COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826308066 608218720 /nfs/dbraw/zinc/21/87/20/608218720.db2.gz IAPDMDMVPMRGMW-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1cccnc1COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826308066 608218722 /nfs/dbraw/zinc/21/87/22/608218722.db2.gz IAPDMDMVPMRGMW-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM C[C@@H]1CC(Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@@H](C)O1 ZINC000824894036 608236275 /nfs/dbraw/zinc/23/62/75/608236275.db2.gz WUPMUJWXXXIGQV-GHMZBOCLSA-N -1 3 324.388 2.783 20 0 DFADHM C[C@@H]1CC(Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@@H](C)O1 ZINC000824894036 608236277 /nfs/dbraw/zinc/23/62/77/608236277.db2.gz WUPMUJWXXXIGQV-GHMZBOCLSA-N -1 3 324.388 2.783 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000826468179 608247836 /nfs/dbraw/zinc/24/78/36/608247836.db2.gz DRSZYGOPPWDEMP-INIZCTEOSA-N -1 3 320.352 2.966 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000826468179 608247837 /nfs/dbraw/zinc/24/78/37/608247837.db2.gz DRSZYGOPPWDEMP-INIZCTEOSA-N -1 3 320.352 2.966 20 0 DFADHM Fc1ccc(CN(Cc2ccccn2)C2CC2)cc1-c1nnn[n-]1 ZINC000826374338 608262788 /nfs/dbraw/zinc/26/27/88/608262788.db2.gz VYFXYECOJRHFMY-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ccccc1O ZINC000826173373 608263652 /nfs/dbraw/zinc/26/36/52/608263652.db2.gz ARZWMSSNYOJFGN-UHFFFAOYSA-N -1 3 314.370 2.873 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ccccc1O ZINC000826173373 608263653 /nfs/dbraw/zinc/26/36/53/608263653.db2.gz ARZWMSSNYOJFGN-UHFFFAOYSA-N -1 3 314.370 2.873 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000826461050 608265995 /nfs/dbraw/zinc/26/59/95/608265995.db2.gz DGRQSVDJTJITIO-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000826461050 608265996 /nfs/dbraw/zinc/26/59/96/608265996.db2.gz DGRQSVDJTJITIO-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM COc1ccc(C)cc1CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC000826189678 608270178 /nfs/dbraw/zinc/27/01/78/608270178.db2.gz BFLDNMOCCGCPFD-UHFFFAOYSA-N -1 3 324.388 2.542 20 0 DFADHM COc1ccc(C)cc1CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC000826189678 608270180 /nfs/dbraw/zinc/27/01/80/608270180.db2.gz BFLDNMOCCGCPFD-UHFFFAOYSA-N -1 3 324.388 2.542 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCC(C)(C)c2ccccc2)n1 ZINC000826275504 608273092 /nfs/dbraw/zinc/27/30/92/608273092.db2.gz BKXWVIXVHGUTDD-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCC(C)(C)c2ccccc2)n1 ZINC000826275504 608273094 /nfs/dbraw/zinc/27/30/94/608273094.db2.gz BKXWVIXVHGUTDD-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM COc1ccc(CCCNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000826192124 608276610 /nfs/dbraw/zinc/27/66/10/608276610.db2.gz AHDLWXMRLUJCHY-UHFFFAOYSA-N -1 3 324.388 2.623 20 0 DFADHM COc1ccc(CCCNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000826192124 608276611 /nfs/dbraw/zinc/27/66/11/608276611.db2.gz AHDLWXMRLUJCHY-UHFFFAOYSA-N -1 3 324.388 2.623 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)Cc2ccccc2C)n1 ZINC000826275352 608278871 /nfs/dbraw/zinc/27/88/71/608278871.db2.gz XHEICKPJCSRRRL-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)Cc2ccccc2C)n1 ZINC000826275352 608278872 /nfs/dbraw/zinc/27/88/72/608278872.db2.gz XHEICKPJCSRRRL-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM C[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC000824947698 608282916 /nfs/dbraw/zinc/28/29/16/608282916.db2.gz QASXBZZMIPSADN-VHSXEESVSA-N -1 3 318.356 2.516 20 0 DFADHM C[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC000824947698 608282918 /nfs/dbraw/zinc/28/29/18/608282918.db2.gz QASXBZZMIPSADN-VHSXEESVSA-N -1 3 318.356 2.516 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](CC(C)C)C2)n1 ZINC000826274619 608297203 /nfs/dbraw/zinc/29/72/03/608297203.db2.gz XLJFTCYEALKFEZ-CYBMUJFWSA-N -1 3 300.410 2.833 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](CC(C)C)C2)n1 ZINC000826274619 608297205 /nfs/dbraw/zinc/29/72/05/608297205.db2.gz XLJFTCYEALKFEZ-CYBMUJFWSA-N -1 3 300.410 2.833 20 0 DFADHM C[C@H](SCc1ccnn1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824755864 608298950 /nfs/dbraw/zinc/29/89/50/608298950.db2.gz MOCXEFKWOFUMFJ-JTQLQIEISA-N -1 3 300.391 2.595 20 0 DFADHM C[C@H](SCc1ccnn1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824755864 608298952 /nfs/dbraw/zinc/29/89/52/608298952.db2.gz MOCXEFKWOFUMFJ-JTQLQIEISA-N -1 3 300.391 2.595 20 0 DFADHM Cc1scc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000826350318 608300163 /nfs/dbraw/zinc/30/01/63/608300163.db2.gz QJSDEUJJHXYEKM-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM Cc1scc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000826350318 608300165 /nfs/dbraw/zinc/30/01/65/608300165.db2.gz QJSDEUJJHXYEKM-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM C[C@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C[C@H]1C ZINC000824961077 608302670 /nfs/dbraw/zinc/30/26/70/608302670.db2.gz AZKNRLDMVRBCJG-NWDGAFQWSA-N -1 3 312.421 2.623 20 0 DFADHM C[C@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C[C@H]1C ZINC000824961077 608302672 /nfs/dbraw/zinc/30/26/72/608302672.db2.gz AZKNRLDMVRBCJG-NWDGAFQWSA-N -1 3 312.421 2.623 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC000826465988 608321603 /nfs/dbraw/zinc/32/16/03/608321603.db2.gz KYBKRZOZMAAWNQ-UHFFFAOYSA-N -1 3 320.308 2.970 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC000826465988 608321605 /nfs/dbraw/zinc/32/16/05/608321605.db2.gz KYBKRZOZMAAWNQ-UHFFFAOYSA-N -1 3 320.308 2.970 20 0 DFADHM CC(C)[C@@H](CNc1cnccc1-c1nnn[n-]1)Nc1ccccc1 ZINC000824193236 608363421 /nfs/dbraw/zinc/36/34/21/608363421.db2.gz VOAFQMULJCYJAD-OAHLLOKOSA-N -1 3 323.404 2.810 20 0 DFADHM CC(C)[C@@H](CNc1cnccc1-c1nn[n-]n1)Nc1ccccc1 ZINC000824193236 608363422 /nfs/dbraw/zinc/36/34/22/608363422.db2.gz VOAFQMULJCYJAD-OAHLLOKOSA-N -1 3 323.404 2.810 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CN1Cc2ccccc2[C@H]1C ZINC000826170308 608367565 /nfs/dbraw/zinc/36/75/65/608367565.db2.gz WCENIBLKJZRLKW-GFCCVEGCSA-N -1 3 321.384 2.952 20 0 DFADHM C[C@H](COc1ccccc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824449269 608374958 /nfs/dbraw/zinc/37/49/58/608374958.db2.gz NCTYYIVVYZWWHU-LLVKDONJSA-N -1 3 313.336 2.885 20 0 DFADHM C[C@H](COc1ccccc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824449269 608374960 /nfs/dbraw/zinc/37/49/60/608374960.db2.gz NCTYYIVVYZWWHU-LLVKDONJSA-N -1 3 313.336 2.885 20 0 DFADHM Fc1cccc(F)c1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826377164 608395081 /nfs/dbraw/zinc/39/50/81/608395081.db2.gz HJFLYHUWMRDBIY-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1cccc(F)c1OCc1cccc(-c2nn[n-]n2)c1F ZINC000826377164 608395084 /nfs/dbraw/zinc/39/50/84/608395084.db2.gz HJFLYHUWMRDBIY-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1c(CN2CCC[C@H]2c2ccccn2)cccc1-c1nnn[n-]1 ZINC000826370963 608402097 /nfs/dbraw/zinc/40/20/97/608402097.db2.gz NEVDGYXTEDAZPW-HNNXBMFYSA-N -1 3 324.363 2.738 20 0 DFADHM Fc1c(CSCC2CCOCC2)cccc1-c1nnn[n-]1 ZINC000826370922 608404788 /nfs/dbraw/zinc/40/47/88/608404788.db2.gz LQWFSFWEKHRJCT-UHFFFAOYSA-N -1 3 308.382 2.666 20 0 DFADHM Fc1c(CSCC2CCOCC2)cccc1-c1nn[n-]n1 ZINC000826370922 608404789 /nfs/dbraw/zinc/40/47/89/608404789.db2.gz LQWFSFWEKHRJCT-UHFFFAOYSA-N -1 3 308.382 2.666 20 0 DFADHM Fc1cccc2c1N(Cc1cccc(-c3nnn[n-]3)c1F)CC2 ZINC000826378098 608408673 /nfs/dbraw/zinc/40/86/73/608408673.db2.gz VBOOKABSNRZHGD-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1cccc2c1N(Cc1cccc(-c3nn[n-]n3)c1F)CC2 ZINC000826378098 608408674 /nfs/dbraw/zinc/40/86/74/608408674.db2.gz VBOOKABSNRZHGD-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826145562 608414543 /nfs/dbraw/zinc/41/45/43/608414543.db2.gz IXYHPMHOWUAIKO-UKRRQHHQSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826145562 608414545 /nfs/dbraw/zinc/41/45/45/608414545.db2.gz IXYHPMHOWUAIKO-UKRRQHHQSA-N -1 3 324.388 2.642 20 0 DFADHM CC[C@@H](CSC)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825127011 608416740 /nfs/dbraw/zinc/41/67/40/608416740.db2.gz KUKNKFHSRZMTQA-LBPRGKRZSA-N -1 3 314.418 2.968 20 0 DFADHM CC[C@@H](CSC)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825127011 608416741 /nfs/dbraw/zinc/41/67/41/608416741.db2.gz KUKNKFHSRZMTQA-LBPRGKRZSA-N -1 3 314.418 2.968 20 0 DFADHM Fc1c(CN2CCc3ccsc3C2)cccc1-c1nnn[n-]1 ZINC000826370936 608419222 /nfs/dbraw/zinc/41/92/22/608419222.db2.gz MFABIBMVSUWEOL-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1c(CN2CCc3ccsc3C2)cccc1-c1nn[n-]n1 ZINC000826370936 608419223 /nfs/dbraw/zinc/41/92/23/608419223.db2.gz MFABIBMVSUWEOL-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM C[C@@H]1CC(Nc2cc(Cl)ccc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824892638 608444733 /nfs/dbraw/zinc/44/47/33/608444733.db2.gz LFFPSRJYBFORBC-RKDXNWHRSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@@H]1CC(Nc2cc(Cl)ccc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824892638 608444734 /nfs/dbraw/zinc/44/47/34/608444734.db2.gz LFFPSRJYBFORBC-RKDXNWHRSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)C(C)(C)C ZINC000824051961 608447351 /nfs/dbraw/zinc/44/73/51/608447351.db2.gz JKZMLSGEOMVMDE-SECBINFHSA-N -1 3 306.341 2.731 20 0 DFADHM C[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)C(C)(C)C ZINC000824051961 608447353 /nfs/dbraw/zinc/44/73/53/608447353.db2.gz JKZMLSGEOMVMDE-SECBINFHSA-N -1 3 306.341 2.731 20 0 DFADHM C[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)C(C)(C)C ZINC000824051962 608447469 /nfs/dbraw/zinc/44/74/69/608447469.db2.gz JKZMLSGEOMVMDE-VIFPVBQESA-N -1 3 306.341 2.731 20 0 DFADHM C[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)C(C)(C)C ZINC000824051962 608447470 /nfs/dbraw/zinc/44/74/70/608447470.db2.gz JKZMLSGEOMVMDE-VIFPVBQESA-N -1 3 306.341 2.731 20 0 DFADHM CC(=O)c1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000824029044 608478797 /nfs/dbraw/zinc/47/87/97/608478797.db2.gz AIUUNSUNKAKVBH-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM CC(=O)c1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000824029044 608478799 /nfs/dbraw/zinc/47/87/99/608478799.db2.gz AIUUNSUNKAKVBH-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM Cc1ccc(CN(Cc2ccc(-c3nnn[n-]3)s2)C2CC2)o1 ZINC000826288011 608519145 /nfs/dbraw/zinc/51/91/45/608519145.db2.gz MWXJDIDEGJEGSY-UHFFFAOYSA-N -1 3 315.402 2.994 20 0 DFADHM Cc1ccc(CN(Cc2ccc(-c3nn[n-]n3)s2)C2CC2)o1 ZINC000826288011 608519146 /nfs/dbraw/zinc/51/91/46/608519146.db2.gz MWXJDIDEGJEGSY-UHFFFAOYSA-N -1 3 315.402 2.994 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)nc1NCCCOC1CCCCC1 ZINC000826280994 608543385 /nfs/dbraw/zinc/54/33/85/608543385.db2.gz ZBZMDNQMAMFGFP-UHFFFAOYSA-N -1 3 316.409 2.721 20 0 DFADHM COc1ccc(F)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000826209344 608568884 /nfs/dbraw/zinc/56/88/84/608568884.db2.gz XXWCBEAKHRJMCX-UHFFFAOYSA-N -1 3 305.338 2.688 20 0 DFADHM COc1ccc(F)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000826209344 608568885 /nfs/dbraw/zinc/56/88/85/608568885.db2.gz XXWCBEAKHRJMCX-UHFFFAOYSA-N -1 3 305.338 2.688 20 0 DFADHM CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825195176 608571660 /nfs/dbraw/zinc/57/16/60/608571660.db2.gz UZMXUMDFLNCWRY-LLVKDONJSA-N -1 3 319.796 2.925 20 0 DFADHM CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825195176 608571661 /nfs/dbraw/zinc/57/16/61/608571661.db2.gz UZMXUMDFLNCWRY-LLVKDONJSA-N -1 3 319.796 2.925 20 0 DFADHM CCOC(=O)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825492943 608582337 /nfs/dbraw/zinc/58/23/37/608582337.db2.gz IHEAOHGAFYOZPA-LBPRGKRZSA-N -1 3 306.391 2.547 20 0 DFADHM CCOC(=O)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825492943 608582339 /nfs/dbraw/zinc/58/23/39/608582339.db2.gz IHEAOHGAFYOZPA-LBPRGKRZSA-N -1 3 306.391 2.547 20 0 DFADHM Clc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)nc1 ZINC000826351969 608585800 /nfs/dbraw/zinc/58/58/00/608585800.db2.gz ILRGANVLMMRUEE-UHFFFAOYSA-N -1 3 322.159 2.576 20 0 DFADHM Clc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)nc1 ZINC000826351969 608585802 /nfs/dbraw/zinc/58/58/02/608585802.db2.gz ILRGANVLMMRUEE-UHFFFAOYSA-N -1 3 322.159 2.576 20 0 DFADHM CO[C@@H]1[C@@H](C)[C@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)C1(C)C ZINC000826144904 608587872 /nfs/dbraw/zinc/58/78/72/608587872.db2.gz VHXUGYBNQLBJBS-WCDAPOTHSA-N -1 3 323.347 2.616 20 0 DFADHM CO[C@@H]1[C@@H](C)[C@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000826144904 608587873 /nfs/dbraw/zinc/58/78/73/608587873.db2.gz VHXUGYBNQLBJBS-WCDAPOTHSA-N -1 3 323.347 2.616 20 0 DFADHM CC1(C)CC[C@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824803766 608608195 /nfs/dbraw/zinc/60/81/95/608608195.db2.gz WXRFZBUOPQRIPU-JTQLQIEISA-N -1 3 318.356 2.706 20 0 DFADHM CC1(C)CC[C@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824803766 608608197 /nfs/dbraw/zinc/60/81/97/608608197.db2.gz WXRFZBUOPQRIPU-JTQLQIEISA-N -1 3 318.356 2.706 20 0 DFADHM Cc1c(NC(=O)N2C[C@@H](C)CC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000826241715 608608781 /nfs/dbraw/zinc/60/87/81/608608781.db2.gz LYPSZMPEQUOBBS-QWRGUYRKSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2C[C@@H](C)CC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000826241715 608608782 /nfs/dbraw/zinc/60/87/82/608608782.db2.gz LYPSZMPEQUOBBS-QWRGUYRKSA-N -1 3 314.393 2.827 20 0 DFADHM CCc1nc(CN(C)Cc2ccc(-c3nnn[n-]3)s2)cs1 ZINC000825745127 608635409 /nfs/dbraw/zinc/63/54/09/608635409.db2.gz ILXNCCQFVLOHSC-UHFFFAOYSA-N -1 3 320.447 2.579 20 0 DFADHM Fc1cccc2c1CN(Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000826377666 608706255 /nfs/dbraw/zinc/70/62/55/608706255.db2.gz AFXDTOAJUQXUSO-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1cccc2c1CN(Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000826377666 608706256 /nfs/dbraw/zinc/70/62/56/608706256.db2.gz AFXDTOAJUQXUSO-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM CCc1ccc([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)o1 ZINC000825704877 608709478 /nfs/dbraw/zinc/70/94/78/608709478.db2.gz OTHJPVIALUVUCY-ZDUSSCGKSA-N -1 3 313.361 2.952 20 0 DFADHM Cc1cn(CCOc2ccc(F)cc2Cl)cc1-c1nnn[n-]1 ZINC000826316882 608751372 /nfs/dbraw/zinc/75/13/72/608751372.db2.gz CLZZNHPRAHADQK-UHFFFAOYSA-N -1 3 321.743 2.848 20 0 DFADHM Cc1cn(CCOc2ccc(F)cc2Cl)cc1-c1nn[n-]n1 ZINC000826316882 608751375 /nfs/dbraw/zinc/75/13/75/608751375.db2.gz CLZZNHPRAHADQK-UHFFFAOYSA-N -1 3 321.743 2.848 20 0 DFADHM FC(F)(F)[C@@H]1CCC[C@H](Nc2cnccc2-c2nnn[n-]2)C1 ZINC000826367261 608772731 /nfs/dbraw/zinc/77/27/31/608772731.db2.gz RRIWAANHTLFZPA-BDAKNGLRSA-N -1 3 312.299 2.795 20 0 DFADHM FC(F)(F)[C@@H]1CCC[C@H](Nc2cnccc2-c2nn[n-]n2)C1 ZINC000826367261 608772732 /nfs/dbraw/zinc/77/27/32/608772732.db2.gz RRIWAANHTLFZPA-BDAKNGLRSA-N -1 3 312.299 2.795 20 0 DFADHM c1ccc(C[C@@H]2CCCN(c3cnccc3-c3nnn[n-]3)C2)cc1 ZINC000826520672 608782477 /nfs/dbraw/zinc/78/24/77/608782477.db2.gz PHFDCFDNAQQJMP-HNNXBMFYSA-N -1 3 320.400 2.721 20 0 DFADHM c1ccc(C[C@@H]2CCCN(c3cnccc3-c3nn[n-]n3)C2)cc1 ZINC000826520672 608782481 /nfs/dbraw/zinc/78/24/81/608782481.db2.gz PHFDCFDNAQQJMP-HNNXBMFYSA-N -1 3 320.400 2.721 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2cnccc2-c2nnn[n-]2)C1 ZINC000826307108 608787591 /nfs/dbraw/zinc/78/75/91/608787591.db2.gz WUZAEBSCPGNCCC-KBPBESRZSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2cnccc2-c2nn[n-]n2)C1 ZINC000826307108 608787593 /nfs/dbraw/zinc/78/75/93/608787593.db2.gz WUZAEBSCPGNCCC-KBPBESRZSA-N -1 3 320.400 2.953 20 0 DFADHM c1ccc(OCC2CC2)c(CNc2cnccc2-c2nnn[n-]2)c1 ZINC000826522480 608788299 /nfs/dbraw/zinc/78/82/99/608788299.db2.gz CKBGJCKNLPPARU-UHFFFAOYSA-N -1 3 322.372 2.663 20 0 DFADHM c1ccc(OCC2CC2)c(CNc2cnccc2-c2nn[n-]n2)c1 ZINC000826522480 608788302 /nfs/dbraw/zinc/78/83/02/608788302.db2.gz CKBGJCKNLPPARU-UHFFFAOYSA-N -1 3 322.372 2.663 20 0 DFADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1cnccc1-c1nnn[n-]1 ZINC000824858177 608788913 /nfs/dbraw/zinc/78/89/13/608788913.db2.gz IGKLPJVRBIWFPP-DZGCQCFKSA-N -1 3 320.400 2.719 20 0 DFADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1cnccc1-c1nn[n-]n1 ZINC000824858177 608788915 /nfs/dbraw/zinc/78/89/15/608788915.db2.gz IGKLPJVRBIWFPP-DZGCQCFKSA-N -1 3 320.400 2.719 20 0 DFADHM c1cc(-c2nnn[n-]2)c(N[C@H]2CCOC3(CCCCC3)C2)cn1 ZINC000826512990 608794683 /nfs/dbraw/zinc/79/46/83/608794683.db2.gz WMKXGYLLKQJLPN-LBPRGKRZSA-N -1 3 314.393 2.556 20 0 DFADHM c1cc(-c2nn[n-]n2)c(N[C@H]2CCOC3(CCCCC3)C2)cn1 ZINC000826512990 608794686 /nfs/dbraw/zinc/79/46/86/608794686.db2.gz WMKXGYLLKQJLPN-LBPRGKRZSA-N -1 3 314.393 2.556 20 0 DFADHM c1ccc([C@@H]2CN(c3cnccc3-c3nnn[n-]3)CCS2)cc1 ZINC000826520299 608794908 /nfs/dbraw/zinc/79/49/08/608794908.db2.gz FQNMGUPVYRRYJN-HNNXBMFYSA-N -1 3 324.413 2.556 20 0 DFADHM c1ccc([C@@H]2CN(c3cnccc3-c3nn[n-]n3)CCS2)cc1 ZINC000826520299 608794912 /nfs/dbraw/zinc/79/49/12/608794912.db2.gz FQNMGUPVYRRYJN-HNNXBMFYSA-N -1 3 324.413 2.556 20 0 DFADHM COC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826151901 608798475 /nfs/dbraw/zinc/79/84/75/608798475.db2.gz LYLNDSGPINDQLX-OAHLLOKOSA-N -1 3 313.336 2.805 20 0 DFADHM Clc1nn(Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc12 ZINC000826353920 608799038 /nfs/dbraw/zinc/79/90/38/608799038.db2.gz JHNGDWUMOBTBMZ-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM Clc1nn(Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC000826353920 608799039 /nfs/dbraw/zinc/79/90/39/608799039.db2.gz JHNGDWUMOBTBMZ-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM Cc1c[nH]cc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826242828 609153151 /nfs/dbraw/zinc/15/31/51/609153151.db2.gz HXRAEIXIXUFDJM-UHFFFAOYSA-N -1 3 317.736 2.514 20 0 DFADHM Cc1c[nH]cc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826242828 609153152 /nfs/dbraw/zinc/15/31/52/609153152.db2.gz HXRAEIXIXUFDJM-UHFFFAOYSA-N -1 3 317.736 2.514 20 0 DFADHM CC[C@@H]1C[C@H](CNc2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000825182530 609171710 /nfs/dbraw/zinc/17/17/10/609171710.db2.gz KQDIUDSWDHIAQR-TZMCWYRMSA-N -1 3 301.394 2.792 20 0 DFADHM CC[C@@H]1C[C@H](CNc2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000825182530 609171712 /nfs/dbraw/zinc/17/17/12/609171712.db2.gz KQDIUDSWDHIAQR-TZMCWYRMSA-N -1 3 301.394 2.792 20 0 DFADHM Cc1cn(Cc2ncc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000826317009 609174923 /nfs/dbraw/zinc/17/49/23/609174923.db2.gz IUUMMWCSLNYJHG-UHFFFAOYSA-N -1 3 309.160 2.727 20 0 DFADHM Cc1cn(Cc2ncc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000826317009 609174924 /nfs/dbraw/zinc/17/49/24/609174924.db2.gz IUUMMWCSLNYJHG-UHFFFAOYSA-N -1 3 309.160 2.727 20 0 DFADHM Cc1nc2cc(NCc3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000826329274 609178705 /nfs/dbraw/zinc/17/87/05/609178705.db2.gz WVBSGUTVGJXEBO-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1nc2cc(NCc3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000826329274 609178706 /nfs/dbraw/zinc/17/87/06/609178706.db2.gz WVBSGUTVGJXEBO-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1occc1SCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826342752 609179127 /nfs/dbraw/zinc/17/91/27/609179127.db2.gz YHVNUPATQQDLAP-UHFFFAOYSA-N -1 3 302.359 2.939 20 0 DFADHM CC(C)C[C@@H]1CCCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824242667 609216471 /nfs/dbraw/zinc/21/64/71/609216471.db2.gz AABKIHZMPGSRLC-ZDUSSCGKSA-N -1 3 316.409 2.626 20 0 DFADHM CC(C)C[C@@H]1CCCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824242667 609216473 /nfs/dbraw/zinc/21/64/73/609216473.db2.gz AABKIHZMPGSRLC-ZDUSSCGKSA-N -1 3 316.409 2.626 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824658075 609274301 /nfs/dbraw/zinc/27/43/01/609274301.db2.gz VBITWISSMWWPSZ-LLVKDONJSA-N -1 3 323.356 2.811 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824658075 609274303 /nfs/dbraw/zinc/27/43/03/609274303.db2.gz VBITWISSMWWPSZ-LLVKDONJSA-N -1 3 323.356 2.811 20 0 DFADHM C[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824926729 609288201 /nfs/dbraw/zinc/28/82/01/609288201.db2.gz LLIRPLDKBMCGQF-ONGXEEELSA-N -1 3 319.796 2.829 20 0 DFADHM C[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824926729 609288202 /nfs/dbraw/zinc/28/82/02/609288202.db2.gz LLIRPLDKBMCGQF-ONGXEEELSA-N -1 3 319.796 2.829 20 0 DFADHM COCCC[C@H](C)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826155218 609308876 /nfs/dbraw/zinc/30/88/76/609308876.db2.gz JYQAJIFNGZEKCJ-VIFPVBQESA-N -1 3 323.784 2.521 20 0 DFADHM COCCC[C@H](C)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826155218 609308878 /nfs/dbraw/zinc/30/88/78/609308878.db2.gz JYQAJIFNGZEKCJ-VIFPVBQESA-N -1 3 323.784 2.521 20 0 DFADHM C[C@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C[C@H]1F ZINC000824962348 609319269 /nfs/dbraw/zinc/31/92/69/609319269.db2.gz TXQYZXRPPWLCHT-GXFFZTMASA-N -1 3 312.352 2.599 20 0 DFADHM C[C@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C[C@H]1F ZINC000824962348 609319270 /nfs/dbraw/zinc/31/92/70/609319270.db2.gz TXQYZXRPPWLCHT-GXFFZTMASA-N -1 3 312.352 2.599 20 0 DFADHM C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@@H]1F ZINC000824962107 609319445 /nfs/dbraw/zinc/31/94/45/609319445.db2.gz OGEVYRBWCPBAFA-GWCFXTLKSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@@H]1F ZINC000824962107 609319447 /nfs/dbraw/zinc/31/94/47/609319447.db2.gz OGEVYRBWCPBAFA-GWCFXTLKSA-N -1 3 312.352 2.599 20 0 DFADHM Cc1nc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000826326164 609328677 /nfs/dbraw/zinc/32/86/77/609328677.db2.gz DFHGEUZSHRHQNQ-MRVPVSSYSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1nc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000826326164 609328679 /nfs/dbraw/zinc/32/86/79/609328679.db2.gz DFHGEUZSHRHQNQ-MRVPVSSYSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1ncc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826329914 609334038 /nfs/dbraw/zinc/33/40/38/609334038.db2.gz XSPNYIOFKFLQAW-QMMMGPOBSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1ccsc1COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826316784 609338397 /nfs/dbraw/zinc/33/83/97/609338397.db2.gz YOEJUGQJNUXJDS-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1ccsc1COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826316784 609338399 /nfs/dbraw/zinc/33/83/99/609338399.db2.gz YOEJUGQJNUXJDS-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1ccsc1COC(=O)c1sccc1-c1nnn[n-]1 ZINC000826316758 609338418 /nfs/dbraw/zinc/33/84/18/609338418.db2.gz XZKZPNRITSAHSU-UHFFFAOYSA-N -1 3 306.372 2.655 20 0 DFADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cncc(F)c1 ZINC000824670427 609386889 /nfs/dbraw/zinc/38/68/89/609386889.db2.gz OKGHIEXGEHAIOR-SSDOTTSWSA-N -1 3 319.731 2.622 20 0 DFADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cncc(F)c1 ZINC000824670427 609386892 /nfs/dbraw/zinc/38/68/92/609386892.db2.gz OKGHIEXGEHAIOR-SSDOTTSWSA-N -1 3 319.731 2.622 20 0 DFADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000824915330 609396518 /nfs/dbraw/zinc/39/65/18/609396518.db2.gz CTQBYPCYLWWJEN-YVEFUNNKSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000824915330 609396520 /nfs/dbraw/zinc/39/65/20/609396520.db2.gz CTQBYPCYLWWJEN-YVEFUNNKSA-N -1 3 311.389 2.519 20 0 DFADHM Cc1nc2c(c(Oc3ccccc3-c3nnn[n-]3)n1)CCCC2 ZINC000826328565 609437764 /nfs/dbraw/zinc/43/77/64/609437764.db2.gz WDLLSPAWUYQGPT-UHFFFAOYSA-N -1 3 308.345 2.636 20 0 DFADHM Cc1nc2c(c(Oc3ccccc3-c3nn[n-]n3)n1)CCCC2 ZINC000826328565 609437767 /nfs/dbraw/zinc/43/77/67/609437767.db2.gz WDLLSPAWUYQGPT-UHFFFAOYSA-N -1 3 308.345 2.636 20 0 DFADHM COc1cc(F)c(NCc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000826179842 609444051 /nfs/dbraw/zinc/44/40/51/609444051.db2.gz HJZDKFGDIBPPLC-UHFFFAOYSA-N -1 3 323.328 2.827 20 0 DFADHM COc1cc(F)c(NCc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000826179842 609444053 /nfs/dbraw/zinc/44/40/53/609444053.db2.gz HJZDKFGDIBPPLC-UHFFFAOYSA-N -1 3 323.328 2.827 20 0 DFADHM CCOC(=O)[C@@H](CC(C)C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000825486009 609448299 /nfs/dbraw/zinc/44/82/99/609448299.db2.gz LQDJIPMBPZAKRK-CYBMUJFWSA-N -1 3 320.418 2.937 20 0 DFADHM CCOC(=O)[C@@H](CC(C)C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000825486009 609448301 /nfs/dbraw/zinc/44/83/01/609448301.db2.gz LQDJIPMBPZAKRK-CYBMUJFWSA-N -1 3 320.418 2.937 20 0 DFADHM c1ccc2c(c1)OCC[C@H]2CNc1cccc(-c2nnn[n-]2)c1 ZINC000826516801 609475951 /nfs/dbraw/zinc/47/59/51/609475951.db2.gz BPHSCPSBTXGWER-ZDUSSCGKSA-N -1 3 307.357 2.845 20 0 DFADHM c1ccc2c(c1)OCC[C@H]2CNc1cccc(-c2nn[n-]n2)c1 ZINC000826516801 609475953 /nfs/dbraw/zinc/47/59/53/609475953.db2.gz BPHSCPSBTXGWER-ZDUSSCGKSA-N -1 3 307.357 2.845 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccnc1C ZINC000825631583 609476633 /nfs/dbraw/zinc/47/66/33/609476633.db2.gz DHHDVRGFDQWQLB-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccnc1C ZINC000825631583 609476637 /nfs/dbraw/zinc/47/66/37/609476637.db2.gz DHHDVRGFDQWQLB-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CO[C@@H]1Cc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2C1 ZINC000826147312 609480724 /nfs/dbraw/zinc/48/07/24/609480724.db2.gz SJRVJDGSXFPVAJ-QGZVFWFLSA-N -1 3 321.384 2.592 20 0 DFADHM CO[C@@H]1Cc2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2C1 ZINC000826147312 609480725 /nfs/dbraw/zinc/48/07/25/609480725.db2.gz SJRVJDGSXFPVAJ-QGZVFWFLSA-N -1 3 321.384 2.592 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C)c(F)c1 ZINC000826186831 609481765 /nfs/dbraw/zinc/48/17/65/609481765.db2.gz MEHDQQLVPFXGKO-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C)c(F)c1 ZINC000826186831 609481767 /nfs/dbraw/zinc/48/17/67/609481767.db2.gz MEHDQQLVPFXGKO-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM CCc1ncc(CNc2cc(-c3nnn[n-]3)ccc2OC)s1 ZINC000825750548 609482916 /nfs/dbraw/zinc/48/29/16/609482916.db2.gz RVLCUKNOXVXBRW-UHFFFAOYSA-N -1 3 316.390 2.506 20 0 DFADHM CCc1ncc(CNc2cc(-c3nn[n-]n3)ccc2OC)s1 ZINC000825750548 609482919 /nfs/dbraw/zinc/48/29/19/609482919.db2.gz RVLCUKNOXVXBRW-UHFFFAOYSA-N -1 3 316.390 2.506 20 0 DFADHM C[C@@H](NC(=O)[C@@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824506828 609503718 /nfs/dbraw/zinc/50/37/18/609503718.db2.gz QPXYKGATWAOYBT-QWHCGFSZSA-N -1 3 321.384 2.848 20 0 DFADHM C[C@@H](NC(=O)[C@@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824506828 609503720 /nfs/dbraw/zinc/50/37/20/609503720.db2.gz QPXYKGATWAOYBT-QWHCGFSZSA-N -1 3 321.384 2.848 20 0 DFADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)C12CCC(CC1)C2 ZINC000826464061 609504885 /nfs/dbraw/zinc/50/48/85/609504885.db2.gz HBYITDCTHIIWJD-UHFFFAOYSA-N -1 3 316.336 2.629 20 0 DFADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)C12CCC(CC1)C2 ZINC000826464061 609504886 /nfs/dbraw/zinc/50/48/86/609504886.db2.gz HBYITDCTHIIWJD-UHFFFAOYSA-N -1 3 316.336 2.629 20 0 DFADHM Cc1c(Cl)cnc(N(C)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826237316 609518061 /nfs/dbraw/zinc/51/80/61/609518061.db2.gz VQSKXFDOECNSQG-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Cc1c(Cl)cnc(N(C)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826237316 609518064 /nfs/dbraw/zinc/51/80/64/609518064.db2.gz VQSKXFDOECNSQG-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM C[C@H]1CC(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C[C@H](C)C1 ZINC000824877138 609518824 /nfs/dbraw/zinc/51/88/24/609518824.db2.gz VODSZXXKYBYCMI-VXGBXAGGSA-N -1 3 313.405 2.555 20 0 DFADHM C[C@H]1CC(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C[C@H](C)C1 ZINC000824877138 609518826 /nfs/dbraw/zinc/51/88/26/609518826.db2.gz VODSZXXKYBYCMI-VXGBXAGGSA-N -1 3 313.405 2.555 20 0 DFADHM Cc1cccc(OCCOc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826299964 609524499 /nfs/dbraw/zinc/52/44/99/609524499.db2.gz CEVMKDFBQVJVFN-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1cccc(OCCOc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826299964 609524500 /nfs/dbraw/zinc/52/45/00/609524500.db2.gz CEVMKDFBQVJVFN-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1ccnc(N(C)[C@H](C)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826309437 609525068 /nfs/dbraw/zinc/52/50/68/609525068.db2.gz OUFNXBDNUQAXHN-LLVKDONJSA-N -1 3 312.352 2.907 20 0 DFADHM Cc1ccnc(N(C)[C@H](C)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826309437 609525071 /nfs/dbraw/zinc/52/50/71/609525071.db2.gz OUFNXBDNUQAXHN-LLVKDONJSA-N -1 3 312.352 2.907 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)[C@H](C)CC ZINC000825621424 609534233 /nfs/dbraw/zinc/53/42/33/609534233.db2.gz SSHZVENRFZMZCI-GHMZBOCLSA-N -1 3 317.393 2.886 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)[C@H](C)CC ZINC000825621424 609534234 /nfs/dbraw/zinc/53/42/34/609534234.db2.gz SSHZVENRFZMZCI-GHMZBOCLSA-N -1 3 317.393 2.886 20 0 DFADHM CCC1CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000825205496 609536543 /nfs/dbraw/zinc/53/65/43/609536543.db2.gz WNCDWUVCMLECDG-UHFFFAOYSA-N -1 3 306.801 2.850 20 0 DFADHM CCC1CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000825205496 609536545 /nfs/dbraw/zinc/53/65/45/609536545.db2.gz WNCDWUVCMLECDG-UHFFFAOYSA-N -1 3 306.801 2.850 20 0 DFADHM Cc1ccnc(N2CC[C@H](c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826309957 609542732 /nfs/dbraw/zinc/54/27/32/609542732.db2.gz HMMPZJIMJHQRQJ-AWEZNQCLSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccnc(N2CC[C@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826309957 609542734 /nfs/dbraw/zinc/54/27/34/609542734.db2.gz HMMPZJIMJHQRQJ-AWEZNQCLSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccnc(N2CCOc3ccccc3[C@@H]2C)c1-c1nnn[n-]1 ZINC000826312261 609544750 /nfs/dbraw/zinc/54/47/50/609544750.db2.gz ZQIZVPFKQKFLAH-LBPRGKRZSA-N -1 3 322.372 2.530 20 0 DFADHM Cc1ccnc(N2CCOc3ccccc3[C@@H]2C)c1-c1nn[n-]n1 ZINC000826312261 609544751 /nfs/dbraw/zinc/54/47/51/609544751.db2.gz ZQIZVPFKQKFLAH-LBPRGKRZSA-N -1 3 322.372 2.530 20 0 DFADHM COc1ccc(CN(C)c2nccc(C)c2-c2nnn[n-]2)cc1C ZINC000826193067 609548837 /nfs/dbraw/zinc/54/88/37/609548837.db2.gz OLBVHKFGNHNLEO-UHFFFAOYSA-N -1 3 324.388 2.524 20 0 DFADHM COc1ccc(CN(C)c2nccc(C)c2-c2nn[n-]n2)cc1C ZINC000826193067 609548839 /nfs/dbraw/zinc/54/88/39/609548839.db2.gz OLBVHKFGNHNLEO-UHFFFAOYSA-N -1 3 324.388 2.524 20 0 DFADHM CCc1nc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cs1 ZINC000825745765 609550353 /nfs/dbraw/zinc/55/03/53/609550353.db2.gz OHEOGFUXJQMWDS-SECBINFHSA-N -1 3 315.406 2.762 20 0 DFADHM CCc1nc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cs1 ZINC000825745765 609550354 /nfs/dbraw/zinc/55/03/54/609550354.db2.gz OHEOGFUXJQMWDS-SECBINFHSA-N -1 3 315.406 2.762 20 0 DFADHM Cc1ccnc(N2CCC[C@@H](C(C)C)CC2)c1-c1nnn[n-]1 ZINC000826310407 609553981 /nfs/dbraw/zinc/55/39/81/609553981.db2.gz UTBGZSHURJEZJX-CYBMUJFWSA-N -1 3 300.410 2.833 20 0 DFADHM Cc1ccnc(N2CCC[C@@H](C(C)C)CC2)c1-c1nn[n-]n1 ZINC000826310407 609553983 /nfs/dbraw/zinc/55/39/83/609553983.db2.gz UTBGZSHURJEZJX-CYBMUJFWSA-N -1 3 300.410 2.833 20 0 DFADHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)nc1)[C@H](C)C2 ZINC000826293892 609570510 /nfs/dbraw/zinc/57/05/10/609570510.db2.gz DKKIXXQENWFRIQ-BDJLRTHQSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)nc1)[C@H](C)C2 ZINC000826293892 609570512 /nfs/dbraw/zinc/57/05/12/609570512.db2.gz DKKIXXQENWFRIQ-BDJLRTHQSA-N -1 3 306.373 2.916 20 0 DFADHM C(=C\[C@H]1CCCN1c1ncccc1-c1nnn[n-]1)\c1ccccc1 ZINC000823861447 609577596 /nfs/dbraw/zinc/57/75/96/609577596.db2.gz JCTBVDSCWCGHSN-JQPIKURYSA-N -1 3 318.384 2.944 20 0 DFADHM C(=C\[C@H]1CCCN1c1ncccc1-c1nn[n-]n1)\c1ccccc1 ZINC000823861447 609577598 /nfs/dbraw/zinc/57/75/98/609577598.db2.gz JCTBVDSCWCGHSN-JQPIKURYSA-N -1 3 318.384 2.944 20 0 DFADHM Fc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2)c(F)c1F ZINC000826374373 609591582 /nfs/dbraw/zinc/59/15/82/609591582.db2.gz WUXTUXABCCFMNJ-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM C[C@H]1C[C@H](CCNc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824885337 609596065 /nfs/dbraw/zinc/59/60/65/609596065.db2.gz RXQHBOGWUUFNSG-WDEREUQCSA-N -1 3 305.357 2.623 20 0 DFADHM C[C@@H](CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)C1CC1 ZINC000824392361 609615855 /nfs/dbraw/zinc/61/58/55/609615855.db2.gz NBQHBHVHFHGAJD-VIFPVBQESA-N -1 3 320.780 3.000 20 0 DFADHM C[C@@H](CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)C1CC1 ZINC000824392361 609615857 /nfs/dbraw/zinc/61/58/57/609615857.db2.gz NBQHBHVHFHGAJD-VIFPVBQESA-N -1 3 320.780 3.000 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825050162 609639340 /nfs/dbraw/zinc/63/93/40/609639340.db2.gz HPOZYZVEXIKLGP-QXMHVHEDSA-N -1 3 316.361 2.535 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825050162 609639342 /nfs/dbraw/zinc/63/93/42/609639342.db2.gz HPOZYZVEXIKLGP-QXMHVHEDSA-N -1 3 316.361 2.535 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000825060558 609641982 /nfs/dbraw/zinc/64/19/82/609641982.db2.gz QRYKYRFPCDBYGG-ZJUUUORDSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000825060558 609641983 /nfs/dbraw/zinc/64/19/83/609641983.db2.gz QRYKYRFPCDBYGG-ZJUUUORDSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000825060555 609642308 /nfs/dbraw/zinc/64/23/08/609642308.db2.gz QRYKYRFPCDBYGG-NXEZZACHSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000825060555 609642309 /nfs/dbraw/zinc/64/23/09/609642309.db2.gz QRYKYRFPCDBYGG-NXEZZACHSA-N -1 3 306.341 2.731 20 0 DFADHM CCO[C@H](CNC(=O)c1ccc([O-])c(OC)c1)c1ccccc1 ZINC000278247218 214045588 /nfs/dbraw/zinc/04/55/88/214045588.db2.gz GMMVRNFSJLMTSA-QGZVFWFLSA-N -1 3 315.369 2.908 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000278311100 214083060 /nfs/dbraw/zinc/08/30/60/214083060.db2.gz DMDGYIGABSRVED-OPRDCNLKSA-N -1 3 301.795 2.589 20 0 DFADHM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000412821438 295660035 /nfs/dbraw/zinc/66/00/35/295660035.db2.gz KFZUHFHYPYNIBM-KBPBESRZSA-N -1 3 314.385 2.515 20 0 DFADHM CO[C@@H](C)c1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000076937137 185058411 /nfs/dbraw/zinc/05/84/11/185058411.db2.gz PHFPETKDPQOHEQ-SWLSCSKDSA-N -1 3 313.419 2.705 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000278439012 214153162 /nfs/dbraw/zinc/15/31/62/214153162.db2.gz SMMVMNPFIZUJIB-MNOVXSKESA-N -1 3 323.698 2.573 20 0 DFADHM CCc1cc(C(=O)NCc2ccc([C@H](C)O)c(C)n2)ccc1[O-] ZINC000291775978 222608983 /nfs/dbraw/zinc/60/89/83/222608983.db2.gz WVERIQGCBMJUTF-LBPRGKRZSA-N -1 3 314.385 2.641 20 0 DFADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286554322 219051123 /nfs/dbraw/zinc/05/11/23/219051123.db2.gz HWGWLOKMCXKJAB-DTWKUNHWSA-N -1 3 310.341 2.813 20 0 DFADHM CCOc1cc(Cl)ccc1NC([O-])=NOCC(C)(C)O ZINC000278546426 214227754 /nfs/dbraw/zinc/22/77/54/214227754.db2.gz KTESKBYOWUYHCC-UHFFFAOYSA-N -1 3 302.758 2.563 20 0 DFADHM CCOc1cc(Cl)ccc1NC(=O)[N-]OCC(C)(C)O ZINC000278546426 214227756 /nfs/dbraw/zinc/22/77/56/214227756.db2.gz KTESKBYOWUYHCC-UHFFFAOYSA-N -1 3 302.758 2.563 20 0 DFADHM Cc1nc(-c2ccc(NC([O-])=NOCC(C)(C)O)cc2)cs1 ZINC000278547386 214227825 /nfs/dbraw/zinc/22/78/25/214227825.db2.gz GZZMWGKUHQLXFF-UHFFFAOYSA-N -1 3 321.402 2.943 20 0 DFADHM Cc1nc(-c2ccc(NC(=O)[N-]OCC(C)(C)O)cc2)cs1 ZINC000278547386 214227827 /nfs/dbraw/zinc/22/78/27/214227827.db2.gz 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CO[C@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC[C@H]1C ZINC000459448214 299108759 /nfs/dbraw/zinc/10/87/59/299108759.db2.gz RWUYMHQNGFIRRQ-CJNGLKHVSA-N -1 3 313.401 2.706 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])C1(O)CCCCC1 ZINC000127964623 282963794 /nfs/dbraw/zinc/96/37/94/282963794.db2.gz PLTRUKIQKIBRPZ-UHFFFAOYSA-N -1 3 314.179 2.788 20 0 DFADHM CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000596628073 398464795 /nfs/dbraw/zinc/46/47/95/398464795.db2.gz HSFFYSTVKRDORN-LLVKDONJSA-N -1 3 323.414 2.529 20 0 DFADHM COC(=O)c1cc([O-])cc(-c2cccc(N3CCOCC3)c2)c1 ZINC000596637789 398468138 /nfs/dbraw/zinc/46/81/38/398468138.db2.gz CRMUJGDXHVQRAO-UHFFFAOYSA-N -1 3 313.353 2.682 20 0 DFADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1cc(F)cc(Cl)c1 ZINC000330768814 232055250 /nfs/dbraw/zinc/05/52/50/232055250.db2.gz YPHAMAUTMQRTMU-LBPRGKRZSA-N -1 3 321.801 2.717 20 0 DFADHM Cc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1F ZINC000028021347 398470204 /nfs/dbraw/zinc/47/02/04/398470204.db2.gz OOSDIYWEGRPWHN-UHFFFAOYSA-N -1 3 322.361 2.758 20 0 DFADHM Cc1cc([N-]C(=O)c2cc3sc(N(C)C)nc3s2)no1 ZINC000048911744 282386964 /nfs/dbraw/zinc/38/69/64/282386964.db2.gz UOQZBFHJXQHCCY-UHFFFAOYSA-N -1 3 308.388 2.973 20 0 DFADHM O=S(=O)([N-]CCc1ccsc1)c1cc(F)cc(F)c1 ZINC000049363646 282390058 /nfs/dbraw/zinc/39/00/58/282390058.db2.gz FQAFHDCYUBKKRI-UHFFFAOYSA-N -1 3 303.355 2.547 20 0 DFADHM CN(Cc1cccc([O-])c1Br)[C@@H]1CCCC[C@H]1O ZINC000459496186 299120932 /nfs/dbraw/zinc/12/09/32/299120932.db2.gz WYBPBOXXEZIEHC-VXGBXAGGSA-N -1 3 314.223 2.890 20 0 DFADHM CCO[C@H](CC)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588098021 398482168 /nfs/dbraw/zinc/48/21/68/398482168.db2.gz AIFXOSOINPTQDO-LLVKDONJSA-N -1 3 315.753 2.586 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2CC23CCC3)c1[O-] ZINC000588100981 398483295 /nfs/dbraw/zinc/48/32/95/398483295.db2.gz RPSJVDSZLCKTFM-JTQLQIEISA-N -1 3 309.749 2.961 20 0 DFADHM [O-]c1cccc(CN[C@H]2CCC[C@H]2CCO)c1Br ZINC000459495267 299121141 /nfs/dbraw/zinc/12/11/41/299121141.db2.gz 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CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccncc3)c2)n1 ZINC000049302922 398793857 /nfs/dbraw/zinc/79/38/57/398793857.db2.gz DGALCOPYCLFDJE-UHFFFAOYSA-N -1 3 320.352 2.647 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c[nH]1 ZINC000122860914 398793983 /nfs/dbraw/zinc/79/39/83/398793983.db2.gz PWYZATYPMNPKOX-HNNXBMFYSA-N -1 3 319.430 2.963 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])NC[C@H]1CC12CC2 ZINC000416259948 295935877 /nfs/dbraw/zinc/93/58/77/295935877.db2.gz QUEAXDZBFKBBOB-SNVBAGLBSA-N -1 3 310.191 2.614 20 0 DFADHM CC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)[C@H]1CC1(C)C ZINC000416276518 295937802 /nfs/dbraw/zinc/93/78/02/295937802.db2.gz MXUQLAJKKGAPMB-NEPJUHHUSA-N -1 3 307.390 2.964 20 0 DFADHM Cc1nc(CCNC(=O)Cc2ccc([O-])cc2Cl)cs1 ZINC000136115404 283235113 /nfs/dbraw/zinc/23/51/13/283235113.db2.gz GXXJNTBCTWSNPO-UHFFFAOYSA-N -1 3 310.806 2.712 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]Cc2cnc(C)s2)sc1Cl ZINC000276817582 213112830 /nfs/dbraw/zinc/11/28/30/213112830.db2.gz CYAHFZISABUNAY-UHFFFAOYSA-N -1 3 322.864 2.953 20 0 DFADHM O=S(=O)([N-]C1CCC1)c1cccc(Cl)c1Br ZINC000416506794 295951219 /nfs/dbraw/zinc/95/12/19/295951219.db2.gz KJJKUMLUKTWXCV-UHFFFAOYSA-N -1 3 324.627 2.933 20 0 DFADHM COc1cccc(C(=O)N2CCc3ccc(F)cc3C2)c1[O-] ZINC000151533233 283287777 /nfs/dbraw/zinc/28/77/77/283287777.db2.gz BUZGHJGLTTULNR-UHFFFAOYSA-N -1 3 301.317 2.738 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)O2)c(Cl)cc1F ZINC000416535642 295953100 /nfs/dbraw/zinc/95/31/00/295953100.db2.gz NCJYWKMEXGUYCN-VHSXEESVSA-N -1 3 321.801 2.633 20 0 DFADHM COc1ccc(CCCC(=O)Nc2ccncc2[O-])c(OC)c1 ZINC000151572710 283288889 /nfs/dbraw/zinc/28/88/89/283288889.db2.gz OPYOZRDAHNKBLN-UHFFFAOYSA-N -1 3 316.357 2.766 20 0 DFADHM Cc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000151586035 283289366 /nfs/dbraw/zinc/28/93/66/283289366.db2.gz KUIUBJXDEXUUGJ-UHFFFAOYSA-N -1 3 321.174 2.788 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccccc1O ZINC000151616078 283290064 /nfs/dbraw/zinc/29/00/64/283290064.db2.gz ANNHQYZKXWLBPY-UHFFFAOYSA-N -1 3 322.158 2.790 20 0 DFADHM Cc1ncc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)o1 ZINC000416556131 295954578 /nfs/dbraw/zinc/95/45/78/295954578.db2.gz YADIGSQUJHKLGQ-UHFFFAOYSA-N -1 3 318.757 2.562 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])C1(O)CCCCC1 ZINC000179656734 199071596 /nfs/dbraw/zinc/07/15/96/199071596.db2.gz NIBLAOPJFWKFOD-UHFFFAOYSA-N -1 3 314.179 2.788 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)s1 ZINC000416607689 295958045 /nfs/dbraw/zinc/95/80/45/295958045.db2.gz PWQYNKNIARLEFM-LURJTMIESA-N -1 3 316.370 2.627 20 0 DFADHM COC(=O)c1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c(C)o1 ZINC000594539376 398817389 /nfs/dbraw/zinc/81/73/89/398817389.db2.gz FEMOKVZEFMBAKQ-AATRIKPKSA-N -1 3 300.314 2.918 20 0 DFADHM CC(=O)Nc1ccc(CNC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000051403452 398821828 /nfs/dbraw/zinc/82/18/28/398821828.db2.gz NTSFXBPFUPRRFD-UHFFFAOYSA-N -1 3 312.369 2.897 20 0 DFADHM COC(=O)c1cc(CN[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)oc1C ZINC000594539990 398818180 /nfs/dbraw/zinc/81/81/80/398818180.db2.gz MJSYQNNXAPROHB-QCZZGDTMSA-N -1 3 323.389 2.600 20 0 DFADHM Cc1ccc([O-])c(CNc2cccc(N3CCOC3=O)c2C)n1 ZINC000152297539 283317089 /nfs/dbraw/zinc/31/70/89/283317089.db2.gz RNSBLRZYZOXCOJ-UHFFFAOYSA-N -1 3 313.357 2.973 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCCS1)c1ccc(F)cc1Cl ZINC000152294270 283316784 /nfs/dbraw/zinc/31/67/84/283316784.db2.gz OVHLUJZCLGHAAR-VIFPVBQESA-N -1 3 309.815 2.653 20 0 DFADHM COCCOCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000179810757 199083300 /nfs/dbraw/zinc/08/33/00/199083300.db2.gz LEUQSVYGJTVQAQ-UHFFFAOYSA-N -1 3 315.369 2.585 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H](CO)CC2CCCCC2)c1 ZINC000416662230 295961283 /nfs/dbraw/zinc/96/12/83/295961283.db2.gz PUMUOAKSEHMOFD-ZDUSSCGKSA-N -1 3 317.476 2.666 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000152342363 283319201 /nfs/dbraw/zinc/31/92/01/283319201.db2.gz QLATVNJTOFGKNH-LBPRGKRZSA-N -1 3 324.229 2.697 20 0 DFADHM CSCCCCNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000152541731 283328291 /nfs/dbraw/zinc/32/82/91/283328291.db2.gz NZNUNUZSMRHMHX-UHFFFAOYSA-N -1 3 322.405 2.849 20 0 DFADHM CC(=O)CCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000185090636 199807651 /nfs/dbraw/zinc/80/76/51/199807651.db2.gz ZDTXVDBIBOTGJW-UHFFFAOYSA-N -1 3 314.179 2.530 20 0 DFADHM CSCC[C@H](NCc1cccc(OC2CC2)c1F)C(=O)[O-] ZINC000594691922 398843020 /nfs/dbraw/zinc/84/30/20/398843020.db2.gz ZZTPWIAVHRMBRF-LBPRGKRZSA-N -1 3 313.394 2.663 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)C(C)(C)c1ccccc1 ZINC000076387777 398853157 /nfs/dbraw/zinc/85/31/57/398853157.db2.gz CZYSZCUQLAUTGU-GFCCVEGCSA-N -1 3 322.405 2.865 20 0 DFADHM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccccn2)c1 ZINC000131298260 398850835 /nfs/dbraw/zinc/85/08/35/398850835.db2.gz ZVIASLAIFGFCQV-UHFFFAOYSA-N -1 3 304.415 2.646 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)c2cc(Cl)c[nH]2)n[n-]1 ZINC000052778816 398850859 /nfs/dbraw/zinc/85/08/59/398850859.db2.gz XXUDGBBYAKFILG-UHFFFAOYSA-N -1 3 317.736 2.714 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCC[C@H](C3OCCO3)C2)c([O-])c1 ZINC000076456384 398857268 /nfs/dbraw/zinc/85/72/68/398857268.db2.gz DRNIHJVHVQSZJG-AWEZNQCLSA-N -1 3 319.401 2.741 20 0 DFADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)nn1C(C)(C)C ZINC000132681132 398857795 /nfs/dbraw/zinc/85/77/95/398857795.db2.gz MQJPCJKLXFSVJG-UHFFFAOYSA-N -1 3 305.353 2.721 20 0 DFADHM CC(=O)Nc1cc(C(=O)NCc2ccc([O-])c(F)c2)ccc1F ZINC000132676082 398857869 /nfs/dbraw/zinc/85/78/69/398857869.db2.gz LSKOPPNSMDMYKT-UHFFFAOYSA-N -1 3 320.295 2.559 20 0 DFADHM CC(C)COc1ncccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000133031988 398859669 /nfs/dbraw/zinc/85/96/69/398859669.db2.gz LYKLVDHTJPPVAT-UHFFFAOYSA-N -1 3 318.348 2.891 20 0 DFADHM O=S(=O)([N-][C@H]1CCC[C@H]1c1ccccc1)c1ccccn1 ZINC000131976383 398854376 /nfs/dbraw/zinc/85/43/76/398854376.db2.gz UIXJVLXHPDZIAW-GJZGRUSLSA-N -1 3 302.399 2.696 20 0 DFADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)C1CCCC1)c1c[nH]cn1 ZINC000153127331 283353828 /nfs/dbraw/zinc/35/38/28/283353828.db2.gz AKHYNPVGUUXCMH-OAHLLOKOSA-N -1 3 323.393 2.759 20 0 DFADHM COc1ccc(NC(=O)CSCc2cscn2)c([O-])c1 ZINC000135413282 398870423 /nfs/dbraw/zinc/87/04/23/398870423.db2.gz AHRPCRKXDXXKIX-UHFFFAOYSA-N -1 3 310.400 2.729 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)Cc1ccco1 ZINC000598826574 398880092 /nfs/dbraw/zinc/88/00/92/398880092.db2.gz QNLDBOOTPCNPHA-JTQLQIEISA-N -1 3 320.345 2.824 20 0 DFADHM CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000180756959 199205030 /nfs/dbraw/zinc/20/50/30/199205030.db2.gz FXGNLANPSMEPCS-ZDUSSCGKSA-N -1 3 312.797 2.843 20 0 DFADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1cc(F)ccc1Cl ZINC000180760376 199205432 /nfs/dbraw/zinc/20/54/32/199205432.db2.gz MTEABMQUOHSVPV-NSHDSACASA-N -1 3 321.801 2.717 20 0 DFADHM Cc1ccc(C(=O)Nc2cccnc2OCC(F)F)c([O-])c1 ZINC000153385280 283365814 /nfs/dbraw/zinc/36/58/14/283365814.db2.gz IGLFPOXIUTUIPZ-UHFFFAOYSA-N -1 3 308.284 2.992 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)c(F)cc1F ZINC000180770351 199207219 /nfs/dbraw/zinc/20/72/19/199207219.db2.gz CNGYXKDLCVRUTD-LLVKDONJSA-N -1 3 319.373 2.511 20 0 DFADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1ccc(Cl)s1 ZINC000180779406 199208088 /nfs/dbraw/zinc/20/80/88/199208088.db2.gz PAKVTZOBEBHELE-VIFPVBQESA-N -1 3 309.840 2.639 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC000598847655 398883882 /nfs/dbraw/zinc/88/38/82/398883882.db2.gz OTOVHSNRSBYLKL-QWHCGFSZSA-N -1 3 313.357 2.555 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC000598847655 398883883 /nfs/dbraw/zinc/88/38/83/398883883.db2.gz OTOVHSNRSBYLKL-QWHCGFSZSA-N -1 3 313.357 2.555 20 0 DFADHM Cc1ccccc1C(=O)NCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153462576 283369619 /nfs/dbraw/zinc/36/96/19/283369619.db2.gz GIHBOZICEOGNAR-UHFFFAOYSA-N -1 3 318.760 2.723 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(-n3cccn3)cc2)n1 ZINC000180823473 199214097 /nfs/dbraw/zinc/21/40/97/199214097.db2.gz BTFCZWXYSRFMJW-ZDUSSCGKSA-N -1 3 323.400 2.781 20 0 DFADHM Cc1ccc(C[C@@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000180874219 199222295 /nfs/dbraw/zinc/22/22/95/199222295.db2.gz FOEBWWGSTHRPCQ-SECBINFHSA-N -1 3 312.295 2.949 20 0 DFADHM Cc1ccc(C[C@@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000180874219 199222297 /nfs/dbraw/zinc/22/22/97/199222297.db2.gz FOEBWWGSTHRPCQ-SECBINFHSA-N -1 3 312.295 2.949 20 0 DFADHM O=C(CCCNC(=O)c1ccco1)Nc1ccc(Cl)cc1[O-] ZINC000153501424 283371656 /nfs/dbraw/zinc/37/16/56/283371656.db2.gz BSFMHOZRNJXKEK-UHFFFAOYSA-N -1 3 322.748 2.787 20 0 DFADHM CC(=O)NCC1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000077222167 398889760 /nfs/dbraw/zinc/88/97/60/398889760.db2.gz IREHIEBLLRTLRD-UHFFFAOYSA-N -1 3 318.417 2.504 20 0 DFADHM CCO[C@@H](CCNC(=O)c1ccc(O)cc1[O-])C1CCCC1 ZINC000175552479 283407456 /nfs/dbraw/zinc/40/74/56/283407456.db2.gz OGVHHKUQOXQPSJ-INIZCTEOSA-N -1 3 307.390 2.813 20 0 DFADHM CC(C)(CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCCCC1 ZINC000176943713 283423954 /nfs/dbraw/zinc/42/39/54/283423954.db2.gz OWABFTQMUITVNN-UHFFFAOYSA-N -1 3 312.360 2.665 20 0 DFADHM COc1ccc(COCCCC(=O)Nc2ncccc2[O-])cc1 ZINC000089603953 192825476 /nfs/dbraw/zinc/82/54/76/192825476.db2.gz XNSTWHPZBLYFLP-UHFFFAOYSA-N -1 3 316.357 2.731 20 0 DFADHM O=C(N[C@H]1CC[C@@H](CO)CC1)c1ccc2c(c1[O-])CCCC2 ZINC000183293213 283455322 /nfs/dbraw/zinc/45/53/22/283455322.db2.gz NRSKOSYHCMFLLU-MQMHXKEQSA-N -1 3 303.402 2.552 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)c1 ZINC000187318953 200094977 /nfs/dbraw/zinc/09/49/77/200094977.db2.gz MTCINDNODVABKJ-HOCLYGCPSA-N -1 3 307.390 2.724 20 0 DFADHM COCCC1(CNC(=O)c2ccc3n[n-]nc3c2)CCCCC1 ZINC000187488316 200118801 /nfs/dbraw/zinc/11/88/01/200118801.db2.gz DBZAZVTXYSFELY-UHFFFAOYSA-N -1 3 316.405 2.675 20 0 DFADHM COC(=O)c1cnc(SCC(=O)c2cc(C)ccc2C)[n-]1 ZINC000187584334 200130968 /nfs/dbraw/zinc/13/09/68/200130968.db2.gz NAQGVCUMXRJIHU-UHFFFAOYSA-N -1 3 304.371 2.788 20 0 DFADHM COC(=O)c1cnc(SCCCCCn2cc(C)cn2)[n-]1 ZINC000187588007 200131124 /nfs/dbraw/zinc/13/11/24/200131124.db2.gz 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CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)CCO1 ZINC000420729711 296199130 /nfs/dbraw/zinc/19/91/30/296199130.db2.gz QMXLMRDKBRMFOO-GHMZBOCLSA-N -1 3 319.373 2.509 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)[C@H](O)c2ccccc2)c1F ZINC000288501713 220183851 /nfs/dbraw/zinc/18/38/51/220183851.db2.gz XGLNZZGBTBXYKE-LRDDRELGSA-N -1 3 323.389 2.535 20 0 DFADHM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2O)C12CCC2 ZINC000622175076 399214509 /nfs/dbraw/zinc/21/45/09/399214509.db2.gz YFCDOOMAJKBOTJ-ZIAGYGMSSA-N -1 3 319.401 2.954 20 0 DFADHM O=S(=O)([N-]Cc1ccc[nH]1)c1c(Cl)cccc1Cl ZINC000081183582 399214714 /nfs/dbraw/zinc/21/47/14/399214714.db2.gz IDQWCVZMTDYSGQ-UHFFFAOYSA-N -1 3 305.186 2.800 20 0 DFADHM C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000273468672 296202819 /nfs/dbraw/zinc/20/28/19/296202819.db2.gz HUEGCOXSVDHSCM-MLGOLLRUSA-N -1 3 303.402 2.647 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCC[C@H]3CC3(F)F)c([O-])c2O1 ZINC000622200617 399223325 /nfs/dbraw/zinc/22/33/25/399223325.db2.gz 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2.801 20 0 DFADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000481000661 543398822 /nfs/dbraw/zinc/39/88/22/543398822.db2.gz BPLZWJXXELYQEH-VIFPVBQESA-N -1 3 310.341 2.671 20 0 DFADHM O=C([O-])c1ccc(CNCc2ccc(-n3cccn3)cc2)cc1 ZINC000354358165 147006113 /nfs/dbraw/zinc/00/61/13/147006113.db2.gz QPXGXWITCRUXCM-UHFFFAOYSA-N -1 3 307.353 2.860 20 0 DFADHM O=c1[n-]c(-c2cccc(OCC(F)(F)F)n2)nc2cccnc12 ZINC000491608299 543406969 /nfs/dbraw/zinc/40/69/69/543406969.db2.gz WRIHLNOWFZIZSL-UHFFFAOYSA-N -1 3 322.246 2.734 20 0 DFADHM COc1ccc(Cl)cc1Cc1nc2cccnc2c(=O)[n-]1 ZINC000491597695 543407004 /nfs/dbraw/zinc/40/70/04/543407004.db2.gz YDRKGZAHFGUKMT-UHFFFAOYSA-N -1 3 301.733 2.983 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)ccc1[O-] ZINC000354428733 147033765 /nfs/dbraw/zinc/03/37/65/147033765.db2.gz VQCXBYLZSJPYFW-AWEZNQCLSA-N -1 3 313.401 2.529 20 0 DFADHM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1c[n-]nc1-c1ccccn1 ZINC000354673351 147112967 /nfs/dbraw/zinc/11/29/67/147112967.db2.gz 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/nfs/dbraw/zinc/16/57/02/292165702.db2.gz FRZNFHOFGHKDCE-UHFFFAOYSA-N -1 3 308.769 2.858 20 0 DFADHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000355623217 147388113 /nfs/dbraw/zinc/38/81/13/147388113.db2.gz VLRNTMQFMCSOIE-CYBMUJFWSA-N -1 3 313.467 2.857 20 0 DFADHM CCN(C(=O)c1csc(=O)[n-]1)[C@H](COC)Cc1ccccc1 ZINC000350126901 286008228 /nfs/dbraw/zinc/00/82/28/286008228.db2.gz RSNMSDBDDCXXHP-ZDUSSCGKSA-N -1 3 320.414 2.569 20 0 DFADHM CCN(C(=O)c1csc(=O)[n-]1)[C@@H](COC)Cc1ccccc1 ZINC000350126900 286008291 /nfs/dbraw/zinc/00/82/91/286008291.db2.gz RSNMSDBDDCXXHP-CYBMUJFWSA-N -1 3 320.414 2.569 20 0 DFADHM O=S(=O)(CCc1cccs1)[N-]c1ccc2nccnc2c1 ZINC000357554383 148033763 /nfs/dbraw/zinc/03/37/63/148033763.db2.gz WVQBXHMVPYQETH-UHFFFAOYSA-N -1 3 319.411 2.676 20 0 DFADHM O=c1[n-]cnc2c1CN(c1ncc(-c3ccccc3)s1)CC2 ZINC000357690555 148086320 /nfs/dbraw/zinc/08/63/20/148086320.db2.gz ZURRYJSKCKLTKI-UHFFFAOYSA-N -1 3 310.382 2.868 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@@H]3CC3(F)F)nc2)n1 ZINC000621345048 543483493 /nfs/dbraw/zinc/48/34/93/543483493.db2.gz AYFYOJYHHLWKMI-LLVKDONJSA-N -1 3 320.343 3.264 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(C)c2)c(F)c1 ZINC000358045617 148225080 /nfs/dbraw/zinc/22/50/80/148225080.db2.gz HUEXRCDSSPVMAN-UHFFFAOYSA-N -1 3 309.362 2.621 20 0 DFADHM Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000358148935 148261480 /nfs/dbraw/zinc/26/14/80/148261480.db2.gz KNKOJLFCXOXKGE-BZNIZROVSA-N -1 3 303.333 2.943 20 0 DFADHM O=C(Nc1ccncc1[O-])[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000358354855 148339882 /nfs/dbraw/zinc/33/98/82/148339882.db2.gz OFJQXTZUYPHDGL-BDAKNGLRSA-N -1 3 306.724 2.744 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCCCOCc2ccccc2)o1 ZINC000358421961 148354733 /nfs/dbraw/zinc/35/47/33/148354733.db2.gz AGWMSCLZPKLFOX-UHFFFAOYSA-N -1 3 323.414 2.863 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)COc2cccc(C)c2)o1 ZINC000358424946 148356776 /nfs/dbraw/zinc/35/67/76/148356776.db2.gz GWKRWYGERJPSHI-LBPRGKRZSA-N -1 3 309.387 2.642 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCO[C@@H]1c1cccnc1 ZINC000358611831 148397979 /nfs/dbraw/zinc/39/79/79/148397979.db2.gz OKWUYGOYXPMQEY-IUODEOHRSA-N -1 3 302.305 2.643 20 0 DFADHM CC[C@H](C)n1ncc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)c1C ZINC000359077639 148548471 /nfs/dbraw/zinc/54/84/71/148548471.db2.gz ZJKKJDFUAIXELW-QWRGUYRKSA-N -1 3 305.382 2.898 20 0 DFADHM CCc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1Cl ZINC000350484872 286048718 /nfs/dbraw/zinc/04/87/18/286048718.db2.gz WZZBAHUSBASFJR-GFCCVEGCSA-N -1 3 303.811 2.823 20 0 DFADHM Cc1c(F)cccc1NC(=O)CC[S@@](=O)c1cccc([O-])c1 ZINC000350561468 286059525 /nfs/dbraw/zinc/05/95/25/286059525.db2.gz XKBSEDMQZXCIOQ-JOCHJYFZSA-N -1 3 321.373 2.976 20 0 DFADHM O=C1Nc2ccccc2[C@H]1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000350583212 286061149 /nfs/dbraw/zinc/06/11/49/286061149.db2.gz RMAPZOUXZKHODT-CYBMUJFWSA-N -1 3 307.309 2.721 20 0 DFADHM Cc1cc(C(F)(F)F)ccc1/C=C/C(=O)[N-]O[C@@H]1CCOC1 ZINC000493092586 299713744 /nfs/dbraw/zinc/71/37/44/299713744.db2.gz NIFQKPOGFIDWAN-MASHWEEQSA-N -1 3 315.291 2.864 20 0 DFADHM COc1ccc(C[C@H](C)CN(C)C(=O)c2csc(=O)[n-]2)cc1 ZINC000350667420 286071649 /nfs/dbraw/zinc/07/16/49/286071649.db2.gz BOIDNUFZRSGWIO-NSHDSACASA-N -1 3 320.414 2.808 20 0 DFADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCN(CC(F)(F)F)C1 ZINC000350699190 286075157 /nfs/dbraw/zinc/07/51/57/286075157.db2.gz GGZMRTIKMSRPNR-MRVPVSSYSA-N -1 3 322.714 2.868 20 0 DFADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)cc1F ZINC000360994467 149002776 /nfs/dbraw/zinc/00/27/76/149002776.db2.gz DQMZJNNWOAIFGE-UHFFFAOYSA-N -1 3 322.649 2.546 20 0 DFADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)cc1F ZINC000360994467 149002777 /nfs/dbraw/zinc/00/27/77/149002777.db2.gz DQMZJNNWOAIFGE-UHFFFAOYSA-N -1 3 322.649 2.546 20 0 DFADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1F ZINC000360994467 149002779 /nfs/dbraw/zinc/00/27/79/149002779.db2.gz DQMZJNNWOAIFGE-UHFFFAOYSA-N -1 3 322.649 2.546 20 0 DFADHM CCN1CCC[C@H](N=c2[n-]c(-c3cccc(Cl)c3)no2)C1 ZINC000350697338 286074919 /nfs/dbraw/zinc/07/49/19/286074919.db2.gz YQJDODYBFFPIPP-ZDUSSCGKSA-N -1 3 306.797 2.708 20 0 DFADHM CC(=O)c1cnccc1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000350761852 286083895 /nfs/dbraw/zinc/08/38/95/286083895.db2.gz GHSDKRZPBQZVON-UHFFFAOYSA-N -1 3 307.309 2.613 20 0 DFADHM COc1cccc(Cl)c1CC(=O)Nc1nc(C)ccc1[O-] ZINC000361344870 149091636 /nfs/dbraw/zinc/09/16/36/149091636.db2.gz XDRFSOIVNINYPX-UHFFFAOYSA-N -1 3 306.749 2.939 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N[C@H](C)C[C@@H]3CCCO3)c[n-]c12 ZINC000361398752 149106066 /nfs/dbraw/zinc/10/60/66/149106066.db2.gz WLDKFHYPGBOVKS-OLZOCXBDSA-N -1 3 314.385 2.524 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N[C@H](C)C[C@H]3CCCO3)c[n-]c12 ZINC000361398751 149106381 /nfs/dbraw/zinc/10/63/81/149106381.db2.gz WLDKFHYPGBOVKS-CHWSQXEVSA-N -1 3 314.385 2.524 20 0 DFADHM C[C@H](CCC(C)(C)C)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000361457128 149120500 /nfs/dbraw/zinc/12/05/00/149120500.db2.gz LTEHMCKIPUCSME-MRVPVSSYSA-N -1 3 321.347 2.838 20 0 DFADHM C[C@H](CCC(C)(C)C)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000361457128 149120504 /nfs/dbraw/zinc/12/05/04/149120504.db2.gz LTEHMCKIPUCSME-MRVPVSSYSA-N -1 3 321.347 2.838 20 0 DFADHM C[C@H](CCC(C)(C)C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361457128 149120508 /nfs/dbraw/zinc/12/05/08/149120508.db2.gz LTEHMCKIPUCSME-MRVPVSSYSA-N -1 3 321.347 2.838 20 0 DFADHM CN(C)c1nc(C(=O)Nc2cccc3ccccc32)cc(=O)[n-]1 ZINC000361483946 149127765 /nfs/dbraw/zinc/12/77/65/149127765.db2.gz IAODPDCZXRIDMR-UHFFFAOYSA-N -1 3 308.341 2.654 20 0 DFADHM c1cc(OCC2CC2)ccc1CNC1(c2nn[n-]n2)CCCC1 ZINC000361586933 149157579 /nfs/dbraw/zinc/15/75/79/149157579.db2.gz NJBWBBUGGGCNRJ-UHFFFAOYSA-N -1 3 313.405 2.548 20 0 DFADHM c1cc(OCC2CC2)ccc1CNC1(c2nnn[n-]2)CCCC1 ZINC000361586933 149157581 /nfs/dbraw/zinc/15/75/81/149157581.db2.gz NJBWBBUGGGCNRJ-UHFFFAOYSA-N -1 3 313.405 2.548 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N[C@@H](C)Cc3ccncc3)c[n-]c12 ZINC000361601608 149163761 /nfs/dbraw/zinc/16/37/61/149163761.db2.gz JVTZURHOZBBSKF-ZDUSSCGKSA-N 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OJOBVXGJCWUYIW-UHFFFAOYSA-N -1 3 314.345 2.973 20 0 DFADHM COc1cc(C(=O)NCCOc2ccc(C)cc2)ccc1[O-] ZINC000362393463 149296169 /nfs/dbraw/zinc/29/61/69/149296169.db2.gz LQTLPOVQNGQKOU-UHFFFAOYSA-N -1 3 301.342 2.518 20 0 DFADHM COc1ccc(Cc2noc(/C=C\c3cncc([O-])c3)n2)cc1 ZINC000362720783 149350214 /nfs/dbraw/zinc/35/02/14/149350214.db2.gz AHEWJNZOKPBMRD-DAXSKMNVSA-N -1 3 309.325 2.940 20 0 DFADHM CC(C)(C)/C=C\C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000493118053 299718487 /nfs/dbraw/zinc/71/84/87/299718487.db2.gz LNZZRDDQWDBXRJ-ZADCQDASSA-N -1 3 320.355 2.506 20 0 DFADHM CCc1cc(C(=O)N[C@@H](C)C(=O)Nc2ccccc2)ccc1[O-] ZINC000362795505 149366897 /nfs/dbraw/zinc/36/68/97/149366897.db2.gz JCBKCAFBGSAIHA-LBPRGKRZSA-N -1 3 312.369 2.712 20 0 DFADHM NC(=O)c1ccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cn1 ZINC000362912253 149394748 /nfs/dbraw/zinc/39/47/48/149394748.db2.gz LUEVOTHSVZPPDV-UHFFFAOYSA-N -1 3 320.761 2.629 20 0 DFADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cn1 ZINC000351288969 286120115 /nfs/dbraw/zinc/12/01/15/286120115.db2.gz MMNAEFHIUKOOJT-UHFFFAOYSA-N -1 3 314.313 2.559 20 0 DFADHM O=C(NC1CCN(Cc2cccs2)CC1)c1ccccc1[O-] ZINC000367444870 149601575 /nfs/dbraw/zinc/60/15/75/149601575.db2.gz LFYGSZRQXPTXBD-UHFFFAOYSA-N -1 3 316.426 2.848 20 0 DFADHM CCC[C@H](NC(C)C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000351300751 286120409 /nfs/dbraw/zinc/12/04/09/286120409.db2.gz KRWYZMLFPWZQGW-AWEZNQCLSA-N -1 3 316.405 2.888 20 0 DFADHM O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc2n[n-]nc2c1 ZINC000351404146 286124928 /nfs/dbraw/zinc/12/49/28/286124928.db2.gz PMRKWXYEJOKKKI-UHFFFAOYSA-N -1 3 310.332 2.773 20 0 DFADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCOC1)c1cccs1 ZINC000371389787 150037884 /nfs/dbraw/zinc/03/78/84/150037884.db2.gz SQXRXVYOKCPXJQ-DZGCQCFKSA-N -1 3 323.439 2.804 20 0 DFADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](C)OC)c2)n1 ZINC000371491121 150055404 /nfs/dbraw/zinc/05/54/04/150055404.db2.gz LMRBCTXDMPORGA-LLVKDONJSA-N -1 3 315.373 2.775 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)c([O-])c1 ZINC000371559405 150065007 /nfs/dbraw/zinc/06/50/07/150065007.db2.gz HTFIDHKVWXGBKQ-GOSISDBHSA-N -1 3 315.344 2.573 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)c([O-])c1 ZINC000371559406 150065823 /nfs/dbraw/zinc/06/58/23/150065823.db2.gz HTFIDHKVWXGBKQ-SFHVURJKSA-N -1 3 315.344 2.573 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000371581037 150067905 /nfs/dbraw/zinc/06/79/05/150067905.db2.gz FPHCWEWZHNXIKU-UKRRQHHQSA-N -1 3 321.804 2.948 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CC[C@H](n3cc4ccccc4n3)C2)n1 ZINC000371655543 150075957 /nfs/dbraw/zinc/07/59/57/150075957.db2.gz LTPMDORPCIHTTL-HNNXBMFYSA-N -1 3 323.400 2.541 20 0 DFADHM CO[C@H](C)CCC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000371704220 150083651 /nfs/dbraw/zinc/08/36/51/150083651.db2.gz UKQDPVWRHQUCEP-GFCCVEGCSA-N -1 3 315.373 2.911 20 0 DFADHM Cc1ccc([O-])c(CNCc2ncc(-c3ccccc3)cn2)n1 ZINC000372037221 150127761 /nfs/dbraw/zinc/12/77/61/150127761.db2.gz 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/nfs/dbraw/zinc/18/23/53/150182353.db2.gz KPCZNTARRXUEEG-IBGZPJMESA-N -1 3 311.381 2.602 20 0 DFADHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000351609235 286167955 /nfs/dbraw/zinc/16/79/55/286167955.db2.gz QSORFSAAMUIHFC-XADBCAIWSA-N -1 3 324.229 2.599 20 0 DFADHM CSc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c([O-])c1 ZINC000373062308 150225078 /nfs/dbraw/zinc/22/50/78/150225078.db2.gz BZSSFRGPLOLTBT-GFCCVEGCSA-N -1 3 317.414 2.615 20 0 DFADHM CSc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([O-])c1 ZINC000373070939 150226191 /nfs/dbraw/zinc/22/61/91/150226191.db2.gz QMPKKEJNSZMPPZ-BNOWGMLFSA-N -1 3 307.415 2.657 20 0 DFADHM O=C([O-])CCCCCNCc1csc(-c2ccccn2)n1 ZINC000426695686 296636295 /nfs/dbraw/zinc/63/62/95/296636295.db2.gz KNZQYZQXGOZLEA-UHFFFAOYSA-N -1 3 305.403 2.940 20 0 DFADHM O=C([O-])[C@H](Cc1ccccc1)NCc1cc(F)c(F)c(F)c1 ZINC000426699250 296636878 /nfs/dbraw/zinc/63/68/78/296636878.db2.gz HFFDLYLGXMRPRA-AWEZNQCLSA-N -1 3 309.287 2.889 20 0 DFADHM CCc1nccn1C[C@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000374272642 150334417 /nfs/dbraw/zinc/33/44/17/150334417.db2.gz WYZDBHCBTMIAPV-CQSZACIVSA-N -1 3 313.401 2.764 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])[C@]1(O)CCc2ccccc2C1 ZINC000375060278 150394424 /nfs/dbraw/zinc/39/44/24/150394424.db2.gz RWRLOAYGIMOOSA-KRWDZBQOSA-N -1 3 317.772 2.904 20 0 DFADHM O=C([N-]Cc1cnc2n1CCCC2)C(F)(F)c1ccccc1F ZINC000375072467 150396870 /nfs/dbraw/zinc/39/68/70/150396870.db2.gz WAHDWICTZAQHRP-UHFFFAOYSA-N -1 3 323.318 2.767 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@H]2c2nccs2)c1[O-] ZINC000375068771 150397023 /nfs/dbraw/zinc/39/70/23/150397023.db2.gz OYMMWZAGEJQEFS-NSHDSACASA-N -1 3 304.371 2.835 20 0 DFADHM Cc1cccc(NC2CCN(C(=O)c3csc(=O)[n-]3)CC2)c1 ZINC000375075554 150398180 /nfs/dbraw/zinc/39/81/80/150398180.db2.gz VDDCFXDSGRXTPW-UHFFFAOYSA-N -1 3 317.414 2.874 20 0 DFADHM Cc1cnn(C[C@@H](NCc2ccc(C(C)(C)C)cc2)C(=O)[O-])c1 ZINC000426754169 296639683 /nfs/dbraw/zinc/63/96/83/296639683.db2.gz OEGOMNOIFSEPGM-MRXNPFEDSA-N -1 3 315.417 2.732 20 0 DFADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1F ZINC000426807105 296641527 /nfs/dbraw/zinc/64/15/27/296641527.db2.gz METHBMMEPQYPJY-HNNXBMFYSA-N -1 3 307.296 2.889 20 0 DFADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccccn1)c1ccoc1 ZINC000351700226 286197180 /nfs/dbraw/zinc/19/71/80/286197180.db2.gz KIEBGWTZXGWSBP-INIZCTEOSA-N -1 3 314.366 2.743 20 0 DFADHM CC[C@H]1CN(Cc2cccc([O-])c2Cl)C[C@H]1N1CCOCC1 ZINC000351735817 286206024 /nfs/dbraw/zinc/20/60/24/286206024.db2.gz OHAGKVMRYXKSCF-DZGCQCFKSA-N -1 3 324.852 2.588 20 0 DFADHM [O-]c1ccc(F)c(CNc2cccc(Cn3cncn3)c2)c1F ZINC000351834518 286228976 /nfs/dbraw/zinc/22/89/76/286228976.db2.gz VNRQLBJTLSDXPS-UHFFFAOYSA-N -1 3 316.311 2.922 20 0 DFADHM O=C1C[C@H]([C@@H]2CCCCN2Cc2cccc([O-])c2Cl)CN1 ZINC000351835053 286229323 /nfs/dbraw/zinc/22/93/23/286229323.db2.gz WGCYRQDIKPXUME-STQMWFEESA-N -1 3 308.809 2.536 20 0 DFADHM COc1cc2c(c(CN3CCC[C@H](C(=O)[O-])[C@@H]3C)c1)O[C@H](C)C2 ZINC000263090764 286250370 /nfs/dbraw/zinc/25/03/70/286250370.db2.gz UIUHLBDFVUMAPG-WQGACYEGSA-N -1 3 319.401 2.704 20 0 DFADHM C[C@@H](O[N-]C(=O)/C=C/c1ccc(C(N)=O)cc1)c1ccccc1 ZINC000493230352 299740261 /nfs/dbraw/zinc/74/02/61/299740261.db2.gz WPJJHJGUFQPQNY-CNELAYHGSA-N -1 3 310.353 2.608 20 0 DFADHM COC(=O)[C@H](c1ccccc1)N(C)Cc1cc([O-])cc(F)c1 ZINC000351988901 286262721 /nfs/dbraw/zinc/26/27/21/286262721.db2.gz NGGCSYZNOIHZSZ-INIZCTEOSA-N -1 3 303.333 2.877 20 0 DFADHM O=C1CN(Cc2cc([O-])cc(F)c2)CCN1c1cccc(F)c1 ZINC000351982315 286260011 /nfs/dbraw/zinc/26/00/11/286260011.db2.gz NZWJXTGBAQYKJM-UHFFFAOYSA-N -1 3 318.323 2.519 20 0 DFADHM O=c1cc(C=Cc2cccc3c2OCO3)nc(-c2ccncc2)[n-]1 ZINC000352028767 286273710 /nfs/dbraw/zinc/27/37/10/286273710.db2.gz VYOCKUBSDZVITE-SNAWJCMRSA-N -1 3 319.320 2.731 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)c([O-])c1 ZINC000187313354 286287203 /nfs/dbraw/zinc/28/72/03/286287203.db2.gz NDDGARHGTQHGIL-ZBFHGGJFSA-N -1 3 307.390 2.724 20 0 DFADHM Cc1nnc(N(C)C(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000427727309 296666145 /nfs/dbraw/zinc/66/61/45/296666145.db2.gz QATCXPUNYONMLQ-UHFFFAOYSA-N -1 3 309.366 2.677 20 0 DFADHM CCc1c(C(=O)NCc2ccc([O-])c(F)c2)cnn1C(C)(C)C ZINC000427950309 296672981 /nfs/dbraw/zinc/67/29/81/296672981.db2.gz MVEYRHGKZQQMEW-UHFFFAOYSA-N -1 3 319.380 2.975 20 0 DFADHM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccc([O-])c1 ZINC000427962345 296673511 /nfs/dbraw/zinc/67/35/11/296673511.db2.gz FHRCRPBOMCDTME-HNNXBMFYSA-N -1 3 305.374 2.634 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c2n[nH]cc21 ZINC000352200737 286317576 /nfs/dbraw/zinc/31/75/76/286317576.db2.gz NIHRFWKAEZDOAY-QWRGUYRKSA-N -1 3 322.434 2.506 20 0 DFADHM COc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)ccc1[O-] ZINC000352225078 286322454 /nfs/dbraw/zinc/32/24/54/286322454.db2.gz CJWDAGYHNTVWQG-SCZZXKLOSA-N -1 3 303.280 2.814 20 0 DFADHM COc1ccc([O-])c(C(=O)N2Cc3ccccc3OC[C@@H]2C)c1 ZINC000272926304 286338057 /nfs/dbraw/zinc/33/80/57/286338057.db2.gz JKAXPMDFVBPMPR-LBPRGKRZSA-N -1 3 313.353 2.824 20 0 DFADHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000352318573 286343197 /nfs/dbraw/zinc/34/31/97/286343197.db2.gz BNQBLBWCKJXTPW-XCBNKYQSSA-N -1 3 309.815 2.509 20 0 DFADHM CCC[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCOC1 ZINC000352328544 286344785 /nfs/dbraw/zinc/34/47/85/286344785.db2.gz HZPOWPVGQJHJLN-CYBMUJFWSA-N -1 3 321.801 2.717 20 0 DFADHM [O-]c1ccc(F)c(CNCc2nccn2CC(F)(F)F)c1F ZINC000352375525 286357553 /nfs/dbraw/zinc/35/75/53/286357553.db2.gz AIOFKNIVDZUGQX-UHFFFAOYSA-N -1 3 321.249 2.719 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@H](C)[C@H](C)c2ccccc2)c(=O)[n-]1 ZINC000352380394 286358655 /nfs/dbraw/zinc/35/86/55/286358655.db2.gz HWPWBKGXCBPXGV-NWDGAFQWSA-N -1 3 313.401 2.650 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)NCc2ncccc2[O-])o1 ZINC000352500060 286389605 /nfs/dbraw/zinc/38/96/05/286389605.db2.gz JFKHLDLJLQFQQO-MROQNXINSA-N -1 3 312.369 2.924 20 0 DFADHM COc1cc(C(=O)NCc2ncccc2[O-])ccc1OC(C)C ZINC000352502641 286390359 /nfs/dbraw/zinc/39/03/59/286390359.db2.gz XAXRWZAOIOQKQA-UHFFFAOYSA-N -1 3 316.357 2.513 20 0 DFADHM O=C(CCCc1c[nH]c2ccccc12)NCc1ncccc1[O-] ZINC000352502625 286390405 /nfs/dbraw/zinc/39/04/05/286390405.db2.gz WXGGVYQCHXWAIN-UHFFFAOYSA-N -1 3 309.369 2.908 20 0 DFADHM COc1ccc(CCCCC(=O)NCc2ncccc2[O-])cc1 ZINC000352510261 286393156 /nfs/dbraw/zinc/39/31/56/286393156.db2.gz RWWWCTBCHWBICH-UHFFFAOYSA-N -1 3 314.385 2.825 20 0 DFADHM Cc1cc(Br)cc(C(=O)NCc2ncccc2[O-])c1 ZINC000352514976 286394386 /nfs/dbraw/zinc/39/43/86/286394386.db2.gz DJBJQUZXJCRHDY-UHFFFAOYSA-N -1 3 321.174 2.788 20 0 DFADHM Cc1ccccc1OCCCC(=O)NCc1ncccc1[O-] ZINC000352514435 286394488 /nfs/dbraw/zinc/39/44/88/286394488.db2.gz AWXVQSMPYMQUNJ-UHFFFAOYSA-N -1 3 300.358 2.571 20 0 DFADHM Cc1nc(CC(C)C)c(C(=O)NCc2ncccc2[O-])s1 ZINC000352516068 286394696 /nfs/dbraw/zinc/39/46/96/286394696.db2.gz JMNGZZTVFKNNMU-UHFFFAOYSA-N -1 3 305.403 2.681 20 0 DFADHM CSCc1cc(C(=O)NCc2ncccc2[O-])ccc1F ZINC000352517328 286395059 /nfs/dbraw/zinc/39/50/59/286395059.db2.gz PFPGVMYGDDAUKD-UHFFFAOYSA-N -1 3 306.362 2.719 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000352517866 286395357 /nfs/dbraw/zinc/39/53/57/286395357.db2.gz TXBZIXGRMGXWPE-VHSXEESVSA-N -1 3 320.751 3.000 20 0 DFADHM Cc1cc(C)n(-c2ccc(C(=O)NCc3ncccc3[O-])cc2)n1 ZINC000352518231 286395704 /nfs/dbraw/zinc/39/57/04/286395704.db2.gz VXPFGCHQNGXHOL-UHFFFAOYSA-N -1 3 322.368 2.520 20 0 DFADHM O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ncccc1[O-] ZINC000352506022 286391689 /nfs/dbraw/zinc/39/16/89/286391689.db2.gz CNNUWXXBTGYUQC-UHFFFAOYSA-N -1 3 318.760 2.720 20 0 DFADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ncccc1[O-] ZINC000352506626 286391937 /nfs/dbraw/zinc/39/19/37/286391937.db2.gz HSZBBMOAKNDFCB-NSHDSACASA-N -1 3 304.777 2.936 20 0 DFADHM COc1cccc([C@H]2C[C@H](NC(=O)/C=C\c3cncc([O-])c3)C2)c1 ZINC000493364947 299765609 /nfs/dbraw/zinc/76/56/09/299765609.db2.gz FFOXXLJEVIRWKT-QTKFVLMYSA-N -1 3 324.380 2.871 20 0 DFADHM CC(=O)N[C@@H](C)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000352960873 286513946 /nfs/dbraw/zinc/51/39/46/286513946.db2.gz GSKCDZBPIUPSRL-NSHDSACASA-N -1 3 310.825 2.782 20 0 DFADHM C[C@]1(CCNC(=O)/C=C/c2cncc([O-])c2)CC1(Cl)Cl ZINC000493462105 299785817 /nfs/dbraw/zinc/78/58/17/299785817.db2.gz WGIGGXQZDKBKRB-IBUXWKBASA-N -1 3 315.200 2.891 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@@H]2[C@H](C)[C@H](OC)C2(CC)CC)n1 ZINC000429310841 296742107 /nfs/dbraw/zinc/74/21/07/296742107.db2.gz XRAZJSKNCYNMJT-XZJROXQQSA-N -1 3 307.438 2.674 20 0 DFADHM CCO[C@H]1C[C@@H](NCc2nc(CC)cc(=O)[n-]2)C1(CC)CC ZINC000429340474 296744005 /nfs/dbraw/zinc/74/40/05/296744005.db2.gz IZVCLOLJRZFCMQ-KGLIPLIRSA-N -1 3 307.438 2.818 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@](C)(c2noc(C)n2)C2CC2)c1 ZINC000353407445 286637033 /nfs/dbraw/zinc/63/70/33/286637033.db2.gz FXTLLOWRBGYTED-KRWDZBQOSA-N -1 3 315.373 2.701 20 0 DFADHM Cc1nc([C@@](C)(NC(=O)c2cc([O-])ccc2Cl)C2CC2)no1 ZINC000353466024 286654764 /nfs/dbraw/zinc/65/47/64/286654764.db2.gz 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312.782 2.586 20 0 DFADHM COc1nc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)n[n-]1 ZINC000158864507 425950202 /nfs/dbraw/zinc/95/02/02/425950202.db2.gz JIYUATSZZXQGET-ZETCQYMHSA-N -1 3 312.782 2.586 20 0 DFADHM COc1n[n-]c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)n1 ZINC000158864507 425950203 /nfs/dbraw/zinc/95/02/03/425950203.db2.gz JIYUATSZZXQGET-ZETCQYMHSA-N -1 3 312.782 2.586 20 0 DFADHM Cc1ccc([O-])c(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)n1 ZINC000103501689 425950498 /nfs/dbraw/zinc/95/04/98/425950498.db2.gz XNIUVAPKPUEHJE-UHFFFAOYSA-N -1 3 313.382 2.939 20 0 DFADHM Cc1ccc(O)c(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000103501689 425950501 /nfs/dbraw/zinc/95/05/01/425950501.db2.gz XNIUVAPKPUEHJE-UHFFFAOYSA-N -1 3 313.382 2.939 20 0 DFADHM Cn1cnnc1[N-]C(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000159022409 425952514 /nfs/dbraw/zinc/95/25/14/425952514.db2.gz UBFJZSHZDRJPIX-HNNXBMFYSA-N -1 3 308.341 2.574 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1CCC(F)(F)CC1 ZINC000125117652 425954264 /nfs/dbraw/zinc/95/42/64/425954264.db2.gz 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CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000118366698 426234434 /nfs/dbraw/zinc/23/44/34/426234434.db2.gz LKTQETYROUFION-IUODEOHRSA-N -1 3 316.405 2.529 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000136189294 426237276 /nfs/dbraw/zinc/23/72/76/426237276.db2.gz ROMYLAATQAERIL-LSDHHAIUSA-N -1 3 309.793 2.758 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000137050904 426250715 /nfs/dbraw/zinc/25/07/15/426250715.db2.gz CTZUZRSSCSPEIX-ZDUSSCGKSA-N -1 3 319.401 2.895 20 0 DFADHM CC(C)c1nc(C(=O)[N-]c2nc3ccc(F)cn3n2)cs1 ZINC000085740778 426253103 /nfs/dbraw/zinc/25/31/03/426253103.db2.gz CKECKYMHHFIYNW-UHFFFAOYSA-N -1 3 305.338 2.701 20 0 DFADHM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000174494180 426258368 /nfs/dbraw/zinc/25/83/68/426258368.db2.gz MBXHIJHLUYEKOK-SECBINFHSA-N -1 3 305.305 2.737 20 0 DFADHM COc1ccc(C(=O)N[C@@H](C)COCc2ccccc2)c([O-])c1 ZINC000174588729 426260115 /nfs/dbraw/zinc/26/01/15/426260115.db2.gz 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C[C@H](CCO)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000123255400 426422368 /nfs/dbraw/zinc/42/23/68/426422368.db2.gz CWEGCRWOTOMBGA-CYBMUJFWSA-N -1 3 315.369 2.933 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cc(F)ccc2F)s1 ZINC000176904373 426423228 /nfs/dbraw/zinc/42/32/28/426423228.db2.gz QVMOOAKYNMNSGP-UHFFFAOYSA-N -1 3 318.370 2.517 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CCn2cccc2)c(Cl)cc1F ZINC000123305192 426426294 /nfs/dbraw/zinc/42/62/94/426426294.db2.gz XIWKRVOZEWISGQ-UHFFFAOYSA-N -1 3 316.785 2.568 20 0 DFADHM COc1ccc2ccccc2c1CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000340638330 268993650 /nfs/dbraw/zinc/99/36/50/268993650.db2.gz ADRZCZWTABDUCH-UHFFFAOYSA-N -1 3 323.352 2.582 20 0 DFADHM COC[C@@](C)(NCc1cc(Cl)c(OC)cc1Cl)C(=O)[O-] ZINC000340696138 269000140 /nfs/dbraw/zinc/00/01/40/269000140.db2.gz HPEPYWIJSCUBCU-CYBMUJFWSA-N -1 3 322.188 2.581 20 0 DFADHM COCc1cnc([N-]C(=O)c2occc2Br)s1 ZINC000340804817 269016410 /nfs/dbraw/zinc/01/64/10/269016410.db2.gz IIWQGQNAJITMFM-UHFFFAOYSA-N -1 3 317.164 2.897 20 0 DFADHM CCSCC[C@@H](C)N(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122967781 426406999 /nfs/dbraw/zinc/40/69/99/426406999.db2.gz MIZHPTZEDYRDLU-LLVKDONJSA-N -1 3 324.446 2.954 20 0 DFADHM Cc1nc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cs1 ZINC000340972655 269030965 /nfs/dbraw/zinc/03/09/65/269030965.db2.gz XENQCLVSIPETQB-VIFPVBQESA-N -1 3 313.382 2.784 20 0 DFADHM C[C@H](CCc1ccccc1)NC(=O)c1c[n-]c2ccncc2c1=O ZINC000340976520 269031341 /nfs/dbraw/zinc/03/13/41/269031341.db2.gz ICMNYOPFJUHVPF-CYBMUJFWSA-N -1 3 321.380 2.674 20 0 DFADHM COCc1nocc1C(=O)[N-]c1nc(-c2ccccn2)cs1 ZINC000341285771 269060895 /nfs/dbraw/zinc/06/08/95/269060895.db2.gz LPRXBSWXJOLXIT-UHFFFAOYSA-N -1 3 316.342 2.592 20 0 DFADHM COc1cc2c(cc1F)[n-]cc(C(=O)NCC1CCCC1)c2=O ZINC000341312015 269066683 /nfs/dbraw/zinc/06/66/83/269066683.db2.gz IYGRFNBOWBJXIP-UHFFFAOYSA-N -1 3 318.348 2.596 20 0 DFADHM CC(C)[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000341361265 269071845 /nfs/dbraw/zinc/07/18/45/269071845.db2.gz BLCNRMAAOOLXEU-QMMMGPOBSA-N -1 3 324.215 2.911 20 0 DFADHM Cc1nnc([C@H](NC(=O)c2cc(C)ccc2[O-])c2ccccc2)[nH]1 ZINC000155480607 426472112 /nfs/dbraw/zinc/47/21/12/426472112.db2.gz PICJALMZMKWSDN-MRXNPFEDSA-N -1 3 322.368 2.647 20 0 DFADHM O=C(NCCc1ncc[nH]1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177408234 426476851 /nfs/dbraw/zinc/47/68/51/426476851.db2.gz YVBSTLVCPARUDC-UHFFFAOYSA-N -1 3 323.352 2.880 20 0 DFADHM COc1ccc(OCCCNC(=O)c2ccccc2[O-])cc1 ZINC000098110199 426479082 /nfs/dbraw/zinc/47/90/82/426479082.db2.gz IBZKNRKTCVNENZ-UHFFFAOYSA-N -1 3 301.342 2.600 20 0 DFADHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2[O-])C1 ZINC000101630161 426485665 /nfs/dbraw/zinc/48/56/65/426485665.db2.gz TWXROCUVZDAEFP-KGLIPLIRSA-N -1 3 318.417 2.924 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2cnn(Cc3ccccn3)c2)c1 ZINC000195228380 426508651 /nfs/dbraw/zinc/50/86/51/426508651.db2.gz ITMHELTWZKRNBL-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)C(C2CCC2)C2CCC2)n[n-]1 ZINC000288134606 426510468 /nfs/dbraw/zinc/51/04/68/426510468.db2.gz KKSLRVFIPJZNQQ-UHFFFAOYSA-N -1 3 313.405 2.965 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)C(C2CCC2)C2CCC2)[n-]n1 ZINC000288134606 426510473 /nfs/dbraw/zinc/51/04/73/426510473.db2.gz KKSLRVFIPJZNQQ-UHFFFAOYSA-N -1 3 313.405 2.965 20 0 DFADHM CCCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C)ccc1[O-] ZINC000186403789 426521597 /nfs/dbraw/zinc/52/15/97/426521597.db2.gz FHRGXQZXVIDQBT-UHFFFAOYSA-N -1 3 307.390 2.895 20 0 DFADHM O=C([O-])C[C@H](NCc1ccc2c(c1)OCCO2)c1ccsc1 ZINC000272429568 426523468 /nfs/dbraw/zinc/52/34/68/426523468.db2.gz LEFJKCFBQAOOLL-ZDUSSCGKSA-N -1 3 319.382 2.825 20 0 DFADHM Cc1cc(C(=O)NCCCc2nc3ccccc3n2C)ccc1[O-] ZINC000272438347 426524893 /nfs/dbraw/zinc/52/48/93/426524893.db2.gz MFFGBBQHCWATBS-UHFFFAOYSA-N -1 3 323.396 2.950 20 0 DFADHM Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1[O-] ZINC000272435496 426525426 /nfs/dbraw/zinc/52/54/26/426525426.db2.gz LXULJPUHWOMGKO-OAHLLOKOSA-N -1 3 314.385 2.861 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CCCCc2c[nH]nn2)c1[O-] ZINC000186426177 426525654 /nfs/dbraw/zinc/52/56/54/426525654.db2.gz ZEYXWVMKGHDIHF-UHFFFAOYSA-N -1 3 308.769 2.824 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000272446507 426527540 /nfs/dbraw/zinc/52/75/40/426527540.db2.gz JEBCYHGANUOVIU-LLVKDONJSA-N -1 3 316.323 2.913 20 0 DFADHM CCc1nccn1[C@H]1CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000264293620 426530564 /nfs/dbraw/zinc/53/05/64/426530564.db2.gz PBULNGVRDSDRHY-AWEZNQCLSA-N -1 3 313.401 2.937 20 0 DFADHM Cc1ccc(OCCN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000177914886 426539419 /nfs/dbraw/zinc/53/94/19/426539419.db2.gz OKAIRZZPXDOXLY-CQSZACIVSA-N -1 3 301.390 2.871 20 0 DFADHM Cn1cc(CCNC(=O)c2cccc([O-])c2)c2ccc(F)cc21 ZINC000186579525 426555090 /nfs/dbraw/zinc/55/50/90/426555090.db2.gz ZPFQPLGFQIYCCV-UHFFFAOYSA-N -1 3 312.344 2.996 20 0 DFADHM COC(=O)CCCO[N-]C(=O)Nc1ccc2occ(C)c2c1 ZINC000288902264 426549752 /nfs/dbraw/zinc/54/97/52/426549752.db2.gz SHMPKSDCUZHUTF-UHFFFAOYSA-N -1 3 306.318 2.748 20 0 DFADHM O=C([O-])[C@@H]1CSCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000215221106 426550466 /nfs/dbraw/zinc/55/04/66/426550466.db2.gz JCLCHGDFOMPIHR-NSHDSACASA-N -1 3 305.321 2.707 20 0 DFADHM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000194773603 426492848 /nfs/dbraw/zinc/49/28/48/426492848.db2.gz AZMGCGDEYWYCTD-PWSUYJOCSA-N -1 3 315.373 2.613 20 0 DFADHM C[C@@H]1CN(C[C@@H]2CCCN2Cc2cc([O-])cc(F)c2)C[C@H](C)O1 ZINC000186197440 426493559 /nfs/dbraw/zinc/49/35/59/426493559.db2.gz WUCADMPTQJKYHA-VBQJREDUSA-N -1 3 322.424 2.605 20 0 DFADHM CC[C@@H]1CN(Cc2cc([O-])cc(F)c2)CCN1CC(F)F ZINC000186250656 426497982 /nfs/dbraw/zinc/49/79/82/426497982.db2.gz ASQJSIPFXJFJSE-CYBMUJFWSA-N -1 3 302.340 2.693 20 0 DFADHM COC1(C[N-]S(=O)(=O)c2ccc(F)cc2F)CCCCC1 ZINC000186279259 426499044 /nfs/dbraw/zinc/49/90/44/426499044.db2.gz KKEOIVFVNWEBCD-UHFFFAOYSA-N -1 3 319.373 2.592 20 0 DFADHM COC1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)CCCCC1 ZINC000186279317 426499134 /nfs/dbraw/zinc/49/91/34/426499134.db2.gz UMRDRAXUFRCLBB-UHFFFAOYSA-N -1 3 319.373 2.592 20 0 DFADHM CCCNC(=O)CCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186282442 426500350 /nfs/dbraw/zinc/50/03/50/426500350.db2.gz KCSWTTBFEKEBDO-CYBMUJFWSA-N -1 3 318.417 2.929 20 0 DFADHM C[C@H](CN1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000177638740 426500341 /nfs/dbraw/zinc/50/03/41/426500341.db2.gz UHOLDFYZUAXKOJ-MRXNPFEDSA-N -1 3 324.424 2.954 20 0 DFADHM CC[C@H](CNC(=O)c1ccc(O)cc1[O-])Oc1ccccc1F ZINC000177646433 426501240 /nfs/dbraw/zinc/50/12/40/426501240.db2.gz UBSIXSVUFFYYGO-GFCCVEGCSA-N -1 3 319.332 2.824 20 0 DFADHM CNC(=O)c1cccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000186294928 426501298 /nfs/dbraw/zinc/50/12/98/426501298.db2.gz KJIVAGVNHMMVEN-LBPRGKRZSA-N -1 3 324.380 2.906 20 0 DFADHM CCOC(=O)NCCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186308987 426502108 /nfs/dbraw/zinc/50/21/08/426502108.db2.gz BGQOPLKKUSEJMB-GFCCVEGCSA-N -1 3 320.389 2.759 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000186632948 426569890 /nfs/dbraw/zinc/56/98/90/426569890.db2.gz VMVKKGIZHKTAME-OUAUKWLOSA-N -1 3 303.449 2.860 20 0 DFADHM CCC[C@@](C)(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000280446280 426577722 /nfs/dbraw/zinc/57/77/22/426577722.db2.gz FWAWCJHWTNUDST-MRXNPFEDSA-N -1 3 301.394 2.699 20 0 DFADHM CCC[C@@](C)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000280446280 426577727 /nfs/dbraw/zinc/57/77/27/426577727.db2.gz FWAWCJHWTNUDST-MRXNPFEDSA-N -1 3 301.394 2.699 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2ccc(C(C)(C)O)cc2)c1 ZINC000186682890 426577786 /nfs/dbraw/zinc/57/77/86/426577786.db2.gz YOEZYEUKKAVQQA-UHFFFAOYSA-N -1 3 315.369 2.558 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c1F ZINC000273080660 426589456 /nfs/dbraw/zinc/58/94/56/426589456.db2.gz HDTDLPPPSSTHFX-GFCCVEGCSA-N -1 3 313.394 2.514 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000178327919 426607019 /nfs/dbraw/zinc/60/70/19/426607019.db2.gz UHHLBHIVMFWGMV-SECBINFHSA-N -1 3 320.286 2.744 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N(C)C[C@@H]3CCCCO3)c(=O)c2c1 ZINC000273176661 426608812 /nfs/dbraw/zinc/60/88/12/426608812.db2.gz FWYAJHACSGAYQG-ZDUSSCGKSA-N -1 3 314.385 2.890 20 0 DFADHM CC/C=C(\C)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178343357 426610882 /nfs/dbraw/zinc/61/08/82/426610882.db2.gz FNWXSMUXYMYDQG-AWNIVKPZSA-N -1 3 316.401 2.926 20 0 DFADHM C[C@@H]1C[C@H](CC(=O)N2CCc3c(nc[n-]c3=O)C2)CC(C)(C)C1 ZINC000273207876 426616148 /nfs/dbraw/zinc/61/61/48/426616148.db2.gz JKCHNZCVVRHSGN-CHWSQXEVSA-N -1 3 317.433 2.919 20 0 DFADHM CCCC(C)(C)[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000289268446 426617234 /nfs/dbraw/zinc/61/72/34/426617234.db2.gz CTTOEQIEEOFTHN-UHFFFAOYSA-N -1 3 317.407 2.540 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccs1)[C@@H](c1ccccc1)N(C)C ZINC000186583798 426556050 /nfs/dbraw/zinc/55/60/50/426556050.db2.gz HGHULROODZNAJP-WFASDCNBSA-N -1 3 324.471 2.718 20 0 DFADHM C[C@@H](CO)[C@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000186590286 426559915 /nfs/dbraw/zinc/55/99/15/426559915.db2.gz ZHSKRCIGCDDBGI-YUMQZZPRSA-N -1 3 313.810 2.538 20 0 DFADHM CSc1nnc(NC(=O)C[C@H]2CCCc3ccccc32)[n-]1 ZINC000264468715 426560156 /nfs/dbraw/zinc/56/01/56/426560156.db2.gz MRKCQGAZLKAWKI-LLVKDONJSA-N -1 3 302.403 2.975 20 0 DFADHM CSc1n[n-]c(NC(=O)C[C@H]2CCCc3ccccc32)n1 ZINC000264468715 426560159 /nfs/dbraw/zinc/56/01/59/426560159.db2.gz MRKCQGAZLKAWKI-LLVKDONJSA-N -1 3 302.403 2.975 20 0 DFADHM CSc1nc(NC(=O)C[C@H]2CCCc3ccccc32)n[n-]1 ZINC000264468715 426560163 /nfs/dbraw/zinc/56/01/63/426560163.db2.gz MRKCQGAZLKAWKI-LLVKDONJSA-N -1 3 302.403 2.975 20 0 DFADHM COc1ccccc1-n1nccc1C[N-]c1nc(C(C)C)no1 ZINC000280381988 426562121 /nfs/dbraw/zinc/56/21/21/426562121.db2.gz LXEVFIWIVARQOQ-UHFFFAOYSA-N -1 3 313.361 2.999 20 0 DFADHM O=C(NCCC[C@@H]1CCCCO1)NCc1ccc([O-])c(F)c1 ZINC000186604569 426563002 /nfs/dbraw/zinc/56/30/02/426563002.db2.gz LXNXSRNJIDZOTQ-ZDUSSCGKSA-N -1 3 310.369 2.680 20 0 DFADHM CCN(CC)c1ccc(CNC(=O)c2ccc([O-])c(C)c2)cn1 ZINC000272572944 426563734 /nfs/dbraw/zinc/56/37/34/426563734.db2.gz LJQXXSYXYKZWKQ-UHFFFAOYSA-N -1 3 313.401 2.872 20 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LJIUKHLVDVSTAX-CYBMUJFWSA-N -1 3 303.362 2.532 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCC[C@H]1CCO ZINC000273410502 426660631 /nfs/dbraw/zinc/66/06/31/426660631.db2.gz SRNOIYFWYOBUDJ-AWEZNQCLSA-N -1 3 303.402 2.648 20 0 DFADHM CSCCCCCC[N-]S(=O)(=O)c1cnc(C)s1 ZINC000273448652 426665422 /nfs/dbraw/zinc/66/54/22/426665422.db2.gz CLODGZSBAYMLNW-UHFFFAOYSA-N -1 3 308.494 2.653 20 0 DFADHM O=C(NCc1ccc[nH]1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187544104 426670049 /nfs/dbraw/zinc/67/00/49/426670049.db2.gz CLKOSYYKIBGMBK-UHFFFAOYSA-N -1 3 320.348 2.881 20 0 DFADHM CCOCCON=C([O-])Nc1ccc(C)c(-c2ncco2)c1 ZINC000187590161 426673990 /nfs/dbraw/zinc/67/39/90/426673990.db2.gz JMDGDRMSIKETDB-UHFFFAOYSA-N -1 3 305.334 2.740 20 0 DFADHM CCOCCO[N-]C(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC000187590161 426673993 /nfs/dbraw/zinc/67/39/93/426673993.db2.gz JMDGDRMSIKETDB-UHFFFAOYSA-N -1 3 305.334 2.740 20 0 DFADHM CCc1ccccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000187584559 426674089 /nfs/dbraw/zinc/67/40/89/426674089.db2.gz 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C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cccc([O-])c2)C1 ZINC000281926172 426795128 /nfs/dbraw/zinc/79/51/28/426795128.db2.gz HELWELHQHMDIRD-ZCPGHIKRSA-N -1 3 303.402 2.794 20 0 DFADHM O=C(NCCCc1c[nH]c2ccccc12)c1ccc(O)cc1[O-] ZINC000179486887 426795124 /nfs/dbraw/zinc/79/51/24/426795124.db2.gz QLFJBMHOVMGYNN-UHFFFAOYSA-N -1 3 310.353 2.942 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C2CC2)cc1)c1ccco1 ZINC000295204340 426860868 /nfs/dbraw/zinc/86/08/68/426860868.db2.gz LFNZSGMYVDQFLI-OAHLLOKOSA-N -1 3 321.398 2.823 20 0 DFADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(N2CCCCC2)nc1 ZINC000274947727 426861104 /nfs/dbraw/zinc/86/11/04/426861104.db2.gz URTXYCVHXOZOOT-OAHLLOKOSA-N -1 3 320.393 2.652 20 0 DFADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(N2CCCCC2)nc1 ZINC000274947727 426861109 /nfs/dbraw/zinc/86/11/09/426861109.db2.gz URTXYCVHXOZOOT-OAHLLOKOSA-N -1 3 320.393 2.652 20 0 DFADHM O=C(Cc1noc(/C=C/c2cncc([O-])c2)n1)Nc1ccccc1 ZINC000180453752 426861460 /nfs/dbraw/zinc/86/14/60/426861460.db2.gz 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O=C([N-]Cc1ccc(Cl)nc1)C(F)(F)C1(O)CCCCC1 ZINC000283048780 426939267 /nfs/dbraw/zinc/93/92/67/426939267.db2.gz OARMWENBGAZMGM-UHFFFAOYSA-N -1 3 318.751 2.682 20 0 DFADHM Cc1cc([C@@H]2CCCN(C(=O)c3ccc([O-])cc3F)C2)n[nH]1 ZINC000283709039 427061158 /nfs/dbraw/zinc/06/11/58/427061158.db2.gz ZDVPIDYMNHWKKF-LLVKDONJSA-N -1 3 303.337 2.583 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c(=O)[n-]1 ZINC000295559785 427007593 /nfs/dbraw/zinc/00/75/93/427007593.db2.gz JOXFAYZVZGEUMO-GJZGRUSLSA-N -1 3 317.433 2.769 20 0 DFADHM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000268404939 427008545 /nfs/dbraw/zinc/00/85/45/427008545.db2.gz HEVNJBJDPGNPNE-WCQYABFASA-N -1 3 311.428 2.539 20 0 DFADHM O=C1[C@H](NCc2cc([O-])cc(F)c2)CCCN1C1CCCCC1 ZINC000276212122 427009302 /nfs/dbraw/zinc/00/93/02/427009302.db2.gz PIFZTZWGYIYNOT-QGZVFWFLSA-N -1 3 320.408 2.945 20 0 DFADHM CC(C)(C)CCC1(O)CC(C(=O)[N-]OCc2cccnc2)C1 ZINC000295568356 427011224 /nfs/dbraw/zinc/01/12/24/427011224.db2.gz 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CC[C@@H]1OCCC[C@@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000277402731 427190912 /nfs/dbraw/zinc/19/09/12/427190912.db2.gz YPBGEDCPCUYJJX-QWRGUYRKSA-N -1 3 304.350 2.517 20 0 DFADHM CC[C@@H]1OCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000277402731 427190916 /nfs/dbraw/zinc/19/09/16/427190916.db2.gz YPBGEDCPCUYJJX-QWRGUYRKSA-N -1 3 304.350 2.517 20 0 DFADHM O=c1[n-]nc([C@@H]2CCCN([C@@H]3CCCc4ccc(F)cc43)C2)o1 ZINC000284387118 427192688 /nfs/dbraw/zinc/19/26/88/427192688.db2.gz VLSZDSBXZWWVLP-IUODEOHRSA-N -1 3 317.364 2.759 20 0 DFADHM Cc1nc([C@@H](C)NCCCNC(=O)c2cccc([O-])c2)cs1 ZINC000269436591 427195619 /nfs/dbraw/zinc/19/56/19/427195619.db2.gz RCPOWDIRUYUABU-LLVKDONJSA-N -1 3 319.430 2.628 20 0 DFADHM CCC[C@@H]1C[C@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)CCO1 ZINC000183081298 427195938 /nfs/dbraw/zinc/19/59/38/427195938.db2.gz GHJCJGKJKJVXML-GHMZBOCLSA-N -1 3 304.350 2.599 20 0 DFADHM CCC[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)CCO1 ZINC000183081298 427195941 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CC[C@H](C)n1nc([N-]S(=O)(=O)N2CCC(C)CC2)cc1C ZINC000340942083 427960639 /nfs/dbraw/zinc/96/06/39/427960639.db2.gz RPPUHNDLRKVUEJ-LBPRGKRZSA-N -1 3 314.455 2.551 20 0 DFADHM CCO[C@@H](C)c1ncc(C(=O)Nc2nc(C)ccc2[O-])s1 ZINC000345948006 427963056 /nfs/dbraw/zinc/96/30/56/427963056.db2.gz VWEIJIKBMQIJCW-VIFPVBQESA-N -1 3 307.375 2.902 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2cccc(Nc3cnn(C)c3)c2)n1 ZINC000345949577 427963074 /nfs/dbraw/zinc/96/30/74/427963074.db2.gz XRLBHAILHLWANE-UHFFFAOYSA-N -1 3 323.356 2.825 20 0 DFADHM COC(=O)[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]1C ZINC000355957869 427963696 /nfs/dbraw/zinc/96/36/96/427963696.db2.gz MGGAJJLFBIZXMO-SMDDNHRTSA-N -1 3 313.353 2.569 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CCCO[C@@H]2c2ccncc2)ccc1[O-] ZINC000337573448 427964921 /nfs/dbraw/zinc/96/49/21/427964921.db2.gz USOBTNYRHSWGRL-NVXWUHKLSA-N -1 3 312.369 2.746 20 0 DFADHM C[C@H](NC(=O)Cc1noc(-c2ccccc2[O-])n1)c1ccccc1 ZINC000350683236 427964915 /nfs/dbraw/zinc/96/49/15/427964915.db2.gz 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CC(C)(C)c1ccc(NC(=O)[C@@](C)(O)C2CCOCC2)c([O-])c1 ZINC000353043670 428367042 /nfs/dbraw/zinc/36/70/42/428367042.db2.gz CIRIZKDNTCPOGA-SFHVURJKSA-N -1 3 321.417 2.806 20 0 DFADHM CCCN(CC(=O)[O-])Cc1c(C)nn(CC(C)C)c1OCC ZINC000414673865 428369447 /nfs/dbraw/zinc/36/94/47/428369447.db2.gz DMCUKOHZKXQMRT-UHFFFAOYSA-N -1 3 311.426 2.543 20 0 DFADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC000371165202 428374142 /nfs/dbraw/zinc/37/41/42/428374142.db2.gz RSFZRDDMXVQECN-HNNXBMFYSA-N -1 3 316.401 2.902 20 0 DFADHM COC(=O)c1cc([N-]C(=O)c2cc(C)no2)cc(Cl)c1F ZINC000360627418 428374959 /nfs/dbraw/zinc/37/49/59/428374959.db2.gz ANLHXSNBACTHFF-UHFFFAOYSA-N -1 3 312.684 2.814 20 0 DFADHM Cn1cc(NC(=O)NCc2ncccc2[O-])c(-c2ccccc2)n1 ZINC000346935682 428378347 /nfs/dbraw/zinc/37/83/47/428378347.db2.gz IQBIIRZTWXJRIR-UHFFFAOYSA-N -1 3 323.356 2.509 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCO[C@H](C)C3)nc2)n1 ZINC000378369930 428381885 /nfs/dbraw/zinc/38/18/85/428381885.db2.gz 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Cc1cc(C(=O)N(C)CCOc2ccc(F)cc2)ccc1[O-] ZINC000353886517 428764033 /nfs/dbraw/zinc/76/40/33/428764033.db2.gz JPGHSLBQVJYWLK-UHFFFAOYSA-N -1 3 303.333 2.991 20 0 DFADHM Cc1ncc(CNC(=O)[C@@H](C)CSc2ccccc2)c(=O)[n-]1 ZINC000345129817 428766439 /nfs/dbraw/zinc/76/64/39/428766439.db2.gz QTYKSRWNQWGEAM-NSHDSACASA-N -1 3 317.414 2.535 20 0 DFADHM Cc1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)ccc1[O-] ZINC000353905599 428772406 /nfs/dbraw/zinc/77/24/06/428772406.db2.gz SLYNJSHFUZUYNE-UHFFFAOYSA-N -1 3 321.380 2.875 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000348559567 428789144 /nfs/dbraw/zinc/78/91/44/428789144.db2.gz FVIYAFOHPVDHMU-NVXWUHKLSA-N -1 3 312.369 2.610 20 0 DFADHM O=S(=O)([N-][C@@H](C1CC1)C1CCC1)c1ccc(F)cc1F ZINC000416510172 428744374 /nfs/dbraw/zinc/74/43/74/428744374.db2.gz HJMOWZJJLKCQLO-CQSZACIVSA-N -1 3 301.358 2.822 20 0 DFADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000416525603 428745461 /nfs/dbraw/zinc/74/54/61/428745461.db2.gz IHQCLHOCCKVZPM-AOOOYVTPSA-N -1 3 324.229 2.839 20 0 DFADHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)O1 ZINC000416534168 428748164 /nfs/dbraw/zinc/74/81/64/428748164.db2.gz KHCIONUNWOPWIK-RKDXNWHRSA-N -1 3 324.229 2.839 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCCc2cccnc2)o1 ZINC000416537087 428748708 /nfs/dbraw/zinc/74/87/08/428748708.db2.gz NPNOCDDYPVZNSV-LBPRGKRZSA-N -1 3 308.403 2.673 20 0 DFADHM CCOc1ccc(NC(=O)NCc2ncccc2[O-])cc1OC ZINC000348455278 428750329 /nfs/dbraw/zinc/75/03/29/428750329.db2.gz OMUDTTFYOVNMEM-UHFFFAOYSA-N -1 3 317.345 2.516 20 0 DFADHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccccc1F ZINC000416543699 428750820 /nfs/dbraw/zinc/75/08/20/428750820.db2.gz YLKMDSNOOHQQAY-ZDUSSCGKSA-N -1 3 322.405 2.910 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(F)c(F)c(F)c1 ZINC000416554238 428750942 /nfs/dbraw/zinc/75/09/42/428750942.db2.gz CZBJFTDRSCJVML-VFWDIBGWSA-N -1 3 305.321 2.571 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c[n-]1 ZINC000359074858 428804398 /nfs/dbraw/zinc/80/43/98/428804398.db2.gz GDDDOXCIFVZZMZ-GFCCVEGCSA-N -1 3 314.341 2.558 20 0 DFADHM O=C(NCCCNc1ccccc1)c1c[n-]nc1-c1ccccn1 ZINC000354002196 428812079 /nfs/dbraw/zinc/81/20/79/428812079.db2.gz MQXKWOLIKOZCOB-UHFFFAOYSA-N -1 3 321.384 2.704 20 0 DFADHM NC(=O)c1cc(NC(=O)c2cc3cc(Cl)sc3[n-]2)c[nH]1 ZINC000362929688 428813679 /nfs/dbraw/zinc/81/36/79/428813679.db2.gz GKYPZAWAVHDSTF-UHFFFAOYSA-N -1 3 308.750 2.562 20 0 DFADHM CCOCc1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000348763100 428828473 /nfs/dbraw/zinc/82/84/73/428828473.db2.gz JAANGLWYXSGMKU-UHFFFAOYSA-N -1 3 301.346 2.645 20 0 DFADHM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)N1CCCC1 ZINC000359121887 428828563 /nfs/dbraw/zinc/82/85/63/428828563.db2.gz NZJIEIAFDJPGOW-UHFFFAOYSA-N -1 3 318.826 2.881 20 0 DFADHM CCOC(=O)c1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000416990824 428836825 /nfs/dbraw/zinc/83/68/25/428836825.db2.gz FUDFQJQJFXNQOQ-UHFFFAOYSA-N -1 3 313.357 2.848 20 0 DFADHM CC[C@H](NC(=O)NCc1cnc(C)[n-]c1=O)c1ccc(C)cc1 ZINC000345319299 428843505 /nfs/dbraw/zinc/84/35/05/428843505.db2.gz NLVYQKSAKXHKGO-HNNXBMFYSA-N -1 3 314.389 2.750 20 0 DFADHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccccc2Cl)c2ccccc21 ZINC000354066252 428844750 /nfs/dbraw/zinc/84/47/50/428844750.db2.gz TYMCNKMBMMEURO-CYBMUJFWSA-N -1 3 321.785 2.946 20 0 DFADHM Cc1ccc(C(=O)Nc2cn(C)nc2-c2ccccn2)c([O-])c1 ZINC000363036143 428844916 /nfs/dbraw/zinc/84/49/16/428844916.db2.gz BYESKGTYMPBPAE-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]CCSCC(C)C)c1F ZINC000359192860 428860795 /nfs/dbraw/zinc/86/07/95/428860795.db2.gz HKJRIBXYJAWDDH-UHFFFAOYSA-N -1 3 305.440 2.802 20 0 DFADHM O=C(CCCOc1ccccc1Cl)Nc1ccncc1[O-] ZINC000345368810 428862465 /nfs/dbraw/zinc/86/24/65/428862465.db2.gz CGLDYVPGKSZDMD-UHFFFAOYSA-N -1 3 306.749 2.660 20 0 DFADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000354104471 428863753 /nfs/dbraw/zinc/86/37/53/428863753.db2.gz OZQGVYUDOXUKSU-SNVBAGLBSA-N -1 3 322.883 2.553 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCOc3ccccc32)s1 ZINC000359218948 428872466 /nfs/dbraw/zinc/87/24/66/428872466.db2.gz FGHOJPKOBVQWAR-NSHDSACASA-N -1 3 324.427 2.508 20 0 DFADHM CCCC1(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000348934572 428880487 /nfs/dbraw/zinc/88/04/87/428880487.db2.gz QRJYGZDCTSGEEA-UHFFFAOYSA-N -1 3 314.382 2.716 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2cc(C)oc2C)s1 ZINC000359244059 428887079 /nfs/dbraw/zinc/88/70/79/428887079.db2.gz PVTOLPOUVZKQBC-VIFPVBQESA-N -1 3 314.432 2.955 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)s1 ZINC000359264345 428894892 /nfs/dbraw/zinc/89/48/92/428894892.db2.gz RBADAQWVAJVVEL-ZDUSSCGKSA-N -1 3 322.455 2.541 20 0 DFADHM CCc1ccc([O-])c(C(=O)N(C)CC(=O)Nc2ccccc2)c1 ZINC000354167406 428896090 /nfs/dbraw/zinc/89/60/90/428896090.db2.gz QIAKRIDKXGXLEV-UHFFFAOYSA-N -1 3 312.369 2.665 20 0 DFADHM CCCS(=O)(=O)Cc1nc(=O)c2c(C(C)C)csc2[n-]1 ZINC000349085908 428915793 /nfs/dbraw/zinc/91/57/93/428915793.db2.gz SYOMLYWNGLQRLZ-UHFFFAOYSA-N -1 3 314.432 2.845 20 0 DFADHM CNc1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC000354214905 428920216 /nfs/dbraw/zinc/92/02/16/428920216.db2.gz AHEITLHIJNYGDL-UHFFFAOYSA-N -1 3 311.263 3.100 20 0 DFADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cncc(F)c1 ZINC000359343228 428929882 /nfs/dbraw/zinc/92/98/82/428929882.db2.gz XHSCAIZPLZCPGT-VIFPVBQESA-N -1 3 307.300 2.626 20 0 DFADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc([O-])ccc1C(F)(F)F ZINC000375657776 428935852 /nfs/dbraw/zinc/93/58/52/428935852.db2.gz YMRTUEYCKSKZGP-BIMULSAOSA-N -1 3 315.291 2.708 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccco1)c1ccccc1 ZINC000349191025 428937155 /nfs/dbraw/zinc/93/71/55/428937155.db2.gz MOBMZIRPMNODCH-QGZVFWFLSA-N -1 3 323.352 2.969 20 0 DFADHM Cc1cc(NCc2cc([O-])cc(F)c2)nn1CC(F)(F)F ZINC000419836503 428940234 /nfs/dbraw/zinc/94/02/34/428940234.db2.gz XVIUPHGOPCMECF-UHFFFAOYSA-N -1 3 303.259 3.211 20 0 DFADHM Cc1nnc([C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)s1 ZINC000354280586 428953460 /nfs/dbraw/zinc/95/34/60/428953460.db2.gz DOEHFFDQRXZIKM-SSDOTTSWSA-N -1 3 311.794 2.625 20 0 DFADHM CCC(C)(C)OCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000412127240 428961103 /nfs/dbraw/zinc/96/11/03/428961103.db2.gz FOHCLVABTNWESH-UHFFFAOYSA-N -1 3 324.331 2.894 20 0 DFADHM CCC(C)(C)OCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000412127240 428961106 /nfs/dbraw/zinc/96/11/06/428961106.db2.gz FOHCLVABTNWESH-UHFFFAOYSA-N -1 3 324.331 2.894 20 0 DFADHM CCC(C)(C)OCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000412127240 428961108 /nfs/dbraw/zinc/96/11/08/428961108.db2.gz FOHCLVABTNWESH-UHFFFAOYSA-N -1 3 324.331 2.894 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)cc1[O-] ZINC000412138411 428963703 /nfs/dbraw/zinc/96/37/03/428963703.db2.gz QOWGVZPZHIMJNA-UHFFFAOYSA-N -1 3 315.373 3.159 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@H](c2ccccc2)C1 ZINC000433301003 429021489 /nfs/dbraw/zinc/02/14/89/429021489.db2.gz FDDSRLYUGZSNOD-LBPRGKRZSA-N -1 3 310.332 2.727 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@H](c2ccccc2)C1 ZINC000433301003 429021490 /nfs/dbraw/zinc/02/14/90/429021490.db2.gz FDDSRLYUGZSNOD-LBPRGKRZSA-N -1 3 310.332 2.727 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@H](c2ccccc2)C1 ZINC000433301003 429021495 /nfs/dbraw/zinc/02/14/95/429021495.db2.gz FDDSRLYUGZSNOD-LBPRGKRZSA-N -1 3 310.332 2.727 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[O-] ZINC000412362127 429024248 /nfs/dbraw/zinc/02/42/48/429024248.db2.gz ULEMWQSKMDVLPM-DZGCQCFKSA-N -1 3 309.312 2.712 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@@H](CO)C2CCCCC2)cc1[O-] ZINC000412368173 429026791 /nfs/dbraw/zinc/02/67/91/429026791.db2.gz UXKJGDHGZIJEJO-HNNXBMFYSA-N -1 3 319.401 2.513 20 0 DFADHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C)o1 ZINC000451958751 429026883 /nfs/dbraw/zinc/02/68/83/429026883.db2.gz LSWCTSZVHFKSHE-UHFFFAOYSA-N -1 3 314.794 2.677 20 0 DFADHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000451965525 429027454 /nfs/dbraw/zinc/02/74/54/429027454.db2.gz KSOICVFKWGITHF-LLVKDONJSA-N -1 3 324.229 2.697 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCCc2ncccc2C)cc1[O-] ZINC000412379334 429028636 /nfs/dbraw/zinc/02/86/36/429028636.db2.gz GLWLMFXBIBMUAL-UHFFFAOYSA-N -1 3 312.369 2.661 20 0 DFADHM CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000375793289 428976628 /nfs/dbraw/zinc/97/66/28/428976628.db2.gz NGGPGBMUZGDUPG-KBPBESRZSA-N -1 3 308.809 2.744 20 0 DFADHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000451987541 429033640 /nfs/dbraw/zinc/03/36/40/429033640.db2.gz YORROXHZCUNYIZ-NSHDSACASA-N -1 3 324.229 2.697 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)CC(F)(F)F)[n-]2)o1 ZINC000412199164 428980268 /nfs/dbraw/zinc/98/02/68/428980268.db2.gz VTWQNSJBNQHSDZ-LURJTMIESA-N -1 3 302.256 2.900 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)CC(F)(F)F)n2)o1 ZINC000412199164 428980273 /nfs/dbraw/zinc/98/02/73/428980273.db2.gz VTWQNSJBNQHSDZ-LURJTMIESA-N -1 3 302.256 2.900 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)CC(F)(F)F)n[n-]2)o1 ZINC000412199164 428980276 /nfs/dbraw/zinc/98/02/76/428980276.db2.gz VTWQNSJBNQHSDZ-LURJTMIESA-N -1 3 302.256 2.900 20 0 DFADHM Cc1ccc([C@@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C2)cc1 ZINC000363744177 428983235 /nfs/dbraw/zinc/98/32/35/428983235.db2.gz DVBRSNDLXLJEEH-OAHLLOKOSA-N -1 3 306.369 2.896 20 0 DFADHM Cc1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1 ZINC000451820517 428986905 /nfs/dbraw/zinc/98/69/05/428986905.db2.gz DOBGOVFZSQLKNF-SNVBAGLBSA-N -1 3 307.337 2.848 20 0 DFADHM CSc1ccc(F)cc1CNC(=O)NCc1ncccc1[O-] ZINC000349470744 428993165 /nfs/dbraw/zinc/99/31/65/428993165.db2.gz ULNNIOCIVDLAPX-UHFFFAOYSA-N -1 3 321.377 2.648 20 0 DFADHM CC1(C)CC(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000349477297 428993913 /nfs/dbraw/zinc/99/39/13/428993913.db2.gz QZQUDRUACJFLNP-UHFFFAOYSA-N -1 3 314.382 2.572 20 0 DFADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000451997371 429034438 /nfs/dbraw/zinc/03/44/38/429034438.db2.gz SYOFPKJVKRSQGA-ISVAXAHUSA-N -1 3 321.801 2.571 20 0 DFADHM Fc1ccc(C2=CC[C@@H](N=c3ncnc4[nH][n-]cc3-4)CC2)cc1 ZINC000349576145 429007275 /nfs/dbraw/zinc/00/72/75/429007275.db2.gz QJSITFZHLCVSPC-CQSZACIVSA-N -1 3 309.348 2.914 20 0 DFADHM CCO[C@H]1C[C@@](N)(C(=O)Nc2cccc(Cl)c2[O-])C1(C)C ZINC000423753817 429008620 /nfs/dbraw/zinc/00/86/20/429008620.db2.gz HMHIJGADCMAUKK-XHDPSFHLSA-N -1 3 312.797 2.517 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)C[C@H]1C ZINC000349593934 429013013 /nfs/dbraw/zinc/01/30/13/429013013.db2.gz YRTPZCGFSMVREA-JMSVASOKSA-N -1 3 324.446 2.613 20 0 DFADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1ccc(F)cc1Cl ZINC000452012360 429039086 /nfs/dbraw/zinc/03/90/86/429039086.db2.gz FFYNHNMOIUARRG-SNVBAGLBSA-N -1 3 321.801 2.574 20 0 DFADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1cc(F)ccc1Cl ZINC000452025107 429041818 /nfs/dbraw/zinc/04/18/18/429041818.db2.gz ZMADXPOCYFSHRE-SNVBAGLBSA-N -1 3 321.801 2.574 20 0 DFADHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000452064337 429046532 /nfs/dbraw/zinc/04/65/32/429046532.db2.gz FJYXWOZYBMNEON-ZIAGYGMSSA-N -1 3 315.410 2.760 20 0 DFADHM Cc1ncc(CNc2cc(C(C)(C)C)nc(C(C)C)n2)c(=O)[n-]1 ZINC000433755885 429047289 /nfs/dbraw/zinc/04/72/89/429047289.db2.gz BVHSOBCBGFXFJI-UHFFFAOYSA-N -1 3 315.421 3.314 20 0 DFADHM COc1cc(C(=O)NC[C@H]2CCC[C@H]2C2CC2)cc(OC)c1[O-] ZINC000412478502 429050712 /nfs/dbraw/zinc/05/07/12/429050712.db2.gz QHYBDRGBANIKGU-OCCSQVGLSA-N -1 3 319.401 2.966 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]C2C[C@@H](C)C[C@H](C)C2)s1 ZINC000433843296 429055446 /nfs/dbraw/zinc/05/54/46/429055446.db2.gz SOZQOOTZJILIHI-IUCAKERBSA-N -1 3 302.465 2.863 20 0 DFADHM Cc1nc(CO[C@H]2CCN(C(=O)c3cccc([O-])c3)C2)cs1 ZINC000376091761 429057219 /nfs/dbraw/zinc/05/72/19/429057219.db2.gz DLANAGNELOSETH-HNNXBMFYSA-N -1 3 318.398 2.588 20 0 DFADHM Cc1cccc([C@@]2(F)CCN(C(=O)c3ccc4n[n-]nc4c3)C2)c1 ZINC000376170014 429070390 /nfs/dbraw/zinc/07/03/90/429070390.db2.gz AWXOJATWPVBBHG-GOSISDBHSA-N -1 3 324.359 2.977 20 0 DFADHM C[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)CC(F)(F)F ZINC000412648390 429077187 /nfs/dbraw/zinc/07/71/87/429077187.db2.gz FRXTUOHRBWQFLD-SECBINFHSA-N -1 3 312.291 2.846 20 0 DFADHM c1[n-][nH]c2ncnc(=N[C@@H]3C[C@H]3c3ccc4ccccc4c3)c1-2 ZINC000435574174 429148016 /nfs/dbraw/zinc/14/80/16/429148016.db2.gz MNWGPYJPSPPATP-GOEBONIOSA-N -1 3 301.353 2.848 20 0 DFADHM C[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000424565256 429155167 /nfs/dbraw/zinc/15/51/67/429155167.db2.gz QEOHUGSGFVLQBP-NWDGAFQWSA-N -1 3 310.419 2.823 20 0 DFADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000435633354 429155445 /nfs/dbraw/zinc/15/54/45/429155445.db2.gz XOBAWNLOSGHADV-ZYHUDNBSSA-N -1 3 308.428 2.887 20 0 DFADHM C[C@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)[C@H]1C(=O)[O-] ZINC000424267429 429116887 /nfs/dbraw/zinc/11/68/87/429116887.db2.gz KDSSSYAOSZBXKV-ZUZCIYMTSA-N -1 3 321.808 2.912 20 0 DFADHM C[C@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)[C@@H]1C(=O)[O-] ZINC000424272359 429118199 /nfs/dbraw/zinc/11/81/99/429118199.db2.gz QMTHEYAGNRLSPE-CABZTGNLSA-N -1 3 302.296 2.786 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](C)CCCCO)c([O-])c1 ZINC000452509059 429123225 /nfs/dbraw/zinc/12/32/25/429123225.db2.gz GLIBOYMEABKJAV-ZDUSSCGKSA-N -1 3 309.406 2.852 20 0 DFADHM CC(C)Cc1c[nH]c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000413064693 429130547 /nfs/dbraw/zinc/13/05/47/429130547.db2.gz BHIGUARJITYNOA-UHFFFAOYSA-N -1 3 310.361 2.646 20 0 DFADHM CC(C)Cc1c[nH]c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000413064693 429130548 /nfs/dbraw/zinc/13/05/48/429130548.db2.gz BHIGUARJITYNOA-UHFFFAOYSA-N -1 3 310.361 2.646 20 0 DFADHM CC(C)C[C@@H](CNCc1nccn1Cc1ccccc1)C(=O)[O-] ZINC000424408746 429135358 /nfs/dbraw/zinc/13/53/58/429135358.db2.gz FSKMDIRDOKTMDT-INIZCTEOSA-N -1 3 315.417 2.768 20 0 DFADHM C[C@@H]1[C@@H](C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000435400752 429139787 /nfs/dbraw/zinc/13/97/87/429139787.db2.gz HIPFFFGJRCKDEC-IUIKQTSFSA-N -1 3 319.368 2.855 20 0 DFADHM C[C@@H]1[C@@H](C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000435400752 429139792 /nfs/dbraw/zinc/13/97/92/429139792.db2.gz HIPFFFGJRCKDEC-IUIKQTSFSA-N -1 3 319.368 2.855 20 0 DFADHM COc1cccc(C)c1[N-]S(=O)(=O)CCc1ccccc1 ZINC000435720754 429160906 /nfs/dbraw/zinc/16/09/06/429160906.db2.gz DJHGCHIYNXHVKX-UHFFFAOYSA-N -1 3 305.399 2.988 20 0 DFADHM CCc1oc2ccccc2c1CNC[C@@H]1OCC[C@@H]1C(=O)[O-] ZINC000424611335 429164155 /nfs/dbraw/zinc/16/41/55/429164155.db2.gz FBRACRRUHPICOM-LRDDRELGSA-N -1 3 303.358 2.575 20 0 DFADHM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1nc[n-]n1 ZINC000435937385 429172881 /nfs/dbraw/zinc/17/28/81/429172881.db2.gz IQNCIQKRJAUIHX-UHFFFAOYSA-N -1 3 319.777 2.758 20 0 DFADHM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1csc(=O)[n-]1 ZINC000364183903 429173538 /nfs/dbraw/zinc/17/35/38/429173538.db2.gz AOAXPEPTHZSICD-VIFPVBQESA-N -1 3 310.762 2.756 20 0 DFADHM O=C(NC[C@@H]1SCCc2ccccc21)c1ccc2n[n-]nc2c1 ZINC000487918842 429173779 /nfs/dbraw/zinc/17/37/79/429173779.db2.gz VIIBRYRQFBWCPQ-INIZCTEOSA-N -1 3 324.409 2.718 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OCC[C@H]2CCCCO2)cc1[O-] ZINC000495063267 429175884 /nfs/dbraw/zinc/17/58/84/429175884.db2.gz BVUGGWGJCWWJEI-GFCCVEGCSA-N -1 3 323.345 2.687 20 0 DFADHM CCCn1c(=O)[n-]nc1S[C@@H](Cc1ccccc1F)C(C)=O ZINC000436141663 429183238 /nfs/dbraw/zinc/18/32/38/429183238.db2.gz XHQWIYDYXJZFRF-ZDUSSCGKSA-N -1 3 323.393 2.825 20 0 DFADHM CCSc1nnc([N-]C(=O)c2ncc(C)cc2OC)s1 ZINC000488569746 429186234 /nfs/dbraw/zinc/18/62/34/429186234.db2.gz UEEOSRNYBYIUQJ-UHFFFAOYSA-N -1 3 310.404 2.614 20 0 DFADHM CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc([O-])c2)CCC1 ZINC000495297592 429198375 /nfs/dbraw/zinc/19/83/75/429198375.db2.gz SSVVBDGJBRACPQ-UHFFFAOYSA-N -1 3 320.389 2.569 20 0 DFADHM CC[C@@H](C)n1nc(NC(=O)c2cc(OC)ccc2[O-])cc1C ZINC000436681763 429201833 /nfs/dbraw/zinc/20/18/33/429201833.db2.gz OIFSJZXOZIJRPG-SNVBAGLBSA-N -1 3 303.362 3.129 20 0 DFADHM CC[C@H](C)n1nc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1C ZINC000436692456 429202434 /nfs/dbraw/zinc/20/24/34/429202434.db2.gz YFSJRXLONNMGLP-NSHDSACASA-N -1 3 317.389 3.437 20 0 DFADHM CCC[C@@](C)(O)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442816929 429236329 /nfs/dbraw/zinc/23/63/29/429236329.db2.gz YSNMWLOFBMAPDI-GFCCVEGCSA-N -1 3 307.268 2.780 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cc[nH]c(=O)c1 ZINC000442825388 429237004 /nfs/dbraw/zinc/23/70/04/429237004.db2.gz VISUCTXMUAEDBW-UHFFFAOYSA-N -1 3 314.219 2.644 20 0 DFADHM COCCCCCS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000490415808 429289070 /nfs/dbraw/zinc/28/90/70/429289070.db2.gz AUQPIMOXVBBOGH-UHFFFAOYSA-N -1 3 322.430 2.976 20 0 DFADHM COCCCCCS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000490415808 429289075 /nfs/dbraw/zinc/28/90/75/429289075.db2.gz AUQPIMOXVBBOGH-UHFFFAOYSA-N -1 3 322.430 2.976 20 0 DFADHM COc1nc(NC(=O)C[C@@H]2C[C@@H](C)c3c2cccc3C)n[n-]1 ZINC000489963559 429271804 /nfs/dbraw/zinc/27/18/04/429271804.db2.gz JZCGKTBNGGBXOQ-MNOVXSKESA-N -1 3 300.362 2.741 20 0 DFADHM COc1nnc(NC(=O)C[C@@H]2C[C@@H](C)c3c2cccc3C)[n-]1 ZINC000489963559 429271808 /nfs/dbraw/zinc/27/18/08/429271808.db2.gz JZCGKTBNGGBXOQ-MNOVXSKESA-N -1 3 300.362 2.741 20 0 DFADHM COc1n[n-]c(NC(=O)C[C@@H]2C[C@@H](C)c3c2cccc3C)n1 ZINC000489963559 429271810 /nfs/dbraw/zinc/27/18/10/429271810.db2.gz JZCGKTBNGGBXOQ-MNOVXSKESA-N -1 3 300.362 2.741 20 0 DFADHM CSCCON=C([O-])Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000365471887 429323559 /nfs/dbraw/zinc/32/35/59/429323559.db2.gz LWRNWYIVZATTBA-UHFFFAOYSA-N -1 3 324.381 2.642 20 0 DFADHM CSCCO[N-]C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000365471887 429323563 /nfs/dbraw/zinc/32/35/63/429323563.db2.gz LWRNWYIVZATTBA-UHFFFAOYSA-N -1 3 324.381 2.642 20 0 DFADHM CC[C@H](C)CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000502457946 429330591 /nfs/dbraw/zinc/33/05/91/429330591.db2.gz REZKSTQAQKWJEO-STQMWFEESA-N -1 3 321.483 2.708 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccncc3)[nH]c2=O)n1 ZINC000365532689 429337136 /nfs/dbraw/zinc/33/71/36/429337136.db2.gz CJAWDFHKEUEZSY-UHFFFAOYSA-N -1 3 322.324 2.511 20 0 DFADHM O=C(Nc1ccsc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000365552952 429340169 /nfs/dbraw/zinc/34/01/69/429340169.db2.gz PNFOWZGAWMINCI-ZDUSSCGKSA-N -1 3 316.382 2.697 20 0 DFADHM CC[C@@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])N(CC)CC ZINC000449141613 429342637 /nfs/dbraw/zinc/34/26/37/429342637.db2.gz FFOAPVMWLOXJBN-OLZOCXBDSA-N -1 3 300.443 2.503 20 0 DFADHM C[C@H]1C[C@H](NC(=O)c2ccc3c(c2[O-])CCCC3)c2nccn21 ZINC000456397785 429298671 /nfs/dbraw/zinc/29/86/71/429298671.db2.gz CDBWYUGXEVQYDG-NHYWBVRUSA-N -1 3 311.385 2.903 20 0 DFADHM COc1cccc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000490666195 429299349 /nfs/dbraw/zinc/29/93/49/429299349.db2.gz JOFYVPXEQXMGFN-HJWRWDBZSA-N -1 3 321.340 2.527 20 0 DFADHM COc1cccc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000490666195 429299353 /nfs/dbraw/zinc/29/93/53/429299353.db2.gz JOFYVPXEQXMGFN-HJWRWDBZSA-N -1 3 321.340 2.527 20 0 DFADHM FC(F)c1nnc([N-]Cc2cnc(C(F)(F)F)s2)o1 ZINC000446900481 429301780 /nfs/dbraw/zinc/30/17/80/429301780.db2.gz YQNXWVPJROTHLF-UHFFFAOYSA-N -1 3 300.212 3.095 20 0 DFADHM CCC[C@]1(CO)CCN(C(=O)c2ccc(SC)cc2[O-])C1 ZINC000365597100 429346780 /nfs/dbraw/zinc/34/67/80/429346780.db2.gz KDVWHTACUAOPBM-INIZCTEOSA-N -1 3 309.431 2.739 20 0 DFADHM CCc1ocnc1C(=O)[N-]c1cc(-c2cccc(F)c2)on1 ZINC000448539635 429313539 /nfs/dbraw/zinc/31/35/39/429313539.db2.gz VZKBEDJOLCATKY-UHFFFAOYSA-N -1 3 301.277 3.283 20 0 DFADHM Cc1ncc(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)s1 ZINC000448537503 429313854 /nfs/dbraw/zinc/31/38/54/429313854.db2.gz ITOJWDGNGWAJEY-UHFFFAOYSA-N -1 3 303.318 3.498 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)ccc1[O-] ZINC000365871372 429391702 /nfs/dbraw/zinc/39/17/02/429391702.db2.gz BAUNBMYXWFSJQD-INIZCTEOSA-N -1 3 313.401 2.937 20 0 DFADHM Cc1cnc([C@@H](C)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)o1 ZINC000517750261 429397942 /nfs/dbraw/zinc/39/79/42/429397942.db2.gz AIEHZYUGEVYMFT-BPLDGKMQSA-N -1 3 300.358 2.844 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@@H]2c2cn(C)nc2C)ccc1[O-] ZINC000365891000 429398209 /nfs/dbraw/zinc/39/82/09/429398209.db2.gz QCSMELRQGOJXME-MRXNPFEDSA-N -1 3 313.401 2.974 20 0 DFADHM CCc1cc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)ccc1[O-] ZINC000365895050 429398246 /nfs/dbraw/zinc/39/82/46/429398246.db2.gz LGOGRVQFLPLHQC-HNNXBMFYSA-N -1 3 313.401 2.838 20 0 DFADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517880207 429401683 /nfs/dbraw/zinc/40/16/83/429401683.db2.gz WJPLFOLKXALCES-ABAIWWIYSA-N -1 3 314.385 2.659 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2ccc([C@@H]3C[C@@H]3C)o2)[n-]1 ZINC000491366732 429353578 /nfs/dbraw/zinc/35/35/78/429353578.db2.gz MOOSEEXPBWXPFH-WUQHTFKHSA-N -1 3 304.375 2.895 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000491366732 429353583 /nfs/dbraw/zinc/35/35/83/429353583.db2.gz MOOSEEXPBWXPFH-WUQHTFKHSA-N -1 3 304.375 2.895 20 0 DFADHM CSc1nc(NC(=O)C=Cc2ccc([C@@H]3C[C@@H]3C)o2)n[n-]1 ZINC000491366732 429353590 /nfs/dbraw/zinc/35/35/90/429353590.db2.gz MOOSEEXPBWXPFH-WUQHTFKHSA-N -1 3 304.375 2.895 20 0 DFADHM COc1ccc(CN[C@@H](CCSC)C(=O)[O-])c(Cl)c1 ZINC000426716432 429409933 /nfs/dbraw/zinc/40/99/33/429409933.db2.gz VYPASCRNWKJNAU-LBPRGKRZSA-N -1 3 303.811 2.645 20 0 DFADHM CCc1cc(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)ccc1[O-] ZINC000365998590 429409961 /nfs/dbraw/zinc/40/99/61/429409961.db2.gz ZRHZJLCSRFJTPX-CZUORRHYSA-N -1 3 302.418 2.653 20 0 DFADHM COc1cccnc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000456901041 429361812 /nfs/dbraw/zinc/36/18/12/429361812.db2.gz HRIOQQUUPLMLIT-UHFFFAOYSA-N -1 3 318.348 2.574 20 0 DFADHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000513791670 429362603 /nfs/dbraw/zinc/36/26/03/429362603.db2.gz SEMUQOQSROGOLJ-KGLIPLIRSA-N -1 3 313.467 2.957 20 0 DFADHM COc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000491505587 429367960 /nfs/dbraw/zinc/36/79/60/429367960.db2.gz LFGVSEJNTVQEEC-WCIBSUBMSA-N -1 3 321.340 2.527 20 0 DFADHM COc1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000491505587 429367963 /nfs/dbraw/zinc/36/79/63/429367963.db2.gz LFGVSEJNTVQEEC-WCIBSUBMSA-N -1 3 321.340 2.527 20 0 DFADHM COC[C@@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000456969527 429370033 /nfs/dbraw/zinc/37/00/33/429370033.db2.gz RGXUUAFLBGJCQF-AWEZNQCLSA-N -1 3 309.381 2.882 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OCCC(F)(F)F)cc1[O-] ZINC000491799469 429410403 /nfs/dbraw/zinc/41/04/03/429410403.db2.gz ZDLXMIMUSPACPV-UHFFFAOYSA-N -1 3 307.224 2.680 20 0 DFADHM Cc1ccc([O-])c(C(=O)NC2(C(=O)Nc3ccccc3)CC2)c1 ZINC000426337891 429382801 /nfs/dbraw/zinc/38/28/01/429382801.db2.gz CCWLFVNXTFLESU-UHFFFAOYSA-N -1 3 310.353 2.602 20 0 DFADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccc(Br)o1 ZINC000426700424 429410761 /nfs/dbraw/zinc/41/07/61/429410761.db2.gz QUTRJQLIMAJVFP-GFCCVEGCSA-N -1 3 324.174 2.828 20 0 DFADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000427337492 429444322 /nfs/dbraw/zinc/44/43/22/429444322.db2.gz VFKZKKJUYFGSAX-SNVBAGLBSA-N -1 3 306.312 2.836 20 0 DFADHM Cc1c([N-]S(=O)(=O)CCOC(C)C)cccc1-c1ncco1 ZINC000427350813 429445141 /nfs/dbraw/zinc/44/51/41/429445141.db2.gz AJLKRFDLYOTFNW-UHFFFAOYSA-N -1 3 324.402 2.817 20 0 DFADHM COc1ccc2c(c1)CN(Cc1cc([O-])cc(F)c1)CCO2 ZINC000449528936 429446445 /nfs/dbraw/zinc/44/64/45/429446445.db2.gz TVCVZFQBPFNUCL-UHFFFAOYSA-N -1 3 303.333 2.935 20 0 DFADHM Cc1cccc(C(=O)N(Cc2cnn(C)c2)CC(C)C)c1[O-] ZINC000457353627 429449881 /nfs/dbraw/zinc/44/98/81/429449881.db2.gz MAZIQHSKZHMADQ-UHFFFAOYSA-N -1 3 301.390 2.733 20 0 DFADHM Cc1cc(/C=C\C(=O)[N-]OCCO)c(C)n1C1CCCCC1 ZINC000492027094 429453467 /nfs/dbraw/zinc/45/34/67/429453467.db2.gz ASQPYDWBYQZXLT-HJWRWDBZSA-N -1 3 306.406 2.663 20 0 DFADHM Cc1c(S(=O)(=O)[N-]c2c(C)c(C)ccc2Cl)cnn1C ZINC000427790734 429471059 /nfs/dbraw/zinc/47/10/59/429471059.db2.gz URIXBXQRSUVIAB-UHFFFAOYSA-N -1 3 313.810 2.800 20 0 DFADHM COc1cc(C)c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000519421827 429458772 /nfs/dbraw/zinc/45/87/72/429458772.db2.gz CMCBAZSCNOYYAF-UHFFFAOYSA-N -1 3 317.320 2.768 20 0 DFADHM C[C@H](O)CN(Cc1cc([O-])ccc1Br)CC(F)F ZINC000449632900 429464467 /nfs/dbraw/zinc/46/44/67/429464467.db2.gz 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CC(C)Oc1ccc(CCNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000527354478 429745529 /nfs/dbraw/zinc/74/55/29/429745529.db2.gz KQTLDCASPKYFTI-UHFFFAOYSA-N -1 3 324.384 2.718 20 0 DFADHM CC(C)Oc1ccc(CCNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000527354478 429745533 /nfs/dbraw/zinc/74/55/33/429745533.db2.gz KQTLDCASPKYFTI-UHFFFAOYSA-N -1 3 324.384 2.718 20 0 DFADHM CC(C)Oc1ccc(CCNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000527354478 429745538 /nfs/dbraw/zinc/74/55/38/429745538.db2.gz KQTLDCASPKYFTI-UHFFFAOYSA-N -1 3 324.384 2.718 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]Cc2nc(C)c(C)s2)c1 ZINC000451258279 429796776 /nfs/dbraw/zinc/79/67/76/429796776.db2.gz GDTCSIFIUHGHAH-UHFFFAOYSA-N -1 3 302.446 2.608 20 0 DFADHM Cc1ccccc1-c1nc(=NC2CCN(C3CC3)CC2)s[n-]1 ZINC000527837976 429808278 /nfs/dbraw/zinc/80/82/78/429808278.db2.gz PIHZEVGIWCICTA-UHFFFAOYSA-N -1 3 314.458 2.974 20 0 DFADHM CC(C)[C@@H](CO)O[N-]C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000493653940 429803945 /nfs/dbraw/zinc/80/39/45/429803945.db2.gz NTIGQKAKXPAEHG-KTRBRXNASA-N -1 3 317.307 2.783 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC000451285677 429805021 /nfs/dbraw/zinc/80/50/21/429805021.db2.gz LWFQLNPIHBJIDA-JSGCOSHPSA-N -1 3 317.476 2.786 20 0 DFADHM CC(C)(CO)O[N-]C(=O)/C=C\c1ccc(C(F)(F)F)cc1 ZINC000493663206 429805372 /nfs/dbraw/zinc/80/53/72/429805372.db2.gz ZPDQXRGVCOWZIF-YVMONPNESA-N -1 3 303.280 2.537 20 0 DFADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NCc1ccc(F)nc1 ZINC000368185540 429805568 /nfs/dbraw/zinc/80/55/68/429805568.db2.gz UOWIVTZDUNCSCP-UHFFFAOYSA-N -1 3 317.755 2.704 20 0 DFADHM Cc1nc(CN=c2nc(-c3ccccc3Cl)[n-]n2C)cs1 ZINC000368185551 429805811 /nfs/dbraw/zinc/80/58/11/429805811.db2.gz USNIGOVQYOGFDI-UHFFFAOYSA-N -1 3 319.821 2.934 20 0 DFADHM CCc1cc(C(=O)NCCOc2ccc(Cl)cn2)ccc1[O-] ZINC000486648701 429751294 /nfs/dbraw/zinc/75/12/94/429751294.db2.gz UMFMCIWVPNKNSI-UHFFFAOYSA-N -1 3 320.776 2.812 20 0 DFADHM CSc1ccccc1CN(C)C(=O)c1cccc2[n-]nnc21 ZINC000527479084 429753242 /nfs/dbraw/zinc/75/32/42/429753242.db2.gz SQYOBQLNTSLDDR-UHFFFAOYSA-N -1 3 312.398 2.952 20 0 DFADHM CSc1ccccc1CN(C)C(=O)c1cccc2nn[n-]c21 ZINC000527479084 429753245 /nfs/dbraw/zinc/75/32/45/429753245.db2.gz SQYOBQLNTSLDDR-UHFFFAOYSA-N -1 3 312.398 2.952 20 0 DFADHM CSc1ccccc1CN(C)C(=O)c1cccc2n[n-]nc21 ZINC000527479084 429753250 /nfs/dbraw/zinc/75/32/50/429753250.db2.gz SQYOBQLNTSLDDR-UHFFFAOYSA-N -1 3 312.398 2.952 20 0 DFADHM COCc1nocc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000486982792 429758506 /nfs/dbraw/zinc/75/85/06/429758506.db2.gz CLSITCVJCQJWRT-UHFFFAOYSA-N -1 3 316.235 2.798 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000368197997 429807276 /nfs/dbraw/zinc/80/72/76/429807276.db2.gz BLLSEZPWIAKQPS-LSDHHAIUSA-N -1 3 315.413 2.770 20 0 DFADHM Cc1nc2ccc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)cc2s1 ZINC000451070057 429762639 /nfs/dbraw/zinc/76/26/39/429762639.db2.gz NOCOEDOUYVHHLA-SSDOTTSWSA-N -1 3 320.386 2.927 20 0 DFADHM C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1cccc([O-])c1 ZINC000368005559 429765252 /nfs/dbraw/zinc/76/52/52/429765252.db2.gz KBUIPDDVSHKIBF-LBPRGKRZSA-N -1 3 323.352 2.803 20 0 DFADHM C[C@@H]1CCN(C(=O)c2noc3c2COCC3)c2c([O-])cccc21 ZINC000527607913 429765421 /nfs/dbraw/zinc/76/54/21/429765421.db2.gz LYXAQNJCOOHTHM-SNVBAGLBSA-N -1 3 314.341 2.607 20 0 DFADHM CCCCN(C)S(=O)(=O)[N-]c1cnn(CCC)c1C1CC1 ZINC000451090051 429766447 /nfs/dbraw/zinc/76/64/47/429766447.db2.gz FXTGFTSGLODKAY-UHFFFAOYSA-N -1 3 314.455 2.559 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2)C(F)F ZINC000451089752 429766769 /nfs/dbraw/zinc/76/67/69/429766769.db2.gz YOWJFZAJJWXMNH-LBPRGKRZSA-N -1 3 317.357 2.528 20 0 DFADHM O=C(C=Cc1ccc[nH]1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000493471219 429769317 /nfs/dbraw/zinc/76/93/17/429769317.db2.gz YFZCHDQZRLPEEH-SREVYHEPSA-N -1 3 315.283 2.730 20 0 DFADHM O=C(C=Cc1ccc[nH]1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000493471219 429769320 /nfs/dbraw/zinc/76/93/20/429769320.db2.gz YFZCHDQZRLPEEH-SREVYHEPSA-N -1 3 315.283 2.730 20 0 DFADHM O=C(C=Cc1ccc[nH]1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000493471219 429769322 /nfs/dbraw/zinc/76/93/22/429769322.db2.gz YFZCHDQZRLPEEH-SREVYHEPSA-N -1 3 315.283 2.730 20 0 DFADHM O=C(/C=C/c1cnn(-c2ccccc2)c1)[N-]OC/C=C/Cl ZINC000493476760 429770133 /nfs/dbraw/zinc/77/01/33/429770133.db2.gz DQXXXLGCTJPYLW-UQZXCRFKSA-N -1 3 303.749 2.686 20 0 DFADHM Cc1cc(C)c(S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F)s1 ZINC000431607959 429772194 /nfs/dbraw/zinc/77/21/94/429772194.db2.gz XIYKQQMYBVCFPQ-SSDOTTSWSA-N -1 3 301.355 2.842 20 0 DFADHM CN(Cc1cccc(F)c1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000431622349 429772920 /nfs/dbraw/zinc/77/29/20/429772920.db2.gz OYFWSCNOYOGXEO-UHFFFAOYSA-N -1 3 302.284 2.508 20 0 DFADHM CN(Cc1cccc(F)c1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000431622349 429772925 /nfs/dbraw/zinc/77/29/25/429772925.db2.gz OYFWSCNOYOGXEO-UHFFFAOYSA-N -1 3 302.284 2.508 20 0 DFADHM CN(Cc1cccc(F)c1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000431622349 429772929 /nfs/dbraw/zinc/77/29/29/429772929.db2.gz OYFWSCNOYOGXEO-UHFFFAOYSA-N -1 3 302.284 2.508 20 0 DFADHM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000368064728 429777898 /nfs/dbraw/zinc/77/78/98/429777898.db2.gz NUGFTDRVQVSYEV-QWHCGFSZSA-N -1 3 318.398 2.825 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCSC[C@H](C)C3)ccc2[n-]1 ZINC000451171488 429778799 /nfs/dbraw/zinc/77/87/99/429778799.db2.gz SRARYEFKTLAKMU-LLVKDONJSA-N -1 3 319.430 2.787 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCSC[C@H](C)C3)cc2[n-]1 ZINC000451171488 429778804 /nfs/dbraw/zinc/77/88/04/429778804.db2.gz SRARYEFKTLAKMU-LLVKDONJSA-N -1 3 319.430 2.787 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2csc(C)n2)c1 ZINC000451175402 429781371 /nfs/dbraw/zinc/78/13/71/429781371.db2.gz JVEGFXYSIPBEBG-MRVPVSSYSA-N -1 3 302.446 2.861 20 0 DFADHM CCOc1ncccc1CNC(=O)c1cc([O-])ccc1Cl ZINC000431899088 429790328 /nfs/dbraw/zinc/79/03/28/429790328.db2.gz PGCVUPKNWLYCDA-UHFFFAOYSA-N -1 3 306.749 2.769 20 0 DFADHM C[C@H]([N-]c1nnc(C(F)F)o1)c1cnn(Cc2ccccc2)c1 ZINC000432322905 429815160 /nfs/dbraw/zinc/81/51/60/429815160.db2.gz NWBMNAPSWBIPFR-JTQLQIEISA-N -1 3 319.315 3.425 20 0 DFADHM CCC(CC)n1ccc(C(=O)[N-]c2nnc(C(F)F)s2)n1 ZINC000432440300 429825536 /nfs/dbraw/zinc/82/55/36/429825536.db2.gz GFJVPIKCBCQURI-UHFFFAOYSA-N -1 3 315.349 3.286 20 0 DFADHM C[C@H](O[N-]C(=O)/C=C\COCC(F)(F)F)c1ccccc1 ZINC000493788656 429830291 /nfs/dbraw/zinc/83/02/91/429830291.db2.gz LESABNIAYJSGHQ-OFSNVTPPSA-N -1 3 303.280 2.931 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCCO[C@H](CC)C3)ccc2[n-]1 ZINC000451431434 429830337 /nfs/dbraw/zinc/83/03/37/429830337.db2.gz AUFBBCKYJSLCFT-CYBMUJFWSA-N -1 3 317.389 2.603 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCCO[C@H](CC)C3)cc2[n-]1 ZINC000451431434 429830340 /nfs/dbraw/zinc/83/03/40/429830340.db2.gz AUFBBCKYJSLCFT-CYBMUJFWSA-N -1 3 317.389 2.603 20 0 DFADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000432653543 429832887 /nfs/dbraw/zinc/83/28/87/429832887.db2.gz FMQQDWQZSBVXFS-AWEZNQCLSA-N -1 3 310.353 2.774 20 0 DFADHM COC(=O)c1cnc(SCc2ncccc2C(F)(F)F)[n-]1 ZINC000432663570 429834786 /nfs/dbraw/zinc/83/47/86/429834786.db2.gz 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/nfs/dbraw/zinc/84/27/58/429842758.db2.gz KFQFQMJZHFANJC-UHFFFAOYSA-N -1 3 315.358 2.685 20 0 DFADHM COCc1nc(Sc2nccc(Oc3ccccc3)n2)n[n-]1 ZINC000432828683 429842760 /nfs/dbraw/zinc/84/27/60/429842760.db2.gz KFQFQMJZHFANJC-UHFFFAOYSA-N -1 3 315.358 2.685 20 0 DFADHM Cc1nc(CO[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)cs1 ZINC000368407469 429843846 /nfs/dbraw/zinc/84/38/46/429843846.db2.gz PEBRLVFNRMAIBO-CYBMUJFWSA-N -1 3 318.398 2.588 20 0 DFADHM O=C(CC1(c2ccccc2)CC1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000528141987 429854549 /nfs/dbraw/zinc/85/45/49/429854549.db2.gz WWMANQUBKJOUNV-UHFFFAOYSA-N -1 3 310.279 2.884 20 0 DFADHM O=C(CC1(c2ccccc2)CC1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000528141987 429854551 /nfs/dbraw/zinc/85/45/51/429854551.db2.gz WWMANQUBKJOUNV-UHFFFAOYSA-N -1 3 310.279 2.884 20 0 DFADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(F)c2)[C@@H]2CCC[C@H]2O1 ZINC000368521003 429860167 /nfs/dbraw/zinc/86/01/67/429860167.db2.gz ANWIOMDWMQKZAH-UKRRQHHQSA-N -1 3 322.380 2.773 20 0 DFADHM CO[C@H](C[N-]S(=O)(=O)c1ccc2ccccc2c1F)C1CC1 ZINC000451605006 429860668 /nfs/dbraw/zinc/86/06/68/429860668.db2.gz MEOSDCUVERCUQM-CQSZACIVSA-N -1 3 323.389 2.682 20 0 DFADHM COCC1(CNC(=O)/C=C\c2cncc([O-])c2)CCCCC1 ZINC000493701305 429812417 /nfs/dbraw/zinc/81/24/17/429812417.db2.gz ZTCGEOJUUFFBST-WAYWQWQTSA-N -1 3 304.390 2.514 20 0 DFADHM Cc1nc(CNC(=O)c2cc([O-])ccc2Cl)c2n1CCCC2 ZINC000368235296 429815048 /nfs/dbraw/zinc/81/50/48/429815048.db2.gz HMRFFJJFROTQDE-UHFFFAOYSA-N -1 3 319.792 2.817 20 0 DFADHM O=S(=O)([N-][C@H]1CCCC[C@H]1CC(F)(F)F)c1ccccn1 ZINC000451723039 429878687 /nfs/dbraw/zinc/87/86/87/429878687.db2.gz WQANBROBSPJJPB-QWRGUYRKSA-N -1 3 322.352 2.871 20 0 DFADHM Cc1nc(C)c(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)s1 ZINC000368735045 429890627 /nfs/dbraw/zinc/89/06/27/429890627.db2.gz ZAWDONIWMOQEFQ-UHFFFAOYSA-N -1 3 320.403 2.562 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1CC(c2ccccc2)C1 ZINC000368790732 429894298 /nfs/dbraw/zinc/89/42/98/429894298.db2.gz NYPMXFDDWKSIHN-UHFFFAOYSA-N -1 3 310.279 2.956 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1CC(c2ccccc2)C1 ZINC000368790732 429894300 /nfs/dbraw/zinc/89/43/00/429894300.db2.gz NYPMXFDDWKSIHN-UHFFFAOYSA-N -1 3 310.279 2.956 20 0 DFADHM O=S(=O)([N-]Cc1ccccc1-c1ccncc1)c1ccco1 ZINC000368919035 429901615 /nfs/dbraw/zinc/90/16/15/429901615.db2.gz AUHQVWKSNQXDFA-UHFFFAOYSA-N -1 3 314.366 2.820 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)c1 ZINC000528663152 429905333 /nfs/dbraw/zinc/90/53/33/429905333.db2.gz RLBJBGJWKIYAMX-VCTAVGKDSA-N -1 3 322.430 2.597 20 0 DFADHM COc1ccc([C@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)c(OC)c1 ZINC000528670584 429905949 /nfs/dbraw/zinc/90/59/49/429905949.db2.gz SSVKBNBZJBRDFQ-RYUDHWBXSA-N -1 3 317.389 2.920 20 0 DFADHM CSCCON=C([O-])N1CC2(CCOCC2)c2ccccc21 ZINC000369139313 429915188 /nfs/dbraw/zinc/91/51/88/429915188.db2.gz IOJDJDMTBOCNBK-UHFFFAOYSA-N -1 3 322.430 2.559 20 0 DFADHM CSCCO[N-]C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000369139313 429915190 /nfs/dbraw/zinc/91/51/90/429915190.db2.gz IOJDJDMTBOCNBK-UHFFFAOYSA-N -1 3 322.430 2.559 20 0 DFADHM Cc1cccc(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000369241083 429921075 /nfs/dbraw/zinc/92/10/75/429921075.db2.gz WZIDUBPFQPHFCN-SFHVURJKSA-N -1 3 315.344 2.573 20 0 DFADHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)OC ZINC000451676532 429870554 /nfs/dbraw/zinc/87/05/54/429870554.db2.gz SMJMUASJYONOLO-CABZTGNLSA-N -1 3 323.817 2.819 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)C(C)(F)F ZINC000451689196 429871824 /nfs/dbraw/zinc/87/18/24/429871824.db2.gz LIWRGGHPQFHXQW-ZETCQYMHSA-N -1 3 306.309 2.629 20 0 DFADHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000451698442 429872660 /nfs/dbraw/zinc/87/26/60/429872660.db2.gz SJIMZTVVBFVVPH-LLVKDONJSA-N -1 3 324.229 2.839 20 0 DFADHM CC(C)CO[C@@H]1CCN(CCOc2cccc(C(=O)[O-])c2)C1 ZINC000573499808 429959283 /nfs/dbraw/zinc/95/92/83/429959283.db2.gz NFJGXPLQAQSTNQ-MRXNPFEDSA-N -1 3 307.390 2.511 20 0 DFADHM 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ZINC000561292354 430085495 /nfs/dbraw/zinc/08/54/95/430085495.db2.gz NQUFQQNMSCGZLD-UHFFFAOYSA-N -1 3 313.353 2.671 20 0 DFADHM CCc1cccc(C(=O)N2CC(N(C)Cc3ccccc3)C2)c1[O-] ZINC000561283020 430086977 /nfs/dbraw/zinc/08/69/77/430086977.db2.gz MUTQZUPMKKFKNU-UHFFFAOYSA-N -1 3 324.424 2.911 20 0 DFADHM CCc1cccc(C(=O)N2CCc3nc(C4CC4)ncc3C2)c1[O-] ZINC000529927673 430087103 /nfs/dbraw/zinc/08/71/03/430087103.db2.gz SJRJLVWYROWBFN-UHFFFAOYSA-N -1 3 323.396 2.821 20 0 DFADHM CCc1cc(CNCc2cccc([O-])c2Br)on1 ZINC000562679665 430166095 /nfs/dbraw/zinc/16/60/95/430166095.db2.gz BCEZWSDBEHGIDG-UHFFFAOYSA-N -1 3 311.179 2.995 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000562711253 430170560 /nfs/dbraw/zinc/17/05/60/430170560.db2.gz XGGZRPUFLJEILO-CYZMBNFOSA-N -1 3 315.460 2.538 20 0 DFADHM CCc1cccc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c1[O-] ZINC000581034065 430173052 /nfs/dbraw/zinc/17/30/52/430173052.db2.gz WSWJLWPDUXVJJF-SJLPKXTDSA-N -1 3 301.386 2.738 20 0 DFADHM CC[C@@](C)(CC(=O)[O-])C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000634822209 430123351 /nfs/dbraw/zinc/12/33/51/430123351.db2.gz PZJMUUPHHUNZLH-KDOFPFPSSA-N -1 3 320.433 2.514 20 0 DFADHM c1oc(-c2ccccc2)nc1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000539692971 430178329 /nfs/dbraw/zinc/17/83/29/430178329.db2.gz QKDLARQLXCVKEA-CYBMUJFWSA-N -1 3 312.329 3.188 20 0 DFADHM CC(=O)c1ccc(C(=O)[N-]c2cc(OCC(C)C)ncn2)o1 ZINC000637764383 430127628 /nfs/dbraw/zinc/12/76/28/430127628.db2.gz UMBUPTIFSPFPMU-UHFFFAOYSA-N -1 3 303.318 2.559 20 0 DFADHM O=C([N-]c1c2c(ccc1F)OCO2)c1noc2c1CCCC2 ZINC000637769168 430127826 /nfs/dbraw/zinc/12/78/26/430127826.db2.gz MKVZPKKBUZMEOF-UHFFFAOYSA-N -1 3 304.277 2.674 20 0 DFADHM Cn1ccnc1[C@@H]([N-]c1nnc(C(F)F)s1)c1ccccc1 ZINC000579995095 430129245 /nfs/dbraw/zinc/12/92/45/430129245.db2.gz XXFBVDZTZZQSHZ-JTQLQIEISA-N -1 3 321.356 3.411 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(C3CC3)cc2)cn1C ZINC000580539244 430133232 /nfs/dbraw/zinc/13/32/32/430133232.db2.gz ZXHUBBYEKAHRAV-NSHDSACASA-N -1 3 319.430 2.645 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc2nn[n-]c21 ZINC000562445617 430133246 /nfs/dbraw/zinc/13/32/46/430133246.db2.gz RQHULKFZNXKPGH-GXTWGEPZSA-N -1 3 312.760 2.897 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc2[n-]nnc21 ZINC000562445617 430133249 /nfs/dbraw/zinc/13/32/49/430133249.db2.gz RQHULKFZNXKPGH-GXTWGEPZSA-N -1 3 312.760 2.897 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc2n[n-]nc21 ZINC000562445617 430133252 /nfs/dbraw/zinc/13/32/52/430133252.db2.gz RQHULKFZNXKPGH-GXTWGEPZSA-N -1 3 312.760 2.897 20 0 DFADHM O=C([O-])CC1(CC(=O)NC[C@H]2CCN2C2CCCC2)CCCC1 ZINC000634849949 430133538 /nfs/dbraw/zinc/13/35/38/430133538.db2.gz NSRAKSNPBZAXMV-OAHLLOKOSA-N -1 3 322.449 2.545 20 0 DFADHM C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)c2c([O-])cccc21 ZINC000580568510 430135812 /nfs/dbraw/zinc/13/58/12/430135812.db2.gz IRMWNZKMCDEUDG-ZDUSSCGKSA-N -1 3 302.418 2.964 20 0 DFADHM CCn1ncc(C(=O)Nc2cccc(C(C)=O)c2[O-])c1C1CC1 ZINC000640318422 430139954 /nfs/dbraw/zinc/13/99/54/430139954.db2.gz LROAMXQHGYDPDK-UHFFFAOYSA-N -1 3 313.357 2.941 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000531372430 430140145 /nfs/dbraw/zinc/14/01/45/430140145.db2.gz NGPKBCVVZQWXEG-UHFFFAOYSA-N -1 3 316.376 2.702 20 0 DFADHM CCc1cc(N(C)Cc2ccc(OCC(=O)[O-])cc2)ccn1 ZINC000580649107 430143260 /nfs/dbraw/zinc/14/32/60/430143260.db2.gz OFZTYSXNSOVWTF-UHFFFAOYSA-N -1 3 300.358 2.744 20 0 DFADHM CC(C)(C)[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(F)(F)F ZINC000563385077 430186052 /nfs/dbraw/zinc/18/60/52/430186052.db2.gz JXMBORODSAYXTI-GFCCVEGCSA-N -1 3 317.311 2.766 20 0 DFADHM CCCc1occc1C(=O)Nc1nc(C)[n-]c1C(=O)OCC ZINC000541255221 430186177 /nfs/dbraw/zinc/18/61/77/430186177.db2.gz HBDPOPUUUASRDS-UHFFFAOYSA-N -1 3 305.334 2.693 20 0 DFADHM CCCc1occc1C(=O)Nc1[n-]c(C)nc1C(=O)OCC ZINC000541255221 430186179 /nfs/dbraw/zinc/18/61/79/430186179.db2.gz HBDPOPUUUASRDS-UHFFFAOYSA-N -1 3 305.334 2.693 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCC2)c1 ZINC000122232720 277079513 /nfs/dbraw/zinc/07/95/13/277079513.db2.gz NCWJHJDCHVXKFK-OAHLLOKOSA-N -1 3 302.374 2.755 20 0 DFADHM O=C(NCCc1c[nH]c2cc(F)ccc12)c1cccc2nn[n-]c21 ZINC000541891598 430194503 /nfs/dbraw/zinc/19/45/03/430194503.db2.gz MBORPEYHTYCFFE-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(NCCc1c[nH]c2cc(F)ccc12)c1cccc2[n-]nnc21 ZINC000541891598 430194507 /nfs/dbraw/zinc/19/45/07/430194507.db2.gz MBORPEYHTYCFFE-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(NCCc1c[nH]c2cc(F)ccc12)c1cccc2n[n-]nc21 ZINC000541891598 430194511 /nfs/dbraw/zinc/19/45/11/430194511.db2.gz MBORPEYHTYCFFE-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1[O-] ZINC000331902425 277107362 /nfs/dbraw/zinc/10/73/62/277107362.db2.gz LWRZETVJHVNKPI-CQSZACIVSA-N -1 3 313.357 2.685 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2cn(C)nc2C(F)(F)F)c1 ZINC000541755187 430191357 /nfs/dbraw/zinc/19/13/57/430191357.db2.gz KAXRAKQVYILHNQ-UHFFFAOYSA-N -1 3 313.279 2.959 20 0 DFADHM CN1CC[C@@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])[C@H]2C1 ZINC000272546198 277144246 /nfs/dbraw/zinc/14/42/46/277144246.db2.gz CPWSGJWFXAXMRG-PBHICJAKSA-N -1 3 310.397 2.712 20 0 DFADHM CO[C@H](C)CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000542076816 430201151 /nfs/dbraw/zinc/20/11/51/430201151.db2.gz PSDPVSZUVWXALE-MRVPVSSYSA-N -1 3 302.168 2.908 20 0 DFADHM CON(C(=O)c1csc(=O)[n-]1)[C@H]1CCCOc2ccccc21 ZINC000376030646 277273080 /nfs/dbraw/zinc/27/30/80/277273080.db2.gz SMQIKFWVZFTMFB-LBPRGKRZSA-N -1 3 320.370 2.766 20 0 DFADHM O=C([O-])c1ccccc1OCCN1CCOC[C@H](C2CCC2)C1 ZINC000581435028 430208476 /nfs/dbraw/zinc/20/84/76/430208476.db2.gz XSGIIMDXYDGJBM-OAHLLOKOSA-N -1 3 319.401 2.512 20 0 DFADHM CC(C)n1ncnc1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000581538731 430217639 /nfs/dbraw/zinc/21/76/39/430217639.db2.gz YPLPMFGPTBPORT-UHFFFAOYSA-N -1 3 305.407 2.665 20 0 DFADHM Cc1ncc(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(=O)[n-]1 ZINC000543305891 430243410 /nfs/dbraw/zinc/24/34/10/430243410.db2.gz CWHCNSOXBBBWEU-VNHYZAJKSA-N -1 3 318.421 2.649 20 0 DFADHM CC(C)[C@@H](NCc1cc(C(=O)[O-])nn1C)c1ccc(F)cc1 ZINC000635303583 430248016 /nfs/dbraw/zinc/24/80/16/430248016.db2.gz LZFRAYGZUVFKGY-OAHLLOKOSA-N -1 3 305.353 2.744 20 0 DFADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cc(C(=O)[O-])nn1C ZINC000635302768 430248029 /nfs/dbraw/zinc/24/80/29/430248029.db2.gz OIGSNXNMLPIZRM-WCQYABFASA-N -1 3 317.364 2.635 20 0 DFADHM CCCN(CCc1cccs1)Cc1cc(C(=O)[O-])nn1C ZINC000635309319 430250566 /nfs/dbraw/zinc/25/05/66/430250566.db2.gz WEVIOLATRDDCBU-UHFFFAOYSA-N -1 3 307.419 2.635 20 0 DFADHM CN(Cc1cc(C(=O)[O-])nn1C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000635310952 430250836 /nfs/dbraw/zinc/25/08/36/430250836.db2.gz LPLSDNMPJXNEFF-RDJZCZTQSA-N -1 3 313.401 2.886 20 0 DFADHM O=C([O-])COCCNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635316505 430252482 /nfs/dbraw/zinc/25/24/82/430252482.db2.gz JYKJAYAKQKJXBZ-UHFFFAOYSA-N -1 3 311.687 2.550 20 0 DFADHM O=C([O-])CCCCNCc1ccc(F)cc1Br ZINC000635314281 430253078 /nfs/dbraw/zinc/25/30/78/430253078.db2.gz XDABTEVDCMMERG-UHFFFAOYSA-N -1 3 304.159 2.933 20 0 DFADHM CCOC[C@@H]1CCCN(CCOc2cccc(C(=O)[O-])c2)C1 ZINC000566358400 430254365 /nfs/dbraw/zinc/25/43/65/430254365.db2.gz HUGYCSLTDNHKAH-CQSZACIVSA-N -1 3 307.390 2.512 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)CCOCC2CC2)c2cccnc12 ZINC000582116580 430268520 /nfs/dbraw/zinc/26/85/20/430268520.db2.gz ANCNEEQWNJCLRH-UHFFFAOYSA-N -1 3 320.414 2.712 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000543954715 430268999 /nfs/dbraw/zinc/26/89/99/430268999.db2.gz KTFUQRHQFTUMGT-NSHDSACASA-N -1 3 314.316 2.523 20 0 DFADHM Cc1ncc(CNC(=O)Nc2cc(F)ccc2Cl)c(=O)[n-]1 ZINC000544247320 430276158 /nfs/dbraw/zinc/27/61/58/430276158.db2.gz CJCNLHYNPPTHFX-UHFFFAOYSA-N -1 3 310.716 2.605 20 0 DFADHM Cc1ncc(CNC(=O)C[C@@H]2CCCc3ccccc32)c(=O)[n-]1 ZINC000544263085 430277995 /nfs/dbraw/zinc/27/79/95/430277995.db2.gz ZLVBLEHFIYVMML-AWEZNQCLSA-N -1 3 311.385 2.617 20 0 DFADHM C[C@]1(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CCCCO1 ZINC000582227971 430280582 /nfs/dbraw/zinc/28/05/82/430280582.db2.gz YJQPCXGKHCCQER-OAHLLOKOSA-N -1 3 322.315 2.648 20 0 DFADHM C[C@]1(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CCCCO1 ZINC000582227971 430280586 /nfs/dbraw/zinc/28/05/86/430280586.db2.gz YJQPCXGKHCCQER-OAHLLOKOSA-N -1 3 322.315 2.648 20 0 DFADHM C[C@]1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCCCO1 ZINC000582227971 430280589 /nfs/dbraw/zinc/28/05/89/430280589.db2.gz YJQPCXGKHCCQER-OAHLLOKOSA-N -1 3 322.315 2.648 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000581648123 430229033 /nfs/dbraw/zinc/22/90/33/430229033.db2.gz CRNPPYFQKYAMNT-VUCTXSBTSA-N -1 3 319.376 2.538 20 0 DFADHM O=C([O-])[C@H]1c2ccccc2CCN1CCOCC1CCCC1 ZINC000581731958 430236004 /nfs/dbraw/zinc/23/60/04/430236004.db2.gz XOXQMGDRKDPDFS-QGZVFWFLSA-N -1 3 303.402 2.877 20 0 DFADHM Cc1ncc(CNC(=O)N[C@@H]2CCC[C@H]2CCC(C)C)c(=O)[n-]1 ZINC000543183469 430237683 /nfs/dbraw/zinc/23/76/83/430237683.db2.gz QUJULKPEPMEFMU-DZGCQCFKSA-N -1 3 320.437 2.895 20 0 DFADHM CC1(C)CN(S(=O)(=O)c2ccc([O-])cc2)[C@@H]1c1ccncc1 ZINC000581814408 430240620 /nfs/dbraw/zinc/24/06/20/430240620.db2.gz OEPZJRBYBYYFBO-OAHLLOKOSA-N -1 3 318.398 2.559 20 0 DFADHM Cc1cnc([C@@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)o1 ZINC000582300722 430286621 /nfs/dbraw/zinc/28/66/21/430286621.db2.gz AIEHZYUGEVYMFT-YUELXQCFSA-N -1 3 300.358 2.844 20 0 DFADHM C[C@@H]1CCN(Cc2cc(Cl)cc3c2OCC3)C[C@H]1C(=O)[O-] ZINC000582420095 430299373 /nfs/dbraw/zinc/29/93/73/430299373.db2.gz AHPWPKGKSBBUBT-QMTHXVAHSA-N -1 3 309.793 2.818 20 0 DFADHM O=C([O-])c1ccc(CN2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1F ZINC000582432389 430300855 /nfs/dbraw/zinc/30/08/55/430300855.db2.gz XEZJWVAPTOKWPG-HIFRSBDPSA-N -1 3 305.349 2.525 20 0 DFADHM C[C@H]1CCN(CCOc2ccc(F)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000567988471 430301307 /nfs/dbraw/zinc/30/13/07/430301307.db2.gz FUSRMUBJJHPBPA-JQWIXIFHSA-N -1 3 315.772 2.901 20 0 DFADHM Cc1nc(C)c(CC(=O)NCCC2=CCCCCC2)c(=O)[n-]1 ZINC000545242559 430309953 /nfs/dbraw/zinc/30/99/53/430309953.db2.gz LFXZSMGNVQZGSZ-UHFFFAOYSA-N -1 3 303.406 2.738 20 0 DFADHM O=C([O-])CC1(CN2CCC[C@H]2c2cccc3c2OCCO3)CC1 ZINC000568062964 430310175 /nfs/dbraw/zinc/31/01/75/430310175.db2.gz XIJMGLHKBBZOLD-AWEZNQCLSA-N -1 3 317.385 2.850 20 0 DFADHM CN(C[C@@H]1CCCO1)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000568062845 430311477 /nfs/dbraw/zinc/31/14/77/430311477.db2.gz RUOLYRLCRUXWQO-GXFFZTMASA-N -1 3 317.307 2.942 20 0 DFADHM Cc1ccsc1-c1cn(Cc2cc(=O)[n-]c(C3CC3)n2)nn1 ZINC000641048363 430313165 /nfs/dbraw/zinc/31/31/65/430313165.db2.gz HWMOOLIAOJNZID-UHFFFAOYSA-N -1 3 313.386 2.736 20 0 DFADHM O=C([O-])CCN(Cc1ccc2ccccc2n1)C[C@@H]1CCCO1 ZINC000568098508 430316512 /nfs/dbraw/zinc/31/65/12/430316512.db2.gz HRSKPTSFROIIAH-INIZCTEOSA-N -1 3 314.385 2.691 20 0 DFADHM [O-]c1ccc(Cl)c(Cn2cc(CN3CCCCC3)nn2)c1 ZINC000641072310 430320740 /nfs/dbraw/zinc/32/07/40/430320740.db2.gz ZHEPZQRCEOVIFJ-UHFFFAOYSA-N -1 3 306.797 2.671 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)n1 ZINC000582707401 430324227 /nfs/dbraw/zinc/32/42/27/430324227.db2.gz FPHGYEAAFAQUKM-YJNKXOJESA-N -1 3 305.422 2.567 20 0 DFADHM COc1cc(C(=O)NCC(C2CC2)C2CC2)cc(OC)c1[O-] ZINC000545857816 430330714 /nfs/dbraw/zinc/33/07/14/430330714.db2.gz SZZOCRHEATWEGV-UHFFFAOYSA-N -1 3 305.374 2.575 20 0 DFADHM Cc1nn(-c2ccccc2)cc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000568220902 430334882 /nfs/dbraw/zinc/33/48/82/430334882.db2.gz CRTVBWKXPAAQOC-HNNXBMFYSA-N -1 3 313.401 2.867 20 0 DFADHM CCN(Cc1nc(-c2ccco2)no1)C1CCC(C(=O)[O-])CC1 ZINC000582797512 430335752 /nfs/dbraw/zinc/33/57/52/430335752.db2.gz RMSVEMWAQLRIPQ-UHFFFAOYSA-N -1 3 319.361 2.795 20 0 DFADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)c1ccccc1OC(F)F ZINC000568232318 430336358 /nfs/dbraw/zinc/33/63/58/430336358.db2.gz LPPCEMYZARMOHB-SNVBAGLBSA-N -1 3 322.311 2.809 20 0 DFADHM COc1ccccc1[C@@H]1CCCN1C(=O)Cc1cncc([O-])c1 ZINC000568232153 430336471 /nfs/dbraw/zinc/33/64/71/430336471.db2.gz 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/nfs/dbraw/zinc/34/52/44/430345244.db2.gz MOYBGMIVYXYBFQ-AGIUHOORSA-N -1 3 322.361 2.547 20 0 DFADHM Cc1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)oc1C(=O)[O-] ZINC000568292558 430346286 /nfs/dbraw/zinc/34/62/86/430346286.db2.gz QFWDKCXJNNIKST-LSDHHAIUSA-N -1 3 307.390 2.659 20 0 DFADHM CC[C@@H](C)[C@H](NC(=O)c1cccc2nn[n-]c21)C(F)(F)F ZINC000583003855 430353727 /nfs/dbraw/zinc/35/37/27/430353727.db2.gz JEPBIASZOWSTLV-HQJQHLMTSA-N -1 3 300.284 2.665 20 0 DFADHM CC[C@@H](C)[C@H](NC(=O)c1cccc2[n-]nnc21)C(F)(F)F ZINC000583003855 430353732 /nfs/dbraw/zinc/35/37/32/430353732.db2.gz JEPBIASZOWSTLV-HQJQHLMTSA-N -1 3 300.284 2.665 20 0 DFADHM CC[C@@H](C)[C@H](NC(=O)c1cccc2n[n-]nc21)C(F)(F)F ZINC000583003855 430353733 /nfs/dbraw/zinc/35/37/33/430353733.db2.gz JEPBIASZOWSTLV-HQJQHLMTSA-N -1 3 300.284 2.665 20 0 DFADHM CC(C)C[C@H](C(=O)NCc1ccc([O-])c(F)c1)n1ccnc1 ZINC000635709229 430356157 /nfs/dbraw/zinc/35/61/57/430356157.db2.gz LIPWYVDRVFWKMI-CQSZACIVSA-N -1 3 305.353 2.631 20 0 DFADHM 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/nfs/dbraw/zinc/68/49/08/431684908.db2.gz AMAQCLRACYJDLM-QGZVFWFLSA-N -1 3 324.424 2.700 20 0 DFADHM O=C(Cc1c[nH]c2ccccc12)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647796200 431689628 /nfs/dbraw/zinc/68/96/28/431689628.db2.gz NINBHOWACHRLQH-UHFFFAOYSA-N -1 3 306.325 2.931 20 0 DFADHM Cc1ccc2oc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)cc2n1 ZINC000647799804 431691488 /nfs/dbraw/zinc/69/14/88/431691488.db2.gz JDGKOHUWVJHXRX-UHFFFAOYSA-N -1 3 308.297 2.970 20 0 DFADHM CCc1ccccc1OCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647801016 431691745 /nfs/dbraw/zinc/69/17/45/431691745.db2.gz FQAHIEYLKDVZBU-UHFFFAOYSA-N -1 3 311.341 2.848 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)[nH]n2)o1 ZINC000647799607 431692144 /nfs/dbraw/zinc/69/21/44/431692144.db2.gz GIVCYKXOWKAMEX-UHFFFAOYSA-N -1 3 323.312 2.812 20 0 DFADHM O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccccc1[O-] ZINC000654224585 431700194 /nfs/dbraw/zinc/70/01/94/431700194.db2.gz IFACTLWYEBCIRW-JOYOIKCWSA-N -1 3 303.280 2.622 20 0 DFADHM O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccccc1[O-] ZINC000654224583 431700530 /nfs/dbraw/zinc/70/05/30/431700530.db2.gz IFACTLWYEBCIRW-BXKDBHETSA-N -1 3 303.280 2.622 20 0 DFADHM CCc1nc(CNC[C@@](C)(C(=O)[O-])c2ccccc2)cs1 ZINC000650800025 431705095 /nfs/dbraw/zinc/70/50/95/431705095.db2.gz PVXXPURKZMUJGO-MRXNPFEDSA-N -1 3 304.415 2.838 20 0 DFADHM CCOc1cccc(CNC[C@@](C)(C(=O)[O-])c2ccccc2)n1 ZINC000650800587 431705647 /nfs/dbraw/zinc/70/56/47/431705647.db2.gz BNEJNQOYCHEQGM-GOSISDBHSA-N -1 3 314.385 2.612 20 0 DFADHM CN1CCN(Cc2ccc(C(=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC000650804362 431707377 /nfs/dbraw/zinc/70/73/77/431707377.db2.gz BAKNWFBDZFCYPB-IBGZPJMESA-N -1 3 324.424 2.744 20 0 DFADHM [O-]c1cccc(CN2CC[C@@H]3OCC[C@@H]3C2)c1Br ZINC000648055761 431802255 /nfs/dbraw/zinc/80/22/55/431802255.db2.gz VHKNFXJOFYRMHA-MFKMUULPSA-N -1 3 312.207 2.766 20 0 DFADHM C[C@H]1C[C@@H](NCc2cc([O-])ccc2Br)c2ncnn21 ZINC000657568247 431813283 /nfs/dbraw/zinc/81/32/83/431813283.db2.gz HLKDRZGILMXINY-QPUJVOFHSA-N -1 3 323.194 2.542 20 0 DFADHM CC[C@H]1CCC[C@H]1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000294304079 281089267 /nfs/dbraw/zinc/08/92/67/281089267.db2.gz FXUJZLOIWSHUIA-NWDGAFQWSA-N -1 3 310.419 2.823 20 0 DFADHM CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cc(F)ccc1[O-] ZINC000378359622 281184905 /nfs/dbraw/zinc/18/49/05/281184905.db2.gz KJMIDPIGORNAQJ-UONOGXRCSA-N -1 3 306.381 2.620 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000183077208 281249100 /nfs/dbraw/zinc/24/91/00/281249100.db2.gz CNGLALGBSRXOQY-UHFFFAOYSA-N -1 3 314.316 2.977 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@]3(CCCOC3)C2)ccc1[O-] ZINC000362873370 281377273 /nfs/dbraw/zinc/37/72/73/281377273.db2.gz HIJDTTUCEZRYEA-SFHVURJKSA-N -1 3 303.402 2.987 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(F)c(F)c1 ZINC000078776260 281845353 /nfs/dbraw/zinc/84/53/53/281845353.db2.gz ZQVMALRQNPICKO-UHFFFAOYSA-N -1 3 321.327 2.906 20 0 DFADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1n[n-]c(=O)s1 ZINC000367459167 288390186 /nfs/dbraw/zinc/39/01/86/288390186.db2.gz RCTXMFBUQRNYMT-JTNHKYCSSA-N -1 3 305.403 2.594 20 0 DFADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1csc(=O)[n-]1 ZINC000369079675 288394634 /nfs/dbraw/zinc/39/46/34/288394634.db2.gz XAZLDNXPVINHRB-GYSYKLTISA-N -1 3 318.398 2.839 20 0 DFADHM C[C@@H]1C[C@@H](C)N(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000408148747 288483822 /nfs/dbraw/zinc/48/38/22/288483822.db2.gz IESJNNYDHDBKSN-RKDXNWHRSA-N -1 3 306.312 2.677 20 0 DFADHM C[C@@H]1C[C@H](NCc2ccc(C(=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000263428173 288762782 /nfs/dbraw/zinc/76/27/82/288762782.db2.gz RGDYATNUFQNMDN-DYVFJYSZSA-N -1 3 324.380 2.668 20 0 DFADHM CCOC(=O)N[C@H](C(=O)Nc1ccc(Cl)cc1[O-])C(C)C ZINC000153643421 289053826 /nfs/dbraw/zinc/05/38/26/289053826.db2.gz OYSRTWHGZCRXLR-LBPRGKRZSA-N -1 3 314.769 2.755 20 0 DFADHM CCc1nc(=NC[C@@H]2CCN(C)[C@@H]2c2cccs2)s[n-]1 ZINC000363352994 289082148 /nfs/dbraw/zinc/08/21/48/289082148.db2.gz QPIUDIHQSBTTDO-GWCFXTLKSA-N -1 3 308.476 2.689 20 0 DFADHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)C1CC(C)(C)C1 ZINC000412846739 289101698 /nfs/dbraw/zinc/10/16/98/289101698.db2.gz XHJYIVSFLMUZOE-UHFFFAOYSA-N -1 3 305.422 2.769 20 0 DFADHM Cc1ccnc(N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000288678887 292778720 /nfs/dbraw/zinc/77/87/20/292778720.db2.gz ZURLEWFGSDZOCD-GVXVVHGQSA-N -1 3 315.339 2.672 20 0 DFADHM CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1ccccc1[O-] ZINC000436420144 297002296 /nfs/dbraw/zinc/00/22/96/297002296.db2.gz KZAVXVIQKPSOCD-LBPRGKRZSA-N -1 3 313.419 2.572 20 0 DFADHM COC(=O)c1cc(OC)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC000436481846 297005808 /nfs/dbraw/zinc/00/58/08/297005808.db2.gz BITIBLDOIZZLPO-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM COC(=O)c1ccc(C)c([N-]C(=O)c2cc(C(C)C)no2)c1O ZINC000436488630 297005999 /nfs/dbraw/zinc/00/59/99/297005999.db2.gz MFMQZCQDYQWSKB-UHFFFAOYSA-N -1 3 318.329 2.851 20 0 DFADHM CN(C)c1cnc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cn1 ZINC000436509986 297007856 /nfs/dbraw/zinc/00/78/56/297007856.db2.gz HXEBIPNNRKPPKL-UHFFFAOYSA-N -1 3 314.389 2.798 20 0 DFADHM COc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])nn1C ZINC000436514107 297007862 /nfs/dbraw/zinc/00/78/62/297007862.db2.gz QROHBOKZDMNTDK-UHFFFAOYSA-N -1 3 303.362 2.684 20 0 DFADHM COc1cccc(C(=O)NCCc2cccc3[nH]ccc32)c1[O-] ZINC000436510962 297007893 /nfs/dbraw/zinc/00/78/93/297007893.db2.gz JUSSHQJJLHPEAN-UHFFFAOYSA-N -1 3 310.353 2.855 20 0 DFADHM O=C(NCc1cnc[nH]1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436541236 297010750 /nfs/dbraw/zinc/01/07/50/297010750.db2.gz YVYBZEDFEUMRFW-UHFFFAOYSA-N -1 3 301.733 2.852 20 0 DFADHM O=C(NCc1ncc[nH]1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436550033 297011466 /nfs/dbraw/zinc/01/14/66/297011466.db2.gz HPYMEOZHMPTRNA-UHFFFAOYSA-N -1 3 309.325 2.838 20 0 DFADHM CC(C)c1ccc(C(=O)NCCN(C)CC(F)(F)F)c([O-])c1 ZINC000436550892 297011617 /nfs/dbraw/zinc/01/16/17/297011617.db2.gz JZNPTQPFHQDIFJ-UHFFFAOYSA-N -1 3 318.339 2.740 20 0 DFADHM CC(C)c1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c([O-])c1 ZINC000436553479 297012161 /nfs/dbraw/zinc/01/21/61/297012161.db2.gz GWUPXJSEEJSQKL-HNNXBMFYSA-N -1 3 302.418 2.824 20 0 DFADHM Cc1cccc(C(=O)NCCOc2ccc(F)cc2F)c1[O-] ZINC000436555771 297012190 /nfs/dbraw/zinc/01/21/90/297012190.db2.gz PGWZXQVVMIJKEM-UHFFFAOYSA-N -1 3 307.296 2.788 20 0 DFADHM Cc1cccn2cc(CNC(=O)c3ccc(C)c(C)c3[O-])nc12 ZINC000436554010 297012309 /nfs/dbraw/zinc/01/23/09/297012309.db2.gz FVUCXAUNVVRGBG-UHFFFAOYSA-N -1 3 309.369 2.895 20 0 DFADHM C[C@H]1CN(C)CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436559580 297012481 /nfs/dbraw/zinc/01/24/81/297012481.db2.gz YANAHJLQWUBTAU-HNNXBMFYSA-N -1 3 324.424 2.759 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1ccnc(NC(=O)C2CC2)c1 ZINC000436558430 297012524 /nfs/dbraw/zinc/01/25/24/297012524.db2.gz VLGFHJAQUAYIDY-UHFFFAOYSA-N -1 3 315.304 2.527 20 0 DFADHM Cc1nc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])n[nH]1 ZINC000436568498 297013230 /nfs/dbraw/zinc/01/32/30/297013230.db2.gz UANYJBRMRGHCJR-UHFFFAOYSA-N -1 3 308.341 2.662 20 0 DFADHM Cc1nnc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])[nH]1 ZINC000436568498 297013231 /nfs/dbraw/zinc/01/32/31/297013231.db2.gz UANYJBRMRGHCJR-UHFFFAOYSA-N -1 3 308.341 2.662 20 0 DFADHM Cc1ccc(C(=O)N2CCOC[C@H]2Cc2ccccc2)c([O-])c1 ZINC000436578804 297014310 /nfs/dbraw/zinc/01/43/10/297014310.db2.gz SLVPLOVGTCVXGP-MRXNPFEDSA-N -1 3 311.381 2.784 20 0 DFADHM CCOC(=O)CC[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436578560 297014511 /nfs/dbraw/zinc/01/45/11/297014511.db2.gz RMNKSHCCQQXOOP-LBPRGKRZSA-N -1 3 307.390 2.977 20 0 DFADHM Cc1ccc(C(=O)NCCCC(=O)OC(C)(C)C)c([O-])c1C ZINC000436582194 297014867 /nfs/dbraw/zinc/01/48/67/297014867.db2.gz DDYINQADBNOXBR-UHFFFAOYSA-N -1 3 307.390 2.861 20 0 DFADHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436587862 297015396 /nfs/dbraw/zinc/01/53/96/297015396.db2.gz GJCPIYOZAXIISS-AAEUAGOBSA-N -1 3 319.401 2.745 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2CCc3cn(C(C)C)nc3C2)c([O-])c1 ZINC000436594123 297016144 /nfs/dbraw/zinc/01/61/44/297016144.db2.gz DEESLQCTMRHCPE-CQSZACIVSA-N -1 3 313.401 2.765 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2CCc3cn(C(C)C)nc3C2)c([O-])c1 ZINC000436594122 297016357 /nfs/dbraw/zinc/01/63/57/297016357.db2.gz DEESLQCTMRHCPE-AWEZNQCLSA-N -1 3 313.401 2.765 20 0 DFADHM O=C(N[C@H]1CCCC[C@H]1CO)c1cc2c(cc1[O-])CCCC2 ZINC000436595678 297016545 /nfs/dbraw/zinc/01/65/45/297016545.db2.gz JFCZRIYOSXFOIT-HOCLYGCPSA-N -1 3 303.402 2.552 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCc3ccc(F)cn3)c([O-])c2O1 ZINC000436597336 297016782 /nfs/dbraw/zinc/01/67/82/297016782.db2.gz PODTVZUWNPGMNR-UHFFFAOYSA-N -1 3 316.332 2.570 20 0 DFADHM O=C(NCc1ccc(F)cn1)c1cc2c(cc1[O-])CCCC2 ZINC000436599419 297017048 /nfs/dbraw/zinc/01/70/48/297017048.db2.gz XUFQIHKBKXNULC-UHFFFAOYSA-N -1 3 300.333 2.735 20 0 DFADHM CC(=O)c1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1[O-] ZINC000436601830 297017308 /nfs/dbraw/zinc/01/73/08/297017308.db2.gz CJHXYYAELNYHHD-UHFFFAOYSA-N -1 3 310.353 2.795 20 0 DFADHM CCC(CC)[C@@H](CCNC(=O)c1ccc(OC)cc1[O-])OC ZINC000436602168 297017414 /nfs/dbraw/zinc/01/74/14/297017414.db2.gz DSKJRQYQUOSIFU-MRXNPFEDSA-N -1 3 309.406 2.972 20 0 DFADHM CC(C)(C)C1=CCN(CCNC(=O)c2c([O-])cccc2F)CC1 ZINC000436608525 297017824 /nfs/dbraw/zinc/01/78/24/297017824.db2.gz QOTGCLFLPKEEPH-UHFFFAOYSA-N -1 3 320.408 2.939 20 0 DFADHM CCOC(=O)CC(C)(C)N(C)C(=O)c1cc(CC)ccc1[O-] ZINC000436615196 297018219 /nfs/dbraw/zinc/01/82/19/297018219.db2.gz CXTSDSOKYDXGLI-UHFFFAOYSA-N -1 3 307.390 2.758 20 0 DFADHM CCN1C[C@H](C)N(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@@H]1C ZINC000436615477 297018244 /nfs/dbraw/zinc/01/82/44/297018244.db2.gz DYDODRDCUUMAGR-KBPBESRZSA-N -1 3 316.445 2.826 20 0 DFADHM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc(O)cc1[O-] ZINC000436625829 297019106 /nfs/dbraw/zinc/01/91/06/297019106.db2.gz PSJNRKMIAHYWKH-AWEZNQCLSA-N -1 3 317.316 2.663 20 0 DFADHM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc([O-])c(OC)c1 ZINC000436632887 297019798 /nfs/dbraw/zinc/01/97/98/297019798.db2.gz GXSNHKMIWZNAFG-CQSZACIVSA-N -1 3 307.390 2.822 20 0 DFADHM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1c([O-])cccc1O ZINC000436645831 297020568 /nfs/dbraw/zinc/02/05/68/297020568.db2.gz DVWWRFNVDLLOQF-YJBOKZPZSA-N -1 3 313.353 2.566 20 0 DFADHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1c([O-])cccc1O ZINC000436646934 297021066 /nfs/dbraw/zinc/02/10/66/297021066.db2.gz HQRNFECVDDPCRD-ZDUSSCGKSA-N -1 3 313.353 2.914 20 0 DFADHM CCCCO[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2O)C1(C)C ZINC000436649144 297021467 /nfs/dbraw/zinc/02/14/67/297021467.db2.gz SUTRYQAOAJTDGL-ZIAGYGMSSA-N -1 3 307.390 2.811 20 0 DFADHM COC(=O)CC1(NC(=O)c2ccc(C)c(C)c2[O-])CCCC1 ZINC000436662570 297022730 /nfs/dbraw/zinc/02/27/30/297022730.db2.gz ZJAPLJGJFSZPJS-UHFFFAOYSA-N -1 3 305.374 2.615 20 0 DFADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC(CCO)C1 ZINC000436667250 297023164 /nfs/dbraw/zinc/02/31/64/297023164.db2.gz UABQCNJZMMJUKH-UHFFFAOYSA-N -1 3 313.353 2.639 20 0 DFADHM COc1ccc(OC)c(CNC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436667771 297023258 /nfs/dbraw/zinc/02/32/58/297023258.db2.gz VDJRQZOTSYBJBR-UHFFFAOYSA-N -1 3 315.369 2.956 20 0 DFADHM CN(C)[C@@H](CNC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000436671454 297023376 /nfs/dbraw/zinc/02/33/76/297023376.db2.gz JLWXHVJMLORXOM-HNNXBMFYSA-N -1 3 302.349 2.564 20 0 DFADHM CCCCOCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436683762 297024477 /nfs/dbraw/zinc/02/44/77/297024477.db2.gz VRFWOBXEVZUHSK-UHFFFAOYSA-N -1 3 307.390 2.652 20 0 DFADHM COc1cccc(C(F)(F)CNC(=O)c2cc(C)ccc2[O-])n1 ZINC000436679712 297024925 /nfs/dbraw/zinc/02/49/25/297024925.db2.gz GSMNVTFAEURNDZ-UHFFFAOYSA-N -1 3 322.311 2.626 20 0 DFADHM Cc1ccc(C(=O)NCCc2nc(CC(C)(C)C)no2)c([O-])c1 ZINC000436685947 297025174 /nfs/dbraw/zinc/02/51/74/297025174.db2.gz CVDUOFFXIYYJEM-UHFFFAOYSA-N -1 3 317.389 2.645 20 0 DFADHM COCCOc1ccccc1CNC(=O)c1ccc(C)cc1[O-] ZINC000436692786 297025671 /nfs/dbraw/zinc/02/56/71/297025671.db2.gz ZYAWZYVEZBMEBC-UHFFFAOYSA-N -1 3 315.369 2.656 20 0 DFADHM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436695983 297025874 /nfs/dbraw/zinc/02/58/74/297025874.db2.gz HBRVHWRSKWPNIF-LLVKDONJSA-N -1 3 301.342 2.906 20 0 DFADHM COc1ccc(C(=O)NCCC2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000436707942 297026768 /nfs/dbraw/zinc/02/67/68/297026768.db2.gz ZGDZSAJWEIKSPW-VXGBXAGGSA-N -1 3 307.390 2.724 20 0 DFADHM CCC[C@@H](C)C(=O)NCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436708926 297026774 /nfs/dbraw/zinc/02/67/74/297026774.db2.gz UCMAWJUQNATMIM-CYBMUJFWSA-N -1 3 320.433 2.798 20 0 DFADHM Cc1ccc(C(=O)NCCCN2CCc3ccccc32)c([O-])c1 ZINC000436704694 297026791 /nfs/dbraw/zinc/02/67/91/297026791.db2.gz MIHNWCGVOOBCNQ-UHFFFAOYSA-N -1 3 310.397 2.883 20 0 DFADHM NC(=O)c1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436753592 297031752 /nfs/dbraw/zinc/03/17/52/297031752.db2.gz DXLNSVDBOQUQSP-UHFFFAOYSA-N -1 3 310.353 2.622 20 0 DFADHM Cc1ccc(C(=O)NCc2ncn(-c3ccccc3)n2)c([O-])c1C ZINC000436753100 297031764 /nfs/dbraw/zinc/03/17/64/297031764.db2.gz ZYTRGKLBSFSEOW-UHFFFAOYSA-N -1 3 322.368 2.520 20 0 DFADHM Cc1cccc(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c1[O-] ZINC000436709656 297027227 /nfs/dbraw/zinc/02/72/27/297027227.db2.gz YYJFNZKBCSAEOE-INIZCTEOSA-N -1 3 301.386 2.732 20 0 DFADHM CC[C@@H](C)N[C@H](CNC(=O)c1cc(F)ccc1[O-])c1ccco1 ZINC000436712620 297027371 /nfs/dbraw/zinc/02/73/71/297027371.db2.gz GUUKBMYMPNOGFS-BXUZGUMPSA-N -1 3 320.364 2.984 20 0 DFADHM COCCN(C(=O)c1ccc(OC)cc1[O-])[C@H]1CCC[C@@H]1C ZINC000436733236 297029676 /nfs/dbraw/zinc/02/96/76/297029676.db2.gz USPVQGGBULGBLG-WFASDCNBSA-N -1 3 307.390 2.678 20 0 DFADHM CC[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])C(C)(C)C ZINC000436736750 297029960 /nfs/dbraw/zinc/02/99/60/297029960.db2.gz HFXOAWAJHMGPBN-OAHLLOKOSA-N -1 3 320.433 2.761 20 0 DFADHM CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccccc1[O-])C(=O)N2 ZINC000436740392 297030517 /nfs/dbraw/zinc/03/05/17/297030517.db2.gz RTGOHYBJETUMES-ZDUSSCGKSA-N -1 3 324.380 2.810 20 0 DFADHM CCOC(=O)c1sc(NC(=O)c2cc(C)ccc2[O-])nc1C ZINC000436745345 297030949 /nfs/dbraw/zinc/03/09/49/297030949.db2.gz UCIDAWUSKXUDLF-UHFFFAOYSA-N -1 3 320.370 2.895 20 0 DFADHM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccccc1[O-] ZINC000436757857 297032411 /nfs/dbraw/zinc/03/24/11/297032411.db2.gz XWVUYMHTGAESAV-LBPRGKRZSA-N -1 3 313.353 2.872 20 0 DFADHM CN(CCN1CCCC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763120 297032496 /nfs/dbraw/zinc/03/24/96/297032496.db2.gz JAYGLFZHSIBKPT-UHFFFAOYSA-N -1 3 316.323 2.579 20 0 DFADHM Cc1nn(C)c(C)c1CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436759512 297032578 /nfs/dbraw/zinc/03/25/78/297032578.db2.gz ZDVQXUZTZABPLX-UHFFFAOYSA-N -1 3 315.417 2.838 20 0 DFADHM CC(C)OCCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436776799 297033776 /nfs/dbraw/zinc/03/37/76/297033776.db2.gz KMNDPVJOYBMSQG-UHFFFAOYSA-N -1 3 307.390 2.651 20 0 DFADHM COCCN(C(=O)c1cc(C)ccc1[O-])[C@H]1CCCSC1 ZINC000436806068 297035637 /nfs/dbraw/zinc/03/56/37/297035637.db2.gz FNVWCIOSLHXKRM-ZDUSSCGKSA-N -1 3 309.431 2.685 20 0 DFADHM CCN(CCNC(=O)c1cc(C)ccc1[O-])CCC(F)(F)F ZINC000436806766 297036005 /nfs/dbraw/zinc/03/60/05/297036005.db2.gz CHKUACLVQRJZQD-UHFFFAOYSA-N -1 3 318.339 2.705 20 0 DFADHM CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000436816060 297036722 /nfs/dbraw/zinc/03/67/22/297036722.db2.gz ZARBUAKXYILHCH-AWEZNQCLSA-N -1 3 315.369 2.511 20 0 DFADHM O=C(N[C@@H](CCO)c1ccco1)c1cc2c(cc1[O-])CCCC2 ZINC000436822226 297036913 /nfs/dbraw/zinc/03/69/13/297036913.db2.gz NXYOCJXCPHHBDL-HNNXBMFYSA-N -1 3 315.369 2.718 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](C)c2nnc(C(C)C)[nH]2)c([O-])c1 ZINC000436826511 297037668 /nfs/dbraw/zinc/03/76/68/297037668.db2.gz AJUDJPKSHIDREO-JTQLQIEISA-N -1 3 302.378 2.687 20 0 DFADHM CCc1ccc(C(=O)N[C@H](C)[C@H](O)Cc2ccccc2)c([O-])c1 ZINC000436828650 297037958 /nfs/dbraw/zinc/03/79/58/297037958.db2.gz JBEDJBMXLXSMCL-CXAGYDPISA-N -1 3 313.397 2.677 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)c([O-])c1 ZINC000436829993 297038074 /nfs/dbraw/zinc/03/80/74/297038074.db2.gz CARWELHAVFLCCB-CABCVRRESA-N -1 3 303.402 2.843 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)c([O-])c1 ZINC000436829999 297038228 /nfs/dbraw/zinc/03/82/28/297038228.db2.gz CARWELHAVFLCCB-LSDHHAIUSA-N -1 3 303.402 2.843 20 0 DFADHM Cc1ccc(C(=O)N2CCOc3ccc(F)cc3C2)c([O-])c1 ZINC000436834078 297038407 /nfs/dbraw/zinc/03/84/07/297038407.db2.gz XVGSCYCERNIUEW-UHFFFAOYSA-N -1 3 301.317 2.875 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)c([O-])c1 ZINC000436831844 297038416 /nfs/dbraw/zinc/03/84/16/297038416.db2.gz HDDSHKKWGIHLEJ-HNNXBMFYSA-N -1 3 318.417 2.509 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@H]2C2CCOCC2)c([O-])c1 ZINC000436837277 297038928 /nfs/dbraw/zinc/03/89/28/297038928.db2.gz HFCGAKFBJKFDRX-INIZCTEOSA-N -1 3 303.402 2.986 20 0 DFADHM CN(CC[C@H]1CCCO1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436837333 297039038 /nfs/dbraw/zinc/03/90/38/297039038.db2.gz FZDDHDBFTUWGOQ-CYBMUJFWSA-N -1 3 319.401 2.747 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2COc3cccc(Cl)c32)c([O-])c1 ZINC000436857250 297039977 /nfs/dbraw/zinc/03/99/77/297039977.db2.gz VMMZOBPPYIAPPD-GFCCVEGCSA-N -1 3 319.744 2.918 20 0 DFADHM COc1ccc(CCNC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000436857330 297040184 /nfs/dbraw/zinc/04/01/84/297040184.db2.gz WSDHMDIOSJJIDI-UHFFFAOYSA-N -1 3 313.353 2.576 20 0 DFADHM COC[C@H](CCO)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436851526 297040267 /nfs/dbraw/zinc/04/02/67/297040267.db2.gz MAHYANXNALMLMB-AWEZNQCLSA-N -1 3 323.433 2.766 20 0 DFADHM O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1c([O-])cccc1O ZINC000436860274 297040343 /nfs/dbraw/zinc/04/03/43/297040343.db2.gz NMTXYPCGRRYFBJ-UHFFFAOYSA-N -1 3 324.340 2.660 20 0 DFADHM CCc1ccc(-c2nc(-c3ccc(CC(N)=O)cc3)no2)c([O-])c1 ZINC000436865554 297040762 /nfs/dbraw/zinc/04/07/62/297040762.db2.gz SLKUVCGMVMPJTP-UHFFFAOYSA-N -1 3 323.352 2.699 20 0 DFADHM CCC(CC)[C@@H](O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436864005 297041037 /nfs/dbraw/zinc/04/10/37/297041037.db2.gz MJSLXTJSFHVVDZ-KRWDZBQOSA-N -1 3 305.418 2.798 20 0 DFADHM COCCOc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccn1 ZINC000436875154 297041765 /nfs/dbraw/zinc/04/17/65/297041765.db2.gz WZHQIIDSFNMVSZ-UHFFFAOYSA-N -1 3 322.748 2.718 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)ccc1[O-] ZINC000436902959 297043608 /nfs/dbraw/zinc/04/36/08/297043608.db2.gz RZDKBSDKRAZZSD-CYBMUJFWSA-N -1 3 322.368 2.772 20 0 DFADHM CC(C)(CCO)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436885116 297042302 /nfs/dbraw/zinc/04/23/02/297042302.db2.gz IFEUKNWTQJGDMZ-UHFFFAOYSA-N -1 3 313.397 2.874 20 0 DFADHM Cc1nc(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)no1 ZINC000436897872 297042889 /nfs/dbraw/zinc/04/28/89/297042889.db2.gz UXPIWNOOPXQTQH-UHFFFAOYSA-N -1 3 300.318 2.848 20 0 DFADHM C[C@@H]1C[C@H](O)CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436896903 297043053 /nfs/dbraw/zinc/04/30/53/297043053.db2.gz UUVANNPAHBXMSK-OLZOCXBDSA-N -1 3 313.353 2.780 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)ccc1[O-] ZINC000436900909 297043354 /nfs/dbraw/zinc/04/33/54/297043354.db2.gz FGPMUDWOTCFTGJ-SNVBAGLBSA-N -1 3 303.362 2.872 20 0 DFADHM CC1(C)CN(C(=O)c2ccccc2[O-])C[C@@](C)(C(F)(F)F)O1 ZINC000436907662 297043784 /nfs/dbraw/zinc/04/37/84/297043784.db2.gz GJRFRHKRECBZAJ-AWEZNQCLSA-N -1 3 317.307 2.964 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC(=O)[C@@H](C)C2)c([O-])c1 ZINC000436906829 297043980 /nfs/dbraw/zinc/04/39/80/297043980.db2.gz FEXMFOUZAMVGAV-LBPRGKRZSA-N -1 3 305.374 2.622 20 0 DFADHM CCc1nc([C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])n[nH]1 ZINC000436914025 297044319 /nfs/dbraw/zinc/04/43/19/297044319.db2.gz KDHCELQQTARJHL-SNVBAGLBSA-N -1 3 310.357 2.717 20 0 DFADHM COc1cccc(C(=O)NCCCc2ccccc2F)c1[O-] ZINC000436915454 297044342 /nfs/dbraw/zinc/04/43/42/297044342.db2.gz QKEIQRPVLLBJTJ-UHFFFAOYSA-N -1 3 303.333 2.903 20 0 DFADHM COc1cccc(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)c1[O-] ZINC000436922521 297045030 /nfs/dbraw/zinc/04/50/30/297045030.db2.gz YRISAGOHRRJLQW-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM Cc1cc(C(=O)N[C@@H](c2nnc3ccccn32)C(C)C)ccc1[O-] ZINC000436926311 297045277 /nfs/dbraw/zinc/04/52/77/297045277.db2.gz JMYWIPWMVUVQLK-MRXNPFEDSA-N -1 3 324.384 2.870 20 0 DFADHM CCOC(=O)c1ccc(CNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436927730 297045522 /nfs/dbraw/zinc/04/55/22/297045522.db2.gz QOVYQQCCFDHXKB-UHFFFAOYSA-N -1 3 313.353 2.807 20 0 DFADHM Cn1cnc2c1nccc2C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436932051 297045894 /nfs/dbraw/zinc/04/58/94/297045894.db2.gz NWMDPKAHJXXDIK-UHFFFAOYSA-N -1 3 302.721 2.580 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)ccc1[O-] ZINC000436937280 297046187 /nfs/dbraw/zinc/04/61/87/297046187.db2.gz FECZZIAJGFHHAF-OAHLLOKOSA-N -1 3 313.401 2.765 20 0 DFADHM COCc1cc(CNC(=O)c2ccc([O-])c(C)c2)ccc1F ZINC000436939979 297046335 /nfs/dbraw/zinc/04/63/35/297046335.db2.gz SPZLCKJAOGYDFB-UHFFFAOYSA-N -1 3 303.333 2.916 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)ccc1[O-] ZINC000436935878 297046392 /nfs/dbraw/zinc/04/63/92/297046392.db2.gz DLJVJTATHCBURH-CYBMUJFWSA-N -1 3 314.389 2.680 20 0 DFADHM COc1cccc(C(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)c1[O-] ZINC000436982183 297049664 /nfs/dbraw/zinc/04/96/64/297049664.db2.gz TUYNGEPSBFACST-KPZWWZAWSA-N -1 3 321.417 2.708 20 0 DFADHM COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436963496 297048066 /nfs/dbraw/zinc/04/80/66/297048066.db2.gz PUSBLQSXFYATGM-IUODEOHRSA-N -1 3 319.401 2.929 20 0 DFADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(O)c(CO)c2)CC)n1 ZINC000436965874 297048639 /nfs/dbraw/zinc/04/86/39/297048639.db2.gz LDFFNZRBYYWYEE-JYRVWZFOSA-N -1 3 314.385 2.871 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)c([O-])c1 ZINC000436973019 297048889 /nfs/dbraw/zinc/04/88/89/297048889.db2.gz RSXKJQPVOVXCOB-BLLLJJGKSA-N -1 3 307.390 2.868 20 0 DFADHM CCCCOc1ccc(C(=O)N(C)CCN2CCCC2)c([O-])c1 ZINC000436972146 297048971 /nfs/dbraw/zinc/04/89/71/297048971.db2.gz MSTONIZBNZQOTO-UHFFFAOYSA-N -1 3 320.433 2.739 20 0 DFADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)[C@@H]1CCCCO1 ZINC000436981807 297049975 /nfs/dbraw/zinc/04/99/75/297049975.db2.gz VFMZYZWMHGYVKN-WBMJQRKESA-N -1 3 303.402 2.958 20 0 DFADHM CCCCOc1ccc(C(=O)N2CC[C@H](COC)C2)c([O-])c1 ZINC000436985681 297050294 /nfs/dbraw/zinc/05/02/94/297050294.db2.gz FKPAULVDESWWDZ-ZDUSSCGKSA-N -1 3 307.390 2.680 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2ncoc2C)c([O-])c1 ZINC000436987829 297050388 /nfs/dbraw/zinc/05/03/88/297050388.db2.gz KGMFZFMQLVMNLN-UHFFFAOYSA-N -1 3 304.346 2.798 20 0 DFADHM Cc1ccc(C(=O)N[C@H](Cc2nnc[nH]2)c2ccccc2)c([O-])c1 ZINC000436988444 297050587 /nfs/dbraw/zinc/05/05/87/297050587.db2.gz KAFYUZIKABXODQ-OAHLLOKOSA-N -1 3 322.368 2.533 20 0 DFADHM CCCCOc1ccc(C(=O)N(C)CC2(O)CCC2)c([O-])c1 ZINC000436991657 297051301 /nfs/dbraw/zinc/05/13/01/297051301.db2.gz RZVONGABRANVIE-UHFFFAOYSA-N -1 3 307.390 2.558 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@H](C2CC2)O1 ZINC000436995096 297051338 /nfs/dbraw/zinc/05/13/38/297051338.db2.gz CFDWHENVQCOKKT-SJKOYZFVSA-N -1 3 315.413 2.911 20 0 DFADHM Cc1ccc(-c2nc(Cc3cn4ccccc4n3)no2)c([O-])c1 ZINC000436996297 297051641 /nfs/dbraw/zinc/05/16/41/297051641.db2.gz KAFLPHLUVUSZLZ-UHFFFAOYSA-N -1 3 306.325 2.989 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@H](C2CC2)O1 ZINC000436995358 297051677 /nfs/dbraw/zinc/05/16/77/297051677.db2.gz CLWALGKUCIMZDT-KZULUSFZSA-N -1 3 315.413 2.911 20 0 DFADHM CNC(=O)c1cc2cc(NC(=O)c3ccc([O-])c(C)c3)ccc2[nH]1 ZINC000436999418 297051748 /nfs/dbraw/zinc/05/17/48/297051748.db2.gz LJVKZCHUYCPKDX-UHFFFAOYSA-N -1 3 323.352 2.794 20 0 DFADHM Cc1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1[O-] ZINC000436997347 297051773 /nfs/dbraw/zinc/05/17/73/297051773.db2.gz IJTCFZZMQKTZAJ-HOCLYGCPSA-N -1 3 315.344 2.788 20 0 DFADHM CC(C)(C)OC(=O)NCCCCC(=O)[N-]OC1CCCC1 ZINC000495224679 299912086 /nfs/dbraw/zinc/91/20/86/299912086.db2.gz YYMHCCMKENXRQJ-UHFFFAOYSA-N -1 3 300.399 2.672 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([O-])c1C ZINC000154010681 295290266 /nfs/dbraw/zinc/29/02/66/295290266.db2.gz BBSSMYRPKKXVHI-IMJJTQAJSA-N -1 3 301.386 2.696 20 0 DFADHM C[C@@H](CCO)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000154265635 295295738 /nfs/dbraw/zinc/29/57/38/295295738.db2.gz LTQIVWXBVGGJSO-AWEZNQCLSA-N -1 3 313.397 2.731 20 0 DFADHM Cc1ccc(SCCn2cc(Cl)c(=O)[n-]c2=O)cc1C ZINC000154386877 295299059 /nfs/dbraw/zinc/29/90/59/295299059.db2.gz PZCVSUPTLWEDFX-UHFFFAOYSA-N -1 3 310.806 2.599 20 0 DFADHM CS(=O)(=O)c1cc(C(=O)[N-]c2c(F)cccc2F)cs1 ZINC000154727989 295305596 /nfs/dbraw/zinc/30/55/96/295305596.db2.gz KLYGGUBQYAOPEU-UHFFFAOYSA-N -1 3 317.338 2.682 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCc3ccccc3)c[n-]c12 ZINC000154820334 295307171 /nfs/dbraw/zinc/30/71/71/295307171.db2.gz ZNIUQICMPXKGQE-UHFFFAOYSA-N -1 3 324.355 2.948 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H](C[S@](C)=O)c2ccccc2)c1 ZINC000156426791 295336282 /nfs/dbraw/zinc/33/62/82/295336282.db2.gz IAEUUELRQCLNTF-IVZQSRNASA-N -1 3 317.410 2.550 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(OCC(F)F)nc1 ZINC000156917918 295342460 /nfs/dbraw/zinc/34/24/60/295342460.db2.gz MFVVCMCNXXOWOP-UHFFFAOYSA-N -1 3 312.247 2.823 20 0 DFADHM COc1cc(C(=O)NC/C=C/c2ccccc2)cc(OC)c1[O-] ZINC000157046252 295344273 /nfs/dbraw/zinc/34/42/73/295344273.db2.gz LLMLUSWNAXRTDH-RMKNXTFCSA-N -1 3 313.353 2.853 20 0 DFADHM CCCCN(CCO)Cc1cc([O-])ccc1Br ZINC000159102729 295372124 /nfs/dbraw/zinc/37/21/24/295372124.db2.gz LOLPZGLJKIHGQP-UHFFFAOYSA-N -1 3 302.212 2.749 20 0 DFADHM Cc1cc(=NC(=O)c2ccc(-c3ccncc3)nc2[O-])c(C)c[nH]1 ZINC000370810831 295466654 /nfs/dbraw/zinc/46/66/54/295466654.db2.gz RAOPUHQYALVBPX-UHFFFAOYSA-N -1 3 320.352 2.535 20 0 DFADHM C[C@H](CCCCO)NCc1cccc([O-])c1Br ZINC000398463921 295490813 /nfs/dbraw/zinc/49/08/13/295490813.db2.gz ZMHXLTICDCEVNL-SNVBAGLBSA-N -1 3 302.212 2.795 20 0 DFADHM C[C@@H]1CSC[C@H]1NCc1cccc([O-])c1Br ZINC000397751431 295488485 /nfs/dbraw/zinc/48/84/85/295488485.db2.gz DTEMXFWKYUHUJW-PSASIEDQSA-N -1 3 302.237 2.996 20 0 DFADHM O=C([O-])[C@H]1CC12CCN(CCOc1ccccc1Cl)CC2 ZINC000405433031 295502514 /nfs/dbraw/zinc/50/25/14/295502514.db2.gz CGXZEAWBUMESBT-GFCCVEGCSA-N -1 3 309.793 2.906 20 0 DFADHM CC(=O)c1ccc(C(=O)N(C)CCc2cccs2)cc1[O-] ZINC000412152986 295594394 /nfs/dbraw/zinc/59/43/94/295594394.db2.gz MMFDDFWAWLPIAW-UHFFFAOYSA-N -1 3 303.383 2.971 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2cnn(CC(C)C)c2)cc1[O-] ZINC000412154986 295594592 /nfs/dbraw/zinc/59/45/92/295594592.db2.gz YEMLCONDCNFAOP-UHFFFAOYSA-N -1 3 301.346 2.700 20 0 DFADHM COc1ccc(C(=O)N2CCSC3(CCC3)CC2)c([O-])c1 ZINC000412455107 295625280 /nfs/dbraw/zinc/62/52/80/295625280.db2.gz SGQQAHSEJKLQDP-UHFFFAOYSA-N -1 3 307.415 2.903 20 0 DFADHM COCC[C@@H](C)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000412477627 295627637 /nfs/dbraw/zinc/62/76/37/295627637.db2.gz WQZIZPXHMJEJGO-LLVKDONJSA-N -1 3 307.390 2.508 20 0 DFADHM C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CS1 ZINC000412589188 295636451 /nfs/dbraw/zinc/63/64/51/295636451.db2.gz FHPXQGVOLFWYHH-KOLCDFICSA-N -1 3 307.415 2.730 20 0 DFADHM Cc1cccc(C(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)c1[O-] ZINC000412760254 295653938 /nfs/dbraw/zinc/65/39/38/295653938.db2.gz UJLCDYGWVGMTLB-INIZCTEOSA-N -1 3 303.402 2.978 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(Cc2ccccc2)CC1 ZINC000438550549 297097966 /nfs/dbraw/zinc/09/79/66/297097966.db2.gz ZAFPOIQPGJNLNT-UHFFFAOYSA-N -1 3 319.368 2.828 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(Cc2ccccc2)CC1 ZINC000438550549 297097968 /nfs/dbraw/zinc/09/79/68/297097968.db2.gz ZAFPOIQPGJNLNT-UHFFFAOYSA-N -1 3 319.368 2.828 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)[n-]c(=O)n1 ZINC000438669822 297102046 /nfs/dbraw/zinc/10/20/46/297102046.db2.gz BIBIQLQVDNOFHP-HUUCEWRRSA-N -1 3 311.385 2.632 20 0 DFADHM C[C@@H](CNC(=O)c1ccc(O)cc1[O-])Oc1cccc(Cl)c1 ZINC000439057849 297113233 /nfs/dbraw/zinc/11/32/33/297113233.db2.gz LIFZJRJXSYIBDF-JTQLQIEISA-N -1 3 321.760 2.949 20 0 DFADHM O=S(=O)([N-]CCCC(F)(F)F)c1ccccc1Cl ZINC000439239884 297119424 /nfs/dbraw/zinc/11/94/24/297119424.db2.gz RSLNFYSBYPVNBL-UHFFFAOYSA-N -1 3 301.717 2.961 20 0 DFADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000439259623 297120320 /nfs/dbraw/zinc/12/03/20/297120320.db2.gz QBMJUOBVZUYYSQ-UHFFFAOYSA-N -1 3 311.325 2.872 20 0 DFADHM COc1ccc2c(c1)CCN(C(=O)c1ccc([O-])c(C)c1)CC2 ZINC000440064850 297143634 /nfs/dbraw/zinc/14/36/34/297143634.db2.gz TWKGYUUPIYSQTB-UHFFFAOYSA-N -1 3 311.381 2.950 20 0 DFADHM COC(=O)C[C@@H](NC(=O)c1cccc(C)c1[O-])C1CCCCC1 ZINC000440310576 297150041 /nfs/dbraw/zinc/15/00/41/297150041.db2.gz YEJLAJDECSQWAW-OAHLLOKOSA-N -1 3 319.401 2.942 20 0 DFADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1(C)C ZINC000440406391 297151814 /nfs/dbraw/zinc/15/18/14/297151814.db2.gz XJVGAPGVYODAQI-NWDGAFQWSA-N -1 3 321.801 2.571 20 0 DFADHM CCOc1ccc2c(c1)CCN(Cc1nc(CC)cc(=O)[n-]1)C2 ZINC000441098675 297172488 /nfs/dbraw/zinc/17/24/88/297172488.db2.gz UOKPROXIVNAXCU-UHFFFAOYSA-N -1 3 313.401 2.702 20 0 DFADHM COc1ccc([O-])c(C(=O)N(C)Cc2cnc(C(C)C)nc2)c1 ZINC000441394060 297182619 /nfs/dbraw/zinc/18/26/19/297182619.db2.gz NQZAYEAJJBGZRP-UHFFFAOYSA-N -1 3 315.373 2.586 20 0 DFADHM COc1cccc(CN(C)C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000442644568 297198828 /nfs/dbraw/zinc/19/88/28/297198828.db2.gz IADRFSYWWIEMJQ-UHFFFAOYSA-N -1 3 301.342 2.682 20 0 DFADHM CCN(CCc1nccs1)C(=O)c1ccc([O-])c(OC)c1 ZINC000442797979 297206526 /nfs/dbraw/zinc/20/65/26/297206526.db2.gz ILTPEGUSYHNKCT-UHFFFAOYSA-N -1 3 306.387 2.562 20 0 DFADHM COCC(C)(C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442805523 297207788 /nfs/dbraw/zinc/20/77/88/297207788.db2.gz APKSCSWCEBHENA-UHFFFAOYSA-N -1 3 307.268 2.902 20 0 DFADHM Cc1cc(C(=O)NCc2ccncc2OCC(F)F)ccc1[O-] ZINC000442978652 297212024 /nfs/dbraw/zinc/21/20/24/297212024.db2.gz DCMMGAXPLDVEKF-UHFFFAOYSA-N -1 3 322.311 2.670 20 0 DFADHM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1ccccc1F ZINC000443094517 297216060 /nfs/dbraw/zinc/21/60/60/297216060.db2.gz LOMOFTQFCOEABB-UHFFFAOYSA-N -1 3 318.373 2.828 20 0 DFADHM COc1cc(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)ccc1[O-] ZINC000443130918 297216332 /nfs/dbraw/zinc/21/63/32/297216332.db2.gz JMXRKUKOUFANJM-KZULUSFZSA-N -1 3 321.417 2.708 20 0 DFADHM COc1cc(C(=O)NCCc2ccc(F)cc2C)ccc1[O-] ZINC000443286664 297218519 /nfs/dbraw/zinc/21/85/19/297218519.db2.gz IABUAHXSBKDNIQ-UHFFFAOYSA-N -1 3 303.333 2.821 20 0 DFADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000443306678 297218969 /nfs/dbraw/zinc/21/89/69/297218969.db2.gz GIUIKYRZETVSLT-GXSJLCMTSA-N -1 3 323.817 2.555 20 0 DFADHM CC1(C)COc2c1cccc2C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000447479746 297304900 /nfs/dbraw/zinc/30/49/00/297304900.db2.gz JJGBYJPKLNANNR-UHFFFAOYSA-N -1 3 324.340 2.987 20 0 DFADHM CC1(C)COc2c1cccc2C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000447479746 297304901 /nfs/dbraw/zinc/30/49/01/297304901.db2.gz JJGBYJPKLNANNR-UHFFFAOYSA-N -1 3 324.340 2.987 20 0 DFADHM CC1(C)COc2c1cccc2C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000447479746 297304902 /nfs/dbraw/zinc/30/49/02/297304902.db2.gz JJGBYJPKLNANNR-UHFFFAOYSA-N -1 3 324.340 2.987 20 0 DFADHM COc1nc(NC(=O)CCC[C@@H](C)c2cccc(OC)c2)n[n-]1 ZINC000447551849 297307959 /nfs/dbraw/zinc/30/79/59/297307959.db2.gz TZVZHEISNOJZDJ-LLVKDONJSA-N -1 3 318.377 2.734 20 0 DFADHM COc1nnc(NC(=O)CCC[C@@H](C)c2cccc(OC)c2)[n-]1 ZINC000447551849 297307961 /nfs/dbraw/zinc/30/79/61/297307961.db2.gz TZVZHEISNOJZDJ-LLVKDONJSA-N -1 3 318.377 2.734 20 0 DFADHM COc1n[n-]c(NC(=O)CCC[C@@H](C)c2cccc(OC)c2)n1 ZINC000447551849 297307963 /nfs/dbraw/zinc/30/79/63/297307963.db2.gz TZVZHEISNOJZDJ-LLVKDONJSA-N -1 3 318.377 2.734 20 0 DFADHM Cc1cc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)ccn1 ZINC000448183916 297334640 /nfs/dbraw/zinc/33/46/40/297334640.db2.gz ZXHOFNAGYCZASN-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)ccn1 ZINC000448183916 297334642 /nfs/dbraw/zinc/33/46/42/297334642.db2.gz ZXHOFNAGYCZASN-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)ccn1 ZINC000448183916 297334644 /nfs/dbraw/zinc/33/46/44/297334644.db2.gz ZXHOFNAGYCZASN-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM CN(CCCNC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000448607783 297348395 /nfs/dbraw/zinc/34/83/95/297348395.db2.gz SRSHOYQRBCHIRK-UHFFFAOYSA-N -1 3 316.376 2.717 20 0 DFADHM Cc1cccc(OCCN(C)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448616875 297349240 /nfs/dbraw/zinc/34/92/40/297349240.db2.gz SBCNIKZCDNDHTA-UHFFFAOYSA-N -1 3 317.360 2.920 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccccc2)C1 ZINC000448641072 297351660 /nfs/dbraw/zinc/35/16/60/297351660.db2.gz IJBSRZGFPLTSKV-KRWDZBQOSA-N -1 3 315.344 2.674 20 0 DFADHM COCCN(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448645105 297351919 /nfs/dbraw/zinc/35/19/19/297351919.db2.gz UZTSEVSDRZCASY-UHFFFAOYSA-N -1 3 317.360 2.749 20 0 DFADHM CC(C)Oc1ncccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448720693 297360659 /nfs/dbraw/zinc/36/06/59/297360659.db2.gz FXEPCNNNBBJARE-UHFFFAOYSA-N -1 3 304.321 2.895 20 0 DFADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](O)CC)c2)n1 ZINC000448724052 297361151 /nfs/dbraw/zinc/36/11/51/297361151.db2.gz JMVSORFNDCERQW-AWEZNQCLSA-N -1 3 315.373 2.511 20 0 DFADHM C[C@H](C[C@H](C)O)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450541748 297642071 /nfs/dbraw/zinc/64/20/71/297642071.db2.gz SWQGVFHTNOQHEU-OLZOCXBDSA-N -1 3 301.386 2.754 20 0 DFADHM O=C(c1ccccc1[O-])N1CCN(CC2=CCCCC2)CC1 ZINC000450572752 297648117 /nfs/dbraw/zinc/64/81/17/297648117.db2.gz VGISAPZMVAWLLU-UHFFFAOYSA-N -1 3 300.402 2.650 20 0 DFADHM Cc1cnc([C@@H](C)CNC(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000450592295 297651442 /nfs/dbraw/zinc/65/14/42/297651442.db2.gz OZZCJRJDIVLXII-VIFPVBQESA-N -1 3 308.378 2.759 20 0 DFADHM CCO[C@@H]1C[C@H](NCc2nc(CC)cc(=O)[n-]2)C12CCCC2 ZINC000450966846 297723941 /nfs/dbraw/zinc/72/39/41/297723941.db2.gz IPTRUYPSUIHCIK-UONOGXRCSA-N -1 3 305.422 2.572 20 0 DFADHM Cc1cnc2c(cccc2S(=O)(=O)[N-][C@H](C)C(C)(F)F)c1 ZINC000451074698 297742914 /nfs/dbraw/zinc/74/29/14/297742914.db2.gz XZEZNQCKDRFXLQ-SNVBAGLBSA-N -1 3 314.357 2.865 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2)C(F)F ZINC000451089750 297746300 /nfs/dbraw/zinc/74/63/00/297746300.db2.gz YOWJFZAJJWXMNH-GFCCVEGCSA-N -1 3 317.357 2.528 20 0 DFADHM C[C@](O)(CNC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000451127920 297753268 /nfs/dbraw/zinc/75/32/68/297753268.db2.gz IDAWLCUUSHNBBZ-KRWDZBQOSA-N -1 3 309.381 2.521 20 0 DFADHM CC1([N-]S(=O)(=O)c2ccc3ccccc3c2F)CCOCC1 ZINC000451342692 297792011 /nfs/dbraw/zinc/79/20/11/297792011.db2.gz HIJNXTYYFYGEPY-UHFFFAOYSA-N -1 3 323.389 2.826 20 0 DFADHM COC[C@@]1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCOC1 ZINC000451476415 297811641 /nfs/dbraw/zinc/81/16/41/297811641.db2.gz FMLUGHRWQQREOP-KRWDZBQOSA-N -1 3 307.390 2.681 20 0 DFADHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]CC1(C(F)(F)F)CC1 ZINC000451531061 297825984 /nfs/dbraw/zinc/82/59/84/297825984.db2.gz HVNLGYQBIMRLDY-QMMMGPOBSA-N -1 3 321.311 2.684 20 0 DFADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-][C@H]1CCC[C@H]1F ZINC000451584510 297839853 /nfs/dbraw/zinc/83/98/53/297839853.db2.gz BHOVHNRUFKLIOL-NEPJUHHUSA-N -1 3 309.765 2.789 20 0 DFADHM COC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCC1 ZINC000451619817 297845749 /nfs/dbraw/zinc/84/57/49/297845749.db2.gz YOPFVFHANMIFMR-UHFFFAOYSA-N -1 3 321.801 2.717 20 0 DFADHM CCC[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)OC ZINC000451637415 297849223 /nfs/dbraw/zinc/84/92/23/297849223.db2.gz DUDOYUFCTNDAAV-JTQLQIEISA-N -1 3 323.817 2.714 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451828590 297883250 /nfs/dbraw/zinc/88/32/50/297883250.db2.gz WLSHQPSOQCQKQN-SNVBAGLBSA-N -1 3 307.337 2.848 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2nccn2CC)c([O-])c1 ZINC000452568439 297994267 /nfs/dbraw/zinc/99/42/67/297994267.db2.gz AZDMHXYXDDDLQP-UHFFFAOYSA-N -1 3 317.389 2.718 20 0 DFADHM CO[C@](C)(CNC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000452748291 298018321 /nfs/dbraw/zinc/01/83/21/298018321.db2.gz AGPSCCPNEPQLKT-GOSISDBHSA-N -1 3 317.360 2.752 20 0 DFADHM O=C(NC[C@H]1CC12CCOCC2)c1ccc2c(c1[O-])CCCC2 ZINC000452755022 298019362 /nfs/dbraw/zinc/01/93/62/298019362.db2.gz LYFAZBJMGPJVHB-CQSZACIVSA-N -1 3 315.413 2.818 20 0 DFADHM CC(C)[C@@H]1C[C@H](CNC(=O)Cc2ccc([O-])c(F)c2)CCO1 ZINC000452809057 298027702 /nfs/dbraw/zinc/02/77/02/298027702.db2.gz HOOVHMUQWFQVIQ-CJNGLKHVSA-N -1 3 309.381 2.641 20 0 DFADHM CO[C@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000452856788 298035126 /nfs/dbraw/zinc/03/51/26/298035126.db2.gz YRSRNMDHHHIIOW-ZANVPECISA-N -1 3 317.307 2.908 20 0 DFADHM 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DFADHM O=C([O-])[C@@H]1CC12CCN(Cc1cccc(OC(F)F)c1)CC2 ZINC000517381395 300394712 /nfs/dbraw/zinc/39/47/12/300394712.db2.gz JTDVZNRPIMMEIP-ZDUSSCGKSA-N -1 3 311.328 2.975 20 0 DFADHM COc1ccc(-c2nc(CN[C@@H](C)[C@H](C)C(=O)[O-])co2)cc1 ZINC000518200061 300419631 /nfs/dbraw/zinc/41/96/31/300419631.db2.gz HJBHYQWKQMPMPI-QWRGUYRKSA-N -1 3 304.346 2.549 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2nc3c(s2)CCC3)c1[O-] ZINC000519826330 300481072 /nfs/dbraw/zinc/48/10/72/300481072.db2.gz SGLSWULHKAUQHI-UHFFFAOYSA-N -1 3 302.355 2.792 20 0 DFADHM C[C@@H](C[N-]S(=O)(=O)c1cscn1)Sc1ccccc1 ZINC000520803713 300509541 /nfs/dbraw/zinc/50/95/41/300509541.db2.gz MHHCFMVBYAOIHY-JTQLQIEISA-N -1 3 314.457 2.602 20 0 DFADHM CCc1nc(CC)n(Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000521008187 300514802 /nfs/dbraw/zinc/51/48/02/300514802.db2.gz WCRZWIZNIGPBGI-UHFFFAOYSA-N -1 3 309.373 2.614 20 0 DFADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000271255257 300523181 /nfs/dbraw/zinc/52/31/81/300523181.db2.gz 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C[C@H]1CCN(Cc2cnc(C(=O)[O-])cn2)CC12CCCCC2 ZINC000530162137 301021909 /nfs/dbraw/zinc/02/19/09/301021909.db2.gz GERNZPTVNDRUTJ-ZDUSSCGKSA-N -1 3 303.406 2.967 20 0 DFADHM COCCC1CCN(CCOc2cccc(C(=O)[O-])c2)CC1 ZINC000530164904 301022567 /nfs/dbraw/zinc/02/25/67/301022567.db2.gz SMQOJUXDIKMKMP-UHFFFAOYSA-N -1 3 307.390 2.512 20 0 DFADHM O=C([O-])[C@H]1c2ccoc2CCN1CCCCC1CCOCC1 ZINC000530164666 301022744 /nfs/dbraw/zinc/02/27/44/301022744.db2.gz BPTJLLIPYRGWHU-MRXNPFEDSA-N -1 3 307.390 2.860 20 0 DFADHM O=C([O-])[C@H]1c2ccoc2CCN1C[C@@H]1CCC2(CCCC2)O1 ZINC000530167097 301023404 /nfs/dbraw/zinc/02/34/04/301023404.db2.gz TWOOERVZVTYQQL-SWLSCSKDSA-N -1 3 305.374 2.755 20 0 DFADHM O=C([O-])c1ccc(F)c2c1CN(C[C@@H](O)c1ccccc1)CC2 ZINC000530167218 301023418 /nfs/dbraw/zinc/02/34/18/301023418.db2.gz BBOICKDMNTTWMQ-QGZVFWFLSA-N -1 3 315.344 2.616 20 0 DFADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cccnc1C(F)(F)F)C2 ZINC000530207597 301028855 /nfs/dbraw/zinc/02/88/55/301028855.db2.gz KACATDRDVSGJPL-SMDDNHRTSA-N 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OMBPPUIZDZQBAE-MRVPVSSYSA-N -1 3 302.284 2.727 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCCO[C@H](c2ccccc2)C1 ZINC000682157965 545807228 /nfs/dbraw/zinc/80/72/28/545807228.db2.gz ABDSHWSNSFUGEX-INIZCTEOSA-N -1 3 322.368 2.562 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCCO[C@H](c2ccccc2)C1 ZINC000682157965 545807231 /nfs/dbraw/zinc/80/72/31/545807231.db2.gz ABDSHWSNSFUGEX-INIZCTEOSA-N -1 3 322.368 2.562 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCCO[C@H](c2ccccc2)C1 ZINC000682157965 545807233 /nfs/dbraw/zinc/80/72/33/545807233.db2.gz ABDSHWSNSFUGEX-INIZCTEOSA-N -1 3 322.368 2.562 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCS[C@H](c2ccccc2)C1 ZINC000682161296 545808367 /nfs/dbraw/zinc/80/83/67/545808367.db2.gz PETGUPKUTWKBIC-HNNXBMFYSA-N -1 3 324.409 2.888 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCS[C@H](c2ccccc2)C1 ZINC000682161296 545808371 /nfs/dbraw/zinc/80/83/71/545808371.db2.gz PETGUPKUTWKBIC-HNNXBMFYSA-N -1 3 324.409 2.888 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCS[C@H](c2ccccc2)C1 ZINC000682161296 545808375 /nfs/dbraw/zinc/80/83/75/545808375.db2.gz PETGUPKUTWKBIC-HNNXBMFYSA-N -1 3 324.409 2.888 20 0 DFADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)c1cccc2nn[n-]c21 ZINC000682163322 545810248 /nfs/dbraw/zinc/81/02/48/545810248.db2.gz JBNZAUXKOWPQFT-AWEZNQCLSA-N -1 3 323.400 2.895 20 0 DFADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)c1cccc2[n-]nnc21 ZINC000682163322 545810250 /nfs/dbraw/zinc/81/02/50/545810250.db2.gz JBNZAUXKOWPQFT-AWEZNQCLSA-N -1 3 323.400 2.895 20 0 DFADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)c1cccc2n[n-]nc21 ZINC000682163322 545810257 /nfs/dbraw/zinc/81/02/57/545810257.db2.gz JBNZAUXKOWPQFT-AWEZNQCLSA-N -1 3 323.400 2.895 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2cccnc2-c2cnn(C)c2)c1 ZINC000682439768 545848169 /nfs/dbraw/zinc/84/81/69/545848169.db2.gz GKRCMQQSYLVHKA-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM C[C@H](C[C@@H]1CCOC1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000682512116 545864583 /nfs/dbraw/zinc/86/45/83/545864583.db2.gz VMNUHHFCWCSBDC-OCCSQVGLSA-N -1 3 309.381 2.785 20 0 DFADHM Cc1cc(C(=O)NC[C@@H](c2ccnn2C)C(C)C)ccc1[O-] ZINC000682684392 545897462 /nfs/dbraw/zinc/89/74/62/545897462.db2.gz GEJIIKJXNZBBSC-CQSZACIVSA-N -1 3 301.390 2.604 20 0 DFADHM COc1cccc(CNC[C@@H](C(=O)[O-])C(C)C)c1OC(F)F ZINC000683172186 545983884 /nfs/dbraw/zinc/98/38/84/545983884.db2.gz VLXVKQWXJLFKRZ-LLVKDONJSA-N -1 3 317.332 2.743 20 0 DFADHM O=C([O-])[C@H](CNCc1cccc(F)c1F)Cc1ccccc1 ZINC000683170829 545984004 /nfs/dbraw/zinc/98/40/04/545984004.db2.gz CVFOVVIOTSOXSD-AWEZNQCLSA-N -1 3 305.324 2.998 20 0 DFADHM CC(C)[C@H](CNCc1nc2ccc(Cl)cc2n1C)C(=O)[O-] ZINC000683171343 545984044 /nfs/dbraw/zinc/98/40/44/545984044.db2.gz KETXXTOSNCZETH-NSHDSACASA-N -1 3 309.797 2.673 20 0 DFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCCC12CCC2 ZINC000683517665 546050105 /nfs/dbraw/zinc/05/01/05/546050105.db2.gz OUMLNGSMEATIQT-UHFFFAOYSA-N -1 3 318.323 2.965 20 0 DFADHM CC(C)(C)Oc1ccc(CNC(=O)c2csc(=O)[n-]2)cc1 ZINC000684265781 546184674 /nfs/dbraw/zinc/18/46/74/546184674.db2.gz ZFDXFJOCSROGDS-UHFFFAOYSA-N -1 3 306.387 2.956 20 0 DFADHM Cc1nc2ccccc2c(C)c1CC(=O)NCc1ncccc1[O-] ZINC000684351029 546197686 /nfs/dbraw/zinc/19/76/86/546197686.db2.gz NWMLUXQBPXPGKY-UHFFFAOYSA-N -1 3 321.380 2.811 20 0 DFADHM CC(C)([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(F)F ZINC000684597307 546249276 /nfs/dbraw/zinc/24/92/76/546249276.db2.gz HFGQNHVCNJOFEX-UHFFFAOYSA-N -1 3 315.744 2.942 20 0 DFADHM O=C(Nc1cccc2cnncc21)c1cc(-c2ccco2)[n-]n1 ZINC000684845311 546290146 /nfs/dbraw/zinc/29/01/46/546290146.db2.gz NNURORWSKJLBCF-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM O=C(Nc1cccc2cnncc21)c1cc(-c2ccco2)n[n-]1 ZINC000684845311 546290150 /nfs/dbraw/zinc/29/01/50/546290150.db2.gz NNURORWSKJLBCF-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM O=C(Nc1ccccc1Nc1ccncc1)c1ncccc1[O-] ZINC000684851100 546293281 /nfs/dbraw/zinc/29/32/81/546293281.db2.gz YIOYHYHCCBZUIH-UHFFFAOYSA-N -1 3 306.325 2.600 20 0 DFADHM Cc1nccn1[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000685432580 546348625 /nfs/dbraw/zinc/34/86/25/546348625.db2.gz FKCSTYHIMPLPBL-LLVKDONJSA-N -1 3 321.327 2.653 20 0 DFADHM COc1ccc(C)cc1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000685601582 546374171 /nfs/dbraw/zinc/37/41/71/546374171.db2.gz KLZRHAQWAGHMIE-UHFFFAOYSA-N -1 3 322.368 2.719 20 0 DFADHM Cn1ncc(NC(=O)c2cc([O-])ccc2Cl)c1C(F)F ZINC000685805933 546391941 /nfs/dbraw/zinc/39/19/41/546391941.db2.gz KJRPVZZAELPQID-UHFFFAOYSA-N -1 3 301.680 2.969 20 0 DFADHM CC(C)(C)CCS(=O)(=O)[N-]c1cnn(Cc2ccccn2)c1 ZINC000685900301 546407072 /nfs/dbraw/zinc/40/70/72/546407072.db2.gz RFQJKIKAGUKBOM-UHFFFAOYSA-N -1 3 322.434 2.504 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737383591 598829903 /nfs/dbraw/zinc/82/99/03/598829903.db2.gz CGDDZZORIGIYCJ-GFCCVEGCSA-N -1 3 307.357 2.917 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737383591 598829906 /nfs/dbraw/zinc/82/99/06/598829906.db2.gz CGDDZZORIGIYCJ-GFCCVEGCSA-N -1 3 307.357 2.917 20 0 DFADHM Cc1cccc([C@H](C)C(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000737384672 598830041 /nfs/dbraw/zinc/83/00/41/598830041.db2.gz MPZSUZFBJQJNMU-JTQLQIEISA-N -1 3 313.386 2.979 20 0 DFADHM Cc1cccc([C@H](C)C(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000737384672 598830042 /nfs/dbraw/zinc/83/00/42/598830042.db2.gz MPZSUZFBJQJNMU-JTQLQIEISA-N -1 3 313.386 2.979 20 0 DFADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1C=CCCC1 ZINC000737946809 598845616 /nfs/dbraw/zinc/84/56/16/598845616.db2.gz FUZFFEHTYIRIGJ-GFCCVEGCSA-N -1 3 316.386 2.611 20 0 DFADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1C=CCCC1 ZINC000737946809 598845617 /nfs/dbraw/zinc/84/56/17/598845617.db2.gz FUZFFEHTYIRIGJ-GFCCVEGCSA-N -1 3 316.386 2.611 20 0 DFADHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000736124824 598861066 /nfs/dbraw/zinc/86/10/66/598861066.db2.gz IAJLYZSOLHYHAS-SNVBAGLBSA-N -1 3 316.434 2.732 20 0 DFADHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000736124824 598861068 /nfs/dbraw/zinc/86/10/68/598861068.db2.gz IAJLYZSOLHYHAS-SNVBAGLBSA-N -1 3 316.434 2.732 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H](C)Oc2ccccc2)n1 ZINC000737242487 598869680 /nfs/dbraw/zinc/86/96/80/598869680.db2.gz WQMGMWAFERDKEE-ZDUSSCGKSA-N -1 3 324.388 2.758 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H](C)Oc2ccccc2)n1 ZINC000737242487 598869682 /nfs/dbraw/zinc/86/96/82/598869682.db2.gz WQMGMWAFERDKEE-ZDUSSCGKSA-N -1 3 324.388 2.758 20 0 DFADHM Fc1cccc(NCCCc2nccs2)c1-c1nnn[n-]1 ZINC000737664043 598896117 /nfs/dbraw/zinc/89/61/17/598896117.db2.gz LXSSXOGDDHQVOV-UHFFFAOYSA-N -1 3 304.354 2.507 20 0 DFADHM Fc1cccc(NCCCc2nccs2)c1-c1nn[n-]n1 ZINC000737664043 598896118 /nfs/dbraw/zinc/89/61/18/598896118.db2.gz LXSSXOGDDHQVOV-UHFFFAOYSA-N -1 3 304.354 2.507 20 0 DFADHM CC[C@@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000736408702 598914193 /nfs/dbraw/zinc/91/41/93/598914193.db2.gz GICJQINBTTUJFC-OAHLLOKOSA-N -1 3 306.373 2.776 20 0 DFADHM CC[C@@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000736408702 598914195 /nfs/dbraw/zinc/91/41/95/598914195.db2.gz GICJQINBTTUJFC-OAHLLOKOSA-N -1 3 306.373 2.776 20 0 DFADHM CC(C)[C@H]1CCCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000735747360 598928660 /nfs/dbraw/zinc/92/86/60/598928660.db2.gz COKOWOJNPFXOBG-NSHDSACASA-N -1 3 319.434 2.827 20 0 DFADHM CC(C)[C@H]1CCCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000735747360 598928662 /nfs/dbraw/zinc/92/86/62/598928662.db2.gz COKOWOJNPFXOBG-NSHDSACASA-N -1 3 319.434 2.827 20 0 DFADHM Cc1ccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)o1 ZINC000737320492 598936377 /nfs/dbraw/zinc/93/63/77/598936377.db2.gz LLXHBSPYNCWQQD-MRVPVSSYSA-N -1 3 304.741 2.990 20 0 DFADHM Cc1ccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)o1 ZINC000737320492 598936378 /nfs/dbraw/zinc/93/63/78/598936378.db2.gz LLXHBSPYNCWQQD-MRVPVSSYSA-N -1 3 304.741 2.990 20 0 DFADHM Fc1cc(F)cc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737653898 598940585 /nfs/dbraw/zinc/94/05/85/598940585.db2.gz UJCZEZYKLIZKCV-UHFFFAOYSA-N -1 3 309.663 2.986 20 0 DFADHM Fc1cc(F)cc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737653898 598940587 /nfs/dbraw/zinc/94/05/87/598940587.db2.gz UJCZEZYKLIZKCV-UHFFFAOYSA-N -1 3 309.663 2.986 20 0 DFADHM CC(C)C[C@H](C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000824229110 607783796 /nfs/dbraw/zinc/78/37/96/607783796.db2.gz NPIHJTLPXDTOHX-JTQLQIEISA-N -1 3 304.423 2.588 20 0 DFADHM CC(C)(CNCc1ccc(CSC(F)F)o1)NC(=O)[O-] ZINC000824006125 603576641 /nfs/dbraw/zinc/57/66/41/603576641.db2.gz XWBRVNNVHGIWEC-UHFFFAOYSA-N -1 3 308.350 2.871 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)C1(c2cccc(F)c2)CC1 ZINC000738251428 598979935 /nfs/dbraw/zinc/97/99/35/598979935.db2.gz OAVZDHWEAVPQHL-UHFFFAOYSA-N -1 3 324.315 2.643 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)C1(c2cccc(F)c2)CC1 ZINC000738251428 598979937 /nfs/dbraw/zinc/97/99/37/598979937.db2.gz OAVZDHWEAVPQHL-UHFFFAOYSA-N -1 3 324.315 2.643 20 0 DFADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000735512693 599014922 /nfs/dbraw/zinc/01/49/22/599014922.db2.gz IPGWPTHQISLNIY-LLVKDONJSA-N -1 3 301.394 2.507 20 0 DFADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000735512693 599014923 /nfs/dbraw/zinc/01/49/23/599014923.db2.gz IPGWPTHQISLNIY-LLVKDONJSA-N -1 3 301.394 2.507 20 0 DFADHM CC[C@H]1CCC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736401898 599012845 /nfs/dbraw/zinc/01/28/45/599012845.db2.gz ZUBLKEPMTDRARH-AAEUAGOBSA-N -1 3 314.393 2.957 20 0 DFADHM CC[C@H]1CCC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736401898 599012847 /nfs/dbraw/zinc/01/28/47/599012847.db2.gz ZUBLKEPMTDRARH-AAEUAGOBSA-N -1 3 314.393 2.957 20 0 DFADHM Fc1ccc(F)c(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737661426 599326602 /nfs/dbraw/zinc/32/66/02/599326602.db2.gz WBRVGSAFMRVTKY-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1ccc(F)c(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737661426 599326607 /nfs/dbraw/zinc/32/66/07/599326607.db2.gz WBRVGSAFMRVTKY-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM CCc1nc(CNc2cccc(-c3nnn[n-]3)c2C)cs1 ZINC000821510144 607257777 /nfs/dbraw/zinc/25/77/77/607257777.db2.gz XSGGJYIRKNNHLI-UHFFFAOYSA-N -1 3 300.391 2.806 20 0 DFADHM CCc1nc(CNc2cccc(-c3nn[n-]n3)c2C)cs1 ZINC000821510144 607257778 /nfs/dbraw/zinc/25/77/78/607257778.db2.gz XSGGJYIRKNNHLI-UHFFFAOYSA-N -1 3 300.391 2.806 20 0 DFADHM CC(C)CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735811361 599036763 /nfs/dbraw/zinc/03/67/63/599036763.db2.gz HZMHVLAWVXLEMO-UHFFFAOYSA-N -1 3 300.288 2.739 20 0 DFADHM CC(C)CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735811361 599036766 /nfs/dbraw/zinc/03/67/66/599036766.db2.gz HZMHVLAWVXLEMO-UHFFFAOYSA-N -1 3 300.288 2.739 20 0 DFADHM CC1(C)CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820596325 599038259 /nfs/dbraw/zinc/03/82/59/599038259.db2.gz NYXMCRCKHZZNII-UHFFFAOYSA-N -1 3 306.801 2.932 20 0 DFADHM CC1(C)CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820596325 599038262 /nfs/dbraw/zinc/03/82/62/599038262.db2.gz NYXMCRCKHZZNII-UHFFFAOYSA-N -1 3 306.801 2.932 20 0 DFADHM CC1(C)[C@H](Nc2ccc(F)cc2-c2nnn[n-]2)[C@H]2CCCO[C@@H]21 ZINC000820583018 599043290 /nfs/dbraw/zinc/04/32/90/599043290.db2.gz AXTIZKLVUFPANU-HONMWMINSA-N -1 3 317.368 2.621 20 0 DFADHM CC1(C)[C@H](Nc2ccc(F)cc2-c2nn[n-]n2)[C@H]2CCCO[C@@H]21 ZINC000820583018 599043293 /nfs/dbraw/zinc/04/32/93/599043293.db2.gz AXTIZKLVUFPANU-HONMWMINSA-N -1 3 317.368 2.621 20 0 DFADHM Cc1csc([C@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CC2)n1 ZINC000822408743 599044991 /nfs/dbraw/zinc/04/49/91/599044991.db2.gz HRSURZTZFPKWTN-GFCCVEGCSA-N -1 3 313.390 2.590 20 0 DFADHM Cc1csc([C@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)n1 ZINC000822408743 599044993 /nfs/dbraw/zinc/04/49/93/599044993.db2.gz HRSURZTZFPKWTN-GFCCVEGCSA-N -1 3 313.390 2.590 20 0 DFADHM Cc1nc(C)c(CNc2cccc(F)c2-c2nnn[n-]2)s1 ZINC000822431769 599045339 /nfs/dbraw/zinc/04/53/39/599045339.db2.gz IUKYORWFGCDTKL-UHFFFAOYSA-N -1 3 304.354 2.691 20 0 DFADHM Cc1nc(C)c(CNc2cccc(F)c2-c2nn[n-]n2)s1 ZINC000822431769 599045340 /nfs/dbraw/zinc/04/53/40/599045340.db2.gz IUKYORWFGCDTKL-UHFFFAOYSA-N -1 3 304.354 2.691 20 0 DFADHM CC1(C)[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC000736205580 599046202 /nfs/dbraw/zinc/04/62/02/599046202.db2.gz KCNOTWDSXKKNNC-UHTWSYAYSA-N -1 3 319.796 2.746 20 0 DFADHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC000736205580 599046209 /nfs/dbraw/zinc/04/62/09/599046209.db2.gz KCNOTWDSXKKNNC-UHTWSYAYSA-N -1 3 319.796 2.746 20 0 DFADHM CCc1cc(Sc2ccc(-c3nnn[n-]3)cc2F)ncn1 ZINC000821476931 599057380 /nfs/dbraw/zinc/05/73/80/599057380.db2.gz VGSTXSFTRFLICM-UHFFFAOYSA-N -1 3 302.338 2.509 20 0 DFADHM CCc1cc(Sc2ccc(-c3nn[n-]n3)cc2F)ncn1 ZINC000821476931 599057382 /nfs/dbraw/zinc/05/73/82/599057382.db2.gz VGSTXSFTRFLICM-UHFFFAOYSA-N -1 3 302.338 2.509 20 0 DFADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2NCC(C1CC1)C1CC1 ZINC000823796441 599086747 /nfs/dbraw/zinc/08/67/47/599086747.db2.gz AQAIIFWCNCNPPQ-UHFFFAOYSA-N -1 3 320.400 2.685 20 0 DFADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2NCC(C1CC1)C1CC1 ZINC000823796441 599086750 /nfs/dbraw/zinc/08/67/50/599086750.db2.gz AQAIIFWCNCNPPQ-UHFFFAOYSA-N -1 3 320.400 2.685 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736244956 599087158 /nfs/dbraw/zinc/08/71/58/599087158.db2.gz QFVWXEWZTYSUBT-ZJUUUORDSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736244956 599087160 /nfs/dbraw/zinc/08/71/60/599087160.db2.gz QFVWXEWZTYSUBT-ZJUUUORDSA-N -1 3 305.407 2.579 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC(C(F)(F)F)CC1 ZINC000822744284 599091480 /nfs/dbraw/zinc/09/14/80/599091480.db2.gz PUIOVACZRZBIBE-UHFFFAOYSA-N -1 3 315.274 2.785 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cn1 ZINC000821613341 599104282 /nfs/dbraw/zinc/10/42/82/599104282.db2.gz IUHSJZURRUTKLI-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cn1 ZINC000821613341 599104285 /nfs/dbraw/zinc/10/42/85/599104285.db2.gz IUHSJZURRUTKLI-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM O=C(OCc1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000738233189 599112643 /nfs/dbraw/zinc/11/26/43/599112643.db2.gz QVJBYPBCRQMTHA-UHFFFAOYSA-N -1 3 320.352 2.712 20 0 DFADHM O=C(OCc1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000738233189 599112646 /nfs/dbraw/zinc/11/26/46/599112646.db2.gz QVJBYPBCRQMTHA-UHFFFAOYSA-N -1 3 320.352 2.712 20 0 DFADHM CCc1cc(Oc2ccc(-c3nnn[n-]3)cc2Cl)nc(C)n1 ZINC000736677348 599120272 /nfs/dbraw/zinc/12/02/72/599120272.db2.gz IAPPNWVYQHLMPL-UHFFFAOYSA-N -1 3 316.752 2.973 20 0 DFADHM CCc1cc(Oc2ccc(-c3nn[n-]n3)cc2Cl)nc(C)n1 ZINC000736677348 599120273 /nfs/dbraw/zinc/12/02/73/599120273.db2.gz IAPPNWVYQHLMPL-UHFFFAOYSA-N -1 3 316.752 2.973 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1ccco1 ZINC000737410172 599123051 /nfs/dbraw/zinc/12/30/51/599123051.db2.gz PPDASOGLXQHCDT-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1ccco1 ZINC000737410172 599123052 /nfs/dbraw/zinc/12/30/52/599123052.db2.gz PPDASOGLXQHCDT-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCCCCCCO)n1 ZINC000822193052 599124019 /nfs/dbraw/zinc/12/40/19/599124019.db2.gz JSIIZOCWEBLVBT-UHFFFAOYSA-N -1 3 321.450 2.913 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCCCCCCO)n1 ZINC000822193052 599124022 /nfs/dbraw/zinc/12/40/22/599124022.db2.gz JSIIZOCWEBLVBT-UHFFFAOYSA-N -1 3 321.450 2.913 20 0 DFADHM CC(C)CN(CCOCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827030 599129701 /nfs/dbraw/zinc/12/97/01/599129701.db2.gz AURTUGJJCCMSQK-UHFFFAOYSA-N -1 3 315.421 2.756 20 0 DFADHM CCOC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736602430 599130469 /nfs/dbraw/zinc/13/04/69/599130469.db2.gz KEWAOXSINXAMDZ-UHFFFAOYSA-N -1 3 324.340 2.622 20 0 DFADHM CCCCOC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000821071771 599127091 /nfs/dbraw/zinc/12/70/91/599127091.db2.gz MEALZUZULHGYPV-SECBINFHSA-N -1 3 324.381 2.830 20 0 DFADHM CCCCOC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000821071771 599127094 /nfs/dbraw/zinc/12/70/94/599127094.db2.gz MEALZUZULHGYPV-SECBINFHSA-N -1 3 324.381 2.830 20 0 DFADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000821016565 599344671 /nfs/dbraw/zinc/34/46/71/599344671.db2.gz XOGSDIYZOCPGKC-QWRGUYRKSA-N -1 3 319.434 2.652 20 0 DFADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000821016565 599344675 /nfs/dbraw/zinc/34/46/75/599344675.db2.gz XOGSDIYZOCPGKC-QWRGUYRKSA-N -1 3 319.434 2.652 20 0 DFADHM CC[C@@H]1CCC[C@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736400853 599155640 /nfs/dbraw/zinc/15/56/40/599155640.db2.gz SSZJDUVBJUWVRD-DOMZBBRYSA-N -1 3 314.389 2.921 20 0 DFADHM CC[C@@H]1CCC[C@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736400853 599155642 /nfs/dbraw/zinc/15/56/42/599155642.db2.gz SSZJDUVBJUWVRD-DOMZBBRYSA-N -1 3 314.389 2.921 20 0 DFADHM COc1ccc(-c2nc3cnccc3s2)cc1-c1nnn[n-]1 ZINC000821731487 599156015 /nfs/dbraw/zinc/15/60/15/599156015.db2.gz DQWQBKQVWIZCCT-UHFFFAOYSA-N -1 3 310.342 2.547 20 0 DFADHM COc1ccc(-c2nc3cnccc3s2)cc1-c1nn[n-]n1 ZINC000821731487 599156018 /nfs/dbraw/zinc/15/60/18/599156018.db2.gz DQWQBKQVWIZCCT-UHFFFAOYSA-N -1 3 310.342 2.547 20 0 DFADHM CC[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736401892 599156107 /nfs/dbraw/zinc/15/61/07/599156107.db2.gz ZROZPCJZWMABHI-RISCZKNCSA-N -1 3 300.362 2.992 20 0 DFADHM CC[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736401892 599156109 /nfs/dbraw/zinc/15/61/09/599156109.db2.gz ZROZPCJZWMABHI-RISCZKNCSA-N -1 3 300.362 2.992 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820868659 599159194 /nfs/dbraw/zinc/15/91/94/599159194.db2.gz BGSVWOFPXOIWRL-OLZOCXBDSA-N -1 3 315.421 2.740 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820868659 599159196 /nfs/dbraw/zinc/15/91/96/599159196.db2.gz BGSVWOFPXOIWRL-OLZOCXBDSA-N -1 3 315.421 2.740 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820868661 599159530 /nfs/dbraw/zinc/15/95/30/599159530.db2.gz BGSVWOFPXOIWRL-QWHCGFSZSA-N -1 3 315.421 2.740 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820868661 599159533 /nfs/dbraw/zinc/15/95/33/599159533.db2.gz BGSVWOFPXOIWRL-QWHCGFSZSA-N -1 3 315.421 2.740 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820868984 599159759 /nfs/dbraw/zinc/15/97/59/599159759.db2.gz DKSPNSCBIAAOGG-DQKWEHNMSA-N -1 3 313.405 2.821 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820868984 599159761 /nfs/dbraw/zinc/15/97/61/599159761.db2.gz DKSPNSCBIAAOGG-DQKWEHNMSA-N -1 3 313.405 2.821 20 0 DFADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1ccco1 ZINC000738253345 599165608 /nfs/dbraw/zinc/16/56/08/599165608.db2.gz DICVPXPIKHRQCG-AWEZNQCLSA-N -1 3 323.356 2.827 20 0 DFADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1ccco1 ZINC000738253345 599165610 /nfs/dbraw/zinc/16/56/10/599165610.db2.gz DICVPXPIKHRQCG-AWEZNQCLSA-N -1 3 323.356 2.827 20 0 DFADHM CCCC(C)(C)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736416441 599187130 /nfs/dbraw/zinc/18/71/30/599187130.db2.gz NJAWZEKBSOXAHW-NSHDSACASA-N -1 3 316.409 2.806 20 0 DFADHM CCCC(C)(C)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736416441 599187132 /nfs/dbraw/zinc/18/71/32/599187132.db2.gz NJAWZEKBSOXAHW-NSHDSACASA-N -1 3 316.409 2.806 20 0 DFADHM C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000820742323 599208712 /nfs/dbraw/zinc/20/87/12/599208712.db2.gz JJUAFNDOPWRUKA-WBMJQRKESA-N -1 3 319.368 2.700 20 0 DFADHM C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000820742323 599208713 /nfs/dbraw/zinc/20/87/13/599208713.db2.gz JJUAFNDOPWRUKA-WBMJQRKESA-N -1 3 319.368 2.700 20 0 DFADHM CCC/C=C/C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736440008 599221149 /nfs/dbraw/zinc/22/11/49/599221149.db2.gz WXXMANDIKYMNME-BIPYJSMBSA-N -1 3 316.361 2.534 20 0 DFADHM CCC/C=C/C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736440008 599221151 /nfs/dbraw/zinc/22/11/51/599221151.db2.gz WXXMANDIKYMNME-BIPYJSMBSA-N -1 3 316.361 2.534 20 0 DFADHM CCC[C@@]1(C)CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821027637 599223248 /nfs/dbraw/zinc/22/32/48/599223248.db2.gz PNAWEAWAFFXZFY-KRWDZBQOSA-N -1 3 313.405 2.909 20 0 DFADHM CCC[C@@]1(C)CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821027637 599223251 /nfs/dbraw/zinc/22/32/51/599223251.db2.gz PNAWEAWAFFXZFY-KRWDZBQOSA-N -1 3 313.405 2.909 20 0 DFADHM CS[C@@H]1CCC[C@@H](Nc2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000737178642 599233159 /nfs/dbraw/zinc/23/31/59/599233159.db2.gz BIFZKXKZYNNVGF-VXGBXAGGSA-N -1 3 318.450 2.965 20 0 DFADHM CS[C@@H]1CCC[C@@H](Nc2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000737178642 599233161 /nfs/dbraw/zinc/23/31/61/599233161.db2.gz BIFZKXKZYNNVGF-VXGBXAGGSA-N -1 3 318.450 2.965 20 0 DFADHM CCc1ccccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821491902 607264436 /nfs/dbraw/zinc/26/44/36/607264436.db2.gz BPKWQIZKKRKGCI-LBPRGKRZSA-N -1 3 321.384 2.920 20 0 DFADHM CCc1ccccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821491902 607264437 /nfs/dbraw/zinc/26/44/37/607264437.db2.gz BPKWQIZKKRKGCI-LBPRGKRZSA-N -1 3 321.384 2.920 20 0 DFADHM C[C@H](NC(=O)Nc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380743 599235265 /nfs/dbraw/zinc/23/52/65/599235265.db2.gz ZIYYADMRESIIKR-NSHDSACASA-N -1 3 308.345 2.749 20 0 DFADHM C[C@H](NC(=O)Nc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380743 599235267 /nfs/dbraw/zinc/23/52/67/599235267.db2.gz ZIYYADMRESIIKR-NSHDSACASA-N -1 3 308.345 2.749 20 0 DFADHM Cc1c(NC(=O)c2cccc(C(C)C)n2)cccc1-c1nnn[n-]1 ZINC000822108909 607267330 /nfs/dbraw/zinc/26/73/30/607267330.db2.gz MARJBRQSEPOYJO-UHFFFAOYSA-N -1 3 322.372 2.946 20 0 DFADHM Cc1c(NC(=O)c2cccc(C(C)C)n2)cccc1-c1nn[n-]n1 ZINC000822108909 607267331 /nfs/dbraw/zinc/26/73/31/607267331.db2.gz MARJBRQSEPOYJO-UHFFFAOYSA-N -1 3 322.372 2.946 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820870487 599245167 /nfs/dbraw/zinc/24/51/67/599245167.db2.gz TTYUKOTWGXHHSH-QWRGUYRKSA-N -1 3 302.382 2.813 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820870487 599245170 /nfs/dbraw/zinc/24/51/70/599245170.db2.gz TTYUKOTWGXHHSH-QWRGUYRKSA-N -1 3 302.382 2.813 20 0 DFADHM O=C(/C=C\C1CCCCC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737796255 599246724 /nfs/dbraw/zinc/24/67/24/599246724.db2.gz NKGYTTFVRRBKBT-KTKRTIGZSA-N -1 3 311.389 2.619 20 0 DFADHM O=C(/C=C\C1CCCCC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737796255 599246726 /nfs/dbraw/zinc/24/67/26/599246726.db2.gz NKGYTTFVRRBKBT-KTKRTIGZSA-N -1 3 311.389 2.619 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@@H]2C2CC2)cccc1-c1nnn[n-]1 ZINC000822084540 607288194 /nfs/dbraw/zinc/28/81/94/607288194.db2.gz MJBDFYIVVDSLJC-CQSZACIVSA-N -1 3 312.377 2.581 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@@H]2C2CC2)cccc1-c1nn[n-]n1 ZINC000822084540 607288195 /nfs/dbraw/zinc/28/81/95/607288195.db2.gz MJBDFYIVVDSLJC-CQSZACIVSA-N -1 3 312.377 2.581 20 0 DFADHM Cc1c(NC(=O)N2CCC3(CCC3)C2)cccc1-c1nnn[n-]1 ZINC000822083896 607283966 /nfs/dbraw/zinc/28/39/66/607283966.db2.gz FGBLIPPDOCCPOY-UHFFFAOYSA-N -1 3 312.377 2.583 20 0 DFADHM Cc1c(NC(=O)N2CCC3(CCC3)C2)cccc1-c1nn[n-]n1 ZINC000822083896 607283967 /nfs/dbraw/zinc/28/39/67/607283967.db2.gz FGBLIPPDOCCPOY-UHFFFAOYSA-N -1 3 312.377 2.583 20 0 DFADHM Cc1c(NC(=O)NC2C(C)(C)C2(C)C)cccc1-c1nnn[n-]1 ZINC000822092776 607285644 /nfs/dbraw/zinc/28/56/44/607285644.db2.gz ZAYKLVGKXWPJDG-UHFFFAOYSA-N -1 3 314.393 2.731 20 0 DFADHM Cc1c(NC(=O)NC2C(C)(C)C2(C)C)cccc1-c1nn[n-]n1 ZINC000822092776 607285645 /nfs/dbraw/zinc/28/56/45/607285645.db2.gz ZAYKLVGKXWPJDG-UHFFFAOYSA-N -1 3 314.393 2.731 20 0 DFADHM Cc1ccc(F)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822241432 607295276 /nfs/dbraw/zinc/29/52/76/607295276.db2.gz VWDNORICJICRRU-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(F)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822241432 607295277 /nfs/dbraw/zinc/29/52/77/607295277.db2.gz VWDNORICJICRRU-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CCCCSCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821077436 607295509 /nfs/dbraw/zinc/29/55/09/607295509.db2.gz FZHDENOCACFTDX-UHFFFAOYSA-N -1 3 305.407 2.647 20 0 DFADHM CCCCSCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821077436 607295510 /nfs/dbraw/zinc/29/55/10/607295510.db2.gz FZHDENOCACFTDX-UHFFFAOYSA-N -1 3 305.407 2.647 20 0 DFADHM c1cnn(-c2cccc(NCc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000823756444 607311693 /nfs/dbraw/zinc/31/16/93/607311693.db2.gz ACXRPUZCZXLROL-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM c1cnn(-c2cccc(NCc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000823756444 607311694 /nfs/dbraw/zinc/31/16/94/607311694.db2.gz ACXRPUZCZXLROL-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM CCn1ncc2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000821567941 607313888 /nfs/dbraw/zinc/31/38/88/607313888.db2.gz AECAJOZLHZCMAC-UHFFFAOYSA-N -1 3 319.372 2.848 20 0 DFADHM CCn1ncc2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000821567941 607313889 /nfs/dbraw/zinc/31/38/89/607313889.db2.gz AECAJOZLHZCMAC-UHFFFAOYSA-N -1 3 319.372 2.848 20 0 DFADHM C[C@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000736251796 599269416 /nfs/dbraw/zinc/26/94/16/599269416.db2.gz IUYVLHNPQUITIH-RYUDHWBXSA-N -1 3 308.389 2.827 20 0 DFADHM C[C@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000736251796 599269418 /nfs/dbraw/zinc/26/94/18/599269418.db2.gz IUYVLHNPQUITIH-RYUDHWBXSA-N -1 3 308.389 2.827 20 0 DFADHM CCCOc1ccc(CN2CCC(C(=O)[O-])CC2)cc1OC ZINC000066114664 598119167 /nfs/dbraw/zinc/11/91/67/598119167.db2.gz OARVIIIZOARNSH-UHFFFAOYSA-N -1 3 307.390 2.781 20 0 DFADHM O=C([O-])C1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000821511312 598120021 /nfs/dbraw/zinc/12/00/21/598120021.db2.gz SDSZSZQFYNCBID-UHFFFAOYSA-N -1 3 303.387 2.502 20 0 DFADHM CN(CCC(=O)[O-])Cc1ccccc1OCc1cccnc1 ZINC000820585864 598127438 /nfs/dbraw/zinc/12/74/38/598127438.db2.gz BZTULIFFUGVUNN-UHFFFAOYSA-N -1 3 300.358 2.567 20 0 DFADHM CC1(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000824830358 607780167 /nfs/dbraw/zinc/78/01/67/607780167.db2.gz KEPDOQBHVUSERD-UHFFFAOYSA-N -1 3 300.362 2.533 20 0 DFADHM CC1(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000824830358 607780168 /nfs/dbraw/zinc/78/01/68/607780168.db2.gz KEPDOQBHVUSERD-UHFFFAOYSA-N -1 3 300.362 2.533 20 0 DFADHM CC(C)[C@@H](N[C@H](C)c1ncc(Br)s1)C(=O)[O-] ZINC000820148308 598197751 /nfs/dbraw/zinc/19/77/51/598197751.db2.gz NLQOENMGHPHMNN-HTRCEHHLSA-N -1 3 307.213 2.665 20 0 DFADHM COc1ncc(CN[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000820885781 598200090 /nfs/dbraw/zinc/20/00/90/598200090.db2.gz LGVQBNOUWMLQSE-ZDUSSCGKSA-N -1 3 306.749 2.659 20 0 DFADHM Cc1nccn1-c1ccc(CNCc2cccc(C(=O)[O-])c2)cn1 ZINC000821196311 598202888 /nfs/dbraw/zinc/20/28/88/598202888.db2.gz FRGBIFXKTNZTJX-UHFFFAOYSA-N -1 3 322.368 2.564 20 0 DFADHM O=C([O-])c1cccc(CNCc2ccc(C3OCCO3)cc2)c1 ZINC000821552357 598203827 /nfs/dbraw/zinc/20/38/27/598203827.db2.gz KCWXTJCTQNFDTE-UHFFFAOYSA-N -1 3 313.353 2.720 20 0 DFADHM COc1cccc([C@@H](CNc2cc(C(=O)[O-])ccn2)N(C)C)c1 ZINC000320705360 598218601 /nfs/dbraw/zinc/21/86/01/598218601.db2.gz SNENLNQJWDUVTA-OAHLLOKOSA-N -1 3 315.373 2.503 20 0 DFADHM CN(c1cccc(F)c1-c1nnn[n-]1)C1Cc2ccccc2C1 ZINC000736842068 598240633 /nfs/dbraw/zinc/24/06/33/598240633.db2.gz MYQSNWNWICQNSH-UHFFFAOYSA-N -1 3 309.348 2.609 20 0 DFADHM CN(c1cccc(F)c1-c1nn[n-]n1)C1Cc2ccccc2C1 ZINC000736842068 598240635 /nfs/dbraw/zinc/24/06/35/598240635.db2.gz MYQSNWNWICQNSH-UHFFFAOYSA-N -1 3 309.348 2.609 20 0 DFADHM COc1cc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccn1 ZINC000737046956 598275468 /nfs/dbraw/zinc/27/54/68/598275468.db2.gz INRLLMBBYSFJHB-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1cc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccn1 ZINC000737046956 598275470 /nfs/dbraw/zinc/27/54/70/598275470.db2.gz INRLLMBBYSFJHB-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CC(C)[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735708665 598276178 /nfs/dbraw/zinc/27/61/78/598276178.db2.gz NGJPBMYUNZEJJY-JTQLQIEISA-N -1 3 319.413 2.589 20 0 DFADHM CC(C)[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735708665 598276179 /nfs/dbraw/zinc/27/61/79/598276179.db2.gz NGJPBMYUNZEJJY-JTQLQIEISA-N -1 3 319.413 2.589 20 0 DFADHM CCO[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736608502 598276643 /nfs/dbraw/zinc/27/66/43/598276643.db2.gz LVFZGNGRINCKFH-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CCO[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736608502 598276644 /nfs/dbraw/zinc/27/66/44/598276644.db2.gz LVFZGNGRINCKFH-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735760338 598296819 /nfs/dbraw/zinc/29/68/19/598296819.db2.gz AUNFLDWJAOVNSE-LLVKDONJSA-N -1 3 319.384 2.694 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735760338 598296821 /nfs/dbraw/zinc/29/68/21/598296821.db2.gz AUNFLDWJAOVNSE-LLVKDONJSA-N -1 3 319.384 2.694 20 0 DFADHM CCCCCCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736443609 598301316 /nfs/dbraw/zinc/30/13/16/598301316.db2.gz AQUPJLSOLVYMAX-UHFFFAOYSA-N -1 3 305.357 2.592 20 0 DFADHM CCCCCCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736443609 598301317 /nfs/dbraw/zinc/30/13/17/598301317.db2.gz AQUPJLSOLVYMAX-UHFFFAOYSA-N -1 3 305.357 2.592 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1nc2ccccc2o1 ZINC000737639482 598311182 /nfs/dbraw/zinc/31/11/82/598311182.db2.gz CXXZPZQNRQKVQY-UHFFFAOYSA-N -1 3 310.292 2.759 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1nc2ccccc2o1 ZINC000737639482 598311184 /nfs/dbraw/zinc/31/11/84/598311184.db2.gz CXXZPZQNRQKVQY-UHFFFAOYSA-N -1 3 310.292 2.759 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1Cc2ccccc2C1 ZINC000738162761 598373013 /nfs/dbraw/zinc/37/30/13/598373013.db2.gz MGWGZEOVLKZEPJ-UHFFFAOYSA-N -1 3 324.319 2.554 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1Cc2ccccc2C1 ZINC000738162761 598373015 /nfs/dbraw/zinc/37/30/15/598373015.db2.gz MGWGZEOVLKZEPJ-UHFFFAOYSA-N -1 3 324.319 2.554 20 0 DFADHM CCC(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736315244 598375846 /nfs/dbraw/zinc/37/58/46/598375846.db2.gz QUYAXDQRTOBSME-UHFFFAOYSA-N -1 3 319.413 2.733 20 0 DFADHM CCC(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736315244 598375847 /nfs/dbraw/zinc/37/58/47/598375847.db2.gz QUYAXDQRTOBSME-UHFFFAOYSA-N -1 3 319.413 2.733 20 0 DFADHM CC1(C)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736210250 598385025 /nfs/dbraw/zinc/38/50/25/598385025.db2.gz BLOMYCSIHFESHJ-FPLPWBNLSA-N -1 3 311.389 2.529 20 0 DFADHM CC1(C)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736210250 598385026 /nfs/dbraw/zinc/38/50/26/598385026.db2.gz BLOMYCSIHFESHJ-FPLPWBNLSA-N -1 3 311.389 2.529 20 0 DFADHM CC1CCC(N(C)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000736243095 598386251 /nfs/dbraw/zinc/38/62/51/598386251.db2.gz VCIBULMEPFETBL-UHFFFAOYSA-N -1 3 306.801 2.930 20 0 DFADHM CC1CCC(N(C)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000736243095 598386252 /nfs/dbraw/zinc/38/62/52/598386252.db2.gz VCIBULMEPFETBL-UHFFFAOYSA-N -1 3 306.801 2.930 20 0 DFADHM Fc1ccc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737647081 598386916 /nfs/dbraw/zinc/38/69/16/598386916.db2.gz COMSBFMFQVLCHF-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM Fc1ccc(CCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737647081 598386917 /nfs/dbraw/zinc/38/69/17/598386917.db2.gz COMSBFMFQVLCHF-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM Fc1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737656350 598387343 /nfs/dbraw/zinc/38/73/43/598387343.db2.gz KROWABBXBQLCQQ-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Cc1[nH]c2ccccc2c1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737199710 598394987 /nfs/dbraw/zinc/39/49/87/598394987.db2.gz OXHINIXEBIOVTD-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1[nH]c2ccccc2c1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737199710 598394989 /nfs/dbraw/zinc/39/49/89/598394989.db2.gz OXHINIXEBIOVTD-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM CN(CCOc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000736804777 598421656 /nfs/dbraw/zinc/42/16/56/598421656.db2.gz VMEFMPMURCHWPM-UHFFFAOYSA-N -1 3 313.336 2.521 20 0 DFADHM CN(CCOc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000736804777 598421658 /nfs/dbraw/zinc/42/16/58/598421658.db2.gz VMEFMPMURCHWPM-UHFFFAOYSA-N -1 3 313.336 2.521 20 0 DFADHM COc1ccc([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737071363 598435775 /nfs/dbraw/zinc/43/57/75/598435775.db2.gz DXLHHHLYXYMABR-NSHDSACASA-N -1 3 323.356 2.618 20 0 DFADHM COc1ccc([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737071363 598435777 /nfs/dbraw/zinc/43/57/77/598435777.db2.gz DXLHHHLYXYMABR-NSHDSACASA-N -1 3 323.356 2.618 20 0 DFADHM CC(C)(C)c1cccc(OC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735652360 598436239 /nfs/dbraw/zinc/43/62/39/598436239.db2.gz HNVPKTUPBFWXMN-UHFFFAOYSA-N -1 3 323.356 2.778 20 0 DFADHM CC(C)(C)c1cccc(OC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735652360 598436240 /nfs/dbraw/zinc/43/62/40/598436240.db2.gz HNVPKTUPBFWXMN-UHFFFAOYSA-N -1 3 323.356 2.778 20 0 DFADHM CCS[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000736668162 598444260 /nfs/dbraw/zinc/44/42/60/598444260.db2.gz YFEBVPIQTVXIGX-ZDUSSCGKSA-N -1 3 319.434 2.891 20 0 DFADHM CCS[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000736668162 598444262 /nfs/dbraw/zinc/44/42/62/598444262.db2.gz YFEBVPIQTVXIGX-ZDUSSCGKSA-N -1 3 319.434 2.891 20 0 DFADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735997836 598445188 /nfs/dbraw/zinc/44/51/88/598445188.db2.gz HDTMAYITKLFWDR-ZDUSSCGKSA-N -1 3 321.384 2.742 20 0 DFADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735997836 598445190 /nfs/dbraw/zinc/44/51/90/598445190.db2.gz HDTMAYITKLFWDR-ZDUSSCGKSA-N -1 3 321.384 2.742 20 0 DFADHM CC(C)CO[C@@H](C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000735839160 598481297 /nfs/dbraw/zinc/48/12/97/598481297.db2.gz LQRJIPITEGRGAV-RYUDHWBXSA-N -1 3 318.377 2.532 20 0 DFADHM CC(C)CO[C@@H](C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000735839160 598481299 /nfs/dbraw/zinc/48/12/99/598481299.db2.gz LQRJIPITEGRGAV-RYUDHWBXSA-N -1 3 318.377 2.532 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000736151137 598490249 /nfs/dbraw/zinc/49/02/49/598490249.db2.gz KZTTYCLKSGPQPC-SKVAFPRGSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000736151137 598490251 /nfs/dbraw/zinc/49/02/51/598490251.db2.gz KZTTYCLKSGPQPC-SKVAFPRGSA-N -1 3 310.313 2.777 20 0 DFADHM Fc1cccc(OCCOc2ccccc2-c2nnn[n-]2)c1F ZINC000737666379 598514562 /nfs/dbraw/zinc/51/45/62/598514562.db2.gz XEDGRBKXLUYUGE-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Fc1cccc(OCCOc2ccccc2-c2nn[n-]n2)c1F ZINC000737666379 598514564 /nfs/dbraw/zinc/51/45/64/598514564.db2.gz XEDGRBKXLUYUGE-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000737339791 598543053 /nfs/dbraw/zinc/54/30/53/598543053.db2.gz BJEJHCSBKWYLRE-UHFFFAOYSA-N -1 3 313.386 2.509 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000737339791 598543054 /nfs/dbraw/zinc/54/30/54/598543054.db2.gz BJEJHCSBKWYLRE-UHFFFAOYSA-N -1 3 313.386 2.509 20 0 DFADHM CCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736439296 598546484 /nfs/dbraw/zinc/54/64/84/598546484.db2.gz OJEOETLNNYENFP-UHFFFAOYSA-N -1 3 311.292 2.597 20 0 DFADHM CCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736439296 598546486 /nfs/dbraw/zinc/54/64/86/598546486.db2.gz OJEOETLNNYENFP-UHFFFAOYSA-N -1 3 311.292 2.597 20 0 DFADHM COc1cccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000737133293 598548011 /nfs/dbraw/zinc/54/80/11/598548011.db2.gz ZKHYMMGIDYPNRC-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1cccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000737133293 598548012 /nfs/dbraw/zinc/54/80/12/598548012.db2.gz ZKHYMMGIDYPNRC-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM Fc1cc(OCc2cccnc2Cl)ccc1-c1nnn[n-]1 ZINC000737653842 598548146 /nfs/dbraw/zinc/54/81/46/598548146.db2.gz STXHRVLOWAVWPI-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1cc(OCc2cccnc2Cl)ccc1-c1nn[n-]n1 ZINC000737653842 598548147 /nfs/dbraw/zinc/54/81/47/598548147.db2.gz STXHRVLOWAVWPI-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1nc(C)nc(C)c1F ZINC000737473900 598551403 /nfs/dbraw/zinc/55/14/03/598551403.db2.gz MYIGACWCOJWSAJ-UHFFFAOYSA-N -1 3 300.297 2.513 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nc(C)nc(C)c1F ZINC000737473900 598551405 /nfs/dbraw/zinc/55/14/05/598551405.db2.gz MYIGACWCOJWSAJ-UHFFFAOYSA-N -1 3 300.297 2.513 20 0 DFADHM C[C@H](O)CCc1ccc(OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736143461 598552513 /nfs/dbraw/zinc/55/25/13/598552513.db2.gz JLEJRULXOXGHLB-ZDUSSCGKSA-N -1 3 324.384 2.759 20 0 DFADHM C[C@H](O)CCc1ccc(OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736143461 598552515 /nfs/dbraw/zinc/55/25/15/598552515.db2.gz JLEJRULXOXGHLB-ZDUSSCGKSA-N -1 3 324.384 2.759 20 0 DFADHM C[C@@H](O)CCc1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736144991 598552747 /nfs/dbraw/zinc/55/27/47/598552747.db2.gz SFARTVRTCFURIS-CYBMUJFWSA-N -1 3 324.384 2.759 20 0 DFADHM C[C@@H](O)CCc1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736144991 598552749 /nfs/dbraw/zinc/55/27/49/598552749.db2.gz SFARTVRTCFURIS-CYBMUJFWSA-N -1 3 324.384 2.759 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)sc1C ZINC000737237947 598589088 /nfs/dbraw/zinc/58/90/88/598589088.db2.gz FDZTWSFMHVABGV-UHFFFAOYSA-N -1 3 317.349 2.936 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)sc1C ZINC000737237947 598589090 /nfs/dbraw/zinc/58/90/90/598589090.db2.gz FDZTWSFMHVABGV-UHFFFAOYSA-N -1 3 317.349 2.936 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2ccccc2[nH]1 ZINC000738165308 598589670 /nfs/dbraw/zinc/58/96/70/598589670.db2.gz BRBHFNINYSAAAH-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2ccccc2[nH]1 ZINC000738165308 598589672 /nfs/dbraw/zinc/58/96/72/598589672.db2.gz BRBHFNINYSAAAH-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737316512 598591946 /nfs/dbraw/zinc/59/19/46/598591946.db2.gz XTNIZNLAFOBUTB-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737316512 598591948 /nfs/dbraw/zinc/59/19/48/598591948.db2.gz XTNIZNLAFOBUTB-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CCCCc1noc([C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736466542 598609589 /nfs/dbraw/zinc/60/95/89/598609589.db2.gz MSIZYNWEKZTFAC-SNVBAGLBSA-N -1 3 314.349 2.732 20 0 DFADHM O=C(NCC1CCCCC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738043607 598623681 /nfs/dbraw/zinc/62/36/81/598623681.db2.gz CYQNJRKSEWODLK-UHFFFAOYSA-N -1 3 318.356 2.708 20 0 DFADHM O=C(NCC1CCCCC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738043607 598623682 /nfs/dbraw/zinc/62/36/82/598623682.db2.gz CYQNJRKSEWODLK-UHFFFAOYSA-N -1 3 318.356 2.708 20 0 DFADHM C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736225308 598631763 /nfs/dbraw/zinc/63/17/63/598631763.db2.gz QHHLZIOCZDTTOM-NXEZZACHSA-N -1 3 318.356 2.516 20 0 DFADHM C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736225308 598631765 /nfs/dbraw/zinc/63/17/65/598631765.db2.gz QHHLZIOCZDTTOM-NXEZZACHSA-N -1 3 318.356 2.516 20 0 DFADHM CN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736749780 598632693 /nfs/dbraw/zinc/63/26/93/598632693.db2.gz RKUOAASGKJOKEW-UHFFFAOYSA-N -1 3 318.356 2.802 20 0 DFADHM CN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736749780 598632694 /nfs/dbraw/zinc/63/26/94/598632694.db2.gz RKUOAASGKJOKEW-UHFFFAOYSA-N -1 3 318.356 2.802 20 0 DFADHM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736335692 598633685 /nfs/dbraw/zinc/63/36/85/598633685.db2.gz ZNJPQHQFBSKHMM-DTWKUNHWSA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736335692 598633687 /nfs/dbraw/zinc/63/36/87/598633687.db2.gz ZNJPQHQFBSKHMM-DTWKUNHWSA-N -1 3 306.345 2.562 20 0 DFADHM C[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CC(C)(C)O1 ZINC000736290184 598633990 /nfs/dbraw/zinc/63/39/90/598633990.db2.gz PSVSOOKDHAAORQ-SECBINFHSA-N -1 3 307.785 2.524 20 0 DFADHM C[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CC(C)(C)O1 ZINC000736290184 598633991 /nfs/dbraw/zinc/63/39/91/598633991.db2.gz PSVSOOKDHAAORQ-SECBINFHSA-N -1 3 307.785 2.524 20 0 DFADHM Cc1ncc(CN(C)c2c(Cl)cccc2-c2nnn[n-]2)s1 ZINC000737492005 598634592 /nfs/dbraw/zinc/63/45/92/598634592.db2.gz PBTBIEWZBHXUQW-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ncc(CN(C)c2c(Cl)cccc2-c2nn[n-]n2)s1 ZINC000737492005 598634593 /nfs/dbraw/zinc/63/45/93/598634593.db2.gz PBTBIEWZBHXUQW-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Fc1ccc(CSc2ccc(Cl)nn2)c(-c2nnn[n-]2)c1 ZINC000737648133 598644883 /nfs/dbraw/zinc/64/48/83/598644883.db2.gz GCIMWCFGPUSNPN-UHFFFAOYSA-N -1 3 322.756 2.742 20 0 DFADHM Fc1ccc(CSc2ccc(Cl)nn2)c(-c2nn[n-]n2)c1 ZINC000737648133 598644884 /nfs/dbraw/zinc/64/48/84/598644884.db2.gz GCIMWCFGPUSNPN-UHFFFAOYSA-N -1 3 322.756 2.742 20 0 DFADHM CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736364736 598656828 /nfs/dbraw/zinc/65/68/28/598656828.db2.gz UPYVBBWFTLLWKI-ZDUSSCGKSA-N -1 3 319.434 2.510 20 0 DFADHM CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736364736 598656829 /nfs/dbraw/zinc/65/68/29/598656829.db2.gz UPYVBBWFTLLWKI-ZDUSSCGKSA-N -1 3 319.434 2.510 20 0 DFADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)[C@H](O)c1ccc(F)cc1 ZINC000736139143 598679049 /nfs/dbraw/zinc/67/90/49/598679049.db2.gz OTCWPUYIDDLCEJ-BONVTDFDSA-N -1 3 313.336 2.540 20 0 DFADHM CCc1nc([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736700726 598714045 /nfs/dbraw/zinc/71/40/45/598714045.db2.gz VQJUDODJLAQABM-SNVBAGLBSA-N -1 3 314.418 2.736 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(C)CCCC1 ZINC000737293287 598725708 /nfs/dbraw/zinc/72/57/08/598725708.db2.gz AFOZQCUEVMENLQ-UHFFFAOYSA-N -1 3 300.366 2.629 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(C)CCCC1 ZINC000737293287 598725710 /nfs/dbraw/zinc/72/57/10/598725710.db2.gz AFOZQCUEVMENLQ-UHFFFAOYSA-N -1 3 300.366 2.629 20 0 DFADHM CC(C)(C)/C=C/C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000735593288 598727070 /nfs/dbraw/zinc/72/70/70/598727070.db2.gz HVSJCIGNIMRJDK-VOTSOKGWSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)(C)/C=C/C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000735593288 598727072 /nfs/dbraw/zinc/72/70/72/598727072.db2.gz HVSJCIGNIMRJDK-VOTSOKGWSA-N -1 3 304.325 2.651 20 0 DFADHM CCN(C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736535926 598746295 /nfs/dbraw/zinc/74/62/95/598746295.db2.gz YQVQTIBRZZSOIL-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CCN(C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736535926 598746296 /nfs/dbraw/zinc/74/62/96/598746296.db2.gz YQVQTIBRZZSOIL-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM Cc1cc(N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)ncn1 ZINC000737271139 598787628 /nfs/dbraw/zinc/78/76/28/598787628.db2.gz RYICJDFFPQLOCN-UHFFFAOYSA-N -1 3 323.404 2.628 20 0 DFADHM Cc1cc(N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)ncn1 ZINC000737271139 598787629 /nfs/dbraw/zinc/78/76/29/598787629.db2.gz RYICJDFFPQLOCN-UHFFFAOYSA-N -1 3 323.404 2.628 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@H]1CCc2ccccc21 ZINC000738190233 598789377 /nfs/dbraw/zinc/78/93/77/598789377.db2.gz BLFLRWZXIADJPQ-ZDUSSCGKSA-N -1 3 305.341 2.535 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@H]1CCc2ccccc21 ZINC000738190233 598789378 /nfs/dbraw/zinc/78/93/78/598789378.db2.gz BLFLRWZXIADJPQ-ZDUSSCGKSA-N -1 3 305.341 2.535 20 0 DFADHM COc1cc(CNc2ccc(Cl)cc2-c2nnn[n-]2)ccn1 ZINC000737046400 598791691 /nfs/dbraw/zinc/79/16/91/598791691.db2.gz CMDFAHWLUYUIEH-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1cc(CNc2ccc(Cl)cc2-c2nn[n-]n2)ccn1 ZINC000737046400 598791692 /nfs/dbraw/zinc/79/16/92/598791692.db2.gz CMDFAHWLUYUIEH-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CN(CCc1ccccn1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736805503 598791999 /nfs/dbraw/zinc/79/19/99/598791999.db2.gz GSSJXMHKJLUDMS-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM CN(CCc1ccccn1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736805503 598792001 /nfs/dbraw/zinc/79/20/01/598792001.db2.gz GSSJXMHKJLUDMS-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM C[C@@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)CC(C)(C)O1 ZINC000736291296 598794331 /nfs/dbraw/zinc/79/43/31/598794331.db2.gz VEQWQMCOLDWEIY-SECBINFHSA-N -1 3 307.785 2.524 20 0 DFADHM C[C@@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)CC(C)(C)O1 ZINC000736291296 598794333 /nfs/dbraw/zinc/79/43/33/598794333.db2.gz VEQWQMCOLDWEIY-SECBINFHSA-N -1 3 307.785 2.524 20 0 DFADHM Clc1ccc(NCCc2nccs2)c(-c2nnn[n-]2)c1 ZINC000737574667 598794684 /nfs/dbraw/zinc/79/46/84/598794684.db2.gz NSQTYWHEROPJRT-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Clc1ccc(NCCc2nccs2)c(-c2nn[n-]n2)c1 ZINC000737574667 598794685 /nfs/dbraw/zinc/79/46/85/598794685.db2.gz NSQTYWHEROPJRT-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM O=C(O[C@H]1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738221616 598799806 /nfs/dbraw/zinc/79/98/06/598799806.db2.gz YEFLQJBZDQMTPO-INIZCTEOSA-N -1 3 320.352 2.581 20 0 DFADHM O=C(O[C@H]1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738221616 598799807 /nfs/dbraw/zinc/79/98/07/598799807.db2.gz YEFLQJBZDQMTPO-INIZCTEOSA-N -1 3 320.352 2.581 20 0 DFADHM CC[C@@H](OC1CCCC1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736375495 598802504 /nfs/dbraw/zinc/80/25/04/598802504.db2.gz HNZRJYGBUWKOFF-LLVKDONJSA-N -1 3 321.406 2.605 20 0 DFADHM CC[C@@H](OC1CCCC1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736375495 598802505 /nfs/dbraw/zinc/80/25/05/598802505.db2.gz HNZRJYGBUWKOFF-LLVKDONJSA-N -1 3 321.406 2.605 20 0 DFADHM CCC[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736419280 598804037 /nfs/dbraw/zinc/80/40/37/598804037.db2.gz KUKLZSUGCDGXGN-JTQLQIEISA-N -1 3 304.398 2.798 20 0 DFADHM CCC[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736419280 598804039 /nfs/dbraw/zinc/80/40/39/598804039.db2.gz KUKLZSUGCDGXGN-JTQLQIEISA-N -1 3 304.398 2.798 20 0 DFADHM Fc1cccc(NC[C@@H]2CCc3ccccc3N2)c1-c1nnn[n-]1 ZINC000737664727 598810224 /nfs/dbraw/zinc/81/02/24/598810224.db2.gz NNFHDFZKAUFIPR-LBPRGKRZSA-N -1 3 324.363 2.845 20 0 DFADHM Fc1cccc(NC[C@@H]2CCc3ccccc3N2)c1-c1nn[n-]n1 ZINC000737664727 598810226 /nfs/dbraw/zinc/81/02/26/598810226.db2.gz NNFHDFZKAUFIPR-LBPRGKRZSA-N -1 3 324.363 2.845 20 0 DFADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2[nH]ccc2c1 ZINC000737959755 598811390 /nfs/dbraw/zinc/81/13/90/598811390.db2.gz AODOZPACQMFADD-UHFFFAOYSA-N -1 3 318.340 2.529 20 0 DFADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2[nH]ccc2c1 ZINC000737959755 598811391 /nfs/dbraw/zinc/81/13/91/598811391.db2.gz AODOZPACQMFADD-UHFFFAOYSA-N -1 3 318.340 2.529 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@@H](C)C[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000737520822 598817635 /nfs/dbraw/zinc/81/76/35/598817635.db2.gz LQNKIBFKWFFCHH-KBVBSXBZSA-N -1 3 301.398 2.510 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@@H](C)C[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000737520822 598817637 /nfs/dbraw/zinc/81/76/37/598817637.db2.gz LQNKIBFKWFFCHH-KBVBSXBZSA-N -1 3 301.398 2.510 20 0 DFADHM CCc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736678106 599307196 /nfs/dbraw/zinc/30/71/96/599307196.db2.gz SBADPOMBGOMJMZ-UHFFFAOYSA-N -1 3 307.357 2.706 20 0 DFADHM CCc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736678106 599307201 /nfs/dbraw/zinc/30/72/01/599307201.db2.gz SBADPOMBGOMJMZ-UHFFFAOYSA-N -1 3 307.357 2.706 20 0 DFADHM CCN(C(=O)c1ccccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507270 599313032 /nfs/dbraw/zinc/31/30/32/599313032.db2.gz CNQAGVDBIMSQPN-UHFFFAOYSA-N -1 3 307.357 2.842 20 0 DFADHM CCN(C(=O)c1ccccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507270 599313035 /nfs/dbraw/zinc/31/30/35/599313035.db2.gz CNQAGVDBIMSQPN-UHFFFAOYSA-N -1 3 307.357 2.842 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(C)c(F)c1 ZINC000821737357 607369235 /nfs/dbraw/zinc/36/92/35/607369235.db2.gz VTFAPZQQWPWFDC-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C)c(F)c1 ZINC000821737357 607369237 /nfs/dbraw/zinc/36/92/37/607369237.db2.gz VTFAPZQQWPWFDC-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Fc1cccc(NCCOc2cccc(-c3nnn[n-]3)c2)c1F ZINC000737663056 599329218 /nfs/dbraw/zinc/32/92/18/599329218.db2.gz DVFHRHAKWBOSLK-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1cccc(NCCOc2cccc(-c3nn[n-]n3)c2)c1F ZINC000737663056 599329221 /nfs/dbraw/zinc/32/92/21/599329221.db2.gz DVFHRHAKWBOSLK-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM CCCCCCNC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000821056121 599347408 /nfs/dbraw/zinc/34/74/08/599347408.db2.gz LJDSGBWWLRLWHR-UHFFFAOYSA-N -1 3 319.434 2.655 20 0 DFADHM CCCCCCNC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000821056121 599347410 /nfs/dbraw/zinc/34/74/10/599347410.db2.gz LJDSGBWWLRLWHR-UHFFFAOYSA-N -1 3 319.434 2.655 20 0 DFADHM Brc1ccc(N2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000735368941 599361009 /nfs/dbraw/zinc/36/10/09/599361009.db2.gz QAYWYPNGGOEVAN-UHFFFAOYSA-N -1 3 308.183 2.620 20 0 DFADHM Brc1ccc(N2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000735368941 599361005 /nfs/dbraw/zinc/36/10/05/599361005.db2.gz QAYWYPNGGOEVAN-UHFFFAOYSA-N -1 3 308.183 2.620 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)c2sccc2-c2nnn[n-]2)[C@H](C)C1 ZINC000736244752 599375764 /nfs/dbraw/zinc/37/57/64/599375764.db2.gz MWMYZQUTHSZDKB-KKZNHRDASA-N -1 3 306.391 2.910 20 0 DFADHM C[C@@H](CCC(C)(C)C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735987034 599380881 /nfs/dbraw/zinc/38/08/81/599380881.db2.gz WNTZOUWNLILDAD-NSHDSACASA-N -1 3 301.394 2.811 20 0 DFADHM C[C@@H](CCC(C)(C)C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735987034 599380884 /nfs/dbraw/zinc/38/08/84/599380884.db2.gz WNTZOUWNLILDAD-NSHDSACASA-N -1 3 301.394 2.811 20 0 DFADHM C[C@H](NCc1coc(C2CC2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820438940 599393689 /nfs/dbraw/zinc/39/36/89/599393689.db2.gz ZYWZWQXLPBDMOK-JTQLQIEISA-N -1 3 310.361 2.583 20 0 DFADHM COc1ccc(C)cc1[C@@H](C)NCc1ccc(-c2nnn[n-]2)o1 ZINC000821782425 599396472 /nfs/dbraw/zinc/39/64/72/599396472.db2.gz FBHRKKXWGVENSO-LLVKDONJSA-N -1 3 313.361 2.628 20 0 DFADHM COc1ccc(C)cc1[C@@H](C)NCc1ccc(-c2nn[n-]n2)o1 ZINC000821782425 599396475 /nfs/dbraw/zinc/39/64/75/599396475.db2.gz FBHRKKXWGVENSO-LLVKDONJSA-N -1 3 313.361 2.628 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1ccco1 ZINC000821752655 607376682 /nfs/dbraw/zinc/37/66/82/607376682.db2.gz PKBQHHOMKPBVMR-UHFFFAOYSA-N -1 3 302.359 2.902 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1ccco1 ZINC000821752655 607376683 /nfs/dbraw/zinc/37/66/83/607376683.db2.gz PKBQHHOMKPBVMR-UHFFFAOYSA-N -1 3 302.359 2.902 20 0 DFADHM CC(C)(NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)cc1 ZINC000819987612 599427761 /nfs/dbraw/zinc/42/77/61/599427761.db2.gz BOJSYBSGXAFTBV-UHFFFAOYSA-N -1 3 301.325 2.624 20 0 DFADHM CCCC[C@H](COC)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736438591 599442179 /nfs/dbraw/zinc/44/21/79/599442179.db2.gz OFLTXLBRIQZJTD-SNVBAGLBSA-N -1 3 310.789 2.532 20 0 DFADHM CCCC[C@H](COC)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736438591 599442181 /nfs/dbraw/zinc/44/21/81/599442181.db2.gz OFLTXLBRIQZJTD-SNVBAGLBSA-N -1 3 310.789 2.532 20 0 DFADHM CN(Cc1ccc(F)cc1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821610681 599464935 /nfs/dbraw/zinc/46/49/35/599464935.db2.gz ABXPTHCXGLHGQD-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1ccc(F)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821610681 599464936 /nfs/dbraw/zinc/46/49/36/599464936.db2.gz ABXPTHCXGLHGQD-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM Cc1cc([C@@H]2CCCN2c2ccc(F)cc2-c2nnn[n-]2)no1 ZINC000822198778 599469607 /nfs/dbraw/zinc/46/96/07/599469607.db2.gz KDZCLJAQHQWKDV-AWEZNQCLSA-N -1 3 314.324 2.644 20 0 DFADHM Cc1cc([C@@H]2CCCN2c2ccc(F)cc2-c2nn[n-]n2)no1 ZINC000822198778 599469609 /nfs/dbraw/zinc/46/96/09/599469609.db2.gz KDZCLJAQHQWKDV-AWEZNQCLSA-N -1 3 314.324 2.644 20 0 DFADHM Cc1n[nH]cc1CCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822015759 599469995 /nfs/dbraw/zinc/46/99/95/599469995.db2.gz OELYSONVMOXMML-UHFFFAOYSA-N -1 3 317.784 2.596 20 0 DFADHM CCCCN(CC)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821060397 599479869 /nfs/dbraw/zinc/47/98/69/599479869.db2.gz DGQFEVIICRWSNE-LBPRGKRZSA-N -1 3 316.409 2.759 20 0 DFADHM CCCCN(CC)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821060397 599479872 /nfs/dbraw/zinc/47/98/72/599479872.db2.gz DGQFEVIICRWSNE-LBPRGKRZSA-N -1 3 316.409 2.759 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@H](C)C1CC1 ZINC000822336205 599493911 /nfs/dbraw/zinc/49/39/11/599493911.db2.gz OMCIRZOYYIJTGS-NSHDSACASA-N -1 3 308.389 2.603 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@H](C)C1CC1 ZINC000822336205 599493913 /nfs/dbraw/zinc/49/39/13/599493913.db2.gz OMCIRZOYYIJTGS-NSHDSACASA-N -1 3 308.389 2.603 20 0 DFADHM Cc1ccc(CCOC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737336848 599496919 /nfs/dbraw/zinc/49/69/19/599496919.db2.gz HWFVBWIIOWGOKR-UHFFFAOYSA-N -1 3 314.370 2.636 20 0 DFADHM Cc1ccccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822345926 599520395 /nfs/dbraw/zinc/52/03/95/599520395.db2.gz WVWPLYSHVZAOEQ-LBPRGKRZSA-N -1 3 307.357 2.666 20 0 DFADHM Cc1ccccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822345926 599520397 /nfs/dbraw/zinc/52/03/97/599520397.db2.gz WVWPLYSHVZAOEQ-LBPRGKRZSA-N -1 3 307.357 2.666 20 0 DFADHM C[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000820314875 599521167 /nfs/dbraw/zinc/52/11/67/599521167.db2.gz LPYMMIPAOCCTHX-QWRGUYRKSA-N -1 3 301.394 2.726 20 0 DFADHM C[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000820314875 599521168 /nfs/dbraw/zinc/52/11/68/599521168.db2.gz LPYMMIPAOCCTHX-QWRGUYRKSA-N -1 3 301.394 2.726 20 0 DFADHM Fc1ccc(NC[C@H]2CCc3ccccc3N2)c(-c2nnn[n-]2)c1 ZINC000822779555 599524165 /nfs/dbraw/zinc/52/41/65/599524165.db2.gz WUADVHQPHWYXRJ-CYBMUJFWSA-N -1 3 324.363 2.845 20 0 DFADHM Fc1ccc(NC[C@H]2CCc3ccccc3N2)c(-c2nn[n-]n2)c1 ZINC000822779555 599524167 /nfs/dbraw/zinc/52/41/67/599524167.db2.gz WUADVHQPHWYXRJ-CYBMUJFWSA-N -1 3 324.363 2.845 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737420215 599529370 /nfs/dbraw/zinc/52/93/70/599529370.db2.gz DJJINCWSLMJAID-UKRRQHHQSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737420215 599529371 /nfs/dbraw/zinc/52/93/71/599529371.db2.gz DJJINCWSLMJAID-UKRRQHHQSA-N -1 3 320.400 2.953 20 0 DFADHM CCCC(O)(CCC)CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000736435442 599530020 /nfs/dbraw/zinc/53/00/20/599530020.db2.gz LSILFGCEUIYVHV-UHFFFAOYSA-N -1 3 318.425 2.622 20 0 DFADHM CCCC(O)(CCC)CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000736435442 599530022 /nfs/dbraw/zinc/53/00/22/599530022.db2.gz LSILFGCEUIYVHV-UHFFFAOYSA-N -1 3 318.425 2.622 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCC(C)(C)C ZINC000736627771 599538852 /nfs/dbraw/zinc/53/88/52/599538852.db2.gz MXKNXOVPZPXDBQ-UHFFFAOYSA-N -1 3 318.377 2.997 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCC(C)(C)C ZINC000736627771 599538856 /nfs/dbraw/zinc/53/88/56/599538856.db2.gz MXKNXOVPZPXDBQ-UHFFFAOYSA-N -1 3 318.377 2.997 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCC(C)(C)C ZINC000737026036 599539986 /nfs/dbraw/zinc/53/99/86/599539986.db2.gz UUKKEXFMBNPESY-UHFFFAOYSA-N -1 3 304.350 2.607 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCC(C)(C)C ZINC000737026036 599539987 /nfs/dbraw/zinc/53/99/87/599539987.db2.gz UUKKEXFMBNPESY-UHFFFAOYSA-N -1 3 304.350 2.607 20 0 DFADHM C[C@@H](NC(=O)c1ccc(Cl)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397874 599545513 /nfs/dbraw/zinc/54/55/13/599545513.db2.gz VUDJOKUXGHWUQZ-MRVPVSSYSA-N -1 3 317.736 2.604 20 0 DFADHM C[C@@H](NC(=O)c1ccc(Cl)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397874 599545515 /nfs/dbraw/zinc/54/55/15/599545515.db2.gz VUDJOKUXGHWUQZ-MRVPVSSYSA-N -1 3 317.736 2.604 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820859649 599552340 /nfs/dbraw/zinc/55/23/40/599552340.db2.gz GGTCHKZKULYELC-OTYXRUKQSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820859649 599552342 /nfs/dbraw/zinc/55/23/42/599552342.db2.gz GGTCHKZKULYELC-OTYXRUKQSA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)n1cc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000820456941 599554177 /nfs/dbraw/zinc/55/41/77/599554177.db2.gz XPDHBMQPZWMFLO-JTQLQIEISA-N -1 3 315.356 2.956 20 0 DFADHM CC(C)n1cc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000820456941 599554179 /nfs/dbraw/zinc/55/41/79/599554179.db2.gz XPDHBMQPZWMFLO-JTQLQIEISA-N -1 3 315.356 2.956 20 0 DFADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC2(CCCC2)CC1 ZINC000738253709 599580331 /nfs/dbraw/zinc/58/03/31/599580331.db2.gz GRFXXDFLPWDREM-UHFFFAOYSA-N -1 3 311.389 2.663 20 0 DFADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCCC2)CC1 ZINC000738253709 599580333 /nfs/dbraw/zinc/58/03/33/599580333.db2.gz GRFXXDFLPWDREM-UHFFFAOYSA-N -1 3 311.389 2.663 20 0 DFADHM CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCC1 ZINC000736506386 599609346 /nfs/dbraw/zinc/60/93/46/599609346.db2.gz WQJCSFLMSLWQPV-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCC1 ZINC000736506386 599609348 /nfs/dbraw/zinc/60/93/48/599609348.db2.gz WQJCSFLMSLWQPV-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM COc1ccc(C(=O)OCc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000821773001 599620784 /nfs/dbraw/zinc/62/07/84/599620784.db2.gz WPCJPAOIDBGIRJ-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1ccc(C(=O)OCc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000821773001 599620785 /nfs/dbraw/zinc/62/07/85/599620785.db2.gz WPCJPAOIDBGIRJ-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690360 599623126 /nfs/dbraw/zinc/62/31/26/599623126.db2.gz KJZXAOIGWCGWLB-SMDDNHRTSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690360 599623127 /nfs/dbraw/zinc/62/31/27/599623127.db2.gz KJZXAOIGWCGWLB-SMDDNHRTSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CC(OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000820649041 599625225 /nfs/dbraw/zinc/62/52/25/599625225.db2.gz HYCJXNVEESXWCG-RYUDHWBXSA-N -1 3 314.389 2.777 20 0 DFADHM C[C@@H]1CC(OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000820649041 599625226 /nfs/dbraw/zinc/62/52/26/599625226.db2.gz HYCJXNVEESXWCG-RYUDHWBXSA-N -1 3 314.389 2.777 20 0 DFADHM C[C@H]1CC(OC(=O)c2sccc2-c2nnn[n-]2)C[C@H](C)C1 ZINC000820649635 599625375 /nfs/dbraw/zinc/62/53/75/599625375.db2.gz NJQNVERSVFVFSE-RKDXNWHRSA-N -1 3 306.391 2.910 20 0 DFADHM CCCCOCCCCOC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821072788 599626270 /nfs/dbraw/zinc/62/62/70/599626270.db2.gz VPEHFQRWOCGMTN-UHFFFAOYSA-N -1 3 318.377 2.620 20 0 DFADHM CCCCOCCCCOC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821072788 599626271 /nfs/dbraw/zinc/62/62/71/599626271.db2.gz VPEHFQRWOCGMTN-UHFFFAOYSA-N -1 3 318.377 2.620 20 0 DFADHM O=C(Oc1cccc2[nH]ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000823455049 599626769 /nfs/dbraw/zinc/62/67/69/599626769.db2.gz VZKYFVVINYCELP-UHFFFAOYSA-N -1 3 305.297 2.567 20 0 DFADHM O=C(Oc1cccc2[nH]ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000823455049 599626770 /nfs/dbraw/zinc/62/67/70/599626770.db2.gz VZKYFVVINYCELP-UHFFFAOYSA-N -1 3 305.297 2.567 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc(F)c1Cl ZINC000823387702 599630009 /nfs/dbraw/zinc/63/00/09/599630009.db2.gz VFJJLEAADMKRMO-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc(F)c1Cl ZINC000823387702 599630010 /nfs/dbraw/zinc/63/00/10/599630010.db2.gz VFJJLEAADMKRMO-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@H]2CCCS2)c1-c1nnn[n-]1 ZINC000821465782 599631300 /nfs/dbraw/zinc/63/13/00/599631300.db2.gz PAVVERPOQHZNOV-SECBINFHSA-N -1 3 323.447 2.633 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@H]2CCCS2)c1-c1nn[n-]n1 ZINC000821465782 599631301 /nfs/dbraw/zinc/63/13/01/599631301.db2.gz PAVVERPOQHZNOV-SECBINFHSA-N -1 3 323.447 2.633 20 0 DFADHM Cc1cccc(C)c1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822293792 599635006 /nfs/dbraw/zinc/63/50/06/599635006.db2.gz LTORXJQEBURQLW-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cccc(C)c1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822293792 599635007 /nfs/dbraw/zinc/63/50/07/599635007.db2.gz LTORXJQEBURQLW-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM CC(C)C[C@H](CCO)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820057323 599686300 /nfs/dbraw/zinc/68/63/00/599686300.db2.gz YJIYGSFLCNEHGG-NSHDSACASA-N -1 3 323.828 2.977 20 0 DFADHM CC(C)C[C@H](CCO)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820057323 599686301 /nfs/dbraw/zinc/68/63/01/599686301.db2.gz YJIYGSFLCNEHGG-NSHDSACASA-N -1 3 323.828 2.977 20 0 DFADHM CC(C)C[C@@H](CCO)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820057291 599686461 /nfs/dbraw/zinc/68/64/61/599686461.db2.gz XNLYDBNVUUBRMG-LLVKDONJSA-N -1 3 323.828 2.977 20 0 DFADHM CC(C)C[C@@H](CCO)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820057291 599686462 /nfs/dbraw/zinc/68/64/62/599686462.db2.gz XNLYDBNVUUBRMG-LLVKDONJSA-N -1 3 323.828 2.977 20 0 DFADHM CO[C@@]1(C)C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1(C)C ZINC000821677619 599687363 /nfs/dbraw/zinc/68/73/63/599687363.db2.gz AQHDQFUSMICHRJ-HZMBPMFUSA-N -1 3 322.800 2.531 20 0 DFADHM CO[C@@]1(C)C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1(C)C ZINC000821677619 599687364 /nfs/dbraw/zinc/68/73/64/599687364.db2.gz AQHDQFUSMICHRJ-HZMBPMFUSA-N -1 3 322.800 2.531 20 0 DFADHM CO[C@@]1(C)C[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000821677865 599688499 /nfs/dbraw/zinc/68/84/99/599688499.db2.gz FUXBGGZHGATVKJ-WFASDCNBSA-N -1 3 305.357 2.621 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OC/C(Cl)=C\Cl ZINC000826251976 607389508 /nfs/dbraw/zinc/38/95/08/607389508.db2.gz JDRBBXAVCKOGEU-WEVVVXLNSA-N -1 3 313.144 2.651 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OC/C(Cl)=C\Cl ZINC000826251976 607389509 /nfs/dbraw/zinc/38/95/09/607389509.db2.gz JDRBBXAVCKOGEU-WEVVVXLNSA-N -1 3 313.144 2.651 20 0 DFADHM CC(C)C(=O)NC[C@@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000736346954 599783782 /nfs/dbraw/zinc/78/37/82/599783782.db2.gz LGKZMEUXZWGOLG-OLZOCXBDSA-N -1 3 322.405 2.523 20 0 DFADHM C[C@@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824898452 608444817 /nfs/dbraw/zinc/44/48/17/608444817.db2.gz FLIJYHBYMFQFMO-PTEHBNRSSA-N -1 3 324.388 2.783 20 0 DFADHM CC(C)Oc1ccc(NC(=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000820160639 607401181 /nfs/dbraw/zinc/40/11/81/607401181.db2.gz OIHZRIRLZHXICN-UHFFFAOYSA-N -1 3 303.366 2.639 20 0 DFADHM CC(C)Oc1ccc(NC(=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000820160639 607401183 /nfs/dbraw/zinc/40/11/83/607401183.db2.gz OIHZRIRLZHXICN-UHFFFAOYSA-N -1 3 303.366 2.639 20 0 DFADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)oc1C ZINC000826254144 607403557 /nfs/dbraw/zinc/40/35/57/607403557.db2.gz WSYHVUNORWPQBL-UHFFFAOYSA-N -1 3 312.329 2.742 20 0 DFADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)oc1C ZINC000826254144 607403559 /nfs/dbraw/zinc/40/35/59/607403559.db2.gz WSYHVUNORWPQBL-UHFFFAOYSA-N -1 3 312.329 2.742 20 0 DFADHM CCC/C(C)=C\C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825233426 607405921 /nfs/dbraw/zinc/40/59/21/607405921.db2.gz PFJZUPKSLJSTNV-FLIBITNWSA-N -1 3 300.362 2.965 20 0 DFADHM CCC/C(C)=C\C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825233426 607405922 /nfs/dbraw/zinc/40/59/22/607405922.db2.gz PFJZUPKSLJSTNV-FLIBITNWSA-N -1 3 300.362 2.965 20 0 DFADHM CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000737358821 599997589 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Cc1ccc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826286400 607432201 /nfs/dbraw/zinc/43/22/01/607432201.db2.gz ALASWEJQLDIWGW-UHFFFAOYSA-N -1 3 321.384 2.689 20 0 DFADHM Cc1ccc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826286400 607432202 /nfs/dbraw/zinc/43/22/02/607432202.db2.gz ALASWEJQLDIWGW-UHFFFAOYSA-N -1 3 321.384 2.689 20 0 DFADHM CC[C@H](C)CN(C)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736879691 600324539 /nfs/dbraw/zinc/32/45/39/600324539.db2.gz GLNXRPDHHBYBJX-WCQYABFASA-N -1 3 306.406 2.998 20 0 DFADHM CC[C@H](C)CN(C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736879689 600324615 /nfs/dbraw/zinc/32/46/15/600324615.db2.gz GLNXRPDHHBYBJX-AAEUAGOBSA-N -1 3 306.406 2.998 20 0 DFADHM CC(C)c1ccccc1NC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000736573888 600364041 /nfs/dbraw/zinc/36/40/41/600364041.db2.gz YCZSIRHVECFGFO-STQMWFEESA-N -1 3 306.406 2.790 20 0 DFADHM CC(C)CN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000107899795 600397604 /nfs/dbraw/zinc/39/76/04/600397604.db2.gz 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607444451 /nfs/dbraw/zinc/44/44/51/607444451.db2.gz VNGJFJFMISAZKC-ZDUSSCGKSA-N -1 3 321.384 2.942 20 0 DFADHM CC(C)n1cnnc1[C@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000736532055 600557931 /nfs/dbraw/zinc/55/79/31/600557931.db2.gz MFXHQMJURUIFBP-LBPRGKRZSA-N -1 3 318.377 2.530 20 0 DFADHM CC(C)N(CCC(=O)[O-])Cn1ccc(-c2ccc(F)cc2)n1 ZINC000736468903 600609014 /nfs/dbraw/zinc/60/90/14/600609014.db2.gz ZZWGEMRZDQOKGM-UHFFFAOYSA-N -1 3 305.353 2.832 20 0 DFADHM COCCN(CCC(=O)[O-])Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000737794250 600640582 /nfs/dbraw/zinc/64/05/82/600640582.db2.gz KWMDBUQQDOSGEO-UHFFFAOYSA-N -1 3 321.417 2.738 20 0 DFADHM Cc1nc([C@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000822427239 607466791 /nfs/dbraw/zinc/46/67/91/607466791.db2.gz FWKMPAYDASLICB-QMMMGPOBSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1nc([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000822427239 607466793 /nfs/dbraw/zinc/46/67/93/607466793.db2.gz FWKMPAYDASLICB-QMMMGPOBSA-N -1 3 318.381 2.622 20 0 DFADHM 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C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1)c1ccccc1 ZINC000826055174 601206308 /nfs/dbraw/zinc/20/63/08/601206308.db2.gz WMIHCRXCEZXKBJ-SUMWQHHRSA-N -1 3 312.369 2.677 20 0 DFADHM CCCCCCOCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821055557 607499069 /nfs/dbraw/zinc/49/90/69/607499069.db2.gz CTCYENMCDPGJDU-UHFFFAOYSA-N -1 3 324.406 2.682 20 0 DFADHM CCCCCCOCCOC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821055557 607499070 /nfs/dbraw/zinc/49/90/70/607499070.db2.gz CTCYENMCDPGJDU-UHFFFAOYSA-N -1 3 324.406 2.682 20 0 DFADHM CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000829160164 601325232 /nfs/dbraw/zinc/32/52/32/601325232.db2.gz FBKXETSRMODEMZ-ZIAGYGMSSA-N -1 3 306.406 2.735 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1CCC(c2c[nH]cn2)CC1 ZINC000830369958 601326440 /nfs/dbraw/zinc/32/64/40/601326440.db2.gz WAICHVIKNCSRAP-UHFFFAOYSA-N -1 3 303.362 2.643 20 0 DFADHM COc1cc(CN(C)Cc2ccc(F)cc2C(=O)[O-])ccc1O ZINC000831990050 601414879 /nfs/dbraw/zinc/41/48/79/601414879.db2.gz WWKCHDKJSWKCAV-UHFFFAOYSA-N -1 3 319.332 2.870 20 0 DFADHM CC[C@@H](c1ccc(F)cc1)N1CCN(CCCC(=O)[O-])CC1 ZINC000829021118 601426005 /nfs/dbraw/zinc/42/60/05/601426005.db2.gz OEGXNCCMWTYUJR-INIZCTEOSA-N -1 3 308.397 2.759 20 0 DFADHM Cc1ccc(-c2nnc([C@H](C)N3C[C@H](C)[C@H](C(=O)[O-])C3)o2)cc1 ZINC000832908267 601507370 /nfs/dbraw/zinc/50/73/70/601507370.db2.gz HVWFSNCUHOPPCF-SGMGOOAPSA-N -1 3 315.373 2.759 20 0 DFADHM Cc1oc(-c2cccs2)nc1CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000223835352 601511605 /nfs/dbraw/zinc/51/16/05/601511605.db2.gz REZAFDOUHBPGLW-KOLCDFICSA-N -1 3 306.387 2.864 20 0 DFADHM Cc1ccc(-c2cnc(CN3C[C@H](C(=O)[O-])[C@H](C)C3)o2)cc1 ZINC000832907437 601531458 /nfs/dbraw/zinc/53/14/58/601531458.db2.gz WZFAZZOLDNWWCK-OCCSQVGLSA-N -1 3 300.358 2.803 20 0 DFADHM Cc1ccc(-c2noc([C@H](C)NCC(C)(C)C(=O)[O-])n2)cc1F ZINC000832907570 601645515 /nfs/dbraw/zinc/64/55/15/601645515.db2.gz CAKXTZZLZAGMRP-JTQLQIEISA-N -1 3 321.352 2.946 20 0 DFADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)NCCC(C)(C)C)c1ccccc1 ZINC000826053582 601655380 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ZINC000826208077 607532391 /nfs/dbraw/zinc/53/23/91/607532391.db2.gz RLBAGNZJMJKIEZ-UHFFFAOYSA-N -1 3 317.374 2.605 20 0 DFADHM COc1ccc(CSCc2cc(C)no2)cc1-c1nn[n-]n1 ZINC000826208077 607532393 /nfs/dbraw/zinc/53/23/93/607532393.db2.gz RLBAGNZJMJKIEZ-UHFFFAOYSA-N -1 3 317.374 2.605 20 0 DFADHM Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[C@](C)(C(=O)[O-])C2)c(C)c1 ZINC000832876024 601920658 /nfs/dbraw/zinc/92/06/58/601920658.db2.gz AZFWTGSDEOCRHR-KDOFPFPSSA-N -1 3 318.417 2.735 20 0 DFADHM Cc1cc(C)c(NC(=O)[C@H](C)N2CC[C@](C)(C(=O)[O-])C2)c(C)c1 ZINC000832876027 601920692 /nfs/dbraw/zinc/92/06/92/601920692.db2.gz AZFWTGSDEOCRHR-KSSFIOAISA-N -1 3 318.417 2.735 20 0 DFADHM Cn1cc(C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cn1 ZINC000833043698 601947820 /nfs/dbraw/zinc/94/78/20/601947820.db2.gz VNNIRTMLJAGDIT-UHFFFAOYSA-N -1 3 305.403 2.559 20 0 DFADHM COc1ccc(CSC[C@H]2CCCOC2)cc1-c1nnn[n-]1 ZINC000826207258 607535704 /nfs/dbraw/zinc/53/57/04/607535704.db2.gz HFBYNXPXGFCJOI-LBPRGKRZSA-N -1 3 320.418 2.535 20 0 DFADHM COc1ccc(CSC[C@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC000826207258 607535707 /nfs/dbraw/zinc/53/57/07/607535707.db2.gz HFBYNXPXGFCJOI-LBPRGKRZSA-N -1 3 320.418 2.535 20 0 DFADHM O=C([O-])c1ccc(CN(CCO)[C@@H]2CCc3ccccc32)s1 ZINC000833315520 601956659 /nfs/dbraw/zinc/95/66/59/601956659.db2.gz YADRKWPULDEVPV-OAHLLOKOSA-N -1 3 317.410 2.928 20 0 DFADHM C[C@@H](CCC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000824400974 607537212 /nfs/dbraw/zinc/53/72/12/607537212.db2.gz NEBHEGIQRJJXED-LBPRGKRZSA-N -1 3 322.372 2.784 20 0 DFADHM C[C@@H](CCC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000824400974 607537215 /nfs/dbraw/zinc/53/72/15/607537215.db2.gz NEBHEGIQRJJXED-LBPRGKRZSA-N -1 3 322.372 2.784 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2nccs2)n1 ZINC000826263100 607540902 /nfs/dbraw/zinc/54/09/02/607540902.db2.gz LLCLUHWEXLQNFP-UHFFFAOYSA-N -1 3 304.404 2.627 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2nccs2)n1 ZINC000826263100 607540904 /nfs/dbraw/zinc/54/09/04/607540904.db2.gz LLCLUHWEXLQNFP-UHFFFAOYSA-N -1 3 304.404 2.627 20 0 DFADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000825038487 607547640 /nfs/dbraw/zinc/54/76/40/607547640.db2.gz CSENWDWYJDDWTN-NSHDSACASA-N -1 3 319.434 2.969 20 0 DFADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000825038487 607547641 /nfs/dbraw/zinc/54/76/41/607547641.db2.gz CSENWDWYJDDWTN-NSHDSACASA-N -1 3 319.434 2.969 20 0 DFADHM COc1cc(OC)cc([C@H](NCc2ccc(C)cc2)C(=O)[O-])c1 ZINC000832058036 602164043 /nfs/dbraw/zinc/16/40/43/602164043.db2.gz ULOXEBBNMXUZKD-KRWDZBQOSA-N -1 3 315.369 2.928 20 0 DFADHM COc1cc(OC)cc([C@H](NCc2ccccc2C)C(=O)[O-])c1 ZINC000832058335 602164706 /nfs/dbraw/zinc/16/47/06/602164706.db2.gz ZHAMFGPWJWJEFN-KRWDZBQOSA-N -1 3 315.369 2.928 20 0 DFADHM CCc1csc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)n1 ZINC000825739996 607559558 /nfs/dbraw/zinc/55/95/58/607559558.db2.gz MWNJRRAFKAVQAZ-UHFFFAOYSA-N -1 3 316.390 2.506 20 0 DFADHM CCc1csc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)n1 ZINC000825739996 607559559 /nfs/dbraw/zinc/55/95/59/607559559.db2.gz 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/nfs/dbraw/zinc/58/85/89/607588589.db2.gz HCAHGHIZMPZLCU-BXKDBHETSA-N -1 3 306.391 2.613 20 0 DFADHM CC[C@@H](SC)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159007 607588591 /nfs/dbraw/zinc/58/85/91/607588591.db2.gz HCAHGHIZMPZLCU-BXKDBHETSA-N -1 3 306.391 2.613 20 0 DFADHM CN(C)Cc1ccccc1NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739615102 603238298 /nfs/dbraw/zinc/23/82/98/603238298.db2.gz MKPIAIGSQZYMCT-TZMCWYRMSA-N -1 3 319.405 2.513 20 0 DFADHM CN(C[C@@H](O)c1ccc2ccccc2c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828168550 603483342 /nfs/dbraw/zinc/48/33/42/603483342.db2.gz JPRIWGRRABRFJA-IAGOWNOFSA-N -1 3 314.385 2.557 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CN1Cc2ccccc2[C@@H]1C ZINC000826184411 607638169 /nfs/dbraw/zinc/63/81/69/607638169.db2.gz WBJGONBKJDCEOT-LBPRGKRZSA-N -1 3 321.384 2.952 20 0 DFADHM CCc1noc(C)c1CN1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000827663282 603898471 /nfs/dbraw/zinc/89/84/71/603898471.db2.gz LLFGHOUMSAZIII-INIZCTEOSA-N -1 3 321.421 2.900 20 0 DFADHM CCc1noc(C)c1CN1CCC(CN(CC)C(=O)[O-])CC1 ZINC000827663890 603906862 /nfs/dbraw/zinc/90/68/62/603906862.db2.gz SEEVEPNAYYJSKR-UHFFFAOYSA-N -1 3 309.410 2.757 20 0 DFADHM O=C([O-])NC[C@H]1CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000832573422 604067521 /nfs/dbraw/zinc/06/75/21/604067521.db2.gz OCUGDWDMVWYSEG-GFCCVEGCSA-N -1 3 302.296 2.937 20 0 DFADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830838944 604329452 /nfs/dbraw/zinc/32/94/52/604329452.db2.gz CAKLYSPVFPBYFK-DGCLKSJQSA-N -1 3 308.426 2.740 20 0 DFADHM C[C@](CNC(=O)[O-])(NCc1ccccc1OC(F)F)C1CC1 ZINC000824952327 604342563 /nfs/dbraw/zinc/34/25/63/604342563.db2.gz NJDJYVQOMYMXQU-OAHLLOKOSA-N -1 3 314.332 2.814 20 0 DFADHM C[C@H](N[C@@H](CNC(=O)[O-])C1CC1)c1ccccc1OC(F)F ZINC000825474155 604361119 /nfs/dbraw/zinc/36/11/19/604361119.db2.gz ZGFRUVFKXNCUDP-CABZTGNLSA-N -1 3 314.332 2.985 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CC(C)C)CC(C)C ZINC000826243964 607689349 /nfs/dbraw/zinc/68/93/49/607689349.db2.gz BZARNKZDBIABJF-UHFFFAOYSA-N -1 3 315.421 2.929 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CC(C)C)CC(C)C ZINC000826243964 607689351 /nfs/dbraw/zinc/68/93/51/607689351.db2.gz BZARNKZDBIABJF-UHFFFAOYSA-N -1 3 315.421 2.929 20 0 DFADHM Cc1cc([C@@H](C)N2CCC(c3ncc[nH]3)CC2)oc1C(=O)[O-] ZINC000832870149 604384148 /nfs/dbraw/zinc/38/41/48/604384148.db2.gz BQWRJFGSLURRMT-LLVKDONJSA-N -1 3 303.362 2.950 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000826245344 607692305 /nfs/dbraw/zinc/69/23/05/607692305.db2.gz VDUXHJTYFQVFPP-CQSZACIVSA-N -1 3 323.356 2.745 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000826245344 607692307 /nfs/dbraw/zinc/69/23/07/607692307.db2.gz VDUXHJTYFQVFPP-CQSZACIVSA-N -1 3 323.356 2.745 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@H]1C(C)C ZINC000826244940 607692676 /nfs/dbraw/zinc/69/26/76/607692676.db2.gz IQERVJVKKOZXLZ-HNNXBMFYSA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@H]1C(C)C ZINC000826244940 607692679 /nfs/dbraw/zinc/69/26/79/607692679.db2.gz IQERVJVKKOZXLZ-HNNXBMFYSA-N -1 3 313.405 2.826 20 0 DFADHM CC(C)(CC(=O)[O-])NCc1coc(-c2ccc(F)c(F)c2)n1 ZINC000826538236 604444270 /nfs/dbraw/zinc/44/42/70/604444270.db2.gz LSEDZSLSILUDNX-UHFFFAOYSA-N -1 3 310.300 2.963 20 0 DFADHM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C)c1 ZINC000826283328 607693664 /nfs/dbraw/zinc/69/36/64/607693664.db2.gz OSYWIELJXREEHH-GFCCVEGCSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C)c1 ZINC000826283328 607693666 /nfs/dbraw/zinc/69/36/66/607693666.db2.gz OSYWIELJXREEHH-GFCCVEGCSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1csc(C2(NCC3CCN(C(=O)[O-])CC3)CCC2)n1 ZINC000830660287 604506690 /nfs/dbraw/zinc/50/66/90/604506690.db2.gz DBLXXMORRDFAQY-UHFFFAOYSA-N -1 3 309.435 2.810 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825059888 607699271 /nfs/dbraw/zinc/69/92/71/607699271.db2.gz LWRDEPOLBNJVNQ-NSHDSACASA-N -1 3 301.394 2.683 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825059888 607699273 /nfs/dbraw/zinc/69/92/73/607699273.db2.gz LWRDEPOLBNJVNQ-NSHDSACASA-N -1 3 301.394 2.683 20 0 DFADHM C[C@H](Oc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1)C(=O)[O-] ZINC000833630294 604613604 /nfs/dbraw/zinc/61/36/04/604613604.db2.gz RKEVUXPQKVYKHD-UPJWGTAASA-N -1 3 309.431 2.864 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC1(CC(C)C)CC1 ZINC000826247501 607703386 /nfs/dbraw/zinc/70/33/86/607703386.db2.gz FUKGWSPABFHJFD-UHFFFAOYSA-N -1 3 313.405 2.731 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC1(CC(C)C)CC1 ZINC000826247501 607703387 /nfs/dbraw/zinc/70/33/87/607703387.db2.gz FUKGWSPABFHJFD-UHFFFAOYSA-N -1 3 313.405 2.731 20 0 DFADHM CN(C)Cc1cccc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000833689800 604697041 /nfs/dbraw/zinc/69/70/41/604697041.db2.gz XRSDJGKMYXMWCK-UHFFFAOYSA-N -1 3 312.369 2.628 20 0 DFADHM C[C@@H](CN(Cc1cnc(-c2ccccc2)nc1)C1CC1)C(=O)[O-] ZINC000827454780 604742644 /nfs/dbraw/zinc/74/26/44/604742644.db2.gz DKQIBWGLACTFGZ-ZDUSSCGKSA-N -1 3 311.385 2.829 20 0 DFADHM COc1ccccc1[C@H](CN[C@@H](C)c1cncs1)NC(=O)[O-] ZINC000829597654 604760436 /nfs/dbraw/zinc/76/04/36/604760436.db2.gz JRJHBMWKKRGGAX-JQWIXIFHSA-N -1 3 321.402 2.811 20 0 DFADHM O=C([O-])[C@H](O)C1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000833770796 604763101 /nfs/dbraw/zinc/76/31/01/604763101.db2.gz NXKYJBGCXPPGAY-BGTMTDRBSA-N -1 3 309.793 2.511 20 0 DFADHM CN(C)Cc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000322606805 604782941 /nfs/dbraw/zinc/78/29/41/604782941.db2.gz YHVGWEAFNLTDLW-UHFFFAOYSA-N -1 3 312.369 2.628 20 0 DFADHM C[C@H]1C[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)CN1C1CC1 ZINC000833597307 604832890 /nfs/dbraw/zinc/83/28/90/604832890.db2.gz KPNDCIXOIDCAEI-BQBZGAKWSA-N -1 3 301.799 2.532 20 0 DFADHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1OC ZINC000832226592 604993117 /nfs/dbraw/zinc/99/31/17/604993117.db2.gz PONKYUSVDQXCRI-MEDUHNTESA-N -1 3 316.357 2.575 20 0 DFADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccnc2)c2ccccc2n1 ZINC000832000347 605004313 /nfs/dbraw/zinc/00/43/13/605004313.db2.gz OAMPZYMSXNDVSF-QGZVFWFLSA-N -1 3 323.352 2.554 20 0 DFADHM c1ccc([C@@H]2CN(c3ncccc3-c3nnn[n-]3)CCS2)cc1 ZINC000826520934 607729681 /nfs/dbraw/zinc/72/96/81/607729681.db2.gz VOTHEDLATCNXQV-AWEZNQCLSA-N -1 3 324.413 2.556 20 0 DFADHM c1ccc([C@@H]2CN(c3ncccc3-c3nn[n-]n3)CCS2)cc1 ZINC000826520934 607729682 /nfs/dbraw/zinc/72/96/82/607729682.db2.gz VOTHEDLATCNXQV-AWEZNQCLSA-N -1 3 324.413 2.556 20 0 DFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000833545926 605043598 /nfs/dbraw/zinc/04/35/98/605043598.db2.gz CFSHPDOZSKPUOY-WCQYABFASA-N -1 3 302.330 2.587 20 0 DFADHM CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000833640157 605071435 /nfs/dbraw/zinc/07/14/35/605071435.db2.gz UUAVZCWAVQOKSE-FABXCBLPSA-N -1 3 320.433 2.570 20 0 DFADHM C/C(=C\CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC000833382047 605225753 /nfs/dbraw/zinc/22/57/53/605225753.db2.gz GGJNMLYBXBDRNJ-LLMHMKPQSA-N -1 3 317.311 2.570 20 0 DFADHM C[C@@]1(C(=O)[O-])CCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000833554245 605246668 /nfs/dbraw/zinc/24/66/68/605246668.db2.gz OVYQWGIWTCMZHF-OAHLLOKOSA-N -1 3 305.403 2.570 20 0 DFADHM CC(C)[C@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)CCS1 ZINC000833470920 605298534 /nfs/dbraw/zinc/29/85/34/605298534.db2.gz FUBMFHHYCCFWBK-OAHLLOKOSA-N -1 3 309.431 2.723 20 0 DFADHM CCc1cnccc1[C@@H](C)NCc1ccc(OCC(=O)[O-])cc1 ZINC000833673316 605308544 /nfs/dbraw/zinc/30/85/44/605308544.db2.gz IIQPBWCHASBZOK-CYBMUJFWSA-N -1 3 314.385 2.958 20 0 DFADHM O=C([O-])Nc1cccc(CN[C@]2(CO)CCc3ccccc32)c1 ZINC000834269721 605331540 /nfs/dbraw/zinc/33/15/40/605331540.db2.gz OKJDBGBXGKPOFI-SFHVURJKSA-N -1 3 312.369 2.700 20 0 DFADHM C[C@@H](c1nc2ccccc2o1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833828023 605425009 /nfs/dbraw/zinc/42/50/09/605425009.db2.gz CSNYWJXENVGQOV-WOPDTQHZSA-N -1 3 303.362 2.867 20 0 DFADHM COc1ccc2c(c1)nccc2N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000829515060 605487162 /nfs/dbraw/zinc/48/71/62/605487162.db2.gz CITGSJLYTBAKIN-NEPJUHHUSA-N -1 3 315.373 2.868 20 0 DFADHM O=C([O-])NC[C@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000834220990 605555724 /nfs/dbraw/zinc/55/57/24/605555724.db2.gz QSWQTWWBTSZSKZ-LLVKDONJSA-N -1 3 320.418 2.618 20 0 DFADHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C[C@@H](O)c1ccccc1F ZINC000832234999 605942696 /nfs/dbraw/zinc/94/26/96/605942696.db2.gz SEAYBVSAHQOHNU-XQERAMJGSA-N -1 3 322.380 2.512 20 0 DFADHM CC(C)C[C@H](CNC(=O)[O-])N[C@@H](C)c1nc2ccccc2n1C ZINC000833796631 605943302 /nfs/dbraw/zinc/94/33/02/605943302.db2.gz YYWSENQDDRBKOW-QWHCGFSZSA-N -1 3 318.421 2.906 20 0 DFADHM CN(Cc1nccs1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821618030 606044387 /nfs/dbraw/zinc/04/43/87/606044387.db2.gz MYABNPJTVRYIOM-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CN(Cc1nccs1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821618030 606044393 /nfs/dbraw/zinc/04/43/93/606044393.db2.gz MYABNPJTVRYIOM-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM c1ccc(CC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000823780968 606053134 /nfs/dbraw/zinc/05/31/34/606053134.db2.gz XRPVJOSSNGIREJ-OAHLLOKOSA-N -1 3 320.400 2.863 20 0 DFADHM c1ccc(CC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000823780968 606053140 /nfs/dbraw/zinc/05/31/40/606053140.db2.gz XRPVJOSSNGIREJ-OAHLLOKOSA-N -1 3 320.400 2.863 20 0 DFADHM Cc1cccc(C(C)(C)CNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822288963 606063841 /nfs/dbraw/zinc/06/38/41/606063841.db2.gz ODHXCMOFKQWEFS-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1cccc(C(C)(C)CNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822288963 606063847 /nfs/dbraw/zinc/06/38/47/606063847.db2.gz ODHXCMOFKQWEFS-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Fc1cccc(Cl)c1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000822786091 606064319 /nfs/dbraw/zinc/06/43/19/606064319.db2.gz CYIQPPBGBHERQN-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1cccc(Cl)c1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000822786091 606064323 /nfs/dbraw/zinc/06/43/23/606064323.db2.gz CYIQPPBGBHERQN-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(C2(CNc3ccc(-c4nnn[n-]4)nc3)CCC2)cc1 ZINC000822765911 606064378 /nfs/dbraw/zinc/06/43/78/606064378.db2.gz ARPKQXQOEWZBGQ-UHFFFAOYSA-N -1 3 324.363 2.935 20 0 DFADHM Fc1ccc(C2(CNc3ccc(-c4nn[n-]n4)nc3)CCC2)cc1 ZINC000822765911 606064384 /nfs/dbraw/zinc/06/43/84/606064384.db2.gz ARPKQXQOEWZBGQ-UHFFFAOYSA-N -1 3 324.363 2.935 20 0 DFADHM c1ccc(C[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000823779395 606081427 /nfs/dbraw/zinc/08/14/27/606081427.db2.gz BZSGIFUVRDVZDP-HNNXBMFYSA-N -1 3 320.400 2.721 20 0 DFADHM c1ccc(C[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000823779395 606081432 /nfs/dbraw/zinc/08/14/32/606081432.db2.gz BZSGIFUVRDVZDP-HNNXBMFYSA-N -1 3 320.400 2.721 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1c1ccccc1 ZINC000820767131 606091449 /nfs/dbraw/zinc/09/14/49/606091449.db2.gz GKZCXNUGYDKBCE-BBRMVZONSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1c1ccccc1 ZINC000820767131 606091453 /nfs/dbraw/zinc/09/14/53/606091453.db2.gz GKZCXNUGYDKBCE-BBRMVZONSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)Cc1cccs1 ZINC000820276196 606091686 /nfs/dbraw/zinc/09/16/86/606091686.db2.gz UKEIEAXZZUXWHJ-SNVBAGLBSA-N -1 3 300.391 2.614 20 0 DFADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)Cc1cccs1 ZINC000820276196 606091694 /nfs/dbraw/zinc/09/16/94/606091694.db2.gz UKEIEAXZZUXWHJ-SNVBAGLBSA-N -1 3 300.391 2.614 20 0 DFADHM C[C@@H]1c2ccccc2CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820827753 606115141 /nfs/dbraw/zinc/11/51/41/606115141.db2.gz WUJVMFWVRDVJBT-LLVKDONJSA-N -1 3 320.356 2.975 20 0 DFADHM C[C@@H]1c2ccccc2CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820827753 606115143 /nfs/dbraw/zinc/11/51/43/606115143.db2.gz WUJVMFWVRDVJBT-LLVKDONJSA-N -1 3 320.356 2.975 20 0 DFADHM OCC[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000823717415 606125710 /nfs/dbraw/zinc/12/57/10/606125710.db2.gz GFVLDEZUGNDWJD-CQSZACIVSA-N -1 3 319.384 2.749 20 0 DFADHM OCC[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000823717415 606125712 /nfs/dbraw/zinc/12/57/12/606125712.db2.gz 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ZINC000821175600 606179581 /nfs/dbraw/zinc/17/95/81/606179581.db2.gz PMRCHMUWNQRZFS-NSHDSACASA-N -1 3 319.434 2.529 20 0 DFADHM CCN(CC)C(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821175600 606179583 /nfs/dbraw/zinc/17/95/83/606179583.db2.gz PMRCHMUWNQRZFS-NSHDSACASA-N -1 3 319.434 2.529 20 0 DFADHM Cc1ncsc1CCOc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000822130237 606207460 /nfs/dbraw/zinc/20/74/60/606207460.db2.gz RMXYUCMAFKERRB-UHFFFAOYSA-N -1 3 315.402 2.870 20 0 DFADHM Cc1ccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000822236279 606218563 /nfs/dbraw/zinc/21/85/63/606218563.db2.gz RYEDQHJANOUVRE-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1ccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000822236279 606218564 /nfs/dbraw/zinc/21/85/64/606218564.db2.gz RYEDQHJANOUVRE-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM CC(C)c1nsc(NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000820211097 606222902 /nfs/dbraw/zinc/22/29/02/606222902.db2.gz CUIMANINCGMHHL-UHFFFAOYSA-N -1 3 319.369 2.593 20 0 DFADHM CC(C)c1nsc(NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000820211097 606222904 /nfs/dbraw/zinc/22/29/04/606222904.db2.gz CUIMANINCGMHHL-UHFFFAOYSA-N -1 3 319.369 2.593 20 0 DFADHM CC(C)C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC000820056259 606245716 /nfs/dbraw/zinc/24/57/16/606245716.db2.gz NYLXJFQHEVGXGM-CQSZACIVSA-N -1 3 324.388 2.712 20 0 DFADHM CC(C)C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC000820056259 606245718 /nfs/dbraw/zinc/24/57/18/606245718.db2.gz NYLXJFQHEVGXGM-CQSZACIVSA-N -1 3 324.388 2.712 20 0 DFADHM CC(C)c1ccc(CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000820192280 606246074 /nfs/dbraw/zinc/24/60/74/606246074.db2.gz HZPMPYHBCBOFHD-UHFFFAOYSA-N -1 3 324.388 2.590 20 0 DFADHM CC(C)c1ccc(CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000820192280 606246075 /nfs/dbraw/zinc/24/60/75/606246075.db2.gz HZPMPYHBCBOFHD-UHFFFAOYSA-N -1 3 324.388 2.590 20 0 DFADHM CCCCC1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000821042620 606262346 /nfs/dbraw/zinc/26/23/46/606262346.db2.gz 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CC1(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCCCC1 ZINC000820623282 606345530 /nfs/dbraw/zinc/34/55/30/606345530.db2.gz KSDHMBBRRJEMTA-UHFFFAOYSA-N -1 3 318.356 2.850 20 0 DFADHM CC1(NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCCCC1 ZINC000820623282 606345531 /nfs/dbraw/zinc/34/55/31/606345531.db2.gz KSDHMBBRRJEMTA-UHFFFAOYSA-N -1 3 318.356 2.850 20 0 DFADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(C)C ZINC000820919310 606346914 /nfs/dbraw/zinc/34/69/14/606346914.db2.gz BJMZPTIHQJXAOD-LLVKDONJSA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(C)C ZINC000820919310 606346916 /nfs/dbraw/zinc/34/69/16/606346916.db2.gz BJMZPTIHQJXAOD-LLVKDONJSA-N -1 3 306.345 2.562 20 0 DFADHM CC(C)(C)CCCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819908192 606352170 /nfs/dbraw/zinc/35/21/70/606352170.db2.gz XPTLYTDLUQDIBM-UHFFFAOYSA-N -1 3 320.372 2.954 20 0 DFADHM CC(C)(C)CCCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819908192 606352172 /nfs/dbraw/zinc/35/21/72/606352172.db2.gz XPTLYTDLUQDIBM-UHFFFAOYSA-N -1 3 320.372 2.954 20 0 DFADHM CN(CC1CCCC1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821596691 606352551 /nfs/dbraw/zinc/35/25/51/606352551.db2.gz RNMRPJCPUXBEJN-UHFFFAOYSA-N -1 3 318.356 2.660 20 0 DFADHM CN(CC1CCCC1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821596691 606352552 /nfs/dbraw/zinc/35/25/52/606352552.db2.gz RNMRPJCPUXBEJN-UHFFFAOYSA-N -1 3 318.356 2.660 20 0 DFADHM CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820861418 606353972 /nfs/dbraw/zinc/35/39/72/606353972.db2.gz MRTQCYDYLAFRNO-IUCAKERBSA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820861418 606353974 /nfs/dbraw/zinc/35/39/74/606353974.db2.gz MRTQCYDYLAFRNO-IUCAKERBSA-N -1 3 306.345 2.562 20 0 DFADHM COc1ccccc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821882921 606355409 /nfs/dbraw/zinc/35/54/09/606355409.db2.gz NNOVDZLIBHMKJG-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM COc1ccccc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821882921 606355410 /nfs/dbraw/zinc/35/54/10/606355410.db2.gz NNOVDZLIBHMKJG-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM CS/C=C/C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821956529 606361482 /nfs/dbraw/zinc/36/14/82/606361482.db2.gz QTKZSYVOQRBYBM-CMDGGOBGSA-N -1 3 317.418 2.732 20 0 DFADHM CS/C=C/C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821956529 606361484 /nfs/dbraw/zinc/36/14/84/606361484.db2.gz QTKZSYVOQRBYBM-CMDGGOBGSA-N -1 3 317.418 2.732 20 0 DFADHM CCS[C@@H]1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC000821453868 606400478 /nfs/dbraw/zinc/40/04/78/606400478.db2.gz BPPNXJZFJSYAOC-GHMZBOCLSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@@H]1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC000821453868 606400480 /nfs/dbraw/zinc/40/04/80/606400480.db2.gz BPPNXJZFJSYAOC-GHMZBOCLSA-N -1 3 304.423 2.738 20 0 DFADHM CCCCO[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1(C)C ZINC000821071490 606402889 /nfs/dbraw/zinc/40/28/89/606402889.db2.gz GDGBDUFJCKOMSF-QWHCGFSZSA-N -1 3 316.409 2.657 20 0 DFADHM CCCCO[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1(C)C ZINC000821071490 606402890 /nfs/dbraw/zinc/40/28/90/606402890.db2.gz GDGBDUFJCKOMSF-QWHCGFSZSA-N -1 3 316.409 2.657 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCCCc1ccccc1 ZINC000821766531 606404627 /nfs/dbraw/zinc/40/46/27/606404627.db2.gz YEDVHGNMWUGBPJ-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCCCc1ccccc1 ZINC000821766531 606404629 /nfs/dbraw/zinc/40/46/29/606404629.db2.gz YEDVHGNMWUGBPJ-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM Cc1nc2cc(NCc3ccc(-c4nnn[n-]4)s3)ccc2o1 ZINC000822458018 606411556 /nfs/dbraw/zinc/41/15/56/606411556.db2.gz BTGBBVMCGNTMGM-UHFFFAOYSA-N -1 3 312.358 2.990 20 0 DFADHM CC=CC=CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820832753 606413707 /nfs/dbraw/zinc/41/37/07/606413707.db2.gz NJJWYYMBQNTWHR-VNKDHWASSA-N -1 3 303.753 2.615 20 0 DFADHM CC=CC=CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820832753 606413712 /nfs/dbraw/zinc/41/37/12/606413712.db2.gz NJJWYYMBQNTWHR-VNKDHWASSA-N -1 3 303.753 2.615 20 0 DFADHM Fc1ccc(F)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822775303 606440692 /nfs/dbraw/zinc/44/06/92/606440692.db2.gz UYUWIYHQYGNNFU-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(F)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822775303 606440694 /nfs/dbraw/zinc/44/06/94/606440694.db2.gz UYUWIYHQYGNNFU-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CC(C)(C)c1nccc(NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000819971018 606451440 /nfs/dbraw/zinc/45/14/40/606451440.db2.gz AQZZLLDOAZZZAU-UHFFFAOYSA-N -1 3 309.377 2.566 20 0 DFADHM CC(C)(C)c1nccc(NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000819971018 606451443 /nfs/dbraw/zinc/45/14/43/606451443.db2.gz AQZZLLDOAZZZAU-UHFFFAOYSA-N -1 3 309.377 2.566 20 0 DFADHM CC(C)(C)SCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819950837 606466116 /nfs/dbraw/zinc/46/61/16/606466116.db2.gz NNDKNDADZNAEAJ-UHFFFAOYSA-N -1 3 312.420 2.617 20 0 DFADHM CC(C)(C)SCCOC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819950837 606466119 /nfs/dbraw/zinc/46/61/19/606466119.db2.gz NNDKNDADZNAEAJ-UHFFFAOYSA-N -1 3 312.420 2.617 20 0 DFADHM C[C@@H]1CC(OC(=O)c2cc(-c3nnn[n-]3)cs2)C[C@@H](C)C1 ZINC000820649096 606466861 /nfs/dbraw/zinc/46/68/61/606466861.db2.gz IMFMXVZYYPWSCY-IUCAKERBSA-N -1 3 306.391 2.910 20 0 DFADHM C[C@@H]1CC(OC(=O)c2cc(-c3nn[n-]n3)cs2)C[C@@H](C)C1 ZINC000820649096 606466862 /nfs/dbraw/zinc/46/68/62/606466862.db2.gz IMFMXVZYYPWSCY-IUCAKERBSA-N -1 3 306.391 2.910 20 0 DFADHM C[C@H]1CO[C@@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)cc1 ZINC000820804493 606474886 /nfs/dbraw/zinc/47/48/86/606474886.db2.gz TURHZNLMYXHXDU-SUMWQHHRSA-N -1 3 321.384 2.833 20 0 DFADHM c1ccc(C[C@H]2CCCCN2c2ncccc2-c2nnn[n-]2)cc1 ZINC000823780362 606476775 /nfs/dbraw/zinc/47/67/75/606476775.db2.gz RRUVXYZXZZHOCX-OAHLLOKOSA-N -1 3 320.400 2.863 20 0 DFADHM c1ccc(C[C@H]2CCCCN2c2ncccc2-c2nn[n-]n2)cc1 ZINC000823780362 606476776 /nfs/dbraw/zinc/47/67/76/606476776.db2.gz RRUVXYZXZZHOCX-OAHLLOKOSA-N -1 3 320.400 2.863 20 0 DFADHM c1ccc(C[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823779743 606476797 /nfs/dbraw/zinc/47/67/97/606476797.db2.gz ICJGHGJUFLLPGF-MRXNPFEDSA-N -1 3 320.400 2.863 20 0 DFADHM c1ccc(C[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823779743 606476799 /nfs/dbraw/zinc/47/67/99/606476799.db2.gz ICJGHGJUFLLPGF-MRXNPFEDSA-N -1 3 320.400 2.863 20 0 DFADHM O=C(NCCC1=CCCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823183156 606477381 /nfs/dbraw/zinc/47/73/81/606477381.db2.gz SBYLJIHTHJHKTR-UHFFFAOYSA-N -1 3 303.391 2.549 20 0 DFADHM O=C(NCCC1=CCCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823183156 606477383 /nfs/dbraw/zinc/47/73/83/606477383.db2.gz SBYLJIHTHJHKTR-UHFFFAOYSA-N -1 3 303.391 2.549 20 0 DFADHM CCO[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1(CC)CC ZINC000821357261 606477638 /nfs/dbraw/zinc/47/76/38/606477638.db2.gz BPHFTFYXKRUVJG-STQMWFEESA-N -1 3 316.409 2.657 20 0 DFADHM CCO[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1(CC)CC ZINC000821357261 606477640 /nfs/dbraw/zinc/47/76/40/606477640.db2.gz BPHFTFYXKRUVJG-STQMWFEESA-N -1 3 316.409 2.657 20 0 DFADHM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)C1CCCCCC1 ZINC000821573395 606485336 /nfs/dbraw/zinc/48/53/36/606485336.db2.gz OSXPJZMQYBDBNK-UHFFFAOYSA-N -1 3 305.407 2.723 20 0 DFADHM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CCCCCC1 ZINC000821573395 606485335 /nfs/dbraw/zinc/48/53/35/606485335.db2.gz OSXPJZMQYBDBNK-UHFFFAOYSA-N -1 3 305.407 2.723 20 0 DFADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@H]1CCCC[C@@H]1C ZINC000821154422 606505952 /nfs/dbraw/zinc/50/59/52/606505952.db2.gz NLZGEKNIRMBPKC-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@H]1CCCC[C@@H]1C ZINC000821154422 606505954 /nfs/dbraw/zinc/50/59/54/606505954.db2.gz NLZGEKNIRMBPKC-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820859419 606513574 /nfs/dbraw/zinc/51/35/74/606513574.db2.gz DTHJCFFYMRTEDX-PWSUYJOCSA-N -1 3 319.434 2.969 20 0 DFADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820859419 606513575 /nfs/dbraw/zinc/51/35/75/606513575.db2.gz DTHJCFFYMRTEDX-PWSUYJOCSA-N -1 3 319.434 2.969 20 0 DFADHM CCC1(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820965946 606572979 /nfs/dbraw/zinc/57/29/79/606572979.db2.gz AXRVNHUSTMDLGQ-LLVKDONJSA-N -1 3 314.393 2.560 20 0 DFADHM CCC1(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820965946 606572981 /nfs/dbraw/zinc/57/29/81/606572981.db2.gz AXRVNHUSTMDLGQ-LLVKDONJSA-N -1 3 314.393 2.560 20 0 DFADHM CCCCc1ccc(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821077666 606579626 /nfs/dbraw/zinc/57/96/26/606579626.db2.gz PLKYWESSRARFRN-UHFFFAOYSA-N -1 3 324.388 2.814 20 0 DFADHM CCCCc1ccc(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821077666 606579627 /nfs/dbraw/zinc/57/96/27/606579627.db2.gz PLKYWESSRARFRN-UHFFFAOYSA-N -1 3 324.388 2.814 20 0 DFADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000821994748 606594119 /nfs/dbraw/zinc/59/41/19/606594119.db2.gz LFSORZREFZMOCA-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000821994748 606594120 /nfs/dbraw/zinc/59/41/20/606594120.db2.gz LFSORZREFZMOCA-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM CC1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CCOCC1 ZINC000820623564 606608870 /nfs/dbraw/zinc/60/88/70/606608870.db2.gz UXMQKZLARMABFG-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM CC1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CCOCC1 ZINC000820623564 606608871 /nfs/dbraw/zinc/60/88/71/606608871.db2.gz UXMQKZLARMABFG-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820674205 606619363 /nfs/dbraw/zinc/61/93/63/606619363.db2.gz BVYFJYKPIWDGQF-YGYTWAPGSA-N -1 3 311.389 2.572 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820674205 606619364 /nfs/dbraw/zinc/61/93/64/606619364.db2.gz BVYFJYKPIWDGQF-YGYTWAPGSA-N -1 3 311.389 2.572 20 0 DFADHM c1cc(-c2noc(Cc3cccc(-c4nnn[n-]4)c3)n2)cs1 ZINC000823751667 606620143 /nfs/dbraw/zinc/62/01/43/606620143.db2.gz PCEFCDBWVJSQGH-UHFFFAOYSA-N -1 3 310.342 2.569 20 0 DFADHM c1cc(-c2noc(Cc3cccc(-c4nn[n-]n4)c3)n2)cs1 ZINC000823751667 606620146 /nfs/dbraw/zinc/62/01/46/606620146.db2.gz PCEFCDBWVJSQGH-UHFFFAOYSA-N -1 3 310.342 2.569 20 0 DFADHM CCCC[C@H](CCC)CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000821041009 606626242 /nfs/dbraw/zinc/62/62/42/606626242.db2.gz XDYURIWZCFBLPV-LBPRGKRZSA-N -1 3 316.409 2.598 20 0 DFADHM CCCC[C@H](CCC)CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000821041009 606626244 /nfs/dbraw/zinc/62/62/44/606626244.db2.gz XDYURIWZCFBLPV-LBPRGKRZSA-N -1 3 316.409 2.598 20 0 DFADHM CCOC(=O)[C@@H](C)Sc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821314994 606628972 /nfs/dbraw/zinc/62/89/72/606628972.db2.gz OMVRVXUHRXWUJH-SSDOTTSWSA-N -1 3 312.782 2.564 20 0 DFADHM CCOC(=O)[C@@H](C)Sc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821314994 606628974 /nfs/dbraw/zinc/62/89/74/606628974.db2.gz OMVRVXUHRXWUJH-SSDOTTSWSA-N -1 3 312.782 2.564 20 0 DFADHM Cc1cc(NC(=O)c2sccc2-c2nnn[n-]2)cnc1Cl ZINC000822209645 606640426 /nfs/dbraw/zinc/64/04/26/606640426.db2.gz QPCMYTUMTSNPDP-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)cnc1Cl ZINC000822209645 606640427 /nfs/dbraw/zinc/64/04/27/606640427.db2.gz QPCMYTUMTSNPDP-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1c(F)cccc1F ZINC000822761911 606656686 /nfs/dbraw/zinc/65/66/86/606656686.db2.gz VTRIRXWWLOXKFI-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1c(F)cccc1F ZINC000822761911 606656687 /nfs/dbraw/zinc/65/66/87/606656687.db2.gz VTRIRXWWLOXKFI-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@H]2CCC[C@@H]21 ZINC000823303568 606660878 /nfs/dbraw/zinc/66/08/78/606660878.db2.gz NCUVENRSKMNGFJ-PELKAZGASA-N -1 3 318.768 2.536 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@H]2CCC[C@@H]21 ZINC000823303568 606660879 /nfs/dbraw/zinc/66/08/79/606660879.db2.gz NCUVENRSKMNGFJ-PELKAZGASA-N -1 3 318.768 2.536 20 0 DFADHM C[C@H]1CCC[C@H](OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000820699415 606663602 /nfs/dbraw/zinc/66/36/02/606663602.db2.gz ZTNVSTIZMXFBRH-WPRPVWTQSA-N -1 3 322.315 2.880 20 0 DFADHM C[C@H]1CCC[C@H](OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000820699415 606663603 /nfs/dbraw/zinc/66/36/03/606663603.db2.gz ZTNVSTIZMXFBRH-WPRPVWTQSA-N -1 3 322.315 2.880 20 0 DFADHM CC(C)C[C@@H](C)OCCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820057135 606664049 /nfs/dbraw/zinc/66/40/49/606664049.db2.gz XBVNEWZOUANBSZ-SNVBAGLBSA-N -1 3 323.422 2.708 20 0 DFADHM CC(C)C[C@@H](C)OCCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820057135 606664050 /nfs/dbraw/zinc/66/40/50/606664050.db2.gz XBVNEWZOUANBSZ-SNVBAGLBSA-N -1 3 323.422 2.708 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820870556 606682569 /nfs/dbraw/zinc/68/25/69/606682569.db2.gz VCZLIYUNYUKXHH-RKDXNWHRSA-N -1 3 323.347 2.699 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820870556 606682570 /nfs/dbraw/zinc/68/25/70/606682570.db2.gz VCZLIYUNYUKXHH-RKDXNWHRSA-N -1 3 323.347 2.699 20 0 DFADHM Cc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822238318 606686967 /nfs/dbraw/zinc/68/69/67/606686967.db2.gz BVCIKTSSAMSPRF-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822238318 606686968 /nfs/dbraw/zinc/68/69/68/606686968.db2.gz BVCIKTSSAMSPRF-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM CCC1(CC)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820956902 606695512 /nfs/dbraw/zinc/69/55/12/606695512.db2.gz KZHJRQAOWAJODX-UHFFFAOYSA-N -1 3 314.393 2.911 20 0 DFADHM CCC1(CC)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820956902 606695513 /nfs/dbraw/zinc/69/55/13/606695513.db2.gz KZHJRQAOWAJODX-UHFFFAOYSA-N -1 3 314.393 2.911 20 0 DFADHM Cc1csc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)n1 ZINC000822414784 606707741 /nfs/dbraw/zinc/70/77/41/606707741.db2.gz UKSWHPAUFFOCLO-UHFFFAOYSA-N -1 3 323.385 2.543 20 0 DFADHM Cc1csc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)n1 ZINC000822414784 606707742 /nfs/dbraw/zinc/70/77/42/606707742.db2.gz UKSWHPAUFFOCLO-UHFFFAOYSA-N -1 3 323.385 2.543 20 0 DFADHM Cc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000822248810 606718922 /nfs/dbraw/zinc/71/89/22/606718922.db2.gz OTQWRMLRNHTOQK-UHFFFAOYSA-N -1 3 309.333 2.523 20 0 DFADHM Cc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000822248810 606718924 /nfs/dbraw/zinc/71/89/24/606718924.db2.gz OTQWRMLRNHTOQK-UHFFFAOYSA-N -1 3 309.333 2.523 20 0 DFADHM COCCC1(CNc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000821687277 606720992 /nfs/dbraw/zinc/72/09/92/606720992.db2.gz WVQITUDMHFWXSM-UHFFFAOYSA-N -1 3 301.394 2.876 20 0 DFADHM COCCC1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC000821687104 606721109 /nfs/dbraw/zinc/72/11/09/606721109.db2.gz ONIAVHCZRAVWMD-UHFFFAOYSA-N -1 3 322.800 2.534 20 0 DFADHM COCCC1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC000821687104 606721110 /nfs/dbraw/zinc/72/11/10/606721110.db2.gz ONIAVHCZRAVWMD-UHFFFAOYSA-N -1 3 322.800 2.534 20 0 DFADHM CC(C)[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000820047503 606725911 /nfs/dbraw/zinc/72/59/11/606725911.db2.gz ZBFSOFNSEUTCLL-GFCCVEGCSA-N -1 3 308.389 2.897 20 0 DFADHM CC(C)[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000820047503 606725913 /nfs/dbraw/zinc/72/59/13/606725913.db2.gz ZBFSOFNSEUTCLL-GFCCVEGCSA-N -1 3 308.389 2.897 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1F ZINC000822283688 606728074 /nfs/dbraw/zinc/72/80/74/606728074.db2.gz ARLSKDVIZOBJCK-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1F ZINC000822283688 606728076 /nfs/dbraw/zinc/72/80/76/606728076.db2.gz ARLSKDVIZOBJCK-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCC2CCC2)n1 ZINC000822723862 606728188 /nfs/dbraw/zinc/72/81/88/606728188.db2.gz RKTIGYWSIJHDAZ-UHFFFAOYSA-N -1 3 312.299 2.883 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCC2CCC2)n1 ZINC000822723862 606728189 /nfs/dbraw/zinc/72/81/89/606728189.db2.gz RKTIGYWSIJHDAZ-UHFFFAOYSA-N -1 3 312.299 2.883 20 0 DFADHM CCC1(CC)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820956732 606729595 /nfs/dbraw/zinc/72/95/95/606729595.db2.gz KCESVPRAGXVKTC-UHFFFAOYSA-N -1 3 306.801 2.932 20 0 DFADHM CCC1(CC)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820956732 606729596 /nfs/dbraw/zinc/72/95/96/606729596.db2.gz KCESVPRAGXVKTC-UHFFFAOYSA-N -1 3 306.801 2.932 20 0 DFADHM Cc1nnc(N(C)C2CCC(C)(C)CC2)c(-c2nnn[n-]2)c1C ZINC000822510445 606729982 /nfs/dbraw/zinc/72/99/82/606729982.db2.gz NFPUAISDWQKLNW-UHFFFAOYSA-N -1 3 315.425 2.679 20 0 DFADHM Cc1nnc(N(C)C2CCC(C)(C)CC2)c(-c2nn[n-]n2)c1C ZINC000822510445 606729983 /nfs/dbraw/zinc/72/99/83/606729983.db2.gz NFPUAISDWQKLNW-UHFFFAOYSA-N -1 3 315.425 2.679 20 0 DFADHM CC(C)CCCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820073763 606745818 /nfs/dbraw/zinc/74/58/18/606745818.db2.gz VJWGQEYIVDSMSM-UHFFFAOYSA-N -1 3 310.304 2.738 20 0 DFADHM CC(C)CCCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820073763 606745819 /nfs/dbraw/zinc/74/58/19/606745819.db2.gz VJWGQEYIVDSMSM-UHFFFAOYSA-N -1 3 310.304 2.738 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(Oc2ncnc3[nH]ccc32)c1 ZINC000822574478 606789909 /nfs/dbraw/zinc/78/99/09/606789909.db2.gz VKIOEUGCLLDKIJ-UHFFFAOYSA-N -1 3 313.708 2.584 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(Oc2ncnc3[nH]ccc32)c1 ZINC000822574478 606789910 /nfs/dbraw/zinc/78/99/10/606789910.db2.gz VKIOEUGCLLDKIJ-UHFFFAOYSA-N -1 3 313.708 2.584 20 0 DFADHM CC(C)c1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820192320 606798955 /nfs/dbraw/zinc/79/89/55/606798955.db2.gz JJAUULHLFYQCMK-UHFFFAOYSA-N -1 3 309.329 2.604 20 0 DFADHM CC(C)c1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820192320 606798957 /nfs/dbraw/zinc/79/89/57/606798957.db2.gz JJAUULHLFYQCMK-UHFFFAOYSA-N -1 3 309.329 2.604 20 0 DFADHM CC(C)c1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820192399 606799104 /nfs/dbraw/zinc/79/91/04/606799104.db2.gz MJCLHOXGUQDNBD-UHFFFAOYSA-N -1 3 323.356 2.742 20 0 DFADHM CC(C)c1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820192399 606799105 /nfs/dbraw/zinc/79/91/05/606799105.db2.gz MJCLHOXGUQDNBD-UHFFFAOYSA-N -1 3 323.356 2.742 20 0 DFADHM CC(C)CC1(CNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820062201 606812220 /nfs/dbraw/zinc/81/22/20/606812220.db2.gz JMIGIBYKSDUOGB-UHFFFAOYSA-N -1 3 313.405 2.813 20 0 DFADHM CC(C)CC1(CNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820062201 606812222 /nfs/dbraw/zinc/81/22/22/606812222.db2.gz JMIGIBYKSDUOGB-UHFFFAOYSA-N -1 3 313.405 2.813 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc2cccnc21 ZINC000823367979 606817684 /nfs/dbraw/zinc/81/76/84/606817684.db2.gz PPHXRNMLCBTSGA-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc2cccnc21 ZINC000823367979 606817685 /nfs/dbraw/zinc/81/76/85/606817685.db2.gz PPHXRNMLCBTSGA-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM CC(=CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)(C)C ZINC000819765269 606827878 /nfs/dbraw/zinc/82/78/78/606827878.db2.gz NEDPMUPJYJCJGE-CLFYSBASSA-N -1 3 301.350 2.503 20 0 DFADHM C/C(=C/C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)(C)C ZINC000819765269 606827880 /nfs/dbraw/zinc/82/78/80/606827880.db2.gz NEDPMUPJYJCJGE-CLFYSBASSA-N -1 3 301.350 2.503 20 0 DFADHM C[C@H](NC(=O)Nc1ccsc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820379532 606829643 /nfs/dbraw/zinc/82/96/43/606829643.db2.gz COCLULCWGUQACR-VIFPVBQESA-N -1 3 314.374 2.811 20 0 DFADHM C[C@H](NC(=O)Nc1ccsc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820379532 606829645 /nfs/dbraw/zinc/82/96/45/606829645.db2.gz COCLULCWGUQACR-VIFPVBQESA-N -1 3 314.374 2.811 20 0 DFADHM CC(C)OCCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820145598 606840607 /nfs/dbraw/zinc/84/06/07/606840607.db2.gz BOSJAAXLEWYTIU-UHFFFAOYSA-N -1 3 322.434 2.794 20 0 DFADHM CC(C)OCCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820145598 606840608 /nfs/dbraw/zinc/84/06/08/606840608.db2.gz BOSJAAXLEWYTIU-UHFFFAOYSA-N -1 3 322.434 2.794 20 0 DFADHM c1cc(OCCCSC[C@H]2CCCO2)cc(-c2nnn[n-]2)c1 ZINC000823762648 606841571 /nfs/dbraw/zinc/84/15/71/606841571.db2.gz ROYUQALLGFGTHD-CQSZACIVSA-N -1 3 320.418 2.548 20 0 DFADHM c1cc(OCCCSC[C@H]2CCCO2)cc(-c2nn[n-]n2)c1 ZINC000823762648 606841573 /nfs/dbraw/zinc/84/15/73/606841573.db2.gz ROYUQALLGFGTHD-CQSZACIVSA-N -1 3 320.418 2.548 20 0 DFADHM c1cc(CSCCCOc2cccc(-c3nnn[n-]3)c2)no1 ZINC000823762960 606841828 /nfs/dbraw/zinc/84/18/28/606841828.db2.gz XTIBKFNUXWCWEL-UHFFFAOYSA-N -1 3 317.374 2.557 20 0 DFADHM c1cc(CSCCCOc2cccc(-c3nn[n-]n3)c2)no1 ZINC000823762960 606841829 /nfs/dbraw/zinc/84/18/29/606841829.db2.gz XTIBKFNUXWCWEL-UHFFFAOYSA-N -1 3 317.374 2.557 20 0 DFADHM C[C@H](NC(=O)N1[C@H](C)CC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342615 606863491 /nfs/dbraw/zinc/86/34/91/606863491.db2.gz WHWJKVVTTNORJN-UTUOFQBUSA-N -1 3 314.393 2.510 20 0 DFADHM C[C@H](NC(=O)N1[C@H](C)CC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342615 606863492 /nfs/dbraw/zinc/86/34/92/606863492.db2.gz WHWJKVVTTNORJN-UTUOFQBUSA-N -1 3 314.393 2.510 20 0 DFADHM C[C@H](NC(=O)N1[C@H](C)CC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339863 606870154 /nfs/dbraw/zinc/87/01/54/606870154.db2.gz HNTZCNBFNLUZTL-TUAOUCFPSA-N -1 3 314.393 2.510 20 0 DFADHM C[C@H](NC(=O)N1[C@H](C)CC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339863 606870152 /nfs/dbraw/zinc/87/01/52/606870152.db2.gz HNTZCNBFNLUZTL-TUAOUCFPSA-N -1 3 314.393 2.510 20 0 DFADHM CCc1noc(C)c1COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821553393 606872865 /nfs/dbraw/zinc/87/28/65/606872865.db2.gz FZQPWEMLKZROGL-UHFFFAOYSA-N -1 3 319.752 2.958 20 0 DFADHM CCc1noc(C)c1COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821553393 606872867 /nfs/dbraw/zinc/87/28/67/606872867.db2.gz FZQPWEMLKZROGL-UHFFFAOYSA-N -1 3 319.752 2.958 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)CO2 ZINC000822274660 606878474 /nfs/dbraw/zinc/87/84/74/606878474.db2.gz DVCYNTQZVFJESY-ZDUSSCGKSA-N -1 3 311.320 2.860 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)CO2 ZINC000822274660 606878475 /nfs/dbraw/zinc/87/84/75/606878475.db2.gz DVCYNTQZVFJESY-ZDUSSCGKSA-N -1 3 311.320 2.860 20 0 DFADHM Cc1ccc(N(C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822241085 606887810 /nfs/dbraw/zinc/88/78/10/606887810.db2.gz KOTMAKASACBGEK-KRWDZBQOSA-N -1 3 323.400 2.653 20 0 DFADHM Cc1ccc(N(C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822241085 606887812 /nfs/dbraw/zinc/88/78/12/606887812.db2.gz 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C[C@@H](C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)C1CC1 ZINC000819856950 606962386 /nfs/dbraw/zinc/96/23/86/606962386.db2.gz NIEWPIHFKQNQMS-MRVPVSSYSA-N -1 3 305.769 2.529 20 0 DFADHM CC(C)[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820016652 606964343 /nfs/dbraw/zinc/96/43/43/606964343.db2.gz NQCIHKSVUWROOB-SECBINFHSA-N -1 3 307.785 2.775 20 0 DFADHM CC(C)[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820016652 606964345 /nfs/dbraw/zinc/96/43/45/606964345.db2.gz NQCIHKSVUWROOB-SECBINFHSA-N -1 3 307.785 2.775 20 0 DFADHM CN(C(=O)C=Cc1cccc(F)c1)c1ccccc1-c1nnn[n-]1 ZINC000821569850 606971329 /nfs/dbraw/zinc/97/13/29/606971329.db2.gz YENONUTZPHTFGK-KTKRTIGZSA-N -1 3 323.331 2.682 20 0 DFADHM CN(C(=O)C=Cc1cccc(F)c1)c1ccccc1-c1nn[n-]n1 ZINC000821569850 606971331 /nfs/dbraw/zinc/97/13/31/606971331.db2.gz YENONUTZPHTFGK-KTKRTIGZSA-N -1 3 323.331 2.682 20 0 DFADHM CN(C(=O)c1cccc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000821574567 606971861 /nfs/dbraw/zinc/97/18/61/606971861.db2.gz 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ZINC000822453252 607008485 /nfs/dbraw/zinc/00/84/85/607008485.db2.gz GBKPHQAOGUSMPI-UHFFFAOYSA-N -1 3 305.338 2.903 20 0 DFADHM Cc1nc(SCc2ccc(F)c(-c3nn[n-]n3)c2)oc1C ZINC000822453252 607008487 /nfs/dbraw/zinc/00/84/87/607008487.db2.gz GBKPHQAOGUSMPI-UHFFFAOYSA-N -1 3 305.338 2.903 20 0 DFADHM CCOC(=O)[C@H](CC)SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821319197 607010469 /nfs/dbraw/zinc/01/04/69/607010469.db2.gz BVWRHYLIOIKDES-LBPRGKRZSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)[C@H](CC)SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821319197 607010471 /nfs/dbraw/zinc/01/04/71/607010471.db2.gz BVWRHYLIOIKDES-LBPRGKRZSA-N -1 3 324.381 2.581 20 0 DFADHM Clc1cc(N2CCOC3(CCCC3)C2)ccc1-c1nnn[n-]1 ZINC000822568839 607031347 /nfs/dbraw/zinc/03/13/47/607031347.db2.gz YRZURBQPUWCJQT-UHFFFAOYSA-N -1 3 319.796 2.670 20 0 DFADHM Clc1cc(N2CCOC3(CCCC3)C2)ccc1-c1nn[n-]n1 ZINC000822568839 607031348 /nfs/dbraw/zinc/03/13/48/607031348.db2.gz YRZURBQPUWCJQT-UHFFFAOYSA-N -1 3 319.796 2.670 20 0 DFADHM CC(C)CO[C@H]1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000820102610 607044524 /nfs/dbraw/zinc/04/45/24/607044524.db2.gz DKBJWZHJLQXOPW-LBPRGKRZSA-N -1 3 321.812 2.771 20 0 DFADHM CC(C)CO[C@H]1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820102610 607044525 /nfs/dbraw/zinc/04/45/25/607044525.db2.gz DKBJWZHJLQXOPW-LBPRGKRZSA-N -1 3 321.812 2.771 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000820676021 607085677 /nfs/dbraw/zinc/08/56/77/607085677.db2.gz LIWZVLJHQQKCGE-QBQSQJOESA-N -1 3 316.336 2.795 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC000820676021 607085678 /nfs/dbraw/zinc/08/56/78/607085678.db2.gz LIWZVLJHQQKCGE-QBQSQJOESA-N -1 3 316.336 2.795 20 0 DFADHM CCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCC ZINC000821043920 607100085 /nfs/dbraw/zinc/10/00/85/607100085.db2.gz VOVYAAIKLHQUEB-UHFFFAOYSA-N -1 3 302.382 2.817 20 0 DFADHM FC1(F)CCC[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000822736372 607131097 /nfs/dbraw/zinc/13/10/97/607131097.db2.gz DOZYVTYIZABGLH-JTQLQIEISA-N -1 3 320.347 2.740 20 0 DFADHM FC1(F)CCC[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000822736372 607131098 /nfs/dbraw/zinc/13/10/98/607131098.db2.gz DOZYVTYIZABGLH-JTQLQIEISA-N -1 3 320.347 2.740 20 0 DFADHM Fc1ccc(N[C@H]2CCOC3(CCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822778042 607133719 /nfs/dbraw/zinc/13/37/19/607133719.db2.gz BBVFMDINIKSKMB-NSHDSACASA-N -1 3 303.341 2.519 20 0 DFADHM Fc1ccc(N[C@H]2CCOC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822778042 607133720 /nfs/dbraw/zinc/13/37/20/607133720.db2.gz BBVFMDINIKSKMB-NSHDSACASA-N -1 3 303.341 2.519 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CC23CCC3)s1 ZINC000821466005 607143960 /nfs/dbraw/zinc/14/39/60/607143960.db2.gz UJMOAILWJPOVBV-SNVBAGLBSA-N -1 3 303.391 2.619 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CC23CCC3)s1 ZINC000821466005 607143962 /nfs/dbraw/zinc/14/39/62/607143962.db2.gz UJMOAILWJPOVBV-SNVBAGLBSA-N -1 3 303.391 2.619 20 0 DFADHM Cc1ccccc1C(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000822345884 607171326 /nfs/dbraw/zinc/17/13/26/607171326.db2.gz VNTLLTSWIQFRLM-UHFFFAOYSA-N -1 3 312.304 2.576 20 0 DFADHM Cc1ccccc1C(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000822345884 607171327 /nfs/dbraw/zinc/17/13/27/607171327.db2.gz VNTLLTSWIQFRLM-UHFFFAOYSA-N -1 3 312.304 2.576 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1OC[C@H]1CC1(Cl)Cl ZINC000822748235 607171747 /nfs/dbraw/zinc/17/17/47/607171747.db2.gz OLCHNOVWELJNFI-SSDOTTSWSA-N -1 3 303.124 2.578 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1OC[C@H]1CC1(Cl)Cl ZINC000822748235 607171748 /nfs/dbraw/zinc/17/17/48/607171748.db2.gz OLCHNOVWELJNFI-SSDOTTSWSA-N -1 3 303.124 2.578 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820709509 607195353 /nfs/dbraw/zinc/19/53/53/607195353.db2.gz JVLKHNQLRTWRTA-SECBINFHSA-N -1 3 320.784 2.784 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820709509 607195354 /nfs/dbraw/zinc/19/53/54/607195354.db2.gz JVLKHNQLRTWRTA-SECBINFHSA-N -1 3 320.784 2.784 20 0 DFADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820697546 607199047 /nfs/dbraw/zinc/19/90/47/607199047.db2.gz ITDCRRJRVCAEKS-KWQFWETISA-N -1 3 320.784 2.830 20 0 DFADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820697546 607199048 /nfs/dbraw/zinc/19/90/48/607199048.db2.gz ITDCRRJRVCAEKS-KWQFWETISA-N -1 3 320.784 2.830 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2ccc(Cl)s2)n1 ZINC000822215142 607226585 /nfs/dbraw/zinc/22/65/85/607226585.db2.gz NGLUQRRWYKIEHO-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2ccc(Cl)s2)n1 ZINC000822215142 607226586 /nfs/dbraw/zinc/22/65/86/607226586.db2.gz NGLUQRRWYKIEHO-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000823387675 607236021 /nfs/dbraw/zinc/23/60/21/607236021.db2.gz UDVXWFMXDKQEAR-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000823387675 607236022 /nfs/dbraw/zinc/23/60/22/607236022.db2.gz UDVXWFMXDKQEAR-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM CC(C)CO[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820098427 607241068 /nfs/dbraw/zinc/24/10/68/607241068.db2.gz YVCAFCAIORZAQU-VIFPVBQESA-N -1 3 323.784 2.520 20 0 DFADHM CC(C)CO[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820098427 607241069 /nfs/dbraw/zinc/24/10/69/607241069.db2.gz YVCAFCAIORZAQU-VIFPVBQESA-N -1 3 323.784 2.520 20 0 DFADHM CCCCS[C@@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821077989 607244507 /nfs/dbraw/zinc/24/45/07/607244507.db2.gz ZYVRXMMWLYPUGJ-VIFPVBQESA-N -1 3 324.381 2.833 20 0 DFADHM CCCCS[C@@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821077989 607244508 /nfs/dbraw/zinc/24/45/08/607244508.db2.gz ZYVRXMMWLYPUGJ-VIFPVBQESA-N -1 3 324.381 2.833 20 0 DFADHM O=C(C=Cc1ccsc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822935963 607244649 /nfs/dbraw/zinc/24/46/49/607244649.db2.gz QUZZCVRUXADSPG-DAFODLJHSA-N -1 3 316.317 2.686 20 0 DFADHM O=C(C=Cc1ccsc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822935963 607244650 /nfs/dbraw/zinc/24/46/50/607244650.db2.gz QUZZCVRUXADSPG-DAFODLJHSA-N -1 3 316.317 2.686 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820685123 607244913 /nfs/dbraw/zinc/24/49/13/607244913.db2.gz SVUBYYRNVBLGJV-NXEZZACHSA-N -1 3 304.325 2.738 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820685123 607244914 /nfs/dbraw/zinc/24/49/14/607244914.db2.gz SVUBYYRNVBLGJV-NXEZZACHSA-N -1 3 304.325 2.738 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccsc1 ZINC000819882536 607245033 /nfs/dbraw/zinc/24/50/33/607245033.db2.gz BFCDQTMPHLRFRW-QMMMGPOBSA-N -1 3 318.333 2.776 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccsc1 ZINC000819882536 607245034 /nfs/dbraw/zinc/24/50/34/607245034.db2.gz BFCDQTMPHLRFRW-QMMMGPOBSA-N -1 3 318.333 2.776 20 0 DFADHM Cc1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1F ZINC000822289050 607246154 /nfs/dbraw/zinc/24/61/54/607246154.db2.gz QADZRMXYZSAFMB-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000822289050 607246155 /nfs/dbraw/zinc/24/61/55/607246155.db2.gz QADZRMXYZSAFMB-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM CCc1oc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000821563745 607246229 /nfs/dbraw/zinc/24/62/29/607246229.db2.gz DAHKISPUAGNUEN-UHFFFAOYSA-N -1 3 316.292 2.689 20 0 DFADHM CCc1oc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000821563745 607246230 /nfs/dbraw/zinc/24/62/30/607246230.db2.gz DAHKISPUAGNUEN-UHFFFAOYSA-N -1 3 316.292 2.689 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000822227544 607250393 /nfs/dbraw/zinc/25/03/93/607250393.db2.gz MSSXZPKDYDCTFA-SECBINFHSA-N -1 3 316.292 2.616 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000822227544 607250394 /nfs/dbraw/zinc/25/03/94/607250394.db2.gz MSSXZPKDYDCTFA-SECBINFHSA-N -1 3 316.292 2.616 20 0 DFADHM CC(C)C[C@H](C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000824229110 607783795 /nfs/dbraw/zinc/78/37/95/607783795.db2.gz NPIHJTLPXDTOHX-JTQLQIEISA-N -1 3 304.423 2.588 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@@H]2CC2(C)C)c1-c1nn[n-]n1 ZINC000825687723 607785406 /nfs/dbraw/zinc/78/54/06/607785406.db2.gz MJTDECVDWJAONS-VIFPVBQESA-N -1 3 305.407 2.784 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@@H]2CC2(C)C)c1-c1nnn[n-]1 ZINC000825687723 607785405 /nfs/dbraw/zinc/78/54/05/607785405.db2.gz MJTDECVDWJAONS-VIFPVBQESA-N -1 3 305.407 2.784 20 0 DFADHM CCCC(CCC)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000825242270 607793723 /nfs/dbraw/zinc/79/37/23/607793723.db2.gz MVRSOEVWSQYHGI-UHFFFAOYSA-N -1 3 319.384 2.838 20 0 DFADHM CCCC(CCC)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000825242270 607793724 /nfs/dbraw/zinc/79/37/24/607793724.db2.gz MVRSOEVWSQYHGI-UHFFFAOYSA-N -1 3 319.384 2.838 20 0 DFADHM CC(C)(CNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000824157470 607794309 /nfs/dbraw/zinc/79/43/09/607794309.db2.gz GRUMOIYDVHOZOJ-UHFFFAOYSA-N -1 3 313.405 2.813 20 0 DFADHM CC(C)(CNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000824157470 607794310 /nfs/dbraw/zinc/79/43/10/607794310.db2.gz GRUMOIYDVHOZOJ-UHFFFAOYSA-N -1 3 313.405 2.813 20 0 DFADHM CCN(C(=O)c1cscc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390262 607798704 /nfs/dbraw/zinc/79/87/04/607798704.db2.gz BPTBBMWUIBDPLT-UHFFFAOYSA-N -1 3 313.386 2.903 20 0 DFADHM CCN(C(=O)c1cscc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390262 607798705 /nfs/dbraw/zinc/79/87/05/607798705.db2.gz BPTBBMWUIBDPLT-UHFFFAOYSA-N -1 3 313.386 2.903 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C1CC1)C1CC1 ZINC000826453031 607801870 /nfs/dbraw/zinc/80/18/70/607801870.db2.gz SNLHIHFSBOSSBG-UHFFFAOYSA-N -1 3 317.780 2.895 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C1CC1)C1CC1 ZINC000826453031 607801871 /nfs/dbraw/zinc/80/18/71/607801871.db2.gz SNLHIHFSBOSSBG-UHFFFAOYSA-N -1 3 317.780 2.895 20 0 DFADHM CC1(c2ccccc2)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824844579 607809828 /nfs/dbraw/zinc/80/98/28/607809828.db2.gz YGMQZHSJEXWUTH-UHFFFAOYSA-N -1 3 320.400 2.820 20 0 DFADHM CC1(c2ccccc2)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824844579 607809829 /nfs/dbraw/zinc/80/98/29/607809829.db2.gz YGMQZHSJEXWUTH-UHFFFAOYSA-N -1 3 320.400 2.820 20 0 DFADHM Cc1ccc(CC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826286552 607831144 /nfs/dbraw/zinc/83/11/44/607831144.db2.gz HAHXHIXXNZVGJZ-NSHDSACASA-N -1 3 312.329 2.615 20 0 DFADHM Cc1ccc(CC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826286552 607831145 /nfs/dbraw/zinc/83/11/45/607831145.db2.gz HAHXHIXXNZVGJZ-NSHDSACASA-N -1 3 312.329 2.615 20 0 DFADHM CC(C)CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824266754 607831947 /nfs/dbraw/zinc/83/19/47/607831947.db2.gz PTFDSEVTPXYREE-UHFFFAOYSA-N -1 3 314.176 2.559 20 0 DFADHM CC(C)CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824266754 607831948 /nfs/dbraw/zinc/83/19/48/607831948.db2.gz PTFDSEVTPXYREE-UHFFFAOYSA-N -1 3 314.176 2.559 20 0 DFADHM C[C@@H]1C[C@@H](C)CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000824875326 607837759 /nfs/dbraw/zinc/83/77/59/607837759.db2.gz LMIVZRJGIAQQHG-VXGBXAGGSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1C[C@@H](C)CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000824875326 607837760 /nfs/dbraw/zinc/83/77/60/607837760.db2.gz LMIVZRJGIAQQHG-VXGBXAGGSA-N -1 3 308.389 2.897 20 0 DFADHM c1ccc(CC2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826520431 607838340 /nfs/dbraw/zinc/83/83/40/607838340.db2.gz IZYWSCLUXHLYAK-UHFFFAOYSA-N -1 3 320.400 2.721 20 0 DFADHM c1ccc(CC2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826520431 607838341 /nfs/dbraw/zinc/83/83/41/607838341.db2.gz IZYWSCLUXHLYAK-UHFFFAOYSA-N -1 3 320.400 2.721 20 0 DFADHM C[C@H]1OCC[C@@H]1SCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825021702 607845354 /nfs/dbraw/zinc/84/53/54/607845354.db2.gz TVGLUZRZHYVXCM-RISCZKNCSA-N -1 3 320.418 2.546 20 0 DFADHM O[C@@H](COc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000826504708 607870487 /nfs/dbraw/zinc/87/04/87/607870487.db2.gz BMBJMGHJMWCVPP-ZDUSSCGKSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@@H](COc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000826504708 607870488 /nfs/dbraw/zinc/87/04/88/607870488.db2.gz BMBJMGHJMWCVPP-ZDUSSCGKSA-N -1 3 316.748 2.633 20 0 DFADHM CCN(C(=O)[C@H]1C[C@H]1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367442 607878715 /nfs/dbraw/zinc/87/87/15/607878715.db2.gz QCEIMXZJECBYFO-KCJUWKMLSA-N -1 3 305.769 2.529 20 0 DFADHM CCN(C(=O)[C@H]1C[C@H]1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367442 607878716 /nfs/dbraw/zinc/87/87/16/607878716.db2.gz QCEIMXZJECBYFO-KCJUWKMLSA-N -1 3 305.769 2.529 20 0 DFADHM CCN(C(=O)[C@@H]1C[C@H]1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367444 607878902 /nfs/dbraw/zinc/87/89/02/607878902.db2.gz QCEIMXZJECBYFO-LDYMZIIASA-N -1 3 305.769 2.529 20 0 DFADHM CCN(C(=O)[C@@H]1C[C@H]1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367444 607878903 /nfs/dbraw/zinc/87/89/03/607878903.db2.gz QCEIMXZJECBYFO-LDYMZIIASA-N -1 3 305.769 2.529 20 0 DFADHM FC(F)(F)c1ccc(OCCn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000826368798 607892373 /nfs/dbraw/zinc/89/23/73/607892373.db2.gz BPGREQHEUBZRGE-UHFFFAOYSA-N -1 3 323.278 2.766 20 0 DFADHM FC(F)(F)c1ccc(OCCn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000826368798 607892374 /nfs/dbraw/zinc/89/23/74/607892374.db2.gz BPGREQHEUBZRGE-UHFFFAOYSA-N -1 3 323.278 2.766 20 0 DFADHM CC(C)CSCCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824274316 607905134 /nfs/dbraw/zinc/90/51/34/607905134.db2.gz GGHRJMFZUYYANW-UHFFFAOYSA-N -1 3 313.377 2.946 20 0 DFADHM CC(C)CSCCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824274316 607905135 /nfs/dbraw/zinc/90/51/35/607905135.db2.gz GGHRJMFZUYYANW-UHFFFAOYSA-N -1 3 313.377 2.946 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824899986 607947827 /nfs/dbraw/zinc/94/78/27/607947827.db2.gz RCUAIIKEFBJLRA-AWPPVZKDSA-N -1 3 309.373 2.502 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824899986 607947828 /nfs/dbraw/zinc/94/78/28/607947828.db2.gz RCUAIIKEFBJLRA-AWPPVZKDSA-N -1 3 309.373 2.502 20 0 DFADHM CCC(CC)(CC)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825090096 607948838 /nfs/dbraw/zinc/94/88/38/607948838.db2.gz SWALCQQAZGARBE-UHFFFAOYSA-N -1 3 313.405 2.972 20 0 DFADHM CCC(CC)(CC)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825090096 607948839 /nfs/dbraw/zinc/94/88/39/607948839.db2.gz SWALCQQAZGARBE-UHFFFAOYSA-N -1 3 313.405 2.972 20 0 DFADHM CCCC1(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)CCC1 ZINC000825247780 607952160 /nfs/dbraw/zinc/95/21/60/607952160.db2.gz HMAMUKIQCCQYLR-UHFFFAOYSA-N -1 3 311.389 2.726 20 0 DFADHM CCCC1(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)CCC1 ZINC000825247780 607952161 /nfs/dbraw/zinc/95/21/61/607952161.db2.gz HMAMUKIQCCQYLR-UHFFFAOYSA-N -1 3 311.389 2.726 20 0 DFADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(C)(C)C1CCCC1 ZINC000826358204 607955872 /nfs/dbraw/zinc/95/58/72/607955872.db2.gz KCYFVADBGYWQML-UHFFFAOYSA-N -1 3 317.393 2.578 20 0 DFADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(C)(C)C1CCCC1 ZINC000826358204 607955873 /nfs/dbraw/zinc/95/58/73/607955873.db2.gz KCYFVADBGYWQML-UHFFFAOYSA-N -1 3 317.393 2.578 20 0 DFADHM CS[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826224803 607963263 /nfs/dbraw/zinc/96/32/63/607963263.db2.gz LZGGHCKBTFBOCW-ZETCQYMHSA-N -1 3 311.798 2.600 20 0 DFADHM CS[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826224803 607963264 /nfs/dbraw/zinc/96/32/64/607963264.db2.gz LZGGHCKBTFBOCW-ZETCQYMHSA-N -1 3 311.798 2.600 20 0 DFADHM COc1ccc(C[C@@H](C)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826191611 607968105 /nfs/dbraw/zinc/96/81/05/607968105.db2.gz LCIIPJDSQMVQCW-GFCCVEGCSA-N -1 3 324.388 2.561 20 0 DFADHM COc1ccc(C[C@@H](C)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826191611 607968106 /nfs/dbraw/zinc/96/81/06/607968106.db2.gz LCIIPJDSQMVQCW-GFCCVEGCSA-N -1 3 324.388 2.561 20 0 DFADHM CCC[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000825260019 607969605 /nfs/dbraw/zinc/96/96/05/607969605.db2.gz MCWMEQYTEDALEA-JTQLQIEISA-N -1 3 307.785 2.525 20 0 DFADHM CCC[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000825260019 607969606 /nfs/dbraw/zinc/96/96/06/607969606.db2.gz MCWMEQYTEDALEA-JTQLQIEISA-N -1 3 307.785 2.525 20 0 DFADHM CC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000824024617 608005378 /nfs/dbraw/zinc/00/53/78/608005378.db2.gz MLLIGKPMGTYAGS-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM CC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000824024617 608005379 /nfs/dbraw/zinc/00/53/79/608005379.db2.gz MLLIGKPMGTYAGS-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM Fc1ccc(CN2CCc3ccsc3C2)cc1-c1nnn[n-]1 ZINC000826375074 608045720 /nfs/dbraw/zinc/04/57/20/608045720.db2.gz YOEORPDZTIZLLE-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM C[C@@H](c1ccccn1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000824770047 608086849 /nfs/dbraw/zinc/08/68/49/608086849.db2.gz DAINIHFLPHCXGU-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM C[C@@H](c1ccccn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000824770047 608086850 /nfs/dbraw/zinc/08/68/50/608086850.db2.gz DAINIHFLPHCXGU-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM CN(Cc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000825966277 608099449 /nfs/dbraw/zinc/09/94/49/608099449.db2.gz WCYDVJGSRDDFII-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000825966277 608099450 /nfs/dbraw/zinc/09/94/50/608099450.db2.gz WCYDVJGSRDDFII-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM COc1ccc(CNc2cc(C)ccc2F)cc1-c1nnn[n-]1 ZINC000826203409 608112393 /nfs/dbraw/zinc/11/23/93/608112393.db2.gz MRBHGOQDHGQMKI-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(CNc2cc(C)ccc2F)cc1-c1nn[n-]n1 ZINC000826203409 608112394 /nfs/dbraw/zinc/11/23/94/608112394.db2.gz MRBHGOQDHGQMKI-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Cc1ccc(F)c(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000826290033 608112675 /nfs/dbraw/zinc/11/26/75/608112675.db2.gz XNZCUOJPVQTXHV-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1ccc(F)c(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000826290033 608112676 /nfs/dbraw/zinc/11/26/76/608112676.db2.gz XNZCUOJPVQTXHV-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM CCC[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825224679 608117174 /nfs/dbraw/zinc/11/71/74/608117174.db2.gz BEJZLHPTBRSKAH-AWEZNQCLSA-N -1 3 302.378 2.982 20 0 DFADHM CCC[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825224679 608117175 /nfs/dbraw/zinc/11/71/75/608117175.db2.gz BEJZLHPTBRSKAH-AWEZNQCLSA-N -1 3 302.378 2.982 20 0 DFADHM Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)cc(C)c1F ZINC000826260945 608123027 /nfs/dbraw/zinc/12/30/27/608123027.db2.gz KQIBKKMBNRKSPF-UHFFFAOYSA-N -1 3 317.349 2.936 20 0 DFADHM Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)cc(C)c1F ZINC000826260945 608123028 /nfs/dbraw/zinc/12/30/28/608123028.db2.gz KQIBKKMBNRKSPF-UHFFFAOYSA-N -1 3 317.349 2.936 20 0 DFADHM CCC[C@@H](C)CNc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825233583 608135655 /nfs/dbraw/zinc/13/56/55/608135655.db2.gz QYGTXYDWUIBINY-GFCCVEGCSA-N -1 3 319.409 2.740 20 0 DFADHM CCC[C@@H](C)CNc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825233583 608135656 /nfs/dbraw/zinc/13/56/56/608135656.db2.gz QYGTXYDWUIBINY-GFCCVEGCSA-N -1 3 319.409 2.740 20 0 DFADHM Fc1ccc(Cn2cnc(Cl)c2Cl)c(-c2nnn[n-]2)c1 ZINC000826374806 608143692 /nfs/dbraw/zinc/14/36/92/608143692.db2.gz MXZAUWWCHUYMIO-UHFFFAOYSA-N -1 3 313.123 2.557 20 0 DFADHM Fc1ccc(Cn2cnc(Cl)c2Cl)c(-c2nn[n-]n2)c1 ZINC000826374806 608143693 /nfs/dbraw/zinc/14/36/93/608143693.db2.gz MXZAUWWCHUYMIO-UHFFFAOYSA-N -1 3 313.123 2.557 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](C2CC2)C1 ZINC000826304584 608151922 /nfs/dbraw/zinc/15/19/22/608151922.db2.gz QLTSWSSQSJHTQK-ZDUSSCGKSA-N -1 3 320.400 2.960 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](C2CC2)C1 ZINC000826304584 608151924 /nfs/dbraw/zinc/15/19/24/608151924.db2.gz QLTSWSSQSJHTQK-ZDUSSCGKSA-N -1 3 320.400 2.960 20 0 DFADHM c1cc(-c2nnn[n-]2)ccc1Sc1nc(C2CC2)ns1 ZINC000826514493 608179961 /nfs/dbraw/zinc/17/99/61/608179961.db2.gz SRNOAXHEGZGWBG-UHFFFAOYSA-N -1 3 302.388 2.747 20 0 DFADHM c1cc(-c2nn[n-]n2)ccc1Sc1nc(C2CC2)ns1 ZINC000826514493 608179963 /nfs/dbraw/zinc/17/99/63/608179963.db2.gz SRNOAXHEGZGWBG-UHFFFAOYSA-N -1 3 302.388 2.747 20 0 DFADHM CC(=O)c1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824024357 608186733 /nfs/dbraw/zinc/18/67/33/608186733.db2.gz BEAZEWLOYODZDZ-SNVBAGLBSA-N -1 3 308.345 2.637 20 0 DFADHM CC(=O)c1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824024357 608186734 /nfs/dbraw/zinc/18/67/34/608186734.db2.gz BEAZEWLOYODZDZ-SNVBAGLBSA-N -1 3 308.345 2.637 20 0 DFADHM Fc1ccc(CC2(CNc3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000826373991 608194994 /nfs/dbraw/zinc/19/49/94/608194994.db2.gz HLOHKIJQLUZWQG-UHFFFAOYSA-N -1 3 324.363 2.836 20 0 DFADHM Fc1ccc(CC2(CNc3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000826373991 608194995 /nfs/dbraw/zinc/19/49/95/608194995.db2.gz HLOHKIJQLUZWQG-UHFFFAOYSA-N -1 3 324.363 2.836 20 0 DFADHM C[C@@H]1C[C@@H](CNc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824886126 608195750 /nfs/dbraw/zinc/19/57/50/608195750.db2.gz VXJIVRJEIRBZOS-ZJUUUORDSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H]1C[C@@H](CNc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824886126 608195752 /nfs/dbraw/zinc/19/57/52/608195752.db2.gz VXJIVRJEIRBZOS-ZJUUUORDSA-N -1 3 307.785 2.747 20 0 DFADHM CCC1(CC)[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)[C@H]1OC ZINC000825170988 608197058 /nfs/dbraw/zinc/19/70/58/608197058.db2.gz LIFQUIWQYATFTD-LERXQTSPSA-N -1 3 316.409 2.513 20 0 DFADHM CCC1(CC)[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)[C@H]1OC ZINC000825170988 608197059 /nfs/dbraw/zinc/19/70/59/608197059.db2.gz LIFQUIWQYATFTD-LERXQTSPSA-N -1 3 316.409 2.513 20 0 DFADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC12CCC2 ZINC000824948387 608200241 /nfs/dbraw/zinc/20/02/41/608200241.db2.gz USLXQZWMDNQLCS-LBPRGKRZSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC000824948387 608200243 /nfs/dbraw/zinc/20/02/43/608200243.db2.gz USLXQZWMDNQLCS-LBPRGKRZSA-N -1 3 311.389 2.519 20 0 DFADHM CSC[C@@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826228429 608228942 /nfs/dbraw/zinc/22/89/42/608228942.db2.gz ODFVNBPFHCEQLP-SECBINFHSA-N -1 3 300.391 2.578 20 0 DFADHM CSC[C@@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826228429 608228943 /nfs/dbraw/zinc/22/89/43/608228943.db2.gz ODFVNBPFHCEQLP-SECBINFHSA-N -1 3 300.391 2.578 20 0 DFADHM CC(C)[C@H]1C[C@H](Nc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000824215284 608242046 /nfs/dbraw/zinc/24/20/46/608242046.db2.gz JZYXDVWXSVRXJP-BXUZGUMPSA-N -1 3 305.357 2.621 20 0 DFADHM CC(C)[C@H]1C[C@H](Nc2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824215284 608242047 /nfs/dbraw/zinc/24/20/47/608242047.db2.gz JZYXDVWXSVRXJP-BXUZGUMPSA-N -1 3 305.357 2.621 20 0 DFADHM CC(C)[C@H]1C[C@@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000824214775 608242346 /nfs/dbraw/zinc/24/23/46/608242346.db2.gz IBVQRGRPTZWREV-GXFFZTMASA-N -1 3 323.347 2.760 20 0 DFADHM CC(C)[C@H]1C[C@@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824214775 608242347 /nfs/dbraw/zinc/24/23/47/608242347.db2.gz IBVQRGRPTZWREV-GXFFZTMASA-N -1 3 323.347 2.760 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)Cc2ccccc2F)n1 ZINC000826275129 608277263 /nfs/dbraw/zinc/27/72/63/608277263.db2.gz PVJDVODZWLBMOV-LLVKDONJSA-N -1 3 312.352 2.752 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)Cc2ccccc2F)n1 ZINC000826275129 608277265 /nfs/dbraw/zinc/27/72/65/608277265.db2.gz PVJDVODZWLBMOV-LLVKDONJSA-N -1 3 312.352 2.752 20 0 DFADHM CCCCn1cc(CNc2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000825301169 608294116 /nfs/dbraw/zinc/29/41/16/608294116.db2.gz ISZCHFMENJKWFM-UHFFFAOYSA-N -1 3 311.393 2.784 20 0 DFADHM CS[C@@H](C)CCC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826225845 608301406 /nfs/dbraw/zinc/30/14/06/608301406.db2.gz MDMYJBCMSOIMEB-JTQLQIEISA-N -1 3 305.407 2.645 20 0 DFADHM CS[C@@H](C)CCC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826225845 608301408 /nfs/dbraw/zinc/30/14/08/608301408.db2.gz MDMYJBCMSOIMEB-JTQLQIEISA-N -1 3 305.407 2.645 20 0 DFADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000826376167 608306674 /nfs/dbraw/zinc/30/66/74/608306674.db2.gz RCEVELBPJPIPEG-AWEZNQCLSA-N -1 3 310.336 2.890 20 0 DFADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000826376167 608306675 /nfs/dbraw/zinc/30/66/75/608306675.db2.gz RCEVELBPJPIPEG-AWEZNQCLSA-N -1 3 310.336 2.890 20 0 DFADHM Cc1c(Nc2cccc(F)c2-c2nnn[n-]2)cnn1CC(C)C ZINC000826242814 608306722 /nfs/dbraw/zinc/30/67/22/608306722.db2.gz HMNNZAYQJKAZJD-UHFFFAOYSA-N -1 3 315.356 2.910 20 0 DFADHM Cc1c(Nc2cccc(F)c2-c2nn[n-]n2)cnn1CC(C)C ZINC000826242814 608306724 /nfs/dbraw/zinc/30/67/24/608306724.db2.gz HMNNZAYQJKAZJD-UHFFFAOYSA-N -1 3 315.356 2.910 20 0 DFADHM Cc1c(NC(=O)N2CC[C@@H](C)[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC000826241685 608308058 /nfs/dbraw/zinc/30/80/58/608308058.db2.gz LOFVWCGVNBNEED-GHMZBOCLSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1c(NC(=O)N2CC[C@@H](C)[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC000826241685 608308060 /nfs/dbraw/zinc/30/80/60/608308060.db2.gz LOFVWCGVNBNEED-GHMZBOCLSA-N -1 3 314.393 2.685 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(F)c1C ZINC000826170620 608320937 /nfs/dbraw/zinc/32/09/37/608320937.db2.gz IOYORWKAVKVHAG-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(F)c1C ZINC000826170620 608320939 /nfs/dbraw/zinc/32/09/39/608320939.db2.gz IOYORWKAVKVHAG-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Cc1ccncc1[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826251294 608334436 /nfs/dbraw/zinc/33/44/36/608334436.db2.gz LGULXELILBJZRZ-GFCCVEGCSA-N -1 3 323.356 2.797 20 0 DFADHM Cc1ccncc1[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826251294 608334437 /nfs/dbraw/zinc/33/44/37/608334437.db2.gz LGULXELILBJZRZ-GFCCVEGCSA-N -1 3 323.356 2.797 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(C)cc1 ZINC000826172570 608346182 /nfs/dbraw/zinc/34/61/82/608346182.db2.gz MZDDVWQBGKJJTG-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(C)cc1 ZINC000826172570 608346183 /nfs/dbraw/zinc/34/61/83/608346183.db2.gz MZDDVWQBGKJJTG-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM CCC(=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC)CC ZINC000825028970 608362743 /nfs/dbraw/zinc/36/27/43/608362743.db2.gz LGTWGBVRVVMGAP-UHFFFAOYSA-N -1 3 316.361 2.665 20 0 DFADHM CCC(=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC)CC ZINC000825028970 608362744 /nfs/dbraw/zinc/36/27/44/608362744.db2.gz LGTWGBVRVVMGAP-UHFFFAOYSA-N -1 3 316.361 2.665 20 0 DFADHM OC1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CCCCC1 ZINC000826505682 608376114 /nfs/dbraw/zinc/37/61/14/608376114.db2.gz CADIOWZQKVRZKN-UHFFFAOYSA-N -1 3 307.785 2.627 20 0 DFADHM OC1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CCCCC1 ZINC000826505682 608376116 /nfs/dbraw/zinc/37/61/16/608376116.db2.gz CADIOWZQKVRZKN-UHFFFAOYSA-N -1 3 307.785 2.627 20 0 DFADHM Cc1c(NCc2cccc(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000826242511 608428572 /nfs/dbraw/zinc/42/85/72/608428572.db2.gz SAWWXQZHQJLCIG-UHFFFAOYSA-N -1 3 311.393 2.640 20 0 DFADHM Cc1c(NCc2cccc(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000826242511 608428574 /nfs/dbraw/zinc/42/85/74/608428574.db2.gz SAWWXQZHQJLCIG-UHFFFAOYSA-N -1 3 311.393 2.640 20 0 DFADHM CCc1ncnc(Sc2cccc(-c3nnn[n-]3)c2)c1F ZINC000825754798 608431568 /nfs/dbraw/zinc/43/15/68/608431568.db2.gz HTTWWWDLQGRALR-UHFFFAOYSA-N -1 3 302.338 2.509 20 0 DFADHM CCc1ncnc(Sc2cccc(-c3nn[n-]n3)c2)c1F ZINC000825754798 608431569 /nfs/dbraw/zinc/43/15/69/608431569.db2.gz HTTWWWDLQGRALR-UHFFFAOYSA-N -1 3 302.338 2.509 20 0 DFADHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(C)o1 ZINC000826261696 608434951 /nfs/dbraw/zinc/43/49/51/608434951.db2.gz OIPHWEAJSTZQDQ-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(C)o1 ZINC000826261696 608434952 /nfs/dbraw/zinc/43/49/52/608434952.db2.gz OIPHWEAJSTZQDQ-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM C[C@@H]1C[C@@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824898452 608444819 /nfs/dbraw/zinc/44/48/19/608444819.db2.gz FLIJYHBYMFQFMO-PTEHBNRSSA-N -1 3 324.388 2.783 20 0 DFADHM C[C@@H]1CC(Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@@H](C)O1 ZINC000824893496 608444953 /nfs/dbraw/zinc/44/49/53/608444953.db2.gz RHKCQNBKEQCTRC-GHMZBOCLSA-N -1 3 324.388 2.783 20 0 DFADHM C[C@@H]1CC(Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@@H](C)O1 ZINC000824893496 608444954 /nfs/dbraw/zinc/44/49/54/608444954.db2.gz RHKCQNBKEQCTRC-GHMZBOCLSA-N -1 3 324.388 2.783 20 0 DFADHM CC(C)(C)/C=C/C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824079233 608447803 /nfs/dbraw/zinc/44/78/03/608447803.db2.gz NGOSUCADQYYQAZ-BQYQJAHWSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)(C)/C=C/C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824079233 608447805 /nfs/dbraw/zinc/44/78/05/608447805.db2.gz NGOSUCADQYYQAZ-BQYQJAHWSA-N -1 3 304.325 2.651 20 0 DFADHM O=C(C1=CCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826397878 608479123 /nfs/dbraw/zinc/47/91/23/608479123.db2.gz MBVRYILDJORTPU-UHFFFAOYSA-N -1 3 321.384 2.593 20 0 DFADHM O=C(C1=CCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826397878 608479125 /nfs/dbraw/zinc/47/91/25/608479125.db2.gz MBVRYILDJORTPU-UHFFFAOYSA-N -1 3 321.384 2.593 20 0 DFADHM Fc1ccc([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000826374259 608510562 /nfs/dbraw/zinc/51/05/62/608510562.db2.gz RZBXHPKFPRIWGV-CQSZACIVSA-N -1 3 313.336 2.936 20 0 DFADHM Fc1ccc([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000826374258 608510983 /nfs/dbraw/zinc/51/09/83/608510983.db2.gz RZBXHPKFPRIWGV-AWEZNQCLSA-N -1 3 313.336 2.936 20 0 DFADHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(F)cc1F ZINC000825953332 608512085 /nfs/dbraw/zinc/51/20/85/608512085.db2.gz FTIZAGXAWVUMMS-UHFFFAOYSA-N -1 3 321.356 2.838 20 0 DFADHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccc(F)cc1F ZINC000825953332 608512086 /nfs/dbraw/zinc/51/20/86/608512086.db2.gz FTIZAGXAWVUMMS-UHFFFAOYSA-N -1 3 321.356 2.838 20 0 DFADHM COc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826208862 608542017 /nfs/dbraw/zinc/54/20/17/608542017.db2.gz CWPDSYLREKUODG-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826208862 608542019 /nfs/dbraw/zinc/54/20/19/608542019.db2.gz CWPDSYLREKUODG-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CC1(C)CC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824802279 608544299 /nfs/dbraw/zinc/54/42/99/608544299.db2.gz LJDSCHDKQFZKGY-LBPRGKRZSA-N -1 3 300.366 2.567 20 0 DFADHM CC1(C)CC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824802279 608544301 /nfs/dbraw/zinc/54/43/01/608544301.db2.gz LJDSCHDKQFZKGY-LBPRGKRZSA-N -1 3 300.366 2.567 20 0 DFADHM CC1(C)CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824801702 608544427 /nfs/dbraw/zinc/54/44/27/608544427.db2.gz GUFJLRNBKBTXNR-LBPRGKRZSA-N -1 3 300.366 2.567 20 0 DFADHM CC1(C)CC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801702 608544429 /nfs/dbraw/zinc/54/44/29/608544429.db2.gz GUFJLRNBKBTXNR-LBPRGKRZSA-N -1 3 300.366 2.567 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1ccc2c(c1)COC2 ZINC000826351078 608558797 /nfs/dbraw/zinc/55/87/97/608558797.db2.gz WNKFBXSNESEPBL-UHFFFAOYSA-N -1 3 314.736 2.689 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1ccc2c(c1)COC2 ZINC000826351078 608558798 /nfs/dbraw/zinc/55/87/98/608558798.db2.gz WNKFBXSNESEPBL-UHFFFAOYSA-N -1 3 314.736 2.689 20 0 DFADHM C[C@H](NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000824624610 608563591 /nfs/dbraw/zinc/56/35/91/608563591.db2.gz APCWUGOTTUBUAZ-JTQLQIEISA-N -1 3 314.780 2.766 20 0 DFADHM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824937685 608572881 /nfs/dbraw/zinc/57/28/81/608572881.db2.gz QNQARMNMWWNGMA-ZANVPECISA-N -1 3 319.796 2.829 20 0 DFADHM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824937685 608572882 /nfs/dbraw/zinc/57/28/82/608572882.db2.gz QNQARMNMWWNGMA-ZANVPECISA-N -1 3 319.796 2.829 20 0 DFADHM Cc1c(NC(=O)N2C[C@H](C)CC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000826241714 608609318 /nfs/dbraw/zinc/60/93/18/608609318.db2.gz LYPSZMPEQUOBBS-MNOVXSKESA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2C[C@H](C)CC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000826241714 608609320 /nfs/dbraw/zinc/60/93/20/608609320.db2.gz LYPSZMPEQUOBBS-MNOVXSKESA-N -1 3 314.393 2.827 20 0 DFADHM C[C@H](Nc1cnccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000824662092 608767716 /nfs/dbraw/zinc/76/77/16/608767716.db2.gz BZOOZYFZADNKMT-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@H](Nc1cnccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000824662092 608767718 /nfs/dbraw/zinc/76/77/18/608767718.db2.gz BZOOZYFZADNKMT-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM CC(C)Oc1ccc(CNc2cnccc2-c2nnn[n-]2)cc1 ZINC000824324816 608771341 /nfs/dbraw/zinc/77/13/41/608771341.db2.gz WKWMBOYXOJSKLX-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)Oc1ccc(CNc2cnccc2-c2nn[n-]n2)cc1 ZINC000824324816 608771344 /nfs/dbraw/zinc/77/13/44/608771344.db2.gz WKWMBOYXOJSKLX-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)Oc1cccc(CNc2cnccc2-c2nnn[n-]2)c1 ZINC000824333538 608772795 /nfs/dbraw/zinc/77/27/95/608772795.db2.gz LGHVSILZOYVCOF-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)Oc1cccc(CNc2cnccc2-c2nn[n-]n2)c1 ZINC000824333538 608772799 /nfs/dbraw/zinc/77/27/99/608772799.db2.gz LGHVSILZOYVCOF-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)c1ccc(OCCNc2cnccc2-c2nnn[n-]2)cc1 ZINC000824347861 608773483 /nfs/dbraw/zinc/77/34/83/608773483.db2.gz PUPHEUGUPWUZPM-UHFFFAOYSA-N -1 3 324.388 2.876 20 0 DFADHM CC(C)c1ccc(OCCNc2cnccc2-c2nn[n-]n2)cc1 ZINC000824347861 608773484 /nfs/dbraw/zinc/77/34/84/608773484.db2.gz PUPHEUGUPWUZPM-UHFFFAOYSA-N -1 3 324.388 2.876 20 0 DFADHM Cc1ccc(OCCCCNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826292340 608775368 /nfs/dbraw/zinc/77/53/68/608775368.db2.gz RBRYWNNFWJTOTM-UHFFFAOYSA-N -1 3 324.388 2.841 20 0 DFADHM Cc1ccc(OCCCCNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826292340 608775369 /nfs/dbraw/zinc/77/53/69/608775369.db2.gz RBRYWNNFWJTOTM-UHFFFAOYSA-N -1 3 324.388 2.841 20 0 DFADHM CC(C)(C)[C@H]1CCCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000824078814 608783412 /nfs/dbraw/zinc/78/34/12/608783412.db2.gz KQUJSGZTKHFJTI-LBPRGKRZSA-N -1 3 300.410 2.914 20 0 DFADHM CC(C)(C)[C@H]1CCCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000824078814 608783413 /nfs/dbraw/zinc/78/34/13/608783413.db2.gz KQUJSGZTKHFJTI-LBPRGKRZSA-N -1 3 300.410 2.914 20 0 DFADHM COc1ccc([C@@H](C)CCNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826187908 608786190 /nfs/dbraw/zinc/78/61/90/608786190.db2.gz ICGQGMRSXOYIBD-LBPRGKRZSA-N -1 3 324.388 2.876 20 0 DFADHM COc1ccc([C@@H](C)CCNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826187908 608786191 /nfs/dbraw/zinc/78/61/91/608786191.db2.gz ICGQGMRSXOYIBD-LBPRGKRZSA-N -1 3 324.388 2.876 20 0 DFADHM CCS[C@H]1CCC[C@@H](Nc2cnccc2-c2nnn[n-]2)C1 ZINC000825668544 608788942 /nfs/dbraw/zinc/78/89/42/608788942.db2.gz GLQOVZFQQIRZHR-MNOVXSKESA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@H]1CCC[C@@H](Nc2cnccc2-c2nn[n-]n2)C1 ZINC000825668544 608788944 /nfs/dbraw/zinc/78/89/44/608788944.db2.gz GLQOVZFQQIRZHR-MNOVXSKESA-N -1 3 304.423 2.738 20 0 DFADHM CCCOc1cccc(CCNc2cnccc2-c2nnn[n-]2)c1 ZINC000825342146 608793700 /nfs/dbraw/zinc/79/37/00/608793700.db2.gz OEZRMGPSSQCASM-UHFFFAOYSA-N -1 3 324.388 2.705 20 0 DFADHM CCCOc1cccc(CCNc2cnccc2-c2nn[n-]n2)c1 ZINC000825342146 608793703 /nfs/dbraw/zinc/79/37/03/608793703.db2.gz OEZRMGPSSQCASM-UHFFFAOYSA-N -1 3 324.388 2.705 20 0 DFADHM Fc1ccc(NCCSCC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000826375718 608796715 /nfs/dbraw/zinc/79/67/15/608796715.db2.gz ZIXUZGAANHGETI-UHFFFAOYSA-N -1 3 321.303 2.713 20 0 DFADHM Fc1ccc(NCCSCC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000826375718 608796718 /nfs/dbraw/zinc/79/67/18/608796718.db2.gz ZIXUZGAANHGETI-UHFFFAOYSA-N -1 3 321.303 2.713 20 0 DFADHM c1cnn(-c2cccc(CNc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000826517367 608873281 /nfs/dbraw/zinc/87/32/81/608873281.db2.gz ZSVNFJAFNDZNFT-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM c1cnn(-c2cccc(CNc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000826517367 608873284 /nfs/dbraw/zinc/87/32/84/608873284.db2.gz ZSVNFJAFNDZNFT-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM CON(Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826166738 609143176 /nfs/dbraw/zinc/14/31/76/609143176.db2.gz YPSAPQRFJIFNFO-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CON(Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826166738 609143177 /nfs/dbraw/zinc/14/31/77/609143177.db2.gz YPSAPQRFJIFNFO-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CON(Cc1ccccc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826166297 609143309 /nfs/dbraw/zinc/14/33/09/609143309.db2.gz DSCRGERFVOANNW-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CON(Cc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000826166297 609143310 /nfs/dbraw/zinc/14/33/10/609143310.db2.gz DSCRGERFVOANNW-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CC(C)n1cc2c(n1)[C@@H](Nc1ncccc1-c1nnn[n-]1)CCC2 ZINC000824371670 609149689 /nfs/dbraw/zinc/14/96/89/609149689.db2.gz NTUJWWCWHLDEMZ-ZDUSSCGKSA-N -1 3 324.392 2.529 20 0 DFADHM CC(C)n1cc2c(n1)[C@@H](Nc1ncccc1-c1nn[n-]n1)CCC2 ZINC000824371670 609149693 /nfs/dbraw/zinc/14/96/93/609149693.db2.gz NTUJWWCWHLDEMZ-ZDUSSCGKSA-N -1 3 324.392 2.529 20 0 DFADHM CC[C@@H]1C[C@H](CNc2cccc(-c3nnn[n-]3)c2C)CCO1 ZINC000825184022 609171783 /nfs/dbraw/zinc/17/17/83/609171783.db2.gz QMRPBCWRSDPNTI-CHWSQXEVSA-N -1 3 301.394 2.792 20 0 DFADHM CC[C@@H]1C[C@H](CNc2cccc(-c3nn[n-]n3)c2C)CCO1 ZINC000825184022 609171785 /nfs/dbraw/zinc/17/17/85/609171785.db2.gz QMRPBCWRSDPNTI-CHWSQXEVSA-N -1 3 301.394 2.792 20 0 DFADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824908331 609175500 /nfs/dbraw/zinc/17/55/00/609175500.db2.gz NZAWHZHDVXWSRZ-DTWKUNHWSA-N -1 3 315.299 2.623 20 0 DFADHM c1cc(CSc2ccc(-c3nnn[n-]3)cn2)cc2c1COC2 ZINC000826518114 609310137 /nfs/dbraw/zinc/31/01/37/609310137.db2.gz CAYIOMLSHOOSPS-UHFFFAOYSA-N -1 3 311.370 2.584 20 0 DFADHM c1cc(CSc2ccc(-c3nn[n-]n3)cn2)cc2c1COC2 ZINC000826518114 609310138 /nfs/dbraw/zinc/31/01/38/609310138.db2.gz CAYIOMLSHOOSPS-UHFFFAOYSA-N -1 3 311.370 2.584 20 0 DFADHM CCN(C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825390988 609312530 /nfs/dbraw/zinc/31/25/30/609312530.db2.gz RFZGZGIVSWRWBB-UHFFFAOYSA-N -1 3 323.356 2.751 20 0 DFADHM CCN(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825390988 609312531 /nfs/dbraw/zinc/31/25/31/609312531.db2.gz RFZGZGIVSWRWBB-UHFFFAOYSA-N -1 3 323.356 2.751 20 0 DFADHM CCC(CC)[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000825106507 609321640 /nfs/dbraw/zinc/32/16/40/609321640.db2.gz FDXOBGHXDGWKLC-IUODEOHRSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000825106507 609321641 /nfs/dbraw/zinc/32/16/41/609321641.db2.gz FDXOBGHXDGWKLC-IUODEOHRSA-N -1 3 316.409 2.657 20 0 DFADHM CN(C[C@@H]1CCCC[C@@H]1O)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000825907892 609325144 /nfs/dbraw/zinc/32/51/44/609325144.db2.gz CVQCLRCSSODQGJ-GWCFXTLKSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@@H]1CCCC[C@@H]1O)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000825907892 609325146 /nfs/dbraw/zinc/32/51/46/609325146.db2.gz CVQCLRCSSODQGJ-GWCFXTLKSA-N -1 3 321.812 2.507 20 0 DFADHM CC(C)[C@H](C)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824192459 609350073 /nfs/dbraw/zinc/35/00/73/609350073.db2.gz JZHNWZDUJNWYMA-JTQLQIEISA-N -1 3 315.356 2.648 20 0 DFADHM COCCC[C@@H](C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826155617 609386738 /nfs/dbraw/zinc/38/67/38/609386738.db2.gz WHFWIBNXLJSYQR-NEPJUHHUSA-N -1 3 318.377 2.534 20 0 DFADHM COCCC[C@@H](C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826155617 609386739 /nfs/dbraw/zinc/38/67/39/609386739.db2.gz WHFWIBNXLJSYQR-NEPJUHHUSA-N -1 3 318.377 2.534 20 0 DFADHM OCCCc1cccc(Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826510124 609389203 /nfs/dbraw/zinc/38/92/03/609389203.db2.gz YWZVFDFSSLRHFQ-UHFFFAOYSA-N -1 3 313.336 2.674 20 0 DFADHM OCCCc1cccc(Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826510124 609389205 /nfs/dbraw/zinc/38/92/05/609389205.db2.gz YWZVFDFSSLRHFQ-UHFFFAOYSA-N -1 3 313.336 2.674 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824795927 609392065 /nfs/dbraw/zinc/39/20/65/609392065.db2.gz JCJWYXXEYMGMLZ-ZDUSSCGKSA-N -1 3 300.362 2.736 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824795927 609392068 /nfs/dbraw/zinc/39/20/68/609392068.db2.gz JCJWYXXEYMGMLZ-ZDUSSCGKSA-N -1 3 300.362 2.736 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccc(C)cc1 ZINC000824019736 609419969 /nfs/dbraw/zinc/41/99/69/609419969.db2.gz MSMULRYFCMUPMK-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1ccc(C)cc1 ZINC000824019736 609419970 /nfs/dbraw/zinc/41/99/70/609419970.db2.gz MSMULRYFCMUPMK-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCCc1cccs1 ZINC000826186011 609437366 /nfs/dbraw/zinc/43/73/66/609437366.db2.gz ALUDPSPAKBMLJW-UHFFFAOYSA-N -1 3 301.375 2.591 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCCc1cccs1 ZINC000826186011 609437368 /nfs/dbraw/zinc/43/73/68/609437368.db2.gz ALUDPSPAKBMLJW-UHFFFAOYSA-N -1 3 301.375 2.591 20 0 DFADHM CC(C)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824305423 609446235 /nfs/dbraw/zinc/44/62/35/609446235.db2.gz PQRHAGQAWFBUJP-UHFFFAOYSA-N -1 3 303.757 2.526 20 0 DFADHM COC(=O)[C@@H](CC(C)(C)C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000826103432 609448405 /nfs/dbraw/zinc/44/84/05/609448405.db2.gz GOJZTAIDFSJCPL-GFCCVEGCSA-N -1 3 320.418 2.937 20 0 DFADHM COC(=O)[C@@H](CC(C)(C)C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000826103432 609448407 /nfs/dbraw/zinc/44/84/07/609448407.db2.gz GOJZTAIDFSJCPL-GFCCVEGCSA-N -1 3 320.418 2.937 20 0 DFADHM CCc1nnc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000825767089 609475867 /nfs/dbraw/zinc/47/58/67/609475867.db2.gz HEBGFSDACCFKRY-UHFFFAOYSA-N -1 3 321.797 2.546 20 0 DFADHM CCc1nnc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000825767089 609475869 /nfs/dbraw/zinc/47/58/69/609475869.db2.gz HEBGFSDACCFKRY-UHFFFAOYSA-N -1 3 321.797 2.546 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)ncn2C ZINC000826278425 609482253 /nfs/dbraw/zinc/48/22/53/609482253.db2.gz BKVFOQBFYKELEU-UHFFFAOYSA-N -1 3 319.372 2.674 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)ncn2C ZINC000826278425 609482254 /nfs/dbraw/zinc/48/22/54/609482254.db2.gz BKVFOQBFYKELEU-UHFFFAOYSA-N -1 3 319.372 2.674 20 0 DFADHM CCc1ncc(CNc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000825750448 609485314 /nfs/dbraw/zinc/48/53/14/609485314.db2.gz QUAFMPAMQZKEFW-UHFFFAOYSA-N -1 3 300.391 2.806 20 0 DFADHM CCc1ncc(CNc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000825750448 609485316 /nfs/dbraw/zinc/48/53/16/609485316.db2.gz QUAFMPAMQZKEFW-UHFFFAOYSA-N -1 3 300.391 2.806 20 0 DFADHM C[C@H]1CCC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000824925174 609491721 /nfs/dbraw/zinc/49/17/21/609491721.db2.gz BETZDDJAAUFGBW-CMPLNLGQSA-N -1 3 316.409 2.798 20 0 DFADHM C[C@H]1CCC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000824925174 609491724 /nfs/dbraw/zinc/49/17/24/609491724.db2.gz BETZDDJAAUFGBW-CMPLNLGQSA-N -1 3 316.409 2.798 20 0 DFADHM C[C@@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826231655 609495562 /nfs/dbraw/zinc/49/55/62/609495562.db2.gz ULAUUBRAKBPAAE-GFCCVEGCSA-N -1 3 307.357 2.633 20 0 DFADHM C[C@@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826231655 609495565 /nfs/dbraw/zinc/49/55/65/609495565.db2.gz ULAUUBRAKBPAAE-GFCCVEGCSA-N -1 3 307.357 2.633 20 0 DFADHM C[C@H]1CCC[C@H]1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824926681 609506002 /nfs/dbraw/zinc/50/60/02/609506002.db2.gz LAGCOOBZJPFMNB-GXSJLCMTSA-N -1 3 319.796 2.919 20 0 DFADHM C[C@H]1CCC[C@H]1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824926681 609506003 /nfs/dbraw/zinc/50/60/03/609506003.db2.gz LAGCOOBZJPFMNB-GXSJLCMTSA-N -1 3 319.796 2.919 20 0 DFADHM C[C@@H]1CCc2c(sc(NC(=O)C3=CCC3)c2-c2nnn[n-]2)C1 ZINC000824967057 609507623 /nfs/dbraw/zinc/50/76/23/609507623.db2.gz HGKNKERRIRSUSJ-MRVPVSSYSA-N -1 3 315.402 2.712 20 0 DFADHM C[C@@H]1CCc2c(sc(NC(=O)C3=CCC3)c2-c2nn[n-]n2)C1 ZINC000824967057 609507624 /nfs/dbraw/zinc/50/76/24/609507624.db2.gz HGKNKERRIRSUSJ-MRVPVSSYSA-N -1 3 315.402 2.712 20 0 DFADHM Cc1cccc(OCCCNc2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826300257 609524650 /nfs/dbraw/zinc/52/46/50/609524650.db2.gz NQWFKHHPCOCCRM-UHFFFAOYSA-N -1 3 324.388 2.760 20 0 DFADHM Cc1cccc(OCCCNc2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826300257 609524652 /nfs/dbraw/zinc/52/46/52/609524652.db2.gz NQWFKHHPCOCCRM-UHFFFAOYSA-N -1 3 324.388 2.760 20 0 DFADHM Cc1nc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cs1 ZINC000826326214 609536835 /nfs/dbraw/zinc/53/68/35/609536835.db2.gz GLZLBYRHFMYEGO-UHFFFAOYSA-N -1 3 321.797 2.601 20 0 DFADHM Cc1nc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cs1 ZINC000826326214 609536836 /nfs/dbraw/zinc/53/68/36/609536836.db2.gz GLZLBYRHFMYEGO-UHFFFAOYSA-N -1 3 321.797 2.601 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC000826238145 609548389 /nfs/dbraw/zinc/54/83/89/609548389.db2.gz XLZLDZXAVNUJPC-NSHDSACASA-N -1 3 304.785 2.602 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC000826238145 609548392 /nfs/dbraw/zinc/54/83/92/609548392.db2.gz XLZLDZXAVNUJPC-NSHDSACASA-N -1 3 304.785 2.602 20 0 DFADHM Cc1ccnc(N[C@H]2c3ccccc3C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826312712 609552353 /nfs/dbraw/zinc/55/23/53/609552353.db2.gz MOALJJISYGBYGG-XHDPSFHLSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccnc(N[C@H]2c3ccccc3C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826312712 609552355 /nfs/dbraw/zinc/55/23/55/609552355.db2.gz MOALJJISYGBYGG-XHDPSFHLSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccnc(N2CCC[C@@]3(CC=CCC3)C2)c1-c1nnn[n-]1 ZINC000826311255 609554366 /nfs/dbraw/zinc/55/43/66/609554366.db2.gz YKYCDGXSGZSKHI-KRWDZBQOSA-N -1 3 310.405 2.897 20 0 DFADHM Cc1ccnc(N2CCC[C@@]3(CC=CCC3)C2)c1-c1nn[n-]n1 ZINC000826311255 609554368 /nfs/dbraw/zinc/55/43/68/609554368.db2.gz YKYCDGXSGZSKHI-KRWDZBQOSA-N -1 3 310.405 2.897 20 0 DFADHM Cc1ccnc(N2CC[C@H](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826310161 609560248 /nfs/dbraw/zinc/56/02/48/609560248.db2.gz NCSQVUCIAKPIEH-OAHLLOKOSA-N -1 3 320.400 2.639 20 0 DFADHM Cc1ccnc(N2CC[C@H](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826310161 609560250 /nfs/dbraw/zinc/56/02/50/609560250.db2.gz NCSQVUCIAKPIEH-OAHLLOKOSA-N -1 3 320.400 2.639 20 0 DFADHM CS[C@H]1CC[C@@H](Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000826227396 609561441 /nfs/dbraw/zinc/56/14/41/609561441.db2.gz QGTSFDOFGGHEDW-BDAKNGLRSA-N -1 3 324.841 2.920 20 0 DFADHM CS[C@H]1CC[C@@H](Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000826227396 609561442 /nfs/dbraw/zinc/56/14/42/609561442.db2.gz QGTSFDOFGGHEDW-BDAKNGLRSA-N -1 3 324.841 2.920 20 0 DFADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCCOC1 ZINC000824650861 609561805 /nfs/dbraw/zinc/56/18/05/609561805.db2.gz VBBHUYYFWLJHBR-VHSXEESVSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCCOC1 ZINC000824650861 609561807 /nfs/dbraw/zinc/56/18/07/609561807.db2.gz VBBHUYYFWLJHBR-VHSXEESVSA-N -1 3 307.785 2.747 20 0 DFADHM Cc1c(Cl)cnc(Oc2cccnc2F)c1-c1nnn[n-]1 ZINC000826241257 609572221 /nfs/dbraw/zinc/57/22/21/609572221.db2.gz WXYMWGFVJXIHEJ-UHFFFAOYSA-N -1 3 306.688 2.550 20 0 DFADHM CC[C@@]1(C)CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000825164704 609575151 /nfs/dbraw/zinc/57/51/51/609575151.db2.gz GWVAQQXORBLSFF-AWEZNQCLSA-N -1 3 306.801 2.850 20 0 DFADHM CC[C@@]1(C)CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000825164704 609575152 /nfs/dbraw/zinc/57/51/52/609575152.db2.gz GWVAQQXORBLSFF-AWEZNQCLSA-N -1 3 306.801 2.850 20 0 DFADHM C(=C/[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)\c1ccccc1 ZINC000823861304 609577494 /nfs/dbraw/zinc/57/74/94/609577494.db2.gz DBRMWLHWAASEKW-XVJNWHFHSA-N -1 3 318.384 2.944 20 0 DFADHM C(=C/[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)\c1ccccc1 ZINC000823861304 609577495 /nfs/dbraw/zinc/57/74/95/609577495.db2.gz DBRMWLHWAASEKW-XVJNWHFHSA-N -1 3 318.384 2.944 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1NCC[C@@H]1CCCCO1 ZINC000826352887 609581573 /nfs/dbraw/zinc/58/15/73/609581573.db2.gz RKUZBTOBIKUHDX-JTQLQIEISA-N -1 3 307.785 2.891 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1NCC[C@@H]1CCCCO1 ZINC000826352887 609581574 /nfs/dbraw/zinc/58/15/74/609581574.db2.gz RKUZBTOBIKUHDX-JTQLQIEISA-N -1 3 307.785 2.891 20 0 DFADHM CC[C@@H](Nc1nccc(C)c1-c1nnn[n-]1)c1c(C)noc1C ZINC000825146308 609581908 /nfs/dbraw/zinc/58/19/08/609581908.db2.gz BZRHWRXUROCJLN-LLVKDONJSA-N -1 3 313.365 2.738 20 0 DFADHM CC[C@@H](Nc1nccc(C)c1-c1nn[n-]n1)c1c(C)noc1C ZINC000825146308 609581910 /nfs/dbraw/zinc/58/19/10/609581910.db2.gz BZRHWRXUROCJLN-LLVKDONJSA-N -1 3 313.365 2.738 20 0 DFADHM Cc1ccnc(NCCC2Cc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826313969 609582003 /nfs/dbraw/zinc/58/20/03/609582003.db2.gz ZXJFBMSMFFKYMC-UHFFFAOYSA-N -1 3 320.400 2.787 20 0 DFADHM Cc1ccnc(NCCC2Cc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826313969 609582004 /nfs/dbraw/zinc/58/20/04/609582004.db2.gz ZXJFBMSMFFKYMC-UHFFFAOYSA-N -1 3 320.400 2.787 20 0 DFADHM c1ccc2nc(NCC[C@H]3CCCCO3)c(-c3nnn[n-]3)cc2c1 ZINC000826524031 609582247 /nfs/dbraw/zinc/58/22/47/609582247.db2.gz GGHMBZKNDFTVHX-CYBMUJFWSA-N -1 3 324.388 2.786 20 0 DFADHM c1ccc2nc(NCC[C@H]3CCCCO3)c(-c3nn[n-]n3)cc2c1 ZINC000826524031 609582249 /nfs/dbraw/zinc/58/22/49/609582249.db2.gz GGHMBZKNDFTVHX-CYBMUJFWSA-N -1 3 324.388 2.786 20 0 DFADHM Cc1c(Cl)cnc(NCCCCOC(C)C)c1-c1nnn[n-]1 ZINC000826240057 609587244 /nfs/dbraw/zinc/58/72/44/609587244.db2.gz ZKZADIKQAKVSAW-UHFFFAOYSA-N -1 3 324.816 2.841 20 0 DFADHM Cc1c(Cl)cnc(NCCCCOC(C)C)c1-c1nn[n-]n1 ZINC000826240057 609587246 /nfs/dbraw/zinc/58/72/46/609587246.db2.gz ZKZADIKQAKVSAW-UHFFFAOYSA-N -1 3 324.816 2.841 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825053007 609589175 /nfs/dbraw/zinc/58/91/75/609589175.db2.gz ZKONGUNAFVJHSG-NWDGAFQWSA-N -1 3 301.394 2.902 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825053007 609589176 /nfs/dbraw/zinc/58/91/76/609589176.db2.gz ZKONGUNAFVJHSG-NWDGAFQWSA-N -1 3 301.394 2.902 20 0 DFADHM CS[C@H](CNc1nccc(C)c1-c1nnn[n-]1)C(C)(C)C ZINC000826226240 609591554 /nfs/dbraw/zinc/59/15/54/609591554.db2.gz VMRKEPZKKRNUIG-SNVBAGLBSA-N -1 3 306.439 2.760 20 0 DFADHM CS[C@H](CNc1nccc(C)c1-c1nn[n-]n1)C(C)(C)C ZINC000826226240 609591556 /nfs/dbraw/zinc/59/15/56/609591556.db2.gz VMRKEPZKKRNUIG-SNVBAGLBSA-N -1 3 306.439 2.760 20 0 DFADHM C[C@H]1C[C@H](C(=O)N(C)c2ccccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824875278 609594893 /nfs/dbraw/zinc/59/48/93/609594893.db2.gz KNWMSKFPGOQZPQ-ITGUQSILSA-N -1 3 313.405 2.902 20 0 DFADHM C[C@H]1C[C@H](C(=O)N(C)c2ccccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824875278 609594896 /nfs/dbraw/zinc/59/48/96/609594896.db2.gz KNWMSKFPGOQZPQ-ITGUQSILSA-N -1 3 313.405 2.902 20 0 DFADHM C[C@H]1C[C@@H](CCNc2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824885928 609596659 /nfs/dbraw/zinc/59/66/59/609596659.db2.gz VFEGLKCDJTWPFG-QWRGUYRKSA-N -1 3 305.357 2.623 20 0 DFADHM C[C@H]1C[C@@H](CCNc2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824885928 609596660 /nfs/dbraw/zinc/59/66/60/609596660.db2.gz VFEGLKCDJTWPFG-QWRGUYRKSA-N -1 3 305.357 2.623 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@@H](C(C)(C)C)C2)n1 ZINC000826262374 609602649 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CC[C@H](C)CO[N-]C(=O)Nc1cc(COC)cc(C(=O)OC)c1 ZINC000297463045 529670996 /nfs/dbraw/zinc/67/09/96/529670996.db2.gz RLNQJEVQYZFOEE-NSHDSACASA-N -1 3 324.377 2.719 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000296753045 529671044 /nfs/dbraw/zinc/67/10/44/529671044.db2.gz IIPUUOUNAYYAJO-NSHDSACASA-N -1 3 303.366 2.581 20 0 DFADHM Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1F ZINC000011610415 398384078 /nfs/dbraw/zinc/38/40/78/398384078.db2.gz UTXMGOZPWIPUOL-UHFFFAOYSA-N -1 3 322.361 2.758 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000332019618 529691471 /nfs/dbraw/zinc/69/14/71/529691471.db2.gz XUKZNHLYSYJBEI-WBVHZDCISA-N -1 3 311.381 2.903 20 0 DFADHM COCCC1(C[N-]S(=O)(=O)c2cccc(C)c2F)CCC1 ZINC000181373990 199286743 /nfs/dbraw/zinc/28/67/43/199286743.db2.gz ANPHQYDNEQYUHP-UHFFFAOYSA-N -1 3 315.410 2.619 20 0 DFADHM O=c1cc(CN[C@@H](CCCO)c2ccccc2)nc(C2CC2)[n-]1 ZINC000459384332 299092583 /nfs/dbraw/zinc/09/25/83/299092583.db2.gz 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CC1(C)SC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000338431146 284112047 /nfs/dbraw/zinc/11/20/47/284112047.db2.gz OZCQTJDJRLNLQV-SNVBAGLBSA-N -1 3 309.815 2.651 20 0 DFADHM COC[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(C)C ZINC000621882293 399105139 /nfs/dbraw/zinc/10/51/39/399105139.db2.gz JMCRJQHXAGRQFB-GFCCVEGCSA-N -1 3 305.296 2.812 20 0 DFADHM CCC1(CC)CCN(C(=O)CNC(=O)c2cccc([O-])c2)CC1 ZINC000275109488 212125443 /nfs/dbraw/zinc/12/54/43/212125443.db2.gz GUEUAVYEWOFSRN-UHFFFAOYSA-N -1 3 318.417 2.551 20 0 DFADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccs2)C12CCCC2 ZINC000174030119 399105558 /nfs/dbraw/zinc/10/55/58/399105558.db2.gz TYJDOIBQMINLGP-RYUDHWBXSA-N -1 3 315.460 2.764 20 0 DFADHM C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000621883604 399107735 /nfs/dbraw/zinc/10/77/35/399107735.db2.gz QSPQNZYSEICUAW-IUCAKERBSA-N -1 3 303.280 2.566 20 0 DFADHM O=c1cc(CN2CCSC[C@H]2C2CCC2)nc(C2CC2)[n-]1 ZINC000419380094 296138035 /nfs/dbraw/zinc/13/80/35/296138035.db2.gz 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/nfs/dbraw/zinc/11/55/37/399115537.db2.gz RIZZVKZTLWWHCZ-ZDUSSCGKSA-N -1 3 315.369 2.736 20 0 DFADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c[n-]c2=O)C1(CC)CC ZINC000621905002 399115878 /nfs/dbraw/zinc/11/58/78/399115878.db2.gz JTMKYVPCNNKUCE-KGLIPLIRSA-N -1 3 324.396 2.982 20 0 DFADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)c[n-]c2=O)C1(CC)CC ZINC000621905004 399115892 /nfs/dbraw/zinc/11/58/92/399115892.db2.gz JTMKYVPCNNKUCE-ZIAGYGMSSA-N -1 3 324.396 2.982 20 0 DFADHM CCOC(=O)c1sc([N-]C(=O)c2ocnc2C)nc1C(C)C ZINC000339988712 284148824 /nfs/dbraw/zinc/14/88/24/284148824.db2.gz SIBHCIHFQFLJEH-UHFFFAOYSA-N -1 3 323.374 2.992 20 0 DFADHM CO[C@H]1C[C@@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1(C)C ZINC000621905521 399116959 /nfs/dbraw/zinc/11/69/59/399116959.db2.gz DKXZNTVVQRIMFS-NEPJUHHUSA-N -1 3 317.307 2.954 20 0 DFADHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000621907877 399118734 /nfs/dbraw/zinc/11/87/34/399118734.db2.gz FDFISJNBWJDLDD-LLVKDONJSA-N -1 3 304.296 2.695 20 0 DFADHM C[C@@H]1[C@H](C)OCCN1Cc1cc([O-])ccc1Br ZINC000093418492 193248536 /nfs/dbraw/zinc/24/85/36/193248536.db2.gz AJDZSUJFOMQCRE-ZJUUUORDSA-N -1 3 300.196 2.764 20 0 DFADHM CCC(CC)NC(=O)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419599779 296146012 /nfs/dbraw/zinc/14/60/12/296146012.db2.gz FYZAQVBSLRTSFG-JTQLQIEISA-N -1 3 323.462 2.986 20 0 DFADHM CCCNC(=O)CCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419582691 296145463 /nfs/dbraw/zinc/14/54/63/296145463.db2.gz GDPROPRNDYHAST-UHFFFAOYSA-N -1 3 309.435 2.599 20 0 DFADHM CCOC(=O)c1oc2ccccc2c1CN(CC)[C@@H](C)C(=O)[O-] ZINC000595885265 399123090 /nfs/dbraw/zinc/12/30/90/399123090.db2.gz SMPQJMOSUCSGBT-NSHDSACASA-N -1 3 319.357 2.905 20 0 DFADHM Cc1ccc([O-])c(CN2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000093637976 193278624 /nfs/dbraw/zinc/27/86/24/193278624.db2.gz UXVORRZBYPPXAG-LJQANCHMSA-N -1 3 310.397 2.770 20 0 DFADHM [O-]c1ccc(Br)c(CN2CCOC[C@H]2C2CC2)c1 ZINC000093645730 193282964 /nfs/dbraw/zinc/28/29/64/193282964.db2.gz YMJVOCCSXUZKDJ-AWEZNQCLSA-N -1 3 312.207 2.766 20 0 DFADHM Cc1ccc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)o1 ZINC000419753194 296148086 /nfs/dbraw/zinc/14/80/86/296148086.db2.gz NGSNGQHMJILSRR-UHFFFAOYSA-N -1 3 324.377 2.780 20 0 DFADHM Cc1nccn1-c1ncccc1NC(=O)c1cc(C)ccc1[O-] ZINC000094017788 193339019 /nfs/dbraw/zinc/33/90/19/193339019.db2.gz DKIWNKWNPSKBPY-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM Cc1nccn1-c1ncccc1NC(=O)c1cccc(C)c1[O-] ZINC000094017781 193339285 /nfs/dbraw/zinc/33/92/85/193339285.db2.gz RBSSSRFRGLIKNV-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM CCC(CC)(NCc1csc(-c2ccccn2)n1)C(=O)[O-] ZINC000094242794 193354865 /nfs/dbraw/zinc/35/48/65/193354865.db2.gz XSTKJKHDMRXFQO-UHFFFAOYSA-N -1 3 305.403 2.938 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCCc3ccoc3)c([O-])c2O1 ZINC000618476474 399128567 /nfs/dbraw/zinc/12/85/67/399128567.db2.gz RIZRSLNTNIUZCA-UHFFFAOYSA-N -1 3 301.342 2.671 20 0 DFADHM COC[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000621927950 399128827 /nfs/dbraw/zinc/12/88/27/399128827.db2.gz KGJPCYXTWWUDQW-LBPRGKRZSA-N -1 3 303.280 2.566 20 0 DFADHM CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621931553 399130039 /nfs/dbraw/zinc/13/00/39/399130039.db2.gz AIPPUNQFABKAPB-TVQRCGJNSA-N -1 3 317.307 2.644 20 0 DFADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNC1(C(=O)[O-])CC1 ZINC000340670694 284205182 /nfs/dbraw/zinc/20/51/82/284205182.db2.gz AQAWICADOFHKRM-UHFFFAOYSA-N -1 3 305.765 2.541 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@H](CO)CC(C)C)c[n-]c12 ZINC000274959275 212043105 /nfs/dbraw/zinc/04/31/05/212043105.db2.gz PICOFAAUYVOWCF-ZDUSSCGKSA-N -1 3 316.401 2.728 20 0 DFADHM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCO1 ZINC000621940485 399133894 /nfs/dbraw/zinc/13/38/94/399133894.db2.gz PLBPLZJEZUVCGY-KWQFWETISA-N -1 3 303.280 2.708 20 0 DFADHM CC(C)[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CCO1 ZINC000621946072 399137811 /nfs/dbraw/zinc/13/78/11/399137811.db2.gz HPIYXAXEVPFJCU-CYBMUJFWSA-N -1 3 317.307 2.908 20 0 DFADHM C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@H]1CCCOC1 ZINC000621948405 399138884 /nfs/dbraw/zinc/13/88/84/399138884.db2.gz YOHOOMGLBLRKEX-UWVGGRQHSA-N -1 3 317.307 2.956 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2Cc3ccccc3[C@@H]2C)c(=O)[n-]1 ZINC000341038605 284232349 /nfs/dbraw/zinc/23/23/49/284232349.db2.gz IJPOJBRICTVMDR-LBPRGKRZSA-N -1 3 311.385 2.835 20 0 DFADHM CCc1c([N-]C(=O)c2cc(OC)ns2)onc1C(F)(F)F ZINC000621958724 399144288 /nfs/dbraw/zinc/14/42/88/399144288.db2.gz VNMCQTHFFLCHGG-UHFFFAOYSA-N -1 3 321.280 2.973 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621962778 399146430 /nfs/dbraw/zinc/14/64/30/399146430.db2.gz ZVRLZYVJDCVXBJ-NOZJJQNGSA-N -1 3 317.307 2.692 20 0 DFADHM CO[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC[C@@H]1C ZINC000621967172 399148470 /nfs/dbraw/zinc/14/84/70/399148470.db2.gz ZPVDLFZRPSKCSK-TVQRCGJNSA-N -1 3 317.307 2.908 20 0 DFADHM CCC[C@@H]1C[C@@H]1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000080491785 399153475 /nfs/dbraw/zinc/15/34/75/399153475.db2.gz UEPHCAWENFCIIW-NEPJUHHUSA-N -1 3 310.419 2.741 20 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2.606 20 0 DFADHM CCc1cc(C[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)on1 ZINC000607362343 399162184 /nfs/dbraw/zinc/16/21/84/399162184.db2.gz LNQQWGXQSAOSJR-UHFFFAOYSA-N -1 3 322.430 2.949 20 0 DFADHM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ncccc1[O-] ZINC000341890792 284284708 /nfs/dbraw/zinc/28/47/08/284284708.db2.gz QRLHXXVODAPDCT-SNVBAGLBSA-N -1 3 302.305 2.774 20 0 DFADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000341893649 284286075 /nfs/dbraw/zinc/28/60/75/284286075.db2.gz DMWNJPICWZSWGK-VIFPVBQESA-N -1 3 311.325 2.541 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)s1 ZINC000341893442 284285675 /nfs/dbraw/zinc/28/56/75/284285675.db2.gz VXTNHKXEWDJLCN-OTYXRUKQSA-N -1 3 324.427 2.506 20 0 DFADHM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ncccc1[O-] ZINC000341905891 284286982 /nfs/dbraw/zinc/28/69/82/284286982.db2.gz XFBOGLTYRSAILJ-UHFFFAOYSA-N -1 3 318.402 2.983 20 0 DFADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cncs1 ZINC000341927605 284293367 /nfs/dbraw/zinc/29/33/67/284293367.db2.gz 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Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](C)c2ccccc2)s1 ZINC000352068624 286284417 /nfs/dbraw/zinc/28/44/17/286284417.db2.gz RJBCGBZGXFKWCK-JTQLQIEISA-N -1 3 310.444 2.842 20 0 DFADHM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1csc(=O)[n-]1 ZINC000352056357 286281498 /nfs/dbraw/zinc/28/14/98/286281498.db2.gz BTYXJLPSKBAHGX-INIZCTEOSA-N -1 3 320.414 2.652 20 0 DFADHM CO[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C1CC1 ZINC000352057462 286281735 /nfs/dbraw/zinc/28/17/35/286281735.db2.gz KOYONBLXOOCHST-NSHDSACASA-N -1 3 305.252 2.654 20 0 DFADHM CO[C@H](C)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000427669917 296664048 /nfs/dbraw/zinc/66/40/48/296664048.db2.gz BIQAWMUBVHTSHH-ZCFIWIBFSA-N -1 3 315.123 2.671 20 0 DFADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)C[C@@H]1C ZINC000352133836 286300848 /nfs/dbraw/zinc/30/08/48/286300848.db2.gz KFJIDNCMQRWDJZ-SCVCMEIPSA-N -1 3 302.827 2.838 20 0 DFADHM CCN(CC)S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000352194630 286316295 /nfs/dbraw/zinc/31/62/95/286316295.db2.gz XNCZRVFTPVBCLV-UHFFFAOYSA-N 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/nfs/dbraw/zinc/39/44/19/286394419.db2.gz APLYICNWWQQMML-LBPRGKRZSA-N -1 3 302.349 2.811 20 0 DFADHM O=C(NCc1ncccc1[O-])c1cc(C(F)(F)F)ccc1F ZINC000352515938 286394640 /nfs/dbraw/zinc/39/46/40/286394640.db2.gz IZKJMFHBOMQNJN-UHFFFAOYSA-N -1 3 314.238 2.875 20 0 DFADHM CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ncccc1[O-] ZINC000352517357 286395106 /nfs/dbraw/zinc/39/51/06/286395106.db2.gz PKHLBTILKKIYKU-CQSZACIVSA-N -1 3 320.776 2.914 20 0 DFADHM C[C@@H](SCc1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000352517845 286395411 /nfs/dbraw/zinc/39/54/11/286395411.db2.gz SWTDRNZBXDGITD-GFCCVEGCSA-N -1 3 302.399 2.725 20 0 DFADHM O=C(NCc1ncccc1[O-])c1c[nH]cc1-c1ccccc1F ZINC000352518301 286395688 /nfs/dbraw/zinc/39/56/88/286395688.db2.gz WNUOARHRTISORY-UHFFFAOYSA-N -1 3 311.316 2.851 20 0 DFADHM CCCN(CC)c1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000352518855 286396009 /nfs/dbraw/zinc/39/60/09/286396009.db2.gz ZYXUYJXLCZAFMC-UHFFFAOYSA-N -1 3 313.401 2.954 20 0 DFADHM O=C(Cc1cc(Cl)ccc1Cl)NCc1ncccc1[O-] ZINC000352506608 286391940 /nfs/dbraw/zinc/39/19/40/286391940.db2.gz HOSGRZIHXJTKGL-UHFFFAOYSA-N -1 3 311.168 2.953 20 0 DFADHM O=C(NCc1ncccc1[O-])C1(c2cccc(Cl)c2)CC1 ZINC000352506159 286391988 /nfs/dbraw/zinc/39/19/88/286391988.db2.gz DZTCGVFMELQLBY-UHFFFAOYSA-N -1 3 302.761 2.789 20 0 DFADHM O=C(CCc1cncc2ccccc21)NCc1ncccc1[O-] ZINC000352508498 286392584 /nfs/dbraw/zinc/39/25/84/286392584.db2.gz NAVALHGEWWREEO-UHFFFAOYSA-N -1 3 307.353 2.584 20 0 DFADHM Cc1cc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)[n-]c(=O)n1 ZINC000352529049 286399044 /nfs/dbraw/zinc/39/90/44/286399044.db2.gz ARVNPEKPPMJNIV-OCCSQVGLSA-N -1 3 315.348 2.696 20 0 DFADHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1cc(F)cc(Cl)c1 ZINC000452017364 297913830 /nfs/dbraw/zinc/91/38/30/297913830.db2.gz MZHQHHDXYPKGOE-SNVBAGLBSA-N -1 3 321.801 2.574 20 0 DFADHM Cc1cc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)on1 ZINC000352639990 286427804 /nfs/dbraw/zinc/42/78/04/286427804.db2.gz NTCWFWVABGBJNK-UHFFFAOYSA-N -1 3 320.823 2.527 20 0 DFADHM CCOc1cc(O)ccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000493377387 299768489 /nfs/dbraw/zinc/76/84/89/299768489.db2.gz BADBFANJFPFZBB-UTCJRWHESA-N -1 3 300.314 2.543 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)s2)c1 ZINC000353308627 286608079 /nfs/dbraw/zinc/60/80/79/286608079.db2.gz BFDNNHDHDMICTF-MRVPVSSYSA-N -1 3 319.839 2.657 20 0 DFADHM COC(=O)[C@@H](C)[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000182549760 158005043 /nfs/dbraw/zinc/00/50/43/158005043.db2.gz WXWZVXXDKSUXEV-BLLLJJGKSA-N -1 3 313.353 2.672 20 0 DFADHM COc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1CO ZINC000182834587 158008332 /nfs/dbraw/zinc/00/83/32/158008332.db2.gz UYIRQBRPPVNBGZ-UHFFFAOYSA-N -1 3 321.760 2.728 20 0 DFADHM COc1nnc(NC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)[n-]1 ZINC000183000334 158012687 /nfs/dbraw/zinc/01/26/87/158012687.db2.gz RCDXWWVMJDDXQI-CHWSQXEVSA-N -1 3 324.425 2.908 20 0 DFADHM COc1nc(NC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)n[n-]1 ZINC000183000334 158012688 /nfs/dbraw/zinc/01/26/88/158012688.db2.gz RCDXWWVMJDDXQI-CHWSQXEVSA-N -1 3 324.425 2.908 20 0 DFADHM COc1n[n-]c(NC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)n1 ZINC000183000334 158012689 /nfs/dbraw/zinc/01/26/89/158012689.db2.gz RCDXWWVMJDDXQI-CHWSQXEVSA-N -1 3 324.425 2.908 20 0 DFADHM Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)c2cccc([O-])c2)cc1F ZINC000184046540 158026821 /nfs/dbraw/zinc/02/68/21/158026821.db2.gz DPARSLJNLZKDNK-RKFFSXRUSA-N -1 3 321.373 2.975 20 0 DFADHM CCN1C(=O)CCc2cc(NC(=O)c3cccc([O-])c3)ccc21 ZINC000184986999 158042166 /nfs/dbraw/zinc/04/21/66/158042166.db2.gz SJYFJUYQLMLIMS-UHFFFAOYSA-N -1 3 310.353 2.944 20 0 DFADHM CC(C)c1nc2n(n1)CCC[C@H]2NCc1cc([O-])cc(F)c1 ZINC000185571989 158064155 /nfs/dbraw/zinc/06/41/55/158064155.db2.gz HYPIFCUONHVRKV-CQSZACIVSA-N -1 3 304.369 2.871 20 0 DFADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cn(-c2ccccc2)nn1 ZINC000185576876 158064380 /nfs/dbraw/zinc/06/43/80/158064380.db2.gz XMGPQEZTKQLKCI-LBPRGKRZSA-N -1 3 312.348 2.963 20 0 DFADHM C[C@H](NC(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000248231039 158165538 /nfs/dbraw/zinc/16/55/38/158165538.db2.gz BPKUHNKJGOADSX-QMMMGPOBSA-N -1 3 324.789 2.864 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)ccc1[O-] ZINC000353903354 158232745 /nfs/dbraw/zinc/23/27/45/158232745.db2.gz PNEAUKXDJVMCTM-OYHNWAKOSA-N -1 3 317.410 2.550 20 0 DFADHM COc1cc(C)ccc1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000355036941 158258377 /nfs/dbraw/zinc/25/83/77/158258377.db2.gz PLQSEWGJVLFHCB-UHFFFAOYSA-N -1 3 322.368 2.719 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCN(c3ccccc3)[C@H]2C)n1 ZINC000356946164 158329117 /nfs/dbraw/zinc/32/91/17/158329117.db2.gz YTKDDZDVLRAONT-ZFWWWQNUSA-N -1 3 311.385 2.949 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000356982079 158337633 /nfs/dbraw/zinc/33/76/33/158337633.db2.gz KUVFIGZERPXMCQ-SFHVURJKSA-N -1 3 324.380 2.568 20 0 DFADHM C[C@@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000358402877 158378291 /nfs/dbraw/zinc/37/82/91/158378291.db2.gz UOUGZYJXYUNYBC-VXGBXAGGSA-N -1 3 300.399 2.715 20 0 DFADHM Cc1c(COc2ccccc2)cccc1NC(=O)c1nc[n-]n1 ZINC000358566130 158390739 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CS[C@H]1CCCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000128890506 196000426 /nfs/dbraw/zinc/00/04/26/196000426.db2.gz DGYFEWMUOPXVML-LBPRGKRZSA-N -1 3 312.410 2.958 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000457943167 298830902 /nfs/dbraw/zinc/83/09/02/298830902.db2.gz BKRXDVLUBGOWPA-DZGCQCFKSA-N -1 3 321.804 2.616 20 0 DFADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)CCC(C)(C)C)c(=O)[n-]1 ZINC000130735395 196105074 /nfs/dbraw/zinc/10/50/74/196105074.db2.gz UCHWWKXECQQMSE-NSHDSACASA-N -1 3 307.438 2.650 20 0 DFADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2ncccc2C)cc1 ZINC000131612085 196184709 /nfs/dbraw/zinc/18/47/09/196184709.db2.gz OWRPZKYYZYQKRW-UHFFFAOYSA-N -1 3 306.312 2.807 20 0 DFADHM O=C(Cc1cnc2ccccc2c1)NCc1ccc([O-])c(F)c1 ZINC000131758675 196196619 /nfs/dbraw/zinc/19/66/19/196196619.db2.gz FPCHTPJPCACSRJ-UHFFFAOYSA-N -1 3 310.328 2.938 20 0 DFADHM CCc1ccc([O-])c(C(=O)N(C)Cc2nccn2C(F)F)c1 ZINC000132487928 196259519 /nfs/dbraw/zinc/25/95/19/196259519.db2.gz SXSLMZPRAUWBJF-UHFFFAOYSA-N -1 3 309.316 2.818 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2ccc(Cn3cncn3)cc2)c1 ZINC000132524101 196262472 /nfs/dbraw/zinc/26/24/72/196262472.db2.gz WNIMIOPJHAMWRG-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM Cc1ccc(Cl)cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000132530855 196263650 /nfs/dbraw/zinc/26/36/50/196263650.db2.gz HUEQDWRYOCZDQX-UHFFFAOYSA-N -1 3 316.748 2.888 20 0 DFADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000271635002 209079502 /nfs/dbraw/zinc/07/95/02/209079502.db2.gz FUMVTWWVCALEMA-UWVGGRQHSA-N -1 3 323.867 2.883 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C1CCOCC1 ZINC000132990540 196302641 /nfs/dbraw/zinc/30/26/41/196302641.db2.gz DPBWJNRSQVKTHU-VIFPVBQESA-N -1 3 321.801 2.573 20 0 DFADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000133428306 196330399 /nfs/dbraw/zinc/33/03/99/196330399.db2.gz OJHLISXLSJEVRC-UHFFFAOYSA-N -1 3 324.229 2.887 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000133215585 196321639 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CSc1nc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)n[n-]1 ZINC000667618743 543642552 /nfs/dbraw/zinc/64/25/52/543642552.db2.gz HATDVRGSIDWBCT-RDDDGLTNSA-N -1 3 302.350 2.681 20 0 DFADHM O=C(CCc1cccc(F)c1Br)[N-]OCC1CC1 ZINC000295710517 225150462 /nfs/dbraw/zinc/15/04/62/225150462.db2.gz YJOUXQBCVYSOBS-UHFFFAOYSA-N -1 3 316.170 2.979 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CCCN(C(C)C)CC2)c1 ZINC000668101307 543740104 /nfs/dbraw/zinc/74/01/04/543740104.db2.gz MWAVOYFYRGVALR-UHFFFAOYSA-N -1 3 308.447 2.670 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@H](C)OCc2ccc(F)cc2)n1 ZINC000295745471 225187441 /nfs/dbraw/zinc/18/74/41/225187441.db2.gz YYXWAPDKWLZPHI-NSHDSACASA-N -1 3 304.321 2.779 20 0 DFADHM CCCCCc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)n[nH]1 ZINC000668108287 543741851 /nfs/dbraw/zinc/74/18/51/543741851.db2.gz XEUWWRFGHUWEBF-UHFFFAOYSA-N -1 3 314.349 2.773 20 0 DFADHM CCCCCc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)n[nH]1 ZINC000668108287 543741855 /nfs/dbraw/zinc/74/18/55/543741855.db2.gz XEUWWRFGHUWEBF-UHFFFAOYSA-N -1 3 314.349 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20 0 DFADHM CCC[C@H](C)N1C[C@@H](C(=O)Nc2cc(F)ccc2[O-])CC1=O ZINC000178327614 426606066 /nfs/dbraw/zinc/60/60/66/426606066.db2.gz WYBBTYAULKONAW-QWRGUYRKSA-N -1 3 308.353 2.507 20 0 DFADHM Cc1nc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)n(C)n1 ZINC000186945211 426612122 /nfs/dbraw/zinc/61/21/22/426612122.db2.gz YBEINSMYCZQUAL-UHFFFAOYSA-N -1 3 317.736 2.684 20 0 DFADHM O=[S@](Cc1nc(-c2ccccc2F)no1)c1cccc([O-])c1 ZINC000186951743 426613613 /nfs/dbraw/zinc/61/36/13/426613613.db2.gz JWNJOWRALJRHOX-JOCHJYFZSA-N -1 3 318.329 2.889 20 0 DFADHM Cc1cc(CS(=O)(=O)[N-][C@@H](C)c2cc3ccccc3o2)no1 ZINC000265339988 426622050 /nfs/dbraw/zinc/62/20/50/426622050.db2.gz OMKQLZQNCSLBRS-NSHDSACASA-N -1 3 320.370 2.910 20 0 DFADHM CCOC(=O)C=Cc1ccc(NC([O-])=NOCCSC)cc1 ZINC000280624990 426616949 /nfs/dbraw/zinc/61/69/49/426616949.db2.gz WSBVQXVGEUPDES-RMKNXTFCSA-N -1 3 324.402 2.679 20 0 DFADHM CCOC(=O)C=Cc1ccc(NC(=O)[N-]OCCSC)cc1 ZINC000280624990 426616954 /nfs/dbraw/zinc/61/69/54/426616954.db2.gz 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426669279 /nfs/dbraw/zinc/66/92/79/426669279.db2.gz QRGXYSZJLUQCMA-GDBMZVCRSA-N -1 3 324.428 2.689 20 0 DFADHM O=C1OCCN1c1ccccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000280889297 426677510 /nfs/dbraw/zinc/67/75/10/426677510.db2.gz BNMFVCLUYWORNT-UHFFFAOYSA-N -1 3 322.386 2.843 20 0 DFADHM CC(C)OCCCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000273543564 426681899 /nfs/dbraw/zinc/68/18/99/426681899.db2.gz UCKPVWOHAURPDM-UHFFFAOYSA-N -1 3 324.331 2.894 20 0 DFADHM CC(C)OCCCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000273543564 426681904 /nfs/dbraw/zinc/68/19/04/426681904.db2.gz UCKPVWOHAURPDM-UHFFFAOYSA-N -1 3 324.331 2.894 20 0 DFADHM CC(C)OCCCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000273543564 426681908 /nfs/dbraw/zinc/68/19/08/426681908.db2.gz UCKPVWOHAURPDM-UHFFFAOYSA-N -1 3 324.331 2.894 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2cn(Cc3ccccc3)nn2)c1 ZINC000187020601 426622881 /nfs/dbraw/zinc/62/28/81/426622881.db2.gz RAPVCHIGCGEKET-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM COc1ccccc1-c1noc([C@@H](C)[N-]C(=O)C(C)(F)F)n1 ZINC000289299980 426623071 /nfs/dbraw/zinc/62/30/71/426623071.db2.gz VDZYRLHSOKHPTO-MRVPVSSYSA-N -1 3 311.288 2.578 20 0 DFADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)[N-]OCC(C)C)cc1 ZINC000274146861 426717177 /nfs/dbraw/zinc/71/71/77/426717177.db2.gz FJTVDHWOVAYODP-GFCCVEGCSA-N -1 3 308.378 2.747 20 0 DFADHM CN(CC(=O)[O-])Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000178913498 426718575 /nfs/dbraw/zinc/71/85/75/426718575.db2.gz ZWCIPYGEVOZXOA-UHFFFAOYSA-N -1 3 320.776 2.830 20 0 DFADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000178779129 426694480 /nfs/dbraw/zinc/69/44/80/426694480.db2.gz FGJKNVREKXFWRR-SNVBAGLBSA-N -1 3 323.817 2.555 20 0 DFADHM CCN1C(=O)CCc2cc(NC([O-])=NOC3CCCC3)ccc21 ZINC000273621306 426698492 /nfs/dbraw/zinc/69/84/92/426698492.db2.gz MVYSPTSYVMJHPS-UHFFFAOYSA-N -1 3 317.389 2.981 20 0 DFADHM CCN1C(=O)CCc2cc(NC(=O)[N-]OC3CCCC3)ccc21 ZINC000273621306 426698497 /nfs/dbraw/zinc/69/84/97/426698497.db2.gz MVYSPTSYVMJHPS-UHFFFAOYSA-N -1 3 317.389 2.981 20 0 DFADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000245753474 426770502 /nfs/dbraw/zinc/77/05/02/426770502.db2.gz ZBTVDSJNSWIFLE-JGPRNRPPSA-N -1 3 319.373 2.508 20 0 DFADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)OC1CCCC1 ZINC000290462026 426770592 /nfs/dbraw/zinc/77/05/92/426770592.db2.gz YIJHWEORVSAYMQ-VIFPVBQESA-N -1 3 311.765 2.650 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000179223517 426771393 /nfs/dbraw/zinc/77/13/93/426771393.db2.gz GOBMJRIZTWWEOY-FUHWJXTLSA-N -1 3 310.397 2.876 20 0 DFADHM O=C(NCc1ccc(Cl)cc1F)c1ccc2n[n-]nc2c1 ZINC000188660884 426774756 /nfs/dbraw/zinc/77/47/56/426774756.db2.gz USUBAWLWQPLOMW-UHFFFAOYSA-N -1 3 304.712 2.680 20 0 DFADHM Cc1ccc([O-])c(CN2CCSC[C@H]2c2nccs2)n1 ZINC000274469262 426775507 /nfs/dbraw/zinc/77/55/07/426775507.db2.gz JHPKUHYKSWKQDL-LBPRGKRZSA-N -1 3 307.444 2.842 20 0 DFADHM C[C@@H](c1cccs1)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179435594 426789867 /nfs/dbraw/zinc/78/98/67/426789867.db2.gz OQEICLFOHBDKKW-VIFPVBQESA-N -1 3 316.386 2.569 20 0 DFADHM CCc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)c([O-])c1 ZINC000188675098 426776619 /nfs/dbraw/zinc/77/66/19/426776619.db2.gz ZXWALAXPKCUJKB-UHFFFAOYSA-N -1 3 309.369 2.803 20 0 DFADHM Cc1cccc(C(=O)Nc2cn(Cc3ccccc3)nn2)c1[O-] ZINC000188692874 426778744 /nfs/dbraw/zinc/77/87/44/426778744.db2.gz HNDQSDUHWXDOHN-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM COC(=O)CCCO[N-]C(=O)[C@@H](C)CCCc1ccccc1 ZINC000290514561 426780850 /nfs/dbraw/zinc/78/08/50/426780850.db2.gz FWTFARBLPIQHLV-AWEZNQCLSA-N -1 3 307.390 2.646 20 0 DFADHM C[C@H](C[N-]S(=O)(=O)c1ccco1)Oc1cccc(Cl)c1 ZINC000188728037 426781422 /nfs/dbraw/zinc/78/14/22/426781422.db2.gz MREITBLCTZDHRO-SNVBAGLBSA-N -1 3 315.778 2.679 20 0 DFADHM CN1CC[C@H](NC(=O)c2ccc(F)cc2[O-])[C@H]1c1ccccc1 ZINC000245926184 426781814 /nfs/dbraw/zinc/78/18/14/426781814.db2.gz UFYBJRMCHGOKBC-DOTOQJQBSA-N -1 3 314.360 2.707 20 0 DFADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccco2)C1(CC)CC ZINC000188748439 426783743 /nfs/dbraw/zinc/78/37/43/426783743.db2.gz UKACVDLWXOIBAT-RYUDHWBXSA-N -1 3 301.408 2.542 20 0 DFADHM CSCCO[N-]C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000281584954 426723617 /nfs/dbraw/zinc/72/36/17/426723617.db2.gz ZWEHZOSKVKQZGC-UHFFFAOYSA-N -1 3 303.815 2.822 20 0 DFADHM CNC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(C3CC3)no2)c1 ZINC000281589795 426724598 /nfs/dbraw/zinc/72/45/98/426724598.db2.gz GUFUEDAYIROMMI-UHFFFAOYSA-N -1 3 319.748 2.817 20 0 DFADHM O=C([N-][C@H]1CCO[C@H](c2ccccc2)C1)C(F)(F)C(F)F ZINC000274229494 426727714 /nfs/dbraw/zinc/72/77/14/426727714.db2.gz QHXCMINUUCMRJS-QWRGUYRKSA-N -1 3 305.271 2.923 20 0 DFADHM O=S(=O)([N-][C@@H]1CCSC1)c1ccc(Cl)cc1Cl ZINC000281624549 426733014 /nfs/dbraw/zinc/73/30/14/426733014.db2.gz LIQTZWRRLZXEJW-MRVPVSSYSA-N -1 3 312.243 2.777 20 0 DFADHM CSc1ccccc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179406201 426788556 /nfs/dbraw/zinc/78/85/56/426788556.db2.gz ZFBVPFKESQCJBZ-UHFFFAOYSA-N -1 3 314.370 2.648 20 0 DFADHM CN(C)Cc1ccccc1CNC(=O)c1ccc(F)cc1[O-] ZINC000178996861 426733589 /nfs/dbraw/zinc/73/35/89/426733589.db2.gz RFBDIUAACDRRLJ-UHFFFAOYSA-N -1 3 302.349 2.523 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@H]2Cn2ccnc2C)c([O-])c1 ZINC000188254365 426735930 /nfs/dbraw/zinc/73/59/30/426735930.db2.gz ZLFQLCBVGYTDST-HNNXBMFYSA-N -1 3 313.401 2.764 20 0 DFADHM CC[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)CCCO1 ZINC000281697571 426746620 /nfs/dbraw/zinc/74/66/20/426746620.db2.gz QGFKSRAHUWVVAH-GFCCVEGCSA-N -1 3 300.358 2.582 20 0 DFADHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(C)C ZINC000188392350 426749875 /nfs/dbraw/zinc/74/98/75/426749875.db2.gz SSKOMKTUYDXUKZ-SECBINFHSA-N -1 3 311.856 2.741 20 0 DFADHM CCOC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(C)C ZINC000188393022 426750012 /nfs/dbraw/zinc/75/00/12/426750012.db2.gz IGVPIHHJNCANFM-LBPRGKRZSA-N -1 3 323.817 2.819 20 0 DFADHM CCOCCO[C@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274350017 426750940 /nfs/dbraw/zinc/75/09/40/426750940.db2.gz HLCBFLXDFRZAOH-QWHCGFSZSA-N -1 3 307.390 2.674 20 0 DFADHM CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179458255 426789240 /nfs/dbraw/zinc/78/92/40/426789240.db2.gz CPCONSRZJXGBNG-LBPRGKRZSA-N -1 3 310.781 2.631 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)CC(C)(C)C)c1noc(-c2ccccc2)n1 ZINC000281753730 426758827 /nfs/dbraw/zinc/75/88/27/426758827.db2.gz JLHIZGVZRPGNRD-LLVKDONJSA-N -1 3 323.418 2.763 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)ccc1[O-] ZINC000274394814 426759669 /nfs/dbraw/zinc/75/96/69/426759669.db2.gz WMCOWYWJALVNEN-CQSZACIVSA-N -1 3 319.401 2.895 20 0 DFADHM CCc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)c([O-])c1 ZINC000188557653 426763952 /nfs/dbraw/zinc/76/39/52/426763952.db2.gz RYUFIZINJYZUHM-AWEZNQCLSA-N -1 3 302.374 2.580 20 0 DFADHM C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)c2c([O-])cccc21 ZINC000274424770 426765859 /nfs/dbraw/zinc/76/58/59/426765859.db2.gz YYFUKHBCAWNEPM-NEPJUHHUSA-N -1 3 311.385 2.761 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000179562956 426803624 /nfs/dbraw/zinc/80/36/24/426803624.db2.gz CIDARJFWXJLZOI-UHFFFAOYSA-N -1 3 314.370 2.810 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(C(F)(F)F)c1 ZINC000189437917 426857046 /nfs/dbraw/zinc/85/70/46/426857046.db2.gz DBGLCSFETFTSQL-SECBINFHSA-N -1 3 304.268 2.795 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC(=O)Nc2ccccc21 ZINC000179651070 426810989 /nfs/dbraw/zinc/81/09/89/426810989.db2.gz LMHXOVSZAASAPH-NSHDSACASA-N -1 3 300.289 2.596 20 0 DFADHM COC(=O)CCCO[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000290640005 426811086 /nfs/dbraw/zinc/81/10/86/426811086.db2.gz MSCOJXRIBRHFMT-UHFFFAOYSA-N -1 3 313.781 2.664 20 0 DFADHM COCCOc1cc(C)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274726691 426825971 /nfs/dbraw/zinc/82/59/71/426825971.db2.gz ASPKMEBVIYYEPU-HNNXBMFYSA-N -1 3 324.377 2.600 20 0 DFADHM COCCOc1cc(C)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274726691 426825975 /nfs/dbraw/zinc/82/59/75/426825975.db2.gz ASPKMEBVIYYEPU-HNNXBMFYSA-N -1 3 324.377 2.600 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)C)C1 ZINC000274737213 426827919 /nfs/dbraw/zinc/82/79/19/426827919.db2.gz IEPDFZMNSSYPNL-GXTWGEPZSA-N -1 3 315.410 2.616 20 0 DFADHM COCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000282100663 426830688 /nfs/dbraw/zinc/83/06/88/426830688.db2.gz XYKZWSFLSJESSS-MRVPVSSYSA-N -1 3 312.218 2.697 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000282110329 426832011 /nfs/dbraw/zinc/83/20/11/426832011.db2.gz OKVYYRKTCORENO-IMJJTQAJSA-N -1 3 303.402 2.856 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCSC2)c1 ZINC000267153994 426832678 /nfs/dbraw/zinc/83/26/78/426832678.db2.gz CXLFWXUYIGFPHX-VIFPVBQESA-N -1 3 321.851 2.523 20 0 DFADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000282122410 426833335 /nfs/dbraw/zinc/83/33/35/426833335.db2.gz BNXWGNZXXLALIP-JTQLQIEISA-N -1 3 312.416 2.587 20 0 DFADHM CC(C)(C)n1ncnc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000282143724 426837034 /nfs/dbraw/zinc/83/70/34/426837034.db2.gz 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CCO[N-]C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000184064125 427385074 /nfs/dbraw/zinc/38/50/74/427385074.db2.gz AXBVOGSRWLGQEE-UHFFFAOYSA-N -1 3 302.334 2.995 20 0 DFADHM CC(C)ON=C([O-])Nc1cc(-c2ccc(F)cc2F)nn1C ZINC000297284155 427386732 /nfs/dbraw/zinc/38/67/32/427386732.db2.gz ZRBYHDDXVJXTSB-UHFFFAOYSA-N -1 3 310.304 2.827 20 0 DFADHM CC(C)O[N-]C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C ZINC000297284155 427386738 /nfs/dbraw/zinc/38/67/38/427386738.db2.gz ZRBYHDDXVJXTSB-UHFFFAOYSA-N -1 3 310.304 2.827 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1C[C@H]1C1CCCCC1 ZINC000339051174 271646480 /nfs/dbraw/zinc/64/64/80/271646480.db2.gz GKKZZJNWBCPGOL-KGLIPLIRSA-N -1 3 312.435 2.786 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C)cc2C)s1 ZINC000339049450 271646503 /nfs/dbraw/zinc/64/65/03/271646503.db2.gz YHXDXTISSIGMHV-GFCCVEGCSA-N -1 3 324.471 2.978 20 0 DFADHM Cc1ccoc1C(=O)NCCCNCc1cccc([O-])c1Cl ZINC000293641176 427391214 /nfs/dbraw/zinc/39/12/14/427391214.db2.gz RRRJOQIZFIDLLY-UHFFFAOYSA-N -1 3 322.792 2.857 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CC=CCC1)c1cnccc1C(F)(F)F ZINC000331295619 427391732 /nfs/dbraw/zinc/39/17/32/427391732.db2.gz YNJJEDFSVAIMAF-SNVBAGLBSA-N -1 3 320.336 2.735 20 0 DFADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000263029034 427399626 /nfs/dbraw/zinc/39/96/26/427399626.db2.gz GTTNWNWASMNESU-CMPLNLGQSA-N -1 3 319.430 2.816 20 0 DFADHM CCc1nn(C)c(Cl)c1C(=O)[N-]OCc1ccc(F)cc1 ZINC000184137986 427401760 /nfs/dbraw/zinc/40/17/60/427401760.db2.gz LDYHIFGJEZBABT-UHFFFAOYSA-N -1 3 311.744 2.637 20 0 DFADHM COc1cc(C(=O)NCc2nccn2-c2ccccc2)ccc1[O-] ZINC000338609209 427410876 /nfs/dbraw/zinc/41/08/76/427410876.db2.gz FOFMASIBGRJWGM-UHFFFAOYSA-N -1 3 323.352 2.517 20 0 DFADHM CCc1oc(C(=O)Nc2ccc(OC)cc2[O-])cc1C(=O)OC ZINC000338611221 427411278 /nfs/dbraw/zinc/41/12/78/427411278.db2.gz XNXBODUBMZQLPM-UHFFFAOYSA-N -1 3 319.313 2.595 20 0 DFADHM COc1cc(C(=O)NCCSCC(C)C)cc(OC)c1[O-] ZINC000271137023 427413722 /nfs/dbraw/zinc/41/37/22/427413722.db2.gz OFWATGDABAFPFO-UHFFFAOYSA-N -1 3 313.419 2.528 20 0 DFADHM Cn1cc(N2CCC[C@@H](NCc3cccc([O-])c3Cl)C2)cn1 ZINC000339279513 271678346 /nfs/dbraw/zinc/67/83/46/271678346.db2.gz DSPGULKPHJLIKU-CYBMUJFWSA-N -1 3 320.824 2.538 20 0 DFADHM CCC(CC)(CNC(=O)c1c[n-]c2ccccc2c1=O)OC ZINC000293713569 427414797 /nfs/dbraw/zinc/41/47/97/427414797.db2.gz PWQQOHRNELHJLS-UHFFFAOYSA-N -1 3 302.374 2.875 20 0 DFADHM Cn1c2ccccc2nc1[C@@H]1CCCN1CCCCC(=O)[O-] ZINC000262285202 427354824 /nfs/dbraw/zinc/35/48/24/427354824.db2.gz WKFYLIDIYOVFTM-HNNXBMFYSA-N -1 3 301.390 2.965 20 0 DFADHM Cn1ccc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc21 ZINC000277906556 427355666 /nfs/dbraw/zinc/35/56/66/427355666.db2.gz DFLMKEOKRKHKCJ-SNVBAGLBSA-N -1 3 311.263 2.556 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N2CCCCC[C@H]2C)c([O-])c1 ZINC000331472950 427418250 /nfs/dbraw/zinc/41/82/50/427418250.db2.gz HGVFPSALTFZCDA-CQSZACIVSA-N -1 3 318.417 2.612 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CCc2cc(Cl)ccc2C1 ZINC000191490176 427362032 /nfs/dbraw/zinc/36/20/32/427362032.db2.gz GVRWMWUJJXNWFW-UHFFFAOYSA-N -1 3 312.760 2.810 20 0 DFADHM COC(=O)c1cnc(SCc2noc(C3CCCCC3)n2)[n-]1 ZINC000191501956 427364783 /nfs/dbraw/zinc/36/47/83/427364783.db2.gz IFNYIVQEUHNKPP-UHFFFAOYSA-N -1 3 322.390 2.919 20 0 DFADHM O=S(=O)([N-][C@@H]1CCc2cc(Cl)ccc21)c1ccccn1 ZINC000340079495 271705795 /nfs/dbraw/zinc/70/57/95/271705795.db2.gz ZYKXPXATDRGGPT-CYBMUJFWSA-N -1 3 308.790 2.701 20 0 DFADHM Cc1cc(C(=O)NC(C)(C)c2ccc(Cl)cc2)[n-]c(=O)n1 ZINC000340165007 271712013 /nfs/dbraw/zinc/71/20/13/271712013.db2.gz VWCHCUGGUALTAS-UHFFFAOYSA-N -1 3 305.765 2.809 20 0 DFADHM Cc1c(Cl)c(CN2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)nn1C ZINC000263300065 427457179 /nfs/dbraw/zinc/45/71/79/427457179.db2.gz GLNWJHWNZLJUPL-DRZSPHRISA-N -1 3 311.813 2.600 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCO[C@@]3(CCCOC3)C2)c([O-])c1 ZINC000286219748 427457329 /nfs/dbraw/zinc/45/73/29/427457329.db2.gz FOWUCKXWUHMSBD-SFHVURJKSA-N -1 3 319.401 2.537 20 0 DFADHM Cc1cccc(NC(=O)[C@H](C)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1C ZINC000263310128 427459186 /nfs/dbraw/zinc/45/91/86/427459186.db2.gz HVVOGERBQLFWTF-UGFHNGPFSA-N -1 3 318.417 2.673 20 0 DFADHM CO[C@H](C)CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000338727568 427460491 /nfs/dbraw/zinc/46/04/91/427460491.db2.gz VDEJUKCMTBQZEE-MRVPVSSYSA-N -1 3 312.218 2.697 20 0 DFADHM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cccc([O-])c1 ZINC000293850860 427463368 /nfs/dbraw/zinc/46/33/68/427463368.db2.gz CRHPIJAMSWSETR-ZDUSSCGKSA-N -1 3 314.360 2.882 20 0 DFADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000271240871 427464619 /nfs/dbraw/zinc/46/46/19/427464619.db2.gz DNCKAADHEZIQMB-NXEZZACHSA-N -1 3 321.801 2.573 20 0 DFADHM CC[C@H](C)CON=C([O-])Nc1cncc(Br)c1 ZINC000297855249 427468574 /nfs/dbraw/zinc/46/85/74/427468574.db2.gz TXCHYEQXMOPIMI-QMMMGPOBSA-N -1 3 302.172 2.943 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1cncc(Br)c1 ZINC000297855249 427468581 /nfs/dbraw/zinc/46/85/81/427468581.db2.gz TXCHYEQXMOPIMI-QMMMGPOBSA-N -1 3 302.172 2.943 20 0 DFADHM CC[C@@H](C)CON=C([O-])Nc1cncc(Br)c1 ZINC000297855243 427470097 /nfs/dbraw/zinc/47/00/97/427470097.db2.gz TXCHYEQXMOPIMI-MRVPVSSYSA-N -1 3 302.172 2.943 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1cncc(Br)c1 ZINC000297855243 427470105 /nfs/dbraw/zinc/47/01/05/427470105.db2.gz TXCHYEQXMOPIMI-MRVPVSSYSA-N -1 3 302.172 2.943 20 0 DFADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000271255255 427470291 /nfs/dbraw/zinc/47/02/91/427470291.db2.gz LLURVQRNYURJOZ-UWVGGRQHSA-N -1 3 323.336 2.551 20 0 DFADHM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000293873118 427471057 /nfs/dbraw/zinc/47/10/57/427471057.db2.gz STBQMXQXAXLUOT-LLVKDONJSA-N -1 3 324.229 2.697 20 0 DFADHM C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263357243 427471938 /nfs/dbraw/zinc/47/19/38/427471938.db2.gz RDDPYRLJPBFWCZ-UTUOFQBUSA-N -1 3 324.808 2.710 20 0 DFADHM CC(=O)OCCCc1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000297894134 427478294 /nfs/dbraw/zinc/47/82/94/427478294.db2.gz RWUPKRKPHDXALN-UHFFFAOYSA-N -1 3 306.362 2.645 20 0 DFADHM CCCCCN(C(=O)C(=O)[N-]c1cnns1)[C@@H](C)CCC ZINC000192085078 427478652 /nfs/dbraw/zinc/47/86/52/427478652.db2.gz FTJLMVKQAMJVEK-NSHDSACASA-N -1 3 312.439 2.684 20 0 DFADHM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)c2c(F)cccc2F)CCO1 ZINC000271275232 427478949 /nfs/dbraw/zinc/47/89/49/427478949.db2.gz OGKPSKFCNMVTTK-DTWKUNHWSA-N -1 3 305.271 2.740 20 0 DFADHM O=C(NCCc1ccncc1)c1cc([O-])ccc1C(F)(F)F ZINC000338771778 427479796 /nfs/dbraw/zinc/47/97/96/427479796.db2.gz VWQAHQGTSKMOBL-UHFFFAOYSA-N -1 3 310.275 2.779 20 0 DFADHM CN(C)C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000263400921 427480739 /nfs/dbraw/zinc/48/07/39/427480739.db2.gz IAMVSMROQAUJMD-QGZVFWFLSA-N -1 3 316.376 2.916 20 0 DFADHM Cc1ccc(C(=O)N2CCOC[C@@H](C3CCC3)C2)c([O-])c1C ZINC000293910979 427485716 /nfs/dbraw/zinc/48/57/16/427485716.db2.gz OKVCUORBSSXNPK-HNNXBMFYSA-N -1 3 303.402 2.898 20 0 DFADHM CCO[N-]C(=O)Nc1cc(Cl)ccc1O[C@H](C)COC ZINC000191742213 427419905 /nfs/dbraw/zinc/41/99/05/427419905.db2.gz PDKBJOQLNLXXFW-SECBINFHSA-N -1 3 302.758 2.827 20 0 DFADHM C[C@@H]1CC(C(=O)Nc2cc(-c3nccn3C)[n-]n2)C[C@@H](C)C1 ZINC000184239620 427422709 /nfs/dbraw/zinc/42/27/09/427422709.db2.gz AEQPGQZXTHQMAN-QWRGUYRKSA-N -1 3 301.394 2.821 20 0 DFADHM C[C@@H]1CC(C(=O)Nc2cc(-c3nccn3C)n[n-]2)C[C@@H](C)C1 ZINC000184239620 427422713 /nfs/dbraw/zinc/42/27/13/427422713.db2.gz AEQPGQZXTHQMAN-QWRGUYRKSA-N -1 3 301.394 2.821 20 0 DFADHM CC(C)(CO)[C@H](NCc1cc([O-])cc(F)c1)c1cccnc1 ZINC000293757283 427427544 /nfs/dbraw/zinc/42/75/44/427427544.db2.gz XKHPZGBDXOELPG-MRXNPFEDSA-N -1 3 304.365 2.776 20 0 DFADHM CC[C@H](C)CON=C([O-])Nc1ccc(C(=O)OC)cc1OC ZINC000297683650 427427657 /nfs/dbraw/zinc/42/76/57/427427657.db2.gz GIZBETMIWUWWPV-JTQLQIEISA-N -1 3 310.350 2.581 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(C(=O)OC)cc1OC ZINC000297683650 427427664 /nfs/dbraw/zinc/42/76/64/427427664.db2.gz GIZBETMIWUWWPV-JTQLQIEISA-N -1 3 310.350 2.581 20 0 DFADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1nccs1 ZINC000184277342 427428470 /nfs/dbraw/zinc/42/84/70/427428470.db2.gz LMENAHFKFCKKKC-VIFPVBQESA-N -1 3 309.366 2.591 20 0 DFADHM CC/C(=C\C(=O)[N-]OC[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000191809254 427429320 /nfs/dbraw/zinc/42/93/20/427429320.db2.gz YQVAXGXSHILJMB-PCRWRXJSSA-N -1 3 305.374 2.573 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N(C[C@H]1CCOC1)C1CC1 ZINC000271192286 427441777 /nfs/dbraw/zinc/44/17/77/427441777.db2.gz AGDHTMYWEPYQDL-CYBMUJFWSA-N -1 3 315.413 2.912 20 0 DFADHM O=C([O-])[C@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000263472520 427495827 /nfs/dbraw/zinc/49/58/27/427495827.db2.gz DSNKUQUBAWQSFM-JTQLQIEISA-N -1 3 303.280 2.724 20 0 DFADHM COc1cc2c(c(CNC[C@@H](CC(C)C)C(=O)[O-])c1)O[C@H](C)C2 ZINC000263483792 427497673 /nfs/dbraw/zinc/49/76/73/427497673.db2.gz LRMQVKZNFZHHHH-IUODEOHRSA-N -1 3 321.417 2.855 20 0 DFADHM COc1ccc([C@@H](CO)N(C)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000263498896 427500752 /nfs/dbraw/zinc/50/07/52/427500752.db2.gz UQQMDDASDNNMBV-QGZVFWFLSA-N -1 3 315.369 2.559 20 0 DFADHM Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000271356551 427507372 /nfs/dbraw/zinc/50/73/72/427507372.db2.gz IDKFKENRKVAYSJ-OAHLLOKOSA-N -1 3 313.401 2.819 20 0 DFADHM Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000271356548 427508800 /nfs/dbraw/zinc/50/88/00/427508800.db2.gz IDKFKENRKVAYSJ-HNNXBMFYSA-N -1 3 313.401 2.819 20 0 DFADHM Cc1ccc(-c2noc([N-][C@@H](CO)C[C@@H](O)C(C)(C)C)n2)cc1 ZINC000286380636 427510061 /nfs/dbraw/zinc/51/00/61/427510061.db2.gz IRZHRZAGIAXRDX-ZIAGYGMSSA-N -1 3 319.405 2.615 20 0 DFADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc2c(c1)CCCC2 ZINC000332110001 427515234 /nfs/dbraw/zinc/51/52/34/427515234.db2.gz IVCDJIAFCZFBMO-UHFFFAOYSA-N -1 3 324.306 2.632 20 0 DFADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc2c(c1)CCCC2 ZINC000332110001 427515237 /nfs/dbraw/zinc/51/52/37/427515237.db2.gz IVCDJIAFCZFBMO-UHFFFAOYSA-N -1 3 324.306 2.632 20 0 DFADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc2c(c1)CCCC2 ZINC000332110001 427515245 /nfs/dbraw/zinc/51/52/45/427515245.db2.gz IVCDJIAFCZFBMO-UHFFFAOYSA-N -1 3 324.306 2.632 20 0 DFADHM CCCNC(=O)C1(NCc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC000263579608 427523981 /nfs/dbraw/zinc/52/39/81/427523981.db2.gz UYQXRFGHBDOBJN-UHFFFAOYSA-N -1 3 318.417 2.704 20 0 DFADHM C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000271400191 427524310 /nfs/dbraw/zinc/52/43/10/427524310.db2.gz MNKUMKLBHXPZEK-WFASDCNBSA-N -1 3 303.402 2.647 20 0 DFADHM O=C(c1cccc2ccsc21)N1CCc2nc[n-]c(=O)c2C1 ZINC000341524912 271836678 /nfs/dbraw/zinc/83/66/78/271836678.db2.gz BQTMSBQXBSMQCB-UHFFFAOYSA-N -1 3 311.366 2.595 20 0 DFADHM COCCOc1ccc(NC(=O)[N-]c2cnns2)c(C)c1 ZINC000192371710 427530774 /nfs/dbraw/zinc/53/07/74/427530774.db2.gz RNSPUTDLRKEMDG-UHFFFAOYSA-N -1 3 308.363 2.516 20 0 DFADHM COc1cccc(C(=O)NC[C@@H](C)c2ncc(C)s2)c1[O-] ZINC000184753671 427533374 /nfs/dbraw/zinc/53/33/74/427533374.db2.gz BZFRFKJTRLKJCW-SECBINFHSA-N -1 3 306.387 2.699 20 0 DFADHM NC(=O)CSc1ccccc1[N-]C(=O)c1ccoc1Cl ZINC000192395278 427535400 /nfs/dbraw/zinc/53/54/00/427535400.db2.gz SGFQQDAECLPJRG-UHFFFAOYSA-N -1 3 310.762 2.763 20 0 DFADHM CCCCCc1nnc([N-]C(=O)c2ccc3nc[nH]c3n2)s1 ZINC000271441531 427536993 /nfs/dbraw/zinc/53/69/93/427536993.db2.gz RYSQDVCLIWQIIN-UHFFFAOYSA-N -1 3 316.390 2.794 20 0 DFADHM CCOCCO[N-]C(=O)/C=C/c1ccccc1Br ZINC000184794631 427539227 /nfs/dbraw/zinc/53/92/27/427539227.db2.gz XIIUNCVOVDNFRZ-BQYQJAHWSA-N -1 3 314.179 2.547 20 0 DFADHM CCOCCO[N-]C(=O)/C=C/c1ccccc1OC(F)(F)F ZINC000184784645 427541049 /nfs/dbraw/zinc/54/10/49/427541049.db2.gz VMHCXUMPBSVHJM-BQYQJAHWSA-N -1 3 319.279 2.683 20 0 DFADHM CCOc1cc(CNCc2cnn(CC)c2)cc(Cl)c1[O-] ZINC000298231717 427542630 /nfs/dbraw/zinc/54/26/30/427542630.db2.gz BIJFYRFMPJJEJH-UHFFFAOYSA-N -1 3 309.797 2.951 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](C)C3(CCC3)C2)c(=O)[n-]1 ZINC000271308024 427489472 /nfs/dbraw/zinc/48/94/72/427489472.db2.gz HZEGMMNUCDEVQP-GFCCVEGCSA-N -1 3 317.433 2.770 20 0 DFADHM CC(C)Cc1ccc([C@@H](NCc2nc(=O)[n-][nH]2)C2CC2)cc1 ZINC000272042888 427612674 /nfs/dbraw/zinc/61/26/74/427612674.db2.gz OVZGBTTZKLLDMO-MRXNPFEDSA-N -1 3 300.406 2.537 20 0 DFADHM C[C@H]1C[C@@H](C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CCO1 ZINC000272064017 427619273 /nfs/dbraw/zinc/61/92/73/427619273.db2.gz NYHRJYTVMRJNKL-IUCAKERBSA-N -1 3 322.315 2.504 20 0 DFADHM C[C@H]1C[C@@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CCO1 ZINC000272064017 427619280 /nfs/dbraw/zinc/61/92/80/427619280.db2.gz NYHRJYTVMRJNKL-IUCAKERBSA-N -1 3 322.315 2.504 20 0 DFADHM C[C@H]1C[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCO1 ZINC000272064017 427619284 /nfs/dbraw/zinc/61/92/84/427619284.db2.gz NYHRJYTVMRJNKL-IUCAKERBSA-N -1 3 322.315 2.504 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCS[C@@H](C)[C@@H]3C)ccc2[n-]1 ZINC000332587788 427620472 /nfs/dbraw/zinc/62/04/72/427620472.db2.gz LRHOIWABMVIOGX-QWRGUYRKSA-N -1 3 319.430 2.928 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCS[C@@H](C)[C@@H]3C)cc2[n-]1 ZINC000332587788 427620479 /nfs/dbraw/zinc/62/04/79/427620479.db2.gz LRHOIWABMVIOGX-QWRGUYRKSA-N -1 3 319.430 2.928 20 0 DFADHM C[C@@H]1CCC[C@]1(O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000294133457 427560003 /nfs/dbraw/zinc/56/00/03/427560003.db2.gz KUMPOWMNKXFHOQ-OTYXRUKQSA-N -1 3 317.307 2.692 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCCC(F)(F)C1)c1cncc(F)c1 ZINC000332255853 427561086 /nfs/dbraw/zinc/56/10/86/427561086.db2.gz AFIIMFVXLXEXMV-JTQLQIEISA-N -1 3 322.352 2.715 20 0 DFADHM CC(C)Oc1ncccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000287493386 427622747 /nfs/dbraw/zinc/62/27/47/427622747.db2.gz GDZJTBXETAXGBI-UHFFFAOYSA-N -1 3 304.321 2.644 20 0 DFADHM COCCCO[N-]C(=O)Nc1ccc(Br)c(F)c1 ZINC000287281554 427566048 /nfs/dbraw/zinc/56/60/48/427566048.db2.gz VNKWIIRSLWDULM-UHFFFAOYSA-N -1 3 321.146 2.678 20 0 DFADHM [O-]c1cccc(CNCCc2nnc3n2CCCCC3)c1Cl ZINC000294162493 427568242 /nfs/dbraw/zinc/56/82/42/427568242.db2.gz PLPKAAZMMPXSRX-UHFFFAOYSA-N -1 3 320.824 2.696 20 0 DFADHM CCc1cnc(C[N-]S(=O)(=O)c2c(C)cccc2F)s1 ZINC000184961991 427569638 /nfs/dbraw/zinc/56/96/38/427569638.db2.gz WRBAVRVUKTXRBY-UHFFFAOYSA-N 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C[C@@H]1[C@@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)C1(F)F ZINC000359937966 428086408 /nfs/dbraw/zinc/08/64/08/428086408.db2.gz KALROWLCGWJXGH-ANLVUFKYSA-N -1 3 314.242 2.590 20 0 DFADHM C[C@@H]1[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)C1(F)F ZINC000359937966 428086412 /nfs/dbraw/zinc/08/64/12/428086412.db2.gz KALROWLCGWJXGH-ANLVUFKYSA-N -1 3 314.242 2.590 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@H](C2CCCCC2)C1 ZINC000359960957 428094231 /nfs/dbraw/zinc/09/42/31/428094231.db2.gz QJFZAUYYDHWDAQ-INIZCTEOSA-N -1 3 305.374 2.519 20 0 DFADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ncc[nH]1 ZINC000346258768 428096617 /nfs/dbraw/zinc/09/66/17/428096617.db2.gz VEALMQABGJKBMZ-CYBMUJFWSA-N -1 3 305.353 2.845 20 0 DFADHM CC[C@]1(CO)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000346271054 428101625 /nfs/dbraw/zinc/10/16/25/428101625.db2.gz ASRKADDEDDRCOB-SFHVURJKSA-N -1 3 323.408 2.865 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CC[C@H](Cc3ccncc3)C2)c1 ZINC000369998768 428105515 /nfs/dbraw/zinc/10/55/15/428105515.db2.gz 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COc1n[n-]c(NC(=O)c2ccccc2OC2CCCCC2)n1 ZINC000352642294 428181646 /nfs/dbraw/zinc/18/16/46/428181646.db2.gz DOUQQMYVYVPBBM-UHFFFAOYSA-N -1 3 316.361 2.777 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C)cc2C)c(F)c1 ZINC000360233105 428215494 /nfs/dbraw/zinc/21/54/94/428215494.db2.gz FPZUIHPHOVHGMF-UHFFFAOYSA-N -1 3 323.389 2.930 20 0 DFADHM Cc1nc([C@H]2CCCN(C(=O)c3cc([O-])ccc3Cl)C2)no1 ZINC000377745064 428216624 /nfs/dbraw/zinc/21/66/24/428216624.db2.gz NSNFDKQGNYQPDR-JTQLQIEISA-N -1 3 321.764 2.757 20 0 DFADHM CCOc1cc([C@@H]2NC(C)(C)C(=O)N2CC)cc(Cl)c1[O-] ZINC000414197761 428233265 /nfs/dbraw/zinc/23/32/65/428233265.db2.gz PYIIEFCPGRTEBV-CYBMUJFWSA-N -1 3 312.797 2.673 20 0 DFADHM CCCCS(=O)(=O)[N-]Cc1nc([C@@H]2CCCC[C@H]2C)no1 ZINC000356576122 428239072 /nfs/dbraw/zinc/23/90/72/428239072.db2.gz BGCUADQMTJKESH-VXGBXAGGSA-N -1 3 315.439 2.583 20 0 DFADHM Cc1ncsc1-c1nc(C[S@](=O)c2cccc([O-])c2)no1 ZINC000370373103 428193452 /nfs/dbraw/zinc/19/34/52/428193452.db2.gz HACNGTOZFAOQMY-NRFANRHFSA-N -1 3 321.383 2.515 20 0 DFADHM CCOC(=O)c1cnc(C=Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000414063593 428195612 /nfs/dbraw/zinc/19/56/12/428195612.db2.gz CXWVPUHOAYQWIN-AATRIKPKSA-N -1 3 317.370 2.863 20 0 DFADHM CC1CCC(C)(C[N-]S(=O)(=O)c2cncc(F)c2)CC1 ZINC000360196559 428199365 /nfs/dbraw/zinc/19/93/65/428199365.db2.gz ZFJPIFSKCSCZFM-UHFFFAOYSA-N -1 3 300.399 2.715 20 0 DFADHM COc1nnccc1[N-]C(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000346510301 428200186 /nfs/dbraw/zinc/20/01/86/428200186.db2.gz MGDNRLCCFQJPRG-UHFFFAOYSA-N -1 3 310.313 2.701 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000356487976 428201442 /nfs/dbraw/zinc/20/14/42/428201442.db2.gz NFLNMVBANXGAIJ-UHFFFAOYSA-N -1 3 321.373 2.643 20 0 DFADHM Cc1nc(NC(=O)c2cnn[n-]2)sc1Cc1cccc(F)c1 ZINC000341979539 428267035 /nfs/dbraw/zinc/26/70/35/428267035.db2.gz BJCGMOFMUUSEGD-UHFFFAOYSA-N -1 3 317.349 2.552 20 0 DFADHM Cc1nc(NC(=O)c2c[n-]nn2)sc1Cc1cccc(F)c1 ZINC000341979539 428267041 /nfs/dbraw/zinc/26/70/41/428267041.db2.gz BJCGMOFMUUSEGD-UHFFFAOYSA-N -1 3 317.349 2.552 20 0 DFADHM Cc1nc(NC(=O)c2cn[n-]n2)sc1Cc1cccc(F)c1 ZINC000341979539 428267044 /nfs/dbraw/zinc/26/70/44/428267044.db2.gz BJCGMOFMUUSEGD-UHFFFAOYSA-N -1 3 317.349 2.552 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](c3ccccc3)O2)o1 ZINC000341984178 428269051 /nfs/dbraw/zinc/26/90/51/428269051.db2.gz XRRAXCULSNDIAV-LSDHHAIUSA-N -1 3 321.398 2.787 20 0 DFADHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000360374894 428274806 /nfs/dbraw/zinc/27/48/06/428274806.db2.gz CFVQOQKEKIVTJK-RKDXNWHRSA-N -1 3 307.337 2.818 20 0 DFADHM Cc1cn2c(n1)[C@@H](CNC(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000377982406 428278308 /nfs/dbraw/zinc/27/83/08/428278308.db2.gz HXOALLSQGGMOTR-LLVKDONJSA-N -1 3 319.792 2.858 20 0 DFADHM Cc1nn(C)c2c1N(C(=O)c1cc([O-])ccc1Cl)CCS2 ZINC000378006951 428285349 /nfs/dbraw/zinc/28/53/49/428285349.db2.gz VQHUKYOORSQBFO-UHFFFAOYSA-N -1 3 323.805 2.840 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc3c2OCC(=O)N3)c([O-])c1C ZINC000378018932 428286589 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Cc1nc(C)c(CC(=O)N2Cc3cccc(Cl)c3C2)c(=O)[n-]1 ZINC000360332625 428257120 /nfs/dbraw/zinc/25/71/20/428257120.db2.gz CQPXJQWBFDYFMG-UHFFFAOYSA-N -1 3 317.776 2.537 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356625939 428259003 /nfs/dbraw/zinc/25/90/03/428259003.db2.gz CYPFWEQGHXNXSR-GGZOMVNGSA-N -1 3 312.163 2.518 20 0 DFADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000341963775 428261715 /nfs/dbraw/zinc/26/17/15/428261715.db2.gz VLYHHCKKCHNCMC-UHFFFAOYSA-N -1 3 323.817 2.820 20 0 DFADHM CC(C)c1scnc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000352820506 428262804 /nfs/dbraw/zinc/26/28/04/428262804.db2.gz AXOGTSDIZCDLJY-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM Cc1ncc(CN[C@@H](C)c2nc3c(s2)CCCC3)c(=O)[n-]1 ZINC000346788582 428317005 /nfs/dbraw/zinc/31/70/05/428317005.db2.gz HAWCVXXXTIQOCG-VIFPVBQESA-N -1 3 304.419 2.677 20 0 DFADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCCSCC1 ZINC000342138421 428318007 /nfs/dbraw/zinc/31/80/07/428318007.db2.gz OIGQHZYGKLJSHS-UHFFFAOYSA-N -1 3 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DFADHM COCCC1(C[N-]S(=O)(=O)c2ccc(C)o2)CCCCC1 ZINC000358546303 428606373 /nfs/dbraw/zinc/60/63/73/428606373.db2.gz OMHDYRVBTWPDBU-UHFFFAOYSA-N -1 3 315.435 2.853 20 0 DFADHM C[C@@H]1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)[C@H]1C ZINC000408148574 428609292 /nfs/dbraw/zinc/60/92/92/428609292.db2.gz CFNNGRXQUJTJIM-BDAKNGLRSA-N -1 3 306.312 2.677 20 0 DFADHM Cc1ccc(C(=O)N2CCC(c3cnccn3)CC2)c([O-])c1C ZINC000373577886 428611512 /nfs/dbraw/zinc/61/15/12/428611512.db2.gz PFQLHROLVXRQCP-UHFFFAOYSA-N -1 3 311.385 2.819 20 0 DFADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1Cl ZINC000362097873 428619722 /nfs/dbraw/zinc/61/97/22/428619722.db2.gz XDESLWONYZXSFH-ZETCQYMHSA-N -1 3 301.717 2.959 20 0 DFADHM CC[C@@H]1CN(C(=O)c2cc(C)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000373616824 428620824 /nfs/dbraw/zinc/62/08/24/428620824.db2.gz ASDPMRADZUCJLP-RDTXWAMCSA-N -1 3 319.401 2.501 20 0 DFADHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000408299010 428635121 /nfs/dbraw/zinc/63/51/21/428635121.db2.gz 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/nfs/dbraw/zinc/15/88/20/429158820.db2.gz OUZMEFPJRDTVBS-UHFFFAOYSA-N -1 3 321.312 2.767 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000364309881 429179095 /nfs/dbraw/zinc/17/90/95/429179095.db2.gz WVVDUHGPAHSMCI-KBPBESRZSA-N -1 3 319.401 2.680 20 0 DFADHM COC(=O)NCc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000495187916 429184586 /nfs/dbraw/zinc/18/45/86/429184586.db2.gz IRIGJFODMCKNMV-UHFFFAOYSA-N -1 3 314.341 2.809 20 0 DFADHM CC(C)CS(=O)(=O)[N-][C@H](C)c1nc(C2CCCCC2)no1 ZINC000436165589 429185233 /nfs/dbraw/zinc/18/52/33/429185233.db2.gz YMFYYSSLHDCJGS-LLVKDONJSA-N -1 3 315.439 2.754 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CCSC1 ZINC000488674392 429188990 /nfs/dbraw/zinc/18/89/90/429188990.db2.gz KKLLVTDBYVCPCW-SECBINFHSA-N -1 3 316.220 2.524 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@H]2COc3ccc(Cl)cc32)n1 ZINC000488924935 429207232 /nfs/dbraw/zinc/20/72/32/429207232.db2.gz HOEYEVSNWORWRX-NSHDSACASA-N -1 3 304.733 2.864 20 0 DFADHM Cc1occc1-c1nnc(NCc2c(F)ccc([O-])c2F)o1 ZINC000438926995 429214532 /nfs/dbraw/zinc/21/45/32/429214532.db2.gz DESNGDZHOFFKBO-UHFFFAOYSA-N -1 3 307.256 3.234 20 0 DFADHM Cc1cc(NC(=O)c2c([O-])cccc2O)nn1-c1ccc(C)cc1 ZINC000436743862 429202217 /nfs/dbraw/zinc/20/22/17/429202217.db2.gz YXSOZNRWDZPBLD-UHFFFAOYSA-N -1 3 323.352 3.153 20 0 DFADHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000490320238 429286049 /nfs/dbraw/zinc/28/60/49/429286049.db2.gz FDULRYTWZFDOFR-UHFFFAOYSA-N -1 3 301.314 2.653 20 0 DFADHM COc1ccc2c(c1)CN(C(=O)c1cc(C)ccc1[O-])CCO2 ZINC000456156559 429250591 /nfs/dbraw/zinc/25/05/91/429250591.db2.gz LRPIOCQIHUCENK-UHFFFAOYSA-N -1 3 313.353 2.744 20 0 DFADHM COC(=O)c1cnc(SCC(=O)Cc2ccccc2Cl)[n-]1 ZINC000443464373 429251950 /nfs/dbraw/zinc/25/19/50/429251950.db2.gz FAHCTEDDSBBXRX-UHFFFAOYSA-N -1 3 324.789 2.754 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)NCCCSc1ccccn1 ZINC000425303309 429260418 /nfs/dbraw/zinc/26/04/18/429260418.db2.gz LWEHBJPUHCUDCB-UHFFFAOYSA-N -1 3 320.389 2.767 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC12CCOCC2 ZINC000456250641 429264976 /nfs/dbraw/zinc/26/49/76/429264976.db2.gz SFLJXRPGSWMNEQ-OAHLLOKOSA-N -1 3 307.365 2.539 20 0 DFADHM CCOC(=O)N1CCC[C@@H](C(=O)[N-]O[C@@H](C)c2ccccc2)C1 ZINC000495847945 429278869 /nfs/dbraw/zinc/27/88/69/429278869.db2.gz DNVNOMRZYKNEEM-DZGCQCFKSA-N -1 3 320.389 2.664 20 0 DFADHM Cc1cc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)[n-]c(=O)n1 ZINC000490163827 429281139 /nfs/dbraw/zinc/28/11/39/429281139.db2.gz KXDGBTRGOFHADB-CABCVRRESA-N -1 3 311.385 2.947 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCOCC1 ZINC000365512405 429330516 /nfs/dbraw/zinc/33/05/16/429330516.db2.gz ODRQWNOHHIVQFA-VIFPVBQESA-N -1 3 314.179 2.910 20 0 DFADHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(SC)cc1[O-] ZINC000365521671 429333081 /nfs/dbraw/zinc/33/30/81/429333081.db2.gz KKYLBGIOCLVHFO-OLZOCXBDSA-N -1 3 320.458 2.813 20 0 DFADHM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cc(F)cc2nn[n-]c21 ZINC000505233602 429336876 /nfs/dbraw/zinc/33/68/76/429336876.db2.gz YQMUZXRFZFSLBT-AULYBMBSSA-N -1 3 310.332 2.773 20 0 DFADHM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cc(F)cc2[n-]nnc21 ZINC000505233602 429336879 /nfs/dbraw/zinc/33/68/79/429336879.db2.gz YQMUZXRFZFSLBT-AULYBMBSSA-N -1 3 310.332 2.773 20 0 DFADHM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cc(F)cc2n[n-]nc21 ZINC000505233602 429336881 /nfs/dbraw/zinc/33/68/81/429336881.db2.gz YQMUZXRFZFSLBT-AULYBMBSSA-N -1 3 310.332 2.773 20 0 DFADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1ccncc1F ZINC000448493025 429312748 /nfs/dbraw/zinc/31/27/48/429312748.db2.gz RPUGCPSXCSUGEP-UHFFFAOYSA-N -1 3 301.252 3.267 20 0 DFADHM CCc1cc(C(=O)N[C@@H]2C[C@@H](CO)c3ccccc32)ccc1[O-] ZINC000365892794 429397347 /nfs/dbraw/zinc/39/73/47/429397347.db2.gz FGFLXTHNUJWWAW-WMLDXEAASA-N -1 3 311.381 2.905 20 0 DFADHM CCc1cc(C(=O)N[C@H]2C[C@H](CO)c3ccccc32)ccc1[O-] ZINC000365892792 429398101 /nfs/dbraw/zinc/39/81/01/429398101.db2.gz FGFLXTHNUJWWAW-PBHICJAKSA-N -1 3 311.381 2.905 20 0 DFADHM COc1ccc(CN2CC[C@@H](F)C2)c(Br)c1[O-] ZINC000449394383 429400552 /nfs/dbraw/zinc/40/05/52/429400552.db2.gz NXRXQSRPYOVPKA-SECBINFHSA-N -1 3 304.159 2.707 20 0 DFADHM O=C([O-])[C@H](Cc1ccc(O)cc1)NCc1cc(Cl)ccc1F ZINC000426654317 429407095 /nfs/dbraw/zinc/40/70/95/429407095.db2.gz KFBBTWJAOKPJLQ-HNNXBMFYSA-N -1 3 323.751 2.970 20 0 DFADHM O=C(C=Cc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000491353219 429351165 /nfs/dbraw/zinc/35/11/65/429351165.db2.gz UNCINFAZKQQGHQ-KMKOMSMNSA-N -1 3 309.304 2.658 20 0 DFADHM O=C(C=Cc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000491353219 429351170 /nfs/dbraw/zinc/35/11/70/429351170.db2.gz UNCINFAZKQQGHQ-KMKOMSMNSA-N -1 3 309.304 2.658 20 0 DFADHM CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000513795641 429361690 /nfs/dbraw/zinc/36/16/90/429361690.db2.gz JJNXFNOESDHNRM-KBPBESRZSA-N -1 3 313.467 2.957 20 0 DFADHM COc1ccc(C=CC(=O)Nc2nnc(SC)[n-]2)cc1Cl ZINC000491503617 429367644 /nfs/dbraw/zinc/36/76/44/429367644.db2.gz DOCANOMSWZWCIP-XQRVVYSFSA-N -1 3 324.793 2.841 20 0 DFADHM COc1ccc(C=CC(=O)Nc2nc(SC)n[n-]2)cc1Cl ZINC000491503617 429367645 /nfs/dbraw/zinc/36/76/45/429367645.db2.gz DOCANOMSWZWCIP-XQRVVYSFSA-N -1 3 324.793 2.841 20 0 DFADHM COc1ccc(C=CC(=O)Nc2n[n-]c(SC)n2)cc1Cl ZINC000491503617 429367649 /nfs/dbraw/zinc/36/76/49/429367649.db2.gz DOCANOMSWZWCIP-XQRVVYSFSA-N -1 3 324.793 2.841 20 0 DFADHM O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1cc(F)ccc1[O-] ZINC000365782583 429372311 /nfs/dbraw/zinc/37/23/11/429372311.db2.gz DOUUNNCQWLIHBO-NSHDSACASA-N -1 3 300.289 2.596 20 0 DFADHM CCO[C@@H]1CCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000456980477 429372320 /nfs/dbraw/zinc/37/23/20/429372320.db2.gz OTCVUNJXFCSPMU-GDBMZVCRSA-N -1 3 309.381 2.928 20 0 DFADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000457298109 429440819 /nfs/dbraw/zinc/44/08/19/429440819.db2.gz SLBIXAPYULWSBS-PBHICJAKSA-N -1 3 307.390 2.964 20 0 DFADHM Cc1cnc([C@H](C)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cn1 ZINC000518991274 429442948 /nfs/dbraw/zinc/44/29/48/429442948.db2.gz HKNIGHBSVBSOQU-KSSFIOAISA-N -1 3 311.385 2.574 20 0 DFADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cscn1 ZINC000519026982 429445119 /nfs/dbraw/zinc/44/51/19/429445119.db2.gz HTOONPYXCZKSTL-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000491973286 429445137 /nfs/dbraw/zinc/44/51/37/429445137.db2.gz PDINUCUQPLTAOP-MVZIDQBPSA-N -1 3 314.307 2.990 20 0 DFADHM CC(C)CC[C@@H]1CCCN1C(=O)c1c[n-]c2ccncc2c1=O ZINC000519588518 429468129 /nfs/dbraw/zinc/46/81/29/429468129.db2.gz YIUYUVGUDKNGNW-ZDUSSCGKSA-N -1 3 313.401 2.964 20 0 DFADHM COCCOc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426785244 429415268 /nfs/dbraw/zinc/41/52/68/429415268.db2.gz WLHFIXJNCQUVQZ-HNNXBMFYSA-N -1 3 321.398 2.689 20 0 DFADHM CCCSC[C@H](NCc1cc2ccccc2[nH]c1=O)C(=O)[O-] ZINC000426809965 429417345 /nfs/dbraw/zinc/41/73/45/429417345.db2.gz HCBSWYFJENLTCD-AWEZNQCLSA-N -1 3 320.414 2.626 20 0 DFADHM O=C([N-]c1cccc2[nH]c(=O)oc21)c1noc(-c2ccccc2)n1 ZINC000426814997 429419899 /nfs/dbraw/zinc/41/98/99/429419899.db2.gz JEIAEXSHROPWSL-UHFFFAOYSA-N -1 3 322.280 2.836 20 0 DFADHM C[C@@H](CC(C)(C)C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000457231911 429430250 /nfs/dbraw/zinc/43/02/50/429430250.db2.gz RDUMABMJZKSNGN-NSHDSACASA-N -1 3 312.435 2.613 20 0 DFADHM CCCn1c(=O)[n-]nc1SCC(=O)c1ccc(F)c(C)c1 ZINC000427102254 429433216 /nfs/dbraw/zinc/43/32/16/429433216.db2.gz SAADIPYEFAOVCJ-UHFFFAOYSA-N -1 3 309.366 2.816 20 0 DFADHM COc1cc(C(=O)N[C@H](C2CC2)C2CCC2)cc(OC)c1[O-] ZINC000457247989 429433411 /nfs/dbraw/zinc/43/34/11/429433411.db2.gz OOEOXWRBYUMPBQ-HNNXBMFYSA-N -1 3 305.374 2.718 20 0 DFADHM CCCC[C@H](CCC)CNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000427147249 429436121 /nfs/dbraw/zinc/43/61/21/429436121.db2.gz KMHRRPWNTWDKGV-AWEZNQCLSA-N -1 3 320.433 2.845 20 0 DFADHM COc1ccccc1[C@@H]1CCN(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000492399781 429529371 /nfs/dbraw/zinc/52/93/71/429529371.db2.gz PGRPPPHSHNJWLG-IDTUSYRASA-N -1 3 324.380 2.825 20 0 DFADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@@H](CCCO)C3)c2c1 ZINC000519644004 429476422 /nfs/dbraw/zinc/47/64/22/429476422.db2.gz BFHZFWRBCRFWOL-CYBMUJFWSA-N -1 3 314.385 2.840 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@H](C)CCCC(F)(F)F)c(=O)[n-]1 ZINC000427969737 429480501 /nfs/dbraw/zinc/48/05/01/429480501.db2.gz ZLPXPKGOFTVMHT-MRVPVSSYSA-N -1 3 319.327 2.579 20 0 DFADHM C[C@]1(c2ccccc2)CCCN(Cc2oncc2C(=O)[O-])C1 ZINC000519820410 429491752 /nfs/dbraw/zinc/49/17/52/429491752.db2.gz AMKLQTXXPRUNQP-KRWDZBQOSA-N -1 3 300.358 2.927 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@H](C)Cc2cnn(C)c2)c1[O-] ZINC000457669361 429503952 /nfs/dbraw/zinc/50/39/52/429503952.db2.gz MLTRDVFAZHVKQA-SNVBAGLBSA-N -1 3 307.781 2.905 20 0 DFADHM O=C(N[C@@H](c1ccccn1)C1CCCC1)c1csc(=O)[n-]1 ZINC000366815158 429519020 /nfs/dbraw/zinc/51/90/20/429519020.db2.gz AHABZDRBHROECZ-CYBMUJFWSA-N -1 3 303.387 2.905 20 0 DFADHM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000520642204 429523542 /nfs/dbraw/zinc/52/35/42/429523542.db2.gz PDIPBSAHOFHDBT-NWDGAFQWSA-N -1 3 320.437 2.535 20 0 DFADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1nc2c(s1)CCC2 ZINC000457915158 429548668 /nfs/dbraw/zinc/54/86/68/429548668.db2.gz JHZDSHRJVAMZNG-MRVPVSSYSA-N -1 3 304.371 2.534 20 0 DFADHM CNC(=O)c1ccc(/C=C\C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000492491102 429549578 /nfs/dbraw/zinc/54/95/78/429549578.db2.gz PIBLDZYWCMTZGW-WTKPLQERSA-N -1 3 314.316 2.543 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)c1 ZINC000457944620 429553290 /nfs/dbraw/zinc/55/32/90/429553290.db2.gz CBHZDJNYDHWAPM-GJZGRUSLSA-N -1 3 301.386 2.596 20 0 DFADHM CC(C)(C)[C@H](NC(=O)/C=C/c1cncc([O-])c1)C(F)(F)F ZINC000492517520 429555435 /nfs/dbraw/zinc/55/54/35/429555435.db2.gz FIBPCFXLNDZKDE-ITKZLYELSA-N -1 3 302.296 2.894 20 0 DFADHM COc1c(F)cc(F)cc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492516263 429555449 /nfs/dbraw/zinc/55/54/49/429555449.db2.gz AQWPYQXVZCPBDL-IHWYPQMZSA-N -1 3 306.268 2.726 20 0 DFADHM COc1c(F)cc(F)cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000492516264 429556080 /nfs/dbraw/zinc/55/60/80/429556080.db2.gz AQWPYQXVZCPBDL-NSCUHMNNSA-N -1 3 306.268 2.726 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)C(C)(C)C ZINC000521558445 429556371 /nfs/dbraw/zinc/55/63/71/429556371.db2.gz GLRWPDYGWITLOI-JTQLQIEISA-N -1 3 319.448 2.638 20 0 DFADHM CCc1ccc(C(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)c([O-])c1 ZINC000457965176 429557582 /nfs/dbraw/zinc/55/75/82/429557582.db2.gz JVFSESPBWOYAJV-LSDHHAIUSA-N -1 3 301.386 2.596 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1nnc(-c2ccco2)s1 ZINC000492523320 429557890 /nfs/dbraw/zinc/55/78/90/429557890.db2.gz WKNBRIQBOOHMRB-ONEGZZNKSA-N -1 3 314.326 2.551 20 0 DFADHM CC(C)(C)c1nc(CNC(=O)c2ccc3ccccc3c2[O-])n[nH]1 ZINC000458020231 429566008 /nfs/dbraw/zinc/56/60/08/429566008.db2.gz JIPFEOGVNRWXGF-UHFFFAOYSA-N -1 3 324.384 2.891 20 0 DFADHM O=C(/C=C/c1cc(F)c(F)c(F)c1)[N-]O[C@H]1CCCCO1 ZINC000492592173 429572353 /nfs/dbraw/zinc/57/23/53/429572353.db2.gz IFQFJBHXJPBYAT-IHVVCDCBSA-N -1 3 301.264 2.692 20 0 DFADHM CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc([O-])c(F)c2)C12CCC2 ZINC000450140386 429572486 /nfs/dbraw/zinc/57/24/86/429572486.db2.gz OVVFXNFGVLPYPA-HZPDHXFCSA-N -1 3 321.392 2.880 20 0 DFADHM CCOc1ccccc1C1=CCN(Cc2n[n-]c(=O)s2)CC1 ZINC000367080010 429573208 /nfs/dbraw/zinc/57/32/08/429573208.db2.gz IZALRZIQRBWTAJ-UHFFFAOYSA-N -1 3 317.414 2.932 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000522011929 429576081 /nfs/dbraw/zinc/57/60/81/429576081.db2.gz WNRNUZMJIPKVCP-JTQLQIEISA-N -1 3 319.336 2.543 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000522011929 429576084 /nfs/dbraw/zinc/57/60/84/429576084.db2.gz WNRNUZMJIPKVCP-JTQLQIEISA-N -1 3 319.336 2.543 20 0 DFADHM CCC[C@@H](CC(C)C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000450175520 429576194 /nfs/dbraw/zinc/57/61/94/429576194.db2.gz PEBHHFGWIYJNPA-LBPRGKRZSA-N -1 3 303.410 3.211 20 0 DFADHM CCC[C@@H](CC(C)C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000450175520 429576199 /nfs/dbraw/zinc/57/61/99/429576199.db2.gz PEBHHFGWIYJNPA-LBPRGKRZSA-N -1 3 303.410 3.211 20 0 DFADHM CCc1cc(C(=O)N[C@H]2Cc3cccc(OC)c3C2)ccc1[O-] ZINC000458079594 429577638 /nfs/dbraw/zinc/57/76/38/429577638.db2.gz IUHFXIAFNZDWGP-HNNXBMFYSA-N -1 3 311.381 2.860 20 0 DFADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H]1COc2ccccc21 ZINC000450228191 429582073 /nfs/dbraw/zinc/58/20/73/429582073.db2.gz AUTOMCUECJJZRO-FZMZJTMJSA-N -1 3 315.344 2.755 20 0 DFADHM C[C@H]([N-]c1nnc(C(F)F)o1)c1cccc(-n2ccnc2)c1 ZINC000429209690 429587301 /nfs/dbraw/zinc/58/73/01/429587301.db2.gz QDKXMUZAACKDIB-VIFPVBQESA-N -1 3 305.288 3.366 20 0 DFADHM CC[C@H](CC1CCCCC1)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522261612 429588392 /nfs/dbraw/zinc/58/83/92/429588392.db2.gz UDFDNSRWBLOTCA-HUUCEWRRSA-N -1 3 307.438 2.611 20 0 DFADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1c[n-]nn1 ZINC000520849455 429532102 /nfs/dbraw/zinc/53/21/02/429532102.db2.gz OUOLHIGBSOFNAW-UHFFFAOYSA-N -1 3 312.304 2.666 20 0 DFADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1cnn[n-]1 ZINC000520849455 429532105 /nfs/dbraw/zinc/53/21/05/429532105.db2.gz OUOLHIGBSOFNAW-UHFFFAOYSA-N -1 3 312.304 2.666 20 0 DFADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1cn[n-]n1 ZINC000520849455 429532109 /nfs/dbraw/zinc/53/21/09/429532109.db2.gz OUOLHIGBSOFNAW-UHFFFAOYSA-N -1 3 312.304 2.666 20 0 DFADHM CCOCc1nc(C)c(C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000449916560 429537105 /nfs/dbraw/zinc/53/71/05/429537105.db2.gz XNKZIPIFHWXNJY-UHFFFAOYSA-N -1 3 324.377 2.763 20 0 DFADHM O=C(/C=C/c1c(Cl)cccc1Cl)[N-]O[C@@H]1CCOC1 ZINC000492476655 429546821 /nfs/dbraw/zinc/54/68/21/429546821.db2.gz STZALYCFBMSHDO-XNPJLODASA-N -1 3 302.157 2.843 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@@H](C)Oc2cccc(F)c2)c1 ZINC000524714877 429631208 /nfs/dbraw/zinc/63/12/08/429631208.db2.gz PCOXNQVPSQWTOC-LLVKDONJSA-N -1 3 319.332 2.737 20 0 DFADHM CC1(C)CN(C(=O)/C=C\c2cncc([O-])c2)[C@@H]1c1ccncc1 ZINC000492896863 429639890 /nfs/dbraw/zinc/63/98/90/429639890.db2.gz RHYOXXQFXUCGIV-CWIOURORSA-N -1 3 309.369 2.805 20 0 DFADHM CCOc1ccc([C@H](COC)[N-]c2nnc(C(C)C)o2)cc1 ZINC000450517271 429642137 /nfs/dbraw/zinc/64/21/37/429642137.db2.gz NCGJYILPHSNFFZ-AWEZNQCLSA-N -1 3 305.378 3.391 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1csc(-c2ccccc2)n1 ZINC000430001953 429644788 /nfs/dbraw/zinc/64/47/88/429644788.db2.gz UEDZYVAVGPYGEJ-QWHCGFSZSA-N -1 3 320.439 2.887 20 0 DFADHM COc1ccccc1C[C@@H]1CCCN(Cc2n[n-]c(=O)s2)C1 ZINC000367452657 429649519 /nfs/dbraw/zinc/64/95/19/429649519.db2.gz VLIVXOAWAJHORH-LBPRGKRZSA-N -1 3 319.430 2.707 20 0 DFADHM CCCOc1ccc(/C=C/C(=O)[N-]OC2CCOCC2)cc1 ZINC000492706542 429598781 /nfs/dbraw/zinc/59/87/81/429598781.db2.gz NGJQRGKQLTYCGX-VMPITWQZSA-N -1 3 305.374 2.715 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc([C@H]2CCOC2)cc1 ZINC000492994662 429663669 /nfs/dbraw/zinc/66/36/69/429663669.db2.gz KERRCQFMEIDARB-IQHSHDKKSA-N -1 3 310.353 2.943 20 0 DFADHM CCCCS[C@@H](C)C(=O)Nc1nc(C)[n-]c1C(=O)OCC ZINC000525663977 429665530 /nfs/dbraw/zinc/66/55/30/429665530.db2.gz SBNZSWSAZZBOGJ-VIFPVBQESA-N -1 3 313.423 2.755 20 0 DFADHM CCCCS[C@@H](C)C(=O)Nc1[n-]c(C)nc1C(=O)OCC ZINC000525663977 429665533 /nfs/dbraw/zinc/66/55/33/429665533.db2.gz SBNZSWSAZZBOGJ-VIFPVBQESA-N -1 3 313.423 2.755 20 0 DFADHM C[C@]1(CNC(=O)/C=C\c2cncc([O-])c2)CC1(Cl)Cl ZINC000492960068 429655033 /nfs/dbraw/zinc/65/50/33/429655033.db2.gz NGBZLXPQIAMDSB-ZZKXABKFSA-N -1 3 301.173 2.501 20 0 DFADHM C[C@H](NC(=O)c1cccc2nn[n-]c21)c1c(F)cccc1F ZINC000525866646 429682047 /nfs/dbraw/zinc/68/20/47/429682047.db2.gz TYCPPOIVISNJOC-QMMMGPOBSA-N -1 3 302.284 2.727 20 0 DFADHM C[C@H](NC(=O)c1cccc2[n-]nnc21)c1c(F)cccc1F ZINC000525866646 429682050 /nfs/dbraw/zinc/68/20/50/429682050.db2.gz TYCPPOIVISNJOC-QMMMGPOBSA-N -1 3 302.284 2.727 20 0 DFADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1c(F)cccc1F ZINC000525866646 429682052 /nfs/dbraw/zinc/68/20/52/429682052.db2.gz TYCPPOIVISNJOC-QMMMGPOBSA-N -1 3 302.284 2.727 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@@H](C)C(F)(F)F)ccc2[n-]1 ZINC000450736327 429688496 /nfs/dbraw/zinc/68/84/96/429688496.db2.gz FJFFYGGKXVLZKS-MRVPVSSYSA-N -1 3 315.295 2.890 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@@H](C)C(F)(F)F)cc2[n-]1 ZINC000450736327 429688499 /nfs/dbraw/zinc/68/84/99/429688499.db2.gz FJFFYGGKXVLZKS-MRVPVSSYSA-N -1 3 315.295 2.890 20 0 DFADHM O=C(/C=C\[C@H]1CCOC1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000493147266 429698850 /nfs/dbraw/zinc/69/88/50/429698850.db2.gz GOBUPAYPJKJFMS-LVXRCVOFSA-N -1 3 317.263 2.822 20 0 DFADHM CCC[C@@H]1CCC[C@@H]1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000450747904 429691651 /nfs/dbraw/zinc/69/16/51/429691651.db2.gz RBZRCESDTCPZKJ-BDAKNGLRSA-N -1 3 304.316 2.656 20 0 DFADHM CCC[C@@H]1CCC[C@@H]1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000450747904 429691655 /nfs/dbraw/zinc/69/16/55/429691655.db2.gz RBZRCESDTCPZKJ-BDAKNGLRSA-N -1 3 304.316 2.656 20 0 DFADHM CCC[C@@H]1CCC[C@@H]1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000450747904 429691657 /nfs/dbraw/zinc/69/16/57/429691657.db2.gz RBZRCESDTCPZKJ-BDAKNGLRSA-N -1 3 304.316 2.656 20 0 DFADHM C[C@@H]1CC[C@@H](C(=O)NCc2nnc(C(F)(F)F)[n-]2)C[C@H]1C ZINC000450747395 429691765 /nfs/dbraw/zinc/69/17/65/429691765.db2.gz OHIYGEGKNHQBQB-IWSPIJDZSA-N -1 3 304.316 2.512 20 0 DFADHM C[C@@H]1CC[C@@H](C(=O)NCc2n[n-]c(C(F)(F)F)n2)C[C@H]1C ZINC000450747395 429691770 /nfs/dbraw/zinc/69/17/70/429691770.db2.gz OHIYGEGKNHQBQB-IWSPIJDZSA-N -1 3 304.316 2.512 20 0 DFADHM C[C@@H]1CC[C@@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@H]1C ZINC000450747395 429691775 /nfs/dbraw/zinc/69/17/75/429691775.db2.gz OHIYGEGKNHQBQB-IWSPIJDZSA-N -1 3 304.316 2.512 20 0 DFADHM COCCN(C(=O)c1cccc2[n-]nnc21)[C@H](C)c1ccccc1 ZINC000526113817 429702950 /nfs/dbraw/zinc/70/29/50/429702950.db2.gz PNCJVKKSNKWNRH-CYBMUJFWSA-N -1 3 324.384 2.808 20 0 DFADHM COCCN(C(=O)c1cccc2nn[n-]c21)[C@H](C)c1ccccc1 ZINC000526113817 429702955 /nfs/dbraw/zinc/70/29/55/429702955.db2.gz PNCJVKKSNKWNRH-CYBMUJFWSA-N -1 3 324.384 2.808 20 0 DFADHM COCCN(C(=O)c1cccc2n[n-]nc21)[C@H](C)c1ccccc1 ZINC000526113817 429702959 /nfs/dbraw/zinc/70/29/59/429702959.db2.gz PNCJVKKSNKWNRH-CYBMUJFWSA-N -1 3 324.384 2.808 20 0 DFADHM CCCOc1cc(C)ccc1CNC(=O)c1cccc2nn[n-]c21 ZINC000526115006 429704354 /nfs/dbraw/zinc/70/43/54/429704354.db2.gz BCBPKKAUNGVLBY-UHFFFAOYSA-N -1 3 324.384 2.985 20 0 DFADHM CCCOc1cc(C)ccc1CNC(=O)c1cccc2[n-]nnc21 ZINC000526115006 429704357 /nfs/dbraw/zinc/70/43/57/429704357.db2.gz BCBPKKAUNGVLBY-UHFFFAOYSA-N -1 3 324.384 2.985 20 0 DFADHM CCCOc1cc(C)ccc1CNC(=O)c1cccc2n[n-]nc21 ZINC000526115006 429704359 /nfs/dbraw/zinc/70/43/59/429704359.db2.gz BCBPKKAUNGVLBY-UHFFFAOYSA-N -1 3 324.384 2.985 20 0 DFADHM CCC[C@H](NC(=O)[C@@H](C)N(C)CCCC(=O)[O-])c1ccccc1 ZINC000430675233 429708754 /nfs/dbraw/zinc/70/87/54/429708754.db2.gz DSCUTYDOAPSQIM-ZBFHGGJFSA-N -1 3 320.433 2.829 20 0 DFADHM COc1ccc(/C=C\C(=O)[N-]OCCOC(C)C)cc1Cl ZINC000493261278 429723962 /nfs/dbraw/zinc/72/39/62/429723962.db2.gz STBSINXVORWTTQ-ALCCZGGFSA-N -1 3 313.781 2.835 20 0 DFADHM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cccc2nn[n-]c21 ZINC000527116038 429725184 /nfs/dbraw/zinc/72/51/84/429725184.db2.gz FLTUUBVAZITOER-ZDUSSCGKSA-N -1 3 320.274 2.991 20 0 DFADHM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cccc2[n-]nnc21 ZINC000527116038 429725188 /nfs/dbraw/zinc/72/51/88/429725188.db2.gz FLTUUBVAZITOER-ZDUSSCGKSA-N -1 3 320.274 2.991 20 0 DFADHM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000527116038 429725192 /nfs/dbraw/zinc/72/51/92/429725192.db2.gz FLTUUBVAZITOER-ZDUSSCGKSA-N -1 3 320.274 2.991 20 0 DFADHM O=C(Nc1ccc(-c2csnn2)cc1)c1cccc2nn[n-]c21 ZINC000527108705 429725202 /nfs/dbraw/zinc/72/52/02/429725202.db2.gz XCGRHOJWAXYWOQ-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1ccc(-c2csnn2)cc1)c1cccc2[n-]nnc21 ZINC000527108705 429725205 /nfs/dbraw/zinc/72/52/05/429725205.db2.gz XCGRHOJWAXYWOQ-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1ccc(-c2csnn2)cc1)c1cccc2n[n-]nc21 ZINC000527108705 429725210 /nfs/dbraw/zinc/72/52/10/429725210.db2.gz XCGRHOJWAXYWOQ-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(CCc1cnccn1)Nc1ccc(Br)cc1[O-] ZINC000527230432 429734348 /nfs/dbraw/zinc/73/43/48/429734348.db2.gz GLQHNUNVEREFEF-UHFFFAOYSA-N -1 3 322.162 2.516 20 0 DFADHM Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cccc([O-])c2)n1 ZINC000367877053 429734997 /nfs/dbraw/zinc/73/49/97/429734997.db2.gz FYSJGZXCCDOIIN-HNNXBMFYSA-N -1 3 311.385 2.812 20 0 DFADHM O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1csc(=O)[n-]1 ZINC000527461567 429751453 /nfs/dbraw/zinc/75/14/53/429751453.db2.gz NBVOQXLZHAJZEL-DGCLKSJQSA-N -1 3 322.361 2.638 20 0 DFADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NCc1cncs1 ZINC000367955344 429752499 /nfs/dbraw/zinc/75/24/99/429752499.db2.gz HVFHGOMUTJUXJH-UHFFFAOYSA-N -1 3 305.794 2.626 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@@H]2C)c1 ZINC000451056389 429757712 /nfs/dbraw/zinc/75/77/12/429757712.db2.gz QSDBGFUBAVTDRF-QWHCGFSZSA-N -1 3 317.476 2.930 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2)C(C)(F)F ZINC000451068439 429761593 /nfs/dbraw/zinc/76/15/93/429761593.db2.gz IFTURAYTGALVMR-SECBINFHSA-N -1 3 319.373 2.722 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc2nc(C)sc2c1)C(F)F ZINC000451086359 429766378 /nfs/dbraw/zinc/76/63/78/429766378.db2.gz SPSGHCSORKSPGP-VIFPVBQESA-N -1 3 320.386 2.927 20 0 DFADHM Cc1sc([N-]C(=O)c2noc3c2COCC3)nc1C(C)C ZINC000527612178 429766402 /nfs/dbraw/zinc/76/64/02/429766402.db2.gz IVWSQLDATQCBEI-UHFFFAOYSA-N -1 3 307.375 2.888 20 0 DFADHM CCN(CC)S(=O)(=O)[N-]c1cc(Cl)cnc1OC(C)C ZINC000451096517 429768587 /nfs/dbraw/zinc/76/85/87/429768587.db2.gz OZWYXJWTCQLVPR-UHFFFAOYSA-N -1 3 321.830 2.521 20 0 DFADHM O=C(/C=C\c1c(Cl)nc2ccccn21)[N-]OC/C=C\Cl ZINC000493478996 429770336 /nfs/dbraw/zinc/77/03/36/429770336.db2.gz IEQADNFXLJQCAK-SPQSVWJYSA-N -1 3 312.156 2.801 20 0 DFADHM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000431580903 429771087 /nfs/dbraw/zinc/77/10/87/429771087.db2.gz YCMSCPWSMXMTSX-UHFFFAOYSA-N -1 3 313.467 2.570 20 0 DFADHM COC[C@@H](C)C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451124640 429772623 /nfs/dbraw/zinc/77/26/23/429772623.db2.gz YBAWLFMXYGNWRE-NSHDSACASA-N -1 3 311.378 2.540 20 0 DFADHM O=C(N[C@@H]1CCCc2ccccc21)c1cc(F)cc2nn[n-]c21 ZINC000431660444 429774881 /nfs/dbraw/zinc/77/48/81/429774881.db2.gz JOUODKIKTRLYID-CQSZACIVSA-N -1 3 310.332 2.904 20 0 DFADHM O=C(N[C@@H]1CCCc2ccccc21)c1cc(F)cc2[n-]nnc21 ZINC000431660444 429774883 /nfs/dbraw/zinc/77/48/83/429774883.db2.gz JOUODKIKTRLYID-CQSZACIVSA-N -1 3 310.332 2.904 20 0 DFADHM O=C(N[C@@H]1CCCc2ccccc21)c1cc(F)cc2n[n-]nc21 ZINC000431660444 429774887 /nfs/dbraw/zinc/77/48/87/429774887.db2.gz JOUODKIKTRLYID-CQSZACIVSA-N -1 3 310.332 2.904 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2nc3ccccc3s2)[n-]1 ZINC000431660361 429775817 /nfs/dbraw/zinc/77/58/17/429775817.db2.gz IZPZEMOIAACTAR-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2nc3c(cccc3C)s2)[n-]1 ZINC000431685905 429776847 /nfs/dbraw/zinc/77/68/47/429776847.db2.gz NGHSWIVGASJITE-UHFFFAOYSA-N -1 3 315.354 2.972 20 0 DFADHM CSc1ccc(CCNC(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000493514896 429777924 /nfs/dbraw/zinc/77/79/24/429777924.db2.gz KYIMYAIZPNOJIV-DAXSKMNVSA-N -1 3 314.410 2.881 20 0 DFADHM CCOc1nc2ccc(C(=O)Nc3ccc(F)cn3)cc2[n-]1 ZINC000431743739 429781223 /nfs/dbraw/zinc/78/12/23/429781223.db2.gz XWDCRMPMXBOAAR-UHFFFAOYSA-N -1 3 300.293 2.748 20 0 DFADHM CCOc1nc2cc(C(=O)Nc3ccc(F)cn3)ccc2[n-]1 ZINC000431743739 429781225 /nfs/dbraw/zinc/78/12/25/429781225.db2.gz XWDCRMPMXBOAAR-UHFFFAOYSA-N -1 3 300.293 2.748 20 0 DFADHM Cc1cc([C@@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)c(C)o1 ZINC000431763160 429781449 /nfs/dbraw/zinc/78/14/49/429781449.db2.gz ABUFFECDMMCXMH-MRVPVSSYSA-N -1 3 302.309 2.798 20 0 DFADHM Cc1cc([C@@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)c(C)o1 ZINC000431763160 429781454 /nfs/dbraw/zinc/78/14/54/429781454.db2.gz ABUFFECDMMCXMH-MRVPVSSYSA-N -1 3 302.309 2.798 20 0 DFADHM Cc1cc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)c(C)o1 ZINC000431763160 429781457 /nfs/dbraw/zinc/78/14/57/429781457.db2.gz ABUFFECDMMCXMH-MRVPVSSYSA-N -1 3 302.309 2.798 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2cc(F)c(F)c(F)c2)[n-]1 ZINC000493543812 429783169 /nfs/dbraw/zinc/78/31/69/429783169.db2.gz BJTMZZLWSYPBSZ-NSCUHMNNSA-N -1 3 314.292 2.596 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2cc(F)c(F)c(F)c2)n1 ZINC000493543812 429783174 /nfs/dbraw/zinc/78/31/74/429783174.db2.gz BJTMZZLWSYPBSZ-NSCUHMNNSA-N -1 3 314.292 2.596 20 0 DFADHM CSc1nc(NC(=O)C=Cc2cc(F)c(F)c(F)c2)n[n-]1 ZINC000493543812 429783178 /nfs/dbraw/zinc/78/31/78/429783178.db2.gz BJTMZZLWSYPBSZ-NSCUHMNNSA-N -1 3 314.292 2.596 20 0 DFADHM CCC(=O)C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000493554086 429785578 /nfs/dbraw/zinc/78/55/78/429785578.db2.gz WLIWSCYGCFYWFP-UHFFFAOYSA-N -1 3 311.790 2.751 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2)c[n-]1 ZINC000431842381 429785999 /nfs/dbraw/zinc/78/59/99/429785999.db2.gz UKSIAJUNHMHHTM-UHFFFAOYSA-N -1 3 302.330 2.841 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCC(c2ccncc2)CC1 ZINC000493564331 429786752 /nfs/dbraw/zinc/78/67/52/429786752.db2.gz WOEROXKPOPJLIT-UPHRSURJSA-N -1 3 309.369 2.602 20 0 DFADHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000431859253 429787227 /nfs/dbraw/zinc/78/72/27/429787227.db2.gz QWQMGQBJDIFRRO-SECBINFHSA-N -1 3 321.808 2.757 20 0 DFADHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451219316 429790574 /nfs/dbraw/zinc/79/05/74/429790574.db2.gz PIJKWNCIUIYFLT-LBPRGKRZSA-N -1 3 311.378 2.682 20 0 DFADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1C[C@]12CCOC2 ZINC000368129750 429794101 /nfs/dbraw/zinc/79/41/01/429794101.db2.gz UKURBKRINNDTHA-RNCFNFMXSA-N -1 3 301.264 2.776 20 0 DFADHM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)/C=C\c1cncc([O-])c1 ZINC000493608303 429795432 /nfs/dbraw/zinc/79/54/32/429795432.db2.gz CYLFSIAVICBJDD-OKQSBHACSA-N -1 3 304.390 2.510 20 0 DFADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)cs2)C12CCC2 ZINC000451246762 429795681 /nfs/dbraw/zinc/79/56/81/429795681.db2.gz WGCYTHBWCIXVCZ-NEPJUHHUSA-N -1 3 315.460 2.683 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2cccc(N3CN=NC3=O)c2C)c1 ZINC000368252810 429816010 /nfs/dbraw/zinc/81/60/10/429816010.db2.gz NXSARFIEYICULY-UHFFFAOYSA-N -1 3 324.340 2.548 20 0 DFADHM COc1cc(C)c([C@@H](C)[N-]c2nnc(C(F)F)o2)cc1OC ZINC000432337590 429816589 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430251472 /nfs/dbraw/zinc/25/14/72/430251472.db2.gz OYMPJLHUGHIFPN-OAHLLOKOSA-N -1 3 301.390 2.995 20 0 DFADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1cc(C(=O)[O-])nn1C ZINC000635310107 430251608 /nfs/dbraw/zinc/25/16/08/430251608.db2.gz YYIDNHSJSQKATH-MGPLVRAMSA-N -1 3 317.364 2.671 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc([C@H]3CCOC3)cc2)on1 ZINC000581933845 430251996 /nfs/dbraw/zinc/25/19/96/430251996.db2.gz XFGOTWVAXVCCKC-JSGCOSHPSA-N -1 3 315.373 2.926 20 0 DFADHM Cc1nn2c(CNCCCCC(=O)[O-])c(C(C)C)nc2s1 ZINC000635314010 430252556 /nfs/dbraw/zinc/25/25/56/430252556.db2.gz UOFMGXMDQYLRGO-UHFFFAOYSA-N -1 3 310.423 2.567 20 0 DFADHM Cc1ccc([C@H]2C[C@H](C)N(Cc3cc(C(=O)[O-])nn3C)C2)cc1 ZINC000635313178 430253150 /nfs/dbraw/zinc/25/31/50/430253150.db2.gz JJXYWZCRJNMLGA-ZFWWWQNUSA-N -1 3 313.401 2.805 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN1CCC[C@@H](C2CCCCC2)C1 ZINC000635314220 430253171 /nfs/dbraw/zinc/25/31/71/430253171.db2.gz COCAZAUHYIQXAV-CQSZACIVSA-N -1 3 305.422 2.911 20 0 DFADHM COC[C@]1(C(=O)[O-])CCN(Cc2cscc2C(F)(F)F)C1 ZINC000635316917 430254469 /nfs/dbraw/zinc/25/44/69/430254469.db2.gz MYVFVFATMIKTKO-LBPRGKRZSA-N -1 3 323.336 2.690 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H](c2nc[nH]n2)c2ccccc2)c1 ZINC000543606562 430254605 /nfs/dbraw/zinc/25/46/05/430254605.db2.gz MXVTVLHNWKKTSN-MRXNPFEDSA-N -1 3 322.368 2.592 20 0 DFADHM O=c1[n-]c([C@H]2CCCN(CCc3ccc(Cl)cc3)C2)n[nH]1 ZINC000581984402 430256276 /nfs/dbraw/zinc/25/62/76/430256276.db2.gz DEGDLSMSDCGFHG-LBPRGKRZSA-N -1 3 306.797 2.586 20 0 DFADHM CCC(C)(C)c1cn(CC(=O)[N-]c2cc(C(C)(C)C)no2)nn1 ZINC000640861751 430273386 /nfs/dbraw/zinc/27/33/86/430273386.db2.gz VMBAFRLFSXSQOS-UHFFFAOYSA-N -1 3 319.409 2.890 20 0 DFADHM O=C([O-])c1cnc2cc3c(cc2c1N1CCC[C@H](F)C1)OCO3 ZINC000582243850 430282267 /nfs/dbraw/zinc/28/22/67/430282267.db2.gz ABYGESMHMUSRHT-VIFPVBQESA-N -1 3 318.304 2.600 20 0 DFADHM COC[C@H](Cc1ccccc1)N(C)Cc1ccoc1C(=O)[O-] ZINC000581613061 430225476 /nfs/dbraw/zinc/22/54/76/430225476.db2.gz QFDWBPRXJGEKKK-HNNXBMFYSA-N -1 3 303.358 2.667 20 0 DFADHM O=S(=O)(CCOCC1CC1)[N-]c1ccc(F)c(Cl)c1 ZINC000566093540 430241236 /nfs/dbraw/zinc/24/12/36/430241236.db2.gz AQBGUKITXYNWHR-UHFFFAOYSA-N -1 3 307.774 2.647 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)c1 ZINC000582282613 430285947 /nfs/dbraw/zinc/28/59/47/430285947.db2.gz UXNAWOPLFJSHHO-UHFFFAOYSA-N -1 3 322.455 2.809 20 0 DFADHM CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ncccc2[O-])C1 ZINC000582327542 430289335 /nfs/dbraw/zinc/28/93/35/430289335.db2.gz KCULDGLUZMWKSU-CYBMUJFWSA-N -1 3 306.406 2.731 20 0 DFADHM C[C@@](O)(CN(Cc1c(F)cccc1F)C1CCCC1)C(=O)[O-] ZINC000568061382 430310709 /nfs/dbraw/zinc/31/07/09/430310709.db2.gz DQLZMAWIISOXAY-MRXNPFEDSA-N -1 3 313.344 2.545 20 0 DFADHM C[C@](O)(CN(Cc1c(F)cccc1F)C1CCCC1)C(=O)[O-] ZINC000568061381 430311211 /nfs/dbraw/zinc/31/12/11/430311211.db2.gz DQLZMAWIISOXAY-INIZCTEOSA-N -1 3 313.344 2.545 20 0 DFADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC000582557522 430312788 /nfs/dbraw/zinc/31/27/88/430312788.db2.gz YNRGQFRLWAUQPP-WZRBSPASSA-N -1 3 303.406 2.862 20 0 DFADHM O=C([O-])COCCN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000568098461 430316417 /nfs/dbraw/zinc/31/64/17/430316417.db2.gz FULNIRMAAKTQAU-GOSISDBHSA-N -1 3 311.381 2.735 20 0 DFADHM CCCn1cc(-c2cn(Cc3cc([O-])ccc3Cl)nn2)cn1 ZINC000641071705 430320291 /nfs/dbraw/zinc/32/02/91/430320291.db2.gz JZUFCUQXZXMPDJ-UHFFFAOYSA-N -1 3 317.780 2.959 20 0 DFADHM CCCCN1CCCC[C@H]1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000582725240 430328861 /nfs/dbraw/zinc/32/88/61/430328861.db2.gz JRWCHQVCYIHDDZ-INIZCTEOSA-N -1 3 318.417 2.769 20 0 DFADHM CC[C@](C)(NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nccs1 ZINC000568199718 430330911 /nfs/dbraw/zinc/33/09/11/430330911.db2.gz GGDVMQBVXGELRH-HNNXBMFYSA-N -1 3 318.402 2.571 20 0 DFADHM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Cc2cncc([O-])c2)C1 ZINC000568233362 430337155 /nfs/dbraw/zinc/33/71/55/430337155.db2.gz MJNLIDRYFFECIV-GOSISDBHSA-N -1 3 314.360 2.659 20 0 DFADHM CC(C)=C(C)CC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000635925486 430412608 /nfs/dbraw/zinc/41/26/08/430412608.db2.gz AGOPZARCYJUJPS-OLZOCXBDSA-N -1 3 319.405 2.613 20 0 DFADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCN2C2CCCC2)c1[O-] ZINC000635929026 430413745 /nfs/dbraw/zinc/41/37/45/430413745.db2.gz DDOSHSBEOOOMQG-HNNXBMFYSA-N -1 3 302.374 2.550 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000546659893 430362925 /nfs/dbraw/zinc/36/29/25/430362925.db2.gz KKEHHYBHFKVMMC-WMZOPIPTSA-N -1 3 303.402 2.890 20 0 DFADHM CCOC1CC2(C1)CCN(C(=O)c1cccc(CC)c1[O-])C2 ZINC000583161497 430370262 /nfs/dbraw/zinc/37/02/62/430370262.db2.gz AWCQDPWCGUQPLM-UHFFFAOYSA-N -1 3 303.402 2.986 20 0 DFADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1cncc(Cl)c1 ZINC000583156518 430370276 /nfs/dbraw/zinc/37/02/76/430370276.db2.gz ADBIEQUFDFIZGQ-UHFFFAOYSA-N -1 3 322.773 2.960 20 0 DFADHM C[C@@H]1CCCC[C@]1(C)NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000583189844 430372328 /nfs/dbraw/zinc/37/23/28/430372328.db2.gz ZAFLMICYPZPERW-WBMJQRKESA-N -1 3 321.446 2.567 20 0 DFADHM O=S(=O)(CC1CCCC1)c1nnc([N-]c2ccccc2)s1 ZINC000568590446 430372932 /nfs/dbraw/zinc/37/29/32/430372932.db2.gz SPLTUPIOCTYAEL-UHFFFAOYSA-N -1 3 323.443 3.246 20 0 DFADHM Cn1nccc1Cc1nc(=O)c2c3c(sc2[n-]1)SCCC3 ZINC000546911685 430374492 /nfs/dbraw/zinc/37/44/92/430374492.db2.gz CFPPHYMJOFILJG-UHFFFAOYSA-N -1 3 318.427 2.760 20 0 DFADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)C[C@]2(C)CC2(F)F)o1 ZINC000641285947 430375870 /nfs/dbraw/zinc/37/58/70/430375870.db2.gz NGESEEUOHFQJCG-XWIASGKRSA-N -1 3 319.373 2.868 20 0 DFADHM CCc1ccc([O-])c(-c2nc(Cc3ccc(C(N)=O)cc3)no2)c1 ZINC000547044414 430378370 /nfs/dbraw/zinc/37/83/70/430378370.db2.gz YYVCJNJFBCDITH-UHFFFAOYSA-N -1 3 323.352 2.694 20 0 DFADHM CCc1cccc(OCCN2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000583267598 430378817 /nfs/dbraw/zinc/37/88/17/430378817.db2.gz BHUUPCRSEBTTHA-AWEZNQCLSA-N -1 3 309.431 2.520 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F)c1nccs1 ZINC000641337909 430386225 /nfs/dbraw/zinc/38/62/25/430386225.db2.gz PBBQWKAZMFKIRR-DTWKUNHWSA-N -1 3 324.418 2.805 20 0 DFADHM Cc1ccc(C(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)c([O-])c1C ZINC000547367038 430387279 /nfs/dbraw/zinc/38/72/79/430387279.db2.gz JRKWLJCKONLGDQ-SJLPKXTDSA-N -1 3 303.402 2.944 20 0 DFADHM CN(C(=O)c1cccc(C(F)(F)F)c1[O-])[C@@H]1CCCN(C)C1 ZINC000568763513 430389131 /nfs/dbraw/zinc/38/91/31/430389131.db2.gz AARAHWNCDVQHKT-SNVBAGLBSA-N -1 3 316.323 2.577 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)C[C@H]2C(C)(C)C2(F)F)s1 ZINC000641374137 430390919 /nfs/dbraw/zinc/39/09/19/430390919.db2.gz ZCXLOWGBCOSVDC-BDAKNGLRSA-N -1 3 324.418 2.723 20 0 DFADHM C[C@@H]1CCN(Cc2cncn2Cc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000583446816 430395214 /nfs/dbraw/zinc/39/52/14/430395214.db2.gz WOZQHXZRDYJDPW-PBHICJAKSA-N -1 3 313.401 2.617 20 0 DFADHM CC(C)COc1cccc(Cn2cc(Cl)c(=O)[n-]c2=O)c1 ZINC000641462640 430406356 /nfs/dbraw/zinc/40/63/56/430406356.db2.gz VISZRCNQFRELSB-UHFFFAOYSA-N -1 3 308.765 2.685 20 0 DFADHM COc1cccc(CSCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000568967293 430409777 /nfs/dbraw/zinc/40/97/77/430409777.db2.gz MZVUMKCQEHZTSQ-UHFFFAOYSA-N -1 3 303.387 2.897 20 0 DFADHM COCC1(S(=O)(=O)[N-]c2ccc(SC)c(Cl)c2)CC1 ZINC000641684769 430441810 /nfs/dbraw/zinc/44/18/10/430441810.db2.gz YHJHXHIVAZKPMB-UHFFFAOYSA-N -1 3 321.851 2.983 20 0 DFADHM COCC1(S(=O)(=O)[N-]c2c(C)cccc2SC)CC1 ZINC000641685340 430442370 /nfs/dbraw/zinc/44/23/70/430442370.db2.gz LHUJJTXLUPVMPB-UHFFFAOYSA-N -1 3 301.433 2.638 20 0 DFADHM O=S(=O)(CCC1CCCC1)[N-]c1ccc(F)c(F)c1O ZINC000641691040 430443359 /nfs/dbraw/zinc/44/33/59/430443359.db2.gz OGNZKVXHXBRNPK-UHFFFAOYSA-N -1 3 305.346 2.992 20 0 DFADHM O=C(Cc1cncc([O-])c1)NCCCc1cccc(Cl)c1 ZINC000569378175 430449311 /nfs/dbraw/zinc/44/93/11/430449311.db2.gz JGVRGGAKVIOGAB-UHFFFAOYSA-N -1 3 304.777 2.732 20 0 DFADHM COc1ccc(CN2CCC[C@H](CC(=O)[O-])CC2)cc1OC ZINC000641813974 430481197 /nfs/dbraw/zinc/48/11/97/430481197.db2.gz YASPNZMPEYHBJK-ZDUSSCGKSA-N -1 3 307.390 2.781 20 0 DFADHM COCc1nc(C(=O)[N-]c2csc(-c3ccccn3)n2)co1 ZINC000548164698 430453105 /nfs/dbraw/zinc/45/31/05/430453105.db2.gz PQYKGHKXZUULKW-UHFFFAOYSA-N -1 3 316.342 2.592 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000636110876 430463346 /nfs/dbraw/zinc/46/33/46/430463346.db2.gz GQZJDGGHPWBFKN-NTZNESFSSA-N -1 3 305.422 2.914 20 0 DFADHM CCCc1occc1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636110942 430464437 /nfs/dbraw/zinc/46/44/37/430464437.db2.gz PCBSPJSIOHUJBI-UHFFFAOYSA-N -1 3 303.362 2.701 20 0 DFADHM CC(C)c1ncc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000584158273 430464613 /nfs/dbraw/zinc/46/46/13/430464613.db2.gz BDOSQFJOIGJWEZ-UHFFFAOYSA-N -1 3 313.405 2.605 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(Cl)cc2)n1 ZINC000636115408 430465674 /nfs/dbraw/zinc/46/56/74/430465674.db2.gz YKIPCJAUOHJDJH-UHFFFAOYSA-N -1 3 305.765 2.809 20 0 DFADHM CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccc(C(=O)[O-])c(Cl)c4)[C@H]1[C@H]3C2 ZINC000584178068 430466838 /nfs/dbraw/zinc/46/68/38/430466838.db2.gz YVAKMNZMVDJGMR-GSJWJAIFSA-N -1 3 321.804 2.893 20 0 DFADHM Cc1cccn2c(CN3CCC[C@H](CC(=O)[O-])CC3)cnc12 ZINC000641814727 430481692 /nfs/dbraw/zinc/48/16/92/430481692.db2.gz VBRTZETUPVYDBO-AWEZNQCLSA-N -1 3 301.390 2.720 20 0 DFADHM C[C@@H]1CCN(Cc2ccc3c(c2)OC(F)(F)O3)C[C@H]1C(=O)[O-] ZINC000641795436 430473719 /nfs/dbraw/zinc/47/37/19/430473719.db2.gz ZQKWWKBHJPHWBJ-MWLCHTKSSA-N -1 3 313.300 2.551 20 0 DFADHM CC[C@](C)([N-]S(=O)(=O)c1cscn1)c1nc(C)cs1 ZINC000569719592 430480434 /nfs/dbraw/zinc/48/04/34/430480434.db2.gz UEOMZBOJJDEPTF-NSHDSACASA-N -1 3 317.461 2.512 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2cccnc2)c1F ZINC000641591678 430425021 /nfs/dbraw/zinc/42/50/21/430425021.db2.gz GLHBSBCSSNBHTC-KBPBESRZSA-N -1 3 320.389 2.611 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]Cc2oc(C(C)C)nc2C)c1 ZINC000641597788 430425778 /nfs/dbraw/zinc/42/57/78/430425778.db2.gz GZRDPJRRROBUAV-UHFFFAOYSA-N -1 3 314.432 2.955 20 0 DFADHM CCC(C)(C)c1nnc([N-][C@H](C)c2noc(COC(C)C)n2)o1 ZINC000641604537 430427949 /nfs/dbraw/zinc/42/79/49/430427949.db2.gz RQEGMMCJQIRNFK-SNVBAGLBSA-N -1 3 323.397 3.238 20 0 DFADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Cc1cncc([O-])c1 ZINC000583763033 430428098 /nfs/dbraw/zinc/42/80/98/430428098.db2.gz NKVCOEXIOHRGBF-IUODEOHRSA-N -1 3 314.360 2.873 20 0 DFADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000569707657 430480590 /nfs/dbraw/zinc/48/05/90/430480590.db2.gz IQCJOXXERHBSKG-GDBMZVCRSA-N -1 3 314.360 2.921 20 0 DFADHM COc1ccc(C)cc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000583812519 430431284 /nfs/dbraw/zinc/43/12/84/430431284.db2.gz JSOBUPPYPJLIFB-UHFFFAOYSA-N -1 3 323.336 2.767 20 0 DFADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)c1nc(C(C)(C)C)cs1 ZINC000583822369 430432799 /nfs/dbraw/zinc/43/27/99/430432799.db2.gz JNIUSXXIBSPULC-SNVBAGLBSA-N -1 3 319.430 2.961 20 0 DFADHM COc1c(C)cnc(CN(C2CC2)C2(C(=O)[O-])CCC2)c1C ZINC000569824546 430490714 /nfs/dbraw/zinc/49/07/14/430490714.db2.gz CANFKQOVUJBFHK-UHFFFAOYSA-N -1 3 304.390 2.679 20 0 DFADHM Cc1csc(Oc2ccc(NC(=O)c3cnn[n-]3)cc2F)n1 ZINC000548713605 430494305 /nfs/dbraw/zinc/49/43/05/430494305.db2.gz XOYQGZSXOWZLCP-UHFFFAOYSA-N -1 3 319.321 2.753 20 0 DFADHM Cc1csc(Oc2ccc(NC(=O)c3c[n-]nn3)cc2F)n1 ZINC000548713605 430494310 /nfs/dbraw/zinc/49/43/10/430494310.db2.gz XOYQGZSXOWZLCP-UHFFFAOYSA-N -1 3 319.321 2.753 20 0 DFADHM Cc1csc(Oc2ccc(NC(=O)c3cn[n-]n3)cc2F)n1 ZINC000548713605 430494313 /nfs/dbraw/zinc/49/43/13/430494313.db2.gz XOYQGZSXOWZLCP-UHFFFAOYSA-N -1 3 319.321 2.753 20 0 DFADHM Cc1ccc(CC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c(Cl)c1 ZINC000636283753 430502974 /nfs/dbraw/zinc/50/29/74/430502974.db2.gz HBPZOJDQZPKIRP-UHFFFAOYSA-N -1 3 317.776 2.537 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cccc(C(F)(F)F)c1)C2 ZINC000636282487 430502992 /nfs/dbraw/zinc/50/29/92/430502992.db2.gz LZGRPQZGXBDIBI-UHFFFAOYSA-N -1 3 323.274 2.665 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cccc(C(F)F)c1)C2 ZINC000636285928 430503871 /nfs/dbraw/zinc/50/38/71/430503871.db2.gz ZIZORECSKYCPBV-UHFFFAOYSA-N -1 3 305.284 2.584 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1)C2 ZINC000636285772 430504107 /nfs/dbraw/zinc/50/41/07/430504107.db2.gz NBAQKZNMSUBTKT-CMPLNLGQSA-N -1 3 303.406 2.795 20 0 DFADHM Cc1ncc(CNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000570015726 430504865 /nfs/dbraw/zinc/50/48/65/430504865.db2.gz LAESJNIBKPSNPE-JKSUJKDBSA-N -1 3 311.385 2.691 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCC(F)(F)CC1)C2 ZINC000636289160 430504884 /nfs/dbraw/zinc/50/48/84/430504884.db2.gz QMZWACLDLKFZGL-UHFFFAOYSA-N -1 3 311.332 2.548 20 0 DFADHM O=C(NCC1(Cc2ccccc2)CC1)c1cc(F)cc2nn[n-]c21 ZINC000548870507 430507019 /nfs/dbraw/zinc/50/70/19/430507019.db2.gz JDNLLDRKORQCRE-UHFFFAOYSA-N -1 3 324.359 2.850 20 0 DFADHM O=C(NCC1(Cc2ccccc2)CC1)c1cc(F)cc2[n-]nnc21 ZINC000548870507 430507023 /nfs/dbraw/zinc/50/70/23/430507023.db2.gz JDNLLDRKORQCRE-UHFFFAOYSA-N -1 3 324.359 2.850 20 0 DFADHM O=C(NCC1(Cc2ccccc2)CC1)c1cc(F)cc2n[n-]nc21 ZINC000548870507 430507026 /nfs/dbraw/zinc/50/70/26/430507026.db2.gz JDNLLDRKORQCRE-UHFFFAOYSA-N -1 3 324.359 2.850 20 0 DFADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccnc(C2CC2)c1 ZINC000636320077 430512224 /nfs/dbraw/zinc/51/22/24/430512224.db2.gz DBNMKABMNIVFLF-UHFFFAOYSA-N -1 3 324.384 2.652 20 0 DFADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)C(C1CC1)C1CC1 ZINC000636321207 430512530 /nfs/dbraw/zinc/51/25/30/430512530.db2.gz YIJMLDIZVIYHRS-UHFFFAOYSA-N -1 3 301.390 2.502 20 0 DFADHM Cc1ccc(CCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)o1 ZINC000636318956 430512617 /nfs/dbraw/zinc/51/26/17/430512617.db2.gz GSENWHFHJPEUJE-UHFFFAOYSA-N -1 3 315.373 2.600 20 0 DFADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccoc1Cl ZINC000636322032 430512646 /nfs/dbraw/zinc/51/26/46/430512646.db2.gz ZXUNHQGHNSDZIP-UHFFFAOYSA-N -1 3 307.737 2.626 20 0 DFADHM C[C@]1(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)C[C@H]2C[C@H]2C1 ZINC000636321704 430512726 /nfs/dbraw/zinc/51/27/26/430512726.db2.gz VNIHPUPRHBKHRN-PBKGOJFUSA-N -1 3 301.390 2.502 20 0 DFADHM CS[C@@H]1CCC[C@@H](NC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000570090489 430513107 /nfs/dbraw/zinc/51/31/07/430513107.db2.gz KFAOWQYQTVTFQS-VXGBXAGGSA-N -1 3 316.430 2.876 20 0 DFADHM O=S(=O)(CCc1ccc(Cl)cc1)c1nc2c([n-]1)CCC2 ZINC000570135964 430515565 /nfs/dbraw/zinc/51/55/65/430515565.db2.gz UFKUWKDHXDMTFZ-UHFFFAOYSA-N -1 3 310.806 2.568 20 0 DFADHM COc1ccc(F)cc1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000636350237 430520489 /nfs/dbraw/zinc/52/04/89/430520489.db2.gz FFXHLQJGMLHIFL-LLVKDONJSA-N -1 3 323.349 2.790 20 0 DFADHM C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc2c([O-])coc2c1 ZINC000642608906 430520574 /nfs/dbraw/zinc/52/05/74/430520574.db2.gz UCBHEKDQGCOXGJ-GFCCVEGCSA-N -1 3 323.348 2.618 20 0 DFADHM Cc1ccc(NC(=O)COc2ccc3c([O-])coc3c2)c(C)c1 ZINC000642608809 430521074 /nfs/dbraw/zinc/52/10/74/430521074.db2.gz OVXUWKZSHPPCJT-UHFFFAOYSA-N -1 3 311.337 2.896 20 0 DFADHM C[C@H](NC(=O)COc1ccc2c([O-])coc2c1)c1cccs1 ZINC000642608558 430521154 /nfs/dbraw/zinc/52/11/54/430521154.db2.gz HFQSANYKKJAMJG-JTQLQIEISA-N -1 3 317.366 2.579 20 0 DFADHM CC(F)(F)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000549912234 430534773 /nfs/dbraw/zinc/53/47/73/430534773.db2.gz DZPYEQQHYMYWHX-UHFFFAOYSA-N -1 3 319.251 2.519 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)n[n-]1 ZINC000570395808 430539750 /nfs/dbraw/zinc/53/97/50/430539750.db2.gz WBGWXGMLNXRCSX-GMXVVIOVSA-N -1 3 312.373 2.855 20 0 DFADHM O=C([O-])C[C@H]1CCCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000641814803 430482226 /nfs/dbraw/zinc/48/22/26/430482226.db2.gz WEXIHIPSTCLHPO-HNNXBMFYSA-N -1 3 317.433 2.759 20 0 DFADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cscn2)c2ccccc21 ZINC000570566560 430555343 /nfs/dbraw/zinc/55/53/43/430555343.db2.gz AMSATUNUONSDFP-LBPRGKRZSA-N -1 3 308.428 2.844 20 0 DFADHM CN(C)CCn1cc(N=c2nc(C3CCCCC3)[n-]s2)cn1 ZINC000643182802 430555497 /nfs/dbraw/zinc/55/54/97/430555497.db2.gz WMLHVMNSTLUTIC-UHFFFAOYSA-N -1 3 320.466 2.509 20 0 DFADHM CC1(CSc2nnc([N-]c3ccccc3F)s2)COC1 ZINC000607757225 430559123 /nfs/dbraw/zinc/55/91/23/430559123.db2.gz IBEOWCQBTRXDQH-UHFFFAOYSA-N -1 3 311.407 3.549 20 0 DFADHM O=C(NCc1ccc(C2CC2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570648899 430562894 /nfs/dbraw/zinc/56/28/94/430562894.db2.gz KURSRBSTTVWIDM-UHFFFAOYSA-N -1 3 309.369 2.867 20 0 DFADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C)c(F)cc1Cl)C1CC1 ZINC000570720039 430570856 /nfs/dbraw/zinc/57/08/56/430570856.db2.gz XYMXBWLFLCPHEE-ZDUSSCGKSA-N -1 3 321.801 2.954 20 0 DFADHM Cc1nnc([N-]C(=O)c2cc3c(nc(C)cc3C)s2)s1 ZINC000613293942 430574644 /nfs/dbraw/zinc/57/46/44/430574644.db2.gz IMFVUZMANBNNJU-UHFFFAOYSA-N -1 3 304.400 3.325 20 0 DFADHM CCCCN(C)C[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000570790482 430576826 /nfs/dbraw/zinc/57/68/26/430576826.db2.gz TXJVTDJQAAFCKW-CYBMUJFWSA-N -1 3 324.446 2.832 20 0 DFADHM COc1cccc(OCC(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000552069210 430582663 /nfs/dbraw/zinc/58/26/63/430582663.db2.gz IODBOVSUJBWIAA-UHFFFAOYSA-N -1 3 315.325 2.621 20 0 DFADHM CCC[C@@H](C)c1cc(NC(=O)c2cc(C(F)(F)F)n[n-]2)n[nH]1 ZINC000616448465 430586865 /nfs/dbraw/zinc/58/68/65/430586865.db2.gz MVVHYPNVRHBARM-SSDOTTSWSA-N -1 3 315.299 3.308 20 0 DFADHM CCC[C@@H](C)c1cc(NC(=O)c2cc(C(F)(F)F)[n-]n2)n[nH]1 ZINC000616448465 430586867 /nfs/dbraw/zinc/58/68/67/430586867.db2.gz MVVHYPNVRHBARM-SSDOTTSWSA-N -1 3 315.299 3.308 20 0 DFADHM O=C(N[C@@H]1CCc2c1cccc2F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570984137 430594365 /nfs/dbraw/zinc/59/43/65/430594365.db2.gz SGQOTHBRTNCFSU-CYBMUJFWSA-N -1 3 313.332 2.616 20 0 DFADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000571830164 430655805 /nfs/dbraw/zinc/65/58/05/430655805.db2.gz OXNKNLYZZWYLNM-GXTWGEPZSA-N -1 3 316.430 2.876 20 0 DFADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cnn(Cc2ccncc2)c1 ZINC000571125807 430604821 /nfs/dbraw/zinc/60/48/21/430604821.db2.gz ALHDJZIAUNZILM-OAHLLOKOSA-N -1 3 322.434 2.647 20 0 DFADHM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cccc2nn[n-]c21 ZINC000552998978 430606106 /nfs/dbraw/zinc/60/61/06/430606106.db2.gz QNSWUVVYPCGAGA-SNVBAGLBSA-N -1 3 308.332 2.903 20 0 DFADHM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cccc2[n-]nnc21 ZINC000552998978 430606109 /nfs/dbraw/zinc/60/61/09/430606109.db2.gz QNSWUVVYPCGAGA-SNVBAGLBSA-N -1 3 308.332 2.903 20 0 DFADHM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cccc2n[n-]nc21 ZINC000552998978 430606112 /nfs/dbraw/zinc/60/61/12/430606112.db2.gz QNSWUVVYPCGAGA-SNVBAGLBSA-N -1 3 308.332 2.903 20 0 DFADHM CCCC[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)C(C)C ZINC000621925511 430607408 /nfs/dbraw/zinc/60/74/08/430607408.db2.gz CREKHNYBLHTDSK-GFCCVEGCSA-N -1 3 303.410 3.211 20 0 DFADHM CCCC[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)C(C)C ZINC000621925511 430607412 /nfs/dbraw/zinc/60/74/12/430607412.db2.gz CREKHNYBLHTDSK-GFCCVEGCSA-N -1 3 303.410 3.211 20 0 DFADHM COCc1nc(C(=O)[N-]c2ncc(-c3cccnc3)s2)co1 ZINC000553103902 430607938 /nfs/dbraw/zinc/60/79/38/430607938.db2.gz BTZWCIORLWUTTB-UHFFFAOYSA-N -1 3 316.342 2.592 20 0 DFADHM Cc1csc(-c2nnc([N-]Cc3nccn3C(C)C)o2)c1 ZINC000622003068 430608582 /nfs/dbraw/zinc/60/85/82/430608582.db2.gz JVYPKAGDCHEELG-UHFFFAOYSA-N -1 3 303.391 3.496 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553127635 430609469 /nfs/dbraw/zinc/60/94/69/430609469.db2.gz LBNDISHDUUOEJQ-OSMZGAPFSA-N -1 3 301.390 2.853 20 0 DFADHM CN(CCOc1cccc(Cl)c1)C(=O)Cc1cncc([O-])c1 ZINC000553211568 430610918 /nfs/dbraw/zinc/61/09/18/430610918.db2.gz XBPBFOIVICWLAZ-UHFFFAOYSA-N -1 3 320.776 2.521 20 0 DFADHM O=C([O-])c1ccc(CN2CCC[C@@]3(CCCOC3)C2)c(F)c1 ZINC000571411021 430626778 /nfs/dbraw/zinc/62/67/78/430626778.db2.gz ZLUUKIHPUOXQNK-QGZVFWFLSA-N -1 3 307.365 2.917 20 0 DFADHM CC(C)(C[N-]S(=O)(=O)c1cscn1)c1cccc(F)c1 ZINC000571437131 430627601 /nfs/dbraw/zinc/62/76/01/430627601.db2.gz VBWNBHSZMDJUKH-UHFFFAOYSA-N -1 3 314.407 2.538 20 0 DFADHM O=C(NC1(CCO)CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000554182307 430630269 /nfs/dbraw/zinc/63/02/69/430630269.db2.gz QQYAPBBQVZRCPW-UHFFFAOYSA-N -1 3 311.381 2.628 20 0 DFADHM COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])cc1F ZINC000639408359 430636310 /nfs/dbraw/zinc/63/63/10/430636310.db2.gz LIRSRXRCYHXPAZ-INIZCTEOSA-N -1 3 316.332 2.744 20 0 DFADHM O=S(=O)([N-][C@H](CC1CCC1)c1ccccc1)c1c[nH]cn1 ZINC000554493763 430637895 /nfs/dbraw/zinc/63/78/95/430637895.db2.gz SCSRKYQSZHITBM-CQSZACIVSA-N -1 3 305.403 2.620 20 0 DFADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc2ncccn2n1 ZINC000643929862 430642846 /nfs/dbraw/zinc/64/28/46/430642846.db2.gz GULDZYRNWOSVIH-UHFFFAOYSA-N -1 3 319.324 2.945 20 0 DFADHM Cc1nc(=NC[C@H](CN(C)C)c2ccc(Cl)cc2)s[n-]1 ZINC000571646933 430643119 /nfs/dbraw/zinc/64/31/19/430643119.db2.gz WSDLYYQONNYCPF-GFCCVEGCSA-N -1 3 310.854 2.679 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H](n3ccnc3C)C2)ccc1[O-] ZINC000643974933 430646045 /nfs/dbraw/zinc/64/60/45/430646045.db2.gz BKMINSQWSJARLO-INIZCTEOSA-N -1 3 313.401 2.937 20 0 DFADHM COc1cccc2c(C(=O)Nc3c(C)noc3C3CC3)[n-]nc21 ZINC000571721641 430647198 /nfs/dbraw/zinc/64/71/98/430647198.db2.gz PWMZTKFHYJZFDW-UHFFFAOYSA-N -1 3 312.329 2.998 20 0 DFADHM COCCOc1ccc(NC(=O)c2cc(C(F)F)[n-]n2)cc1 ZINC000639525530 430663177 /nfs/dbraw/zinc/66/31/77/430663177.db2.gz ZLIWAEFRZDZLHY-UHFFFAOYSA-N -1 3 311.288 2.625 20 0 DFADHM Cc1ccc(-c2cnc(CN3CC[C@H](C(=O)[O-])[C@@H]3C)o2)cc1 ZINC000572048789 430669404 /nfs/dbraw/zinc/66/94/04/430669404.db2.gz HQTQCYNGRPRJDX-JSGCOSHPSA-N -1 3 300.358 2.945 20 0 DFADHM CCO[C@@H]1C[C@H](N[C@H](C)c2nc(C)cc(=O)[n-]2)C12CCCC2 ZINC000572108672 430671632 /nfs/dbraw/zinc/67/16/32/430671632.db2.gz RRGKKBPKQPQZCO-HZSPNIEDSA-N -1 3 305.422 2.879 20 0 DFADHM CCc1cc(C(=O)NCCOc2ccccc2OC)ccc1[O-] ZINC000572187656 430675906 /nfs/dbraw/zinc/67/59/06/430675906.db2.gz PMWQSCACZFVIAP-UHFFFAOYSA-N -1 3 315.369 2.772 20 0 DFADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000555948397 430677273 /nfs/dbraw/zinc/67/72/73/430677273.db2.gz YODLLOYKNRCLNG-UHFFFAOYSA-N -1 3 310.341 2.813 20 0 DFADHM Cc1ccc(CCN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000572250035 430678519 /nfs/dbraw/zinc/67/85/19/430678519.db2.gz CWZVFEGUAMFXBR-CQSZACIVSA-N -1 3 301.308 2.877 20 0 DFADHM COc1cccc2c(CNC3(c4nn[n-]n4)CCCC3)cccc12 ZINC000556148721 430680307 /nfs/dbraw/zinc/68/03/07/430680307.db2.gz LKQFTDXXVYULFR-UHFFFAOYSA-N -1 3 323.400 2.921 20 0 DFADHM COc1cccc2c(CNC3(c4nnn[n-]4)CCCC3)cccc12 ZINC000556148721 430680310 /nfs/dbraw/zinc/68/03/10/430680310.db2.gz LKQFTDXXVYULFR-UHFFFAOYSA-N -1 3 323.400 2.921 20 0 DFADHM CC1(C)CCC[C@@H](CC(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC000407999872 278225479 /nfs/dbraw/zinc/22/54/79/278225479.db2.gz ZNXPDIHVSBKMQU-LBPRGKRZSA-N -1 3 303.406 2.673 20 0 DFADHM COc1cc2c(c(CN3CCC[C@H](CC(=O)[O-])C3)c1)O[C@H](C)C2 ZINC000556919426 430695690 /nfs/dbraw/zinc/69/56/90/430695690.db2.gz TYKTXENYRMTJLJ-CHWSQXEVSA-N -1 3 319.401 2.705 20 0 DFADHM [O-]c1ccc(Cc2nc(COCC(F)(F)F)no2)cc1F ZINC000651185774 430729160 /nfs/dbraw/zinc/72/91/60/430729160.db2.gz IGWVHMXVNJDVOG-UHFFFAOYSA-N -1 3 306.215 2.584 20 0 DFADHM CCn1nccc1[C@@H]1OCC[C@H]1NCc1cccc([O-])c1Cl 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CC(C)[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCN1C ZINC000436727798 297028800 /nfs/dbraw/zinc/02/88/00/297028800.db2.gz CNEJJSGBTSULHX-QGZVFWFLSA-N -1 3 316.445 2.683 20 0 DFADHM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436726057 297028888 /nfs/dbraw/zinc/02/88/88/297028888.db2.gz SJDFNRHTMZSBHP-WFASDCNBSA-N -1 3 303.402 2.958 20 0 DFADHM C[C@@H](C[C@H]1CCCO1)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436726056 297028994 /nfs/dbraw/zinc/02/89/94/297028994.db2.gz SJDFNRHTMZSBHP-SWLSCSKDSA-N -1 3 303.402 2.958 20 0 DFADHM COC(=O)c1ccc(C(=O)[N-]c2ccc(O)cc2SC)nc1 ZINC000436733064 297029531 /nfs/dbraw/zinc/02/95/31/297029531.db2.gz FPPDVLKVWSSVFX-UHFFFAOYSA-N -1 3 318.354 2.548 20 0 DFADHM Cc1cc(C(=O)Nc2ccccc2[O-])nn1-c1nc(C)cc(C)n1 ZINC000436735488 297029833 /nfs/dbraw/zinc/02/98/33/297029833.db2.gz CKQQSMKPRBJSTG-UHFFFAOYSA-N -1 3 323.356 2.545 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](CO)c2cccc(Cl)c2F)c([O-])c1 ZINC000436773671 297033300 /nfs/dbraw/zinc/03/33/00/297033300.db2.gz KFPMNLLLPDKDPS-ZDUSSCGKSA-N -1 3 323.751 2.957 20 0 DFADHM C[C@H](C[C@H](C)O)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436803358 297035190 /nfs/dbraw/zinc/03/51/90/297035190.db2.gz OOZGLKHUIVMUTR-KGLIPLIRSA-N -1 3 313.397 2.872 20 0 DFADHM CCOC(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])nc1C ZINC000436802323 297035386 /nfs/dbraw/zinc/03/53/86/297035386.db2.gz ZTBMJVXGTZRPCS-UHFFFAOYSA-N -1 3 318.304 2.664 20 0 DFADHM CCN(CCN1CCCCCC1)C(=O)c1cc(F)ccc1[O-] ZINC000436798887 297035409 /nfs/dbraw/zinc/03/54/09/297035409.db2.gz WNVZJPGPXLPMFS-UHFFFAOYSA-N -1 3 308.397 2.869 20 0 DFADHM CC[C@H](C)N(CC(=O)OC)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436798460 297035548 /nfs/dbraw/zinc/03/55/48/297035548.db2.gz TZYMTXNZFIUOCD-LBPRGKRZSA-N -1 3 319.401 2.685 20 0 DFADHM C[C@@H](O)C[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436803362 297035560 /nfs/dbraw/zinc/03/55/60/297035560.db2.gz OOZGLKHUIVMUTR-ZIAGYGMSSA-N -1 3 313.397 2.872 20 0 DFADHM CCc1ccc(C(=O)NCc2cccc(OC)c2OC)c([O-])c1 ZINC000436805520 297035732 /nfs/dbraw/zinc/03/57/32/297035732.db2.gz DHSLVBWVVMVGGZ-UHFFFAOYSA-N -1 3 315.369 2.902 20 0 DFADHM COc1ccc2c(c1)[C@@H](NC(=O)c1ccc([O-])c(C)c1)CCO2 ZINC000436810060 297036117 /nfs/dbraw/zinc/03/61/17/297036117.db2.gz WDXDEXPIBBCORH-HNNXBMFYSA-N -1 3 313.353 2.963 20 0 DFADHM COCCN(C(=O)c1ccc(C)cc1[O-])[C@@H]1CCCSC1 ZINC000436809696 297036194 /nfs/dbraw/zinc/03/61/94/297036194.db2.gz PKDSUEQJAYDNEE-CYBMUJFWSA-N -1 3 309.431 2.685 20 0 DFADHM COCCN(C(=O)c1ccc([O-])c(C)c1)[C@H]1CCCSC1 ZINC000436809442 297036290 /nfs/dbraw/zinc/03/62/90/297036290.db2.gz OUENZBMNKZLREJ-AWEZNQCLSA-N -1 3 309.431 2.685 20 0 DFADHM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])CCCN1C ZINC000436824791 297037450 /nfs/dbraw/zinc/03/74/50/297037450.db2.gz DBGRIWGLICRTQE-LDYMZIIASA-N -1 3 317.216 2.912 20 0 DFADHM COCCN(C(=O)c1cccc(C)c1[O-])[C@@H]1CCCSC1 ZINC000436809998 297036368 /nfs/dbraw/zinc/03/63/68/297036368.db2.gz QKXCGSRJGRWSMA-CYBMUJFWSA-N -1 3 309.431 2.685 20 0 DFADHM CS[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])C(C)(C)C ZINC000436827880 297037828 /nfs/dbraw/zinc/03/78/28/297037828.db2.gz OZDATDWFKVAVHU-AWEZNQCLSA-N -1 3 324.446 2.858 20 0 DFADHM CCc1ccc(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([O-])c1 ZINC000436830461 297038049 /nfs/dbraw/zinc/03/80/49/297038049.db2.gz DHCMUQXFNAUCOP-IMJJTQAJSA-N -1 3 303.402 2.888 20 0 DFADHM CCOC(=O)CN(C(=O)c1ccc(CC)cc1[O-])C1CCCC1 ZINC000436829262 297038116 /nfs/dbraw/zinc/03/81/16/297038116.db2.gz LCSODSCBAULDHJ-UHFFFAOYSA-N -1 3 319.401 2.903 20 0 DFADHM CCc1ccc(C(=O)N[C@H](CO)c2c(F)cccc2F)c([O-])c1 ZINC000436836350 297038820 /nfs/dbraw/zinc/03/88/20/297038820.db2.gz DARJVROQFYJBSD-CQSZACIVSA-N -1 3 321.323 2.696 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](CCOC)Cc2ccco2)c([O-])c1 ZINC000436838427 297038861 /nfs/dbraw/zinc/03/88/61/297038861.db2.gz KNWKTUSSDBIBLZ-AWEZNQCLSA-N -1 3 317.385 2.925 20 0 DFADHM CN(CC[C@@H]1CCCO1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436838210 297038965 /nfs/dbraw/zinc/03/89/65/297038965.db2.gz IQEUSODCUFPWEA-HNNXBMFYSA-N -1 3 303.402 2.912 20 0 DFADHM CCOC(=O)[C@H](CC)N(C(=O)c1cc(CC)ccc1[O-])C1CC1 ZINC000436841306 297039228 /nfs/dbraw/zinc/03/92/28/297039228.db2.gz YSNNXCSGTNHEHB-HNNXBMFYSA-N -1 3 319.401 2.901 20 0 DFADHM CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436855933 297039936 /nfs/dbraw/zinc/03/99/36/297039936.db2.gz YBQIPBLMDBMSIB-UHFFFAOYSA-N -1 3 312.325 2.806 20 0 DFADHM O=C(NCc1ccno1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436859261 297040436 /nfs/dbraw/zinc/04/04/36/297040436.db2.gz AFIWHNCTKSNAPW-UHFFFAOYSA-N -1 3 308.337 2.901 20 0 DFADHM COc1ccc(CN(C)C(=O)c2ccc([O-])c(C)c2)cc1O ZINC000436904912 297043555 /nfs/dbraw/zinc/04/35/55/297043555.db2.gz RCSFLADNQPUIFI-UHFFFAOYSA-N -1 3 301.342 2.687 20 0 DFADHM Cc1cccc(-c2nc(Cc3cn4ccccc4n3)no2)c1[O-] ZINC000436888197 297041977 /nfs/dbraw/zinc/04/19/77/297041977.db2.gz QUYSANJSJVDSMK-UHFFFAOYSA-N -1 3 306.325 2.989 20 0 DFADHM Cc1cccc(-c2nc(CC(=O)NC3CCCCC3)no2)c1[O-] ZINC000436885625 297042121 /nfs/dbraw/zinc/04/21/21/297042121.db2.gz HVNPPWSWDFTQRO-UHFFFAOYSA-N -1 3 315.373 2.742 20 0 DFADHM COc1cccc(C(=O)NCC2(OC)CCC(C)CC2)c1[O-] ZINC000436890468 297042363 /nfs/dbraw/zinc/04/23/63/297042363.db2.gz BUOSSRPIGQXPAV-UHFFFAOYSA-N -1 3 307.390 2.726 20 0 DFADHM CC(C)[C@@H](CO)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436892629 297042716 /nfs/dbraw/zinc/04/27/16/297042716.db2.gz KUELNHJZGRETAB-QGZVFWFLSA-N -1 3 313.397 2.730 20 0 DFADHM COc1cc(C)cc(-c2nc(Cc3cscn3)no2)c1[O-] ZINC000436894306 297042734 /nfs/dbraw/zinc/04/27/34/297042734.db2.gz FISYWSSFJFLRTD-UHFFFAOYSA-N -1 3 303.343 2.807 20 0 DFADHM CCCCNC(=O)Cc1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000436894973 297042736 /nfs/dbraw/zinc/04/27/36/297042736.db2.gz HGMOXFXGBPAROQ-UHFFFAOYSA-N -1 3 303.362 2.518 20 0 DFADHM CCc1nnc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])[nH]1 ZINC000436910093 297043847 /nfs/dbraw/zinc/04/38/47/297043847.db2.gz BXUSFYXCWYPMHG-SNVBAGLBSA-N -1 3 302.378 2.687 20 0 DFADHM COC(=O)c1ccc(NC(=O)c2cccc(C)c2[O-])cc1OC ZINC000436916161 297044544 /nfs/dbraw/zinc/04/45/44/297044544.db2.gz RYJPRNFMLATQEA-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000436927999 297045467 /nfs/dbraw/zinc/04/54/67/297045467.db2.gz AXSYFEOTFQTQCR-LSDHHAIUSA-N -1 3 319.401 2.942 20 0 DFADHM CC[C@H]1CN(C(=O)c2ccc([O-])c(C)c2)[C@@H](CC)CN1C(C)=O ZINC000436935523 297046026 /nfs/dbraw/zinc/04/60/26/297046026.db2.gz CSCLRYSHDIPQHS-HOTGVXAUSA-N -1 3 318.417 2.562 20 0 DFADHM CCC1CCC(NC(=O)c2ccc([O-])c(C)c2)(C(=O)OC)CC1 ZINC000436938730 297046208 /nfs/dbraw/zinc/04/62/08/297046208.db2.gz MIICZJNQNVJZTE-UHFFFAOYSA-N -1 3 319.401 2.942 20 0 DFADHM Cc1cc(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)ccc1[O-] ZINC000436937278 297046519 /nfs/dbraw/zinc/04/65/19/297046519.db2.gz FECZZIAJGFHHAF-HNNXBMFYSA-N -1 3 313.401 2.765 20 0 DFADHM COC(=O)[C@@H]1CN(C(=O)c2ccc([O-])c(C)c2)c2ccccc21 ZINC000436940739 297046928 /nfs/dbraw/zinc/04/69/28/297046928.db2.gz YCLJFYQBAOWDPO-CQSZACIVSA-N -1 3 311.337 2.618 20 0 DFADHM CCn1nc(C(=O)Nc2c(C)cccc2[O-])c(=O)c2ccccc21 ZINC000436947428 297047005 /nfs/dbraw/zinc/04/70/05/297047005.db2.gz DQMZINDUEIBTTJ-UHFFFAOYSA-N -1 3 323.352 2.683 20 0 DFADHM CCOC(=O)c1ccc(C(=O)Nc2c(C)cccc2[O-])nc1C ZINC000436951478 297047373 /nfs/dbraw/zinc/04/73/73/297047373.db2.gz QZSHETMLYVPNPA-UHFFFAOYSA-N -1 3 314.341 2.833 20 0 DFADHM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436964717 297048214 /nfs/dbraw/zinc/04/82/14/297048214.db2.gz SBUAFQKCEIYBIQ-JSGCOSHPSA-N -1 3 303.402 2.958 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc3ccn(C)c(=O)c3c2)c1[O-] ZINC000436968194 297048475 /nfs/dbraw/zinc/04/84/75/297048475.db2.gz SXZNLAZTUOFANU-UHFFFAOYSA-N -1 3 308.337 2.805 20 0 DFADHM CC[C@@H](C)CN(CC)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436969353 297048619 /nfs/dbraw/zinc/04/86/19/297048619.db2.gz ZSKMHHAJVMEBLD-CYBMUJFWSA-N -1 3 320.433 2.715 20 0 DFADHM Cc1ccc(C(=O)NCc2noc(-c3ccccc3C)n2)c([O-])c1 ZINC000436977545 297049191 /nfs/dbraw/zinc/04/91/91/297049191.db2.gz DUMRAJQRZFURCX-UHFFFAOYSA-N -1 3 323.352 2.989 20 0 DFADHM O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc2c(c1[O-])CCCC2 ZINC000436977208 297049362 /nfs/dbraw/zinc/04/93/62/297049362.db2.gz QRPMCHGMKTWVEQ-XJKSGUPXSA-N -1 3 303.402 2.552 20 0 DFADHM Cn1cnc(-c2ccc(-c3nc(-c4ccc([O-])cc4)no3)cc2)n1 ZINC000436980144 297049874 /nfs/dbraw/zinc/04/98/74/297049874.db2.gz MNQOTZOEVDZSMX-UHFFFAOYSA-N -1 3 319.324 2.905 20 0 DFADHM C[C@]1(NC(=O)c2ccc3c(c2[O-])CCCC3)CCO[C@H]1C1CC1 ZINC000436982614 297049904 /nfs/dbraw/zinc/04/99/04/297049904.db2.gz UJHRXJUFKXSILT-HKUYNNGSSA-N -1 3 315.413 2.958 20 0 DFADHM CCCCOc1ccc(C(=O)NCC[C@@H](O)C(C)C)c([O-])c1 ZINC000436985953 297050041 /nfs/dbraw/zinc/05/00/41/297050041.db2.gz IRJQDVAKOIRJSR-OAHLLOKOSA-N -1 3 309.406 2.708 20 0 DFADHM CCc1ccc(C(=O)N[C@@](C)(c2noc(C)n2)C2CC2)c([O-])c1 ZINC000436987499 297050314 /nfs/dbraw/zinc/05/03/14/297050314.db2.gz IBSNCHGCOPHHHE-QGZVFWFLSA-N -1 3 315.373 2.701 20 0 DFADHM CCCCOc1ccc(C(=O)N(C)Cc2ncc[nH]2)c([O-])c1 ZINC000436984594 297050325 /nfs/dbraw/zinc/05/03/25/297050325.db2.gz CLBQHAVYLFKFAP-UHFFFAOYSA-N -1 3 303.362 2.566 20 0 DFADHM O=C(CNC(=O)c1ccc2c(c1[O-])CCCC2)c1cccs1 ZINC000436986104 297050420 /nfs/dbraw/zinc/05/04/20/297050420.db2.gz JEKLPSFNPXJOMM-UHFFFAOYSA-N -1 3 315.394 2.945 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](CO)CC(C)C)c([O-])c1 ZINC000436990637 297050557 /nfs/dbraw/zinc/05/05/57/297050557.db2.gz VHRJLYSDLDPVFQ-ZDUSSCGKSA-N -1 3 309.406 2.708 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](C)CC(=O)OCC)c([O-])c1 ZINC000436989399 297050618 /nfs/dbraw/zinc/05/06/18/297050618.db2.gz RFQUZBQIAVTKNF-LBPRGKRZSA-N -1 3 323.389 2.643 20 0 DFADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])nc(C)n1 ZINC000436990776 297050668 /nfs/dbraw/zinc/05/06/68/297050668.db2.gz WBDYDLXLTBFTJP-UHFFFAOYSA-N -1 3 322.162 2.814 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)c([O-])c1C ZINC000437004298 297052323 /nfs/dbraw/zinc/05/23/23/297052323.db2.gz MGIIFQJCWRGISL-QZTJIDSGSA-N -1 3 324.424 2.837 20 0 DFADHM 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C[C@@H]1CCN(Cc2ccc3c(c2)OCCCCO3)C[C@H]1C(=O)[O-] ZINC000567866463 302394694 /nfs/dbraw/zinc/39/46/94/302394694.db2.gz WTIHPTPTPFTHBX-UKRRQHHQSA-N -1 3 319.401 2.781 20 0 DFADHM CC(=O)c1cccc(NC(=O)C(C)(C)COCC(F)F)c1[O-] ZINC000567955308 302403088 /nfs/dbraw/zinc/40/30/88/302403088.db2.gz ZZVXQVBNHLNOMK-UHFFFAOYSA-N -1 3 315.316 2.841 20 0 DFADHM COC(=O)C[C@@H](C)CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000568208349 302429844 /nfs/dbraw/zinc/42/98/44/302429844.db2.gz XIZNNUVMGVYQAE-NWDGAFQWSA-N -1 3 305.374 2.822 20 0 DFADHM CC(=O)c1cccc(NC(=O)CSc2ccncc2)c1[O-] ZINC000568794019 302478130 /nfs/dbraw/zinc/47/81/30/302478130.db2.gz JXRZNHFBSJCBTP-UHFFFAOYSA-N -1 3 302.355 2.721 20 0 DFADHM Cc1cc(C)n(CCSCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000569094744 302498055 /nfs/dbraw/zinc/49/80/55/302498055.db2.gz QNWVMVGSSGVCBY-UHFFFAOYSA-N -1 3 304.419 2.806 20 0 DFADHM CCO[C@@H]1C[C@@H](N[C@H](C)c2nc(C)cc(=O)[n-]2)C12CCCC2 ZINC000572108674 302643078 /nfs/dbraw/zinc/64/30/78/302643078.db2.gz 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ZINC000180922202 316045914 /nfs/dbraw/zinc/04/59/14/316045914.db2.gz SMJQFZXDRIYHTN-UHFFFAOYSA-N -1 3 319.386 2.779 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2cc3c(s2)CCCC3)[n-]n1 ZINC000180922202 316045917 /nfs/dbraw/zinc/04/59/17/316045917.db2.gz SMJQFZXDRIYHTN-UHFFFAOYSA-N -1 3 319.386 2.779 20 0 DFADHM CCOC(=O)c1cc(NC(=O)CCCc2cccs2)n[n-]1 ZINC000180934025 316046011 /nfs/dbraw/zinc/04/60/11/316046011.db2.gz ZCTULNKSJPVLMT-UHFFFAOYSA-N -1 3 307.375 2.609 20 0 DFADHM CCOC(=O)c1cc(NC(=O)CCCc2cccs2)[n-]n1 ZINC000180934025 316046015 /nfs/dbraw/zinc/04/60/15/316046015.db2.gz ZCTULNKSJPVLMT-UHFFFAOYSA-N -1 3 307.375 2.609 20 0 DFADHM CCCOc1cccc(C(=O)Nc2cc(C(=O)OCC)[n-]n2)c1 ZINC000180925397 316046105 /nfs/dbraw/zinc/04/61/05/316046105.db2.gz BPRSGQFYHVOPLJ-UHFFFAOYSA-N -1 3 317.345 2.628 20 0 DFADHM CCCOc1cccc(C(=O)Nc2cc(C(=O)OCC)n[n-]2)c1 ZINC000180925397 316046108 /nfs/dbraw/zinc/04/61/08/316046108.db2.gz BPRSGQFYHVOPLJ-UHFFFAOYSA-N -1 3 317.345 2.628 20 0 DFADHM O=C(Nc1ncccc1[O-])[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000181004107 316048829 /nfs/dbraw/zinc/04/88/29/316048829.db2.gz HSRXAXHUOLFZDL-CQSZACIVSA-N -1 3 315.348 2.529 20 0 DFADHM O=C(NCCc1ccc(Cl)cc1)c1cccc2nn[n-]c21 ZINC000182666725 316112904 /nfs/dbraw/zinc/11/29/04/316112904.db2.gz XRMHZHGRZFCCBG-UHFFFAOYSA-N -1 3 300.749 2.584 20 0 DFADHM O=C(NCCc1ccc(Cl)cc1)c1cccc2[n-]nnc21 ZINC000182666725 316112910 /nfs/dbraw/zinc/11/29/10/316112910.db2.gz XRMHZHGRZFCCBG-UHFFFAOYSA-N -1 3 300.749 2.584 20 0 DFADHM O=C(NCCc1ccc(Cl)cc1)c1cccc2n[n-]nc21 ZINC000182666725 316112912 /nfs/dbraw/zinc/11/29/12/316112912.db2.gz XRMHZHGRZFCCBG-UHFFFAOYSA-N -1 3 300.749 2.584 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H]1Cc1ccccc1 ZINC000182695558 316113509 /nfs/dbraw/zinc/11/35/09/316113509.db2.gz KMHAGUPNFFRSGT-AWEZNQCLSA-N -1 3 306.369 2.805 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H]1Cc1ccccc1 ZINC000182695558 316113511 /nfs/dbraw/zinc/11/35/11/316113511.db2.gz KMHAGUPNFFRSGT-AWEZNQCLSA-N -1 3 306.369 2.805 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H]1Cc1ccccc1 ZINC000182695558 316113513 /nfs/dbraw/zinc/11/35/13/316113513.db2.gz KMHAGUPNFFRSGT-AWEZNQCLSA-N -1 3 306.369 2.805 20 0 DFADHM O=C(NCC1(c2ccc(F)cc2)CCC1)c1cccc2nn[n-]c21 ZINC000182754954 316116092 /nfs/dbraw/zinc/11/60/92/316116092.db2.gz CEKKYNCGBDHEBW-UHFFFAOYSA-N -1 3 324.359 2.949 20 0 DFADHM O=C(NCC1(c2ccc(F)cc2)CCC1)c1cccc2[n-]nnc21 ZINC000182754954 316116095 /nfs/dbraw/zinc/11/60/95/316116095.db2.gz CEKKYNCGBDHEBW-UHFFFAOYSA-N -1 3 324.359 2.949 20 0 DFADHM O=C(NCC1(c2ccc(F)cc2)CCC1)c1cccc2n[n-]nc21 ZINC000182754954 316116102 /nfs/dbraw/zinc/11/61/02/316116102.db2.gz CEKKYNCGBDHEBW-UHFFFAOYSA-N -1 3 324.359 2.949 20 0 DFADHM O=C(NCc1ccc(F)c(Cl)c1)c1cccc2nn[n-]c21 ZINC000182757537 316116312 /nfs/dbraw/zinc/11/63/12/316116312.db2.gz HVCHNJGDXSWGDE-UHFFFAOYSA-N -1 3 304.712 2.680 20 0 DFADHM O=C(NCc1ccc(F)c(Cl)c1)c1cccc2[n-]nnc21 ZINC000182757537 316116318 /nfs/dbraw/zinc/11/63/18/316116318.db2.gz HVCHNJGDXSWGDE-UHFFFAOYSA-N -1 3 304.712 2.680 20 0 DFADHM O=C(NCc1ccc(F)c(Cl)c1)c1cccc2n[n-]nc21 ZINC000182757537 316116320 /nfs/dbraw/zinc/11/63/20/316116320.db2.gz HVCHNJGDXSWGDE-UHFFFAOYSA-N -1 3 304.712 2.680 20 0 DFADHM Cc1nnc(-c2cccc(NC(=O)c3cccc4nn[n-]c43)c2)o1 ZINC000182784670 316118318 /nfs/dbraw/zinc/11/83/18/316118318.db2.gz ZHSSTPJQBGFSOU-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1nnc(-c2cccc(NC(=O)c3cccc4[n-]nnc43)c2)o1 ZINC000182784670 316118324 /nfs/dbraw/zinc/11/83/24/316118324.db2.gz ZHSSTPJQBGFSOU-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1nnc(-c2cccc(NC(=O)c3cccc4n[n-]nc43)c2)o1 ZINC000182784670 316118325 /nfs/dbraw/zinc/11/83/25/316118325.db2.gz ZHSSTPJQBGFSOU-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2cc(C)c(F)c(C)c2)n[n-]1 ZINC000183289639 316136107 /nfs/dbraw/zinc/13/61/07/316136107.db2.gz MITVVSMFFXOFTC-UHFFFAOYSA-N -1 3 305.309 2.595 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2cc(C)c(F)c(C)c2)[n-]n1 ZINC000183289639 316136110 /nfs/dbraw/zinc/13/61/10/316136110.db2.gz 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/nfs/dbraw/zinc/13/93/03/316139303.db2.gz PTJMBFSDUJYLTQ-UHFFFAOYSA-N -1 3 312.709 2.606 20 0 DFADHM COc1ccc(NC(=O)c2cccc3nn[n-]c32)c2cccnc12 ZINC000183475348 316144025 /nfs/dbraw/zinc/14/40/25/316144025.db2.gz ZJFOBQQNSDBVSC-UHFFFAOYSA-N -1 3 319.324 2.767 20 0 DFADHM COc1ccc(NC(=O)c2cccc3[n-]nnc32)c2cccnc12 ZINC000183475348 316144027 /nfs/dbraw/zinc/14/40/27/316144027.db2.gz ZJFOBQQNSDBVSC-UHFFFAOYSA-N -1 3 319.324 2.767 20 0 DFADHM COc1ccc(NC(=O)c2cccc3n[n-]nc32)c2cccnc12 ZINC000183475348 316144031 /nfs/dbraw/zinc/14/40/31/316144031.db2.gz ZJFOBQQNSDBVSC-UHFFFAOYSA-N -1 3 319.324 2.767 20 0 DFADHM COc1cc(Cl)ccc1CNC(=O)c1cccc2nn[n-]c21 ZINC000183586764 316147221 /nfs/dbraw/zinc/14/72/21/316147221.db2.gz GKQBHANMHGWTIX-UHFFFAOYSA-N -1 3 316.748 2.550 20 0 DFADHM COc1cc(Cl)ccc1CNC(=O)c1cccc2[n-]nnc21 ZINC000183586764 316147224 /nfs/dbraw/zinc/14/72/24/316147224.db2.gz GKQBHANMHGWTIX-UHFFFAOYSA-N -1 3 316.748 2.550 20 0 DFADHM COc1cc(Cl)ccc1CNC(=O)c1cccc2n[n-]nc21 ZINC000183586764 316147228 /nfs/dbraw/zinc/14/72/28/316147228.db2.gz GKQBHANMHGWTIX-UHFFFAOYSA-N -1 3 316.748 2.550 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@@H](COCC(C)C)c2ccco2)n1 ZINC000184164622 316160837 /nfs/dbraw/zinc/16/08/37/316160837.db2.gz WGEYVQLGGXFXHR-AWEZNQCLSA-N -1 3 319.405 2.841 20 0 DFADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cc(F)c(F)c(F)c1F ZINC000184616616 316171469 /nfs/dbraw/zinc/17/14/69/316171469.db2.gz GCDQWFIZHDHQLV-UHFFFAOYSA-N -1 3 314.242 2.881 20 0 DFADHM C[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1nccs1 ZINC000186015068 316195476 /nfs/dbraw/zinc/19/54/76/316195476.db2.gz SVIQSMXGAAFUKY-JTQLQIEISA-N -1 3 313.382 2.518 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)Nc2cnn([C@@H](C)C3CC3)c2)on1 ZINC000187482658 316211247 /nfs/dbraw/zinc/21/12/47/316211247.db2.gz HITWLGISTLJSKL-QWRGUYRKSA-N -1 3 303.366 2.590 20 0 DFADHM Cc1ccc(C(C)(C)CNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000187750767 316214159 /nfs/dbraw/zinc/21/41/59/316214159.db2.gz CZTOGDISSDYFCP-UHFFFAOYSA-N -1 3 308.385 2.974 20 0 DFADHM Cc1ccc(C(C)(C)CNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000187750767 316214164 /nfs/dbraw/zinc/21/41/64/316214164.db2.gz CZTOGDISSDYFCP-UHFFFAOYSA-N -1 3 308.385 2.974 20 0 DFADHM Cc1ccc(C(C)(C)CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187750767 316214169 /nfs/dbraw/zinc/21/41/69/316214169.db2.gz CZTOGDISSDYFCP-UHFFFAOYSA-N -1 3 308.385 2.974 20 0 DFADHM CC[C@H](CNC(=O)c1cccc2nn[n-]c21)Oc1cccc(C)c1 ZINC000188304597 316220359 /nfs/dbraw/zinc/22/03/59/316220359.db2.gz CWDQFPHLCFYVEN-CYBMUJFWSA-N -1 3 324.384 2.854 20 0 DFADHM CC[C@H](CNC(=O)c1cccc2[n-]nnc21)Oc1cccc(C)c1 ZINC000188304597 316220360 /nfs/dbraw/zinc/22/03/60/316220360.db2.gz CWDQFPHLCFYVEN-CYBMUJFWSA-N -1 3 324.384 2.854 20 0 DFADHM CC[C@H](CNC(=O)c1cccc2n[n-]nc21)Oc1cccc(C)c1 ZINC000188304597 316220363 /nfs/dbraw/zinc/22/03/63/316220363.db2.gz CWDQFPHLCFYVEN-CYBMUJFWSA-N -1 3 324.384 2.854 20 0 DFADHM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cccc2nn[n-]c21 ZINC000188330146 316220393 /nfs/dbraw/zinc/22/03/93/316220393.db2.gz FEXUYICWSZWTCH-LBPRGKRZSA-N -1 3 312.295 2.809 20 0 DFADHM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cccc2[n-]nnc21 ZINC000188330146 316220395 /nfs/dbraw/zinc/22/03/95/316220395.db2.gz FEXUYICWSZWTCH-LBPRGKRZSA-N -1 3 312.295 2.809 20 0 DFADHM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000188330146 316220397 /nfs/dbraw/zinc/22/03/97/316220397.db2.gz FEXUYICWSZWTCH-LBPRGKRZSA-N -1 3 312.295 2.809 20 0 DFADHM COc1cc(NCc2cc([O-])ccc2Br)nn1C ZINC000315433599 316242265 /nfs/dbraw/zinc/24/22/65/316242265.db2.gz OEIZTVDGDLMCTN-UHFFFAOYSA-N -1 3 312.167 2.509 20 0 DFADHM CCn1c(CNc2ccc3c(c2)C(=O)[N-]C3=O)nc2ccccc21 ZINC000324242644 316261054 /nfs/dbraw/zinc/26/10/54/316261054.db2.gz YFTCOIJXQAPWFW-UHFFFAOYSA-N -1 3 320.352 2.552 20 0 DFADHM CC[C@@H](C)n1ncc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1C ZINC000348695979 316327846 /nfs/dbraw/zinc/32/78/46/316327846.db2.gz BHVRBNIWFKUFNH-VXNVDRBHSA-N -1 3 318.299 2.540 20 0 DFADHM Cc1csc(CCc2nc(-c3ccc4n[n-]nc4c3)no2)n1 ZINC000350487772 316392201 /nfs/dbraw/zinc/39/22/01/316392201.db2.gz QBJMBKKNGYSJKS-UHFFFAOYSA-N -1 3 312.358 2.558 20 0 DFADHM O=C(CCc1nc(-c2ccc3n[n-]nc3c2)no1)c1ccccc1 ZINC000350487714 316392510 /nfs/dbraw/zinc/39/25/10/316392510.db2.gz PLMNMJLCVBTZMO-UHFFFAOYSA-N -1 3 319.324 2.823 20 0 DFADHM c1cc2nccnc2c(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000350494018 316393055 /nfs/dbraw/zinc/39/30/55/316393055.db2.gz BWQKTONYGAWLKO-UHFFFAOYSA-N -1 3 315.296 2.618 20 0 DFADHM Cc1c(-c2nc(-c3ccc4n[n-]nc4c3)no2)cnn1C(C)(C)C ZINC000350491422 316393325 /nfs/dbraw/zinc/39/33/25/316393325.db2.gz WUUWXEJKKMXUBQ-UHFFFAOYSA-N -1 3 323.360 2.935 20 0 DFADHM COC(=O)c1ccc(-c2nc(COc3ccccc3C)no2)[n-]1 ZINC000350529142 316396716 /nfs/dbraw/zinc/39/67/16/316396716.db2.gz QZRGDBINJHRLGL-UHFFFAOYSA-N -1 3 313.313 2.739 20 0 DFADHM CC(C)Oc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)ccn1 ZINC000350527714 316396982 /nfs/dbraw/zinc/39/69/82/316396982.db2.gz YFVVJYJDUPWCRL-UHFFFAOYSA-N -1 3 322.328 2.857 20 0 DFADHM CC(=O)N[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)c1ccccc1 ZINC000350576762 316406159 /nfs/dbraw/zinc/40/61/59/316406159.db2.gz INEFEEUXWVPFEP-INIZCTEOSA-N -1 3 323.352 2.862 20 0 DFADHM COc1cc(-c2nc(CCc3ccco3)no2)cc(OC)c1[O-] ZINC000350578738 316406805 /nfs/dbraw/zinc/40/68/05/316406805.db2.gz JZIPWAWTKXUTHR-UHFFFAOYSA-N -1 3 316.313 2.838 20 0 DFADHM CC[C@@H]1C[C@@H](Cc2nc(-c3ccc4n[n-]nc4c3)no2)CCO1 ZINC000351456193 316519721 /nfs/dbraw/zinc/51/97/21/316519721.db2.gz INJOMENHKWLSMC-CMPLNLGQSA-N -1 3 313.361 2.756 20 0 DFADHM CCn1ccc(CNCc2cccc([O-])c2Br)n1 ZINC000414478217 316603032 /nfs/dbraw/zinc/60/30/32/316603032.db2.gz FNUHVXLZXIJUMM-UHFFFAOYSA-N -1 3 310.195 2.661 20 0 DFADHM COc1ccc2nc(CN[C@@H](CC(=O)[O-])C(C)C)sc2c1 ZINC000426782182 316826813 /nfs/dbraw/zinc/82/68/13/316826813.db2.gz DQVLJNCVAILTLX-LBPRGKRZSA-N -1 3 308.403 2.894 20 0 DFADHM CCCC[C@@H](CCC)CNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000427147250 316836136 /nfs/dbraw/zinc/83/61/36/316836136.db2.gz KMHRRPWNTWDKGV-CQSZACIVSA-N -1 3 320.433 2.845 20 0 DFADHM O=C(NCc1ncccc1[O-])c1ccncc1Oc1ccccc1 ZINC000442816817 316944473 /nfs/dbraw/zinc/94/44/73/316944473.db2.gz YCBRXYRRLLHFJK-UHFFFAOYSA-N -1 3 321.336 2.905 20 0 DFADHM COc1cc(C(=O)N2CCc3cc(F)ccc3C2)ccc1[O-] ZINC000442820323 316945263 /nfs/dbraw/zinc/94/52/63/316945263.db2.gz KLWSSDCZUWCICG-UHFFFAOYSA-N -1 3 301.317 2.738 20 0 DFADHM Cc1ncc(CNC(=O)NCC[C@H](C)CC(C)(C)C)c(=O)[n-]1 ZINC000443181861 316952726 /nfs/dbraw/zinc/95/27/26/316952726.db2.gz IFBLKGZZOZOZKJ-NSHDSACASA-N -1 3 308.426 2.752 20 0 DFADHM Cc1ccc(NC(=O)c2cc[nH]c(=O)c2Br)c([O-])c1 ZINC000445249872 316986924 /nfs/dbraw/zinc/98/69/24/316986924.db2.gz ONGHMOOWDYKYOA-UHFFFAOYSA-N -1 3 323.146 2.816 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCOC2(CCCC2)C1 ZINC000450156937 317064129 /nfs/dbraw/zinc/06/41/29/317064129.db2.gz MAQDGNWGXDXTSZ-ZDUSSCGKSA-N -1 3 307.365 2.682 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H](CCO)C1CCCCC1 ZINC000450189980 317066472 /nfs/dbraw/zinc/06/64/72/317066472.db2.gz 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/nfs/dbraw/zinc/55/78/08/323557808.db2.gz NWNZZBDTGHOGHI-INIZCTEOSA-N -1 3 307.365 2.842 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2C2CC2)s1 ZINC000582110943 323618403 /nfs/dbraw/zinc/61/84/03/323618403.db2.gz GRNPTTASJQNIOM-RYUDHWBXSA-N -1 3 300.449 2.556 20 0 DFADHM O=S(=O)([N-]Cc1ccc(C2CC2)cc1F)c1cncc(F)c1 ZINC000582157684 323624129 /nfs/dbraw/zinc/62/41/29/323624129.db2.gz YBDDMAVEFWPBEH-UHFFFAOYSA-N -1 3 324.352 2.716 20 0 DFADHM O=C(c1ccc(C(=O)N2CC3(CC3)C2)cc1)c1cccc([O-])c1 ZINC000583125474 323799194 /nfs/dbraw/zinc/79/91/94/323799194.db2.gz YSGFSISRSJFBRD-UHFFFAOYSA-N -1 3 307.349 2.859 20 0 DFADHM CC(=O)c1cccc(NC(=O)COc2ccc(F)cc2)c1[O-] ZINC000583219940 323816854 /nfs/dbraw/zinc/81/68/54/323816854.db2.gz JQIIFQWMHJSTDR-UHFFFAOYSA-N -1 3 303.289 2.751 20 0 DFADHM Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1c([O-])cccc1Cl ZINC000583662446 323893745 /nfs/dbraw/zinc/89/37/45/323893745.db2.gz CVOCMFYZXXHJSY-VIFPVBQESA-N -1 3 305.765 2.838 20 0 DFADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Cc1cncc([O-])c1 ZINC000583763032 323911502 /nfs/dbraw/zinc/91/15/02/323911502.db2.gz NKVCOEXIOHRGBF-DOMZBBRYSA-N -1 3 314.360 2.873 20 0 DFADHM O=c1cc(-c2noc(-c3cc4c(s3)CCCC4)n2)nc[n-]1 ZINC000584112821 331832023 /nfs/dbraw/zinc/83/20/23/331832023.db2.gz MAKVBDNAGDHODT-UHFFFAOYSA-N -1 3 300.343 2.840 20 0 DFADHM CN(CCCOc1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC000584297137 332227842 /nfs/dbraw/zinc/22/78/42/332227842.db2.gz XMQJPWLSUBTREG-UHFFFAOYSA-N -1 3 300.358 2.681 20 0 DFADHM Cc1c(Br)cccc1NC([O-])=NOC(C)(C)CO ZINC000296606757 533713047 /nfs/dbraw/zinc/71/30/47/533713047.db2.gz WVXACHCOUQHSEM-UHFFFAOYSA-N -1 3 317.183 2.582 20 0 DFADHM Cc1c(Br)cccc1NC(=O)[N-]OC(C)(C)CO ZINC000296606757 533713061 /nfs/dbraw/zinc/71/30/61/533713061.db2.gz WVXACHCOUQHSEM-UHFFFAOYSA-N -1 3 317.183 2.582 20 0 DFADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000584356546 336132924 /nfs/dbraw/zinc/13/29/24/336132924.db2.gz RSRFIICLSCDLNA-OAHLLOKOSA-N -1 3 307.365 2.915 20 0 DFADHM C[C@H](c1ccccc1)[C@@H](O)CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000584356610 336148489 /nfs/dbraw/zinc/14/84/89/336148489.db2.gz VQMTWSLEHBJEAG-KDOFPFPSSA-N -1 3 313.397 2.981 20 0 DFADHM Cc1noc([C@@H](C)N(C)C(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000584360521 337101452 /nfs/dbraw/zinc/10/14/52/337101452.db2.gz JUAPYHBXGSXFPB-SNVBAGLBSA-N -1 3 315.373 2.796 20 0 DFADHM Cc1nc(C)c(CCC(=O)NC[C@H]2CCC[C@H]2C2CC2)c(=O)[n-]1 ZINC000584397196 337318029 /nfs/dbraw/zinc/31/80/29/337318029.db2.gz KQJICVSFEJAGLK-ZBFHGGJFSA-N -1 3 317.433 2.674 20 0 DFADHM Cc1cccc2nc(CN3CC[C@](C(=O)[O-])(C(C)C)C3)cn21 ZINC000584475410 337346383 /nfs/dbraw/zinc/34/63/83/337346383.db2.gz HXSORBANCITPKL-QGZVFWFLSA-N -1 3 301.390 2.575 20 0 DFADHM CC(C)c1cnc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000584538932 337359228 /nfs/dbraw/zinc/35/92/28/337359228.db2.gz FFORIQLYEQNERZ-UHFFFAOYSA-N -1 3 304.375 2.892 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2ccc(C)c(OC)c2C)[n-]1 ZINC000292842857 534042573 /nfs/dbraw/zinc/04/25/73/534042573.db2.gz YPRFIACPUOUYMX-UHFFFAOYSA-N -1 3 302.330 2.679 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2cccc(OC(C)C)c2)[n-]1 ZINC000295582080 534043877 /nfs/dbraw/zinc/04/38/77/534043877.db2.gz AEFMCWVPTZRYPJ-UHFFFAOYSA-N -1 3 302.330 2.841 20 0 DFADHM C[C@H]1C[C@@H](C(=O)NCc2nnc(C(F)(F)F)[n-]2)CC(C)(C)C1 ZINC000331116767 534075086 /nfs/dbraw/zinc/07/50/86/534075086.db2.gz MJKYPEJVBKPLDB-DTWKUNHWSA-N -1 3 318.343 2.902 20 0 DFADHM C[C@H]1C[C@@H](C(=O)NCc2n[n-]c(C(F)(F)F)n2)CC(C)(C)C1 ZINC000331116767 534075092 /nfs/dbraw/zinc/07/50/92/534075092.db2.gz MJKYPEJVBKPLDB-DTWKUNHWSA-N -1 3 318.343 2.902 20 0 DFADHM C[C@H]1C[C@@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC(C)(C)C1 ZINC000331116767 534075097 /nfs/dbraw/zinc/07/50/97/534075097.db2.gz MJKYPEJVBKPLDB-DTWKUNHWSA-N -1 3 318.343 2.902 20 0 DFADHM Cc1ccc([O-])c(CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)n1 ZINC000331913600 534196459 /nfs/dbraw/zinc/19/64/59/534196459.db2.gz KZDVCVWSTUKHJM-ZBFHGGJFSA-N -1 3 302.349 2.543 20 0 DFADHM O=C([O-])C1(NCc2ccc(Cl)c(Br)c2)CC1 ZINC000309765350 534486065 /nfs/dbraw/zinc/48/60/65/534486065.db2.gz NMHXQESIRXRFJJ-UHFFFAOYSA-N -1 3 304.571 2.809 20 0 DFADHM CC[C@@H](C(=O)[O-])N(C)Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000365050832 521881905 /nfs/dbraw/zinc/88/19/05/521881905.db2.gz BGTDJSDGGTUNGS-AWEZNQCLSA-N -1 3 307.781 2.821 20 0 DFADHM CCc1cnc(CCNC(=O)Cc2ccc([O-])cc2Cl)s1 ZINC000155106943 522004730 /nfs/dbraw/zinc/00/47/30/522004730.db2.gz XCEZPMAUCLDHAI-UHFFFAOYSA-N -1 3 324.833 2.966 20 0 DFADHM Clc1cccc(-c2noc([N-]Cc3n[nH]c(C4CC4)n3)n2)c1 ZINC000294945096 534642466 /nfs/dbraw/zinc/64/24/66/534642466.db2.gz LQHODNCDUFQRLS-UHFFFAOYSA-N -1 3 316.752 2.998 20 0 DFADHM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000246648061 523650350 /nfs/dbraw/zinc/65/03/50/523650350.db2.gz OEPFNSSGJNVENT-BHVCSQLQSA-N -1 3 309.431 2.510 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H]2c2noc(C)n2)ccc1[O-] ZINC000366001293 523755557 /nfs/dbraw/zinc/75/55/57/523755557.db2.gz OBRXLEKHSMTMEN-ZDUSSCGKSA-N -1 3 301.346 2.623 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)c([O-])c1 ZINC000364925938 523884876 /nfs/dbraw/zinc/88/48/76/523884876.db2.gz BXFXQCPYXJLVNC-ZDUSSCGKSA-N -1 3 315.373 2.666 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000154302706 524726534 /nfs/dbraw/zinc/72/65/34/524726534.db2.gz BFHKYWXASVAMAY-INIZCTEOSA-N -1 3 317.341 2.516 20 0 DFADHM C[C@]1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCO1 ZINC000156090228 525270619 /nfs/dbraw/zinc/27/06/19/525270619.db2.gz LQCMXHMPPXFTIL-GFCCVEGCSA-N -1 3 323.336 2.553 20 0 DFADHM CSc1nsc([N-]C(=O)c2cc(-c3cccs3)[nH]n2)n1 ZINC000156013286 526234610 /nfs/dbraw/zinc/23/46/10/526234610.db2.gz PUIFOWFQCTWFAD-UHFFFAOYSA-N -1 3 323.428 2.964 20 0 DFADHM O=C(c1cc([O-])c2ccccc2c1)N1CC(O)(c2ccccc2)C1 ZINC000365670057 526625607 /nfs/dbraw/zinc/62/56/07/526625607.db2.gz VKSUUIXHJKPECJ-UHFFFAOYSA-N -1 3 319.360 2.889 20 0 DFADHM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1csc(=O)[n-]1 ZINC000364183893 526942517 /nfs/dbraw/zinc/94/25/17/526942517.db2.gz AOAXPEPTHZSICD-SECBINFHSA-N -1 3 310.762 2.756 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@H]2CC=CCC2)c1 ZINC000330837993 527016994 /nfs/dbraw/zinc/01/69/94/527016994.db2.gz RWHSNASBGIZKPN-ZDUSSCGKSA-N -1 3 302.374 2.779 20 0 DFADHM O=S(=O)([N-]C[C@H]1C[C@]12CCCc1ccccc12)c1ccco1 ZINC000364115114 527228571 /nfs/dbraw/zinc/22/85/71/527228571.db2.gz HSRMTPKYQWUSDL-RHSMWYFYSA-N -1 3 317.410 2.852 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCO[C@H](c2ccco2)C1 ZINC000158332127 527240900 /nfs/dbraw/zinc/24/09/00/527240900.db2.gz VDOYEQVAUZYCFG-HNNXBMFYSA-N -1 3 321.760 2.781 20 0 DFADHM O=C(Nc1cccc([O-])c1F)c1ccc2c(c1)SCC(=O)N2 ZINC000365971564 527364065 /nfs/dbraw/zinc/36/40/65/527364065.db2.gz VSTXDXWXQIYJEN-UHFFFAOYSA-N -1 3 318.329 2.828 20 0 DFADHM O=C(Nc1ccccc1[O-])[C@H]1CCCN1C(=O)C1CCCC1 ZINC000157514966 527428671 /nfs/dbraw/zinc/42/86/71/527428671.db2.gz JECVQYRHIHWAAM-CQSZACIVSA-N -1 3 302.374 2.512 20 0 DFADHM [O-]c1cc(F)cc(CN[C@@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365166005 527594302 /nfs/dbraw/zinc/59/43/02/527594302.db2.gz DKWYZFASYHHMEA-KSSFIOAISA-N -1 3 301.361 2.917 20 0 DFADHM C/C=C/C[C@@H](CO)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294941556 527627840 /nfs/dbraw/zinc/62/78/40/527627840.db2.gz IIDXWBGJWKVAIB-KZSQQDEKSA-N -1 3 313.397 2.921 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@@H]1c1nccs1 ZINC000364241315 527648026 /nfs/dbraw/zinc/64/80/26/527648026.db2.gz SONJWAFZTWRUEP-ITDFMYJTSA-N -1 3 301.371 2.621 20 0 DFADHM CC(C)CCCC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000294864191 527700460 /nfs/dbraw/zinc/70/04/60/527700460.db2.gz ONJNMVXSHKKGFJ-UHFFFAOYSA-N -1 3 318.417 2.503 20 0 DFADHM CC(C)O[N-]C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000295765531 528045402 /nfs/dbraw/zinc/04/54/02/528045402.db2.gz WIKNENLQBKCASS-UHFFFAOYSA-N -1 3 309.753 2.779 20 0 DFADHM CCOc1cc(C(=O)[N-]c2ccc3oc(COC)nc3c2)on1 ZINC000295038958 528237956 /nfs/dbraw/zinc/23/79/56/528237956.db2.gz FUMGULRYXQZIQN-UHFFFAOYSA-N -1 3 317.301 2.613 20 0 DFADHM CC(C)c1nc(C2CCN(C(=O)c3cccc([O-])c3)CC2)no1 ZINC000294703079 528269089 /nfs/dbraw/zinc/26/90/89/528269089.db2.gz NIVPRRYTEBHYSC-UHFFFAOYSA-N -1 3 315.373 2.918 20 0 DFADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnc(OC)n2)CC)n1 ZINC000295882921 528613897 /nfs/dbraw/zinc/61/38/97/528613897.db2.gz KKYZQYSXHRZEBV-PKNBQFBNSA-N -1 3 300.362 2.884 20 0 DFADHM CC/C(C)=C/C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000294533918 528754591 /nfs/dbraw/zinc/75/45/91/528754591.db2.gz UQCFQTFFVWCDEC-OUKQBFOZSA-N -1 3 316.401 2.926 20 0 DFADHM CCOCCOCc1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000292554692 528813171 /nfs/dbraw/zinc/81/31/71/528813171.db2.gz GDBJLPOERZINOS-UHFFFAOYSA-N -1 3 308.378 2.703 20 0 DFADHM CC(C)N(CC1CCC1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331389334 528873961 /nfs/dbraw/zinc/87/39/61/528873961.db2.gz PVCJSZQVAGJFCA-UHFFFAOYSA-N -1 3 319.331 2.544 20 0 DFADHM CC(C)N(CC1CCC1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331389334 528873965 /nfs/dbraw/zinc/87/39/65/528873965.db2.gz PVCJSZQVAGJFCA-UHFFFAOYSA-N -1 3 319.331 2.544 20 0 DFADHM CC(C)N(CC1CCC1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331389334 528873968 /nfs/dbraw/zinc/87/39/68/528873968.db2.gz PVCJSZQVAGJFCA-UHFFFAOYSA-N -1 3 319.331 2.544 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000296915143 529329280 /nfs/dbraw/zinc/32/92/80/529329280.db2.gz FIQVSLKMILYPIJ-LLVKDONJSA-N -1 3 303.362 2.638 20 0 DFADHM CC[C@]1(C)CCCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000361703505 535900467 /nfs/dbraw/zinc/90/04/67/535900467.db2.gz UAMYTTPCVJJELV-GFCCVEGCSA-N -1 3 319.331 2.545 20 0 DFADHM CC[C@]1(C)CCCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000361703505 535900472 /nfs/dbraw/zinc/90/04/72/535900472.db2.gz UAMYTTPCVJJELV-GFCCVEGCSA-N -1 3 319.331 2.545 20 0 DFADHM CC[C@]1(C)CCCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000361703505 535900477 /nfs/dbraw/zinc/90/04/77/535900477.db2.gz UAMYTTPCVJJELV-GFCCVEGCSA-N -1 3 319.331 2.545 20 0 DFADHM CCc1cc(C(=O)N[C@H](C)C(=O)Nc2ccccc2)ccc1[O-] ZINC000362795504 536128458 /nfs/dbraw/zinc/12/84/58/536128458.db2.gz JCBKCAFBGSAIHA-GFCCVEGCSA-N -1 3 312.369 2.712 20 0 DFADHM CCc1cc(C(=O)Nc2ccc([S@](C)=O)cc2)ccc1[O-] ZINC000362819616 536134918 /nfs/dbraw/zinc/13/49/18/536134918.db2.gz ZNXRPTCHQNLFIZ-NRFANRHFSA-N -1 3 303.383 2.944 20 0 DFADHM COc1cc(C(=O)Nc2ccc(C)c(O)c2)cc(OC)c1[O-] ZINC000357668970 536531168 /nfs/dbraw/zinc/53/11/68/536531168.db2.gz IVMUPNFENMSLNQ-UHFFFAOYSA-N -1 3 303.314 2.676 20 0 DFADHM COc1cc(C(=O)Nc2cc(O)c(C)cc2C)cc(OC)c1[O-] ZINC000680821143 545547232 /nfs/dbraw/zinc/54/72/32/545547232.db2.gz VPJJQDBFGZRRLG-UHFFFAOYSA-N -1 3 317.341 2.984 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@]2(C)c2ccccc2)s1 ZINC000680858653 545553160 /nfs/dbraw/zinc/55/31/60/545553160.db2.gz XNNCQLGJGLECLR-IUODEOHRSA-N -1 3 322.455 2.714 20 0 DFADHM CN(C)[C@H](CNC(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000681019880 545583694 /nfs/dbraw/zinc/58/36/94/545583694.db2.gz QYSCWBGUIFMPPD-OAHLLOKOSA-N -1 3 320.339 2.703 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](c3cnn(C)c3)C2)c1 ZINC000681380309 545634874 /nfs/dbraw/zinc/63/48/74/545634874.db2.gz WBYQVVNSHITHRH-AWEZNQCLSA-N -1 3 313.401 2.708 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)Nc3cnc(C4CC4)nc3)c[n-]c12 ZINC000681519875 545663033 /nfs/dbraw/zinc/66/30/33/545663033.db2.gz XADKTKKVJWDPQA-UHFFFAOYSA-N -1 3 320.352 2.756 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3CC(CC(F)(F)F)C3)c[n-]c12 ZINC000681527899 545664312 /nfs/dbraw/zinc/66/43/12/545664312.db2.gz AKJHLPPGRMBZCY-UHFFFAOYSA-N -1 3 324.302 2.861 20 0 DFADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC[C@H](C)[C@@H](F)C3)c(=O)c2c1 ZINC000681537975 545668338 /nfs/dbraw/zinc/66/83/38/545668338.db2.gz WXARYTFEYVMIRE-NHYWBVRUSA-N -1 3 316.376 2.965 20 0 DFADHM Cc1nc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)co1 ZINC000681551023 545670773 /nfs/dbraw/zinc/67/07/73/545670773.db2.gz PQYRWJSEFPJNRN-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000681662131 545694577 /nfs/dbraw/zinc/69/45/77/545694577.db2.gz YSNUSTYVKSMWES-UHFFFAOYSA-N -1 3 301.371 2.698 20 0 DFADHM CC[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)C1CCCCC1 ZINC000681724069 545708299 /nfs/dbraw/zinc/70/82/99/545708299.db2.gz USUWBGRTRARXTD-MRXNPFEDSA-N -1 3 318.417 2.597 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(-c2ccco2)s1 ZINC000681733311 545710217 /nfs/dbraw/zinc/71/02/17/545710217.db2.gz JPKJTJMWIJENHL-UHFFFAOYSA-N -1 3 317.326 2.770 20 0 DFADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)c1cccc2nn[n-]c21 ZINC000682163323 545810348 /nfs/dbraw/zinc/81/03/48/545810348.db2.gz JBNZAUXKOWPQFT-CQSZACIVSA-N -1 3 323.400 2.895 20 0 DFADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)c1cccc2[n-]nnc21 ZINC000682163323 545810349 /nfs/dbraw/zinc/81/03/49/545810349.db2.gz JBNZAUXKOWPQFT-CQSZACIVSA-N -1 3 323.400 2.895 20 0 DFADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)c1cccc2n[n-]nc21 ZINC000682163323 545810353 /nfs/dbraw/zinc/81/03/53/545810353.db2.gz JBNZAUXKOWPQFT-CQSZACIVSA-N -1 3 323.400 2.895 20 0 DFADHM COc1cc(C(=O)N[C@H]2COc3cc(F)cc(F)c32)ccc1[O-] ZINC000682363046 545829871 /nfs/dbraw/zinc/82/98/71/545829871.db2.gz 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UXKUQWSRCZYAIM-UHFFFAOYSA-N -1 3 313.401 2.954 20 0 DFADHM COc1cccc2c1n[n-]c2C(=O)Nc1cnccc1SC ZINC000685192886 546329092 /nfs/dbraw/zinc/32/90/92/546329092.db2.gz HWOYZZOCKRHKHO-UHFFFAOYSA-N -1 3 314.370 2.941 20 0 DFADHM CN1CC[C@H](NCc2ncccc2[O-])[C@H]1c1ccc(Cl)cc1 ZINC000685425696 546347353 /nfs/dbraw/zinc/34/73/53/546347353.db2.gz BOCJILSSYXNKRC-WMLDXEAASA-N -1 3 317.820 2.976 20 0 DFADHM Cc1nccn1[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000685432593 546348761 /nfs/dbraw/zinc/34/87/61/546348761.db2.gz FKCSTYHIMPLPBL-NSHDSACASA-N -1 3 321.327 2.653 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N(CCO)CCc1ccccc1 ZINC000685735581 546386493 /nfs/dbraw/zinc/38/64/93/546386493.db2.gz FLEXXOPOTVKCRG-UHFFFAOYSA-N -1 3 319.788 2.723 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(C)cc1 ZINC000737062202 598850608 /nfs/dbraw/zinc/85/06/08/598850608.db2.gz JGPFYIIACKPICQ-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(C)cc1 ZINC000737062202 598850610 /nfs/dbraw/zinc/85/06/10/598850610.db2.gz JGPFYIIACKPICQ-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM COc1cccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737141773 598851318 /nfs/dbraw/zinc/85/13/18/598851318.db2.gz YTZKLZBMRPSDPK-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM COc1cccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737141773 598851319 /nfs/dbraw/zinc/85/13/19/598851319.db2.gz YTZKLZBMRPSDPK-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM CCCCCC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736441803 598886054 /nfs/dbraw/zinc/88/60/54/598886054.db2.gz UYUYHFRPUXVCPS-GFCCVEGCSA-N -1 3 318.377 2.758 20 0 DFADHM CCCCCC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736441803 598886057 /nfs/dbraw/zinc/88/60/57/598886057.db2.gz UYUYHFRPUXVCPS-GFCCVEGCSA-N -1 3 318.377 2.758 20 0 DFADHM CSCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737182584 598902344 /nfs/dbraw/zinc/90/23/44/598902344.db2.gz PKXWDVPGYUILPW-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM CSCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737182584 598902346 /nfs/dbraw/zinc/90/23/46/598902346.db2.gz PKXWDVPGYUILPW-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(O)c1 ZINC000736135510 598939060 /nfs/dbraw/zinc/93/90/60/598939060.db2.gz ASHCXAYETHEQCQ-MRVPVSSYSA-N -1 3 316.752 2.794 20 0 DFADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(O)c1 ZINC000736135510 598939061 /nfs/dbraw/zinc/93/90/61/598939061.db2.gz ASHCXAYETHEQCQ-MRVPVSSYSA-N -1 3 316.752 2.794 20 0 DFADHM CCN(CCC(F)(F)F)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736538061 598939773 /nfs/dbraw/zinc/93/97/73/598939773.db2.gz RTJNESGJEBEDGG-UHFFFAOYSA-N -1 3 320.706 2.694 20 0 DFADHM CCN(CCC(F)(F)F)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736538061 598939775 /nfs/dbraw/zinc/93/97/75/598939775.db2.gz RTJNESGJEBEDGG-UHFFFAOYSA-N -1 3 320.706 2.694 20 0 DFADHM C[C@@H](c1cccnc1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736204957 598939827 /nfs/dbraw/zinc/93/98/27/598939827.db2.gz UTMSAQSAOGFJCH-VIFPVBQESA-N -1 3 315.768 2.508 20 0 DFADHM C[C@@H](c1cccnc1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736204957 598939829 /nfs/dbraw/zinc/93/98/29/598939829.db2.gz UTMSAQSAOGFJCH-VIFPVBQESA-N -1 3 315.768 2.508 20 0 DFADHM Cc1ccccc1C[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000737427009 598942740 /nfs/dbraw/zinc/94/27/40/598942740.db2.gz OZZXCSPEPDMDGC-MRXNPFEDSA-N -1 3 320.400 2.782 20 0 DFADHM Cc1ccccc1C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000737427009 598942742 /nfs/dbraw/zinc/94/27/42/598942742.db2.gz OZZXCSPEPDMDGC-MRXNPFEDSA-N -1 3 320.400 2.782 20 0 DFADHM Cc1ccc(Nc2ncccc2-c2nnn[n-]2)cc1OC(F)F ZINC000737362063 598943913 /nfs/dbraw/zinc/94/39/13/598943913.db2.gz MHOJMWYPHHEOCQ-UHFFFAOYSA-N -1 3 318.287 2.915 20 0 DFADHM Cc1ccc(Nc2ncccc2-c2nn[n-]n2)cc1OC(F)F ZINC000737362063 598943915 /nfs/dbraw/zinc/94/39/15/598943915.db2.gz MHOJMWYPHHEOCQ-UHFFFAOYSA-N -1 3 318.287 2.915 20 0 DFADHM C[C@H]1C[C@H](C)N(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736225767 598972410 /nfs/dbraw/zinc/97/24/10/598972410.db2.gz DEJVLPDYGUGIBM-YUMQZZPRSA-N -1 3 312.299 2.515 20 0 DFADHM C[C@H]1C[C@H](C)N(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736225767 598972411 /nfs/dbraw/zinc/97/24/11/598972411.db2.gz DEJVLPDYGUGIBM-YUMQZZPRSA-N -1 3 312.299 2.515 20 0 DFADHM C[C@@H]1CCC[C@@H](CCNC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736252122 599016952 /nfs/dbraw/zinc/01/69/52/599016952.db2.gz PKZFXODTADNBGB-MNOVXSKESA-N -1 3 319.434 2.874 20 0 DFADHM C[C@@H]1CCC[C@@H](CCNC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736252122 599016954 /nfs/dbraw/zinc/01/69/54/599016954.db2.gz PKZFXODTADNBGB-MNOVXSKESA-N -1 3 319.434 2.874 20 0 DFADHM CCc1noc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736712719 599326952 /nfs/dbraw/zinc/32/69/52/599326952.db2.gz JYXDBZNUDISPRR-VIFPVBQESA-N -1 3 316.390 2.807 20 0 DFADHM CCc1noc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736712719 599326955 /nfs/dbraw/zinc/32/69/55/599326955.db2.gz JYXDBZNUDISPRR-VIFPVBQESA-N -1 3 316.390 2.807 20 0 DFADHM Cc1ccccc1[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000822350136 599036352 /nfs/dbraw/zinc/03/63/52/599036352.db2.gz AVRFDKCCHGLYDT-QGZVFWFLSA-N -1 3 321.384 2.753 20 0 DFADHM CCCCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736451869 599036655 /nfs/dbraw/zinc/03/66/55/599036655.db2.gz QIWRMOAJPFVRLE-UHFFFAOYSA-N -1 3 300.288 2.883 20 0 DFADHM CCCCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736451869 599036658 /nfs/dbraw/zinc/03/66/58/599036658.db2.gz QIWRMOAJPFVRLE-UHFFFAOYSA-N -1 3 300.288 2.883 20 0 DFADHM CC(C)[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735708211 599038414 /nfs/dbraw/zinc/03/84/14/599038414.db2.gz LNWSCXZZTIIGRJ-SSDOTTSWSA-N -1 3 300.288 2.737 20 0 DFADHM CC(C)[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735708211 599038415 /nfs/dbraw/zinc/03/84/15/599038415.db2.gz LNWSCXZZTIIGRJ-SSDOTTSWSA-N -1 3 300.288 2.737 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC(C2CC2)C2CC2)n1 ZINC000737634200 599041557 /nfs/dbraw/zinc/04/15/57/599041557.db2.gz ZANROCBUTYWTCM-UHFFFAOYSA-N -1 3 324.310 2.881 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC(C2CC2)C2CC2)n1 ZINC000737634200 599041559 /nfs/dbraw/zinc/04/15/59/599041559.db2.gz ZANROCBUTYWTCM-UHFFFAOYSA-N -1 3 324.310 2.881 20 0 DFADHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)[C@H]2CCCO[C@@H]21 ZINC000820585778 599042880 /nfs/dbraw/zinc/04/28/80/599042880.db2.gz PSXIYIBDZJOFPK-HONMWMINSA-N -1 3 317.368 2.621 20 0 DFADHM CCC[C@@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736422506 599043683 /nfs/dbraw/zinc/04/36/83/599043683.db2.gz IOKJDOAOZKZELW-MRVPVSSYSA-N -1 3 314.315 2.905 20 0 DFADHM CCC[C@@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736422506 599043685 /nfs/dbraw/zinc/04/36/85/599043685.db2.gz IOKJDOAOZKZELW-MRVPVSSYSA-N -1 3 314.315 2.905 20 0 DFADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820668973 599059736 /nfs/dbraw/zinc/05/97/36/599059736.db2.gz XVLDQIYVAAPOOH-IAQYHMDHSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820668973 599059737 /nfs/dbraw/zinc/05/97/37/599059737.db2.gz XVLDQIYVAAPOOH-IAQYHMDHSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736246061 599072829 /nfs/dbraw/zinc/07/28/29/599072829.db2.gz YJXQKDBURIJCNP-PWSUYJOCSA-N -1 3 317.368 2.795 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736246061 599072834 /nfs/dbraw/zinc/07/28/34/599072834.db2.gz YJXQKDBURIJCNP-PWSUYJOCSA-N -1 3 317.368 2.795 20 0 DFADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736244955 599086653 /nfs/dbraw/zinc/08/66/53/599086653.db2.gz QFVWXEWZTYSUBT-VHSXEESVSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736244955 599086656 /nfs/dbraw/zinc/08/66/56/599086656.db2.gz QFVWXEWZTYSUBT-VHSXEESVSA-N -1 3 305.407 2.579 20 0 DFADHM CC[C@@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)CCS1 ZINC000820995280 599102136 /nfs/dbraw/zinc/10/21/36/599102136.db2.gz PAAOYJHAHMWPKU-SNVBAGLBSA-N -1 3 309.826 2.852 20 0 DFADHM CC[C@@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)CCS1 ZINC000820995280 599102137 /nfs/dbraw/zinc/10/21/37/599102137.db2.gz PAAOYJHAHMWPKU-SNVBAGLBSA-N -1 3 309.826 2.852 20 0 DFADHM CC(C)[C@H](C)SCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820020987 599130290 /nfs/dbraw/zinc/13/02/90/599130290.db2.gz NSYUVJHCBINEAW-NSHDSACASA-N -1 3 319.434 2.973 20 0 DFADHM CC(C)[C@H](C)SCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820020987 599130291 /nfs/dbraw/zinc/13/02/91/599130291.db2.gz NSYUVJHCBINEAW-NSHDSACASA-N -1 3 319.434 2.973 20 0 DFADHM CCCCCNC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000821056599 599344679 /nfs/dbraw/zinc/34/46/79/599344679.db2.gz UABHBNUFHFTFAL-LLVKDONJSA-N -1 3 319.434 2.654 20 0 DFADHM CCCCCNC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000821056599 599344681 /nfs/dbraw/zinc/34/46/81/599344681.db2.gz UABHBNUFHFTFAL-LLVKDONJSA-N -1 3 319.434 2.654 20 0 DFADHM CC[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736401890 599156021 /nfs/dbraw/zinc/15/60/21/599156021.db2.gz ZROZPCJZWMABHI-BXUZGUMPSA-N -1 3 300.362 2.992 20 0 DFADHM CC[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736401890 599156024 /nfs/dbraw/zinc/15/60/24/599156024.db2.gz ZROZPCJZWMABHI-BXUZGUMPSA-N -1 3 300.362 2.992 20 0 DFADHM CCC(CC)NC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000820898025 599349963 /nfs/dbraw/zinc/34/99/63/599349963.db2.gz SKHTZAQZKDRREI-JTQLQIEISA-N -1 3 319.434 2.652 20 0 DFADHM CC(C)(C)[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000735594773 599170035 /nfs/dbraw/zinc/17/00/35/599170035.db2.gz BOWMXFXXHFTDHL-LBPRGKRZSA-N -1 3 300.410 2.914 20 0 DFADHM CC(C)(C)[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000735594773 599170038 /nfs/dbraw/zinc/17/00/38/599170038.db2.gz BOWMXFXXHFTDHL-LBPRGKRZSA-N -1 3 300.410 2.914 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cc2cccc(F)c2o1 ZINC000738250983 599176122 /nfs/dbraw/zinc/17/61/22/599176122.db2.gz JUTRQXNYDZUXFT-UHFFFAOYSA-N -1 3 324.271 2.971 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc2cccc(F)c2o1 ZINC000738250983 599176123 /nfs/dbraw/zinc/17/61/23/599176123.db2.gz JUTRQXNYDZUXFT-UHFFFAOYSA-N -1 3 324.271 2.971 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000820741367 599206022 /nfs/dbraw/zinc/20/60/22/599206022.db2.gz CGUVKVHSPSRXSI-WBMJQRKESA-N -1 3 319.368 2.700 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000820741367 599206024 /nfs/dbraw/zinc/20/60/24/599206024.db2.gz CGUVKVHSPSRXSI-WBMJQRKESA-N -1 3 319.368 2.700 20 0 DFADHM C[C@H](COC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736036414 599214541 /nfs/dbraw/zinc/21/45/41/599214541.db2.gz AEBJSUZXELVYFY-GFCCVEGCSA-N -1 3 308.341 2.827 20 0 DFADHM C[C@H](COC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736036414 599214542 /nfs/dbraw/zinc/21/45/42/599214542.db2.gz AEBJSUZXELVYFY-GFCCVEGCSA-N -1 3 308.341 2.827 20 0 DFADHM CC[C@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000736400849 599230810 /nfs/dbraw/zinc/23/08/10/599230810.db2.gz CVMXUXBMIUHTIH-LBPRGKRZSA-N -1 3 312.421 2.767 20 0 DFADHM CC[C@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000736400849 599230811 /nfs/dbraw/zinc/23/08/11/599230811.db2.gz CVMXUXBMIUHTIH-LBPRGKRZSA-N -1 3 312.421 2.767 20 0 DFADHM CC[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736402599 599240260 /nfs/dbraw/zinc/24/02/60/599240260.db2.gz OPTNJQZRGMHPAJ-LBPRGKRZSA-N -1 3 314.393 2.911 20 0 DFADHM CC[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736402599 599240262 /nfs/dbraw/zinc/24/02/62/599240262.db2.gz OPTNJQZRGMHPAJ-LBPRGKRZSA-N -1 3 314.393 2.911 20 0 DFADHM CCc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736688859 599241700 /nfs/dbraw/zinc/24/17/00/599241700.db2.gz HEMLDJAYSGQYPY-UHFFFAOYSA-N -1 3 308.341 2.786 20 0 DFADHM CCc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736688859 599241701 /nfs/dbraw/zinc/24/17/01/599241701.db2.gz HEMLDJAYSGQYPY-UHFFFAOYSA-N -1 3 308.341 2.786 20 0 DFADHM Cc1c(NC(=O)C[C@@H](C)c2cccnc2)cccc1-c1nnn[n-]1 ZINC000822068005 607270629 /nfs/dbraw/zinc/27/06/29/607270629.db2.gz NBHYYJKPVIKOSN-LLVKDONJSA-N -1 3 322.372 2.702 20 0 DFADHM Cc1c(NC(=O)C[C@@H](C)c2cccnc2)cccc1-c1nn[n-]n1 ZINC000822068005 607270630 /nfs/dbraw/zinc/27/06/30/607270630.db2.gz NBHYYJKPVIKOSN-LLVKDONJSA-N -1 3 322.372 2.702 20 0 DFADHM CCSCC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821460961 599243117 /nfs/dbraw/zinc/24/31/17/599243117.db2.gz HKZABSKXGZOBPD-JTQLQIEISA-N -1 3 320.422 2.520 20 0 DFADHM CCSCC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821460961 599243118 /nfs/dbraw/zinc/24/31/18/599243118.db2.gz HKZABSKXGZOBPD-JTQLQIEISA-N -1 3 320.422 2.520 20 0 DFADHM Cc1c(NC(=O)c2cc(F)cc(F)c2)cccc1-c1nnn[n-]1 ZINC000822110190 607271758 /nfs/dbraw/zinc/27/17/58/607271758.db2.gz ZNZAWPJQZNJAOH-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1c(NC(=O)c2cc(F)cc(F)c2)cccc1-c1nn[n-]n1 ZINC000822110190 607271759 /nfs/dbraw/zinc/27/17/59/607271759.db2.gz ZNZAWPJQZNJAOH-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM O=C([O-])c1ccc(CNCc2cnc3ccc(Cl)cn23)cc1 ZINC000819683846 597135971 /nfs/dbraw/zinc/13/59/71/597135971.db2.gz XAWGAPQRJQJPLH-UHFFFAOYSA-N -1 3 315.760 2.976 20 0 DFADHM Cc1c(NC(=O)C=Cc2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822068046 607269563 /nfs/dbraw/zinc/26/95/63/607269563.db2.gz OSWGSJFJMHNQCY-HJWRWDBZSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1c(NC(=O)C=Cc2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822068046 607269564 /nfs/dbraw/zinc/26/95/64/607269564.db2.gz OSWGSJFJMHNQCY-HJWRWDBZSA-N -1 3 323.331 2.966 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820697444 599245704 /nfs/dbraw/zinc/24/57/04/599245704.db2.gz HIUMXIAJUPARCS-NEPJUHHUSA-N -1 3 314.393 2.909 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820697444 599245705 /nfs/dbraw/zinc/24/57/05/599245705.db2.gz HIUMXIAJUPARCS-NEPJUHHUSA-N -1 3 314.393 2.909 20 0 DFADHM Cc1c([C@H](C)NCCCC(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000818772764 597247894 /nfs/dbraw/zinc/24/78/94/597247894.db2.gz RPCZFEGSNMFZPN-JTQLQIEISA-N -1 3 322.796 2.745 20 0 DFADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820967667 607280383 /nfs/dbraw/zinc/28/03/83/607280383.db2.gz SLUHIUFZZNGKBC-PWSUYJOCSA-N -1 3 314.393 2.827 20 0 DFADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820967667 607280384 /nfs/dbraw/zinc/28/03/84/607280384.db2.gz SLUHIUFZZNGKBC-PWSUYJOCSA-N -1 3 314.393 2.827 20 0 DFADHM O=C([O-])CCCCCNCc1cc(O)ccc1Br ZINC000819406534 597275484 /nfs/dbraw/zinc/27/54/84/597275484.db2.gz VXGKGCMIFGOZFX-UHFFFAOYSA-N -1 3 316.195 2.889 20 0 DFADHM CCCC(C)(C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821007603 607284457 /nfs/dbraw/zinc/28/44/57/607284457.db2.gz BKORVTAOQVGKFC-UHFFFAOYSA-N -1 3 302.382 2.875 20 0 DFADHM CCCC(C)(C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821007603 607284458 /nfs/dbraw/zinc/28/44/58/607284458.db2.gz BKORVTAOQVGKFC-UHFFFAOYSA-N -1 3 302.382 2.875 20 0 DFADHM O=C([O-])Cc1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000821537560 597363009 /nfs/dbraw/zinc/36/30/09/597363009.db2.gz JGBDOODWXMSKJR-MRXNPFEDSA-N -1 3 316.401 2.659 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CCCC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822092316 607289447 /nfs/dbraw/zinc/28/94/47/607289447.db2.gz WADGFWJGHPFQMB-GWCFXTLKSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CCCC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822092316 607289448 /nfs/dbraw/zinc/28/94/48/607289448.db2.gz WADGFWJGHPFQMB-GWCFXTLKSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N2CC[C@@H](C(C)C)C2)cccc1-c1nnn[n-]1 ZINC000822084896 607290031 /nfs/dbraw/zinc/29/00/31/607290031.db2.gz RSOOJQHXLIHSAM-GFCCVEGCSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1c(NC(=O)N2CC[C@@H](C(C)C)C2)cccc1-c1nn[n-]n1 ZINC000822084896 607290032 /nfs/dbraw/zinc/29/00/32/607290032.db2.gz RSOOJQHXLIHSAM-GFCCVEGCSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)OCCC(C)C)cccc1-c1nnn[n-]1 ZINC000822060453 607295719 /nfs/dbraw/zinc/29/57/19/607295719.db2.gz HSFOAUPIPSTLLZ-GFCCVEGCSA-N -1 3 317.393 2.565 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)OCCC(C)C)cccc1-c1nn[n-]n1 ZINC000822060453 607295720 /nfs/dbraw/zinc/29/57/20/607295720.db2.gz HSFOAUPIPSTLLZ-GFCCVEGCSA-N -1 3 317.393 2.565 20 0 DFADHM Cc1c(NC(=O)C[C@@H](C)n2cccc2)cccc1-c1nnn[n-]1 ZINC000822068795 607296635 /nfs/dbraw/zinc/29/66/35/607296635.db2.gz UVGZLPVUCIVTMN-LLVKDONJSA-N -1 3 310.361 2.566 20 0 DFADHM Cc1c(NC(=O)C[C@@H](C)n2cccc2)cccc1-c1nn[n-]n1 ZINC000822068795 607296636 /nfs/dbraw/zinc/29/66/36/607296636.db2.gz UVGZLPVUCIVTMN-LLVKDONJSA-N -1 3 310.361 2.566 20 0 DFADHM CCC(CC)(CC)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820887611 607301326 /nfs/dbraw/zinc/30/13/26/607301326.db2.gz IXRNIKLVDFBLET-UHFFFAOYSA-N -1 3 322.800 2.614 20 0 DFADHM CCC(CC)(CC)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820887611 607301327 /nfs/dbraw/zinc/30/13/27/607301327.db2.gz IXRNIKLVDFBLET-UHFFFAOYSA-N -1 3 322.800 2.614 20 0 DFADHM CC1(C)Oc2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2O1 ZINC000820606739 607312034 /nfs/dbraw/zinc/31/20/34/607312034.db2.gz BJDOCFHEPZQUBJ-UHFFFAOYSA-N -1 3 323.356 2.986 20 0 DFADHM CC1(C)Oc2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2O1 ZINC000820606739 607312035 /nfs/dbraw/zinc/31/20/35/607312035.db2.gz BJDOCFHEPZQUBJ-UHFFFAOYSA-N -1 3 323.356 2.986 20 0 DFADHM c1cn(-c2cccc(NCc3cc(-c4nnn[n-]4)cs3)c2)cn1 ZINC000823756961 607313549 /nfs/dbraw/zinc/31/35/49/607313549.db2.gz HYQFCYMHXDACRO-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM c1cn(-c2cccc(NCc3cc(-c4nn[n-]n4)cs3)c2)cn1 ZINC000823756961 607313550 /nfs/dbraw/zinc/31/35/50/607313550.db2.gz HYQFCYMHXDACRO-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM c1sc(CNc2ccc3c(c2)CCCO3)cc1-c1nnn[n-]1 ZINC000823767432 607316442 /nfs/dbraw/zinc/31/64/42/607316442.db2.gz RDXNYFCGOGFBAI-UHFFFAOYSA-N -1 3 313.386 2.865 20 0 DFADHM c1sc(CNc2ccc3c(c2)CCCO3)cc1-c1nn[n-]n1 ZINC000823767432 607316443 /nfs/dbraw/zinc/31/64/43/607316443.db2.gz RDXNYFCGOGFBAI-UHFFFAOYSA-N -1 3 313.386 2.865 20 0 DFADHM CCn1ncc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000821568192 607313993 /nfs/dbraw/zinc/31/39/93/607313993.db2.gz LDOVVNKEZSABSM-UHFFFAOYSA-N -1 3 319.372 2.848 20 0 DFADHM CCn1ncc2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000821568192 607313994 /nfs/dbraw/zinc/31/39/94/607313994.db2.gz LDOVVNKEZSABSM-UHFFFAOYSA-N -1 3 319.372 2.848 20 0 DFADHM FCCOc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822736567 607319033 /nfs/dbraw/zinc/31/90/33/607319033.db2.gz GZJYAVVVTRDSIC-UHFFFAOYSA-N -1 3 313.336 2.827 20 0 DFADHM FCCOc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822736567 607319034 /nfs/dbraw/zinc/31/90/34/607319034.db2.gz GZJYAVVVTRDSIC-UHFFFAOYSA-N -1 3 313.336 2.827 20 0 DFADHM Cc1csc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)n1 ZINC000737451892 599284922 /nfs/dbraw/zinc/28/49/22/599284922.db2.gz FIOGFQLVOPTUMQ-UHFFFAOYSA-N -1 3 318.431 2.936 20 0 DFADHM Cc1csc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)n1 ZINC000737451892 599284924 /nfs/dbraw/zinc/28/49/24/599284924.db2.gz FIOGFQLVOPTUMQ-UHFFFAOYSA-N -1 3 318.431 2.936 20 0 DFADHM Cc1nnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737534726 599288348 /nfs/dbraw/zinc/28/83/48/599288348.db2.gz VUODCVCYOOZZLC-SSDOTTSWSA-N -1 3 304.404 2.880 20 0 DFADHM Cc1nnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737534726 599288349 /nfs/dbraw/zinc/28/83/49/599288349.db2.gz VUODCVCYOOZZLC-SSDOTTSWSA-N -1 3 304.404 2.880 20 0 DFADHM CCCCOCC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736459598 599291475 /nfs/dbraw/zinc/29/14/75/599291475.db2.gz FRLDMVVZUBKREQ-UHFFFAOYSA-N -1 3 323.422 2.554 20 0 DFADHM CCCCOCC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736459598 599291476 /nfs/dbraw/zinc/29/14/76/599291476.db2.gz FRLDMVVZUBKREQ-UHFFFAOYSA-N -1 3 323.422 2.554 20 0 DFADHM CSCC[C@@H](C)N(C)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821962634 607327595 /nfs/dbraw/zinc/32/75/95/607327595.db2.gz UHUBMYOAHOMOHU-MRVPVSSYSA-N -1 3 313.377 2.723 20 0 DFADHM CSCC[C@@H](C)N(C)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821962634 607327596 /nfs/dbraw/zinc/32/75/96/607327596.db2.gz UHUBMYOAHOMOHU-MRVPVSSYSA-N -1 3 313.377 2.723 20 0 DFADHM CCCCc1nc(Cn2cc(C)c(-c3nnn[n-]3)c2)cs1 ZINC000821077803 607329996 /nfs/dbraw/zinc/32/99/96/607329996.db2.gz UMQAYYPLSLTBHU-UHFFFAOYSA-N -1 3 302.407 2.824 20 0 DFADHM CCCCc1nc(Cn2cc(C)c(-c3nn[n-]n3)c2)cs1 ZINC000821077803 607329997 /nfs/dbraw/zinc/32/99/97/607329997.db2.gz UMQAYYPLSLTBHU-UHFFFAOYSA-N -1 3 302.407 2.824 20 0 DFADHM Cc1cn(Cc2coc(-c3ccc(C)cc3)n2)cc1-c1nnn[n-]1 ZINC000822213821 607330882 /nfs/dbraw/zinc/33/08/82/607330882.db2.gz BYOLMVNIJGVAKN-UHFFFAOYSA-N -1 3 320.356 2.988 20 0 DFADHM Cc1cn(Cc2coc(-c3ccc(C)cc3)n2)cc1-c1nn[n-]n1 ZINC000822213821 607330883 /nfs/dbraw/zinc/33/08/83/607330883.db2.gz BYOLMVNIJGVAKN-UHFFFAOYSA-N -1 3 320.356 2.988 20 0 DFADHM CCN(CC)c1ccc(CNCc2cccc(C(=O)[O-])c2)cn1 ZINC000263460030 598202721 /nfs/dbraw/zinc/20/27/21/598202721.db2.gz INAOPICODQAONQ-UHFFFAOYSA-N -1 3 313.401 2.916 20 0 DFADHM CCN(CCC(F)(F)F)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825419150 608390651 /nfs/dbraw/zinc/39/06/51/608390651.db2.gz IVKSPSPLCVHSRL-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM CCN(CCC(F)(F)F)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825419150 608390653 /nfs/dbraw/zinc/39/06/53/608390653.db2.gz IVKSPSPLCVHSRL-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000736431315 598233907 /nfs/dbraw/zinc/23/39/07/598233907.db2.gz MWVRICWWZQXDEF-HNNXBMFYSA-N -1 3 322.372 2.533 20 0 DFADHM CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000736431315 598233908 /nfs/dbraw/zinc/23/39/08/598233908.db2.gz MWVRICWWZQXDEF-HNNXBMFYSA-N -1 3 322.372 2.533 20 0 DFADHM C[C@H](O)c1ccc(CNc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736148802 598240304 /nfs/dbraw/zinc/24/03/04/598240304.db2.gz DLKPHSMNCOBKRS-JTQLQIEISA-N -1 3 313.336 2.671 20 0 DFADHM C[C@H](O)c1ccc(CNc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736148802 598240305 /nfs/dbraw/zinc/24/03/05/598240305.db2.gz DLKPHSMNCOBKRS-JTQLQIEISA-N -1 3 313.336 2.671 20 0 DFADHM CN(CCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736804569 598240607 /nfs/dbraw/zinc/24/06/07/598240607.db2.gz QIJISDDHNNQDFZ-UHFFFAOYSA-N -1 3 315.327 2.824 20 0 DFADHM Fc1cccc(Nc2cnn(-c3ccccc3)c2)c1-c1nnn[n-]1 ZINC000737665663 598242593 /nfs/dbraw/zinc/24/25/93/598242593.db2.gz TZJWAYKAQRZWMX-UHFFFAOYSA-N -1 3 321.319 2.935 20 0 DFADHM Fc1cccc(Nc2cnn(-c3ccccc3)c2)c1-c1nn[n-]n1 ZINC000737665663 598242595 /nfs/dbraw/zinc/24/25/95/598242595.db2.gz TZJWAYKAQRZWMX-UHFFFAOYSA-N -1 3 321.319 2.935 20 0 DFADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736264046 598263787 /nfs/dbraw/zinc/26/37/87/598263787.db2.gz SZIWDNBQEDOVIT-UFBFGSQYSA-N -1 3 320.784 2.830 20 0 DFADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736264046 598263789 /nfs/dbraw/zinc/26/37/89/598263789.db2.gz SZIWDNBQEDOVIT-UFBFGSQYSA-N -1 3 320.784 2.830 20 0 DFADHM CCO[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736608504 598276700 /nfs/dbraw/zinc/27/67/00/598276700.db2.gz LVFZGNGRINCKFH-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CCO[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736608504 598276701 /nfs/dbraw/zinc/27/67/01/598276701.db2.gz LVFZGNGRINCKFH-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CC[C@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736336065 598289222 /nfs/dbraw/zinc/28/92/22/598289222.db2.gz YYSREKSBNIBXEJ-CYBMUJFWSA-N -1 3 302.378 2.982 20 0 DFADHM CC[C@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736336065 598289224 /nfs/dbraw/zinc/28/92/24/598289224.db2.gz YYSREKSBNIBXEJ-CYBMUJFWSA-N -1 3 302.378 2.982 20 0 DFADHM CC(C)(C)c1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000819958407 607351818 /nfs/dbraw/zinc/35/18/18/607351818.db2.gz JYPPYZOYAUBYQW-UHFFFAOYSA-N -1 3 322.372 2.812 20 0 DFADHM CC(C)(C)c1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000819958407 607351820 /nfs/dbraw/zinc/35/18/20/607351820.db2.gz JYPPYZOYAUBYQW-UHFFFAOYSA-N -1 3 322.372 2.812 20 0 DFADHM Cc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737428746 598387073 /nfs/dbraw/zinc/38/70/73/598387073.db2.gz VKQKUIVKBSECHV-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737428746 598387075 /nfs/dbraw/zinc/38/70/75/598387075.db2.gz VKQKUIVKBSECHV-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM C[C@@H]1CCC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000736249900 598389099 /nfs/dbraw/zinc/38/90/99/598389099.db2.gz LOHFERFPIZJSDA-MWLCHTKSSA-N -1 3 306.801 2.930 20 0 DFADHM C[C@@H]1CCC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000736249900 598389101 /nfs/dbraw/zinc/38/91/01/598389101.db2.gz LOHFERFPIZJSDA-MWLCHTKSSA-N -1 3 306.801 2.930 20 0 DFADHM Cc1ccsc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737443405 598389342 /nfs/dbraw/zinc/38/93/42/598389342.db2.gz VFYJPOHMKPVCKU-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ccsc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737443405 598389344 /nfs/dbraw/zinc/38/93/44/598389344.db2.gz VFYJPOHMKPVCKU-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@@H]1c1ccccc1 ZINC000737558900 598392632 /nfs/dbraw/zinc/39/26/32/598392632.db2.gz RDYKCEBPKIKITC-DGCLKSJQSA-N -1 3 312.764 2.883 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@@H]1c1ccccc1 ZINC000737558900 598392633 /nfs/dbraw/zinc/39/26/33/598392633.db2.gz RDYKCEBPKIKITC-DGCLKSJQSA-N -1 3 312.764 2.883 20 0 DFADHM CCC1(C)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000736398157 598393412 /nfs/dbraw/zinc/39/34/12/598393412.db2.gz YNHGPNATJSQSQU-UHFFFAOYSA-N -1 3 306.801 2.932 20 0 DFADHM CCC1(C)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000736398157 598393414 /nfs/dbraw/zinc/39/34/14/598393414.db2.gz YNHGPNATJSQSQU-UHFFFAOYSA-N -1 3 306.801 2.932 20 0 DFADHM COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000736947247 598394976 /nfs/dbraw/zinc/39/49/76/598394976.db2.gz HKZSZLAPTDKXNY-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM CC1(C)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736211691 598397090 /nfs/dbraw/zinc/39/70/90/598397090.db2.gz SFKQUGFINWASRL-UHFFFAOYSA-N -1 3 300.366 2.521 20 0 DFADHM CC1(C)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736211691 598397093 /nfs/dbraw/zinc/39/70/93/598397093.db2.gz SFKQUGFINWASRL-UHFFFAOYSA-N -1 3 300.366 2.521 20 0 DFADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737253082 598422964 /nfs/dbraw/zinc/42/29/64/598422964.db2.gz PURHSHIDMQSDGY-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737253082 598422966 /nfs/dbraw/zinc/42/29/66/598422966.db2.gz PURHSHIDMQSDGY-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Fc1c(CSC[C@H]2CCCCO2)cccc1-c1nnn[n-]1 ZINC000826370661 608404616 /nfs/dbraw/zinc/40/46/16/608404616.db2.gz CSEWZROGCFPKBJ-LLVKDONJSA-N -1 3 308.382 2.808 20 0 DFADHM Fc1c(CSC[C@H]2CCCCO2)cccc1-c1nn[n-]n1 ZINC000826370661 608404619 /nfs/dbraw/zinc/40/46/19/608404619.db2.gz CSEWZROGCFPKBJ-LLVKDONJSA-N -1 3 308.382 2.808 20 0 DFADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCC[C@H]1C ZINC000736506419 598445644 /nfs/dbraw/zinc/44/56/44/598445644.db2.gz XZGXBRJBUWSFNM-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCC[C@H]1C ZINC000736506419 598445645 /nfs/dbraw/zinc/44/56/45/598445645.db2.gz XZGXBRJBUWSFNM-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CN(C(=O)c1ccc2[nH]ccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736741624 598462161 /nfs/dbraw/zinc/46/21/61/598462161.db2.gz GYOHMEPNTWMFHN-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CN(C(=O)c1ccc2[nH]ccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736741624 598462164 /nfs/dbraw/zinc/46/21/64/598462164.db2.gz GYOHMEPNTWMFHN-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM O=C(OC[C@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000738219799 598486117 /nfs/dbraw/zinc/48/61/17/598486117.db2.gz BZSNSNCMVIWOLD-OAHLLOKOSA-N -1 3 320.352 2.754 20 0 DFADHM O=C(OC[C@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000738219799 598486119 /nfs/dbraw/zinc/48/61/19/598486119.db2.gz BZSNSNCMVIWOLD-OAHLLOKOSA-N -1 3 320.352 2.754 20 0 DFADHM C[C@H](OC(=O)c1cc(Cl)c[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158605 598486143 /nfs/dbraw/zinc/48/61/43/598486143.db2.gz HXVHQPVUWKFVTD-QMMMGPOBSA-N -1 3 317.736 2.766 20 0 DFADHM C[C@H](OC(=O)c1cc(Cl)c[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158605 598486145 /nfs/dbraw/zinc/48/61/45/598486145.db2.gz HXVHQPVUWKFVTD-QMMMGPOBSA-N -1 3 317.736 2.766 20 0 DFADHM Cc1sc(NC(=O)c2cccnc2C)c(-c2nnn[n-]2)c1C ZINC000737503672 598493694 /nfs/dbraw/zinc/49/36/94/598493694.db2.gz XFYOMSNOBWQVJN-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM Cc1sc(NC(=O)c2cccnc2C)c(-c2nn[n-]n2)c1C ZINC000737503672 598493695 /nfs/dbraw/zinc/49/36/95/598493695.db2.gz XFYOMSNOBWQVJN-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM CCO[C@H](CC)C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736613154 598514190 /nfs/dbraw/zinc/51/41/90/598514190.db2.gz DVOSRENZVYXCNS-SNVBAGLBSA-N -1 3 323.422 2.553 20 0 DFADHM CCO[C@H](CC)C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736613154 598514191 /nfs/dbraw/zinc/51/41/91/598514191.db2.gz DVOSRENZVYXCNS-SNVBAGLBSA-N -1 3 323.422 2.553 20 0 DFADHM CCc1c(C)sc(NC(=O)c2ccc(C)o2)c1-c1nnn[n-]1 ZINC000736676378 598519227 /nfs/dbraw/zinc/51/92/27/598519227.db2.gz SUWJFQOORJFOOD-UHFFFAOYSA-N -1 3 317.374 2.953 20 0 DFADHM CCc1c(C)sc(NC(=O)c2ccc(C)o2)c1-c1nn[n-]n1 ZINC000736676378 598519228 /nfs/dbraw/zinc/51/92/28/598519228.db2.gz SUWJFQOORJFOOD-UHFFFAOYSA-N -1 3 317.374 2.953 20 0 DFADHM Cc1csc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000737454963 598521326 /nfs/dbraw/zinc/52/13/26/598521326.db2.gz KMYDPUHEUFCJRN-MRVPVSSYSA-N -1 3 304.354 2.944 20 0 DFADHM COc1ccccc1[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC000737145598 598522848 /nfs/dbraw/zinc/52/28/48/598522848.db2.gz DAXKGKGKXRLKMK-AWEZNQCLSA-N -1 3 322.372 2.612 20 0 DFADHM COc1ccccc1[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC000737145598 598522849 /nfs/dbraw/zinc/52/28/49/598522849.db2.gz DAXKGKGKXRLKMK-AWEZNQCLSA-N -1 3 322.372 2.612 20 0 DFADHM CC1(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC000736217151 598534171 /nfs/dbraw/zinc/53/41/71/598534171.db2.gz SCYWNGHALXEDQO-CMDGGOBGSA-N -1 3 311.389 2.576 20 0 DFADHM CC1(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC000736217151 598534173 /nfs/dbraw/zinc/53/41/73/598534173.db2.gz SCYWNGHALXEDQO-CMDGGOBGSA-N -1 3 311.389 2.576 20 0 DFADHM Cc1ccc(CN(C)c2ncc(-c3nnn[n-]3)cc2Cl)s1 ZINC000737339756 598551438 /nfs/dbraw/zinc/55/14/38/598551438.db2.gz ATEVVDCWZZBQME-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ccc(CN(C)c2ncc(-c3nn[n-]n3)cc2Cl)s1 ZINC000737339756 598551440 /nfs/dbraw/zinc/55/14/40/598551440.db2.gz ATEVVDCWZZBQME-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1cccn2cc(COc3ccc(-c4nnn[n-]4)c(F)c3)nc12 ZINC000737432663 598558257 /nfs/dbraw/zinc/55/82/57/598558257.db2.gz BRGONPNGHMOKOV-UHFFFAOYSA-N -1 3 324.319 2.541 20 0 DFADHM Cc1cccn2cc(COc3ccc(-c4nn[n-]n4)c(F)c3)nc12 ZINC000737432663 598558259 /nfs/dbraw/zinc/55/82/59/598558259.db2.gz BRGONPNGHMOKOV-UHFFFAOYSA-N -1 3 324.319 2.541 20 0 DFADHM FC(F)(F)c1cc(NCc2ccccn2)ccc1-c1nnn[n-]1 ZINC000737632082 598570012 /nfs/dbraw/zinc/57/00/12/598570012.db2.gz JRSGDRSAWJXHKW-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM FC(F)(F)c1cc(NCc2ccccn2)ccc1-c1nn[n-]n1 ZINC000737632082 598570014 /nfs/dbraw/zinc/57/00/14/598570014.db2.gz JRSGDRSAWJXHKW-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM O=C(CCc1ccsc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737862025 598589805 /nfs/dbraw/zinc/58/98/05/598589805.db2.gz XAIRAIRSYKIMRJ-UHFFFAOYSA-N -1 3 317.349 2.639 20 0 DFADHM O=C(CCc1ccsc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737862025 598589806 /nfs/dbraw/zinc/58/98/06/598589806.db2.gz XAIRAIRSYKIMRJ-UHFFFAOYSA-N -1 3 317.349 2.639 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1C1CCC1 ZINC000737797451 598598003 /nfs/dbraw/zinc/59/80/03/598598003.db2.gz IRLYEGGUFIICRA-BLIJAFNYSA-N -1 3 323.400 2.671 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1C1CCC1 ZINC000737797451 598598005 /nfs/dbraw/zinc/59/80/05/598598005.db2.gz IRLYEGGUFIICRA-BLIJAFNYSA-N -1 3 323.400 2.671 20 0 DFADHM Fc1ccc(NC[C@@H]2CC2(Cl)Cl)cc1-c1nnn[n-]1 ZINC000737660822 598603738 /nfs/dbraw/zinc/60/37/38/598603738.db2.gz RLECOXIDRJJQAY-LURJTMIESA-N -1 3 302.140 2.612 20 0 DFADHM Fc1ccc(NC[C@@H]2CC2(Cl)Cl)cc1-c1nn[n-]n1 ZINC000737660822 598603740 /nfs/dbraw/zinc/60/37/40/598603740.db2.gz RLECOXIDRJJQAY-LURJTMIESA-N -1 3 302.140 2.612 20 0 DFADHM CC(=O)c1ccc(Oc2nnc(C)c(C)c2-c2nnn[n-]2)c(C)c1 ZINC000735497397 598612564 /nfs/dbraw/zinc/61/25/64/598612564.db2.gz AQJWTGNFJTVSQL-UHFFFAOYSA-N -1 3 324.344 2.577 20 0 DFADHM CCC1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736402931 598628456 /nfs/dbraw/zinc/62/84/56/598628456.db2.gz QLXTZXMNWCMIKR-UHFFFAOYSA-N -1 3 318.356 2.660 20 0 DFADHM CCC1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736402931 598628457 /nfs/dbraw/zinc/62/84/57/598628457.db2.gz QLXTZXMNWCMIKR-UHFFFAOYSA-N -1 3 318.356 2.660 20 0 DFADHM CCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](C)C(C)C ZINC000736506100 598629460 /nfs/dbraw/zinc/62/94/60/598629460.db2.gz RBZGEBGATYLHSO-JTQLQIEISA-N -1 3 320.372 2.904 20 0 DFADHM CCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](C)C(C)C ZINC000736506100 598629463 /nfs/dbraw/zinc/62/94/63/598629463.db2.gz RBZGEBGATYLHSO-JTQLQIEISA-N -1 3 320.372 2.904 20 0 DFADHM Fc1ccc(CCNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737651177 598629713 /nfs/dbraw/zinc/62/97/13/598629713.db2.gz RSTJLALGYJBPII-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM Fc1ccc(CCNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737651177 598629714 /nfs/dbraw/zinc/62/97/14/598629714.db2.gz RSTJLALGYJBPII-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736335751 598633752 /nfs/dbraw/zinc/63/37/52/598633752.db2.gz ZNJPQHQFBSKHMM-IUCAKERBSA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736335751 598633754 /nfs/dbraw/zinc/63/37/54/598633754.db2.gz ZNJPQHQFBSKHMM-IUCAKERBSA-N -1 3 306.345 2.562 20 0 DFADHM CC(=O)c1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735499623 598645331 /nfs/dbraw/zinc/64/53/31/598645331.db2.gz PNOYJPNOEUDKLJ-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735499623 598645333 /nfs/dbraw/zinc/64/53/33/598645333.db2.gz PNOYJPNOEUDKLJ-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CCC[C@H](CC)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736425623 598657017 /nfs/dbraw/zinc/65/70/17/598657017.db2.gz VWDZOFQCBDUIJO-LBPRGKRZSA-N -1 3 319.434 2.654 20 0 DFADHM CCC[C@H](CC)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736425623 598657018 /nfs/dbraw/zinc/65/70/18/598657018.db2.gz VWDZOFQCBDUIJO-LBPRGKRZSA-N -1 3 319.434 2.654 20 0 DFADHM CC(C)(CNc1ncccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735671489 598672532 /nfs/dbraw/zinc/67/25/32/598672532.db2.gz WWXKMOUAUUONIH-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CC(C)(CNc1ncccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735671489 598672534 /nfs/dbraw/zinc/67/25/34/598672534.db2.gz WWXKMOUAUUONIH-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CC[C@@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000736407559 598678063 /nfs/dbraw/zinc/67/80/63/598678063.db2.gz PJKRZNCVNDDMTP-MWLCHTKSSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000736407559 598678064 /nfs/dbraw/zinc/67/80/64/598678064.db2.gz PJKRZNCVNDDMTP-MWLCHTKSSA-N -1 3 307.785 2.524 20 0 DFADHM CC(C)c1ccccc1OCCNc1ncccc1-c1nnn[n-]1 ZINC000735933667 598681314 /nfs/dbraw/zinc/68/13/14/598681314.db2.gz ZOUKXNYZDAPZJN-UHFFFAOYSA-N -1 3 324.388 2.876 20 0 DFADHM CC(C)c1ccccc1OCCNc1ncccc1-c1nn[n-]n1 ZINC000735933667 598681316 /nfs/dbraw/zinc/68/13/16/598681316.db2.gz ZOUKXNYZDAPZJN-UHFFFAOYSA-N -1 3 324.388 2.876 20 0 DFADHM CN(Cc1ccc(F)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736819343 598681564 /nfs/dbraw/zinc/68/15/64/598681564.db2.gz KHMOACHSYAZHSX-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM CN(Cc1ccc(F)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736819343 598681565 /nfs/dbraw/zinc/68/15/65/598681565.db2.gz KHMOACHSYAZHSX-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM CN(Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736820211 598682437 /nfs/dbraw/zinc/68/24/37/598682437.db2.gz SMDLGYRBRMTBOQ-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736820211 598682438 /nfs/dbraw/zinc/68/24/38/598682438.db2.gz SMDLGYRBRMTBOQ-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM O=C(C=C1CCCC1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737790753 598709633 /nfs/dbraw/zinc/70/96/33/598709633.db2.gz GPCAZFJRTWYPSQ-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM O=C(C=C1CCCC1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737790753 598709634 /nfs/dbraw/zinc/70/96/34/598709634.db2.gz GPCAZFJRTWYPSQ-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM Cc1ncc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)s1 ZINC000737491517 598723228 /nfs/dbraw/zinc/72/32/28/598723228.db2.gz LHNWEIIGXRPATC-UHFFFAOYSA-N -1 3 323.385 2.543 20 0 DFADHM Cc1ncc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)s1 ZINC000737491517 598723229 /nfs/dbraw/zinc/72/32/29/598723229.db2.gz LHNWEIIGXRPATC-UHFFFAOYSA-N -1 3 323.385 2.543 20 0 DFADHM CC[C@H](C)CN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736322765 598728943 /nfs/dbraw/zinc/72/89/43/598728943.db2.gz OTCGFUSNRVFYQQ-JTQLQIEISA-N -1 3 302.382 2.685 20 0 DFADHM CC[C@H](C)CN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736322765 598728944 /nfs/dbraw/zinc/72/89/44/598728944.db2.gz OTCGFUSNRVFYQQ-JTQLQIEISA-N -1 3 302.382 2.685 20 0 DFADHM CC[C@H](C)CN(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736322466 598730709 /nfs/dbraw/zinc/73/07/09/598730709.db2.gz KVDSNVMGLVRACK-VIFPVBQESA-N -1 3 306.345 2.516 20 0 DFADHM CC[C@H](C)CN(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736322466 598730710 /nfs/dbraw/zinc/73/07/10/598730710.db2.gz KVDSNVMGLVRACK-VIFPVBQESA-N -1 3 306.345 2.516 20 0 DFADHM Cc1ccccc1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737428492 598735120 /nfs/dbraw/zinc/73/51/20/598735120.db2.gz YGVOICFOZYSTTL-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM Cc1ccccc1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737428492 598735122 /nfs/dbraw/zinc/73/51/22/598735122.db2.gz YGVOICFOZYSTTL-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c(C)c1 ZINC000737236159 598737945 /nfs/dbraw/zinc/73/79/45/598737945.db2.gz FGGGTYBEXUHRKG-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(C)c1 ZINC000737236159 598737947 /nfs/dbraw/zinc/73/79/47/598737947.db2.gz FGGGTYBEXUHRKG-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735750029 598749486 /nfs/dbraw/zinc/74/94/86/598749486.db2.gz OZLRAVYLHIGQHO-DOMZBBRYSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000735750029 598749487 /nfs/dbraw/zinc/74/94/87/598749487.db2.gz OZLRAVYLHIGQHO-DOMZBBRYSA-N -1 3 313.405 2.811 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736060147 598750416 /nfs/dbraw/zinc/75/04/16/598750416.db2.gz YUDKXHKPBQWMIO-ZDUSSCGKSA-N -1 3 322.368 2.789 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736060147 598750417 /nfs/dbraw/zinc/75/04/17/598750417.db2.gz YUDKXHKPBQWMIO-ZDUSSCGKSA-N -1 3 322.368 2.789 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC)C(C)C ZINC000736638014 598781767 /nfs/dbraw/zinc/78/17/67/598781767.db2.gz WKGHLCMJYUSIEE-UHFFFAOYSA-N -1 3 318.381 2.528 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC)C(C)C ZINC000736638014 598781769 /nfs/dbraw/zinc/78/17/69/598781769.db2.gz WKGHLCMJYUSIEE-UHFFFAOYSA-N -1 3 318.381 2.528 20 0 DFADHM Fc1ccc(F)c(OCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000737658026 598789694 /nfs/dbraw/zinc/78/96/94/598789694.db2.gz BSWOFACFSAAUEC-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Fc1ccc(F)c(OCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000737658026 598789695 /nfs/dbraw/zinc/78/96/95/598789695.db2.gz BSWOFACFSAAUEC-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Cc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000737392963 598794944 /nfs/dbraw/zinc/79/49/44/598794944.db2.gz CKVUEXWSZZEDJO-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000737392963 598794946 /nfs/dbraw/zinc/79/49/46/598794946.db2.gz CKVUEXWSZZEDJO-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CC1(C)CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736211968 598799742 /nfs/dbraw/zinc/79/97/42/598799742.db2.gz SVYHPIRYZRTLIB-UHFFFAOYSA-N -1 3 318.356 2.660 20 0 DFADHM CC1(C)CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736211968 598799744 /nfs/dbraw/zinc/79/97/44/598799744.db2.gz SVYHPIRYZRTLIB-UHFFFAOYSA-N -1 3 318.356 2.660 20 0 DFADHM CN(C(=O)c1coc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736741978 598822735 /nfs/dbraw/zinc/82/27/35/598822735.db2.gz WNZHMTRVJQDBLK-UHFFFAOYSA-N -1 3 319.324 2.890 20 0 DFADHM CN(C(=O)c1coc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736741978 598822736 /nfs/dbraw/zinc/82/27/36/598822736.db2.gz WNZHMTRVJQDBLK-UHFFFAOYSA-N -1 3 319.324 2.890 20 0 DFADHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000737226592 599306466 /nfs/dbraw/zinc/30/64/66/599306466.db2.gz CMOWASGTVKUPDO-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000737226592 599306469 /nfs/dbraw/zinc/30/64/69/599306469.db2.gz CMOWASGTVKUPDO-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM C[C@@H](Nc1cccc2c1OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736139232 599322935 /nfs/dbraw/zinc/32/29/35/599322935.db2.gz UNIVDKCWDYZWGV-LLVKDONJSA-N -1 3 323.356 2.811 20 0 DFADHM C[C@@H](Nc1cccc2c1OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736139232 599322937 /nfs/dbraw/zinc/32/29/37/599322937.db2.gz UNIVDKCWDYZWGV-LLVKDONJSA-N -1 3 323.356 2.811 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cnc(C)s1 ZINC000736634970 599327928 /nfs/dbraw/zinc/32/79/28/599327928.db2.gz NVWXFDZVUFMMOY-UHFFFAOYSA-N -1 3 316.390 2.642 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cnc(C)s1 ZINC000736634970 599327930 /nfs/dbraw/zinc/32/79/30/599327930.db2.gz NVWXFDZVUFMMOY-UHFFFAOYSA-N -1 3 316.390 2.642 20 0 DFADHM CCC(CC)NC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000820898025 599349960 /nfs/dbraw/zinc/34/99/60/599349960.db2.gz SKHTZAQZKDRREI-JTQLQIEISA-N -1 3 319.434 2.652 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCCCC(F)(F)F ZINC000822736255 599358936 /nfs/dbraw/zinc/35/89/36/599358936.db2.gz BONSFZWEZCCJRX-UHFFFAOYSA-N -1 3 307.226 2.899 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCCCC(F)(F)F ZINC000822736255 599358939 /nfs/dbraw/zinc/35/89/39/599358939.db2.gz BONSFZWEZCCJRX-UHFFFAOYSA-N -1 3 307.226 2.899 20 0 DFADHM C[C@@H](CCC(C)(C)C)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735987491 599380291 /nfs/dbraw/zinc/38/02/91/599380291.db2.gz ZTRVQDHCOGJLGX-VIFPVBQESA-N -1 3 307.423 2.873 20 0 DFADHM C[C@@H](CCC(C)(C)C)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735987491 599380293 /nfs/dbraw/zinc/38/02/93/599380293.db2.gz ZTRVQDHCOGJLGX-VIFPVBQESA-N -1 3 307.423 2.873 20 0 DFADHM c1cc(-c2nnn[n-]2)oc1CNCc1csc2ccccc12 ZINC000823791282 599408278 /nfs/dbraw/zinc/40/82/78/599408278.db2.gz ALZBJIVFBOSCEM-UHFFFAOYSA-N -1 3 311.370 2.964 20 0 DFADHM Fc1ccc(C2(NCc3ccc(-c4nnn[n-]4)o3)CCC2)cc1 ZINC000822767026 599426208 /nfs/dbraw/zinc/42/62/08/599426208.db2.gz TZBDBOGAUQIBGM-UHFFFAOYSA-N -1 3 313.336 2.768 20 0 DFADHM Fc1ccccc1C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737664938 599441847 /nfs/dbraw/zinc/44/18/47/599441847.db2.gz QMACULMWELQJEC-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1ccccc1C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737664938 599441851 /nfs/dbraw/zinc/44/18/51/599441851.db2.gz QMACULMWELQJEC-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM CCCC[C@@H](COC)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736438589 599442477 /nfs/dbraw/zinc/44/24/77/599442477.db2.gz OFLTXLBRIQZJTD-JTQLQIEISA-N -1 3 310.789 2.532 20 0 DFADHM CCCC[C@@H](COC)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736438589 599442480 /nfs/dbraw/zinc/44/24/80/599442480.db2.gz OFLTXLBRIQZJTD-JTQLQIEISA-N -1 3 310.789 2.532 20 0 DFADHM CCCC[C@@H](COC)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000736437753 599442635 /nfs/dbraw/zinc/44/26/35/599442635.db2.gz KUZVMPNWNLRPHF-JTQLQIEISA-N -1 3 311.336 2.762 20 0 DFADHM CCCC[C@@H](COC)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000736437753 599442637 /nfs/dbraw/zinc/44/26/37/599442637.db2.gz KUZVMPNWNLRPHF-JTQLQIEISA-N -1 3 311.336 2.762 20 0 DFADHM CSC[C@H](C)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737175669 599443911 /nfs/dbraw/zinc/44/39/11/599443911.db2.gz FYYXUPYFSXHXJU-VIFPVBQESA-N -1 3 300.391 2.578 20 0 DFADHM CSC[C@H](C)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737175669 599443913 /nfs/dbraw/zinc/44/39/13/599443913.db2.gz FYYXUPYFSXHXJU-VIFPVBQESA-N -1 3 300.391 2.578 20 0 DFADHM Fc1ccc(F)c(CNCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822775567 599457757 /nfs/dbraw/zinc/45/77/57/599457757.db2.gz XSDCPCAUMCJFKR-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM Fc1ccc(NC[C@H]2CC2(Cl)Cl)c(-c2nnn[n-]2)c1 ZINC000822779264 599466554 /nfs/dbraw/zinc/46/65/54/599466554.db2.gz SQODJFFYAHQKCR-ZCFIWIBFSA-N -1 3 302.140 2.612 20 0 DFADHM Fc1ccc(NC[C@H]2CC2(Cl)Cl)c(-c2nn[n-]n2)c1 ZINC000822779264 599466556 /nfs/dbraw/zinc/46/65/56/599466556.db2.gz SQODJFFYAHQKCR-ZCFIWIBFSA-N -1 3 302.140 2.612 20 0 DFADHM CO[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000821676819 599468856 /nfs/dbraw/zinc/46/88/56/599468856.db2.gz HWAZRRVRCZSIOL-HNNXBMFYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccsc1 ZINC000822334734 599474269 /nfs/dbraw/zinc/47/42/69/599474269.db2.gz FMEICKDDOJSFRT-UHFFFAOYSA-N -1 3 322.397 2.819 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccsc1 ZINC000822334734 599474270 /nfs/dbraw/zinc/47/42/70/599474270.db2.gz FMEICKDDOJSFRT-UHFFFAOYSA-N -1 3 322.397 2.819 20 0 DFADHM CC[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820978700 599474826 /nfs/dbraw/zinc/47/48/26/599474826.db2.gz CFYITLGOFIBWRD-SMDDNHRTSA-N -1 3 314.393 2.512 20 0 DFADHM CC[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820978700 599474828 /nfs/dbraw/zinc/47/48/28/599474828.db2.gz CFYITLGOFIBWRD-SMDDNHRTSA-N -1 3 314.393 2.512 20 0 DFADHM COCc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821695963 599480771 /nfs/dbraw/zinc/48/07/71/599480771.db2.gz PIAAUTUXCCASAZ-UHFFFAOYSA-N -1 3 313.336 2.764 20 0 DFADHM COCc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821695963 599480774 /nfs/dbraw/zinc/48/07/74/599480774.db2.gz PIAAUTUXCCASAZ-UHFFFAOYSA-N -1 3 313.336 2.764 20 0 DFADHM CC(C)[C@H](C)CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820358859 599485792 /nfs/dbraw/zinc/48/57/92/599485792.db2.gz PSFKCGARESOQHH-NEPJUHHUSA-N -1 3 316.409 2.519 20 0 DFADHM CC(C)[C@H](C)CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820358859 599485794 /nfs/dbraw/zinc/48/57/94/599485794.db2.gz PSFKCGARESOQHH-NEPJUHHUSA-N -1 3 316.409 2.519 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822226591 599516222 /nfs/dbraw/zinc/51/62/22/599516222.db2.gz ZJQOQQVHSHJQDG-JTQLQIEISA-N -1 3 313.386 2.728 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822226591 599516223 /nfs/dbraw/zinc/51/62/23/599516223.db2.gz ZJQOQQVHSHJQDG-JTQLQIEISA-N -1 3 313.386 2.728 20 0 DFADHM CCOCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736616565 599518544 /nfs/dbraw/zinc/51/85/44/599518544.db2.gz TTWMPNPDMIWEIX-UHFFFAOYSA-N -1 3 315.299 2.724 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCc2ccccc2N1 ZINC000822748358 599524492 /nfs/dbraw/zinc/52/44/92/599524492.db2.gz VRNNNZZIBNJXFV-ZDUSSCGKSA-N -1 3 324.363 2.845 20 0 DFADHM Cc1ccc(C[C@@H](C)N(C)c2ncccc2-c2nnn[n-]2)cc1 ZINC000737334534 599531274 /nfs/dbraw/zinc/53/12/74/599531274.db2.gz IAYVWOOPWOOQIW-CYBMUJFWSA-N -1 3 308.389 2.638 20 0 DFADHM Cc1ccc(C[C@@H](C)N(C)c2ncccc2-c2nn[n-]n2)cc1 ZINC000737334534 599531276 /nfs/dbraw/zinc/53/12/76/599531276.db2.gz IAYVWOOPWOOQIW-CYBMUJFWSA-N -1 3 308.389 2.638 20 0 DFADHM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820690642 599532351 /nfs/dbraw/zinc/53/23/51/599532351.db2.gz PKJNOINUEIVMAB-TYNCELHUSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820690642 599532353 /nfs/dbraw/zinc/53/23/53/599532353.db2.gz PKJNOINUEIVMAB-TYNCELHUSA-N -1 3 313.405 2.870 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(C)(C)C ZINC000737057683 599545173 /nfs/dbraw/zinc/54/51/73/599545173.db2.gz HYUFPVOPMOZRSU-UHFFFAOYSA-N -1 3 303.366 2.640 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCC(C)(C)C ZINC000737057683 599545172 /nfs/dbraw/zinc/54/51/72/599545172.db2.gz HYUFPVOPMOZRSU-UHFFFAOYSA-N -1 3 303.366 2.640 20 0 DFADHM C[C@@H]1CC[C@H](C)N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820683497 599547120 /nfs/dbraw/zinc/54/71/20/599547120.db2.gz BZJZRSKLXCJOJA-GBYBRZQVSA-N -1 3 311.389 2.527 20 0 DFADHM C[C@@H]1CC[C@H](C)N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820683497 599547123 /nfs/dbraw/zinc/54/71/23/599547123.db2.gz BZJZRSKLXCJOJA-GBYBRZQVSA-N -1 3 311.389 2.527 20 0 DFADHM CC[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000820995618 599549531 /nfs/dbraw/zinc/54/95/31/599549531.db2.gz VCESJJDPWBCWTE-UWVGGRQHSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000820995618 599549533 /nfs/dbraw/zinc/54/95/33/599549533.db2.gz VCESJJDPWBCWTE-UWVGGRQHSA-N -1 3 307.785 2.524 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000823359340 599554170 /nfs/dbraw/zinc/55/41/70/599554170.db2.gz LZCQJHSVNOJJBW-FZMZJTMJSA-N -1 3 312.377 2.663 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000823359340 599554171 /nfs/dbraw/zinc/55/41/71/599554171.db2.gz LZCQJHSVNOJJBW-FZMZJTMJSA-N -1 3 312.377 2.663 20 0 DFADHM CO[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)C(F)(F)F ZINC000821676740 599557500 /nfs/dbraw/zinc/55/75/00/599557500.db2.gz GMTXRNKDCYFKEJ-QMMMGPOBSA-N -1 3 321.690 2.509 20 0 DFADHM CO[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)C(F)(F)F ZINC000821676740 599557503 /nfs/dbraw/zinc/55/75/03/599557503.db2.gz GMTXRNKDCYFKEJ-QMMMGPOBSA-N -1 3 321.690 2.509 20 0 DFADHM CC(C)(C)C[C@H](O)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000819906097 599560413 /nfs/dbraw/zinc/56/04/13/599560413.db2.gz CNMBFRHCVGJDMB-VIFPVBQESA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)(C)C[C@H](O)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000819906097 599560416 /nfs/dbraw/zinc/56/04/16/599560416.db2.gz CNMBFRHCVGJDMB-VIFPVBQESA-N -1 3 309.801 2.729 20 0 DFADHM O[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccsc1 ZINC000823689140 599567794 /nfs/dbraw/zinc/56/77/94/599567794.db2.gz BJHBBPWOHPNJHN-LLVKDONJSA-N -1 3 321.793 2.727 20 0 DFADHM O[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccsc1 ZINC000823689140 599567795 /nfs/dbraw/zinc/56/77/95/599567795.db2.gz BJHBBPWOHPNJHN-LLVKDONJSA-N -1 3 321.793 2.727 20 0 DFADHM CS[C@@H]1CCCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821956253 607385383 /nfs/dbraw/zinc/38/53/83/607385383.db2.gz KXMMHCZBZGOAHT-LLVKDONJSA-N -1 3 307.398 2.728 20 0 DFADHM CS[C@@H]1CCCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821956253 607385385 /nfs/dbraw/zinc/38/53/85/607385385.db2.gz KXMMHCZBZGOAHT-LLVKDONJSA-N -1 3 307.398 2.728 20 0 DFADHM C[C@H](C(=O)OCc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000735571850 599607058 /nfs/dbraw/zinc/60/70/58/599607058.db2.gz LBOAPZJBDFUQAM-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@H](C(=O)OCc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000735571850 599607060 /nfs/dbraw/zinc/60/70/60/599607060.db2.gz LBOAPZJBDFUQAM-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@H](c1cccs1)[S@@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736202685 599619071 /nfs/dbraw/zinc/61/90/71/599619071.db2.gz JIHNQPGTZJWJPG-UZJPJQLHSA-N -1 3 318.427 2.938 20 0 DFADHM C[C@H](c1cccs1)[S@@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736202685 599619072 /nfs/dbraw/zinc/61/90/72/599619072.db2.gz JIHNQPGTZJWJPG-UZJPJQLHSA-N -1 3 318.427 2.938 20 0 DFADHM C[C@@H](OC(=O)[C@H]1Cc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820488510 599622265 /nfs/dbraw/zinc/62/22/65/599622265.db2.gz OXICZEVZUJZVGP-BZNIZROVSA-N -1 3 320.352 2.811 20 0 DFADHM C[C@@H](OC(=O)[C@H]1Cc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820488510 599622266 /nfs/dbraw/zinc/62/22/66/599622266.db2.gz OXICZEVZUJZVGP-BZNIZROVSA-N -1 3 320.352 2.811 20 0 DFADHM C/C(=C\C(=O)OCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000819765315 599622925 /nfs/dbraw/zinc/62/29/25/599622925.db2.gz OGVYHIIPLYAKCU-PKNBQFBNSA-N -1 3 300.362 2.902 20 0 DFADHM C/C(=C\C(=O)OCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000819765315 599622926 /nfs/dbraw/zinc/62/29/26/599622926.db2.gz OGVYHIIPLYAKCU-PKNBQFBNSA-N -1 3 300.362 2.902 20 0 DFADHM CC(C)[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000820017448 599631036 /nfs/dbraw/zinc/63/10/36/599631036.db2.gz XKMQWHKHUSRSPT-OAHLLOKOSA-N -1 3 322.372 2.640 20 0 DFADHM CC(C)[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000820017448 599631037 /nfs/dbraw/zinc/63/10/37/599631037.db2.gz XKMQWHKHUSRSPT-OAHLLOKOSA-N -1 3 322.372 2.640 20 0 DFADHM CCC(C)(C)CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820848368 599648149 /nfs/dbraw/zinc/64/81/49/599648149.db2.gz WEINMAFUSWRVNL-NSHDSACASA-N -1 3 301.394 2.870 20 0 DFADHM CCC(C)(C)CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820848368 599648150 /nfs/dbraw/zinc/64/81/50/599648150.db2.gz WEINMAFUSWRVNL-NSHDSACASA-N -1 3 301.394 2.870 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820690935 599664032 /nfs/dbraw/zinc/66/40/32/599664032.db2.gz UCXKOCUTRJFNOC-CMPLNLGQSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820690935 599664033 /nfs/dbraw/zinc/66/40/33/599664033.db2.gz UCXKOCUTRJFNOC-CMPLNLGQSA-N -1 3 318.352 2.875 20 0 DFADHM CSc1ccc(F)cc1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000821982997 599686645 /nfs/dbraw/zinc/68/66/45/599686645.db2.gz CQBADIIVGXMAOZ-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM CSc1ccc(F)cc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000821982997 599686646 /nfs/dbraw/zinc/68/66/46/599686646.db2.gz CQBADIIVGXMAOZ-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc2cnccc21 ZINC000823387476 599690359 /nfs/dbraw/zinc/69/03/59/599690359.db2.gz LIPDSTLSMQIBCY-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc2cnccc21 ZINC000823387476 599690360 /nfs/dbraw/zinc/69/03/60/599690360.db2.gz LIPDSTLSMQIBCY-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM Cc1ccoc1CN(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000822380115 607387686 /nfs/dbraw/zinc/38/76/86/607387686.db2.gz YNDLLMWIXMPQNY-UHFFFAOYSA-N -1 3 301.325 2.539 20 0 DFADHM CN(C(=O)CN1CCC[C@@H]1C(C)(C)C)c1ccccc1C(=O)[O-] ZINC000737321496 599814089 /nfs/dbraw/zinc/81/40/89/599814089.db2.gz CMFKHWUONZDWIL-OAHLLOKOSA-N -1 3 318.417 2.858 20 0 DFADHM COc1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826214257 607409222 /nfs/dbraw/zinc/40/92/22/607409222.db2.gz GJKIOFKQZJGYBV-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826214257 607409223 /nfs/dbraw/zinc/40/92/23/607409223.db2.gz GJKIOFKQZJGYBV-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)c1ccco1 ZINC000826252402 607410940 /nfs/dbraw/zinc/41/09/40/607410940.db2.gz BSVZDCLRKBGIIJ-NSHDSACASA-N -1 3 312.329 2.615 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)c1ccco1 ZINC000826252402 607410941 /nfs/dbraw/zinc/41/09/41/607410941.db2.gz BSVZDCLRKBGIIJ-NSHDSACASA-N -1 3 312.329 2.615 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)c1ccco1 ZINC000826252401 607411039 /nfs/dbraw/zinc/41/10/39/607411039.db2.gz BSVZDCLRKBGIIJ-LLVKDONJSA-N -1 3 312.329 2.615 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)c1ccco1 ZINC000826252401 607411041 /nfs/dbraw/zinc/41/10/41/607411041.db2.gz BSVZDCLRKBGIIJ-LLVKDONJSA-N -1 3 312.329 2.615 20 0 DFADHM CCC(=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)CC ZINC000825029810 607415552 /nfs/dbraw/zinc/41/55/52/607415552.db2.gz ZVMRRUPXXRRMBS-UHFFFAOYSA-N -1 3 311.389 2.718 20 0 DFADHM CCC(=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)CC ZINC000825029810 607415553 /nfs/dbraw/zinc/41/55/53/607415553.db2.gz ZVMRRUPXXRRMBS-UHFFFAOYSA-N -1 3 311.389 2.718 20 0 DFADHM CCC(C)(C)CC(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000820847734 607418863 /nfs/dbraw/zinc/41/88/63/607418863.db2.gz JMMSBNJHPABMCT-UHFFFAOYSA-N -1 3 318.377 2.745 20 0 DFADHM CCC(C)(C)CC(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000820847734 607418864 /nfs/dbraw/zinc/41/88/64/607418864.db2.gz JMMSBNJHPABMCT-UHFFFAOYSA-N -1 3 318.377 2.745 20 0 DFADHM CCCCCCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825266764 607422463 /nfs/dbraw/zinc/42/24/63/607422463.db2.gz HEZWDVGNOOTHFU-UHFFFAOYSA-N -1 3 313.405 2.942 20 0 DFADHM CCCCCCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825266764 607422464 /nfs/dbraw/zinc/42/24/64/607422464.db2.gz HEZWDVGNOOTHFU-UHFFFAOYSA-N -1 3 313.405 2.942 20 0 DFADHM O=C([O-])[C@@H]1CCCN(C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000739583328 600129028 /nfs/dbraw/zinc/12/90/28/600129028.db2.gz BMWVCXRTSZTKJJ-ZWNOBZJWSA-N -1 3 317.307 2.535 20 0 DFADHM C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1cccc(C(=O)[O-])c1 ZINC000736597888 600329808 /nfs/dbraw/zinc/32/98/08/600329808.db2.gz CKSRJFBNUYXMFE-GFCCVEGCSA-N -1 3 322.405 2.730 20 0 DFADHM C[C@@H](C(=O)Nc1cccc(NC(=O)[O-])c1)N1CCCCCC1 ZINC000736218332 600406066 /nfs/dbraw/zinc/40/60/66/600406066.db2.gz NMUNGZYITVNWNL-LBPRGKRZSA-N -1 3 305.378 2.980 20 0 DFADHM O=C([O-])[C@H](NCc1cccnc1)c1ccc(Br)cc1 ZINC000739506251 600417127 /nfs/dbraw/zinc/41/71/27/600417127.db2.gz WXOWZVWIOQBHBV-CYBMUJFWSA-N -1 3 321.174 2.760 20 0 DFADHM CC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736167958 600423257 /nfs/dbraw/zinc/42/32/57/600423257.db2.gz PNDZMNBFRUDNON-INIZCTEOSA-N -1 3 316.332 2.700 20 0 DFADHM CCN(Cc1cc(C(=O)[O-])co1)C[C@H](O)c1ccc(C)cc1 ZINC000829719114 600849696 /nfs/dbraw/zinc/84/96/96/600849696.db2.gz ZBLMAWQYOUHXRL-INIZCTEOSA-N -1 3 303.358 2.842 20 0 DFADHM O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCN(CC2CCC2)CC1 ZINC000833172116 600986928 /nfs/dbraw/zinc/98/69/28/600986928.db2.gz SEENMAGWCDZYCV-INIZCTEOSA-N -1 3 322.836 2.883 20 0 DFADHM CC(C)C[C@@H](CNC(=O)Nc1cccc(CN(C)C)c1)C(=O)[O-] ZINC000826775144 601004181 /nfs/dbraw/zinc/00/41/81/601004181.db2.gz HQWFGUOGGQCRCT-AWEZNQCLSA-N -1 3 321.421 2.617 20 0 DFADHM C/C(=C/CN1CCC(C(=O)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000825736244 601052128 /nfs/dbraw/zinc/05/21/28/601052128.db2.gz WOQULPZSNRPRPK-AUWJEWJLSA-N -1 3 301.386 2.921 20 0 DFADHM C/C(=C\CN(Cc1cccc(F)c1)C[C@H]1CCCO1)C(=O)[O-] ZINC000825730069 601053250 /nfs/dbraw/zinc/05/32/50/601053250.db2.gz QPMOGOWRHHPRHF-ROCHPLJESA-N -1 3 307.365 2.838 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1cccc(C(C)=O)c1 ZINC000821749252 607490630 /nfs/dbraw/zinc/49/06/30/607490630.db2.gz CMXQCRXFAOTOHQ-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM CC(C)Oc1ncccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820177858 607491905 /nfs/dbraw/zinc/49/19/05/607491905.db2.gz BQHXYTSZKYNOBE-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)Oc1ncccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820177858 607491907 /nfs/dbraw/zinc/49/19/07/607491907.db2.gz BQHXYTSZKYNOBE-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832932044 601148367 /nfs/dbraw/zinc/14/83/67/601148367.db2.gz FSLIUPHPYOJLSE-HUUCEWRRSA-N -1 3 318.417 2.886 20 0 DFADHM COc1ccc(OC2CCN(C/C=C(/C)C(=O)[O-])CC2)cc1 ZINC000832439442 601158245 /nfs/dbraw/zinc/15/82/45/601158245.db2.gz SLWKNYCGVPUZSD-QPEQYQDCSA-N -1 3 305.374 2.569 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN(CC)CCc1ccccn1 ZINC000830362556 601413600 /nfs/dbraw/zinc/41/36/00/601413600.db2.gz BZMIDRRGPCZLRN-UHFFFAOYSA-N -1 3 302.374 3.000 20 0 DFADHM Cc1[nH]c(C(=O)CN2C[C@@H]3CCCC[C@H]3C2)c(C)c1C(=O)[O-] ZINC000832843833 601425586 /nfs/dbraw/zinc/42/55/86/601425586.db2.gz HNMMNEDCPBIUEU-STQMWFEESA-N -1 3 304.390 2.634 20 0 DFADHM CCN1CCCC[C@@H]1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000829770072 601444715 /nfs/dbraw/zinc/44/47/15/601444715.db2.gz CMDLZHKMVSVAFI-MRVPVSSYSA-N -1 3 303.815 2.781 20 0 DFADHM CC[C@H](C)c1ccc(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000828764718 601522054 /nfs/dbraw/zinc/52/20/54/601522054.db2.gz MHXULHKIILXZFC-ZENOOKHLSA-N -1 3 318.417 2.791 20 0 DFADHM Cc1cc(C)c(NC(=O)[C@H](C)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000832876989 601529283 /nfs/dbraw/zinc/52/92/83/601529283.db2.gz GBQDXSBGTZWVEU-QLFBSQMISA-N -1 3 318.417 2.591 20 0 DFADHM Cc1ccccc1-c1noc([C@H](C)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000832974774 601531665 /nfs/dbraw/zinc/53/16/65/601531665.db2.gz OALDRNRTRAKCAR-MBNYWOFBSA-N -1 3 315.373 2.759 20 0 DFADHM Cc1ccccc1-c1noc([C@H](C)N2C[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000832974776 601531669 /nfs/dbraw/zinc/53/16/69/601531669.db2.gz OALDRNRTRAKCAR-OBJOEFQTSA-N -1 3 315.373 2.759 20 0 DFADHM O=C([O-])CC1(NCc2cn(-c3ccccc3)nn2)CCCCC1 ZINC000833205847 601562342 /nfs/dbraw/zinc/56/23/42/601562342.db2.gz OPUBPJLXUSJNOZ-UHFFFAOYSA-N -1 3 314.389 2.535 20 0 DFADHM O=C([O-])c1ccc(CN2CCC(Cn3cccn3)CC2)cc1F ZINC000833312929 601632222 /nfs/dbraw/zinc/63/22/22/601632222.db2.gz KWMLRUZNQLMTNO-UHFFFAOYSA-N -1 3 317.364 2.633 20 0 DFADHM O=C([O-])CCC1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000833224562 601841367 /nfs/dbraw/zinc/84/13/67/601841367.db2.gz ZMWQWFNVLHRADR-OAHLLOKOSA-N -1 3 313.344 2.575 20 0 DFADHM CN(C[C@H]1CCCCO1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830718595 601902416 /nfs/dbraw/zinc/90/24/16/601902416.db2.gz VKAZKTNUWQVSCF-QMTHXVAHSA-N -1 3 317.307 2.731 20 0 DFADHM CC[C@@H](C)c1ccc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000263100701 601936595 /nfs/dbraw/zinc/93/65/95/601936595.db2.gz IUGTUELVDGQCCH-FZKQIMNGSA-N -1 3 318.417 2.935 20 0 DFADHM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000832886314 601954248 /nfs/dbraw/zinc/95/42/48/601954248.db2.gz LHVBJQLXLGGQKJ-BDJLRTHQSA-N -1 3 324.808 2.772 20 0 DFADHM O=C([O-])c1ccc(CN(CCO)[C@H]2CCc3ccccc32)s1 ZINC000833315519 601956639 /nfs/dbraw/zinc/95/66/39/601956639.db2.gz YADRKWPULDEVPV-HNNXBMFYSA-N -1 3 317.410 2.928 20 0 DFADHM O=C([O-])c1occc1CNC1(c2cccc(F)c2)CCOCC1 ZINC000833346463 602051800 /nfs/dbraw/zinc/05/18/00/602051800.db2.gz NBQHRUSWSZKRTF-UHFFFAOYSA-N -1 3 319.332 2.912 20 0 DFADHM COc1ccc(CNc2ccc(C(C)=O)cc2)cc1-c1nnn[n-]1 ZINC000826203833 607545603 /nfs/dbraw/zinc/54/56/03/607545603.db2.gz IKHNLWZCOKSXQM-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM COc1ccc(CNc2ccc(C(C)=O)cc2)cc1-c1nn[n-]n1 ZINC000826203833 607545605 /nfs/dbraw/zinc/54/56/05/607545605.db2.gz IKHNLWZCOKSXQM-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM COc1ccc(CSCC(=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826207295 607550758 /nfs/dbraw/zinc/55/07/58/607550758.db2.gz ISCACLDTPXPCDG-UHFFFAOYSA-N -1 3 320.418 2.724 20 0 DFADHM COc1ccc(CSCC(=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826207295 607550760 /nfs/dbraw/zinc/55/07/60/607550760.db2.gz ISCACLDTPXPCDG-UHFFFAOYSA-N -1 3 320.418 2.724 20 0 DFADHM C[C@H]1CSC(SCc2ccc(F)cc2-c2nnn[n-]2)=N1 ZINC000825012626 608014086 /nfs/dbraw/zinc/01/40/86/608014086.db2.gz KOMBWQKLDQVDBF-ZETCQYMHSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@H]1CSC(SCc2ccc(F)cc2-c2nn[n-]n2)=N1 ZINC000825012626 608014087 /nfs/dbraw/zinc/01/40/87/608014087.db2.gz KOMBWQKLDQVDBF-ZETCQYMHSA-N -1 3 309.395 2.730 20 0 DFADHM CC[C@@]1(C)CCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000829049556 602239853 /nfs/dbraw/zinc/23/98/53/602239853.db2.gz AUONAQRPQFUGJG-KRWDZBQOSA-N -1 3 319.405 2.515 20 0 DFADHM CCC(CC)[C@@H](CCNc1ccc(-c2nnn[n-]2)cn1)OC ZINC000825097777 607564669 /nfs/dbraw/zinc/56/46/69/607564669.db2.gz YXVNIPPESMDPOL-CYBMUJFWSA-N -1 3 304.398 2.515 20 0 DFADHM CCC(CC)[C@@H](CCNc1ccc(-c2nn[n-]n2)cn1)OC ZINC000825097777 607564670 /nfs/dbraw/zinc/56/46/70/607564670.db2.gz YXVNIPPESMDPOL-CYBMUJFWSA-N -1 3 304.398 2.515 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c2ccccc21 ZINC000824919062 607775212 /nfs/dbraw/zinc/77/52/12/607775212.db2.gz RQEUNYMAPQMXCU-GWCFXTLKSA-N -1 3 322.372 2.563 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c2ccccc21 ZINC000824919062 607775213 /nfs/dbraw/zinc/77/52/13/607775213.db2.gz RQEUNYMAPQMXCU-GWCFXTLKSA-N -1 3 322.372 2.563 20 0 DFADHM Cc1nc([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000826323913 607569275 /nfs/dbraw/zinc/56/92/75/607569275.db2.gz WZDWPVITVKTIBC-VIFPVBQESA-N -1 3 314.418 2.791 20 0 DFADHM Cc1cccc(C)c1OCCN1CCC(N(C)C(=O)[O-])CC1 ZINC000738308798 602558747 /nfs/dbraw/zinc/55/87/47/602558747.db2.gz PKOWMNOWIXGSGN-UHFFFAOYSA-N -1 3 306.406 2.756 20 0 DFADHM C[C@H](C(=O)Nc1ccc(NC(=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000736764084 602575326 /nfs/dbraw/zinc/57/53/26/602575326.db2.gz QFEGREQLGKXONL-GRYCIOLGSA-N -1 3 305.378 2.976 20 0 DFADHM CC[C@@H](SC)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825158810 607575442 /nfs/dbraw/zinc/57/54/42/607575442.db2.gz ASXCIPHERYQZLU-SNVBAGLBSA-N -1 3 311.798 2.600 20 0 DFADHM CC[C@@H](SC)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825158810 607575443 /nfs/dbraw/zinc/57/54/43/607575443.db2.gz ASXCIPHERYQZLU-SNVBAGLBSA-N -1 3 311.798 2.600 20 0 DFADHM CCc1ccc([C@@H](COC)NCCC2CCN(C(=O)[O-])CC2)o1 ZINC000827576753 603164518 /nfs/dbraw/zinc/16/45/18/603164518.db2.gz HNSUYWJRNSPLIO-OAHLLOKOSA-N -1 3 324.421 2.899 20 0 DFADHM CC[C@@H](SC)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825159106 607616311 /nfs/dbraw/zinc/61/63/11/607616311.db2.gz JDCCYOOLJFQFIR-BXKDBHETSA-N -1 3 306.391 2.613 20 0 DFADHM CC[C@@H](SC)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825159106 607616313 /nfs/dbraw/zinc/61/63/13/607616313.db2.gz JDCCYOOLJFQFIR-BXKDBHETSA-N -1 3 306.391 2.613 20 0 DFADHM CN(C(=O)[O-])[C@@H]1CCN(C[C@@H](O)c2ccc3ccccc3c2)C1 ZINC000827881884 603806566 /nfs/dbraw/zinc/80/65/66/603806566.db2.gz IUPTZZHAAQFPAY-IAGOWNOFSA-N -1 3 314.385 2.557 20 0 DFADHM Cc1nc2ccccn2c1CN1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000830791765 603923132 /nfs/dbraw/zinc/92/31/32/603923132.db2.gz 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607684906 /nfs/dbraw/zinc/68/49/06/607684906.db2.gz NCYXKJYKQPKIKA-UHFFFAOYSA-N -1 3 311.389 2.722 20 0 DFADHM Cc1nc2ccccn2c1CN1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830793251 604322623 /nfs/dbraw/zinc/32/26/23/604322623.db2.gz OIKXUAFAQCXBHF-TZMCWYRMSA-N -1 3 316.405 2.511 20 0 DFADHM CCOc1ccc2c(c1)[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)CCO2 ZINC000827445157 604327785 /nfs/dbraw/zinc/32/77/85/604327785.db2.gz VTZBGFSDJOACRA-WFASDCNBSA-N -1 3 320.389 2.641 20 0 DFADHM Cc1cc([C@@H](C)N2CCN(C3CCCC3)CC2)oc1C(=O)[O-] ZINC000832870499 604382379 /nfs/dbraw/zinc/38/23/79/604382379.db2.gz IYSFBJOCQQRQNH-CYBMUJFWSA-N -1 3 306.406 2.907 20 0 DFADHM Cc1cc([C@H](C)N2CCC(c3ncc[nH]3)CC2)oc1C(=O)[O-] ZINC000832870151 604384076 /nfs/dbraw/zinc/38/40/76/604384076.db2.gz BQWRJFGSLURRMT-NSHDSACASA-N -1 3 303.362 2.950 20 0 DFADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824077486 607691287 /nfs/dbraw/zinc/69/12/87/607691287.db2.gz BOPSUDSKLGMSNT-WDEREUQCSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824077486 607691288 /nfs/dbraw/zinc/69/12/88/607691288.db2.gz BOPSUDSKLGMSNT-WDEREUQCSA-N -1 3 316.409 2.530 20 0 DFADHM C/C(=C/C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1)C(=O)[O-] ZINC000833382125 604474102 /nfs/dbraw/zinc/47/41/02/604474102.db2.gz GZKCJPWFIGOBID-UQTJOTSZSA-N -1 3 312.373 2.640 20 0 DFADHM C/C(=C/C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1)C(=O)[O-] ZINC000833382125 604474105 /nfs/dbraw/zinc/47/41/05/604474105.db2.gz GZKCJPWFIGOBID-UQTJOTSZSA-N -1 3 312.373 2.640 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)C1CCCCC1 ZINC000826245878 607694596 /nfs/dbraw/zinc/69/45/96/607694596.db2.gz KQFBWQVHYMCIBP-GFCCVEGCSA-N -1 3 313.405 2.874 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)C1CCCCC1 ZINC000826245878 607694598 /nfs/dbraw/zinc/69/45/98/607694598.db2.gz KQFBWQVHYMCIBP-GFCCVEGCSA-N -1 3 313.405 2.874 20 0 DFADHM CCc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825722044 607694697 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ZINC000824274569 607697337 /nfs/dbraw/zinc/69/73/37/607697337.db2.gz KOQQKVRFYOOHKE-UHFFFAOYSA-N -1 3 320.418 2.803 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1Cc2ccccc2[C@H]1C ZINC000826245912 607700843 /nfs/dbraw/zinc/70/08/43/607700843.db2.gz MBSFVZOSDOMGPQ-GFCCVEGCSA-N -1 3 319.368 2.892 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1Cc2ccccc2[C@H]1C ZINC000826245912 607700844 /nfs/dbraw/zinc/70/08/44/607700844.db2.gz MBSFVZOSDOMGPQ-GFCCVEGCSA-N -1 3 319.368 2.892 20 0 DFADHM O=C([O-])c1cc(CN2CCC[C@@H](Oc3ccccc3)C2)c[nH]1 ZINC000833780327 604588602 /nfs/dbraw/zinc/58/86/02/604588602.db2.gz VDEAEMWOZOPHBR-OAHLLOKOSA-N -1 3 300.358 2.756 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC1(C)CCCCC1 ZINC000826248002 607703360 /nfs/dbraw/zinc/70/33/60/607703360.db2.gz SXJRFPUGVMNVOR-UHFFFAOYSA-N -1 3 313.405 2.875 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC1(C)CCCCC1 ZINC000826248002 607703361 /nfs/dbraw/zinc/70/33/61/607703361.db2.gz SXJRFPUGVMNVOR-UHFFFAOYSA-N -1 3 313.405 2.875 20 0 DFADHM CC1(C)Cc2cc(CN3CCSC[C@H]3CC(=O)[O-])ccc2O1 ZINC000833561173 604660229 /nfs/dbraw/zinc/66/02/29/604660229.db2.gz QWDWAMPAFMQBFF-CQSZACIVSA-N -1 3 321.442 2.792 20 0 DFADHM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C[C@H]1CCCOC1)CC3 ZINC000833325500 604789780 /nfs/dbraw/zinc/78/97/80/604789780.db2.gz QHOQGEPKCXKDGZ-GFCCVEGCSA-N -1 3 314.385 2.651 20 0 DFADHM CN1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000820620184 604858678 /nfs/dbraw/zinc/85/86/78/604858678.db2.gz IPNIRVRUBBATAF-SJORKVTESA-N -1 3 324.380 2.560 20 0 DFADHM C/C(=C/CN1CCC[C@H]1CC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000833382725 604971196 /nfs/dbraw/zinc/97/11/96/604971196.db2.gz LIMLFQKKQYNZLB-PINLSGDHSA-N -1 3 305.349 2.894 20 0 DFADHM C[C@H](NCCCNC(=O)[O-])c1sccc1Br ZINC000825495923 604976971 /nfs/dbraw/zinc/97/69/71/604976971.db2.gz KWVCJYGVJOVYKH-ZETCQYMHSA-N -1 3 307.213 2.819 20 0 DFADHM C[C@@H](NCCCNC(=O)[O-])c1sccc1Br ZINC000825495922 604977036 /nfs/dbraw/zinc/97/70/36/604977036.db2.gz KWVCJYGVJOVYKH-SSDOTTSWSA-N -1 3 307.213 2.819 20 0 DFADHM CCOCc1ccc(CN[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830021135 604990869 /nfs/dbraw/zinc/99/08/69/604990869.db2.gz DCCNWXDIEZERMR-MRXNPFEDSA-N -1 3 300.358 2.534 20 0 DFADHM O=C([O-])[C@@H](NCc1cccc(Br)c1)c1cccnc1 ZINC000833170451 604999072 /nfs/dbraw/zinc/99/90/72/604999072.db2.gz VXNXXESFJUTVON-ZDUSSCGKSA-N -1 3 321.174 2.760 20 0 DFADHM c1ccc([C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCS2)cc1 ZINC000826520743 607729498 /nfs/dbraw/zinc/72/94/98/607729498.db2.gz QINBQDJZQGIDPF-OAHLLOKOSA-N -1 3 324.413 2.556 20 0 DFADHM c1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCS2)cc1 ZINC000826520743 607729500 /nfs/dbraw/zinc/72/95/00/607729500.db2.gz QINBQDJZQGIDPF-OAHLLOKOSA-N -1 3 324.413 2.556 20 0 DFADHM c1ccc([C@H]2CN(c3ncccc3-c3nnn[n-]3)CCS2)cc1 ZINC000826520935 607729645 /nfs/dbraw/zinc/72/96/45/607729645.db2.gz VOTHEDLATCNXQV-CQSZACIVSA-N -1 3 324.413 2.556 20 0 DFADHM c1ccc([C@H]2CN(c3ncccc3-c3nn[n-]n3)CCS2)cc1 ZINC000826520935 607729647 /nfs/dbraw/zinc/72/96/47/607729647.db2.gz VOTHEDLATCNXQV-CQSZACIVSA-N -1 3 324.413 2.556 20 0 DFADHM COc1cc(C)cc(CNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826178091 607730353 /nfs/dbraw/zinc/73/03/53/607730353.db2.gz JJUHPUVSISNAJC-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1cc(C)cc(CNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826178091 607730354 /nfs/dbraw/zinc/73/03/54/607730354.db2.gz JJUHPUVSISNAJC-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM C[C@@]1(NCc2nnc(-c3ccccc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833570320 605067731 /nfs/dbraw/zinc/06/77/31/605067731.db2.gz QWZSDFZUOFLOGS-SUMWQHHRSA-N -1 3 315.373 2.860 20 0 DFADHM CC(C)(C)[C@H](NCc1ccn(-c2c(F)cccc2F)n1)C(=O)[O-] ZINC000833423575 605076580 /nfs/dbraw/zinc/07/65/80/605076580.db2.gz CXPBCSUOPKWCTG-CQSZACIVSA-N -1 3 323.343 2.739 20 0 DFADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824213393 607737245 /nfs/dbraw/zinc/73/72/45/607737245.db2.gz ANKMUMMCUAAQIO-HNNXBMFYSA-N -1 3 324.388 2.664 20 0 DFADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824213393 607737246 /nfs/dbraw/zinc/73/72/46/607737246.db2.gz ANKMUMMCUAAQIO-HNNXBMFYSA-N -1 3 324.388 2.664 20 0 DFADHM C/C(=C\CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC000833382044 605225373 /nfs/dbraw/zinc/22/53/73/605225373.db2.gz GGJNMLYBXBDRNJ-INJWIWPUSA-N -1 3 317.311 2.570 20 0 DFADHM C/C(=C\CN[C@H](CC(=O)OC(C)C)c1ccccc1)C(=O)[O-] ZINC000833385814 605268933 /nfs/dbraw/zinc/26/89/33/605268933.db2.gz UOJUDONOZGPHKT-BMQCOBNYSA-N -1 3 305.374 2.690 20 0 DFADHM O=C([O-])N[C@@H](CNCc1csc(Br)c1)C1CC1 ZINC000834149746 605333115 /nfs/dbraw/zinc/33/31/15/605333115.db2.gz HKJMZNAJRFUUCM-VIFPVBQESA-N -1 3 319.224 2.646 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2CCS[C@H](c3ccccc3)C2)O1 ZINC000833581462 605342720 /nfs/dbraw/zinc/34/27/20/605342720.db2.gz WAAXDLBKMYBORJ-ZBFHGGJFSA-N -1 3 319.426 2.924 20 0 DFADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000833812582 605345344 /nfs/dbraw/zinc/34/53/44/605345344.db2.gz KGSDLQKUHFCZEE-TZMCWYRMSA-N -1 3 322.380 2.767 20 0 DFADHM CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824244348 607750894 /nfs/dbraw/zinc/75/08/94/607750894.db2.gz QTHJIEBSFDWEGN-LBPRGKRZSA-N -1 3 316.409 2.626 20 0 DFADHM CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824244348 607750895 /nfs/dbraw/zinc/75/08/95/607750895.db2.gz QTHJIEBSFDWEGN-LBPRGKRZSA-N -1 3 316.409 2.626 20 0 DFADHM CN(CC(=O)N(C)c1ccccc1C(=O)[O-])C[C@H]1CC=CCC1 ZINC000833691486 605410291 /nfs/dbraw/zinc/41/02/91/605410291.db2.gz OLKPHWVZDJRWFS-AWEZNQCLSA-N -1 3 316.401 2.636 20 0 DFADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CC2(C)C)cc1-c1nnn[n-]1 ZINC000824324326 607754817 /nfs/dbraw/zinc/75/48/17/607754817.db2.gz LCCFYHFWCATZPS-LBPRGKRZSA-N -1 3 315.377 2.639 20 0 DFADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CC2(C)C)cc1-c1nn[n-]n1 ZINC000824324326 607754818 /nfs/dbraw/zinc/75/48/18/607754818.db2.gz LCCFYHFWCATZPS-LBPRGKRZSA-N -1 3 315.377 2.639 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3ccncc3Cl)C[C@@H]21 ZINC000834177813 605451565 /nfs/dbraw/zinc/45/15/65/605451565.db2.gz CRIGVSLBMPIYJM-VHRBIJSZSA-N -1 3 309.797 2.603 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3nc4ccccc4o3)C[C@H]21 ZINC000834183384 605451682 /nfs/dbraw/zinc/45/16/82/605451682.db2.gz PCIFJGGCAIBODY-JHJVBQTASA-N -1 3 315.373 2.696 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3nc4ccccc4o3)C[C@@H]21 ZINC000834183391 605452073 /nfs/dbraw/zinc/45/20/73/605452073.db2.gz PCIFJGGCAIBODY-RWMBFGLXSA-N -1 3 315.373 2.696 20 0 DFADHM COC[C@H](N[C@H](C)C[C@@H]1CCCN1C(=O)[O-])c1ccc(C)o1 ZINC000828920029 605510676 /nfs/dbraw/zinc/51/06/76/605510676.db2.gz CFHGBKZHPJZRKO-XBFCOCLRSA-N -1 3 310.394 2.786 20 0 DFADHM O=C([O-])N(CC1CC1)C1CCN(Cc2ccc(CO)cc2)CC1 ZINC000834062414 605548422 /nfs/dbraw/zinc/54/84/22/605548422.db2.gz IVVWEUXKXPDZLA-UHFFFAOYSA-N -1 3 318.417 2.533 20 0 DFADHM Cc1ncsc1CN1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000833918406 605560010 /nfs/dbraw/zinc/56/00/10/605560010.db2.gz UFNIFTLMIWBPAV-QWHCGFSZSA-N -1 3 309.435 2.948 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)CC(C)C ZINC000826277762 607762865 /nfs/dbraw/zinc/76/28/65/607762865.db2.gz GDJIFPRWYXCNLY-LLVKDONJSA-N -1 3 302.382 2.731 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)CC(C)C ZINC000826277762 607762866 /nfs/dbraw/zinc/76/28/66/607762866.db2.gz GDJIFPRWYXCNLY-LLVKDONJSA-N -1 3 302.382 2.731 20 0 DFADHM CCOc1cc(CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)ccc1OC ZINC000833862547 605592386 /nfs/dbraw/zinc/59/23/86/605592386.db2.gz ZIUHVRQCBPMHDT-GXTWGEPZSA-N -1 3 322.405 2.572 20 0 DFADHM O=C([O-])N1CC[C@@H](N(Cc2cnc3ccccc3c2)C2CC2)C1 ZINC000834083908 605620362 /nfs/dbraw/zinc/62/03/62/605620362.db2.gz LLSKYBJXNQXVNH-MRXNPFEDSA-N -1 3 311.385 2.952 20 0 DFADHM Cc1ccncc1CN1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000833909573 605637363 /nfs/dbraw/zinc/63/73/63/605637363.db2.gz CYOSKLILSHSHML-INIZCTEOSA-N -1 3 303.406 2.744 20 0 DFADHM CCOc1cc(CN2CC[C@@H](NC(=O)[O-])C[C@@H]2C)ccc1OC ZINC000833861004 605681133 /nfs/dbraw/zinc/68/11/33/605681133.db2.gz DPNLHJXGKHNSJY-GXTWGEPZSA-N -1 3 322.405 2.714 20 0 DFADHM CC(C)(C)[C@@H](NCc1cc(O)ccc1Br)C(=O)[O-] ZINC000833424485 605750442 /nfs/dbraw/zinc/75/04/42/605750442.db2.gz JFZWBMWNFZGZTB-NSHDSACASA-N -1 3 316.195 2.744 20 0 DFADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000830308838 605767540 /nfs/dbraw/zinc/76/75/40/605767540.db2.gz PGKXXLDBRBRGOA-CQSZACIVSA-N -1 3 321.421 2.677 20 0 DFADHM O=C([O-])N1CC[C@H](N(C[C@H](O)c2cccc(Cl)c2)C2CC2)C1 ZINC000834082077 605776148 /nfs/dbraw/zinc/77/61/48/605776148.db2.gz IFXDRSBZHMBCKE-GJZGRUSLSA-N -1 3 324.808 2.590 20 0 DFADHM Cc1cccnc1CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000833911452 605805771 /nfs/dbraw/zinc/80/57/71/605805771.db2.gz VRLRNXYXAMQKRK-HOTGVXAUSA-N -1 3 303.406 2.887 20 0 DFADHM CC(C)CN1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000833489310 605829794 /nfs/dbraw/zinc/82/97/94/605829794.db2.gz ZRJZJKRTDMIEON-UHFFFAOYSA-N -1 3 310.825 2.812 20 0 DFADHM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CCOc1ccccc1Cl ZINC000833829935 605886889 /nfs/dbraw/zinc/88/68/89/605886889.db2.gz HXHOQPAEMSYTJH-VXGBXAGGSA-N -1 3 312.797 2.697 20 0 DFADHM O=C([O-])NC[C@H](NCCn1ccnc1)c1ccc2ccccc2c1 ZINC000834207747 605974682 /nfs/dbraw/zinc/97/46/82/605974682.db2.gz RAOYAIMIRBOTGD-KRWDZBQOSA-N -1 3 324.384 2.635 20 0 DFADHM Cc1ccc(C2=CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000822232182 606029047 /nfs/dbraw/zinc/02/90/47/606029047.db2.gz WBERKQODQADZSI-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM Cc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000822232182 606029050 /nfs/dbraw/zinc/02/90/50/606029050.db2.gz WBERKQODQADZSI-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM CC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1OC ZINC000820927099 606042559 /nfs/dbraw/zinc/04/25/59/606042559.db2.gz YZNRQFSCMOLJSS-ZDUSSCGKSA-N -1 3 310.361 2.834 20 0 DFADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1OC ZINC000820927099 606042564 /nfs/dbraw/zinc/04/25/64/606042564.db2.gz YZNRQFSCMOLJSS-ZDUSSCGKSA-N -1 3 310.361 2.834 20 0 DFADHM CC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CCOCC1 ZINC000820925718 606042768 /nfs/dbraw/zinc/04/27/68/606042768.db2.gz KXISRQKCIVHYRQ-GFCCVEGCSA-N -1 3 305.357 2.623 20 0 DFADHM CC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CCOCC1 ZINC000820925718 606042774 /nfs/dbraw/zinc/04/27/74/606042774.db2.gz KXISRQKCIVHYRQ-GFCCVEGCSA-N -1 3 305.357 2.623 20 0 DFADHM Cc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cn1 ZINC000822238806 606047084 /nfs/dbraw/zinc/04/70/84/606047084.db2.gz VTPJAMVKAJLCED-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cn1 ZINC000822238806 606047089 /nfs/dbraw/zinc/04/70/89/606047089.db2.gz VTPJAMVKAJLCED-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM CCOc1cccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821427757 606062938 /nfs/dbraw/zinc/06/29/38/606062938.db2.gz ZFAGXMRDECTCRM-LLVKDONJSA-N -1 3 310.361 2.834 20 0 DFADHM CCOc1cccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821427757 606062941 /nfs/dbraw/zinc/06/29/41/606062941.db2.gz ZFAGXMRDECTCRM-LLVKDONJSA-N -1 3 310.361 2.834 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823303316 606069034 /nfs/dbraw/zinc/06/90/34/606069034.db2.gz GHBBKRNYCXOFOE-IWIIMEHWSA-N -1 3 317.780 2.895 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823303316 606069039 /nfs/dbraw/zinc/06/90/39/606069039.db2.gz GHBBKRNYCXOFOE-IWIIMEHWSA-N -1 3 317.780 2.895 20 0 DFADHM c1ccc(SC2(CNc3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000823792214 606085035 /nfs/dbraw/zinc/08/50/35/606085035.db2.gz PVZUMLKQMLBZMK-UHFFFAOYSA-N -1 3 324.413 2.999 20 0 DFADHM c1ccc(SC2(CNc3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000823792214 606085039 /nfs/dbraw/zinc/08/50/39/606085039.db2.gz PVZUMLKQMLBZMK-UHFFFAOYSA-N -1 3 324.413 2.999 20 0 DFADHM CC1(C)[C@@H]2CN(c3nc4ccccc4cc3-c3nnn[n-]3)C[C@@H]21 ZINC000820583921 606090617 /nfs/dbraw/zinc/09/06/17/606090617.db2.gz GSGUBWXMNHPTGM-BETUJISGSA-N -1 3 306.373 2.507 20 0 DFADHM CC1(C)[C@@H]2CN(c3nc4ccccc4cc3-c3nn[n-]n3)C[C@@H]21 ZINC000820583921 606090620 /nfs/dbraw/zinc/09/06/20/606090620.db2.gz GSGUBWXMNHPTGM-BETUJISGSA-N -1 3 306.373 2.507 20 0 DFADHM C[C@@H](c1ccccn1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000820570044 606107010 /nfs/dbraw/zinc/10/70/10/606107010.db2.gz CBJLOMADNLIQRQ-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820396587 606122917 /nfs/dbraw/zinc/12/29/17/606122917.db2.gz HBMPDDZWVHNUFX-STQMWFEESA-N -1 3 321.384 2.789 20 0 DFADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820396587 606122919 /nfs/dbraw/zinc/12/29/19/606122919.db2.gz HBMPDDZWVHNUFX-STQMWFEESA-N -1 3 321.384 2.789 20 0 DFADHM C[C@@H](NC(=O)[C@@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820322750 606147535 /nfs/dbraw/zinc/14/75/35/606147535.db2.gz VEOAZIZOJGMDOT-RISCZKNCSA-N -1 3 311.389 2.624 20 0 DFADHM C[C@@H](NC(=O)[C@@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820322750 606147537 /nfs/dbraw/zinc/14/75/37/606147537.db2.gz VEOAZIZOJGMDOT-RISCZKNCSA-N -1 3 311.389 2.624 20 0 DFADHM CO[C@@H](C)c1nc(COc2ccccc2-c2nnn[n-]2)cs1 ZINC000821675826 606170812 /nfs/dbraw/zinc/17/08/12/606170812.db2.gz UOPYVQNZGUYFLA-VIFPVBQESA-N -1 3 317.374 2.610 20 0 DFADHM CO[C@@H](C)c1nc(COc2ccccc2-c2nn[n-]n2)cs1 ZINC000821675826 606170813 /nfs/dbraw/zinc/17/08/13/606170813.db2.gz UOPYVQNZGUYFLA-VIFPVBQESA-N -1 3 317.374 2.610 20 0 DFADHM Cc1sc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(-c2nnn[n-]2)c1C ZINC000822559246 606183278 /nfs/dbraw/zinc/18/32/78/606183278.db2.gz ZJQPTEOKSAKZLQ-IAZYJMLFSA-N -1 3 317.418 2.920 20 0 DFADHM Cc1sc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(-c2nn[n-]n2)c1C ZINC000822559246 606183279 /nfs/dbraw/zinc/18/32/79/606183279.db2.gz ZJQPTEOKSAKZLQ-IAZYJMLFSA-N -1 3 317.418 2.920 20 0 DFADHM Cc1sc(NC(=O)[C@H]2C[C@@H]2C2CC2)c(-c2nnn[n-]2)c1C ZINC000822557061 606208892 /nfs/dbraw/zinc/20/88/92/606208892.db2.gz GFDZQPXBRRABSN-ZJUUUORDSA-N -1 3 303.391 2.530 20 0 DFADHM Cc1sc(NC(=O)[C@H]2C[C@@H]2C2CC2)c(-c2nn[n-]n2)c1C ZINC000822557061 606208894 /nfs/dbraw/zinc/20/88/94/606208894.db2.gz GFDZQPXBRRABSN-ZJUUUORDSA-N -1 3 303.391 2.530 20 0 DFADHM CCc1cccc(CC)c1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821492173 606209184 /nfs/dbraw/zinc/20/91/84/606209184.db2.gz JHCGZGZSBLVOCW-UHFFFAOYSA-N -1 3 324.388 2.582 20 0 DFADHM CCc1cccc(CC)c1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821492173 606209185 /nfs/dbraw/zinc/20/91/85/606209185.db2.gz JHCGZGZSBLVOCW-UHFFFAOYSA-N -1 3 324.388 2.582 20 0 DFADHM CC(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)c1cccnc1 ZINC000820020821 606229290 /nfs/dbraw/zinc/22/92/90/606229290.db2.gz KNROSYMRJMVLSA-AWEZNQCLSA-N -1 3 309.377 2.508 20 0 DFADHM CC(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)c1cccnc1 ZINC000820020821 606229291 /nfs/dbraw/zinc/22/92/91/606229291.db2.gz KNROSYMRJMVLSA-AWEZNQCLSA-N -1 3 309.377 2.508 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000822226198 606265070 /nfs/dbraw/zinc/26/50/70/606265070.db2.gz HKHNVLTWMQTHLP-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000822226198 606265072 /nfs/dbraw/zinc/26/50/72/606265072.db2.gz HKHNVLTWMQTHLP-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)C(C)C ZINC000821117807 606281437 /nfs/dbraw/zinc/28/14/37/606281437.db2.gz AHUYURWMAPTNIV-LLVKDONJSA-N -1 3 316.409 2.919 20 0 DFADHM COC(=O)[C@H](Nc1cccc(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644852 606297298 /nfs/dbraw/zinc/29/72/98/606297298.db2.gz LBJIDGMXQFMTSA-OAHLLOKOSA-N -1 3 323.356 2.501 20 0 DFADHM COC(=O)[C@H](Nc1cccc(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644852 606297299 /nfs/dbraw/zinc/29/72/99/606297299.db2.gz LBJIDGMXQFMTSA-OAHLLOKOSA-N -1 3 323.356 2.501 20 0 DFADHM O=C(Nc1cccc2ccccc21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823368492 606314333 /nfs/dbraw/zinc/31/43/33/606314333.db2.gz YQPQQCYBHPHNPS-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1cccc2ccccc21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823368492 606314335 /nfs/dbraw/zinc/31/43/35/606314335.db2.gz YQPQQCYBHPHNPS-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(C)C ZINC000820919311 606347319 /nfs/dbraw/zinc/34/73/19/606347319.db2.gz BJMZPTIHQJXAOD-NSHDSACASA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(C)C ZINC000820919311 606347320 /nfs/dbraw/zinc/34/73/20/606347320.db2.gz BJMZPTIHQJXAOD-NSHDSACASA-N -1 3 306.345 2.562 20 0 DFADHM CC1(C)CCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820596949 606349160 /nfs/dbraw/zinc/34/91/60/606349160.db2.gz WMQFKBNGTNBFER-UHFFFAOYSA-N -1 3 318.356 2.660 20 0 DFADHM CC1(C)CCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820596949 606349162 /nfs/dbraw/zinc/34/91/62/606349162.db2.gz WMQFKBNGTNBFER-UHFFFAOYSA-N -1 3 318.356 2.660 20 0 DFADHM C[C@@H](OC(=O)COc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495660 606350752 /nfs/dbraw/zinc/35/07/52/606350752.db2.gz ISWZIOBDWUFUSE-GFCCVEGCSA-N -1 3 324.340 2.550 20 0 DFADHM C[C@@H](OC(=O)COc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495660 606350754 /nfs/dbraw/zinc/35/07/54/606350754.db2.gz ISWZIOBDWUFUSE-GFCCVEGCSA-N -1 3 324.340 2.550 20 0 DFADHM CC(C)C(C)(C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820015828 606354837 /nfs/dbraw/zinc/35/48/37/606354837.db2.gz GTJJPDPNHQFMIU-UHFFFAOYSA-N -1 3 306.345 2.562 20 0 DFADHM CC(C)C(C)(C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820015828 606354839 /nfs/dbraw/zinc/35/48/39/606354839.db2.gz GTJJPDPNHQFMIU-UHFFFAOYSA-N -1 3 306.345 2.562 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1Cc2ccccc2C1 ZINC000823343651 606354941 /nfs/dbraw/zinc/35/49/41/606354941.db2.gz COWXXRIXHYZDFV-UHFFFAOYSA-N -1 3 324.319 2.554 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1Cc2ccccc2C1 ZINC000823343651 606354942 /nfs/dbraw/zinc/35/49/42/606354942.db2.gz COWXXRIXHYZDFV-UHFFFAOYSA-N -1 3 324.319 2.554 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820870402 606355687 /nfs/dbraw/zinc/35/56/87/606355687.db2.gz SDFRPVLYFQXOMY-UWVGGRQHSA-N -1 3 320.372 2.952 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820870402 606355689 /nfs/dbraw/zinc/35/56/89/606355689.db2.gz SDFRPVLYFQXOMY-UWVGGRQHSA-N -1 3 320.372 2.952 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C(C)(C)C1 ZINC000820743005 606358603 /nfs/dbraw/zinc/35/86/03/606358603.db2.gz PBTIPEMNZGQRIE-VIFPVBQESA-N -1 3 318.356 2.658 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C(C)(C)C1 ZINC000820743005 606358605 /nfs/dbraw/zinc/35/86/05/606358605.db2.gz PBTIPEMNZGQRIE-VIFPVBQESA-N -1 3 318.356 2.658 20 0 DFADHM CCCC[C@@H](CCC)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821043167 606366487 /nfs/dbraw/zinc/36/64/87/606366487.db2.gz MIEDVDXLBQIYGS-OAHLLOKOSA-N -1 3 315.421 2.884 20 0 DFADHM CCCC[C@@H](CCC)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821043167 606366488 /nfs/dbraw/zinc/36/64/88/606366488.db2.gz MIEDVDXLBQIYGS-OAHLLOKOSA-N -1 3 315.421 2.884 20 0 DFADHM Cc1nc([C@@H](C)NCc2ccc(-c3nn[n-]n3)s2)cs1 ZINC000822427452 606418357 /nfs/dbraw/zinc/41/83/57/606418357.db2.gz OMTKAYQYIWIWLS-SSDOTTSWSA-N -1 3 306.420 2.544 20 0 DFADHM Cc1nc([C@@H](C)NCc2ccc(-c3nnn[n-]3)s2)cs1 ZINC000822427452 606418355 /nfs/dbraw/zinc/41/83/55/606418355.db2.gz OMTKAYQYIWIWLS-SSDOTTSWSA-N -1 3 306.420 2.544 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H]1C ZINC000822204526 606418590 /nfs/dbraw/zinc/41/85/90/606418590.db2.gz RTHPZADVYYOWQI-JTQLQIEISA-N -1 3 312.352 2.851 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H]1C ZINC000822204526 606418592 /nfs/dbraw/zinc/41/85/92/606418592.db2.gz RTHPZADVYYOWQI-JTQLQIEISA-N -1 3 312.352 2.851 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1C[C@@H](C)[C@H](C)C1 ZINC000822331626 606418890 /nfs/dbraw/zinc/41/88/90/606418890.db2.gz IOMCZYWFQOYEPI-VXGBXAGGSA-N -1 3 308.389 2.816 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1C[C@@H](C)[C@H](C)C1 ZINC000822331626 606418891 /nfs/dbraw/zinc/41/88/91/606418891.db2.gz IOMCZYWFQOYEPI-VXGBXAGGSA-N -1 3 308.389 2.816 20 0 DFADHM Fc1ccccc1C1(NCc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822792525 606422404 /nfs/dbraw/zinc/42/24/04/606422404.db2.gz ZSSIOHNOFTXGBZ-UHFFFAOYSA-N -1 3 315.377 2.846 20 0 DFADHM Fc1cccc(C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000822787325 606426530 /nfs/dbraw/zinc/42/65/30/606426530.db2.gz YIVKZHISSFBBIW-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1cccc(C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000822787325 606426532 /nfs/dbraw/zinc/42/65/32/606426532.db2.gz YIVKZHISSFBBIW-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM CC(C)[C@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000820045594 606426814 /nfs/dbraw/zinc/42/68/14/606426814.db2.gz ODZKWHLUROTGOX-UKRRQHHQSA-N -1 3 301.394 2.730 20 0 DFADHM CC(C)CC(C)(C)CNC(=O)c1sccc1-c1nnn[n-]1 ZINC000820050662 606448847 /nfs/dbraw/zinc/44/88/47/606448847.db2.gz DXLPCVTWNPLOPF-UHFFFAOYSA-N -1 3 307.423 2.730 20 0 DFADHM CC(C)CC(C)(C)CNC(=O)c1sccc1-c1nn[n-]n1 ZINC000820050662 606448849 /nfs/dbraw/zinc/44/88/49/606448849.db2.gz DXLPCVTWNPLOPF-UHFFFAOYSA-N -1 3 307.423 2.730 20 0 DFADHM CCc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821486787 606461666 /nfs/dbraw/zinc/46/16/66/606461666.db2.gz LOLLEUOOEBWVGC-UHFFFAOYSA-N -1 3 300.343 2.710 20 0 DFADHM CCc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821486787 606461667 /nfs/dbraw/zinc/46/16/67/606461667.db2.gz LOLLEUOOEBWVGC-UHFFFAOYSA-N -1 3 300.343 2.710 20 0 DFADHM C[C@H]1CC(OC(=O)c2cc(-c3nnn[n-]3)cs2)C[C@H](C)C1 ZINC000820649100 606466550 /nfs/dbraw/zinc/46/65/50/606466550.db2.gz IMFMXVZYYPWSCY-RKDXNWHRSA-N -1 3 306.391 2.910 20 0 DFADHM C[C@H]1CC(OC(=O)c2cc(-c3nn[n-]n3)cs2)C[C@H](C)C1 ZINC000820649100 606466552 /nfs/dbraw/zinc/46/65/52/606466552.db2.gz IMFMXVZYYPWSCY-RKDXNWHRSA-N -1 3 306.391 2.910 20 0 DFADHM c1ccc2c(c1)CCS[C@@H]2CNc1ncccc1-c1nnn[n-]1 ZINC000823796728 606477865 /nfs/dbraw/zinc/47/78/65/606477865.db2.gz FHNXTPCJIWOMHO-CQSZACIVSA-N -1 3 324.413 2.704 20 0 DFADHM c1ccc2c(c1)CCS[C@@H]2CNc1ncccc1-c1nn[n-]n1 ZINC000823796728 606477867 /nfs/dbraw/zinc/47/78/67/606477867.db2.gz FHNXTPCJIWOMHO-CQSZACIVSA-N -1 3 324.413 2.704 20 0 DFADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1 ZINC000821154175 606483161 /nfs/dbraw/zinc/48/31/61/606483161.db2.gz KSIICSDRIGVZOF-UHFFFAOYSA-N -1 3 317.349 2.734 20 0 DFADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1 ZINC000821154175 606483163 /nfs/dbraw/zinc/48/31/63/606483163.db2.gz KSIICSDRIGVZOF-UHFFFAOYSA-N -1 3 317.349 2.734 20 0 DFADHM O=C(NCCCC1CCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823187219 606489607 /nfs/dbraw/zinc/48/96/07/606489607.db2.gz GNJKFQBMAIGLOB-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM O=C(NCCCC1CCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823187219 606489608 /nfs/dbraw/zinc/48/96/08/606489608.db2.gz GNJKFQBMAIGLOB-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000820921004 606490834 /nfs/dbraw/zinc/49/08/34/606490834.db2.gz USLLUXNMNXPSAQ-LBPRGKRZSA-N -1 3 313.386 2.809 20 0 DFADHM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000820921004 606490836 /nfs/dbraw/zinc/49/08/36/606490836.db2.gz USLLUXNMNXPSAQ-LBPRGKRZSA-N -1 3 313.386 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305.313 2.832 20 0 DFADHM CCc1nnc(CSc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000821517713 606629226 /nfs/dbraw/zinc/62/92/26/606629226.db2.gz NOVOMGLKGWYWSM-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM CCc1nnc(CSc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000821517713 606629228 /nfs/dbraw/zinc/62/92/28/606629228.db2.gz NOVOMGLKGWYWSM-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM O=C(OCc1ccc(F)cc1F)c1sccc1-c1nnn[n-]1 ZINC000823426871 606635339 /nfs/dbraw/zinc/63/53/39/606635339.db2.gz PNJRRGVKPOULBM-UHFFFAOYSA-N -1 3 322.296 2.563 20 0 DFADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820697624 606684294 /nfs/dbraw/zinc/68/42/94/606684294.db2.gz JPSATGUHDNZWQY-DTORHVGOSA-N -1 3 321.331 2.548 20 0 DFADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820697624 606684295 /nfs/dbraw/zinc/68/42/95/606684295.db2.gz JPSATGUHDNZWQY-DTORHVGOSA-N -1 3 321.331 2.548 20 0 DFADHM O=C(Nc1cccc2ccncc21)c1cccc(-c2nnn[n-]2)c1 ZINC000823368059 606692937 /nfs/dbraw/zinc/69/29/37/606692937.db2.gz 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/nfs/dbraw/zinc/72/92/42/606729242.db2.gz MGLRLUBEZWYCGF-SUHUHFCYSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1ccc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)c(-c2nn[n-]n2)c1 ZINC000822578633 606729243 /nfs/dbraw/zinc/72/92/43/606729243.db2.gz MGLRLUBEZWYCGF-SUHUHFCYSA-N -1 3 319.796 2.890 20 0 DFADHM CC/C=C/CCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821000226 606745911 /nfs/dbraw/zinc/74/59/11/606745911.db2.gz BCIWTMLRHVWFHP-ONEGZZNKSA-N -1 3 308.288 2.658 20 0 DFADHM CC/C=C/CCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821000226 606745912 /nfs/dbraw/zinc/74/59/12/606745912.db2.gz BCIWTMLRHVWFHP-ONEGZZNKSA-N -1 3 308.288 2.658 20 0 DFADHM Cc1cccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1F ZINC000822289407 606761590 /nfs/dbraw/zinc/76/15/90/606761590.db2.gz WTWNOWYUXMWDGY-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1F ZINC000822289407 606761592 /nfs/dbraw/zinc/76/15/92/606761592.db2.gz WTWNOWYUXMWDGY-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1nc(C)c(C)c(Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822427194 606788877 /nfs/dbraw/zinc/78/88/77/606788877.db2.gz FAALGHSIGKPPFR-UHFFFAOYSA-N -1 3 316.365 2.872 20 0 DFADHM Cc1nc(C)c(C)c(Sc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822427194 606788879 /nfs/dbraw/zinc/78/88/79/606788879.db2.gz FAALGHSIGKPPFR-UHFFFAOYSA-N -1 3 316.365 2.872 20 0 DFADHM CC[C@H](C)CSCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820869542 606796187 /nfs/dbraw/zinc/79/61/87/606796187.db2.gz HMMSVZOVHRXOOI-QMMMGPOBSA-N -1 3 311.436 2.646 20 0 DFADHM CC[C@H](C)CSCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820869542 606796189 /nfs/dbraw/zinc/79/61/89/606796189.db2.gz HMMSVZOVHRXOOI-QMMMGPOBSA-N -1 3 311.436 2.646 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C(F)=C1CCCC1 ZINC000823426572 606797553 /nfs/dbraw/zinc/79/75/53/606797553.db2.gz KFGHHUSHNOQYHB-UHFFFAOYSA-N -1 3 320.299 2.847 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C(F)=C1CCCC1 ZINC000823426572 606797555 /nfs/dbraw/zinc/79/75/55/606797555.db2.gz KFGHHUSHNOQYHB-UHFFFAOYSA-N -1 3 320.299 2.847 20 0 DFADHM c1ccc2c(c1)nc(NC[C@H]1CCCS1)cc2-c1nnn[n-]1 ZINC000823792539 606800136 /nfs/dbraw/zinc/80/01/36/606800136.db2.gz WVADULHKYSLUON-SNVBAGLBSA-N -1 3 312.402 2.722 20 0 DFADHM c1ccc2c(c1)nc(NC[C@H]1CCCS1)cc2-c1nn[n-]n1 ZINC000823792539 606800137 /nfs/dbraw/zinc/80/01/37/606800137.db2.gz WVADULHKYSLUON-SNVBAGLBSA-N -1 3 312.402 2.722 20 0 DFADHM CCOc1cc(C)ccc1CNc1ncccc1-c1nnn[n-]1 ZINC000821395253 606801110 /nfs/dbraw/zinc/80/11/10/606801110.db2.gz UOIXBUQWMGSRQA-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1cc(C)ccc1CNc1ncccc1-c1nn[n-]n1 ZINC000821395253 606801112 /nfs/dbraw/zinc/80/11/12/606801112.db2.gz UOIXBUQWMGSRQA-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM Clc1ccc(NCCc2ccncc2)c(-c2nnn[n-]2)c1 ZINC000822579146 606822040 /nfs/dbraw/zinc/82/20/40/606822040.db2.gz WKIOMSPKDAZOPK-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1ccc(NCCc2ccncc2)c(-c2nn[n-]n2)c1 ZINC000822579146 606822042 /nfs/dbraw/zinc/82/20/42/606822042.db2.gz WKIOMSPKDAZOPK-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccsc1 ZINC000821613423 606830077 /nfs/dbraw/zinc/83/00/77/606830077.db2.gz MZIAQSGKDXGDKO-UHFFFAOYSA-N -1 3 314.374 2.592 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccsc1 ZINC000821613423 606830078 /nfs/dbraw/zinc/83/00/78/606830078.db2.gz MZIAQSGKDXGDKO-UHFFFAOYSA-N -1 3 314.374 2.592 20 0 DFADHM COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821669318 606830519 /nfs/dbraw/zinc/83/05/19/606830519.db2.gz GHTZIOUAOWUYBL-UHFFFAOYSA-N -1 3 310.313 2.754 20 0 DFADHM COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821669318 606830521 /nfs/dbraw/zinc/83/05/21/606830521.db2.gz GHTZIOUAOWUYBL-UHFFFAOYSA-N -1 3 310.313 2.754 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820978883 606834343 /nfs/dbraw/zinc/83/43/43/606834343.db2.gz DTANUXBJPRRDNJ-NOZJJQNGSA-N -1 3 318.356 2.706 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820978883 606834346 /nfs/dbraw/zinc/83/43/46/606834346.db2.gz DTANUXBJPRRDNJ-NOZJJQNGSA-N -1 3 318.356 2.706 20 0 DFADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C(C)=C(C)C ZINC000821699239 606844103 /nfs/dbraw/zinc/84/41/03/606844103.db2.gz HTISOMHUMPSILA-UHFFFAOYSA-N -1 3 322.752 2.790 20 0 DFADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C(C)=C(C)C ZINC000821699239 606844104 /nfs/dbraw/zinc/84/41/04/606844104.db2.gz HTISOMHUMPSILA-UHFFFAOYSA-N -1 3 322.752 2.790 20 0 DFADHM C[C@@H](SCCn1cccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550106 606847289 /nfs/dbraw/zinc/84/72/89/606847289.db2.gz UPPSIQAEUQLSPX-LLVKDONJSA-N -1 3 300.391 2.558 20 0 DFADHM C[C@@H](SCCn1cccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550106 606847291 /nfs/dbraw/zinc/84/72/91/606847291.db2.gz UPPSIQAEUQLSPX-LLVKDONJSA-N -1 3 300.391 2.558 20 0 DFADHM CCc1noc(C)c1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821554509 606859983 /nfs/dbraw/zinc/85/99/83/606859983.db2.gz NQVQRFFAMDSEON-UHFFFAOYSA-N -1 3 318.768 2.991 20 0 DFADHM CCc1noc(C)c1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821554509 606859984 /nfs/dbraw/zinc/85/99/84/606859984.db2.gz NQVQRFFAMDSEON-UHFFFAOYSA-N -1 3 318.768 2.991 20 0 DFADHM Cc1ccc(N(C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822241086 606887464 /nfs/dbraw/zinc/88/74/64/606887464.db2.gz KOTMAKASACBGEK-QGZVFWFLSA-N -1 3 323.400 2.653 20 0 DFADHM Cc1ccc(N(C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822241086 606887466 /nfs/dbraw/zinc/88/74/66/606887466.db2.gz KOTMAKASACBGEK-QGZVFWFLSA-N -1 3 323.400 2.653 20 0 DFADHM CCc1nnc(NC2CCCCC2)c(-c2nnn[n-]2)c1CC ZINC000821528125 606915840 /nfs/dbraw/zinc/91/58/40/606915840.db2.gz JULHDMITQIBSPD-UHFFFAOYSA-N -1 3 301.398 2.526 20 0 DFADHM CCc1nnc(NC2CCCCC2)c(-c2nn[n-]n2)c1CC ZINC000821528125 606915841 /nfs/dbraw/zinc/91/58/41/606915841.db2.gz JULHDMITQIBSPD-UHFFFAOYSA-N -1 3 301.398 2.526 20 0 DFADHM CCN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C)c1 ZINC000821170246 606921027 /nfs/dbraw/zinc/92/10/27/606921027.db2.gz OPOMQKVGBFGVPD-KRWDZBQOSA-N -1 3 323.400 2.735 20 0 DFADHM CCN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C)c1 ZINC000821170246 606921029 /nfs/dbraw/zinc/92/10/29/606921029.db2.gz OPOMQKVGBFGVPD-KRWDZBQOSA-N -1 3 323.400 2.735 20 0 DFADHM Fc1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1F ZINC000822771120 606930250 /nfs/dbraw/zinc/93/02/50/606930250.db2.gz CCBQJVPFPYRHKD-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1F ZINC000822771120 606930251 /nfs/dbraw/zinc/93/02/51/606930251.db2.gz CCBQJVPFPYRHKD-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CCC(C)(C)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820848141 606947960 /nfs/dbraw/zinc/94/79/60/606947960.db2.gz RFENCVRLZGUWCM-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CCC(C)(C)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820848141 606947961 /nfs/dbraw/zinc/94/79/61/606947961.db2.gz RFENCVRLZGUWCM-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CN(C(=O)[C@H]1C[C@@H]1C1CC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569214 606964788 /nfs/dbraw/zinc/96/47/88/606964788.db2.gz BZJVIEGSPSMAHC-NEPJUHHUSA-N -1 3 317.780 2.529 20 0 DFADHM CN(C(=O)[C@H]1C[C@@H]1C1CC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569214 606964789 /nfs/dbraw/zinc/96/47/89/606964789.db2.gz BZJVIEGSPSMAHC-NEPJUHHUSA-N -1 3 317.780 2.529 20 0 DFADHM CCc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000821476301 606974925 /nfs/dbraw/zinc/97/49/25/606974925.db2.gz LZOHPKVZVIOLLT-UHFFFAOYSA-N -1 3 307.357 2.706 20 0 DFADHM CCc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000821476301 606974927 /nfs/dbraw/zinc/97/49/27/606974927.db2.gz LZOHPKVZVIOLLT-UHFFFAOYSA-N -1 3 307.357 2.706 20 0 DFADHM CC1(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)CCCC1 ZINC000820576978 606991460 /nfs/dbraw/zinc/99/14/60/606991460.db2.gz FOYMGIGVLQFUQZ-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CC1(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC000820576978 606991461 /nfs/dbraw/zinc/99/14/61/606991461.db2.gz FOYMGIGVLQFUQZ-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCC[C@H](C)CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821014066 606998356 /nfs/dbraw/zinc/99/83/56/606998356.db2.gz BLZAFMLNSWODDY-JTQLQIEISA-N -1 3 306.341 2.875 20 0 DFADHM CCC[C@H](C)CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821014066 606998358 /nfs/dbraw/zinc/99/83/58/606998358.db2.gz BLZAFMLNSWODDY-JTQLQIEISA-N -1 3 306.341 2.875 20 0 DFADHM CCC[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)OCC ZINC000821026900 607009906 /nfs/dbraw/zinc/00/99/06/607009906.db2.gz GXZYJHPRKVCURG-GFCCVEGCSA-N -1 3 306.391 2.691 20 0 DFADHM CCC[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)OCC ZINC000821026900 607009908 /nfs/dbraw/zinc/00/99/08/607009908.db2.gz GXZYJHPRKVCURG-GFCCVEGCSA-N -1 3 306.391 2.691 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(COc2cc(F)ccc2F)c1 ZINC000822758548 607028295 /nfs/dbraw/zinc/02/82/95/607028295.db2.gz RDKJWSVJAQRUEU-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(COc2cc(F)ccc2F)c1 ZINC000822758548 607028298 /nfs/dbraw/zinc/02/82/98/607028298.db2.gz RDKJWSVJAQRUEU-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Cc1ccc(NC(=O)COc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000822249003 607030402 /nfs/dbraw/zinc/03/04/02/607030402.db2.gz XVJVHKIKYNLYKY-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1ccc(NC(=O)COc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000822249003 607030404 /nfs/dbraw/zinc/03/04/04/607030404.db2.gz XVJVHKIKYNLYKY-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(CSC[C@H]2CCCCO2)c1 ZINC000822758527 607034125 /nfs/dbraw/zinc/03/41/25/607034125.db2.gz QNZWGMJDKVCTPZ-GFCCVEGCSA-N -1 3 308.382 2.808 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(CSC[C@H]2CCCCO2)c1 ZINC000822758527 607034126 /nfs/dbraw/zinc/03/41/26/607034126.db2.gz QNZWGMJDKVCTPZ-GFCCVEGCSA-N -1 3 308.382 2.808 20 0 DFADHM CC(C)CO[C@@H]1CCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000820096348 607043952 /nfs/dbraw/zinc/04/39/52/607043952.db2.gz AQZVYVUKEBJPJO-LLVKDONJSA-N -1 3 321.812 2.771 20 0 DFADHM CC(C)CO[C@@H]1CCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000820096348 607043953 /nfs/dbraw/zinc/04/39/53/607043953.db2.gz AQZVYVUKEBJPJO-LLVKDONJSA-N -1 3 321.812 2.771 20 0 DFADHM CC=C(C=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)CC ZINC000820825871 607051399 /nfs/dbraw/zinc/05/13/99/607051399.db2.gz GHGFVOQQQCDBGR-WYQLZKLTSA-N -1 3 311.389 2.956 20 0 DFADHM CC=C(C=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)CC ZINC000820825871 607051400 /nfs/dbraw/zinc/05/14/00/607051400.db2.gz GHGFVOQQQCDBGR-WYQLZKLTSA-N -1 3 311.389 2.956 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822928196 607074275 /nfs/dbraw/zinc/07/42/75/607074275.db2.gz DSFXMPZNVBEQEZ-RMKNXTFCSA-N -1 3 324.315 2.762 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822928196 607074277 /nfs/dbraw/zinc/07/42/77/607074277.db2.gz DSFXMPZNVBEQEZ-RMKNXTFCSA-N -1 3 324.315 2.762 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000820686094 607090531 /nfs/dbraw/zinc/09/05/31/607090531.db2.gz WZOCFDQOSPWJCX-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC000820686094 607090533 /nfs/dbraw/zinc/09/05/33/607090533.db2.gz WZOCFDQOSPWJCX-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000820686092 607090541 /nfs/dbraw/zinc/09/05/41/607090541.db2.gz WZOCFDQOSPWJCX-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC000820686092 607090542 /nfs/dbraw/zinc/09/05/42/607090542.db2.gz WZOCFDQOSPWJCX-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM CCC[C@@H](CC)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821016523 607092543 /nfs/dbraw/zinc/09/25/43/607092543.db2.gz XCRUJHKZLUMUPD-DGCLKSJQSA-N -1 3 318.377 2.756 20 0 DFADHM CCC(=CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)CC ZINC000820833164 607092630 /nfs/dbraw/zinc/09/26/30/607092630.db2.gz SLPAIDLZWDDACO-UHFFFAOYSA-N -1 3 316.361 2.535 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1CC12CCC2 ZINC000823332242 607113614 /nfs/dbraw/zinc/11/36/14/607113614.db2.gz MBEIIRLWJPPSEZ-SNVBAGLBSA-N -1 3 303.753 2.649 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1CC12CCC2 ZINC000823332242 607113616 /nfs/dbraw/zinc/11/36/16/607113616.db2.gz MBEIIRLWJPPSEZ-SNVBAGLBSA-N -1 3 303.753 2.649 20 0 DFADHM CCCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821033993 607114093 /nfs/dbraw/zinc/11/40/93/607114093.db2.gz HEOFXQYDMXIQHN-UHFFFAOYSA-N -1 3 300.366 2.569 20 0 DFADHM CCCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821033993 607114094 /nfs/dbraw/zinc/11/40/94/607114094.db2.gz HEOFXQYDMXIQHN-UHFFFAOYSA-N -1 3 300.366 2.569 20 0 DFADHM c1cc(N[C@@H]2CCOC3(CCCCC3)C2)ncc1-c1nnn[n-]1 ZINC000823756590 607131885 /nfs/dbraw/zinc/13/18/85/607131885.db2.gz DDPWJVUGSLPFFC-CYBMUJFWSA-N -1 3 314.393 2.556 20 0 DFADHM c1cc(N[C@@H]2CCOC3(CCCCC3)C2)ncc1-c1nn[n-]n1 ZINC000823756590 607131887 /nfs/dbraw/zinc/13/18/87/607131887.db2.gz DDPWJVUGSLPFFC-CYBMUJFWSA-N -1 3 314.393 2.556 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC2CCC1CC2 ZINC000823308931 607141840 /nfs/dbraw/zinc/14/18/40/607141840.db2.gz MXASKNSKOWKJJU-QIMFLAQGSA-N -1 3 312.377 2.567 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC2CCC1CC2 ZINC000823308931 607141842 /nfs/dbraw/zinc/14/18/42/607141842.db2.gz MXASKNSKOWKJJU-QIMFLAQGSA-N -1 3 312.377 2.567 20 0 DFADHM CCc1cc(C)c(C(=O)OCc2ccccc2-c2nnn[n-]2)o1 ZINC000821470203 607157033 /nfs/dbraw/zinc/15/70/33/607157033.db2.gz NWKKSZPLCMNSAL-UHFFFAOYSA-N -1 3 312.329 2.688 20 0 DFADHM CCc1cc(C)c(C(=O)OCc2ccccc2-c2nn[n-]n2)o1 ZINC000821470203 607157034 /nfs/dbraw/zinc/15/70/34/607157034.db2.gz NWKKSZPLCMNSAL-UHFFFAOYSA-N -1 3 312.329 2.688 20 0 DFADHM Cc1cccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1F ZINC000822284314 607158006 /nfs/dbraw/zinc/15/80/06/607158006.db2.gz OMWAURVQVQOHNZ-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1F ZINC000822284314 607158008 /nfs/dbraw/zinc/15/80/08/607158008.db2.gz OMWAURVQVQOHNZ-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CC(C)CC[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820072108 607163826 /nfs/dbraw/zinc/16/38/26/607163826.db2.gz BPJFXLJBAHGSCT-LBPRGKRZSA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)CC[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820072108 607163828 /nfs/dbraw/zinc/16/38/28/607163828.db2.gz BPJFXLJBAHGSCT-LBPRGKRZSA-N -1 3 319.434 2.969 20 0 DFADHM Cc1cccc2c(NCc3ccc(-c4nnn[n-]4)cc3)ncnc12 ZINC000822334944 607173078 /nfs/dbraw/zinc/17/30/78/607173078.db2.gz ICOUVTQOAUTMIN-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cccc2c(NCc3ccc(-c4nn[n-]n4)cc3)ncnc12 ZINC000822334944 607173079 /nfs/dbraw/zinc/17/30/79/607173079.db2.gz ICOUVTQOAUTMIN-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1occc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822554354 607189276 /nfs/dbraw/zinc/18/92/76/607189276.db2.gz YHGQDVOWUREYKV-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM Cc1occc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822554354 607189277 /nfs/dbraw/zinc/18/92/77/607189277.db2.gz YHGQDVOWUREYKV-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000820269988 607199571 /nfs/dbraw/zinc/19/95/71/607199571.db2.gz RJHVEIMTSGTWHB-MRVPVSSYSA-N -1 3 320.784 2.688 20 0 DFADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000820269988 607199572 /nfs/dbraw/zinc/19/95/72/607199572.db2.gz RJHVEIMTSGTWHB-MRVPVSSYSA-N -1 3 320.784 2.688 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2ccccc2Cl)n1 ZINC000822215138 607226795 /nfs/dbraw/zinc/22/67/95/607226795.db2.gz NBSODUDOKGKIMG-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2ccccc2Cl)n1 ZINC000822215138 607226796 /nfs/dbraw/zinc/22/67/96/607226796.db2.gz NBSODUDOKGKIMG-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM CC(=O)c1ccc(F)cc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000819834632 607234877 /nfs/dbraw/zinc/23/48/77/607234877.db2.gz PRVIRQUCKZSAOQ-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccc(F)cc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000819834632 607234878 /nfs/dbraw/zinc/23/48/78/607234878.db2.gz PRVIRQUCKZSAOQ-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)oc1C ZINC000822177231 607235862 /nfs/dbraw/zinc/23/58/62/607235862.db2.gz WKSVMBXUKUUXKT-UHFFFAOYSA-N -1 3 317.736 2.982 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)oc1C ZINC000822177231 607235863 /nfs/dbraw/zinc/23/58/63/607235863.db2.gz WKSVMBXUKUUXKT-UHFFFAOYSA-N -1 3 317.736 2.982 20 0 DFADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC000819884160 607244152 /nfs/dbraw/zinc/24/41/52/607244152.db2.gz SGGRBKQRWHNFHT-SECBINFHSA-N -1 3 304.325 2.738 20 0 DFADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC000819884160 607244153 /nfs/dbraw/zinc/24/41/53/607244153.db2.gz SGGRBKQRWHNFHT-SECBINFHSA-N -1 3 304.325 2.738 20 0 DFADHM O=C(C=Cc1ccsc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822935964 607244805 /nfs/dbraw/zinc/24/48/05/607244805.db2.gz QUZZCVRUXADSPG-RJRFIUFISA-N -1 3 316.317 2.686 20 0 DFADHM O=C(C=Cc1ccsc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822935964 607244806 /nfs/dbraw/zinc/24/48/06/607244806.db2.gz QUZZCVRUXADSPG-RJRFIUFISA-N -1 3 316.317 2.686 20 0 DFADHM Cc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000822227555 607249474 /nfs/dbraw/zinc/24/94/74/607249474.db2.gz MYGQWMQXFLPDCO-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000822227555 607249475 /nfs/dbraw/zinc/24/94/75/607249475.db2.gz MYGQWMQXFLPDCO-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM O=C(CC1CCCCC1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822940735 607249950 /nfs/dbraw/zinc/24/99/50/607249950.db2.gz CFKPBKHGGLQTGX-UHFFFAOYSA-N -1 3 304.325 2.882 20 0 DFADHM O=C(CC1CCCCC1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822940735 607249951 /nfs/dbraw/zinc/24/99/51/607249951.db2.gz CFKPBKHGGLQTGX-UHFFFAOYSA-N -1 3 304.325 2.882 20 0 DFADHM CCS[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000821449754 607250480 /nfs/dbraw/zinc/25/04/80/607250480.db2.gz XGIZRJVCPSZRQA-GFCCVEGCSA-N -1 3 324.381 2.689 20 0 DFADHM CCS[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000821449754 607250481 /nfs/dbraw/zinc/25/04/81/607250481.db2.gz XGIZRJVCPSZRQA-GFCCVEGCSA-N -1 3 324.381 2.689 20 0 DFADHM CCc1cc(C)c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)o1 ZINC000825700346 607786440 /nfs/dbraw/zinc/78/64/40/607786440.db2.gz BXDDBRFQVQFAFF-UHFFFAOYSA-N -1 3 311.345 2.607 20 0 DFADHM CCc1cc(C)c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)o1 ZINC000825700346 607786441 /nfs/dbraw/zinc/78/64/41/607786441.db2.gz BXDDBRFQVQFAFF-UHFFFAOYSA-N -1 3 311.345 2.607 20 0 DFADHM Cc1cccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1F ZINC000826296479 607788478 /nfs/dbraw/zinc/78/84/78/607788478.db2.gz YPEAUFSLQPMKQR-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1F ZINC000826296479 607788479 /nfs/dbraw/zinc/78/84/79/607788479.db2.gz YPEAUFSLQPMKQR-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CN(CCc1nccs1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825949873 607810885 /nfs/dbraw/zinc/81/08/85/607810885.db2.gz CNGVJDKNNAPTGV-UHFFFAOYSA-N -1 3 320.809 2.656 20 0 DFADHM CN(CCc1nccs1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825949873 607810886 /nfs/dbraw/zinc/81/08/86/607810886.db2.gz CNGVJDKNNAPTGV-UHFFFAOYSA-N -1 3 320.809 2.656 20 0 DFADHM CN(Cc1nc2ccccc2s1)c1cnccc1-c1nnn[n-]1 ZINC000825991651 607838790 /nfs/dbraw/zinc/83/87/90/607838790.db2.gz FWTVZOMKJZKIDJ-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CN(Cc1nc2ccccc2s1)c1cnccc1-c1nn[n-]n1 ZINC000825991651 607838791 /nfs/dbraw/zinc/83/87/91/607838791.db2.gz FWTVZOMKJZKIDJ-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CCCOCc1ccccc1CNc1cnccc1-c1nnn[n-]1 ZINC000825338512 607840210 /nfs/dbraw/zinc/84/02/10/607840210.db2.gz BBLJJRPLJFKAPO-UHFFFAOYSA-N -1 3 324.388 2.800 20 0 DFADHM CCCOCc1ccccc1CNc1cnccc1-c1nn[n-]n1 ZINC000825338512 607840211 /nfs/dbraw/zinc/84/02/11/607840211.db2.gz BBLJJRPLJFKAPO-UHFFFAOYSA-N -1 3 324.388 2.800 20 0 DFADHM Cc1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826292281 607869435 /nfs/dbraw/zinc/86/94/35/607869435.db2.gz OQVKSQKGQLEOPO-MRXNPFEDSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826292281 607869436 /nfs/dbraw/zinc/86/94/36/607869436.db2.gz OQVKSQKGQLEOPO-MRXNPFEDSA-N -1 3 310.357 2.596 20 0 DFADHM CCc1ccccc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825728653 607869438 /nfs/dbraw/zinc/86/94/38/607869438.db2.gz USIFWVCMRSHTKL-HNNXBMFYSA-N -1 3 310.357 2.542 20 0 DFADHM CCc1ccccc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825728653 607869439 /nfs/dbraw/zinc/86/94/39/607869439.db2.gz USIFWVCMRSHTKL-HNNXBMFYSA-N -1 3 310.357 2.542 20 0 DFADHM O[C@H](COc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505066 607869717 /nfs/dbraw/zinc/86/97/17/607869717.db2.gz LDHOMGGXYVCOED-CQSZACIVSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@H](COc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505066 607869718 /nfs/dbraw/zinc/86/97/18/607869718.db2.gz LDHOMGGXYVCOED-CQSZACIVSA-N -1 3 316.748 2.633 20 0 DFADHM Cc1cc(C)cc([C@@H](O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826264170 607871065 /nfs/dbraw/zinc/87/10/65/607871065.db2.gz DZFNHZDOVUQCLE-INIZCTEOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cc(C)cc([C@@H](O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826264170 607871066 /nfs/dbraw/zinc/87/10/66/607871066.db2.gz DZFNHZDOVUQCLE-INIZCTEOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccccc1[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1C ZINC000826255248 607875685 /nfs/dbraw/zinc/87/56/85/607875685.db2.gz QFWQACVEBAFXLZ-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM CCN(C(=O)c1ccco1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825386139 607879118 /nfs/dbraw/zinc/87/91/18/607879118.db2.gz YYSCVKIXNXYZIW-UHFFFAOYSA-N -1 3 317.736 2.780 20 0 DFADHM CCN(C(=O)c1ccco1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825386139 607879119 /nfs/dbraw/zinc/87/91/19/607879119.db2.gz YYSCVKIXNXYZIW-UHFFFAOYSA-N -1 3 317.736 2.780 20 0 DFADHM Cc1noc(C)c1CCSc1ccc(-c2nnn[n-]2)cc1F ZINC000826338672 607893306 /nfs/dbraw/zinc/89/33/06/607893306.db2.gz DGBBTJJSQRLBBZ-UHFFFAOYSA-N -1 3 319.365 2.945 20 0 DFADHM Cc1noc(C)c1CCSc1ccc(-c2nn[n-]n2)cc1F ZINC000826338672 607893307 /nfs/dbraw/zinc/89/33/07/607893307.db2.gz DGBBTJJSQRLBBZ-UHFFFAOYSA-N -1 3 319.365 2.945 20 0 DFADHM c1cc(-c2nn[n-]n2)ccc1OCCCSC1CCOCC1 ZINC000826514337 607894341 /nfs/dbraw/zinc/89/43/41/607894341.db2.gz OMZVSONEXZHFRL-UHFFFAOYSA-N -1 3 320.418 2.548 20 0 DFADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCC1 ZINC000824506199 607919574 /nfs/dbraw/zinc/91/95/74/607919574.db2.gz MLLMEVNIBDQFKM-QMMMGPOBSA-N -1 3 320.784 2.830 20 0 DFADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCC1 ZINC000824506199 607919575 /nfs/dbraw/zinc/91/95/75/607919575.db2.gz MLLMEVNIBDQFKM-QMMMGPOBSA-N -1 3 320.784 2.830 20 0 DFADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(F)c1 ZINC000826282115 607948014 /nfs/dbraw/zinc/94/80/14/607948014.db2.gz YQSPTNZGONEMPK-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(F)c1 ZINC000826282115 607948015 /nfs/dbraw/zinc/94/80/15/607948015.db2.gz YQSPTNZGONEMPK-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824906177 607954767 /nfs/dbraw/zinc/95/47/67/607954767.db2.gz AXCGSJIBTCBPOQ-NWDGAFQWSA-N -1 3 311.389 2.582 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824906177 607954768 /nfs/dbraw/zinc/95/47/68/607954768.db2.gz AXCGSJIBTCBPOQ-NWDGAFQWSA-N -1 3 311.389 2.582 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000824716588 607959346 /nfs/dbraw/zinc/95/93/46/607959346.db2.gz YNGIBITZVODRJJ-NNNHXZLVSA-N -1 3 321.340 2.579 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000824716588 607959347 /nfs/dbraw/zinc/95/93/47/607959347.db2.gz YNGIBITZVODRJJ-NNNHXZLVSA-N -1 3 321.340 2.579 20 0 DFADHM CCC[C@@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000825258847 607969381 /nfs/dbraw/zinc/96/93/81/607969381.db2.gz FJOXVHDOXIHUDB-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CCC[C@@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000825258847 607969382 /nfs/dbraw/zinc/96/93/82/607969382.db2.gz FJOXVHDOXIHUDB-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM Cn1c2cc(F)ccc2nc1-c1ccc(-c2nnn[n-]2)cc1F ZINC000826354712 607974369 /nfs/dbraw/zinc/97/43/69/607974369.db2.gz RISGQTSWCJUPFN-UHFFFAOYSA-N -1 3 312.283 2.699 20 0 DFADHM Cn1c2cc(F)ccc2nc1-c1ccc(-c2nn[n-]n2)cc1F ZINC000826354712 607974370 /nfs/dbraw/zinc/97/43/70/607974370.db2.gz RISGQTSWCJUPFN-UHFFFAOYSA-N -1 3 312.283 2.699 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000826371672 607974383 /nfs/dbraw/zinc/97/43/83/607974383.db2.gz POLZSHKYVSZNTJ-UHFFFAOYSA-N -1 3 315.699 2.598 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000826371672 607974384 /nfs/dbraw/zinc/97/43/84/607974384.db2.gz POLZSHKYVSZNTJ-UHFFFAOYSA-N -1 3 315.699 2.598 20 0 DFADHM O=C(C=CC1CCCCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826400207 607998722 /nfs/dbraw/zinc/99/87/22/607998722.db2.gz SBVQKVMVPMECHD-TWGQIWQCSA-N -1 3 313.361 2.647 20 0 DFADHM O=C(/C=C\C1CCCCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826400207 607998723 /nfs/dbraw/zinc/99/87/23/607998723.db2.gz SBVQKVMVPMECHD-TWGQIWQCSA-N -1 3 313.361 2.647 20 0 DFADHM Cc1ncc([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826329419 608058490 /nfs/dbraw/zinc/05/84/90/608058490.db2.gz CHOVNKWHDIDFFI-MRVPVSSYSA-N -1 3 318.381 2.622 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CN(Cc1ccncc1)C1CC1 ZINC000826373490 608079346 /nfs/dbraw/zinc/07/93/46/608079346.db2.gz NYIAHWWWDLDXMH-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM COc1cc(COc2cc(Cl)ccc2-c2nnn[n-]2)ccn1 ZINC000826180025 608095206 /nfs/dbraw/zinc/09/52/06/608095206.db2.gz PGEGSTRLNWNMKR-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COc1cc(COc2cc(Cl)ccc2-c2nn[n-]n2)ccn1 ZINC000826180025 608095207 /nfs/dbraw/zinc/09/52/07/608095207.db2.gz PGEGSTRLNWNMKR-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COc1ccc(Cn2cc(C)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826208312 608110168 /nfs/dbraw/zinc/11/01/68/608110168.db2.gz DNJKSVWAWIKSFF-UHFFFAOYSA-N -1 3 303.753 2.687 20 0 DFADHM COc1ccc(Cn2cc(C)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826208312 608110169 /nfs/dbraw/zinc/11/01/69/608110169.db2.gz DNJKSVWAWIKSFF-UHFFFAOYSA-N -1 3 303.753 2.687 20 0 DFADHM CCC[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825224919 608113847 /nfs/dbraw/zinc/11/38/47/608113847.db2.gz GWJPFDQHVLZXGR-AWEZNQCLSA-N -1 3 301.394 2.555 20 0 DFADHM CCC[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825224919 608113848 /nfs/dbraw/zinc/11/38/48/608113848.db2.gz GWJPFDQHVLZXGR-AWEZNQCLSA-N -1 3 301.394 2.555 20 0 DFADHM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824393608 608123445 /nfs/dbraw/zinc/12/34/45/608123445.db2.gz UCIGVNXRZPBJRK-NOZJJQNGSA-N -1 3 317.324 2.523 20 0 DFADHM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824393608 608123446 /nfs/dbraw/zinc/12/34/46/608123446.db2.gz UCIGVNXRZPBJRK-NOZJJQNGSA-N -1 3 317.324 2.523 20 0 DFADHM CC(C)OCCCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824309900 608141739 /nfs/dbraw/zinc/14/17/39/608141739.db2.gz ZMFYYNYXXKRWJM-LBPRGKRZSA-N -1 3 318.377 2.676 20 0 DFADHM CC(C)OCCCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824309900 608141740 /nfs/dbraw/zinc/14/17/40/608141740.db2.gz ZMFYYNYXXKRWJM-LBPRGKRZSA-N -1 3 318.377 2.676 20 0 DFADHM C[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826231813 608142060 /nfs/dbraw/zinc/14/20/60/608142060.db2.gz AQYPXZPMOLLCQL-GFCCVEGCSA-N -1 3 308.341 2.714 20 0 DFADHM C[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826231813 608142061 /nfs/dbraw/zinc/14/20/61/608142061.db2.gz AQYPXZPMOLLCQL-GFCCVEGCSA-N -1 3 308.341 2.714 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1Cn1cnc(Cl)c1Cl ZINC000826372381 608143756 /nfs/dbraw/zinc/14/37/56/608143756.db2.gz TZDOKRGEMPLJBL-UHFFFAOYSA-N -1 3 313.123 2.557 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1Cn1cnc(Cl)c1Cl ZINC000826372381 608143757 /nfs/dbraw/zinc/14/37/57/608143757.db2.gz TZDOKRGEMPLJBL-UHFFFAOYSA-N -1 3 313.123 2.557 20 0 DFADHM c1cn(-c2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)cn1 ZINC000826516279 608152906 /nfs/dbraw/zinc/15/29/06/608152906.db2.gz DZAXLRLCEMUXQF-UHFFFAOYSA-N -1 3 318.340 2.631 20 0 DFADHM c1cn(-c2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000826516279 608152907 /nfs/dbraw/zinc/15/29/07/608152907.db2.gz DZAXLRLCEMUXQF-UHFFFAOYSA-N -1 3 318.340 2.631 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1nc(C(C)C)ns1 ZINC000826255146 608181152 /nfs/dbraw/zinc/18/11/52/608181152.db2.gz NKMMJAZMERRSHT-UHFFFAOYSA-N -1 3 302.363 2.942 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nc(C(C)C)ns1 ZINC000826255146 608181153 /nfs/dbraw/zinc/18/11/53/608181153.db2.gz NKMMJAZMERRSHT-UHFFFAOYSA-N -1 3 302.363 2.942 20 0 DFADHM CC(C)c1nsc(N2CCc3ccc(-c4nnn[n-]4)cc32)n1 ZINC000824371586 608191860 /nfs/dbraw/zinc/19/18/60/608191860.db2.gz KWMVFNIAMVLCRI-UHFFFAOYSA-N -1 3 313.390 2.536 20 0 DFADHM CC(C)c1nsc(N2CCc3ccc(-c4nn[n-]n4)cc32)n1 ZINC000824371586 608191862 /nfs/dbraw/zinc/19/18/62/608191862.db2.gz KWMVFNIAMVLCRI-UHFFFAOYSA-N -1 3 313.390 2.536 20 0 DFADHM C[C@H]1C[C@H](CNc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824886124 608195935 /nfs/dbraw/zinc/19/59/35/608195935.db2.gz VXJIVRJEIRBZOS-VHSXEESVSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H]1C[C@H](CNc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824886124 608195936 /nfs/dbraw/zinc/19/59/36/608195936.db2.gz VXJIVRJEIRBZOS-VHSXEESVSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC12CCC2 ZINC000824945321 608200203 /nfs/dbraw/zinc/20/02/03/608200203.db2.gz BDASHMHZTHGMJP-JTQLQIEISA-N -1 3 317.418 2.581 20 0 DFADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC12CCC2 ZINC000824945321 608200204 /nfs/dbraw/zinc/20/02/04/608200204.db2.gz BDASHMHZTHGMJP-JTQLQIEISA-N -1 3 317.418 2.581 20 0 DFADHM Cc1occc1CN(C)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826342248 608223414 /nfs/dbraw/zinc/22/34/14/608223414.db2.gz CJTNYPDHVCRVBH-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1occc1CN(C)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826342248 608223417 /nfs/dbraw/zinc/22/34/17/608223417.db2.gz CJTNYPDHVCRVBH-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1ccc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)o1 ZINC000826287370 608223586 /nfs/dbraw/zinc/22/35/86/608223586.db2.gz MFNQKDGYAREANB-UHFFFAOYSA-N -1 3 320.356 2.971 20 0 DFADHM Cc1ccc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)o1 ZINC000826287370 608223587 /nfs/dbraw/zinc/22/35/87/608223587.db2.gz MFNQKDGYAREANB-UHFFFAOYSA-N -1 3 320.356 2.971 20 0 DFADHM CC1(C)[C@@H]2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C[C@@H]21 ZINC000824790995 608229567 /nfs/dbraw/zinc/22/95/67/608229567.db2.gz VAURYEVNKGKYGV-BETUJISGSA-N -1 3 306.373 2.507 20 0 DFADHM CC1(C)[C@@H]2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C[C@@H]21 ZINC000824790995 608229568 /nfs/dbraw/zinc/22/95/68/608229568.db2.gz VAURYEVNKGKYGV-BETUJISGSA-N -1 3 306.373 2.507 20 0 DFADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)C1CCOCC1 ZINC000824657959 608233114 /nfs/dbraw/zinc/23/31/14/608233114.db2.gz SXSBBXBCYUPORU-NSHDSACASA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)C1CCOCC1 ZINC000824657959 608233116 /nfs/dbraw/zinc/23/31/16/608233116.db2.gz SXSBBXBCYUPORU-NSHDSACASA-N -1 3 324.388 2.642 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825194916 608241020 /nfs/dbraw/zinc/24/10/20/608241020.db2.gz SUBXISNATHHUIH-ZWNOBZJWSA-N -1 3 300.366 2.662 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825194916 608241022 /nfs/dbraw/zinc/24/10/22/608241022.db2.gz SUBXISNATHHUIH-ZWNOBZJWSA-N -1 3 300.366 2.662 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccccc1F ZINC000826173430 608260715 /nfs/dbraw/zinc/26/07/15/608260715.db2.gz DCJGEPGHLGWBFJ-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccccc1F ZINC000826173430 608260716 /nfs/dbraw/zinc/26/07/16/608260716.db2.gz DCJGEPGHLGWBFJ-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825192437 608269664 /nfs/dbraw/zinc/26/96/64/608269664.db2.gz GXBSXXSWUQDRGY-PWSUYJOCSA-N -1 3 314.393 2.970 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825192437 608269666 /nfs/dbraw/zinc/26/96/66/608269666.db2.gz GXBSXXSWUQDRGY-PWSUYJOCSA-N -1 3 314.393 2.970 20 0 DFADHM c1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cs1 ZINC000826516746 608275569 /nfs/dbraw/zinc/27/55/69/608275569.db2.gz ZIPXUFFYKDRLTR-UHFFFAOYSA-N -1 3 312.402 2.814 20 0 DFADHM c1cc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cs1 ZINC000826516746 608275570 /nfs/dbraw/zinc/27/55/70/608275570.db2.gz ZIPXUFFYKDRLTR-UHFFFAOYSA-N -1 3 312.402 2.814 20 0 DFADHM Cc1ccc2c(c1)[C@H](Nc1nc(C)ccc1-c1nnn[n-]1)CC2 ZINC000826294548 608285214 /nfs/dbraw/zinc/28/52/14/608285214.db2.gz UUZTWKWKRNQTAL-OAHLLOKOSA-N -1 3 306.373 2.978 20 0 DFADHM Cc1ccc2c(c1)[C@H](Nc1nc(C)ccc1-c1nn[n-]n1)CC2 ZINC000826294548 608285217 /nfs/dbraw/zinc/28/52/17/608285217.db2.gz UUZTWKWKRNQTAL-OAHLLOKOSA-N -1 3 306.373 2.978 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)s1 ZINC000826275131 608289730 /nfs/dbraw/zinc/28/97/30/608289730.db2.gz PVXNIQTXIQSVNB-JTQLQIEISA-N -1 3 314.418 2.983 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)s1 ZINC000826275131 608289732 /nfs/dbraw/zinc/28/97/32/608289732.db2.gz PVXNIQTXIQSVNB-JTQLQIEISA-N -1 3 314.418 2.983 20 0 DFADHM c1cc(N2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC000826517041 608296970 /nfs/dbraw/zinc/29/69/70/608296970.db2.gz NFEXWOJQUBBTGY-UONOGXRCSA-N -1 3 313.405 2.510 20 0 DFADHM CCC(CC)[C@@H](CCNc1nc(C)ccc1-c1nnn[n-]1)OC ZINC000825097333 608299308 /nfs/dbraw/zinc/29/93/08/608299308.db2.gz VUFCJTRZMPFXQW-CQSZACIVSA-N -1 3 318.425 2.823 20 0 DFADHM CCC(CC)[C@@H](CCNc1nc(C)ccc1-c1nn[n-]n1)OC ZINC000825097333 608299310 /nfs/dbraw/zinc/29/93/10/608299310.db2.gz VUFCJTRZMPFXQW-CQSZACIVSA-N -1 3 318.425 2.823 20 0 DFADHM CS[C@@H](C)CCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826226009 608301091 /nfs/dbraw/zinc/30/10/91/608301091.db2.gz QALHZZHBKIGYDQ-QWRGUYRKSA-N -1 3 319.434 2.576 20 0 DFADHM CS[C@@H](C)CCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826226009 608301093 /nfs/dbraw/zinc/30/10/93/608301093.db2.gz QALHZZHBKIGYDQ-QWRGUYRKSA-N -1 3 319.434 2.576 20 0 DFADHM CS[C@H](C)CCC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826225846 608301120 /nfs/dbraw/zinc/30/11/20/608301120.db2.gz MDMYJBCMSOIMEB-SNVBAGLBSA-N -1 3 305.407 2.645 20 0 DFADHM CS[C@H](C)CCC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826225846 608301122 /nfs/dbraw/zinc/30/11/22/608301122.db2.gz MDMYJBCMSOIMEB-SNVBAGLBSA-N -1 3 305.407 2.645 20 0 DFADHM CS[C@@H](C)CCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826226010 608301343 /nfs/dbraw/zinc/30/13/43/608301343.db2.gz QALHZZHBKIGYDQ-WDEREUQCSA-N -1 3 319.434 2.576 20 0 DFADHM CS[C@@H](C)CCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826226010 608301345 /nfs/dbraw/zinc/30/13/45/608301345.db2.gz QALHZZHBKIGYDQ-WDEREUQCSA-N -1 3 319.434 2.576 20 0 DFADHM C[C@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)CC[C@@H]1C ZINC000824961855 608303082 /nfs/dbraw/zinc/30/30/82/608303082.db2.gz KBOMXULEJZLRID-RYUDHWBXSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)CC[C@@H]1C ZINC000824961855 608303084 /nfs/dbraw/zinc/30/30/84/608303084.db2.gz KBOMXULEJZLRID-RYUDHWBXSA-N -1 3 308.389 2.897 20 0 DFADHM CS[C@@H](C)CCC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826226048 608333298 /nfs/dbraw/zinc/33/32/98/608333298.db2.gz QYEONJJQBBPCGJ-NSHDSACASA-N -1 3 320.418 2.750 20 0 DFADHM CS[C@@H](C)CCC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826226048 608333299 /nfs/dbraw/zinc/33/32/99/608333299.db2.gz QYEONJJQBBPCGJ-NSHDSACASA-N -1 3 320.418 2.750 20 0 DFADHM CCN(C(=O)C=C(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367064 608344684 /nfs/dbraw/zinc/34/46/84/608344684.db2.gz IRYNFNGBRIKPLO-UHFFFAOYSA-N -1 3 305.769 2.839 20 0 DFADHM CCN(C(=O)C=C(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367064 608344685 /nfs/dbraw/zinc/34/46/85/608344685.db2.gz IRYNFNGBRIKPLO-UHFFFAOYSA-N -1 3 305.769 2.839 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)c1ccc(F)cc1 ZINC000826168427 608355110 /nfs/dbraw/zinc/35/51/10/608355110.db2.gz MLPGSAKSJVIHLT-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)c1ccc(F)cc1 ZINC000826168427 608355113 /nfs/dbraw/zinc/35/51/13/608355113.db2.gz MLPGSAKSJVIHLT-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM C[C@@H](c1ccccn1)N(C)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824770363 608375768 /nfs/dbraw/zinc/37/57/68/608375768.db2.gz JMVYUDUIRLBMOS-VIFPVBQESA-N -1 3 316.315 2.737 20 0 DFADHM C[C@@H](c1ccccn1)N(C)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824770363 608375770 /nfs/dbraw/zinc/37/57/70/608375770.db2.gz JMVYUDUIRLBMOS-VIFPVBQESA-N -1 3 316.315 2.737 20 0 DFADHM Oc1cccc2c1CC[C@@H]2Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826511444 608381760 /nfs/dbraw/zinc/38/17/60/608381760.db2.gz QPFFQOQTPHNBJA-ZDUSSCGKSA-N -1 3 311.320 2.811 20 0 DFADHM Oc1cccc2c1CC[C@@H]2Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826511444 608381762 /nfs/dbraw/zinc/38/17/62/608381762.db2.gz QPFFQOQTPHNBJA-ZDUSSCGKSA-N -1 3 311.320 2.811 20 0 DFADHM CCc1ncnc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1F ZINC000825755332 608396540 /nfs/dbraw/zinc/39/65/40/608396540.db2.gz UFMRKSXBSWEHBQ-VIFPVBQESA-N -1 3 313.340 2.531 20 0 DFADHM CCc1ncnc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000825755332 608396541 /nfs/dbraw/zinc/39/65/41/608396541.db2.gz UFMRKSXBSWEHBQ-VIFPVBQESA-N -1 3 313.340 2.531 20 0 DFADHM Cc1nc(CCSc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826325658 608402209 /nfs/dbraw/zinc/40/22/09/608402209.db2.gz HEKHGQGQOSQSLD-UHFFFAOYSA-N -1 3 303.416 2.966 20 0 DFADHM Cc1nc(CCSc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826325658 608402211 /nfs/dbraw/zinc/40/22/11/608402211.db2.gz HEKHGQGQOSQSLD-UHFFFAOYSA-N -1 3 303.416 2.966 20 0 DFADHM Fc1c(CSC[C@@H]2CCCCO2)cccc1-c1nnn[n-]1 ZINC000826370662 608404553 /nfs/dbraw/zinc/40/45/53/608404553.db2.gz CSEWZROGCFPKBJ-NSHDSACASA-N -1 3 308.382 2.808 20 0 DFADHM Fc1c(CSC[C@@H]2CCCCO2)cccc1-c1nn[n-]n1 ZINC000826370662 608404556 /nfs/dbraw/zinc/40/45/56/608404556.db2.gz CSEWZROGCFPKBJ-NSHDSACASA-N -1 3 308.382 2.808 20 0 DFADHM Cc1ccnc(CSCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000826308887 608406714 /nfs/dbraw/zinc/40/67/14/608406714.db2.gz UKGALIWKQCTLFI-UHFFFAOYSA-N -1 3 316.365 2.538 20 0 DFADHM Cc1ccnc(CSCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826308887 608406716 /nfs/dbraw/zinc/40/67/16/608406716.db2.gz UKGALIWKQCTLFI-UHFFFAOYSA-N -1 3 316.365 2.538 20 0 DFADHM C[C@@H]1C[C@@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000824892544 608444906 /nfs/dbraw/zinc/44/49/06/608444906.db2.gz KCURRWVCQQBUSM-DIYOJNKTSA-N -1 3 309.320 2.513 20 0 DFADHM C[C@@H]1C[C@@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000824892544 608444907 /nfs/dbraw/zinc/44/49/07/608444907.db2.gz KCURRWVCQQBUSM-DIYOJNKTSA-N -1 3 309.320 2.513 20 0 DFADHM CC1(C)C[C@H]1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824796143 608480059 /nfs/dbraw/zinc/48/00/59/608480059.db2.gz MEKLRIMDVZACPN-HNNXBMFYSA-N -1 3 323.400 2.529 20 0 DFADHM CC1(C)C[C@H]1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824796143 608480060 /nfs/dbraw/zinc/48/00/60/608480060.db2.gz MEKLRIMDVZACPN-HNNXBMFYSA-N -1 3 323.400 2.529 20 0 DFADHM C[C@@H](NCc1ncc(C2CC2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000824635210 608482235 /nfs/dbraw/zinc/48/22/35/608482235.db2.gz ZRAPQFULNNMBLN-SNVBAGLBSA-N -1 3 310.361 2.583 20 0 DFADHM C[C@@H](NCc1ncc(C2CC2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824635210 608482236 /nfs/dbraw/zinc/48/22/36/608482236.db2.gz ZRAPQFULNNMBLN-SNVBAGLBSA-N -1 3 310.361 2.583 20 0 DFADHM O=C(CC1CCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826403874 608485543 /nfs/dbraw/zinc/48/55/43/608485543.db2.gz GPVQYMLSAPQIKX-UHFFFAOYSA-N -1 3 323.400 2.673 20 0 DFADHM O=C(CC1CCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826403874 608485544 /nfs/dbraw/zinc/48/55/44/608485544.db2.gz GPVQYMLSAPQIKX-UHFFFAOYSA-N -1 3 323.400 2.673 20 0 DFADHM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cscn1 ZINC000824531988 608492392 /nfs/dbraw/zinc/49/23/92/608492392.db2.gz SDKZXULPVPBVDP-VHSXEESVSA-N -1 3 300.391 2.735 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)nc1NCCc1ccc(Cl)cc1 ZINC000826280926 608541570 /nfs/dbraw/zinc/54/15/70/608541570.db2.gz WNPYAGHYUNIMHU-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM C[C@H]1Cc2ccccc2N1Cc1cccc(-c2nnn[n-]2)c1F ZINC000825012366 608643574 /nfs/dbraw/zinc/64/35/74/608643574.db2.gz HWUQVWAYCXNNTG-NSHDSACASA-N -1 3 309.348 2.957 20 0 DFADHM C[C@H]1Cc2ccccc2N1Cc1cccc(-c2nn[n-]n2)c1F ZINC000825012366 608643576 /nfs/dbraw/zinc/64/35/76/608643576.db2.gz HWUQVWAYCXNNTG-NSHDSACASA-N -1 3 309.348 2.957 20 0 DFADHM Fc1c(CSC(=S)N2CCCC2)cccc1-c1nnn[n-]1 ZINC000826370951 608669629 /nfs/dbraw/zinc/66/96/29/608669629.db2.gz MTMYQXCZKMZNAU-UHFFFAOYSA-N -1 3 323.422 2.620 20 0 DFADHM Fc1c(CSC(=S)N2CCCC2)cccc1-c1nn[n-]n1 ZINC000826370951 608669630 /nfs/dbraw/zinc/66/96/30/608669630.db2.gz MTMYQXCZKMZNAU-UHFFFAOYSA-N -1 3 323.422 2.620 20 0 DFADHM CCCOc1ccc(CNc2cnccc2-c2nnn[n-]2)cc1 ZINC000825338815 608774161 /nfs/dbraw/zinc/77/41/61/608774161.db2.gz ICMXUQDRICZLRG-UHFFFAOYSA-N -1 3 310.361 2.663 20 0 DFADHM CCCOc1ccc(CNc2cnccc2-c2nn[n-]n2)cc1 ZINC000825338815 608774163 /nfs/dbraw/zinc/77/41/63/608774163.db2.gz ICMXUQDRICZLRG-UHFFFAOYSA-N -1 3 310.361 2.663 20 0 DFADHM c1ccc2c(c1)C=C(CNc1cccc(-c3nnn[n-]3)c1)CO2 ZINC000823868349 608867790 /nfs/dbraw/zinc/86/77/90/608867790.db2.gz XHQJEHOKTQBYEP-UHFFFAOYSA-N -1 3 305.341 2.755 20 0 DFADHM c1ccc2c(c1)C=C(CNc1cccc(-c3nn[n-]n3)c1)CO2 ZINC000823868349 608867795 /nfs/dbraw/zinc/86/77/95/608867795.db2.gz XHQJEHOKTQBYEP-UHFFFAOYSA-N -1 3 305.341 2.755 20 0 DFADHM Cc1nc(CN[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cs1 ZINC000826326409 609135846 /nfs/dbraw/zinc/13/58/46/609135846.db2.gz OKOICHQJZFOQPE-MRVPVSSYSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1nc(CN[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cs1 ZINC000826326409 609135845 /nfs/dbraw/zinc/13/58/45/609135845.db2.gz OKOICHQJZFOQPE-MRVPVSSYSA-N -1 3 318.381 2.622 20 0 DFADHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H](c2ccco2)C1 ZINC000824962940 609164513 /nfs/dbraw/zinc/16/45/13/609164513.db2.gz YGVRLVRZFDIQKH-SMDDNHRTSA-N -1 3 310.361 2.832 20 0 DFADHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H](c2ccco2)C1 ZINC000824962940 609164514 /nfs/dbraw/zinc/16/45/14/609164514.db2.gz YGVRLVRZFDIQKH-SMDDNHRTSA-N -1 3 310.361 2.832 20 0 DFADHM c1ccc(CSCCOc2ccccc2-c2nnn[n-]2)nc1 ZINC000826522206 609184681 /nfs/dbraw/zinc/18/46/81/609184681.db2.gz QQVSAPWDSHLRPR-UHFFFAOYSA-N -1 3 313.386 2.574 20 0 DFADHM c1ccc(CSCCOc2ccccc2-c2nn[n-]n2)nc1 ZINC000826522206 609184682 /nfs/dbraw/zinc/18/46/82/609184682.db2.gz QQVSAPWDSHLRPR-UHFFFAOYSA-N -1 3 313.386 2.574 20 0 DFADHM COc1cccc(CSCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826216824 609185382 /nfs/dbraw/zinc/18/53/82/609185382.db2.gz PBWPTHWCNYKUQL-UHFFFAOYSA-N -1 3 313.386 2.704 20 0 DFADHM COc1cccc(CSCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826216824 609185384 /nfs/dbraw/zinc/18/53/84/609185384.db2.gz PBWPTHWCNYKUQL-UHFFFAOYSA-N -1 3 313.386 2.704 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1ccccn1 ZINC000826373232 609186031 /nfs/dbraw/zinc/18/60/31/609186031.db2.gz FNCZMMBHTFNEQY-UHFFFAOYSA-N -1 3 301.350 2.834 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1ccccn1 ZINC000826373232 609186033 /nfs/dbraw/zinc/18/60/33/609186033.db2.gz FNCZMMBHTFNEQY-UHFFFAOYSA-N -1 3 301.350 2.834 20 0 DFADHM CC(C)c1ccc([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824347819 609188484 /nfs/dbraw/zinc/18/84/84/609188484.db2.gz OSDSMSOVRGZAJF-LLVKDONJSA-N -1 3 324.388 2.809 20 0 DFADHM CC(C)c1ccc([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824347819 609188486 /nfs/dbraw/zinc/18/84/86/609188486.db2.gz OSDSMSOVRGZAJF-LLVKDONJSA-N -1 3 324.388 2.809 20 0 DFADHM CC(C)(C)[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824071974 609197262 /nfs/dbraw/zinc/19/72/62/609197262.db2.gz PHVIIIHUQIFODX-CQSZACIVSA-N -1 3 324.388 2.712 20 0 DFADHM CC(C)(C)[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824071974 609197264 /nfs/dbraw/zinc/19/72/64/609197264.db2.gz PHVIIIHUQIFODX-CQSZACIVSA-N -1 3 324.388 2.712 20 0 DFADHM CCCC[C@@H](CCC)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825259740 609224117 /nfs/dbraw/zinc/22/41/17/609224117.db2.gz KSOUNHXMRSMQHM-LLVKDONJSA-N -1 3 304.398 2.531 20 0 DFADHM CCCC[C@@H](CCC)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825259740 609224118 /nfs/dbraw/zinc/22/41/18/609224118.db2.gz KSOUNHXMRSMQHM-LLVKDONJSA-N -1 3 304.398 2.531 20 0 DFADHM CCn1cc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC000825799829 609252871 /nfs/dbraw/zinc/25/28/71/609252871.db2.gz SIJMSAMUEHDVHB-HNNXBMFYSA-N -1 3 309.377 2.573 20 0 DFADHM CCn1cc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC000825799829 609252872 /nfs/dbraw/zinc/25/28/72/609252872.db2.gz SIJMSAMUEHDVHB-HNNXBMFYSA-N -1 3 309.377 2.573 20 0 DFADHM C[C@H](Nc1ccc2c(c1)ncn2C)c1cccc(-c2nn[n-]n2)c1 ZINC000824658647 609279376 /nfs/dbraw/zinc/27/93/76/609279376.db2.gz ZEXVEAPYOZGEKA-NSHDSACASA-N -1 3 319.372 2.927 20 0 DFADHM CCC[C@H](C)N(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825233842 609288606 /nfs/dbraw/zinc/28/86/06/609288606.db2.gz SOIRCMJVYMKPSX-VIFPVBQESA-N -1 3 307.785 2.781 20 0 DFADHM CCC[C@H](C)N(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825233842 609288607 /nfs/dbraw/zinc/28/86/07/609288607.db2.gz SOIRCMJVYMKPSX-VIFPVBQESA-N -1 3 307.785 2.781 20 0 DFADHM CN(CC1CCCC1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825908886 609290501 /nfs/dbraw/zinc/29/05/01/609290501.db2.gz NWEUSODNTWAXHU-UHFFFAOYSA-N -1 3 319.796 2.782 20 0 DFADHM CN(CC1CCCC1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825908886 609290503 /nfs/dbraw/zinc/29/05/03/609290503.db2.gz NWEUSODNTWAXHU-UHFFFAOYSA-N -1 3 319.796 2.782 20 0 DFADHM c1cc(-c2nnn[n-]2)cc(SCc2ccc3c(c2)COC3)n1 ZINC000826513210 609310516 /nfs/dbraw/zinc/31/05/16/609310516.db2.gz DMJYUPNMNTVIAQ-UHFFFAOYSA-N -1 3 311.370 2.584 20 0 DFADHM c1cc(-c2nn[n-]n2)cc(SCc2ccc3c(c2)COC3)n1 ZINC000826513210 609310518 /nfs/dbraw/zinc/31/05/18/609310518.db2.gz DMJYUPNMNTVIAQ-UHFFFAOYSA-N -1 3 311.370 2.584 20 0 DFADHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@H]1F ZINC000824961429 609318928 /nfs/dbraw/zinc/31/89/28/609318928.db2.gz CNXVTHKUHMTDHF-ZWNOBZJWSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@H]1F ZINC000824961429 609318930 /nfs/dbraw/zinc/31/89/30/609318930.db2.gz CNXVTHKUHMTDHF-ZWNOBZJWSA-N -1 3 312.352 2.599 20 0 DFADHM Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826333456 609350271 /nfs/dbraw/zinc/35/02/71/609350271.db2.gz IKSFTPPJHBCMBM-QMMMGPOBSA-N -1 3 315.356 2.529 20 0 DFADHM Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826333456 609350272 /nfs/dbraw/zinc/35/02/72/609350272.db2.gz IKSFTPPJHBCMBM-QMMMGPOBSA-N -1 3 315.356 2.529 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cn1 ZINC000825962245 609356293 /nfs/dbraw/zinc/35/62/93/609356293.db2.gz VAQBFHICMIDPOR-UHFFFAOYSA-N -1 3 314.780 2.547 20 0 DFADHM COC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000826116803 609376753 /nfs/dbraw/zinc/37/67/53/609376753.db2.gz DRNXXHMIMDCWRH-NSHDSACASA-N -1 3 324.793 2.564 20 0 DFADHM COC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000826116803 609376755 /nfs/dbraw/zinc/37/67/55/609376755.db2.gz DRNXXHMIMDCWRH-NSHDSACASA-N -1 3 324.793 2.564 20 0 DFADHM O=C(Nc1ccc(Cl)cc1Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826453555 609407273 /nfs/dbraw/zinc/40/72/73/609407273.db2.gz OWYQUHPUMKGERQ-UHFFFAOYSA-N -1 3 323.143 2.754 20 0 DFADHM O=C(Nc1ccc(Cl)cc1Cl)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826453555 609407278 /nfs/dbraw/zinc/40/72/78/609407278.db2.gz OWYQUHPUMKGERQ-UHFFFAOYSA-N -1 3 323.143 2.754 20 0 DFADHM CC(C)Oc1ncccc1OCc1ccccc1-c1nnn[n-]1 ZINC000824338259 609424670 /nfs/dbraw/zinc/42/46/70/609424670.db2.gz VKDQLLXJRJYMBI-UHFFFAOYSA-N -1 3 311.345 2.628 20 0 DFADHM CC(C)Oc1ncccc1OCc1ccccc1-c1nn[n-]n1 ZINC000824338259 609424672 /nfs/dbraw/zinc/42/46/72/609424672.db2.gz VKDQLLXJRJYMBI-UHFFFAOYSA-N -1 3 311.345 2.628 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NCCc1cccs1 ZINC000825626633 609437155 /nfs/dbraw/zinc/43/71/55/609437155.db2.gz NOAIGHUUNVIIFG-UHFFFAOYSA-N -1 3 315.402 2.982 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NCCc1cccs1 ZINC000825626633 609437156 /nfs/dbraw/zinc/43/71/56/609437156.db2.gz NOAIGHUUNVIIFG-UHFFFAOYSA-N -1 3 315.402 2.982 20 0 DFADHM OCc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826510491 609440733 /nfs/dbraw/zinc/44/07/33/609440733.db2.gz UUUNALMHSHKPRK-UHFFFAOYSA-N -1 3 315.764 2.625 20 0 DFADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(C(C)(C)C)cc1 ZINC000825825625 609444065 /nfs/dbraw/zinc/44/40/65/609444065.db2.gz GDUJTFFZENJGOG-UHFFFAOYSA-N -1 3 324.388 2.769 20 0 DFADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(C(C)(C)C)cc1 ZINC000825825625 609444066 /nfs/dbraw/zinc/44/40/66/609444066.db2.gz GDUJTFFZENJGOG-UHFFFAOYSA-N -1 3 324.388 2.769 20 0 DFADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826231198 609479242 /nfs/dbraw/zinc/47/92/42/609479242.db2.gz BKLBRNFTVCDHFM-CYBMUJFWSA-N -1 3 321.384 2.629 20 0 DFADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826231198 609479243 /nfs/dbraw/zinc/47/92/43/609479243.db2.gz BKLBRNFTVCDHFM-CYBMUJFWSA-N -1 3 321.384 2.629 20 0 DFADHM COc1ccsc1CNc1cc(-c2nnn[n-]2)ccc1C ZINC000826221403 609479801 /nfs/dbraw/zinc/47/98/01/609479801.db2.gz DAEIEJOOXQYXJJ-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM COc1ccsc1CNc1cc(-c2nn[n-]n2)ccc1C ZINC000826221403 609479804 /nfs/dbraw/zinc/47/98/04/609479804.db2.gz DAEIEJOOXQYXJJ-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM Fc1cccc(CCOc2ccccc2-c2nnn[n-]2)c1F ZINC000826376710 609482789 /nfs/dbraw/zinc/48/27/89/609482789.db2.gz OPQGSOBCJBGQDZ-UHFFFAOYSA-N -1 3 302.284 2.766 20 0 DFADHM Fc1cccc(CCOc2ccccc2-c2nn[n-]n2)c1F ZINC000826376710 609482791 /nfs/dbraw/zinc/48/27/91/609482791.db2.gz OPQGSOBCJBGQDZ-UHFFFAOYSA-N -1 3 302.284 2.766 20 0 DFADHM COc1c(O)cccc1CNc1cccc(-c2nnn[n-]2)c1C ZINC000826167302 609484776 /nfs/dbraw/zinc/48/47/76/609484776.db2.gz XVGSGQSTRNWJET-UHFFFAOYSA-N -1 3 311.345 2.501 20 0 DFADHM COc1c(O)cccc1CNc1cccc(-c2nn[n-]n2)c1C ZINC000826167302 609484777 /nfs/dbraw/zinc/48/47/77/609484777.db2.gz XVGSGQSTRNWJET-UHFFFAOYSA-N -1 3 311.345 2.501 20 0 DFADHM Cc1c(NCc2ccc3c[nH]nc3c2)cccc1-c1nn[n-]n1 ZINC000826242638 609487158 /nfs/dbraw/zinc/48/71/58/609487158.db2.gz YSTFYRFJWMZVTK-UHFFFAOYSA-N -1 3 305.345 2.664 20 0 DFADHM CCOc1cccc(CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825648772 609487605 /nfs/dbraw/zinc/48/76/05/609487605.db2.gz BKMFLECLQDBMOX-UHFFFAOYSA-N -1 3 313.386 2.953 20 0 DFADHM CCOc1cccc(CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825648772 609487608 /nfs/dbraw/zinc/48/76/08/609487608.db2.gz BKMFLECLQDBMOX-UHFFFAOYSA-N -1 3 313.386 2.953 20 0 DFADHM C[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824974697 609494545 /nfs/dbraw/zinc/49/45/45/609494545.db2.gz DGGXZHUWGQMLNS-LLVKDONJSA-N -1 3 314.393 2.767 20 0 DFADHM C[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824974697 609494547 /nfs/dbraw/zinc/49/45/47/609494547.db2.gz DGGXZHUWGQMLNS-LLVKDONJSA-N -1 3 314.393 2.767 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCC[C@@H]1C ZINC000825621671 609495526 /nfs/dbraw/zinc/49/55/26/609495526.db2.gz WXQDZXLPEJYAAQ-CMPLNLGQSA-N -1 3 315.377 2.640 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCC[C@@H]1C ZINC000825621671 609495528 /nfs/dbraw/zinc/49/55/28/609495528.db2.gz WXQDZXLPEJYAAQ-CMPLNLGQSA-N -1 3 315.377 2.640 20 0 DFADHM Cc1ccnc(Cl)c1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826308555 609499253 /nfs/dbraw/zinc/49/92/53/609499253.db2.gz FKKYMTJSQDEHEN-UHFFFAOYSA-N -1 3 319.727 2.942 20 0 DFADHM Cc1ccnc(Cl)c1OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826308555 609499255 /nfs/dbraw/zinc/49/92/55/609499255.db2.gz 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/nfs/dbraw/zinc/52/36/45/609523645.db2.gz RJUITQPOKOHEQV-LBPRGKRZSA-N -1 3 308.345 2.506 20 0 DFADHM Cc1ccnc(N(Cc2ccc(F)cc2)C2CC2)c1-c1nnn[n-]1 ZINC000826309679 609524676 /nfs/dbraw/zinc/52/46/76/609524676.db2.gz XURLWYBKRCOZDI-UHFFFAOYSA-N -1 3 324.363 2.878 20 0 DFADHM Cc1ccnc(N(Cc2ccc(F)cc2)C2CC2)c1-c1nn[n-]n1 ZINC000826309679 609524678 /nfs/dbraw/zinc/52/46/78/609524678.db2.gz XURLWYBKRCOZDI-UHFFFAOYSA-N -1 3 324.363 2.878 20 0 DFADHM Cc1ccnc(NCc2ccc(OC(C)C)cc2)c1-c1nnn[n-]1 ZINC000826314464 609531541 /nfs/dbraw/zinc/53/15/41/609531541.db2.gz XZEWDBVAMODRTA-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM Cc1ccnc(NCc2ccc(OC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826314464 609531542 /nfs/dbraw/zinc/53/15/42/609531542.db2.gz XZEWDBVAMODRTA-UHFFFAOYSA-N -1 3 324.388 2.969 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)[C@@H](C)CC ZINC000825621426 609534733 /nfs/dbraw/zinc/53/47/33/609534733.db2.gz SSHZVENRFZMZCI-QWRGUYRKSA-N -1 3 317.393 2.886 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)[C@@H](C)CC ZINC000825621426 609534734 /nfs/dbraw/zinc/53/47/34/609534734.db2.gz SSHZVENRFZMZCI-QWRGUYRKSA-N -1 3 317.393 2.886 20 0 DFADHM Cc1ccnc(N(C)[C@@H](C)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826309632 609537498 /nfs/dbraw/zinc/53/74/98/609537498.db2.gz WHQCMDWOGZXANM-NSHDSACASA-N -1 3 312.352 2.907 20 0 DFADHM Cc1ccnc(N(C)[C@@H](C)c2ccccc2F)c1-c1nn[n-]n1 ZINC000826309632 609537499 /nfs/dbraw/zinc/53/74/99/609537499.db2.gz WHQCMDWOGZXANM-NSHDSACASA-N -1 3 312.352 2.907 20 0 DFADHM Cc1ccc(CN(C)c2nccc(C)c2-c2nnn[n-]2)s1 ZINC000826287976 609546966 /nfs/dbraw/zinc/54/69/66/609546966.db2.gz LPESFABBFROHDO-UHFFFAOYSA-N -1 3 300.391 2.576 20 0 DFADHM Cc1ccc(CN(C)c2nccc(C)c2-c2nn[n-]n2)s1 ZINC000826287976 609546967 /nfs/dbraw/zinc/54/69/67/609546967.db2.gz LPESFABBFROHDO-UHFFFAOYSA-N -1 3 300.391 2.576 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)s1 ZINC000826287109 609557354 /nfs/dbraw/zinc/55/73/54/609557354.db2.gz CSSFYRHSDYSQHT-SNVBAGLBSA-N -1 3 314.418 2.983 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)s1 ZINC000826287109 609557356 /nfs/dbraw/zinc/55/73/56/609557356.db2.gz CSSFYRHSDYSQHT-SNVBAGLBSA-N -1 3 314.418 2.983 20 0 DFADHM Cc1ccnc(N[C@@H]2C[C@@]2(C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311535 609560313 /nfs/dbraw/zinc/56/03/13/609560313.db2.gz HJFNSTMLMSPBSK-DYVFJYSZSA-N -1 3 306.373 2.712 20 0 DFADHM Cc1ccnc(N[C@@H]2C[C@@]2(C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311535 609560316 /nfs/dbraw/zinc/56/03/16/609560316.db2.gz HJFNSTMLMSPBSK-DYVFJYSZSA-N -1 3 306.373 2.712 20 0 DFADHM Cc1ccnc(N[C@H]2C[C@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826313016 609560623 /nfs/dbraw/zinc/56/06/23/609560623.db2.gz UQEYUSCPQLWRBS-KGLIPLIRSA-N -1 3 306.373 2.613 20 0 DFADHM Cc1ccnc(N[C@H]2C[C@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826313016 609560626 /nfs/dbraw/zinc/56/06/26/609560626.db2.gz UQEYUSCPQLWRBS-KGLIPLIRSA-N -1 3 306.373 2.613 20 0 DFADHM CCS[C@@H]1CCC[C@@H]1Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825668940 609567915 /nfs/dbraw/zinc/56/79/15/609567915.db2.gz MMUYSXCEHGMHGG-WDEREUQCSA-N -1 3 304.423 2.656 20 0 DFADHM CCS[C@@H]1CCC[C@@H]1Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825668940 609567917 /nfs/dbraw/zinc/56/79/17/609567917.db2.gz MMUYSXCEHGMHGG-WDEREUQCSA-N -1 3 304.423 2.656 20 0 DFADHM Cc1ccnc(NCCc2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000826314076 609569906 /nfs/dbraw/zinc/56/99/06/609569906.db2.gz FGPQEFMTVIDGTB-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1ccnc(NCCc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826314076 609569908 /nfs/dbraw/zinc/56/99/08/609569908.db2.gz FGPQEFMTVIDGTB-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1c(Cl)cnc(N2CCSC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826238733 609572582 /nfs/dbraw/zinc/57/25/82/609572582.db2.gz NVGOQIGVXJQHQX-UHFFFAOYSA-N -1 3 324.841 2.555 20 0 DFADHM Cc1c(Cl)cnc(N2CCSC(C)(C)C2)c1-c1nn[n-]n1 ZINC000826238733 609572584 /nfs/dbraw/zinc/57/25/84/609572584.db2.gz NVGOQIGVXJQHQX-UHFFFAOYSA-N -1 3 324.841 2.555 20 0 DFADHM Cc1c(Cl)cnc(NC[C@@]2(C)CCCS2)c1-c1nnn[n-]1 ZINC000826239707 609575926 /nfs/dbraw/zinc/57/59/26/609575926.db2.gz ODDDMNPSURGXDB-CYBMUJFWSA-N -1 3 324.841 2.921 20 0 DFADHM Cc1c(Cl)cnc(NC[C@@]2(C)CCCS2)c1-c1nn[n-]n1 ZINC000826239707 609575928 /nfs/dbraw/zinc/57/59/28/609575928.db2.gz ODDDMNPSURGXDB-CYBMUJFWSA-N -1 3 324.841 2.921 20 0 DFADHM C(=C\[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)\c1ccccc1 ZINC000823861303 609577962 /nfs/dbraw/zinc/57/79/62/609577962.db2.gz DBRMWLHWAASEKW-WHLNPGIBSA-N -1 3 318.384 2.944 20 0 DFADHM C(=C\[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)\c1ccccc1 ZINC000823861303 609577964 /nfs/dbraw/zinc/57/79/64/609577964.db2.gz DBRMWLHWAASEKW-WHLNPGIBSA-N -1 3 318.384 2.944 20 0 DFADHM COc1ccccc1CCCOc1ccccc1-c1nnn[n-]1 ZINC000826219385 609583210 /nfs/dbraw/zinc/58/32/10/609583210.db2.gz ABBNZCJBCIYUBW-UHFFFAOYSA-N -1 3 310.357 2.887 20 0 DFADHM COc1ccccc1CCCOc1ccccc1-c1nn[n-]n1 ZINC000826219385 609583211 /nfs/dbraw/zinc/58/32/11/609583211.db2.gz ABBNZCJBCIYUBW-UHFFFAOYSA-N -1 3 310.357 2.887 20 0 DFADHM Cc1c(Cl)cnc(NCC[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826239764 609586771 /nfs/dbraw/zinc/58/67/71/609586771.db2.gz PONOGDSFEBUXSJ-JTQLQIEISA-N -1 3 322.800 2.595 20 0 DFADHM Cc1c(Cl)cnc(NCC[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826239764 609586774 /nfs/dbraw/zinc/58/67/74/609586774.db2.gz PONOGDSFEBUXSJ-JTQLQIEISA-N -1 3 322.800 2.595 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000825051494 609591460 /nfs/dbraw/zinc/59/14/60/609591460.db2.gz QDVPWXKPFIRDET-MDZDMXLPSA-N -1 3 304.325 2.795 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000825051494 609591463 /nfs/dbraw/zinc/59/14/63/609591463.db2.gz QDVPWXKPFIRDET-MDZDMXLPSA-N -1 3 304.325 2.795 20 0 DFADHM CN(C[C@@H]1CC=CCC1)c1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000825908167 609594707 /nfs/dbraw/zinc/59/47/07/609594707.db2.gz FYTAQISEAYIZSB-GFCCVEGCSA-N -1 3 310.405 2.543 20 0 DFADHM CN(C[C@@H]1CC=CCC1)c1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000825908167 609594708 /nfs/dbraw/zinc/59/47/08/609594708.db2.gz FYTAQISEAYIZSB-GFCCVEGCSA-N -1 3 310.405 2.543 20 0 DFADHM C[C@H]1C[C@@H](CCNc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000824885075 609596259 /nfs/dbraw/zinc/59/62/59/609596259.db2.gz RCFFQMOMJMLBFS-QWRGUYRKSA-N -1 3 305.357 2.623 20 0 DFADHM C[C@H]1C[C@@H](CCNc2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824885075 609596262 /nfs/dbraw/zinc/59/62/62/609596262.db2.gz RCFFQMOMJMLBFS-QWRGUYRKSA-N -1 3 305.357 2.623 20 0 DFADHM C[C@@H]1C[C@H](CCNc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000824885071 609596556 /nfs/dbraw/zinc/59/65/56/609596556.db2.gz RCFFQMOMJMLBFS-GHMZBOCLSA-N -1 3 305.357 2.623 20 0 DFADHM C[C@@H]1C[C@H](CCNc2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824885071 609596558 /nfs/dbraw/zinc/59/65/58/609596558.db2.gz RCFFQMOMJMLBFS-GHMZBOCLSA-N -1 3 305.357 2.623 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@H]2c2cccnc2)n1 ZINC000826262140 609598658 /nfs/dbraw/zinc/59/86/58/609598658.db2.gz FMSYQSNPKMKSDG-AWEZNQCLSA-N -1 3 321.388 2.615 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@H]2c2cccnc2)n1 ZINC000826262140 609598661 /nfs/dbraw/zinc/59/86/61/609598661.db2.gz FMSYQSNPKMKSDG-AWEZNQCLSA-N -1 3 321.388 2.615 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825051598 609639244 /nfs/dbraw/zinc/63/92/44/609639244.db2.gz SCKZVOAJIHLVJA-ZHACJKMWSA-N -1 3 316.361 2.665 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825051598 609639246 /nfs/dbraw/zinc/63/92/46/609639246.db2.gz SCKZVOAJIHLVJA-ZHACJKMWSA-N -1 3 316.361 2.665 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000825060860 609640658 /nfs/dbraw/zinc/64/06/58/609640658.db2.gz UBTZXVBHDGRLKE-GHMZBOCLSA-N -1 3 318.377 2.601 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000825060860 609640660 /nfs/dbraw/zinc/64/06/60/609640660.db2.gz UBTZXVBHDGRLKE-GHMZBOCLSA-N -1 3 318.377 2.601 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825061342 609640958 /nfs/dbraw/zinc/64/09/58/609640958.db2.gz XBANANWDRMLFAP-MNOVXSKESA-N -1 3 318.377 2.601 20 0 DFADHM 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CC(C)CCS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000609802078 399331817 /nfs/dbraw/zinc/33/18/17/399331817.db2.gz JAQWMHLWMJLTAO-UHFFFAOYSA-N -1 3 319.467 2.606 20 0 DFADHM Cc1c(Cl)c(CN[C@H]2CCCCCC[C@H]2C(=O)[O-])nn1C ZINC000421817196 296276379 /nfs/dbraw/zinc/27/63/79/296276379.db2.gz SHDWMSHGMYGIGM-NEPJUHHUSA-N -1 3 313.829 2.895 20 0 DFADHM C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(F)c(F)c2[O-])C1 ZINC000623222440 399341164 /nfs/dbraw/zinc/34/11/64/399341164.db2.gz NMRHWXAEJYMAAH-IONNQARKSA-N -1 3 307.300 2.698 20 0 DFADHM C[C@]12CCN(C(=O)c3ccc(O)cc3[O-])C[C@H]1C2(Cl)Cl ZINC000284533399 218067411 /nfs/dbraw/zinc/06/74/11/218067411.db2.gz PCZCOHHAVXDILX-YPMHNXCESA-N -1 3 316.184 2.754 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)c2ccc(CC)cc2)[n-]1 ZINC000619446047 399347786 /nfs/dbraw/zinc/34/77/86/399347786.db2.gz LOKYEEQQVPMXSO-NSHDSACASA-N -1 3 315.373 2.891 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)c2ccc(CC)cc2)c[n-]1 ZINC000619446047 399347789 /nfs/dbraw/zinc/34/77/89/399347789.db2.gz LOKYEEQQVPMXSO-NSHDSACASA-N -1 3 315.373 2.891 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccnc2ccccc21 ZINC000610231345 399348204 /nfs/dbraw/zinc/34/82/04/399348204.db2.gz NIHHVGAHAMDZDI-UHFFFAOYSA-N -1 3 324.340 2.695 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccnc2ccccc21 ZINC000610231345 399348207 /nfs/dbraw/zinc/34/82/07/399348207.db2.gz NIHHVGAHAMDZDI-UHFFFAOYSA-N -1 3 324.340 2.695 20 0 DFADHM COc1ccc([O-])c(C(=O)N(C)CCc2ccccc2OC)c1 ZINC000104907159 194052651 /nfs/dbraw/zinc/05/26/51/194052651.db2.gz JRGDIJWSGHPKOY-UHFFFAOYSA-N -1 3 315.369 2.724 20 0 DFADHM Cc1ncsc1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000104917794 194054061 /nfs/dbraw/zinc/05/40/61/194054061.db2.gz MNFFSLZCIABUJN-UHFFFAOYSA-N -1 3 318.398 2.801 20 0 DFADHM CCC(CC)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000104921957 194054160 /nfs/dbraw/zinc/05/41/60/194054160.db2.gz OCZBDAWECFBPBK-HNNXBMFYSA-N -1 3 318.417 2.549 20 0 DFADHM Cc1nnc([N-]C(=O)c2ncsc2C(F)(F)F)n1C1CC1 ZINC000284709813 218143767 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DFADHM CCc1cc2c(ncnc2Sc2nnc(COC)[n-]2)s1 ZINC000354410638 147026310 /nfs/dbraw/zinc/02/63/10/147026310.db2.gz FLSUCXIYVUKDIF-UHFFFAOYSA-N -1 3 307.404 2.669 20 0 DFADHM CCc1cc2c(ncnc2Sc2n[n-]c(COC)n2)s1 ZINC000354410638 147026312 /nfs/dbraw/zinc/02/63/12/147026312.db2.gz FLSUCXIYVUKDIF-UHFFFAOYSA-N -1 3 307.404 2.669 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2ccc(CNC(C)=O)cc2)c1 ZINC000354449578 147041981 /nfs/dbraw/zinc/04/19/81/147041981.db2.gz AEDIVYSREYDDTR-UHFFFAOYSA-N -1 3 312.369 2.843 20 0 DFADHM CCc1oc2ccccc2c1CN(C)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000354514585 147063704 /nfs/dbraw/zinc/06/37/04/147063704.db2.gz WZBLOKCPWSEEKC-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM Cc1cc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)ccc1[O-] ZINC000354622110 147095156 /nfs/dbraw/zinc/09/51/56/147095156.db2.gz DJGJGMBNVWVWBK-OAHLLOKOSA-N -1 3 324.380 2.515 20 0 DFADHM CCOc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1 ZINC000354627804 147096234 /nfs/dbraw/zinc/09/62/34/147096234.db2.gz AHOSVOKQZIKFEX-UHFFFAOYSA-N -1 3 323.336 2.849 20 0 DFADHM COCc1cccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c1 ZINC000354637023 147099727 /nfs/dbraw/zinc/09/97/27/147099727.db2.gz KWELHKCIGNJVDT-UHFFFAOYSA-N -1 3 323.336 2.596 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)[C@@H](CO)c1ccc(Cl)cc1 ZINC000354654660 147106800 /nfs/dbraw/zinc/10/68/00/147106800.db2.gz UGBBGSRSRRBGSS-LBPRGKRZSA-N -1 3 309.724 2.899 20 0 DFADHM COc1ccc(CNCC(C)(C)OC)c(Br)c1[O-] ZINC000354668872 147111574 /nfs/dbraw/zinc/11/15/74/147111574.db2.gz HLQNEQZFVXENRC-UHFFFAOYSA-N -1 3 318.211 2.678 20 0 DFADHM CSc1nnc(NC(=O)CSCc2cccc(C)c2)[n-]1 ZINC000354786509 147151011 /nfs/dbraw/zinc/15/10/11/147151011.db2.gz PCCBAVWLTATDGA-UHFFFAOYSA-N -1 3 308.432 2.707 20 0 DFADHM CSc1n[n-]c(NC(=O)CSCc2cccc(C)c2)n1 ZINC000354786509 147151015 /nfs/dbraw/zinc/15/10/15/147151015.db2.gz PCCBAVWLTATDGA-UHFFFAOYSA-N -1 3 308.432 2.707 20 0 DFADHM CSc1nc(NC(=O)CSCc2cccc(C)c2)n[n-]1 ZINC000354786509 147151019 /nfs/dbraw/zinc/15/10/19/147151019.db2.gz PCCBAVWLTATDGA-UHFFFAOYSA-N -1 3 308.432 2.707 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCC[C@@H]2COc3ccccc3O2)c1 ZINC000354806986 147158552 /nfs/dbraw/zinc/15/85/52/147158552.db2.gz DRRMATIAIBPRBS-CYBMUJFWSA-N -1 3 313.353 2.661 20 0 DFADHM COc1ccc([C@@H]2CCN(Cc3ccc(C(=O)[O-])o3)C2)cc1 ZINC000517948713 543425566 /nfs/dbraw/zinc/42/55/66/543425566.db2.gz IZWJPSDTAHVELM-CYBMUJFWSA-N -1 3 301.342 2.976 20 0 DFADHM CCC[C@@H](NCc1cc([O-])ccc1Br)C(=O)OC ZINC000354933957 147200392 /nfs/dbraw/zinc/20/03/92/147200392.db2.gz ZBOIIIDFCPGRCN-GFCCVEGCSA-N -1 3 316.195 2.586 20 0 DFADHM COc1ccc(CN(C)CCSC)c(Br)c1[O-] ZINC000355374404 147290266 /nfs/dbraw/zinc/29/02/66/147290266.db2.gz WBIAHLUMUMEBAI-UHFFFAOYSA-N -1 3 320.252 2.958 20 0 DFADHM Cc1cc(NC(=O)c2c[n-]nc2-c2ccncc2)cn2ccnc12 ZINC000355399362 147300230 /nfs/dbraw/zinc/30/02/30/147300230.db2.gz OTDOIYRVKRSOLK-UHFFFAOYSA-N -1 3 318.340 2.680 20 0 DFADHM Cc1cc(NC(=O)c2cn[n-]c2-c2ccncc2)cn2ccnc12 ZINC000355399362 147300236 /nfs/dbraw/zinc/30/02/36/147300236.db2.gz OTDOIYRVKRSOLK-UHFFFAOYSA-N -1 3 318.340 2.680 20 0 DFADHM O=C(NCc1ncccc1[O-])c1ccccc1N1CCCCC1 ZINC000355437110 147315807 /nfs/dbraw/zinc/31/58/07/147315807.db2.gz SLJSNRZOZBDAJL-UHFFFAOYSA-N -1 3 311.385 2.708 20 0 DFADHM CCO[C@H](CC)C(=O)Nc1cc(Br)ccc1[O-] ZINC000536209390 543439275 /nfs/dbraw/zinc/43/92/75/543439275.db2.gz UBHGTQKRGJLYTA-LLVKDONJSA-N -1 3 302.168 2.908 20 0 DFADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cn2ccnc12 ZINC000355481077 147332638 /nfs/dbraw/zinc/33/26/38/147332638.db2.gz MMGPQGKOERIXQR-UHFFFAOYSA-N -1 3 318.336 2.737 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c(F)ccc(F)c1F ZINC000355486666 147334514 /nfs/dbraw/zinc/33/45/14/147334514.db2.gz TUQLLEYJYONVCH-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c(F)ccc(F)c1F ZINC000355486666 147334517 /nfs/dbraw/zinc/33/45/17/147334517.db2.gz TUQLLEYJYONVCH-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM Cc1cccc(C(C)(C)NC(=O)c2cnc3c(cnn3C)c2[O-])c1 ZINC000355570715 147368838 /nfs/dbraw/zinc/36/88/38/147368838.db2.gz CSRWVDWIKJPEAV-UHFFFAOYSA-N -1 3 324.384 2.647 20 0 DFADHM CCC1CCC(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000355573587 147369448 /nfs/dbraw/zinc/36/94/48/147369448.db2.gz GJQSIWQIEUHTLJ-UHFFFAOYSA-N -1 3 314.385 2.516 20 0 DFADHM Cc1csc(CCNC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000682451400 545850891 /nfs/dbraw/zinc/85/08/91/545850891.db2.gz YSGBDCPWGLBVCO-UHFFFAOYSA-N -1 3 322.405 2.978 20 0 DFADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000355604006 147380452 /nfs/dbraw/zinc/38/04/52/147380452.db2.gz ZYSJDQCQEARPSS-RYUDHWBXSA-N -1 3 324.384 2.596 20 0 DFADHM COc1nnc(NC(=O)c2ccccc2CCc2ccccc2)[n-]1 ZINC000355637645 147392558 /nfs/dbraw/zinc/39/25/58/147392558.db2.gz ZTUQIRYLKKPPET-UHFFFAOYSA-N -1 3 322.368 2.851 20 0 DFADHM COc1nc(NC(=O)c2ccccc2CCc2ccccc2)n[n-]1 ZINC000355637645 147392560 /nfs/dbraw/zinc/39/25/60/147392560.db2.gz ZTUQIRYLKKPPET-UHFFFAOYSA-N -1 3 322.368 2.851 20 0 DFADHM COc1n[n-]c(NC(=O)c2ccccc2CCc2ccccc2)n1 ZINC000355637645 147392562 /nfs/dbraw/zinc/39/25/62/147392562.db2.gz ZTUQIRYLKKPPET-UHFFFAOYSA-N -1 3 322.368 2.851 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@H]1CCCc2sccc21 ZINC000349919721 285971206 /nfs/dbraw/zinc/97/12/06/285971206.db2.gz IRWZRNNEYXLAQP-NSHDSACASA-N -1 3 303.387 2.726 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000350092034 286003198 /nfs/dbraw/zinc/00/31/98/286003198.db2.gz FHZISRMBGQYTAL-HIFRSBDPSA-N -1 3 300.333 2.887 20 0 DFADHM Cc1ccc(C(=O)CCCC(=O)NCc2ncccc2[O-])cc1 ZINC000357463845 148003270 /nfs/dbraw/zinc/00/32/70/148003270.db2.gz IIGZRWIUUSLRMA-UHFFFAOYSA-N -1 3 312.369 2.765 20 0 DFADHM COc1cc(C(=O)NC2(c3ccccc3F)CC2)ccc1[O-] ZINC000357607279 148056224 /nfs/dbraw/zinc/05/62/24/148056224.db2.gz CFJQCEPHGTYOJA-UHFFFAOYSA-N -1 3 301.317 2.959 20 0 DFADHM COc1cc(C(=O)NC2(c3cccc(F)c3)CC2)ccc1[O-] ZINC000357611656 148057388 /nfs/dbraw/zinc/05/73/88/148057388.db2.gz PDMICVXYDKARDH-UHFFFAOYSA-N -1 3 301.317 2.959 20 0 DFADHM O=c1[n-]nc(SCc2ccon2)n1CCc1ccccc1 ZINC000357654304 148071739 /nfs/dbraw/zinc/07/17/39/148071739.db2.gz LXVTZPDVBAXGPB-UHFFFAOYSA-N -1 3 302.359 2.507 20 0 DFADHM COCCn1cc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cn1 ZINC000357837829 148143350 /nfs/dbraw/zinc/14/33/50/148143350.db2.gz LKANFRUQKIYSMM-UHFFFAOYSA-N -1 3 324.793 2.978 20 0 DFADHM CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@@H]1CCC(C)(C)C1 ZINC000358067995 148231302 /nfs/dbraw/zinc/23/13/02/148231302.db2.gz CEEWGYPOQBHNJJ-CQSZACIVSA-N -1 3 324.446 2.709 20 0 DFADHM Cc1cc(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)[n-]c(=O)n1 ZINC000358085868 148238317 /nfs/dbraw/zinc/23/83/17/148238317.db2.gz GVOJVHUIHHMUMW-OCCSQVGLSA-N -1 3 315.348 2.696 20 0 DFADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H](C(C)(C)C)C2)c(=O)[n-]1 ZINC000358314948 148327048 /nfs/dbraw/zinc/32/70/48/148327048.db2.gz YABILTQDPRPWBE-CYBMUJFWSA-N -1 3 305.422 2.626 20 0 DFADHM C[C@H](CN(C)C(=O)c1cnc2c(cnn2C)c1[O-])c1ccccc1 ZINC000358329553 148331103 /nfs/dbraw/zinc/33/11/03/148331103.db2.gz GKYIEGZTVYBJOS-GFCCVEGCSA-N -1 3 324.384 2.550 20 0 DFADHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358426851 148356549 /nfs/dbraw/zinc/35/65/49/148356549.db2.gz LORHXARAQFYBJY-GOEBONIOSA-N -1 3 321.398 2.605 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)COc2c(C)cccc2C)o1 ZINC000358429141 148357655 /nfs/dbraw/zinc/35/76/55/148357655.db2.gz QLWJRVBIQDOLKF-CYBMUJFWSA-N -1 3 323.414 2.951 20 0 DFADHM CN(C(=O)c1c[n-]nc1-c1cccc(Cl)c1)c1ccn(C)n1 ZINC000358445197 148362104 /nfs/dbraw/zinc/36/21/04/148362104.db2.gz ROCUHLQNODSGEN-UHFFFAOYSA-N -1 3 315.764 2.740 20 0 DFADHM CN(C(=O)c1cn[n-]c1-c1cccc(Cl)c1)c1ccn(C)n1 ZINC000358445197 148362107 /nfs/dbraw/zinc/36/21/07/148362107.db2.gz ROCUHLQNODSGEN-UHFFFAOYSA-N -1 3 315.764 2.740 20 0 DFADHM Cc1nc(NC(=O)c2nc[n-]n2)sc1Cc1cccc(F)c1 ZINC000358453629 148365514 /nfs/dbraw/zinc/36/55/14/148365514.db2.gz MFSYZRGUGZZJOU-UHFFFAOYSA-N -1 3 317.349 2.552 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2F)o1 ZINC000358588287 148392722 /nfs/dbraw/zinc/39/27/22/148392722.db2.gz KACAXKKNNKTKNI-VIFPVBQESA-N -1 3 315.341 2.948 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(C)ccc23)o1 ZINC000358607997 148397055 /nfs/dbraw/zinc/39/70/55/148397055.db2.gz ZBPJPFANHGZFFF-UHFFFAOYSA-N -1 3 318.398 2.899 20 0 DFADHM Cc1occc1-c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000350434106 286040261 /nfs/dbraw/zinc/04/02/61/286040261.db2.gz HZTZGYKFYRDISX-UHFFFAOYSA-N -1 3 319.342 2.677 20 0 DFADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2ccncn2)no1 ZINC000350430281 286039587 /nfs/dbraw/zinc/03/95/87/286039587.db2.gz BXWDOHSBWOGIAU-UHFFFAOYSA-N -1 3 319.683 2.571 20 0 DFADHM COCCS(=O)(=O)[N-]c1ccc2nc(C(F)F)sc2c1 ZINC000350472910 286046906 /nfs/dbraw/zinc/04/69/06/286046906.db2.gz DDAYVDGXOBACPD-UHFFFAOYSA-N -1 3 322.358 2.622 20 0 DFADHM Cc1cncnc1-c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000350495371 286050905 /nfs/dbraw/zinc/05/09/05/286050905.db2.gz PBMABVVIVAJZIS-UHFFFAOYSA-N -1 3 302.721 2.785 20 0 DFADHM O=[S@@](Cc1csc(-c2ncccn2)n1)c1cccc([O-])c1 ZINC000350549065 286057008 /nfs/dbraw/zinc/05/70/08/286057008.db2.gz AWJXMYGTARHTOW-NRFANRHFSA-N -1 3 317.395 2.614 20 0 DFADHM Cc1nc(-c2cnn(C)c2)oc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350572565 286060814 /nfs/dbraw/zinc/06/08/14/286060814.db2.gz DOELRAPWKNPPMA-UHFFFAOYSA-N -1 3 323.312 2.806 20 0 DFADHM O=C1C[C@H](c2noc(-c3ccccc3[O-])n2)CN1c1ccccc1 ZINC000350571041 286060865 /nfs/dbraw/zinc/06/08/65/286060865.db2.gz WTMOFAFTWLQIRV-LBPRGKRZSA-N -1 3 321.336 2.963 20 0 DFADHM O=C([N-]c1nnc(-c2ccco2)s1)c1occ2c1CCOC2 ZINC000350665718 286071333 /nfs/dbraw/zinc/07/13/33/286071333.db2.gz YVYVKHFNWPRFBU-UHFFFAOYSA-N -1 3 317.326 2.716 20 0 DFADHM COc1ccc(C[C@@H](C)CN(C)C(=O)c2csc(=O)[n-]2)cc1 ZINC000350667419 286071601 /nfs/dbraw/zinc/07/16/01/286071601.db2.gz BOIDNUFZRSGWIO-LLVKDONJSA-N -1 3 320.414 2.808 20 0 DFADHM Cc1nn(Cc2ccccc2)c(N)c1C(=O)Nc1ccccc1[O-] ZINC000350699310 286075160 /nfs/dbraw/zinc/07/51/60/286075160.db2.gz JAGOQERWZDCREJ-UHFFFAOYSA-N -1 3 322.368 2.780 20 0 DFADHM CC1CC(NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000361207642 149054589 /nfs/dbraw/zinc/05/45/89/149054589.db2.gz YTBZYCOCDUPNPL-UHFFFAOYSA-N -1 3 313.195 2.752 20 0 DFADHM Cc1nc(C)c(CCC(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c(=O)[n-]1 ZINC000361248935 149065691 /nfs/dbraw/zinc/06/56/91/149065691.db2.gz QKRWNRQOMCIXHJ-XUJVJEKNSA-N -1 3 319.449 2.920 20 0 DFADHM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1csc(=O)[n-]1 ZINC000350766615 286085107 /nfs/dbraw/zinc/08/51/07/286085107.db2.gz YNXPHSVQTLOFGB-UHFFFAOYSA-N -1 3 302.277 2.538 20 0 DFADHM CC1(C)CCCC[C@H]1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000361510914 149135939 /nfs/dbraw/zinc/13/59/39/149135939.db2.gz MRVZOFZODOKKKM-MRVPVSSYSA-N -1 3 319.331 2.592 20 0 DFADHM CC1(C)CCCC[C@H]1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000361510914 149135941 /nfs/dbraw/zinc/13/59/41/149135941.db2.gz MRVZOFZODOKKKM-MRVPVSSYSA-N -1 3 319.331 2.592 20 0 DFADHM CC1(C)CCCC[C@H]1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361510914 149135944 /nfs/dbraw/zinc/13/59/44/149135944.db2.gz MRVZOFZODOKKKM-MRVPVSSYSA-N -1 3 319.331 2.592 20 0 DFADHM C[C@@H](Oc1cnc2ccccc2c1)C(=O)Nc1ncccc1[O-] ZINC000350858801 286095391 /nfs/dbraw/zinc/09/53/91/286095391.db2.gz CNINOBCOZGIDIM-LLVKDONJSA-N -1 3 309.325 2.741 20 0 DFADHM COC(=O)c1cnc(SCc2ccc(-n3cccn3)cc2)[n-]1 ZINC000361995663 149272306 /nfs/dbraw/zinc/27/23/06/149272306.db2.gz INUURIPCGMQTGK-UHFFFAOYSA-N -1 3 314.370 2.674 20 0 DFADHM O=C(NCCCCC1CCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000362246511 149293585 /nfs/dbraw/zinc/29/35/85/149293585.db2.gz RFHYZBAHLPKYIH-UHFFFAOYSA-N -1 3 314.385 2.661 20 0 DFADHM CC(C)CC1(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000362541722 149300822 /nfs/dbraw/zinc/30/08/22/149300822.db2.gz PTYJFMNSSWBGAK-UHFFFAOYSA-N -1 3 324.446 2.614 20 0 DFADHM CC1([N-]S(=O)(=O)c2cc(F)cc(F)c2)Cc2ccccc2C1 ZINC000350900735 286099246 /nfs/dbraw/zinc/09/92/46/286099246.db2.gz XZIMGWLMNXAZJM-UHFFFAOYSA-N -1 3 323.364 2.801 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc2cnccc21 ZINC000362630183 149328826 /nfs/dbraw/zinc/32/88/26/149328826.db2.gz GEUFCEVJIYGRJQ-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc2cnccc21 ZINC000362630183 149328829 /nfs/dbraw/zinc/32/88/29/149328829.db2.gz GEUFCEVJIYGRJQ-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM CCCc1nc(C)c([N-]S(=O)(=O)N2CCC[C@H](C)C2)s1 ZINC000362722435 149351184 /nfs/dbraw/zinc/35/11/84/149351184.db2.gz JYQIDCJKVXIRDN-JTQLQIEISA-N -1 3 317.480 2.793 20 0 DFADHM c1ccc(-c2n[n-]nc2-c2nc(Cc3cccnc3)no2)cc1 ZINC000351077269 286108058 /nfs/dbraw/zinc/10/80/58/286108058.db2.gz FYYVOGGSSOCBAC-UHFFFAOYSA-N -1 3 304.313 2.508 20 0 DFADHM O=C(NCCCCc1ccc(F)c(F)c1)c1csc(=O)[n-]1 ZINC000351272520 286119774 /nfs/dbraw/zinc/11/97/74/286119774.db2.gz UNWAZEXLRMGSST-UHFFFAOYSA-N -1 3 312.341 2.880 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)c1[O-] ZINC000369605174 149810671 /nfs/dbraw/zinc/81/06/71/149810671.db2.gz GPIKRRPDKUSZTA-FGWVZKOKSA-N -1 3 323.776 2.534 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000371581035 150068399 /nfs/dbraw/zinc/06/83/99/150068399.db2.gz FPHCWEWZHNXIKU-DZGCQCFKSA-N -1 3 321.804 2.948 20 0 DFADHM Cc1ccc([O-])c(CN2CCC(n3cc(Cl)cn3)CC2)n1 ZINC000371670073 150078743 /nfs/dbraw/zinc/07/87/43/150078743.db2.gz JQOBHLDHSWIRJI-UHFFFAOYSA-N -1 3 306.797 2.783 20 0 DFADHM O=C(c1c([O-])cnc2ccccc21)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000371926116 150114099 /nfs/dbraw/zinc/11/40/99/150114099.db2.gz FRDZHZKURQALIG-LBPRGKRZSA-N -1 3 322.368 2.683 20 0 DFADHM O=C([C@H]1CCCN(Cc2cccc([O-])c2Cl)C1)N1CCCC1 ZINC000351588324 286161327 /nfs/dbraw/zinc/16/13/27/286161327.db2.gz HDSYNAMUZVZVON-AWEZNQCLSA-N -1 3 322.836 2.880 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000372074089 150133392 /nfs/dbraw/zinc/13/33/92/150133392.db2.gz RQFOYPILXPBYGJ-UHFFFAOYSA-N -1 3 313.357 2.672 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1C ZINC000351602885 286166095 /nfs/dbraw/zinc/16/60/95/286166095.db2.gz JFEBBBHEBCWXTN-MXWKQRLJSA-N -1 3 315.373 2.516 20 0 DFADHM CCOc1cccc(CNC[C@@H](CC(=O)[O-])c2ccccc2)n1 ZINC000426666380 296635112 /nfs/dbraw/zinc/63/51/12/296635112.db2.gz QVKPGHUDBOXADR-OAHLLOKOSA-N -1 3 314.385 2.828 20 0 DFADHM CC[C@@H](CNCc1ccc(OC)c(OC)c1Cl)CC(=O)[O-] ZINC000426669861 296635442 /nfs/dbraw/zinc/63/54/42/296635442.db2.gz PHAMKPDDXRAAME-SNVBAGLBSA-N -1 3 315.797 2.948 20 0 DFADHM COc1cc2c(cc1CN[C@@H](C)CCC[C@@H](C)C(=O)[O-])OCO2 ZINC000426672972 296635461 /nfs/dbraw/zinc/63/54/61/296635461.db2.gz VDDGYRXJBZPDBJ-NEPJUHHUSA-N -1 3 323.389 2.793 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C23CCC(CC2)C3)c(Cl)n1 ZINC000373053934 150222705 /nfs/dbraw/zinc/22/27/05/150222705.db2.gz GNYRYVVFKWPHBM-UHFFFAOYSA-N -1 3 300.811 2.654 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000373239813 150252447 /nfs/dbraw/zinc/25/24/47/150252447.db2.gz OBQUWZBHVSAQEL-JSGCOSHPSA-N -1 3 318.398 2.577 20 0 DFADHM CCOCCON=C([O-])Nc1cc(-c2cnccn2)ccc1C ZINC000373973919 150286111 /nfs/dbraw/zinc/28/61/11/150286111.db2.gz QXKRFBIUAZGWIQ-UHFFFAOYSA-N -1 3 316.361 2.542 20 0 DFADHM CCOCCO[N-]C(=O)Nc1cc(-c2cnccn2)ccc1C ZINC000373973919 150286113 /nfs/dbraw/zinc/28/61/13/150286113.db2.gz QXKRFBIUAZGWIQ-UHFFFAOYSA-N -1 3 316.361 2.542 20 0 DFADHM Cc1cnn(C[C@H](NCc2ccc(CC(C)C)cc2)C(=O)[O-])c1 ZINC000426722654 296638137 /nfs/dbraw/zinc/63/81/37/296638137.db2.gz INSICWHZCRERLR-KRWDZBQOSA-N -1 3 315.417 2.633 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(c2c[nH]cn2)CC1 ZINC000374451658 150369635 /nfs/dbraw/zinc/36/96/35/150369635.db2.gz VGEVWGAPACFRPO-UHFFFAOYSA-N -1 3 319.792 2.717 20 0 DFADHM CCCSC[C@@H](NCc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000426786877 296640115 /nfs/dbraw/zinc/64/01/15/296640115.db2.gz ZEZSPKOLIGSFMC-LLVKDONJSA-N -1 3 307.337 2.790 20 0 DFADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccoc3)o2)cs1 ZINC000351674484 286189762 /nfs/dbraw/zinc/18/97/62/286189762.db2.gz VHGAGDLTFYNVMO-UHFFFAOYSA-N -1 3 324.383 2.783 20 0 DFADHM CCc1ccc([C@@H](NCc2cnn(C(C)C)c2)C(=O)[O-])cc1 ZINC000426815809 296641928 /nfs/dbraw/zinc/64/19/28/296641928.db2.gz HKFVDELLBRHLSC-MRXNPFEDSA-N -1 3 301.390 2.942 20 0 DFADHM COc1cc(C(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)on1 ZINC000375943667 286204039 /nfs/dbraw/zinc/20/40/39/286204039.db2.gz ARCZMLQTNOXOAK-UHFFFAOYSA-N -1 3 316.313 2.679 20 0 DFADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccsc2)C2CC2)s1 ZINC000351938325 286250645 /nfs/dbraw/zinc/25/06/45/286250645.db2.gz XTRMAYMXSNAGMP-LLVKDONJSA-N -1 3 314.457 2.943 20 0 DFADHM CC(C)OCCO[N-]C(=O)/C=C\c1ccnc2ccccc12 ZINC000493231682 299740450 /nfs/dbraw/zinc/74/04/50/299740450.db2.gz YIXSQGHCIUCYII-FPLPWBNLSA-N -1 3 300.358 2.721 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cscc2C)c1 ZINC000427598757 296660768 /nfs/dbraw/zinc/66/07/68/296660768.db2.gz ILWYXIJPNADZGA-UHFFFAOYSA-N -1 3 304.371 2.651 20 0 DFADHM [O-]c1ccc(F)c(CNC[C@@H]2COc3ccccc3O2)c1F ZINC000352062311 286283158 /nfs/dbraw/zinc/28/31/58/286283158.db2.gz JYRYATFYYZJQSG-SNVBAGLBSA-N -1 3 307.296 2.600 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)c1ccsc1)c1ccc(F)cc1 ZINC000352117998 286296659 /nfs/dbraw/zinc/29/66/59/286296659.db2.gz OKQPTCPGHCGCHL-ZDUSSCGKSA-N -1 3 315.391 2.553 20 0 DFADHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccoc1 ZINC000352182278 286313312 /nfs/dbraw/zinc/31/33/12/286313312.db2.gz OSXHAKFIYLMYCA-UHFFFAOYSA-N -1 3 315.778 2.810 20 0 DFADHM Cc1ccc([C@H]2CCCCN2C(=O)c2cc(C)nc(=O)[n-]2)o1 ZINC000268819943 292264231 /nfs/dbraw/zinc/26/42/31/292264231.db2.gz JOWBPTKADUBUPN-CYBMUJFWSA-N -1 3 301.346 2.759 20 0 DFADHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000352229374 286323706 /nfs/dbraw/zinc/32/37/06/286323706.db2.gz REHBWKTUVYHYJJ-MWLCHTKSSA-N -1 3 324.302 2.941 20 0 DFADHM Cc1ccc(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)s1 ZINC000352285682 286336296 /nfs/dbraw/zinc/33/62/96/286336296.db2.gz SJQGAGGVXDQTCQ-UHFFFAOYSA-N -1 3 304.297 2.765 20 0 DFADHM Cc1ccc(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)s1 ZINC000352285682 286336299 /nfs/dbraw/zinc/33/62/99/286336299.db2.gz SJQGAGGVXDQTCQ-UHFFFAOYSA-N -1 3 304.297 2.765 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000175473562 286337968 /nfs/dbraw/zinc/33/79/68/286337968.db2.gz FVNYDVJKQYAQKJ-UKRRQHHQSA-N -1 3 307.415 2.901 20 0 DFADHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000352311294 286341962 /nfs/dbraw/zinc/34/19/62/286341962.db2.gz UHZZWYCOUATBIK-XVKPBYJWSA-N -1 3 309.815 2.509 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)[n-]c(=O)n1 ZINC000352326499 286344312 /nfs/dbraw/zinc/34/43/12/286344312.db2.gz IPHVADDQIGEEAE-NSHDSACASA-N -1 3 324.340 2.637 20 0 DFADHM Cc1noc(C)c1[N-]C(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000352489375 286386819 /nfs/dbraw/zinc/38/68/19/286386819.db2.gz AHGNJEPJRMSOMK-UHFFFAOYSA-N -1 3 317.736 2.778 20 0 DFADHM CCCOc1cc(OC)ccc1C(=O)NCc1ncccc1[O-] ZINC000352499337 286389497 /nfs/dbraw/zinc/38/94/97/286389497.db2.gz FTSASQBIRDGNSS-UHFFFAOYSA-N -1 3 316.357 2.515 20 0 DFADHM O=C(NCc1ncccc1[O-])c1ccc(F)c(C(F)(F)F)c1 ZINC000352500491 286389786 /nfs/dbraw/zinc/38/97/86/286389786.db2.gz KDODAUIZAPBDTJ-UHFFFAOYSA-N -1 3 314.238 2.875 20 0 DFADHM COc1ccc(C(=O)NCc2ncccc2[O-])c2ccccc12 ZINC000352502112 286390137 /nfs/dbraw/zinc/39/01/37/286390137.db2.gz QZZFSTFNSARRPA-UHFFFAOYSA-N -1 3 308.337 2.879 20 0 DFADHM CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ncccc1[O-] ZINC000352515732 286394648 /nfs/dbraw/zinc/39/46/48/286394648.db2.gz IFDQVRXEBNDIAA-MRXNPFEDSA-N -1 3 300.358 2.569 20 0 DFADHM CC(C)(C)O[C@H](C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352516804 286394989 /nfs/dbraw/zinc/39/49/89/286394989.db2.gz MZGRBLIEBJDQQZ-INIZCTEOSA-N -1 3 314.385 2.960 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000352517867 286395393 /nfs/dbraw/zinc/39/53/93/286395393.db2.gz TXBZIXGRMGXWPE-ZJUUUORDSA-N -1 3 320.751 3.000 20 0 DFADHM O=C(NCc1ncccc1[O-])c1ccc(Cl)c2cccnc12 ZINC000352518718 286395729 /nfs/dbraw/zinc/39/57/29/286395729.db2.gz YXPZHUCMVKHAPW-UHFFFAOYSA-N -1 3 313.744 2.919 20 0 DFADHM CCN(c1ccc(C(=O)NCc2ncccc2[O-])cc1)C(C)C ZINC000352518790 286395944 /nfs/dbraw/zinc/39/59/44/286395944.db2.gz ZJUWZILXZDLNKI-UHFFFAOYSA-N -1 3 313.401 2.952 20 0 DFADHM CCc1c(C(=O)NCc2ncccc2[O-])cnn1CCC(C)C ZINC000352505683 286391707 /nfs/dbraw/zinc/39/17/07/286391707.db2.gz AUJWMDQDXPRLHE-UHFFFAOYSA-N -1 3 316.405 2.522 20 0 DFADHM Cc1nc(C(=O)NCc2ncccc2[O-])c(-c2ccccc2)o1 ZINC000352506155 286391950 /nfs/dbraw/zinc/39/19/50/286391950.db2.gz DYNMTXTWBGPWSB-UHFFFAOYSA-N -1 3 309.325 2.681 20 0 DFADHM Cc1ccc(C(=O)NCc2ncccc2[O-])c(Br)c1 ZINC000352509328 286392956 /nfs/dbraw/zinc/39/29/56/286392956.db2.gz PAHLENKOZJIWFE-UHFFFAOYSA-N -1 3 321.174 2.788 20 0 DFADHM COc1cc(F)c(F)cc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000493346968 299761698 /nfs/dbraw/zinc/76/16/98/299761698.db2.gz BDEQFYQCMHLGDZ-IHWYPQMZSA-N -1 3 306.268 2.726 20 0 DFADHM Cc1c(CC(=O)Nc2c(C)cccc2[O-])nnn1-c1ccccc1 ZINC000352635565 286426494 /nfs/dbraw/zinc/42/64/94/286426494.db2.gz DBRMLSLIHCWSFN-UHFFFAOYSA-N -1 3 322.368 2.771 20 0 DFADHM CC(C)(NC(=O)/C=C/c1cncc([O-])c1)c1ccccc1F ZINC000493389324 299771266 /nfs/dbraw/zinc/77/12/66/299771266.db2.gz ROLLRIKMWIZNDG-BQYQJAHWSA-N -1 3 300.333 2.991 20 0 DFADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1(C)C ZINC000352989415 286521557 /nfs/dbraw/zinc/52/15/57/286521557.db2.gz MUHBMHUKOYWSLL-IUCAKERBSA-N -1 3 323.867 2.802 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CCc2ccco2)sc1Cl ZINC000353093980 286549578 /nfs/dbraw/zinc/54/95/78/286549578.db2.gz AISOPAUMDGJCHD-UHFFFAOYSA-N -1 3 305.808 2.824 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C)sc1Cl ZINC000353097140 286550659 /nfs/dbraw/zinc/55/06/59/286550659.db2.gz LZJHJTYKMIVQJE-LDYMZIIASA-N -1 3 309.840 2.556 20 0 DFADHM C[S@](=O)Cc1ccc(CNCc2cc([O-])cc(F)c2)cc1 ZINC000353117992 286555031 /nfs/dbraw/zinc/55/50/31/286555031.db2.gz KIVAGJXSGCDYSV-NRFANRHFSA-N -1 3 307.390 2.700 20 0 DFADHM COC1CCC(CNC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000429323268 296743425 /nfs/dbraw/zinc/74/34/25/296743425.db2.gz UOMGWANSLPMEOI-UHFFFAOYSA-N -1 3 310.369 2.536 20 0 DFADHM COC(=O)[C@H](C)[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000182549773 158004449 /nfs/dbraw/zinc/00/44/49/158004449.db2.gz WXWZVXXDKSUXEV-MLGOLLRUSA-N -1 3 313.353 2.672 20 0 DFADHM Cc1ccc(C)c(N2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000182825849 158008538 /nfs/dbraw/zinc/00/85/38/158008538.db2.gz HQYPBGKSXNDZJR-UHFFFAOYSA-N -1 3 310.397 2.971 20 0 DFADHM Cc1[nH]ncc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182912801 158009345 /nfs/dbraw/zinc/00/93/45/158009345.db2.gz YGXLHHCAYSVQAF-UHFFFAOYSA-N -1 3 310.151 2.747 20 0 DFADHM O=C(CCc1nc(-c2ccco2)no1)Nc1ccc([O-])cc1F ZINC000183275975 158015583 /nfs/dbraw/zinc/01/55/83/158015583.db2.gz GSPDZPPHAWLGBR-UHFFFAOYSA-N -1 3 317.276 2.746 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1 ZINC000183551687 158019735 /nfs/dbraw/zinc/01/97/35/158019735.db2.gz FVBNDKHQYAGXKK-GFCCVEGCSA-N -1 3 307.357 2.533 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000183551687 158019737 /nfs/dbraw/zinc/01/97/37/158019737.db2.gz FVBNDKHQYAGXKK-GFCCVEGCSA-N -1 3 307.357 2.533 20 0 DFADHM O=S(=O)(CCCOc1ccc(F)cc1)c1cccc([O-])c1 ZINC000183998468 158026275 /nfs/dbraw/zinc/02/62/75/158026275.db2.gz RIOOEUDUXLIGTC-UHFFFAOYSA-N -1 3 310.346 2.774 20 0 DFADHM Cc1ccc(NC(=O)[C@H](C)[S@@](=O)c2cccc([O-])c2)c(F)c1 ZINC000184047467 158027313 /nfs/dbraw/zinc/02/73/13/158027313.db2.gz FBOQXWFNDSBEJM-KPWVOAKYSA-N -1 3 321.373 2.975 20 0 DFADHM COC(=O)c1coc(C(=O)[N-]c2cc(C(F)(F)F)ccn2)c1 ZINC000185442984 158058837 /nfs/dbraw/zinc/05/88/37/158058837.db2.gz ITMPYTWHPRXAGW-UHFFFAOYSA-N -1 3 314.219 2.732 20 0 DFADHM O=C1[C@H](NCc2cc([O-])cc(F)c2)CCN1c1ccccc1F ZINC000185532091 158061738 /nfs/dbraw/zinc/06/17/38/158061738.db2.gz RJDVXFVCZSKEMD-OAHLLOKOSA-N -1 3 318.323 2.566 20 0 DFADHM Cc1nnc([C@H](NCc2cc([O-])cc(F)c2)c2ccccc2)[nH]1 ZINC000185512318 158061760 /nfs/dbraw/zinc/06/17/60/158061760.db2.gz YOGBAILRLQDYGO-MRXNPFEDSA-N -1 3 312.348 2.837 20 0 DFADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(-c2ccoc2)no1 ZINC000248564561 158184874 /nfs/dbraw/zinc/18/48/74/158184874.db2.gz PBYCDQFXTADYSX-RTXFEEFZSA-N -1 3 317.345 2.547 20 0 DFADHM CN1CC[C@@H]([N-]C(=O)C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248655523 158194304 /nfs/dbraw/zinc/19/43/04/158194304.db2.gz BQCGZELGUFQBRB-GHMZBOCLSA-N -1 3 306.715 2.606 20 0 DFADHM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1csc(=O)[n-]1 ZINC000351324336 158228465 /nfs/dbraw/zinc/22/84/65/158228465.db2.gz GPERSYWWXIICQL-VIFPVBQESA-N -1 3 316.304 2.925 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1 ZINC000354896895 158241823 /nfs/dbraw/zinc/24/18/23/158241823.db2.gz HXYASCKLZIZNQB-ZDUSSCGKSA-N -1 3 310.353 2.556 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)c3ccnc4ccncc43)[n-]2)o1 ZINC000354915126 158244145 /nfs/dbraw/zinc/24/41/45/158244145.db2.gz YMSQXTRLALTURB-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccnc4ccncc43)n2)o1 ZINC000354915126 158244147 /nfs/dbraw/zinc/24/41/47/158244147.db2.gz YMSQXTRLALTURB-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)c3ccnc4ccncc43)n[n-]2)o1 ZINC000354915126 158244150 /nfs/dbraw/zinc/24/41/50/158244150.db2.gz YMSQXTRLALTURB-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM CCCc1cc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)ccn1 ZINC000355014652 158252970 /nfs/dbraw/zinc/25/29/70/158252970.db2.gz QFXJXCQFMVJEEK-UHFFFAOYSA-N -1 3 311.345 2.973 20 0 DFADHM CCCc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)ccn1 ZINC000355014652 158252972 /nfs/dbraw/zinc/25/29/72/158252972.db2.gz QFXJXCQFMVJEEK-UHFFFAOYSA-N -1 3 311.345 2.973 20 0 DFADHM CCCc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)ccn1 ZINC000355014652 158252975 /nfs/dbraw/zinc/25/29/75/158252975.db2.gz QFXJXCQFMVJEEK-UHFFFAOYSA-N -1 3 311.345 2.973 20 0 DFADHM C[C@H](Cc1cccc(O)c1)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000355210645 158299776 /nfs/dbraw/zinc/29/97/76/158299776.db2.gz XHYBUFVTSSJZBM-GFCCVEGCSA-N -1 3 322.368 2.538 20 0 DFADHM CCCn1c(=O)[n-]nc1S[C@@H](CC)C(=O)OC(C)(C)C ZINC000358388899 158375198 /nfs/dbraw/zinc/37/51/98/158375198.db2.gz LZSRPYUPJKUMSM-VIFPVBQESA-N -1 3 301.412 2.606 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(C)c2)o1 ZINC000358461928 158380524 /nfs/dbraw/zinc/38/05/24/158380524.db2.gz JTPPHZQQSBDLJQ-CYBMUJFWSA-N -1 3 309.387 2.642 20 0 DFADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000358538665 158388084 /nfs/dbraw/zinc/38/80/84/158388084.db2.gz VQQSIMXZUZNUSA-NEPJUHHUSA-N -1 3 314.385 2.516 20 0 DFADHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C)o2)c1 ZINC000358584266 158391481 /nfs/dbraw/zinc/39/14/81/158391481.db2.gz FPAYUGXPCPTBIV-UHFFFAOYSA-N -1 3 323.414 2.853 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3c2cccc3C)o1 ZINC000358594960 158393030 /nfs/dbraw/zinc/39/30/30/158393030.db2.gz CNZBLDOKMLDXDN-UHFFFAOYSA-N -1 3 318.398 2.899 20 0 DFADHM COc1cccc(F)c1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000362301721 158516607 /nfs/dbraw/zinc/51/66/07/158516607.db2.gz UDAJPWHCXQDPFG-UHFFFAOYSA-N -1 3 320.711 2.783 20 0 DFADHM Cc1ccn(-c2ccc(NC(=O)/C=C\c3cncc([O-])c3)cc2)n1 ZINC000493658137 299805511 /nfs/dbraw/zinc/80/55/11/299805511.db2.gz UECGOVFRKWFHQL-UQCOIBPSSA-N -1 3 320.352 2.933 20 0 DFADHM CCOc1cc(C)ccc1NC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000431333346 296829171 /nfs/dbraw/zinc/82/91/71/296829171.db2.gz NUXUMRCGWJKSGC-UHFFFAOYSA-N -1 3 302.330 2.761 20 0 DFADHM O=C(Nc1cccc([O-])c1F)c1cnn(CC(F)(F)F)c1 ZINC000682517944 545865819 /nfs/dbraw/zinc/86/58/19/545865819.db2.gz LVVOHNUAMDQEIZ-UHFFFAOYSA-N -1 3 303.215 2.542 20 0 DFADHM O=C(NCc1cccc2c1OCO2)c1cc([O-])ccc1Cl ZINC000431739228 296848133 /nfs/dbraw/zinc/84/81/33/296848133.db2.gz ZBDJYIGZBJRIMC-UHFFFAOYSA-N -1 3 305.717 2.704 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccccc2N2CCCC2)c[n-]1 ZINC000431758747 296849156 /nfs/dbraw/zinc/84/91/56/296849156.db2.gz HAIVXRJFZNHRQR-UHFFFAOYSA-N -1 3 313.357 2.654 20 0 DFADHM Cc1ccn2cc(CNC(=O)c3cc([O-])ccc3Cl)nc2c1 ZINC000431742461 296848372 /nfs/dbraw/zinc/84/83/72/296848372.db2.gz FUFWGJCOJCNVCP-UHFFFAOYSA-N -1 3 315.760 2.932 20 0 DFADHM COC(=O)c1cc(C(=O)N2CCCc3cc(F)ccc32)c[n-]1 ZINC000431830970 296851981 /nfs/dbraw/zinc/85/19/81/296851981.db2.gz AZCYGOOASCPQKV-UHFFFAOYSA-N -1 3 302.305 2.533 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccnc1 ZINC000131011207 196131756 /nfs/dbraw/zinc/13/17/56/196131756.db2.gz SXDVHSCXPMLOJS-SECBINFHSA-N -1 3 314.769 2.914 20 0 DFADHM Cc1ccc([O-])c(CN2CCCC[C@H]2C(=O)OC(C)(C)C)n1 ZINC000131862043 196205492 /nfs/dbraw/zinc/20/54/92/196205492.db2.gz QPXBTJRQQDELRZ-AWEZNQCLSA-N -1 3 306.406 2.792 20 0 DFADHM CSC[C@H](C)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000132071638 196224365 /nfs/dbraw/zinc/22/43/65/196224365.db2.gz AJBJBTKPUFACHQ-QMMMGPOBSA-N -1 3 321.851 2.572 20 0 DFADHM CCC[C@H](C(=O)Nc1cc(Br)ccc1[O-])N(C)C ZINC000132588218 196268068 /nfs/dbraw/zinc/26/80/68/196268068.db2.gz ZCCOVNLRVFYCOZ-LLVKDONJSA-N -1 3 315.211 2.824 20 0 DFADHM Cn1cc([C@H]2CCCN2C(=O)Cc2ccc([O-])cc2Cl)cn1 ZINC000132591742 196269135 /nfs/dbraw/zinc/26/91/35/196269135.db2.gz CTLOQJQBZKDXPT-OAHLLOKOSA-N -1 3 319.792 2.685 20 0 DFADHM C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132659018 196274090 /nfs/dbraw/zinc/27/40/90/196274090.db2.gz JLLRHRNIFNCDLD-MGPLVRAMSA-N -1 3 301.317 2.712 20 0 DFADHM CC(C)n1[n-]cc/c1=N\C(=O)N1CCOC2(C1)CCCCCC2 ZINC000132802799 196284748 /nfs/dbraw/zinc/28/47/48/196284748.db2.gz RTYDCOIHVQAGKC-XDJHFCHBSA-N -1 3 320.437 2.843 20 0 DFADHM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc([O-])c1 ZINC000132825025 196286673 /nfs/dbraw/zinc/28/66/73/196286673.db2.gz NLBJUIBPOHPJRY-KRWDZBQOSA-N -1 3 310.397 2.787 20 0 DFADHM CN(C)c1cccc(CNC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000132924763 196297056 /nfs/dbraw/zinc/29/70/56/196297056.db2.gz FTGQIHYILXZVDR-UHFFFAOYSA-N -1 3 321.380 2.524 20 0 DFADHM CCN(CC)C(=O)CCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000133119388 196313725 /nfs/dbraw/zinc/31/37/25/196313725.db2.gz GKPDTBBFUZLSEE-UHFFFAOYSA-N -1 3 312.797 2.941 20 0 DFADHM CS[C@@H](C)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000133930531 196346775 /nfs/dbraw/zinc/34/67/75/196346775.db2.gz STCNWTBUXOZVNP-QMMMGPOBSA-N -1 3 318.236 2.913 20 0 DFADHM Cc1cccc(C(=O)N(CC(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC000134009031 196353121 /nfs/dbraw/zinc/35/31/21/196353121.db2.gz PTGBWKBOLBIRKQ-UHFFFAOYSA-N -1 3 307.390 2.893 20 0 DFADHM C[C@H]1CN(Cc2cc([O-])ccc2Br)CCCO1 ZINC000134160081 196366534 /nfs/dbraw/zinc/36/65/34/196366534.db2.gz NBRITVVEQPOWBS-JTQLQIEISA-N -1 3 300.196 2.766 20 0 DFADHM Cn1ccnc1-c1noc([N-]Cc2cnc(C(C)(C)C)s2)n1 ZINC000134436347 196390888 /nfs/dbraw/zinc/39/08/88/196390888.db2.gz JVHXZZWHIYKLGU-UHFFFAOYSA-N -1 3 318.406 2.836 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCc2ccccc2)c1 ZINC000055092534 425891901 /nfs/dbraw/zinc/89/19/01/425891901.db2.gz SODHLFZFZJHNFD-UHFFFAOYSA-N -1 3 312.369 2.713 20 0 DFADHM CCc1cc(C(=O)N[C@@H](CO)[C@@H](C)c2ccccc2)ccc1[O-] ZINC000667975569 543716252 /nfs/dbraw/zinc/71/62/52/543716252.db2.gz CQZBVAXBOWQQPI-GUYCJALGSA-N -1 3 313.397 2.849 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000668316167 543791567 /nfs/dbraw/zinc/79/15/67/543791567.db2.gz UVGXDIIFLNTURT-CFVMTHIKSA-N -1 3 319.430 2.660 20 0 DFADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C[C@@H](c2ccccc2)C1 ZINC000668316166 543791615 /nfs/dbraw/zinc/79/16/15/543791615.db2.gz UVGXDIIFLNTURT-AEGPPILISA-N -1 3 319.430 2.660 20 0 DFADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@@H](C)C1O ZINC000668554123 543825274 /nfs/dbraw/zinc/82/52/74/543825274.db2.gz LPUHXDPPPKUFLK-NXEZZACHSA-N -1 3 314.223 2.603 20 0 DFADHM CCOc1cc(CN2C[C@H]3COC[C@@]3(C)C2)cc(Cl)c1[O-] ZINC000668596738 543833964 /nfs/dbraw/zinc/83/39/64/543833964.db2.gz LKSDWRFXMNLCQO-BLLLJJGKSA-N -1 3 311.809 2.913 20 0 DFADHM CCOc1cc(CN2C[C@@H]3COC[C@@]3(C)C2)cc(Cl)c1[O-] ZINC000668596740 543834500 /nfs/dbraw/zinc/83/45/00/543834500.db2.gz LKSDWRFXMNLCQO-MLGOLLRUSA-N -1 3 311.809 2.913 20 0 DFADHM [O-]c1cccc(CN2CC[C@H]3COC[C@@H]3C2)c1Br ZINC000668704417 543848977 /nfs/dbraw/zinc/84/89/77/543848977.db2.gz AMZDXQRDDNMLBP-RYUDHWBXSA-N -1 3 312.207 2.623 20 0 DFADHM COc1cc(C(=O)N(C)Cc2ccc(F)c(F)c2)ccc1[O-] ZINC000442651650 297199139 /nfs/dbraw/zinc/19/91/39/297199139.db2.gz MWCMVPPGCNFAEZ-UHFFFAOYSA-N -1 3 307.296 2.951 20 0 DFADHM CCOc1cc(CN2C[C@@H](C)[C@@](C)(CO)C2)cc(Cl)c1[O-] ZINC000668736874 543856218 /nfs/dbraw/zinc/85/62/18/543856218.db2.gz IFJKEIGRCRLBMW-BDJLRTHQSA-N -1 3 313.825 2.895 20 0 DFADHM CC(C)Nc1cc(F)ccc1NC(=O)Cc1cncc([O-])c1 ZINC000669072254 543904129 /nfs/dbraw/zinc/90/41/29/543904129.db2.gz ALGHAVIZOJOVMT-UHFFFAOYSA-N -1 3 303.337 2.928 20 0 DFADHM O=C(Cc1cncc([O-])c1)Nc1ccc(F)cc1OCC1CC1 ZINC000669088866 543906497 /nfs/dbraw/zinc/90/64/97/543906497.db2.gz MBBIFPRRPLNDIN-UHFFFAOYSA-N -1 3 316.332 2.896 20 0 DFADHM CC(=O)c1ccc(C(=O)NC2(C(F)(F)F)CCC2)cc1[O-] ZINC000669333065 543934461 /nfs/dbraw/zinc/93/44/61/543934461.db2.gz KMHFDIACTVPVMH-UHFFFAOYSA-N -1 3 301.264 2.810 20 0 DFADHM Cc1cc(C(=O)N2CCCC2)ccc1NC([O-])=NOC(C)C ZINC000296584338 226019741 /nfs/dbraw/zinc/01/97/41/226019741.db2.gz WLRRBNNJRBLWTG-UHFFFAOYSA-N -1 3 305.378 2.693 20 0 DFADHM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[N-]OC(C)C ZINC000296584338 226019745 /nfs/dbraw/zinc/01/97/45/226019745.db2.gz WLRRBNNJRBLWTG-UHFFFAOYSA-N -1 3 305.378 2.693 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)c([O-])c1 ZINC000671434715 544069887 /nfs/dbraw/zinc/06/98/87/544069887.db2.gz WYWTYAFBXLMBOV-CJNGLKHVSA-N -1 3 315.373 2.541 20 0 DFADHM Cc1nnc([N-]C(=O)c2ncoc2-c2ccccc2)n1C1CC1 ZINC000671596944 544088819 /nfs/dbraw/zinc/08/88/19/544088819.db2.gz QJYNHBPBJVJJHC-UHFFFAOYSA-N -1 3 309.329 2.829 20 0 DFADHM CC(C)OCCO[N-]C(=O)/C=C\c1ccccc1OC(F)F ZINC000493785349 299828525 /nfs/dbraw/zinc/82/85/25/299828525.db2.gz HQUQGKIFKXPIDS-FPLPWBNLSA-N -1 3 315.316 2.774 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)NC(C)(C)C(F)F)c[n-]c12 ZINC000672260962 544131684 /nfs/dbraw/zinc/13/16/84/544131684.db2.gz DRNYVEYJISKFNH-UHFFFAOYSA-N -1 3 312.291 2.749 20 0 DFADHM Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)c([O-])c1C ZINC000672183334 544126766 /nfs/dbraw/zinc/12/67/66/544126766.db2.gz RQYPVIIRUQVYIX-SKDRFNHKSA-N -1 3 317.307 2.801 20 0 DFADHM CCN1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H](C)C1 ZINC000672189478 544127762 /nfs/dbraw/zinc/12/77/62/544127762.db2.gz JWESPOUTABZPEV-SNVBAGLBSA-N -1 3 316.323 2.577 20 0 DFADHM O=S(=O)([N-]CCC1=CCCC1)c1cnccc1C(F)(F)F ZINC000442735194 297203610 /nfs/dbraw/zinc/20/36/10/297203610.db2.gz IGFVGZUUBWIOQK-UHFFFAOYSA-N -1 3 320.336 2.879 20 0 DFADHM O=C(CCc1ccc2ccccc2c1)NCCCc1cc(=O)[nH][n-]1 ZINC000673543759 544184073 /nfs/dbraw/zinc/18/40/73/544184073.db2.gz GQWQUDCVLICOGD-UHFFFAOYSA-N -1 3 323.396 2.545 20 0 DFADHM CN(C)C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000673341001 544175877 /nfs/dbraw/zinc/17/58/77/544175877.db2.gz IJFHGBQQYXWMHN-OAHLLOKOSA-N -1 3 320.339 2.703 20 0 DFADHM C[C@H]1CCN(C(=O)c2cnn3ncccc23)c2c([O-])cccc21 ZINC000434253484 296931464 /nfs/dbraw/zinc/93/14/64/296931464.db2.gz KLKDPFIVLKPXDQ-NSHDSACASA-N -1 3 308.341 2.589 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCCc2cn3cccc(C)c3n2)c1 ZINC000673724248 544193899 /nfs/dbraw/zinc/19/38/99/544193899.db2.gz JXNBWEZUMQLYBV-UHFFFAOYSA-N -1 3 309.369 2.629 20 0 DFADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(F)c2)[C@H]1[C@H]1CCCO1 ZINC000291110521 222144841 /nfs/dbraw/zinc/14/48/41/222144841.db2.gz UXLVMACYPGXKIC-CABCVRRESA-N -1 3 322.380 2.630 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@H](n2cccn2)C1 ZINC000291198134 222215726 /nfs/dbraw/zinc/21/57/26/222215726.db2.gz LWGLHYDPDCEJTH-OAHLLOKOSA-N -1 3 311.385 2.555 20 0 DFADHM COCCC1(C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000291346374 222328791 /nfs/dbraw/zinc/32/87/91/222328791.db2.gz XANDXMIFDUNLQJ-UHFFFAOYSA-N -1 3 303.402 2.770 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(F)c2)c[nH]1 ZINC000673820749 544200738 /nfs/dbraw/zinc/20/07/38/544200738.db2.gz SLJICQLVWCJNPM-STQMWFEESA-N -1 3 323.393 2.507 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(F)c2)c[nH]1 ZINC000673820743 544200835 /nfs/dbraw/zinc/20/08/35/544200835.db2.gz SLJICQLVWCJNPM-CHWSQXEVSA-N -1 3 323.393 2.507 20 0 DFADHM C[C@@H](C(=O)Nc1c([O-])cccc1F)N(C)Cc1ccccc1 ZINC000673911220 544207551 /nfs/dbraw/zinc/20/75/51/544207551.db2.gz OIZHWPYEDAVOPQ-LBPRGKRZSA-N -1 3 302.349 2.990 20 0 DFADHM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000674015043 544214327 /nfs/dbraw/zinc/21/43/27/544214327.db2.gz HOTLHVFSTPIYBF-LBPRGKRZSA-N -1 3 308.353 2.507 20 0 DFADHM CCc1cccc(C(=O)NC[C@@H]2OCCc3ccccc32)c1[O-] ZINC000674362027 544235565 /nfs/dbraw/zinc/23/55/65/544235565.db2.gz ZQJRYRRNLRDUGH-KRWDZBQOSA-N -1 3 311.381 2.998 20 0 DFADHM Cn1ncc2c1nc(CN(CC1CCC1)c1ccccc1)[n-]c2=O ZINC000674505461 544242737 /nfs/dbraw/zinc/24/27/37/544242737.db2.gz IDICCGHLFKHXGT-UHFFFAOYSA-N -1 3 323.400 2.876 20 0 DFADHM CC(C)[C@H](CO)O[N-]C(=O)/C=C/Sc1cc(F)ccc1F ZINC000493844840 299839849 /nfs/dbraw/zinc/83/98/49/299839849.db2.gz CKQJEEJNOSFAFX-FYJFLYSWSA-N -1 3 317.357 2.635 20 0 DFADHM CCc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)no1 ZINC000676158921 544360470 /nfs/dbraw/zinc/36/04/70/544360470.db2.gz RGLWJVLRWGDRAQ-UHFFFAOYSA-N -1 3 315.304 2.778 20 0 DFADHM C[C@@H]1COCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000676713599 544395406 /nfs/dbraw/zinc/39/54/06/544395406.db2.gz JGGXGEBEEYGLNM-LLVKDONJSA-N -1 3 313.357 2.692 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1Cc2ccccc2C(F)(F)C1 ZINC000676394799 544374255 /nfs/dbraw/zinc/37/42/55/544374255.db2.gz FWSCNZIFBVKBNY-UHFFFAOYSA-N -1 3 314.295 2.706 20 0 DFADHM Cc1sc(N=c2ncnc3[nH][n-]cc2-3)nc1-c1ccccc1 ZINC000677001803 544420211 /nfs/dbraw/zinc/42/02/11/544420211.db2.gz YMVKHHXYOAOCIH-UHFFFAOYSA-N -1 3 308.370 2.902 20 0 DFADHM CCC[C@H](O)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000677591609 544509120 /nfs/dbraw/zinc/50/91/20/544509120.db2.gz SPAZJPJLBCLRBG-VIFPVBQESA-N -1 3 302.168 2.644 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC12CCOCC2 ZINC000373510515 304499490 /nfs/dbraw/zinc/49/94/90/304499490.db2.gz TVSPIQFZEGTSLE-UHFFFAOYSA-N -1 3 315.291 2.806 20 0 DFADHM CC[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCOC1 ZINC000682938585 545944501 /nfs/dbraw/zinc/94/45/01/545944501.db2.gz WHUREVZIOLLNRN-GFCCVEGCSA-N -1 3 324.229 2.841 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC000678315300 544650069 /nfs/dbraw/zinc/65/00/69/544650069.db2.gz PRYLFVFLXHAVPI-NOZJJQNGSA-N -1 3 317.307 2.746 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2cnccc2C)c1 ZINC000678358046 544658511 /nfs/dbraw/zinc/65/85/11/544658511.db2.gz SBZLEFTVCPHVRO-GFCCVEGCSA-N -1 3 308.378 2.877 20 0 DFADHM Cc1ccncc1[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000678417081 544669758 /nfs/dbraw/zinc/66/97/58/544669758.db2.gz CQJVOWKIBQFUFM-LBPRGKRZSA-N -1 3 307.353 2.723 20 0 DFADHM CC(C)[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)N1CCCCC1 ZINC000678933461 544752437 /nfs/dbraw/zinc/75/24/37/544752437.db2.gz XUVOSXBNLRFRNX-INIZCTEOSA-N -1 3 318.417 2.512 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000679251531 544813853 /nfs/dbraw/zinc/81/38/53/544813853.db2.gz CGKJMRNDZRUMDQ-ONGXEEELSA-N -1 3 309.385 2.608 20 0 DFADHM Cc1cc(C(=O)N2CCc3cnc(C(C)C)nc3C2)ccc1[O-] ZINC000679410219 544852330 /nfs/dbraw/zinc/85/23/30/544852330.db2.gz CDXCQLHRRHCLBX-UHFFFAOYSA-N -1 3 311.385 2.813 20 0 DFADHM CC(C)c1cnc(CN(C)[C@H]2CCN(CCCCC(=O)[O-])C2)o1 ZINC000680019071 544944498 /nfs/dbraw/zinc/94/44/98/544944498.db2.gz SZLWDNYNDVUPFU-AWEZNQCLSA-N -1 3 323.437 2.559 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@@H](C)C2)c1 ZINC000055488369 425893870 /nfs/dbraw/zinc/89/38/70/425893870.db2.gz VBGPIHHYILTOEU-DGCLKSJQSA-N -1 3 304.390 2.907 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)cc1 ZINC000055619156 425894223 /nfs/dbraw/zinc/89/42/23/425894223.db2.gz PDSURDYPRSUCAN-UHFFFAOYSA-N -1 3 311.334 2.644 20 0 DFADHM Cc1ccc(NC(=O)CNC(=O)OCc2ccccc2)c([O-])c1 ZINC000063465251 425900493 /nfs/dbraw/zinc/90/04/93/425900493.db2.gz SZQQGGHRNNMLRB-UHFFFAOYSA-N -1 3 314.341 2.566 20 0 DFADHM CCCCC1CCC(NC(=O)Cc2c(C)nc(C)[n-]c2=O)CC1 ZINC000067831477 425913641 /nfs/dbraw/zinc/91/36/41/425913641.db2.gz UOEFVQPAGJFRFK-UHFFFAOYSA-N -1 3 319.449 2.794 20 0 DFADHM Cc1nc(C)c(CC(=O)N(C)c2cccc(C(C)C)c2)c(=O)[n-]1 ZINC000067831793 425913771 /nfs/dbraw/zinc/91/37/71/425913771.db2.gz XLGBEPOVTAQVRE-UHFFFAOYSA-N -1 3 313.401 2.716 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccccn3)nc2)n1 ZINC000068658802 425919075 /nfs/dbraw/zinc/91/90/75/425919075.db2.gz SVWMIFZMTSKBHF-GFCCVEGCSA-N -1 3 321.384 2.962 20 0 DFADHM O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCCc2cccc([O-])c21 ZINC000155610811 425922461 /nfs/dbraw/zinc/92/24/61/425922461.db2.gz LVXWGZQTCSNYHL-CQSZACIVSA-N -1 3 322.364 2.797 20 0 DFADHM O=C(Cc1ccc(F)cc1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000102823931 425928141 /nfs/dbraw/zinc/92/81/41/425928141.db2.gz VMYVJVARUZMPHB-UHFFFAOYSA-N -1 3 314.295 2.931 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2scnc2C)c([O-])c1 ZINC000124776865 425937368 /nfs/dbraw/zinc/93/73/68/425937368.db2.gz VIFAQLMDYBTLEX-UHFFFAOYSA-N -1 3 306.343 2.586 20 0 DFADHM COc1ccccc1C=CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020501896 267381601 /nfs/dbraw/zinc/38/16/01/267381601.db2.gz NVNDGNWULRLOSH-MDZDMXLPSA-N -1 3 321.340 2.527 20 0 DFADHM COc1ccccc1C=CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020501896 267381607 /nfs/dbraw/zinc/38/16/07/267381607.db2.gz NVNDGNWULRLOSH-MDZDMXLPSA-N -1 3 321.340 2.527 20 0 DFADHM C[C@H](Cc1cccs1)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000025300612 267387676 /nfs/dbraw/zinc/38/76/76/267387676.db2.gz FBULIZKETMXNCU-LLVKDONJSA-N -1 3 312.394 2.951 20 0 DFADHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1[O-] ZINC000027497935 267392068 /nfs/dbraw/zinc/39/20/68/267392068.db2.gz MKSSNBGZNLLVMR-HNNXBMFYSA-N -1 3 314.385 2.942 20 0 DFADHM Cc1cc([N-]C(=O)COc2ccccc2Br)on1 ZINC000031671235 267399309 /nfs/dbraw/zinc/39/93/09/267399309.db2.gz UFUFBNDPPVTKFA-UHFFFAOYSA-N -1 3 311.135 2.763 20 0 DFADHM Cc1cnc(C[N-]S(=O)(=O)c2cccc(Cl)c2)s1 ZINC000074880864 267427851 /nfs/dbraw/zinc/42/78/51/267427851.db2.gz QQNNWFWIBGBLFZ-UHFFFAOYSA-N -1 3 302.808 2.583 20 0 DFADHM Cc1[nH]c2ccc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)cc2c1C ZINC000176054761 267606220 /nfs/dbraw/zinc/60/62/20/267606220.db2.gz MIFRQUFELUKBIE-UHFFFAOYSA-N -1 3 312.329 2.547 20 0 DFADHM CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000177284074 267636363 /nfs/dbraw/zinc/63/63/63/267636363.db2.gz AUMJSEADSAMSDJ-IINYFYTJSA-N -1 3 314.382 2.572 20 0 DFADHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 ZINC000007401963 425641771 /nfs/dbraw/zinc/64/17/71/425641771.db2.gz WVZPDLLOGHBAGS-UHFFFAOYSA-N -1 3 323.345 2.788 20 0 DFADHM O=C(NCCC1=CCCCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000185721120 267801445 /nfs/dbraw/zinc/80/14/45/267801445.db2.gz WTNDBTPBXFGHLY-UHFFFAOYSA-N -1 3 312.369 2.581 20 0 DFADHM COc1cc(C)c(NC(=O)/C=C/c2cncc([O-])c2)cc1F ZINC000186062365 267807080 /nfs/dbraw/zinc/80/70/80/267807080.db2.gz JRCRQFZQQFFHCD-ONEGZZNKSA-N -1 3 302.305 2.895 20 0 DFADHM CCOCCO[N-]C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 ZINC000186949635 267837136 /nfs/dbraw/zinc/83/71/36/267837136.db2.gz 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/nfs/dbraw/zinc/84/50/90/425845090.db2.gz PSGRYGMBVORBHU-UHFFFAOYSA-N -1 3 324.229 2.577 20 0 DFADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000044257665 425855811 /nfs/dbraw/zinc/85/58/11/425855811.db2.gz OBQLCLACSAKEAB-DTWKUNHWSA-N -1 3 321.240 2.557 20 0 DFADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(F)cc1Br ZINC000044622373 425857510 /nfs/dbraw/zinc/85/75/10/425857510.db2.gz MUZKNFZXGZGECV-NSHDSACASA-N -1 3 304.159 2.883 20 0 DFADHM Cc1noc([N-]C(=O)c2cccc(Br)c2F)n1 ZINC000191957215 268020750 /nfs/dbraw/zinc/02/07/50/268020750.db2.gz PBRYUDVYVRCPHI-UHFFFAOYSA-N -1 3 300.087 2.532 20 0 DFADHM CCCn1ccnc1CCCN(C)C(=O)c1ccccc1[O-] ZINC000192258588 268028105 /nfs/dbraw/zinc/02/81/05/268028105.db2.gz IXCGUPVCUCNHKV-UHFFFAOYSA-N -1 3 301.390 2.704 20 0 DFADHM Nc1c(Cl)cc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1Cl ZINC000192312474 268030297 /nfs/dbraw/zinc/03/02/97/268030297.db2.gz PXLASFWNQWPOQX-SSDOTTSWSA-N -1 3 320.176 2.665 20 0 DFADHM CCO[C@H](CNC(=O)/C=C/c1cncc([O-])c1)c1ccccc1 ZINC000192792165 268048585 /nfs/dbraw/zinc/04/85/85/268048585.db2.gz LCJYGEJXRYNYOQ-KBOKABMXSA-N -1 3 312.369 2.694 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2c[nH]c3cc(F)ccc23)n[n-]1 ZINC000192980711 268056089 /nfs/dbraw/zinc/05/60/89/268056089.db2.gz JSGLTIQDAWLMFT-UHFFFAOYSA-N -1 3 324.319 2.683 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2c[nH]c3cc(F)ccc23)[n-]n1 ZINC000192980711 268056090 /nfs/dbraw/zinc/05/60/90/268056090.db2.gz JSGLTIQDAWLMFT-UHFFFAOYSA-N -1 3 324.319 2.683 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)c([O-])c1 ZINC000193408350 268068552 /nfs/dbraw/zinc/06/85/52/268068552.db2.gz XYIXPKXXSNENBI-NSHDSACASA-N -1 3 310.353 2.686 20 0 DFADHM COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000193507577 268070451 /nfs/dbraw/zinc/07/04/51/268070451.db2.gz NUEKLUIEYDWKQI-VIFPVBQESA-N -1 3 305.305 2.737 20 0 DFADHM COc1cccc([C@@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000193616682 268074068 /nfs/dbraw/zinc/07/40/68/268074068.db2.gz IJJOEHNKMAICOM-SNVBAGLBSA-N -1 3 312.329 2.816 20 0 DFADHM COc1cccc([C@@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000193616682 268074069 /nfs/dbraw/zinc/07/40/69/268074069.db2.gz IJJOEHNKMAICOM-SNVBAGLBSA-N -1 3 312.329 2.816 20 0 DFADHM COc1cccc([C@@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000193616682 268074072 /nfs/dbraw/zinc/07/40/72/268074072.db2.gz IJJOEHNKMAICOM-SNVBAGLBSA-N -1 3 312.329 2.816 20 0 DFADHM C[C@H](CNC(=O)c1ccc2n[n-]nc2c1)COCc1ccccc1 ZINC000193713471 268077742 /nfs/dbraw/zinc/07/77/42/268077742.db2.gz HMPJJNQQMLAWIL-CYBMUJFWSA-N -1 3 324.384 2.541 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc2ccccc2o1 ZINC000047343253 425869388 /nfs/dbraw/zinc/86/93/88/425869388.db2.gz WETXIFDFMLIJEM-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc2ccccc2o1 ZINC000047343253 425869389 /nfs/dbraw/zinc/86/93/89/425869389.db2.gz WETXIFDFMLIJEM-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000233962766 268147634 /nfs/dbraw/zinc/14/76/34/268147634.db2.gz 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/nfs/dbraw/zinc/19/57/81/268195781.db2.gz MGHWEIYELXVFMM-UHFFFAOYSA-N -1 3 301.375 2.736 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)c([O-])c1 ZINC000270726741 268207830 /nfs/dbraw/zinc/20/78/30/268207830.db2.gz MDTLUBUCJOQRMU-ZWNOBZJWSA-N -1 3 319.357 2.513 20 0 DFADHM Cc1ccc([C@H](O)C[N-]C(=O)C(F)(F)c2ccccc2F)o1 ZINC000270835077 268224533 /nfs/dbraw/zinc/22/45/33/268224533.db2.gz HDPYBXIRNFTTLC-GFCCVEGCSA-N -1 3 313.275 2.669 20 0 DFADHM CC[C@@H](C)[C@H](O)C(=O)Nc1cc(Br)ccc1[O-] ZINC000270974996 268243460 /nfs/dbraw/zinc/24/34/60/268243460.db2.gz CGKDJWKFRKBLAN-HQJQHLMTSA-N -1 3 302.168 2.500 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c([O-])c1C ZINC000271233463 268248222 /nfs/dbraw/zinc/24/82/22/268248222.db2.gz DSDUSQOZYVUIJE-RDTXWAMCSA-N -1 3 303.402 2.776 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)C(=O)N2CCC[C@@H](C)C2)c1[O-] ZINC000274593136 268257604 /nfs/dbraw/zinc/25/76/04/268257604.db2.gz JMAXGOIHRXWFLI-SECBINFHSA-N -1 3 310.781 2.551 20 0 DFADHM COC(=O)c1cc(NC([O-])=NOCCSC)c(C)cc1C ZINC000281056994 268270412 /nfs/dbraw/zinc/27/04/12/268270412.db2.gz PEJADGHNICHWAU-UHFFFAOYSA-N -1 3 312.391 2.506 20 0 DFADHM COC(=O)c1cc(NC(=O)[N-]OCCSC)c(C)cc1C ZINC000281056994 268270413 /nfs/dbraw/zinc/27/04/13/268270413.db2.gz PEJADGHNICHWAU-UHFFFAOYSA-N -1 3 312.391 2.506 20 0 DFADHM Cc1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000048672773 425876899 /nfs/dbraw/zinc/87/68/99/425876899.db2.gz YXVFTEDHIMXVTA-UHFFFAOYSA-N -1 3 314.769 2.661 20 0 DFADHM C[C@@H](CO)N(Cc1nc(=O)c2sccc2[n-]1)C1CCCC1 ZINC000298624122 268315080 /nfs/dbraw/zinc/31/50/80/268315080.db2.gz VEPCHXNLUADJGC-JTQLQIEISA-N -1 3 307.419 2.522 20 0 DFADHM CC[C@H](CCO)CNCc1cccc([O-])c1Br ZINC000315091907 268342324 /nfs/dbraw/zinc/34/23/24/268342324.db2.gz VLIHWQAIDSTVGW-SNVBAGLBSA-N -1 3 302.212 2.653 20 0 DFADHM CC1(NCc2cccc([O-])c2Br)CCOCC1 ZINC000315625969 268343638 /nfs/dbraw/zinc/34/36/38/268343638.db2.gz UCZNVMJIPZRCAH-UHFFFAOYSA-N -1 3 300.196 2.813 20 0 DFADHM CC[C@](C)(CCO)NCc1cccc([O-])c1Br ZINC000314950869 268342090 /nfs/dbraw/zinc/34/20/90/268342090.db2.gz CEWUKHORRQZRIP-CYBMUJFWSA-N -1 3 302.212 2.795 20 0 DFADHM [O-]c1cccc(CNC[C@H]2CCCC[C@@H]2O)c1Br ZINC000315495047 268343066 /nfs/dbraw/zinc/34/30/66/268343066.db2.gz BQJNCFHZUDZBOE-PWSUYJOCSA-N -1 3 314.223 2.795 20 0 DFADHM CC(C)(C)[C@@H](O)CNCc1cccc([O-])c1Br ZINC000315530556 268343068 /nfs/dbraw/zinc/34/30/68/268343068.db2.gz GFZXNEOXNFUUSF-NSHDSACASA-N -1 3 302.212 2.651 20 0 DFADHM [O-]c1cccc(CNCCc2cscn2)c1Br ZINC000315595872 268343415 /nfs/dbraw/zinc/34/34/15/268343415.db2.gz QFMKPURXTXMIIB-UHFFFAOYSA-N -1 3 313.220 2.944 20 0 DFADHM COC[C@@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000315630907 268343795 /nfs/dbraw/zinc/34/37/95/268343795.db2.gz KPXSVKORGWHDLE-SNVBAGLBSA-N -1 3 300.196 2.623 20 0 DFADHM [O-]c1cccc(CN2CCO[C@H]3CCC[C@H]32)c1Br ZINC000315679258 268344111 /nfs/dbraw/zinc/34/41/11/268344111.db2.gz PWPFSDWKFGEVTC-YPMHNXCESA-N -1 3 312.207 2.908 20 0 DFADHM CCN(Cc1cccc([O-])c1Br)[C@H]1CCOC1 ZINC000315634671 268344243 /nfs/dbraw/zinc/34/42/43/268344243.db2.gz LBARNBMNPBNTNP-NSHDSACASA-N -1 3 300.196 2.766 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2CCCc3cc(N)ccc32)c1[O-] ZINC000322384762 268349245 /nfs/dbraw/zinc/34/92/45/268349245.db2.gz KXSOIJCSVBVIRF-OAHLLOKOSA-N -1 3 312.369 2.790 20 0 DFADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccccc2[O-])C1 ZINC000323632571 268350382 /nfs/dbraw/zinc/35/03/82/268350382.db2.gz FHUKWZQWQNJDKX-MRXNPFEDSA-N -1 3 324.424 2.986 20 0 DFADHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000330629866 268353719 /nfs/dbraw/zinc/35/37/19/268353719.db2.gz BVJMVEYFLJYLMD-UWVGGRQHSA-N -1 3 321.801 2.573 20 0 DFADHM CCC(C)(C)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000331229180 268355847 /nfs/dbraw/zinc/35/58/47/268355847.db2.gz FZKPPNXYPYDTQY-UHFFFAOYSA-N -1 3 318.417 2.549 20 0 DFADHM O=C(N[C@@H]1CCCc2c[nH]nc21)c1ccc2c(c1[O-])CCCC2 ZINC000333087560 268373789 /nfs/dbraw/zinc/37/37/89/268373789.db2.gz RXBGPOUIXDRSKY-OAHLLOKOSA-N 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323.356 2.908 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@H](c2ccccc2)C2CC2)n[n-]1 ZINC000130436617 426159101 /nfs/dbraw/zinc/15/91/01/426159101.db2.gz GXKMEEJKCPVMPQ-MRXNPFEDSA-N -1 3 321.384 2.943 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@H](c2ccccc2)C2CC2)[n-]n1 ZINC000130436617 426159103 /nfs/dbraw/zinc/15/91/03/426159103.db2.gz GXKMEEJKCPVMPQ-MRXNPFEDSA-N -1 3 321.384 2.943 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c([O-])c1C ZINC000130453044 426160485 /nfs/dbraw/zinc/16/04/85/426160485.db2.gz COHYCRFMSVZRBG-CXAGYDPISA-N -1 3 321.442 2.794 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2[nH]c(C)cc2C)c([O-])c1 ZINC000133491303 426179455 /nfs/dbraw/zinc/17/94/55/426179455.db2.gz IUBPKEPAPMEHDK-UHFFFAOYSA-N -1 3 302.330 2.766 20 0 DFADHM O=C(NC1CCOCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000171263293 426180547 /nfs/dbraw/zinc/18/05/47/426180547.db2.gz VYTZVCRURBVUIX-UHFFFAOYSA-N -1 3 311.381 2.892 20 0 DFADHM CCCn1c(=O)[n-]nc1SCc1c(C)nc2ccccn21 ZINC000133588106 426182896 /nfs/dbraw/zinc/18/28/96/426182896.db2.gz 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/nfs/dbraw/zinc/22/27/42/426222742.db2.gz FIMVOPZBZSJNFL-UHFFFAOYSA-N -1 3 307.357 2.660 20 0 DFADHM Cc1cc(C)cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000135565234 426222746 /nfs/dbraw/zinc/22/27/46/426222746.db2.gz FIMVOPZBZSJNFL-UHFFFAOYSA-N -1 3 307.357 2.660 20 0 DFADHM C[C@@H](CNC(=O)c1ccc(O)cc1[O-])Oc1ccccc1Cl ZINC000172868066 426231526 /nfs/dbraw/zinc/23/15/26/426231526.db2.gz MOQIHTIZTDWSPR-JTQLQIEISA-N -1 3 321.760 2.949 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@H]1Cc2ccccc2O1 ZINC000136148010 426235501 /nfs/dbraw/zinc/23/55/01/426235501.db2.gz VZULVLDGCZLVLG-CQSZACIVSA-N -1 3 317.772 2.708 20 0 DFADHM CN(C)c1nc(C(=O)Nc2ccc(F)c(C3CC3)c2)cc(=O)[n-]1 ZINC000338918313 268740221 /nfs/dbraw/zinc/74/02/21/268740221.db2.gz FEECKLBZVOOPRS-UHFFFAOYSA-N -1 3 316.336 2.517 20 0 DFADHM Cc1nccn1CCCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000136301784 426239416 /nfs/dbraw/zinc/23/94/16/426239416.db2.gz MELAGUUKADKWGK-UHFFFAOYSA-N -1 3 321.808 2.690 20 0 DFADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000084640528 426241544 /nfs/dbraw/zinc/24/15/44/426241544.db2.gz KEELMUANEFAMFW-LBPRGKRZSA-N -1 3 323.356 2.520 20 0 DFADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000084640528 426241547 /nfs/dbraw/zinc/24/15/47/426241547.db2.gz KEELMUANEFAMFW-LBPRGKRZSA-N -1 3 323.356 2.520 20 0 DFADHM COc1cc(NC(=O)c2cccc([O-])c2)cc(OC)c1OC ZINC000084831161 426245597 /nfs/dbraw/zinc/24/55/97/426245597.db2.gz XQOSHEQZSJACEI-UHFFFAOYSA-N -1 3 303.314 2.670 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)c1cncc(Br)c1 ZINC000085203847 426247295 /nfs/dbraw/zinc/24/72/95/426247295.db2.gz IBPQQSHGLBKSTO-UHFFFAOYSA-N -1 3 311.110 2.941 20 0 DFADHM COc1cccc(F)c1[C@@H](C)N[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000174228344 426253151 /nfs/dbraw/zinc/25/31/51/426253151.db2.gz ANQSIASFMQWWMS-GHMZBOCLSA-N -1 3 321.352 2.809 20 0 DFADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000174382378 426254998 /nfs/dbraw/zinc/25/49/98/426254998.db2.gz HHVCBJFQJCBBKF-NXEZZACHSA-N -1 3 324.343 2.748 20 0 DFADHM CCC(CC)[C@H]1C[C@@H](NC(=O)c2cccc3nn[n-]c32)CCO1 ZINC000119132256 426264507 /nfs/dbraw/zinc/26/45/07/426264507.db2.gz SGJSUOGCCFWBIZ-SWLSCSKDSA-N -1 3 316.405 2.672 20 0 DFADHM CCC(CC)[C@H]1C[C@@H](NC(=O)c2cccc3[n-]nnc32)CCO1 ZINC000119132256 426264509 /nfs/dbraw/zinc/26/45/09/426264509.db2.gz SGJSUOGCCFWBIZ-SWLSCSKDSA-N -1 3 316.405 2.672 20 0 DFADHM CCC(CC)[C@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc32)CCO1 ZINC000119132256 426264512 /nfs/dbraw/zinc/26/45/12/426264512.db2.gz SGJSUOGCCFWBIZ-SWLSCSKDSA-N -1 3 316.405 2.672 20 0 DFADHM O=C(NCc1nnc(-c2ccccc2)s1)c1ccccc1[O-] ZINC000150883616 426266565 /nfs/dbraw/zinc/26/65/65/426266565.db2.gz AIBXQYGZUCHJFF-UHFFFAOYSA-N -1 3 311.366 2.841 20 0 DFADHM CCOCCC1(CNC(=O)c2cccc(OC)c2[O-])CCC1 ZINC000150986008 426270922 /nfs/dbraw/zinc/27/09/22/426270922.db2.gz CZDZPBMSEHOUNX-UHFFFAOYSA-N -1 3 307.390 2.728 20 0 DFADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)c2cccs2)c1 ZINC000174963268 426271720 /nfs/dbraw/zinc/27/17/20/426271720.db2.gz FJDCXHDAZVQRMV-NSHDSACASA-N -1 3 313.448 2.640 20 0 DFADHM COc1cccc(C(=O)NCCc2ccc(F)cc2C)c1[O-] ZINC000087406268 426272374 /nfs/dbraw/zinc/27/23/74/426272374.db2.gz TWTPDJHUKXXAPB-UHFFFAOYSA-N -1 3 303.333 2.821 20 0 DFADHM CC[C@H]1c2cccn2CCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000151026158 426273236 /nfs/dbraw/zinc/27/32/36/426273236.db2.gz CJDDNXWJQAXJMK-INIZCTEOSA-N -1 3 321.380 2.937 20 0 DFADHM CCN(C(=O)c1ccccc1[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000117145867 426207096 /nfs/dbraw/zinc/20/70/96/426207096.db2.gz TZDMBAKQHVRGCK-MRXNPFEDSA-N -1 3 324.380 2.660 20 0 DFADHM COCc1cc(C(=O)[N-]c2nc(-c3ccc[nH]3)cs2)no1 ZINC000079946206 426207771 /nfs/dbraw/zinc/20/77/71/426207771.db2.gz IMROMPRHVJTBAE-UHFFFAOYSA-N -1 3 304.331 2.525 20 0 DFADHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccccn1 ZINC000135339483 426214359 /nfs/dbraw/zinc/21/43/59/426214359.db2.gz KXDWEJYWIKYJGP-NSHDSACASA-N -1 3 312.369 2.992 20 0 DFADHM CC(C)[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000117398885 426214705 /nfs/dbraw/zinc/21/47/05/426214705.db2.gz YUVMVYBAGYMDBW-CQSZACIVSA-N -1 3 315.373 2.613 20 0 DFADHM CS[C@@H]1CCC[C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC000117427335 426214979 /nfs/dbraw/zinc/21/49/79/426214979.db2.gz VLOAFVRDHUVLLL-WCQYABFASA-N -1 3 322.430 2.755 20 0 DFADHM CCc1onc(C)c1[N-]C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000089392108 426288105 /nfs/dbraw/zinc/28/81/05/426288105.db2.gz XXIDHWBKLNRKKP-UHFFFAOYSA-N -1 3 317.374 2.655 20 0 DFADHM CCc1onc(C)c1[N-]C(=O)c1ccccc1S(=O)(=O)CC ZINC000089395165 426288455 /nfs/dbraw/zinc/28/84/55/426288455.db2.gz BZMRGWZKCTZARX-UHFFFAOYSA-N -1 3 322.386 2.591 20 0 DFADHM C[C@@H]1CCC[C@H](CC(=O)Nc2cc(-c3nccn3C)[n-]n2)C1 ZINC000119539650 426296178 /nfs/dbraw/zinc/29/61/78/426296178.db2.gz CATYVBLTGQATQG-NEPJUHHUSA-N -1 3 301.394 2.965 20 0 DFADHM C[C@@H]1CCC[C@H](CC(=O)Nc2cc(-c3nccn3C)n[n-]2)C1 ZINC000119539650 426296180 /nfs/dbraw/zinc/29/61/80/426296180.db2.gz CATYVBLTGQATQG-NEPJUHHUSA-N -1 3 301.394 2.965 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CC2(Cl)Cl)c([O-])c1 ZINC000089543879 426296525 /nfs/dbraw/zinc/29/65/25/426296525.db2.gz MSHILCBFSLVQQN-QMMMGPOBSA-N -1 3 318.156 2.701 20 0 DFADHM O=C([N-]c1c(F)cc(F)cc1F)c1cc(-n2cccn2)ccn1 ZINC000175319132 426296814 /nfs/dbraw/zinc/29/68/14/426296814.db2.gz SJLBUJDAFNXTSF-UHFFFAOYSA-N -1 3 318.258 2.937 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000151491480 426299155 /nfs/dbraw/zinc/29/91/55/426299155.db2.gz HLCLXUFFSJBUTM-KRWDZBQOSA-N -1 3 313.353 2.620 20 0 DFADHM CC[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151505955 426299698 /nfs/dbraw/zinc/29/96/98/426299698.db2.gz FSWHKSVFKJFGQM-MRVPVSSYSA-N -1 3 301.184 2.752 20 0 DFADHM CS[C@H](C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151570325 426301553 /nfs/dbraw/zinc/30/15/53/426301553.db2.gz HBCPLRDBRTXDQF-SSDOTTSWSA-N -1 3 304.209 2.522 20 0 DFADHM O=S(=O)([N-]CCc1cc(F)ccc1F)c1ccccc1F ZINC000175406797 426303173 /nfs/dbraw/zinc/30/31/73/426303173.db2.gz SFVCQRUJLUCBPB-UHFFFAOYSA-N -1 3 315.316 2.625 20 0 DFADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000175452040 426305639 /nfs/dbraw/zinc/30/56/39/426305639.db2.gz LCDGIUFVUGMLAV-WMLDXEAASA-N -1 3 307.390 2.676 20 0 DFADHM COc1ccc(C(=O)N(C)[C@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1 ZINC000175451482 426306145 /nfs/dbraw/zinc/30/61/45/426306145.db2.gz ZRTIUSPGWNPLTD-WMLDXEAASA-N -1 3 307.390 2.676 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000175471950 426307208 /nfs/dbraw/zinc/30/72/08/426307208.db2.gz UQNNELDLIBRCAB-ZDUSSCGKSA-N -1 3 319.401 2.758 20 0 DFADHM CN(C)[C@@H](CNC(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC000120269709 426308527 /nfs/dbraw/zinc/30/85/27/426308527.db2.gz RASPGLWMNMLMLM-AWEZNQCLSA-N -1 3 320.339 2.703 20 0 DFADHM COc1cccc(C(=O)NCCOc2ccccc2Cl)c1[O-] ZINC000120314341 426309445 /nfs/dbraw/zinc/30/94/45/426309445.db2.gz IYPSIVCRUXTNKC-UHFFFAOYSA-N -1 3 321.760 2.863 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000120571297 426312354 /nfs/dbraw/zinc/31/23/54/426312354.db2.gz YXCCRDGQXNWVNY-GMTAPVOTSA-N -1 3 303.449 2.860 20 0 DFADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2[nH]ccc2c1 ZINC000120711213 426315018 /nfs/dbraw/zinc/31/50/18/426315018.db2.gz NALTWTMNRYJHSF-UHFFFAOYSA-N -1 3 318.340 2.524 20 0 DFADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2[nH]ccc2c1 ZINC000120711213 426315020 /nfs/dbraw/zinc/31/50/20/426315020.db2.gz NALTWTMNRYJHSF-UHFFFAOYSA-N -1 3 318.340 2.524 20 0 DFADHM COc1cccc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)c1[O-] ZINC000175582774 426315317 /nfs/dbraw/zinc/31/53/17/426315317.db2.gz OKVKUYIFIJVGLJ-VIFPVBQESA-N -1 3 319.361 2.572 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1C ZINC000151881238 426318102 /nfs/dbraw/zinc/31/81/02/426318102.db2.gz CFHFFJOLMVEQGC-UHFFFAOYSA-N -1 3 305.399 2.905 20 0 DFADHM CCc1cc2c(CN(C)[C@@H]3CCSC3)cc(=O)oc2cc1[O-] ZINC000089936612 426319891 /nfs/dbraw/zinc/31/98/91/426319891.db2.gz NHCSSNDEBBKGSL-CYBMUJFWSA-N -1 3 319.426 2.998 20 0 DFADHM CCc1cc2c(CN(C)[C@H]3CCSC3)cc(=O)oc2cc1[O-] ZINC000089936613 426320145 /nfs/dbraw/zinc/32/01/45/426320145.db2.gz NHCSSNDEBBKGSL-ZDUSSCGKSA-N -1 3 319.426 2.998 20 0 DFADHM COc1ccc(C(=O)NCc2nc(-c3ccccc3)c[nH]2)c([O-])c1 ZINC000121202794 426324668 /nfs/dbraw/zinc/32/46/68/426324668.db2.gz LAFGTZHBNDNETG-UHFFFAOYSA-N -1 3 323.352 2.721 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H](c1ccccc1)C1CC1 ZINC000121208666 426324814 /nfs/dbraw/zinc/32/48/14/426324814.db2.gz PGNAEYKRVVQTAO-MRXNPFEDSA-N -1 3 319.368 2.999 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H](c1ccccc1)C1CC1 ZINC000121208666 426324819 /nfs/dbraw/zinc/32/48/19/426324819.db2.gz PGNAEYKRVVQTAO-MRXNPFEDSA-N -1 3 319.368 2.999 20 0 DFADHM O=C(CCC(=O)c1ccc2c(c1)CCC2)[N-]OCc1cccnc1 ZINC000152361485 426340489 /nfs/dbraw/zinc/34/04/89/426340489.db2.gz NAIVVHARYOWMDO-UHFFFAOYSA-N -1 3 324.380 2.781 20 0 DFADHM COc1cccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1F ZINC000090371669 426326349 /nfs/dbraw/zinc/32/63/49/426326349.db2.gz HOHJSXBHNYNAEV-UHFFFAOYSA-N -1 3 321.255 2.957 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000090480767 426328206 /nfs/dbraw/zinc/32/82/06/426328206.db2.gz AAYGBGHMNAFMFP-UHFFFAOYSA-N -1 3 319.382 2.665 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000121290787 426331557 /nfs/dbraw/zinc/33/15/57/426331557.db2.gz GEACFZHHQVYLDY-CQSZACIVSA-N -1 3 315.392 2.948 20 0 DFADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000175863406 426334513 /nfs/dbraw/zinc/33/45/13/426334513.db2.gz VWOATGHSSMIHJU-NSHDSACASA-N -1 3 307.390 2.757 20 0 DFADHM NC(=O)c1ccc(C(=O)[N-]c2cc(-c3ccccc3)on2)s1 ZINC000175867089 426335370 /nfs/dbraw/zinc/33/53/70/426335370.db2.gz JAVWXSXRWLIBMT-UHFFFAOYSA-N -1 3 313.338 2.754 20 0 DFADHM Cc1ccc([O-])c(CN(C)Cc2cnn(-c3ccccc3)c2)n1 ZINC000121345442 426336076 /nfs/dbraw/zinc/33/60/76/426336076.db2.gz AQFFPAGQFBKDTP-UHFFFAOYSA-N -1 3 308.385 2.913 20 0 DFADHM Cc1cc(C)c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)o1 ZINC000175884488 426336770 /nfs/dbraw/zinc/33/67/70/426336770.db2.gz FPBWWVVUUNHRDZ-UHFFFAOYSA-N -1 3 308.359 2.520 20 0 DFADHM COc1cccc([C@@H](C)CC(=O)[N-]OCc2cccnc2)c1 ZINC000152335428 426338690 /nfs/dbraw/zinc/33/86/90/426338690.db2.gz RECKTNHWCXYSIN-ZDUSSCGKSA-N -1 3 300.358 2.832 20 0 DFADHM O=S(=O)([N-]CCc1ccco1)c1cc(F)ccc1Cl ZINC000119331445 426279074 /nfs/dbraw/zinc/27/90/74/426279074.db2.gz IGMKRSQSMZMPHC-UHFFFAOYSA-N -1 3 303.742 2.593 20 0 DFADHM COc1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000119394103 426285588 /nfs/dbraw/zinc/28/55/88/426285588.db2.gz FHMKRRBZXIHFCH-ZIAGYGMSSA-N -1 3 313.353 2.695 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000091681031 426342703 /nfs/dbraw/zinc/34/27/03/426342703.db2.gz WDMREKACIPHFCZ-QFIPXVFZSA-N -1 3 319.382 2.699 20 0 DFADHM Cc1ccccc1O[C@@H](C)CNC(=O)c1c([O-])cccc1O ZINC000092123243 426347526 /nfs/dbraw/zinc/34/75/26/426347526.db2.gz JMSJPXSZDLMODS-LBPRGKRZSA-N -1 3 301.342 2.604 20 0 DFADHM O=C(NCc1ccccc1OC1CCC1)c1c([O-])cccc1O ZINC000092122441 426348330 /nfs/dbraw/zinc/34/83/30/426348330.db2.gz PMMDOIMGPKULHJ-UHFFFAOYSA-N -1 3 313.353 2.959 20 0 DFADHM COc1cc(CNC(=O)c2c([O-])cccc2O)c2ccccc2n1 ZINC000092123205 426348713 /nfs/dbraw/zinc/34/87/13/426348713.db2.gz BQGKHHMKCJHPDZ-UHFFFAOYSA-N -1 3 324.336 2.585 20 0 DFADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1ccc(-n2cccn2)cc1 ZINC000092123610 426348757 /nfs/dbraw/zinc/34/87/57/426348757.db2.gz MFDWHYAQPWGPKH-LBPRGKRZSA-N -1 3 323.352 2.775 20 0 DFADHM CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000176083304 426350580 /nfs/dbraw/zinc/35/05/80/426350580.db2.gz OEPFNSSGJNVENT-OSRJUQGESA-N -1 3 309.431 2.510 20 0 DFADHM C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccccc1[O-] ZINC000092604737 426350968 /nfs/dbraw/zinc/35/09/68/426350968.db2.gz FQRVQYNMFWQKFG-NSHDSACASA-N -1 3 301.317 2.923 20 0 DFADHM Cc1nc(CCCC(=O)NCc2ccc([O-])c(F)c2)cs1 ZINC000176166648 426356706 /nfs/dbraw/zinc/35/67/06/426356706.db2.gz BPFYHXVBRFROSN-UHFFFAOYSA-N -1 3 308.378 2.935 20 0 DFADHM CCO[C@H]1C[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176187553 426358963 /nfs/dbraw/zinc/35/89/63/426358963.db2.gz IKUQAPPAYAEEGU-KWQFWETISA-N -1 3 300.152 2.518 20 0 DFADHM C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000122580307 426382711 /nfs/dbraw/zinc/38/27/11/426382711.db2.gz XJYAYAOQZCGGJL-LBPRGKRZSA-N -1 3 318.398 2.800 20 0 DFADHM CC(=O)N[C@H](CC(=O)[N-]OCC(C)C)c1ccc(Cl)cc1 ZINC000153401210 426383896 /nfs/dbraw/zinc/38/38/96/426383896.db2.gz KHJKGGIZPTWVQB-CQSZACIVSA-N -1 3 312.797 2.611 20 0 DFADHM CSCc1ccc([N-]S(=O)(=O)CCOC(C)C)cc1 ZINC000176468220 426385337 /nfs/dbraw/zinc/38/53/37/426385337.db2.gz KMQSLMNWPSNNRN-UHFFFAOYSA-N -1 3 303.449 2.716 20 0 DFADHM C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153521064 426389710 /nfs/dbraw/zinc/38/97/10/426389710.db2.gz FJPOJXWAACDQOA-PWSUYJOCSA-N -1 3 313.781 2.958 20 0 DFADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000176537175 426392185 /nfs/dbraw/zinc/39/21/85/426392185.db2.gz CPAKSYIZXCYPKA-SWLSCSKDSA-N -1 3 306.369 2.976 20 0 DFADHM C[C@@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000153871165 426411610 /nfs/dbraw/zinc/41/16/10/426411610.db2.gz OQKDSPKLLRKDMO-QMMMGPOBSA-N -1 3 324.406 2.503 20 0 DFADHM C[C@@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000153871165 426411614 /nfs/dbraw/zinc/41/16/14/426411614.db2.gz OQKDSPKLLRKDMO-QMMMGPOBSA-N -1 3 324.406 2.503 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000153993357 426417542 /nfs/dbraw/zinc/41/75/42/426417542.db2.gz KKPSGNHLJBEMPU-MAZHCROVSA-N -1 3 321.804 2.662 20 0 DFADHM CC[C@@](C)(NC(=O)c1ccc(OC)cc1[O-])c1nccs1 ZINC000154102223 426424328 /nfs/dbraw/zinc/42/43/28/426424328.db2.gz KUGXPTQZGCUBCE-OAHLLOKOSA-N -1 3 306.387 2.913 20 0 DFADHM Cc1ccc([O-])c(CN2CCc3c(nc(C(C)C)n3C)C2)n1 ZINC000123294399 426425373 /nfs/dbraw/zinc/42/53/73/426425373.db2.gz GSHKDIBQRXCVFV-UHFFFAOYSA-N -1 3 300.406 2.511 20 0 DFADHM CN(C)[C@@H](CNC(=O)c1cc(F)ccc1[O-])c1cccs1 ZINC000176953629 426427640 /nfs/dbraw/zinc/42/76/40/426427640.db2.gz FJZZZXTYSYSSSP-LBPRGKRZSA-N -1 3 308.378 2.626 20 0 DFADHM CN(C)CCOc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1 ZINC000123489706 426437120 /nfs/dbraw/zinc/43/71/20/426437120.db2.gz MUBOCIRTGVMZCG-UHFFFAOYSA-N -1 3 318.348 2.724 20 0 DFADHM CCNc1ncc(C(=O)[N-]c2nnc(C(F)(F)F)s2)s1 ZINC000177035842 426437521 /nfs/dbraw/zinc/43/75/21/426437521.db2.gz GHZUOIJFCPMGKZ-UHFFFAOYSA-N -1 3 323.325 2.698 20 0 DFADHM CCc1ncsc1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000123668641 426447773 /nfs/dbraw/zinc/44/77/73/426447773.db2.gz ZRJJQNFBLOMJES-UHFFFAOYSA-N -1 3 317.349 2.882 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N[C@H]1CCC[C@@H]1F ZINC000340768910 269009636 /nfs/dbraw/zinc/00/96/36/269009636.db2.gz BNIODIXYDYPHAQ-QWRGUYRKSA-N -1 3 316.170 2.704 20 0 DFADHM COCc1cnc([N-]C(=O)c2cc(-c3ccccn3)no2)s1 ZINC000340830915 269018488 /nfs/dbraw/zinc/01/84/88/269018488.db2.gz FQLWHHWCWXFDDR-UHFFFAOYSA-N -1 3 316.342 2.592 20 0 DFADHM O=S(=O)(CCC(F)(F)F)[N-]Cc1c(F)cccc1Cl ZINC000340859131 269022871 /nfs/dbraw/zinc/02/28/71/269022871.db2.gz CVGQXIRITIEINA-UHFFFAOYSA-N -1 3 319.707 2.851 20 0 DFADHM CC(C)CC1(C[N-]S(=O)(=O)c2cncc(F)c2)CCC1 ZINC000340878530 269026288 /nfs/dbraw/zinc/02/62/88/269026288.db2.gz IQEYMGYZGSBYQN-UHFFFAOYSA-N -1 3 300.399 2.715 20 0 DFADHM CN(C(=O)c1cc([O-])ccc1C(F)(F)F)[C@H]1CCCOC1 ZINC000340889281 269027457 /nfs/dbraw/zinc/02/74/57/269027457.db2.gz GVPKGRFPUHWEFU-VIFPVBQESA-N -1 3 303.280 2.662 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC12CCC2 ZINC000341157335 269050136 /nfs/dbraw/zinc/05/01/36/269050136.db2.gz NVPWDHUWCDSIND-UHFFFAOYSA-N -1 3 310.191 2.852 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3cccs3)c[n-]c12 ZINC000154939983 426460081 /nfs/dbraw/zinc/46/00/81/426460081.db2.gz XTFHZZURXSBRLW-UHFFFAOYSA-N -1 3 316.357 2.967 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3O)c[n-]c12 ZINC000155103474 426463861 /nfs/dbraw/zinc/46/38/61/426463861.db2.gz ROCASGYTVVPYBZ-UHFFFAOYSA-N -1 3 312.300 2.934 20 0 DFADHM Cc1cncc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000124115537 426471342 /nfs/dbraw/zinc/47/13/42/426471342.db2.gz ROKHKPLHLFDPFO-UHFFFAOYSA-N -1 3 312.369 2.739 20 0 DFADHM O=C(NCCn1ccnc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177397423 426475937 /nfs/dbraw/zinc/47/59/37/426475937.db2.gz GDXBXBLSCPIVIX-UHFFFAOYSA-N -1 3 323.352 2.811 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]CC1(CC(C)C)CC1 ZINC000124253624 426477357 /nfs/dbraw/zinc/47/73/57/426477357.db2.gz SCWDXYZDXVCTOF-UHFFFAOYSA-N -1 3 303.449 2.861 20 0 DFADHM COCCOc1ccccc1NC(=O)c1cccc(C)c1[O-] ZINC000098110500 426478938 /nfs/dbraw/zinc/47/89/38/426478938.db2.gz YXJGTKDFWUBEQS-UHFFFAOYSA-N -1 3 301.342 2.978 20 0 DFADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1(O)CCSCC1 ZINC000124298102 426479080 /nfs/dbraw/zinc/47/90/80/426479080.db2.gz OHOFUEBNGMXFHL-UHFFFAOYSA-N -1 3 321.320 2.608 20 0 DFADHM Cc1ccnn1-c1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000124390992 426482387 /nfs/dbraw/zinc/48/23/87/426482387.db2.gz JIVBDTOITZSXFE-HNNXBMFYSA-N -1 3 316.361 2.760 20 0 DFADHM Cc1ccnn1-c1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000124390992 426482388 /nfs/dbraw/zinc/48/23/88/426482388.db2.gz JIVBDTOITZSXFE-HNNXBMFYSA-N -1 3 316.361 2.760 20 0 DFADHM COCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000101577882 426485005 /nfs/dbraw/zinc/48/50/05/426485005.db2.gz KECYDFOZIRAPIU-MRVPVSSYSA-N -1 3 312.218 2.697 20 0 DFADHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000101630751 426485518 /nfs/dbraw/zinc/48/55/18/426485518.db2.gz UEZXJQWOXKUAQU-OLZOCXBDSA-N -1 3 304.390 2.615 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000101677757 426485801 /nfs/dbraw/zinc/48/58/01/426485801.db2.gz CGFIOIRQEMNSRI-UHFFFAOYSA-N -1 3 311.297 2.703 20 0 DFADHM COC[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000186340761 426508719 /nfs/dbraw/zinc/50/87/19/426508719.db2.gz OWUAYXTZHOKYJP-ZDUSSCGKSA-N -1 3 303.402 2.770 20 0 DFADHM COc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1O ZINC000195242282 426508862 /nfs/dbraw/zinc/50/88/62/426508862.db2.gz BEOZHDREGOGVCH-UHFFFAOYSA-N -1 3 307.733 2.941 20 0 DFADHM CC(C)c1cc(C(=O)N2CCNC(=O)CC2)c([O-])c(C(C)C)c1 ZINC000195325073 426515113 /nfs/dbraw/zinc/51/51/13/426515113.db2.gz RAMYZOBFUGKIER-UHFFFAOYSA-N -1 3 318.417 2.601 20 0 DFADHM COC(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccc(C)cc2)o1 ZINC000272480068 426535319 /nfs/dbraw/zinc/53/53/19/426535319.db2.gz YLQHAJSKRGMLAZ-UHFFFAOYSA-N -1 3 323.295 2.783 20 0 DFADHM O=C(CCn1cc(Cl)cn1)N1CCCc2cccc([O-])c21 ZINC000272507402 426542672 /nfs/dbraw/zinc/54/26/72/426542672.db2.gz OLDIPNPIAACIHZ-UHFFFAOYSA-N -1 3 305.765 2.612 20 0 DFADHM CSc1nnc(NC(=O)Cc2ccc(OCC(C)C)cc2)[n-]1 ZINC000264368099 426543482 /nfs/dbraw/zinc/54/34/82/426543482.db2.gz DOBKOHWBACICOR-UHFFFAOYSA-N -1 3 320.418 2.743 20 0 DFADHM CSc1n[n-]c(NC(=O)Cc2ccc(OCC(C)C)cc2)n1 ZINC000264368099 426543485 /nfs/dbraw/zinc/54/34/85/426543485.db2.gz DOBKOHWBACICOR-UHFFFAOYSA-N -1 3 320.418 2.743 20 0 DFADHM CSc1nc(NC(=O)Cc2ccc(OCC(C)C)cc2)n[n-]1 ZINC000264368099 426543486 /nfs/dbraw/zinc/54/34/86/426543486.db2.gz DOBKOHWBACICOR-UHFFFAOYSA-N -1 3 320.418 2.743 20 0 DFADHM CCc1ccccc1N1C[C@H](C(=O)Nc2ccccc2[O-])CC1=O ZINC000198138198 426543538 /nfs/dbraw/zinc/54/35/38/426543538.db2.gz CJYCVVQMRYNGSJ-CQSZACIVSA-N -1 3 324.380 2.946 20 0 DFADHM COC(=O)c1c(C)csc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000288878756 426545528 /nfs/dbraw/zinc/54/55/28/426545528.db2.gz RHMSHAZXRIMPHN-UHFFFAOYSA-N -1 3 306.343 2.961 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC3(C2)Oc2ccccc2O3)c1 ZINC000288905460 426549113 /nfs/dbraw/zinc/54/91/13/426549113.db2.gz JYAIOJWBULCNAA-UHFFFAOYSA-N -1 3 311.337 2.714 20 0 DFADHM CSCCON=C([O-])Nc1ccc(N2CCCC2)c(F)c1 ZINC000280334047 426551949 /nfs/dbraw/zinc/55/19/49/426551949.db2.gz DIPUVPPJNGLASE-UHFFFAOYSA-N -1 3 313.398 2.842 20 0 DFADHM CSCCO[N-]C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000280334047 426551953 /nfs/dbraw/zinc/55/19/53/426551953.db2.gz DIPUVPPJNGLASE-UHFFFAOYSA-N -1 3 313.398 2.842 20 0 DFADHM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000194768551 426492208 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C[C@@H]1CCN(C(=O)c2ccc3c(c2)nnn3C)c2c([O-])cccc21 ZINC000186306201 426501896 /nfs/dbraw/zinc/50/18/96/426501896.db2.gz HXHNSQHEFJOCRV-LLVKDONJSA-N -1 3 322.368 2.828 20 0 DFADHM CCC[C@@]1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCOC1 ZINC000288066251 426502467 /nfs/dbraw/zinc/50/24/67/426502467.db2.gz YNXQZFYCFNDJQA-QGZVFWFLSA-N -1 3 300.358 2.629 20 0 DFADHM CSc1nnc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[n-]1 ZINC000264538449 426571144 /nfs/dbraw/zinc/57/11/44/426571144.db2.gz OIQBKHBHYSJZPC-JGVFFNPUSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000264538449 426571145 /nfs/dbraw/zinc/57/11/45/426571145.db2.gz OIQBKHBHYSJZPC-JGVFFNPUSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n[n-]1 ZINC000264538449 426571149 /nfs/dbraw/zinc/57/11/49/426571149.db2.gz OIQBKHBHYSJZPC-JGVFFNPUSA-N -1 3 310.329 2.547 20 0 DFADHM CC(C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000265336496 426620790 /nfs/dbraw/zinc/62/07/90/426620790.db2.gz 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426666049 /nfs/dbraw/zinc/66/60/49/426666049.db2.gz HREPAPCTHHFFMU-LBPRGKRZSA-N -1 3 323.389 2.666 20 0 DFADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000187506433 426667104 /nfs/dbraw/zinc/66/71/04/426667104.db2.gz AMMOJHBHANXUIF-NEPJUHHUSA-N -1 3 310.419 2.823 20 0 DFADHM Cc1ccc([O-])c(NC(=O)C[C@H](C)NC(=O)C2CCCCC2)n1 ZINC000273462450 426668391 /nfs/dbraw/zinc/66/83/91/426668391.db2.gz IRYGQLYTPVHNHK-LBPRGKRZSA-N -1 3 319.405 2.509 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2ccn([C@@H](C)COC)n2)c1 ZINC000187522376 426670270 /nfs/dbraw/zinc/67/02/70/426670270.db2.gz QFLKYADLIZTQMX-NSHDSACASA-N -1 3 303.362 2.611 20 0 DFADHM O=C([N-]n1cnc2ccccc2c1=O)[C@H](F)CC1CCCCC1 ZINC000280865432 426672433 /nfs/dbraw/zinc/67/24/33/426672433.db2.gz CLVWJRTVHMAULC-CQSZACIVSA-N -1 3 317.364 2.775 20 0 DFADHM C[C@]1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCO[C@@H]1C1CC1 ZINC000273555424 426684312 /nfs/dbraw/zinc/68/43/12/426684312.db2.gz VOZAHISMZYGBQZ-AEFFLSMTSA-N -1 3 312.369 2.628 20 0 DFADHM [O-]C(=NO[C@H]1CCCCO1)Nc1c[nH]nc1-c1ccccc1 ZINC000187698326 426684982 /nfs/dbraw/zinc/68/49/82/426684982.db2.gz QWHMNSMWKSNGHA-ZDUSSCGKSA-N -1 3 302.334 2.656 20 0 DFADHM O=C([N-]O[C@H]1CCCCO1)Nc1c[nH]nc1-c1ccccc1 ZINC000187698326 426684985 /nfs/dbraw/zinc/68/49/85/426684985.db2.gz QWHMNSMWKSNGHA-ZDUSSCGKSA-N -1 3 302.334 2.656 20 0 DFADHM O=C(Nc1cnn(CC(F)F)c1)c1cn[n-]c1-c1ccsc1 ZINC000187076563 426626148 /nfs/dbraw/zinc/62/61/48/426626148.db2.gz DTDULKBOTOTLMG-UHFFFAOYSA-N -1 3 323.328 2.852 20 0 DFADHM O=C(Nc1cnn(CC(F)F)c1)c1c[n-]nc1-c1ccsc1 ZINC000187076563 426626152 /nfs/dbraw/zinc/62/61/52/426626152.db2.gz DTDULKBOTOTLMG-UHFFFAOYSA-N -1 3 323.328 2.852 20 0 DFADHM CC(C)c1noc([N-][C@@H](CN2CCOCC2)c2ccccc2)n1 ZINC000265401858 426630917 /nfs/dbraw/zinc/63/09/17/426630917.db2.gz ADHWPRMSRWETKA-HNNXBMFYSA-N -1 3 316.405 2.678 20 0 DFADHM CCCc1nc(C(=O)[N-]c2ccc(C(=O)OC)cc2F)co1 ZINC000273654085 426703614 /nfs/dbraw/zinc/70/36/14/426703614.db2.gz WVIPYLNSPUWLMD-UHFFFAOYSA-N -1 3 306.293 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CO[C@@]1(C)C[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1(C)C ZINC000266724750 426767377 /nfs/dbraw/zinc/76/73/77/426767377.db2.gz VROUAGVWZBACOR-YJBOKZPZSA-N -1 3 314.385 2.874 20 0 DFADHM CCC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCOCC1 ZINC000266716497 426767577 /nfs/dbraw/zinc/76/75/77/426767577.db2.gz RUFHSQODWFZFRZ-UHFFFAOYSA-N -1 3 314.385 2.877 20 0 DFADHM O=S(=O)([N-]CCc1cccc2ccccc21)c1ccco1 ZINC000188599143 426768932 /nfs/dbraw/zinc/76/89/32/426768932.db2.gz ZMWJZEHENOAUTK-UHFFFAOYSA-N -1 3 301.367 2.954 20 0 DFADHM [O-]c1cc(F)cc(CNCc2ccc(C3OCCO3)cc2)c1 ZINC000274446958 426769366 /nfs/dbraw/zinc/76/93/66/426769366.db2.gz PYBZOZTUWBVYNJ-UHFFFAOYSA-N -1 3 303.333 2.867 20 0 DFADHM Cc1ccc([O-])c(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)n1 ZINC000281825449 426771703 /nfs/dbraw/zinc/77/17/03/426771703.db2.gz RLIMKSALPKPXKD-ZBFHGGJFSA-N -1 3 302.349 2.543 20 0 DFADHM Cc1ccc([O-])c(CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)n1 ZINC000281825445 426771830 /nfs/dbraw/zinc/77/18/30/426771830.db2.gz 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CO[C@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000189550168 426886606 /nfs/dbraw/zinc/88/66/06/426886606.db2.gz CRPSFOCRZZCODJ-JTQLQIEISA-N -1 3 303.280 2.662 20 0 DFADHM O=C(CCc1ccc2ccccc2c1O)[N-]OC[C@@H]1CCOC1 ZINC000295269823 426887382 /nfs/dbraw/zinc/88/73/82/426887382.db2.gz CFTFEDZKQXVFAE-CYBMUJFWSA-N -1 3 315.369 2.562 20 0 DFADHM CSCCc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000189555795 426888171 /nfs/dbraw/zinc/88/81/71/426888171.db2.gz CJUCGRCWTAHEGF-CYBMUJFWSA-N -1 3 310.419 2.682 20 0 DFADHM CCO[N-]C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000189575314 426894296 /nfs/dbraw/zinc/89/42/96/426894296.db2.gz XPCUTPNJNYOWHZ-SNVBAGLBSA-N -1 3 314.769 2.828 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000305203534 426895312 /nfs/dbraw/zinc/89/53/12/426895312.db2.gz LZQHNQGDYNYHPT-RNCFNFMXSA-N -1 3 323.817 2.555 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000337657200 426905715 /nfs/dbraw/zinc/90/57/15/426905715.db2.gz 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ZINC000291791541 426989174 /nfs/dbraw/zinc/98/91/74/426989174.db2.gz OWHIGIOTTGRQRV-NSHDSACASA-N -1 3 314.357 2.950 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000189714931 426930651 /nfs/dbraw/zinc/93/06/51/426930651.db2.gz DYALQJRYQKUFJA-SNVBAGLBSA-N -1 3 317.345 2.795 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)c1F ZINC000181328293 426937830 /nfs/dbraw/zinc/93/78/30/426937830.db2.gz DOGQYCAJGBUOSD-CYBMUJFWSA-N -1 3 324.421 2.772 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1F ZINC000181378337 426941024 /nfs/dbraw/zinc/94/10/24/426941024.db2.gz NUBSLLHBOHBEEU-KMFMINBZSA-N -1 3 317.385 2.751 20 0 DFADHM CC(C)CCC[C@@H](C)NC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC000315859434 426941151 /nfs/dbraw/zinc/94/11/51/426941151.db2.gz HIBZRQUPGOPVMK-CQSZACIVSA-N -1 3 312.454 2.504 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCCN(c2ccccc2)CC1 ZINC000181908751 426993681 /nfs/dbraw/zinc/99/36/81/426993681.db2.gz WJSHSVRWOJYKQV-BQYQJAHWSA-N -1 3 323.396 2.539 20 0 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DFADHM Cc1c(Cl)c(CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)nn1C ZINC000263300069 427456508 /nfs/dbraw/zinc/45/65/08/427456508.db2.gz GLNWJHWNZLJUPL-WXHSDQCUSA-N -1 3 311.813 2.600 20 0 DFADHM CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000271228471 427462792 /nfs/dbraw/zinc/46/27/92/427462792.db2.gz FEAFSOCGMSJISX-AWEZNQCLSA-N -1 3 305.374 2.567 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)c([O-])c1 ZINC000271236121 427463127 /nfs/dbraw/zinc/46/31/27/427463127.db2.gz FCVOUXPIAJPXFO-CYBMUJFWSA-N -1 3 305.374 2.647 20 0 DFADHM O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(O)cc1[O-] ZINC000271300976 427488441 /nfs/dbraw/zinc/48/84/41/427488441.db2.gz SGDPWAYNVMUUFV-UHFFFAOYSA-N -1 3 303.280 2.949 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000278839916 427473219 /nfs/dbraw/zinc/47/32/19/427473219.db2.gz RKTADJRCJITFQT-UHFFFAOYSA-N -1 3 315.822 2.816 20 0 DFADHM O=C(NC1CC1)c1c2c(sc1[N-]C(=O)C(F)(F)F)CCC2 ZINC000297862465 427473385 /nfs/dbraw/zinc/47/33/85/427473385.db2.gz YUJCYYOIXFXCDT-UHFFFAOYSA-N -1 3 318.320 2.630 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cccc2c1OCCCO2 ZINC000263372539 427473830 /nfs/dbraw/zinc/47/38/30/427473830.db2.gz VUTGPEXBJHYNAV-OCCSQVGLSA-N -1 3 305.374 2.533 20 0 DFADHM COCc1nc(CNCc2c(F)ccc([O-])c2F)cs1 ZINC000293884470 427476666 /nfs/dbraw/zinc/47/66/66/427476666.db2.gz JYXVCFVQLOJRNC-UHFFFAOYSA-N -1 3 300.330 2.563 20 0 DFADHM Cc1ccc(-c2ncccc2NC([O-])=NOC(C)(C)CO)s1 ZINC000297894159 427478718 /nfs/dbraw/zinc/47/87/18/427478718.db2.gz RXDQIWXDVXRQIU-UHFFFAOYSA-N -1 3 321.402 2.943 20 0 DFADHM Cc1ccc(-c2ncccc2NC(=O)[N-]OC(C)(C)CO)s1 ZINC000297894159 427478721 /nfs/dbraw/zinc/47/87/21/427478721.db2.gz RXDQIWXDVXRQIU-UHFFFAOYSA-N -1 3 321.402 2.943 20 0 DFADHM O=C([O-])[C@@H]1CCN(Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000263393804 427479981 /nfs/dbraw/zinc/47/99/81/427479981.db2.gz FZABZANVCVUYRZ-SECBINFHSA-N -1 3 305.708 2.848 20 0 DFADHM C[C@H](C(=O)Nc1cccc(Cl)c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263397532 427480377 /nfs/dbraw/zinc/48/03/77/427480377.db2.gz ZPFXWADBNRBIKA-UTUOFQBUSA-N -1 3 324.808 2.710 20 0 DFADHM O=C([O-])[C@@]1(NCc2ccc(-c3ccccc3F)s2)CCOC1 ZINC000340674787 271744884 /nfs/dbraw/zinc/74/48/84/271744884.db2.gz MAMFXUULPVZLKF-MRXNPFEDSA-N -1 3 321.373 2.888 20 0 DFADHM CCc1cc(C(=O)N2CCOC[C@@H](C3CCC3)C2)ccc1[O-] ZINC000293905023 427485544 /nfs/dbraw/zinc/48/55/44/427485544.db2.gz NYRGKVUHMVQBPS-INIZCTEOSA-N -1 3 303.402 2.843 20 0 DFADHM COC(=O)c1ccc(C(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)o1 ZINC000331821200 427486005 /nfs/dbraw/zinc/48/60/05/427486005.db2.gz ZGSQTTLZDDLVHX-QMMMGPOBSA-N -1 3 320.370 2.900 20 0 DFADHM CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000184291097 427431375 /nfs/dbraw/zinc/43/13/75/427431375.db2.gz VPDFDIWYMOVRNV-CYBMUJFWSA-N -1 3 305.374 2.586 20 0 DFADHM COc1nnc(NC(=O)c2ccc(C3SCCS3)cc2)[n-]1 ZINC000271297500 427487407 /nfs/dbraw/zinc/48/74/07/427487407.db2.gz RNUWIJMIKCGKTH-UHFFFAOYSA-N -1 3 322.415 2.544 20 0 DFADHM COc1nc(NC(=O)c2ccc(C3SCCS3)cc2)n[n-]1 ZINC000271297500 427487413 /nfs/dbraw/zinc/48/74/13/427487413.db2.gz RNUWIJMIKCGKTH-UHFFFAOYSA-N -1 3 322.415 2.544 20 0 DFADHM COc1n[n-]c(NC(=O)c2ccc(C3SCCS3)cc2)n1 ZINC000271297500 427487416 /nfs/dbraw/zinc/48/74/16/427487416.db2.gz RNUWIJMIKCGKTH-UHFFFAOYSA-N -1 3 322.415 2.544 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)c1ccccc1 ZINC000184325106 427437937 /nfs/dbraw/zinc/43/79/37/427437937.db2.gz NYZMSQMMOSAPMG-OAHLLOKOSA-N -1 3 323.389 2.800 20 0 DFADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2F)n1 ZINC000184343890 427442763 /nfs/dbraw/zinc/44/27/63/427442763.db2.gz CBIROZWRJGJADT-JTQLQIEISA-N -1 3 314.407 2.939 20 0 DFADHM [O-]c1ccc(F)c(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1F ZINC000293812147 427444429 /nfs/dbraw/zinc/44/44/29/427444429.db2.gz FEZQFOBDPWVVBC-SNVBAGLBSA-N -1 3 313.735 2.967 20 0 DFADHM Clc1cccc(-c2noc(=NCCN3CCCCC3)[n-]2)c1 ZINC000341126252 271785261 /nfs/dbraw/zinc/78/52/61/271785261.db2.gz NQHBUTBLJJLPQA-UHFFFAOYSA-N -1 3 306.797 2.710 20 0 DFADHM Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)[n-]c(=O)n1 ZINC000286179006 427446545 /nfs/dbraw/zinc/44/65/45/427446545.db2.gz QBYLDULEHAXEAH-BFYDXBDKSA-N -1 3 323.396 2.899 20 0 DFADHM CN1CCC[C@@]2(CCN(C(=O)c3ccc([O-])c(Cl)c3)C2)C1 ZINC000293927145 427491508 /nfs/dbraw/zinc/49/15/08/427491508.db2.gz IYVLJUVMXHWNAU-MRXNPFEDSA-N -1 3 308.809 2.604 20 0 DFADHM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000184583202 427492607 /nfs/dbraw/zinc/49/26/07/427492607.db2.gz QXCMADKQAUBSMT-UHFFFAOYSA-N -1 3 324.344 2.683 20 0 DFADHM CC[C@H](C)[C@](C)(O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338798941 427497212 /nfs/dbraw/zinc/49/72/12/427497212.db2.gz DGCAODLKBVJTHV-LKFCYVNXSA-N -1 3 319.323 2.938 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3CF)nc2)n1 ZINC000338808221 427503214 /nfs/dbraw/zinc/50/32/14/427503214.db2.gz NKKWPTYJMJBLMZ-ZDUSSCGKSA-N -1 3 302.353 2.745 20 0 DFADHM C[C@@H](O)C1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000271369275 427512504 /nfs/dbraw/zinc/51/25/04/427512504.db2.gz ZDDVPEXEEDTWQN-GFCCVEGCSA-N -1 3 303.402 2.504 20 0 DFADHM CCOc1cc2nccc(NCCC(=O)[O-])c2cc1OCC ZINC000263536604 427513238 /nfs/dbraw/zinc/51/32/38/427513238.db2.gz ZOSMMAIGBFQZAS-UHFFFAOYSA-N -1 3 304.346 2.919 20 0 DFADHM COc1ccc(C(=O)N2CCC(c3ccncc3)CC2)c([O-])c1 ZINC000192280702 427513577 /nfs/dbraw/zinc/51/35/77/427513577.db2.gz UHOLYHPDRQUZQT-UHFFFAOYSA-N -1 3 312.369 2.816 20 0 DFADHM Cc1noc([C@H]2CCCCN2C(=O)c2ccc([O-])c(C)c2)n1 ZINC000286430095 427524239 /nfs/dbraw/zinc/52/42/39/427524239.db2.gz NOBYIFQBBORLHU-CYBMUJFWSA-N -1 3 301.346 2.759 20 0 DFADHM Cc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1C ZINC000263582472 427525535 /nfs/dbraw/zinc/52/55/35/427525535.db2.gz YSAUVYHGWSGKOB-CHWSQXEVSA-N -1 3 301.308 2.998 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N(C)CCCn3ccnc3)c(=O)c2c1 ZINC000278995901 427526689 /nfs/dbraw/zinc/52/66/89/427526689.db2.gz ZYQXTBVCDBAHCW-UHFFFAOYSA-N -1 3 324.384 2.608 20 0 DFADHM CCOCCO[N-]C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000184756598 427532406 /nfs/dbraw/zinc/53/24/06/427532406.db2.gz VDVHEVVZIFDYJG-VOTSOKGWSA-N -1 3 303.280 2.803 20 0 DFADHM COC(=O)[C@]12CN(C(=O)c3ccc([O-])c(C)c3)C[C@H]1CCCC2 ZINC000286453231 427532868 /nfs/dbraw/zinc/53/28/68/427532868.db2.gz YSDHOYVYHJZAHU-RDTXWAMCSA-N -1 3 317.385 2.506 20 0 DFADHM Cn1nc(C(=O)Nc2cc(Cl)ccc2[O-])cc1OC(F)F ZINC000184763630 427535358 /nfs/dbraw/zinc/53/53/58/427535358.db2.gz GOUUGTSBTFMTHL-UHFFFAOYSA-N -1 3 317.679 2.633 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)c(Cl)c1Cl ZINC000332179508 427535619 /nfs/dbraw/zinc/53/56/19/427535619.db2.gz WDDBQIRSXVADPQ-SFYZADRCSA-N -1 3 324.229 2.936 20 0 DFADHM C[C@@]12CCN(Cc3cc(=O)oc4cc([O-])ccc34)C[C@@H]1C2(F)F ZINC000298228280 427541546 /nfs/dbraw/zinc/54/15/46/427541546.db2.gz HCQVZOTYBUQHIK-GOEBONIOSA-N -1 3 321.323 2.976 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@H]3c3cc[nH]n3)c(=O)c2c1 ZINC000286676545 427541784 /nfs/dbraw/zinc/54/17/84/427541784.db2.gz MXNUVVWORZLVPK-MRXNPFEDSA-N -1 3 322.368 2.949 20 0 DFADHM CC(=O)NC1CCC(NC(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000263704166 427547890 /nfs/dbraw/zinc/54/78/90/427547890.db2.gz JDQVOFOQJLBZQS-UHFFFAOYSA-N -1 3 318.417 2.693 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1sccc1F)c1cccc(O)c1 ZINC000338905332 427550994 /nfs/dbraw/zinc/55/09/94/427550994.db2.gz QUGHLVXHMYKHIT-QMMMGPOBSA-N -1 3 301.364 2.632 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(O)(c3ccccc3)CC2)n1 ZINC000192786693 427613463 /nfs/dbraw/zinc/61/34/63/427613463.db2.gz CIBUOARTZKDUEE-CQSZACIVSA-N -1 3 313.401 2.535 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)[N-]OC3CCCC3)c[nH]c12 ZINC000272055400 427616760 /nfs/dbraw/zinc/61/67/60/427616760.db2.gz BBSZMHKKDUQOHR-UHFFFAOYSA-N -1 3 304.321 2.992 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)NOC3CCCC3)c[n-]c12 ZINC000272055400 427616765 /nfs/dbraw/zinc/61/67/65/427616765.db2.gz BBSZMHKKDUQOHR-UHFFFAOYSA-N -1 3 304.321 2.992 20 0 DFADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccoc1Cl ZINC000294306383 427617499 /nfs/dbraw/zinc/61/74/99/427617499.db2.gz OMYXCQONRLONMD-UHFFFAOYSA-N -1 3 313.766 2.931 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCCCO1 ZINC000272070656 427621987 /nfs/dbraw/zinc/62/19/87/427621987.db2.gz QZIIDSFZBLMXKB-RKDXNWHRSA-N -1 3 309.840 2.637 20 0 DFADHM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000294133469 427560159 /nfs/dbraw/zinc/56/01/59/427560159.db2.gz KUMPOWMNKXFHOQ-YMTOWFKASA-N -1 3 317.307 2.692 20 0 DFADHM C/C(=C\C(C)(C)C)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000185262744 427622711 /nfs/dbraw/zinc/62/27/11/427622711.db2.gz PFVBPIDJRJUZSM-ZHACJKMWSA-N -1 3 310.419 2.989 20 0 DFADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc2c(c1[O-])CCCC2 ZINC000184967662 427569455 /nfs/dbraw/zinc/56/94/55/427569455.db2.gz BBUAXNNXCIQWJD-UHFFFAOYSA-N -1 3 324.336 2.958 20 0 DFADHM COc1cc(F)cc(C[N-]S(=O)(=O)c2sccc2F)c1 ZINC000338940601 427572876 /nfs/dbraw/zinc/57/28/76/427572876.db2.gz BUJAMVLTXQSEHC-UHFFFAOYSA-N -1 3 319.354 2.513 20 0 DFADHM C[C@H](NC(=O)c1ccccc1[O-])[C@@H]1OCCc2sccc21 ZINC000294196292 427583496 /nfs/dbraw/zinc/58/34/96/427583496.db2.gz NPNUGSBANUYHCD-BONVTDFDSA-N -1 3 303.383 2.886 20 0 DFADHM C[C@H]1CCc2ccccc2N1CCC(=O)Nc1ncccc1[O-] ZINC000341898110 271919436 /nfs/dbraw/zinc/91/94/36/271919436.db2.gz FJZMXLKVCNYQHP-ZDUSSCGKSA-N -1 3 311.385 2.957 20 0 DFADHM Cc1nc(C)c(C[N-]C(=O)C(F)(F)c2ncccc2C)s1 ZINC000279199216 427592736 /nfs/dbraw/zinc/59/27/36/427592736.db2.gz NUHFIXGJZVVYNG-UHFFFAOYSA-N -1 3 311.357 2.872 20 0 DFADHM Cc1cccc(C(=O)NCCc2nn(C)c3ccccc23)c1[O-] ZINC000185080516 427593916 /nfs/dbraw/zinc/59/39/16/427593916.db2.gz NQOVRPAVSULMKT-UHFFFAOYSA-N -1 3 309.369 2.560 20 0 DFADHM COc1ccc([C@@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1OC ZINC000192729208 427594102 /nfs/dbraw/zinc/59/41/02/427594102.db2.gz KRIOPXAXDPGQRV-NEPJUHHUSA-N -1 3 317.389 2.920 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)c1 ZINC000192718576 427594311 /nfs/dbraw/zinc/59/43/11/427594311.db2.gz BYCMCXUUOHHRPZ-ZDUSSCGKSA-N -1 3 310.353 2.556 20 0 DFADHM 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CCOc1ccc([C@H](NC(=O)c2cnn[n-]2)c2ccccc2)cc1 ZINC000194177110 427734176 /nfs/dbraw/zinc/73/41/76/427734176.db2.gz PXZKCNGWAXHDTE-QGZVFWFLSA-N -1 3 322.368 2.723 20 0 DFADHM CCOc1ccc([C@H](NC(=O)c2cn[n-]n2)c2ccccc2)cc1 ZINC000194177110 427734178 /nfs/dbraw/zinc/73/41/78/427734178.db2.gz PXZKCNGWAXHDTE-QGZVFWFLSA-N -1 3 322.368 2.723 20 0 DFADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cncc(F)c1 ZINC000339251348 427742386 /nfs/dbraw/zinc/74/23/86/427742386.db2.gz RNZTXMHUNDOXMJ-MBNYWOFBSA-N -1 3 312.410 2.858 20 0 DFADHM [O-]c1cccc(CNC2(CO)Cc3ccccc3C2)c1Cl ZINC000339264062 427744678 /nfs/dbraw/zinc/74/46/78/427744678.db2.gz LRJYMJCDSLFWBK-UHFFFAOYSA-N -1 3 303.789 2.665 20 0 DFADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]C2(C(F)F)CC2)cc1 ZINC000337074517 427796129 /nfs/dbraw/zinc/79/61/29/427796129.db2.gz YRYHYBMJWGLBDV-UHFFFAOYSA-N -1 3 317.357 2.601 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)c3cnc4cnccc4c3)[n-]2)o1 ZINC000337075444 427796384 /nfs/dbraw/zinc/79/63/84/427796384.db2.gz 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CCc1ncc(S(=O)(=O)[N-]Cc2cccc(Cl)c2)s1 ZINC000359257837 428891761 /nfs/dbraw/zinc/89/17/61/428891761.db2.gz HSLHNUGVPZTPCC-UHFFFAOYSA-N -1 3 316.835 2.837 20 0 DFADHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1cccc(O)c1 ZINC000354170164 428897186 /nfs/dbraw/zinc/89/71/86/428897186.db2.gz RNAXTVHSYJWPFU-LLVKDONJSA-N -1 3 308.341 2.668 20 0 DFADHM COCC(C)(C)CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000411978609 428899369 /nfs/dbraw/zinc/89/93/69/428899369.db2.gz HGVYBQPNTJUCPD-UHFFFAOYSA-N -1 3 306.341 2.612 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)[C@@H]3CCOC3)nc2)n1 ZINC000359289756 428905186 /nfs/dbraw/zinc/90/51/86/428905186.db2.gz ATIGBTSWKIPBQN-WCQYABFASA-N -1 3 314.389 2.644 20 0 DFADHM CCCOc1cccc(CNC2(c3nn[n-]n3)CCCC2)c1 ZINC000354208815 428916772 /nfs/dbraw/zinc/91/67/72/428916772.db2.gz WZDXAGHJBILIMD-UHFFFAOYSA-N -1 3 301.394 2.548 20 0 DFADHM CCCOc1cccc(CNC2(c3nnn[n-]3)CCCC2)c1 ZINC000354208815 428916779 /nfs/dbraw/zinc/91/67/79/428916779.db2.gz WZDXAGHJBILIMD-UHFFFAOYSA-N -1 3 301.394 2.548 20 0 DFADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1cccs1 ZINC000375629455 428929035 /nfs/dbraw/zinc/92/90/35/428929035.db2.gz IDVNDLSOCFYBPI-UHFFFAOYSA-N -1 3 308.428 2.543 20 0 DFADHM Cc1ccc(C(C)(C)NC(=O)NCc2ccc([O-])c(F)c2)cn1 ZINC000354242937 428937046 /nfs/dbraw/zinc/93/70/46/428937046.db2.gz YNCVTQCNWOFDIY-UHFFFAOYSA-N -1 3 317.364 2.969 20 0 DFADHM O=C(NCc1cn2cc(Cl)ccc2n1)c1cccc([O-])c1 ZINC000349228149 428940979 /nfs/dbraw/zinc/94/09/79/428940979.db2.gz WNWAJUPARIWGQF-UHFFFAOYSA-N -1 3 301.733 2.623 20 0 DFADHM CO[C@@H](C)CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000363628754 428957797 /nfs/dbraw/zinc/95/77/97/428957797.db2.gz ROQYCQGVUJJNHT-NSHDSACASA-N -1 3 301.346 2.521 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000349340735 428964733 /nfs/dbraw/zinc/96/47/33/428964733.db2.gz IGUPKSOSFGLMQP-VHSXEESVSA-N -1 3 317.311 2.708 20 0 DFADHM CCOC(=O)[C@@H](CC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000412170159 428970879 /nfs/dbraw/zinc/97/08/79/428970879.db2.gz 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ZINC000433382214 429029952 /nfs/dbraw/zinc/02/99/52/429029952.db2.gz CNHXWCKUOZLGQS-UHFFFAOYSA-N -1 3 316.723 2.953 20 0 DFADHM O=C([N-]c1nnc(C(F)F)s1)c1cc2[nH]ccc2s1 ZINC000355109786 429030254 /nfs/dbraw/zinc/03/02/54/429030254.db2.gz VDLISQKWJJCQFF-UHFFFAOYSA-N -1 3 300.315 3.271 20 0 DFADHM COc1cccc([C@H]2C[C@H](NC(=O)c3c([O-])cccc3O)C2)c1 ZINC000412390193 429031327 /nfs/dbraw/zinc/03/13/27/429031327.db2.gz IDCSHXVMDMUNSC-JOCQHMNTSA-N -1 3 313.353 2.782 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]Cc1cc(C)cs1 ZINC000451807158 428983828 /nfs/dbraw/zinc/98/38/28/428983828.db2.gz YAYUZVBQPARURI-UHFFFAOYSA-N -1 3 303.430 2.605 20 0 DFADHM Cc1cc(C(=O)N2CCN3CCOc4cccc2c43)ccc1[O-] ZINC000354489634 428990681 /nfs/dbraw/zinc/99/06/81/428990681.db2.gz GBNFCRDEOKHWPL-UHFFFAOYSA-N -1 3 310.353 2.560 20 0 DFADHM CC(=O)c1ccc(C(=O)NCC[C@H]2CCO[C@H](C)C2)cc1[O-] ZINC000412249101 428995370 /nfs/dbraw/zinc/99/53/70/428995370.db2.gz JMOCEGHSRSBHNL-YPMHNXCESA-N -1 3 305.374 2.530 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000451854828 428999668 /nfs/dbraw/zinc/99/96/68/428999668.db2.gz NWDPHQZFRPYVKR-OCCSQVGLSA-N -1 3 319.492 2.624 20 0 DFADHM CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cccc(C)c1[O-] ZINC000375876603 429003708 /nfs/dbraw/zinc/00/37/08/429003708.db2.gz QUCBOVCAPNUNHW-CABCVRRESA-N -1 3 302.418 2.790 20 0 DFADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000354737190 429008363 /nfs/dbraw/zinc/00/83/63/429008363.db2.gz IWYIKJMCTGLKRV-JGVFFNPUSA-N -1 3 322.199 2.523 20 0 DFADHM COc1ccc(C(=O)N(C)[C@@H]2CCCc3cccnc32)c([O-])c1 ZINC000375889977 429008725 /nfs/dbraw/zinc/00/87/25/429008725.db2.gz JSKSEHJRZSYABC-OAHLLOKOSA-N -1 3 312.369 2.945 20 0 DFADHM CC[C@H](COCC(F)(F)F)NC(=O)c1cc(C)ccc1[O-] ZINC000452331691 429095404 /nfs/dbraw/zinc/09/54/04/429095404.db2.gz XHOUCEKKSQUXNI-SNVBAGLBSA-N -1 3 305.296 2.788 20 0 DFADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C1CC1 ZINC000451997240 429035476 /nfs/dbraw/zinc/03/54/76/429035476.db2.gz SUYRXRTVZWPJHW-SDBXPKJASA-N -1 3 321.801 2.571 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC(C(C)(C)C)C1)c2=O ZINC000412421553 429038883 /nfs/dbraw/zinc/03/88/83/429038883.db2.gz INYMLVYALKZIEH-UHFFFAOYSA-N -1 3 314.385 2.655 20 0 DFADHM COc1cc(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)cc(OC)c1[O-] ZINC000412478503 429049836 /nfs/dbraw/zinc/04/98/36/429049836.db2.gz QHYBDRGBANIKGU-TZMCWYRMSA-N -1 3 319.401 2.966 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H](C)CCOC)c([O-])c1 ZINC000412490067 429054262 /nfs/dbraw/zinc/05/42/62/429054262.db2.gz UWJBTVPQTSTTBX-CYBMUJFWSA-N -1 3 309.406 2.974 20 0 DFADHM COc1cccc(C(=O)Nc2nc3c(s2)CSCC3)c1[O-] ZINC000376106058 429058789 /nfs/dbraw/zinc/05/87/89/429058789.db2.gz DZCWOPHHICBBBS-UHFFFAOYSA-N -1 3 322.411 2.899 20 0 DFADHM CO[C@](C)([C@@H](C)NC(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000412593955 429066661 /nfs/dbraw/zinc/06/66/61/429066661.db2.gz MWDGSQWLKNKHFM-QLJPJBMISA-N -1 3 311.809 2.908 20 0 DFADHM C[C@@H]1C[C@@H](CNC(=O)c2cc3c(cc2[O-])CCCC3)[C@H](C)O1 ZINC000412686783 429082014 /nfs/dbraw/zinc/08/20/14/429082014.db2.gz NHZDVHIZZLOSGU-XUJVJEKNSA-N -1 3 303.402 2.814 20 0 DFADHM Cc1cc(C)cc(CN(C)C(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000434344375 429083188 /nfs/dbraw/zinc/08/31/88/429083188.db2.gz ZWWOIXCIXPLJPD-UHFFFAOYSA-N -1 3 313.401 2.617 20 0 DFADHM CCOc1cc([N-]S(=O)(=O)CCOCC2CC2)ccc1C ZINC000424067238 429085137 /nfs/dbraw/zinc/08/51/37/429085137.db2.gz OYRPISCVXVSMQE-UHFFFAOYSA-N -1 3 313.419 2.562 20 0 DFADHM O=C(c1ccccc1[O-])N1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000376362186 429099593 /nfs/dbraw/zinc/09/95/93/429099593.db2.gz XKJVRJPJNSUICR-CQSZACIVSA-N -1 3 301.317 2.825 20 0 DFADHM CCC(CC)(CNC(=O)[C@H](C(C)C)N1CCCCC1)C(=O)[O-] ZINC000424260400 429116989 /nfs/dbraw/zinc/11/69/89/429116989.db2.gz ZPOXMOCBNGMTPY-AWEZNQCLSA-N -1 3 312.454 2.504 20 0 DFADHM CC(=O)c1cc(F)ccc1OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000412984200 429118721 /nfs/dbraw/zinc/11/87/21/429118721.db2.gz OWDAXFSRPZRPIJ-UHFFFAOYSA-N -1 3 302.305 2.980 20 0 DFADHM O=C(c1ccccc1[O-])N1CCC(c2noc(C3CC3)n2)CC1 ZINC000364044689 429162384 /nfs/dbraw/zinc/16/23/84/429162384.db2.gz WZPXRZLBLMFOLK-UHFFFAOYSA-N -1 3 313.357 2.672 20 0 DFADHM O=C(c1ncn(-c2ccccc2)n1)N1CCCc2cccc([O-])c21 ZINC000182922227 275016301 /nfs/dbraw/zinc/01/63/01/275016301.db2.gz MVLPBBMWEGVDMB-UHFFFAOYSA-N -1 3 320.352 2.566 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCC2 ZINC000364020807 429158736 /nfs/dbraw/zinc/15/87/36/429158736.db2.gz HPYLZQXKNMPZLR-UHFFFAOYSA-N -1 3 305.341 2.608 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCC2 ZINC000364020807 429158739 /nfs/dbraw/zinc/15/87/39/429158739.db2.gz HPYLZQXKNMPZLR-UHFFFAOYSA-N -1 3 305.341 2.608 20 0 DFADHM CCC1(C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)CCC1 ZINC000495009641 429172653 /nfs/dbraw/zinc/17/26/53/429172653.db2.gz BGVXMVYUCBBXNY-NSHDSACASA-N -1 3 300.399 2.528 20 0 DFADHM CSc1c(F)cccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000436136069 429183311 /nfs/dbraw/zinc/18/33/11/429183311.db2.gz WTUZFVHTNFRGQR-UHFFFAOYSA-N -1 3 320.271 2.937 20 0 DFADHM CSc1c(F)cccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000436136069 429183314 /nfs/dbraw/zinc/18/33/14/429183314.db2.gz WTUZFVHTNFRGQR-UHFFFAOYSA-N -1 3 320.271 2.937 20 0 DFADHM CCOCCON=C([O-])Nc1cccc(-c2ncc(C)o2)c1 ZINC000364348079 429188188 /nfs/dbraw/zinc/18/81/88/429188188.db2.gz QCLUMFITVIICJZ-UHFFFAOYSA-N -1 3 305.334 2.740 20 0 DFADHM CCOCCO[N-]C(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000364348079 429188192 /nfs/dbraw/zinc/18/81/92/429188192.db2.gz QCLUMFITVIICJZ-UHFFFAOYSA-N -1 3 305.334 2.740 20 0 DFADHM CC(C)(C)OC(=O)C(C)(C)CCNC(=O)c1ccc(O)cc1[O-] ZINC000424947246 429211496 /nfs/dbraw/zinc/21/14/96/429211496.db2.gz FNNDOIREINQATD-UHFFFAOYSA-N -1 3 323.389 2.586 20 0 DFADHM CCOC(=O)Nc1ccc(OC(=O)c2cncc([O-])c2)cc1 ZINC000495578055 429226771 /nfs/dbraw/zinc/22/67/71/429226771.db2.gz JXIPRRCREDCAEF-UHFFFAOYSA-N -1 3 302.286 2.575 20 0 DFADHM COc1nnc(NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)[n-]1 ZINC000456016740 429231402 /nfs/dbraw/zinc/23/14/02/429231402.db2.gz MZXCQVDIQVOVJT-ZETCQYMHSA-N -1 3 314.267 2.731 20 0 DFADHM COc1nc(NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)n[n-]1 ZINC000456016740 429231406 /nfs/dbraw/zinc/23/14/06/429231406.db2.gz MZXCQVDIQVOVJT-ZETCQYMHSA-N -1 3 314.267 2.731 20 0 DFADHM COc1n[n-]c(NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)n1 ZINC000456016740 429231408 /nfs/dbraw/zinc/23/14/08/429231408.db2.gz MZXCQVDIQVOVJT-ZETCQYMHSA-N -1 3 314.267 2.731 20 0 DFADHM Cc1cc(C(=O)NCC(=O)C2CCC(F)(F)CC2)ccc1[O-] ZINC000424877775 429203978 /nfs/dbraw/zinc/20/39/78/429203978.db2.gz JLCPLQJBTTWUEI-UHFFFAOYSA-N -1 3 311.328 2.825 20 0 DFADHM CCn1ccnc1[C@H](C)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000456361302 429287221 /nfs/dbraw/zinc/28/72/21/429287221.db2.gz SBERJNGMUIUBLX-LBPRGKRZSA-N -1 3 313.401 2.978 20 0 DFADHM Cc1[nH]nc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1C ZINC000442818294 429236366 /nfs/dbraw/zinc/23/63/66/429236366.db2.gz GFMMPAFCRGFWLL-UHFFFAOYSA-N -1 3 315.251 2.883 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccco1 ZINC000445717145 429288319 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CC[C@](C)(C(=O)OC)N(Cc1nc(C)ccc1[O-])CC1CC1 ZINC000425344519 429268478 /nfs/dbraw/zinc/26/84/78/429268478.db2.gz CQUIMYWOWRZUPW-QGZVFWFLSA-N -1 3 306.406 2.649 20 0 DFADHM Cn1nccc1CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000444332449 429269745 /nfs/dbraw/zinc/26/97/45/429269745.db2.gz ZNQCOTWLHBAJJO-UHFFFAOYSA-N -1 3 321.380 2.898 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000456292271 429271639 /nfs/dbraw/zinc/27/16/39/429271639.db2.gz APTZMQALOGCVFF-WOPDTQHZSA-N -1 3 309.793 2.669 20 0 DFADHM CCOC(=O)N1CCC[C@@H](C(=O)[N-]O[C@H](C)c2ccccc2)C1 ZINC000495847949 429277755 /nfs/dbraw/zinc/27/77/55/429277755.db2.gz DNVNOMRZYKNEEM-UKRRQHHQSA-N -1 3 320.389 2.664 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000456344511 429282095 /nfs/dbraw/zinc/28/20/95/429282095.db2.gz XFMAMHPURPTMSI-KWCYVHTRSA-N -1 3 323.820 2.598 20 0 DFADHM CCCO[N-]C(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000497282118 429324329 /nfs/dbraw/zinc/32/43/29/429324329.db2.gz LGPOSTRWSGVZEK-ZDUSSCGKSA-N -1 3 314.426 2.872 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@@H](C)Cc2cnn(C)c2)c([O-])c1 ZINC000456432624 429305328 /nfs/dbraw/zinc/30/53/28/429305328.db2.gz HDDQNFKSVHGHJF-LBPRGKRZSA-N -1 3 301.390 2.610 20 0 DFADHM CC(=O)c1ccc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)o1 ZINC000448412264 429311702 /nfs/dbraw/zinc/31/17/02/429311702.db2.gz ZLGFGSOGVNIAMZ-UHFFFAOYSA-N -1 3 302.330 3.554 20 0 DFADHM COCc1ccc(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)o1 ZINC000448539146 429313590 /nfs/dbraw/zinc/31/35/90/429313590.db2.gz SAPNCGHFJJVPKB-UHFFFAOYSA-N -1 3 316.288 3.472 20 0 DFADHM CC(C)N(C(=O)c1cnc2c(cnn2C)c1[O-])C1CC(C)(C)C1 ZINC000457071481 429392474 /nfs/dbraw/zinc/39/24/74/429392474.db2.gz JSMJSWCXABGPAY-UHFFFAOYSA-N -1 3 316.405 2.713 20 0 DFADHM CCc1cc(C(=O)NC[C@H]2OCCc3ccccc32)ccc1[O-] ZINC000365867711 429392949 /nfs/dbraw/zinc/39/29/49/429392949.db2.gz VOCRWAALIHHQIE-GOSISDBHSA-N -1 3 311.381 2.998 20 0 DFADHM CCc1cc(C(=O)NC[C@@H]2CCCn3cc(C)nc32)ccc1[O-] ZINC000365881588 429393447 /nfs/dbraw/zinc/39/34/47/429393447.db2.gz MJSPBZNQPYOEQR-HNNXBMFYSA-N -1 3 313.401 2.767 20 0 DFADHM C[C@@H]1CC[C@@](CNCc2nc3ccccc3n2C)(CC(=O)[O-])C1 ZINC000426630724 429404260 /nfs/dbraw/zinc/40/42/60/429404260.db2.gz KQSCMVWRZIXBGT-ACJLOTCBSA-N -1 3 315.417 2.944 20 0 DFADHM Cc1ccc(F)c(CN[C@H](Cc2ccc(O)cc2)C(=O)[O-])c1 ZINC000426654511 429406265 /nfs/dbraw/zinc/40/62/65/429406265.db2.gz MAPOOESYBUNIMH-MRXNPFEDSA-N -1 3 303.333 2.625 20 0 DFADHM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1ccsc1Cl ZINC000426653366 429406437 /nfs/dbraw/zinc/40/64/37/429406437.db2.gz AYCHYJDLYCGMBA-GFCCVEGCSA-N -1 3 311.790 2.893 20 0 DFADHM Cc1ccc(-c2n[nH]cc2CNCc2ccc(C(=O)[O-])cc2)o1 ZINC000426691916 429407711 /nfs/dbraw/zinc/40/77/11/429407711.db2.gz MSHSTQPVAQBSNC-UHFFFAOYSA-N -1 3 311.341 2.966 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)CO2 ZINC000514639829 429366030 /nfs/dbraw/zinc/36/60/30/429366030.db2.gz RKZMMTBWQYOTOF-HNNXBMFYSA-N -1 3 320.352 2.644 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cn[n-]c1-c1ccccn1)CO2 ZINC000514639829 429366036 /nfs/dbraw/zinc/36/60/36/429366036.db2.gz RKZMMTBWQYOTOF-HNNXBMFYSA-N -1 3 320.352 2.644 20 0 DFADHM CCOc1ccccc1C=CC(=O)Nc1nnc(SC)[n-]1 ZINC000491503654 429367183 /nfs/dbraw/zinc/36/71/83/429367183.db2.gz DXMHAWRGWKSYSS-CMDGGOBGSA-N -1 3 304.375 2.577 20 0 DFADHM CCOc1ccccc1C=CC(=O)Nc1nc(SC)n[n-]1 ZINC000491503654 429367189 /nfs/dbraw/zinc/36/71/89/429367189.db2.gz DXMHAWRGWKSYSS-CMDGGOBGSA-N -1 3 304.375 2.577 20 0 DFADHM CCOc1ccccc1C=CC(=O)Nc1n[n-]c(SC)n1 ZINC000491503654 429367191 /nfs/dbraw/zinc/36/71/91/429367191.db2.gz DXMHAWRGWKSYSS-CMDGGOBGSA-N -1 3 304.375 2.577 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2ccc(OC(C)C)cc2)[n-]1 ZINC000491503493 429367401 /nfs/dbraw/zinc/36/74/01/429367401.db2.gz CZMKVVBOMGBPLQ-TWGQIWQCSA-N -1 3 318.402 2.966 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2ccc(OC(C)C)cc2)n1 ZINC000491503493 429367407 /nfs/dbraw/zinc/36/74/07/429367407.db2.gz CZMKVVBOMGBPLQ-TWGQIWQCSA-N -1 3 318.402 2.966 20 0 DFADHM CSc1nc(NC(=O)C=Cc2ccc(OC(C)C)cc2)n[n-]1 ZINC000491503493 429367408 /nfs/dbraw/zinc/36/74/08/429367408.db2.gz CZMKVVBOMGBPLQ-TWGQIWQCSA-N -1 3 318.402 2.966 20 0 DFADHM COc1ccc(C=CC(=O)Nc2nnc(SC)[n-]2)cc1Cl ZINC000491503613 429368047 /nfs/dbraw/zinc/36/80/47/429368047.db2.gz DOCANOMSWZWCIP-GQCTYLIASA-N -1 3 324.793 2.841 20 0 DFADHM COc1ccc(C=CC(=O)Nc2nc(SC)n[n-]2)cc1Cl ZINC000491503613 429368053 /nfs/dbraw/zinc/36/80/53/429368053.db2.gz DOCANOMSWZWCIP-GQCTYLIASA-N -1 3 324.793 2.841 20 0 DFADHM COc1ccc(C=CC(=O)Nc2n[n-]c(SC)n2)cc1Cl ZINC000491503613 429368058 /nfs/dbraw/zinc/36/80/58/429368058.db2.gz DOCANOMSWZWCIP-GQCTYLIASA-N -1 3 324.793 2.841 20 0 DFADHM CCc1cc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)ccc1[O-] ZINC000365852092 429387914 /nfs/dbraw/zinc/38/79/14/429387914.db2.gz ALPNNLXVIPQSKN-HNNXBMFYSA-N -1 3 315.373 2.582 20 0 DFADHM Cc1ccc([C@@H](NCc2ccc3c(c2)ncn3C)C(=O)[O-])cc1 ZINC000426714366 429410745 /nfs/dbraw/zinc/41/07/45/429410745.db2.gz MKJNOXWYEGPKGN-QGZVFWFLSA-N -1 3 309.369 2.797 20 0 DFADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1nccn1-c1ccccc1 ZINC000366234298 429438425 /nfs/dbraw/zinc/43/84/25/429438425.db2.gz DQHXIADNUGCTCG-SNVBAGLBSA-N -1 3 314.370 2.525 20 0 DFADHM CC(C)[C@@H](NCc1nc(=O)[n-][nH]1)c1ccc(C(F)(F)F)cc1 ZINC000271683494 275675091 /nfs/dbraw/zinc/67/50/91/275675091.db2.gz CIHZKQBWJJOENY-GFCCVEGCSA-N -1 3 314.311 2.604 20 0 DFADHM CCS[C@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000427224778 429441429 /nfs/dbraw/zinc/44/14/29/429441429.db2.gz SYADGEHMZAMGBB-KGLIPLIRSA-N -1 3 323.462 2.522 20 0 DFADHM Cc1cnc([C@@H](C)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cn1 ZINC000518991275 429443006 /nfs/dbraw/zinc/44/30/06/429443006.db2.gz HKNIGHBSVBSOQU-RDTXWAMCSA-N -1 3 311.385 2.574 20 0 DFADHM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc2n[n-]nc2c1 ZINC000519059853 429445425 /nfs/dbraw/zinc/44/54/25/429445425.db2.gz YNNHSGYNNDEKGA-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM CCc1ccc(C(=O)N(Cc2cnn(C)c2)CC(C)C)c([O-])c1 ZINC000457347880 429447384 /nfs/dbraw/zinc/44/73/84/429447384.db2.gz ZDFVKMHVAHPCRX-UHFFFAOYSA-N -1 3 315.417 2.987 20 0 DFADHM O=C(/C=C\c1ccc(OC(F)F)cc1)NCc1ncccc1[O-] ZINC000491997477 429447950 /nfs/dbraw/zinc/44/79/50/429447950.db2.gz FSXLRXYRFLLHFP-YVMONPNESA-N -1 3 320.295 2.718 20 0 DFADHM CC(C)[C@@H](CC(F)(F)F)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492013409 429450711 /nfs/dbraw/zinc/45/07/11/429450711.db2.gz DDPYJKJLYQFLEE-VSQXVHSFSA-N -1 3 302.296 2.894 20 0 DFADHM CSCCO[N-]C(=O)/C=C\c1cc(Br)cs1 ZINC000492016193 429453113 /nfs/dbraw/zinc/45/31/13/429453113.db2.gz FXARAAXIBMRLDR-IHWYPQMZSA-N -1 3 322.249 2.935 20 0 DFADHM Cc1cc(Br)c(CN[C@H]2C[C@H](C(=O)[O-])C2)s1 ZINC000519425338 429458670 /nfs/dbraw/zinc/45/86/70/429458670.db2.gz NBVRKDZOFQWORL-ZKCHVHJHSA-N -1 3 304.209 2.772 20 0 DFADHM Cn1c(CN[C@@H]2CCC[C@]2(C)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000426750842 429414194 /nfs/dbraw/zinc/41/41/94/429414194.db2.gz QPJFHSNPEFDTGP-CJNGLKHVSA-N -1 3 321.808 2.960 20 0 DFADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1F ZINC000426807106 429417124 /nfs/dbraw/zinc/41/71/24/429417124.db2.gz METHBMMEPQYPJY-OAHLLOKOSA-N -1 3 307.296 2.889 20 0 DFADHM COCc1cccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426796156 429417385 /nfs/dbraw/zinc/41/73/85/429417385.db2.gz ALEOMQDLIOBWPD-INIZCTEOSA-N -1 3 303.333 2.888 20 0 DFADHM CCC[C@@H](C)C[C@H](NCc1cc2c(cc1OC)OCO2)C(=O)[O-] ZINC000426790256 429418054 /nfs/dbraw/zinc/41/80/54/429418054.db2.gz BXTKPCDHPTWNCA-YPMHNXCESA-N -1 3 323.389 2.793 20 0 DFADHM Cc1ccoc1CN[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000426819030 429419885 /nfs/dbraw/zinc/41/98/85/429419885.db2.gz HASKRHJQVVOCGQ-HNNXBMFYSA-N -1 3 316.332 2.994 20 0 DFADHM CCCSC[C@@H](NCc1cc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000426830275 429420110 /nfs/dbraw/zinc/42/01/10/429420110.db2.gz WVCANRLLEXCUTQ-OAHLLOKOSA-N -1 3 319.430 2.763 20 0 DFADHM CC(C)(CNC(=O)c1c[n-]nc1-c1ccccn1)C(F)(F)F ZINC000518451333 429420849 /nfs/dbraw/zinc/42/08/49/429420849.db2.gz RANCPSKUSKKRSQ-UHFFFAOYSA-N -1 3 312.295 2.790 20 0 DFADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Cc1cncc([O-])c1 ZINC000518396932 429420906 /nfs/dbraw/zinc/42/09/06/429420906.db2.gz KBCUOLUWCLQTRM-LLVKDONJSA-N -1 3 300.333 2.615 20 0 DFADHM Cc1cnc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000427802848 429470167 /nfs/dbraw/zinc/47/01/67/429470167.db2.gz ANGJXTBFAYZXIF-DYVFJYSZSA-N -1 3 313.401 2.517 20 0 DFADHM Cc1cnc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000427802850 429470189 /nfs/dbraw/zinc/47/01/89/429470189.db2.gz ANGJXTBFAYZXIF-GUYCJALGSA-N -1 3 313.401 2.517 20 0 DFADHM CCc1cccc(C(=O)Nc2ccc(CC(=O)OC)cc2)c1[O-] ZINC000518518501 429425721 /nfs/dbraw/zinc/42/57/21/429425721.db2.gz IUMAYJDQMGEXIM-UHFFFAOYSA-N -1 3 313.353 2.922 20 0 DFADHM CC1(C)C[C@H](CNC(=O)Cc2ccc([O-])cc2Cl)CCO1 ZINC000457223335 429428748 /nfs/dbraw/zinc/42/87/48/429428748.db2.gz YBWMVVDGVWXWTA-LLVKDONJSA-N -1 3 311.809 2.910 20 0 DFADHM CCN(C(=O)CNC(=O)c1cccc([O-])c1)[C@@H]1CCCC[C@@H]1C ZINC000427129106 429433360 /nfs/dbraw/zinc/43/33/60/429433360.db2.gz TYFJCBFUXLXCGI-XJKSGUPXSA-N -1 3 318.417 2.549 20 0 DFADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3C[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000518908818 429437694 /nfs/dbraw/zinc/43/76/94/429437694.db2.gz QYAJJCIXJIIIQD-GWCFXTLKSA-N -1 3 312.373 2.935 20 0 DFADHM O=C(CNC(=O)CC1CCCC1)Nc1c([O-])cccc1Cl ZINC000520778898 429528647 /nfs/dbraw/zinc/52/86/47/429528647.db2.gz YQZGJSDTUZILMH-UHFFFAOYSA-N -1 3 310.781 2.681 20 0 DFADHM CC(C)c1nc2c(n1C)CCN(Cc1cc([O-])cc(F)c1)C2 ZINC000186221732 275762178 /nfs/dbraw/zinc/76/21/78/275762178.db2.gz QPOIUNBZQMOMPE-UHFFFAOYSA-N -1 3 303.381 2.947 20 0 DFADHM CC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])c2ccccc21 ZINC000362738966 275773385 /nfs/dbraw/zinc/77/33/85/275773385.db2.gz WSOAXTGEDFEULJ-HNNXBMFYSA-N -1 3 310.353 2.620 20 0 DFADHM Cc1ccc([O-])c(CN2CCC(OCCOC(C)C)CC2)n1 ZINC000449721062 429488486 /nfs/dbraw/zinc/48/84/86/429488486.db2.gz BQACMBLPOWETIN-UHFFFAOYSA-N -1 3 308.422 2.502 20 0 DFADHM COC(=O)[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(OC)cc1 ZINC000428083975 429489284 /nfs/dbraw/zinc/48/92/84/429489284.db2.gz MBMCTHGVDAWPRU-INIZCTEOSA-N -1 3 319.332 2.544 20 0 DFADHM C[C@H]1COCC[C@H]1NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000519803514 429489996 /nfs/dbraw/zinc/48/99/96/429489996.db2.gz ZQVZLJXPSKFGAL-CMPLNLGQSA-N -1 3 313.357 2.596 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](OCC3CC3)C2)c1 ZINC000428116382 429492210 /nfs/dbraw/zinc/49/22/10/429492210.db2.gz QMILBRYXVFLQGR-HNNXBMFYSA-N -1 3 303.402 2.986 20 0 DFADHM CCN(Cc1ncccc1[O-])[C@H](COC)Cc1ccccc1 ZINC000519846439 429493845 /nfs/dbraw/zinc/49/38/45/429493845.db2.gz CGXLYNGPUKAWMY-INIZCTEOSA-N -1 3 300.402 2.867 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1c[n-]c2ccncc2c1=O ZINC000520189800 429502824 /nfs/dbraw/zinc/50/28/24/429502824.db2.gz QAKNNJVVSHDRHI-MLGOLLRUSA-N -1 3 313.401 2.964 20 0 DFADHM O=C(Cc1cncc([O-])c1)NCC1(Cc2ccc(F)cc2)CC1 ZINC000520252783 429507705 /nfs/dbraw/zinc/50/77/05/429507705.db2.gz GQVQEVRHZAAPPM-UHFFFAOYSA-N -1 3 314.360 2.608 20 0 DFADHM COc1cc2c(cc1CN1CC[C@H](C)[C@H](C(=O)[O-])C1)O[C@H](C)C2 ZINC000520406905 429513421 /nfs/dbraw/zinc/51/34/21/429513421.db2.gz UVCMYWCBBBALMK-YWPYICTPSA-N -1 3 319.401 2.561 20 0 DFADHM C[C@H]1CC[C@@](C)(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1(C)C ZINC000457718280 429514499 /nfs/dbraw/zinc/51/44/99/429514499.db2.gz CSTYTFQVLMFSKC-SDBXPKJASA-N -1 3 318.343 2.902 20 0 DFADHM C[C@H]1CC[C@@](C)(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1(C)C ZINC000457718280 429514502 /nfs/dbraw/zinc/51/45/02/429514502.db2.gz CSTYTFQVLMFSKC-SDBXPKJASA-N -1 3 318.343 2.902 20 0 DFADHM C[C@H]1CC[C@@](C)(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1(C)C ZINC000457718280 429514506 /nfs/dbraw/zinc/51/45/06/429514506.db2.gz CSTYTFQVLMFSKC-SDBXPKJASA-N -1 3 318.343 2.902 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)C[C@H]3CCCO3)ccc2[n-]1 ZINC000449838120 429521176 /nfs/dbraw/zinc/52/11/76/429521176.db2.gz DBTFRETVUWUHTG-WCQYABFASA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)C[C@H]3CCCO3)cc2[n-]1 ZINC000449838120 429521179 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C[C@]1(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)C[C@@H]1F ZINC000521428254 429552040 /nfs/dbraw/zinc/55/20/40/429552040.db2.gz DNWNUIHJRSYGSE-NHYWBVRUSA-N -1 3 300.293 2.905 20 0 DFADHM C[C@]1(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)C[C@@H]1F ZINC000521428254 429552043 /nfs/dbraw/zinc/55/20/43/429552043.db2.gz DNWNUIHJRSYGSE-NHYWBVRUSA-N -1 3 300.293 2.905 20 0 DFADHM C[C@]1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C[C@@H]1F ZINC000521428254 429552047 /nfs/dbraw/zinc/55/20/47/429552047.db2.gz DNWNUIHJRSYGSE-NHYWBVRUSA-N -1 3 300.293 2.905 20 0 DFADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H](C)c1ccccc1 ZINC000521458124 429552923 /nfs/dbraw/zinc/55/29/23/429552923.db2.gz BXYAPOMAIDEVHJ-NWDGAFQWSA-N -1 3 311.385 2.982 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCc2ccc(F)c(F)c2C1 ZINC000492518672 429556213 /nfs/dbraw/zinc/55/62/13/429556213.db2.gz HMMCKHZZGDJHST-RJRFIUFISA-N -1 3 316.307 2.664 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NCc1coc(-c2ccccc2)n1 ZINC000492520708 429556299 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/nfs/dbraw/zinc/74/64/09/429746409.db2.gz JDIMSACHKKMKPR-CQSZACIVSA-N -1 3 304.394 2.529 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NCc1ccc2ncccc2c1 ZINC000493233247 429718391 /nfs/dbraw/zinc/71/83/91/429718391.db2.gz NTHSNCGBMOOFKQ-XQRVVYSFSA-N -1 3 305.337 2.665 20 0 DFADHM CCCc1nc(C)c(NC(=O)c2cccc3nn[n-]c32)s1 ZINC000527114536 429723204 /nfs/dbraw/zinc/72/32/04/429723204.db2.gz WFEMMDRXGBJFPP-UHFFFAOYSA-N -1 3 301.375 2.928 20 0 DFADHM CCCc1nc(C)c(NC(=O)c2cccc3[n-]nnc32)s1 ZINC000527114536 429723209 /nfs/dbraw/zinc/72/32/09/429723209.db2.gz WFEMMDRXGBJFPP-UHFFFAOYSA-N -1 3 301.375 2.928 20 0 DFADHM CCCc1nc(C)c(NC(=O)c2cccc3n[n-]nc32)s1 ZINC000527114536 429723213 /nfs/dbraw/zinc/72/32/13/429723213.db2.gz WFEMMDRXGBJFPP-UHFFFAOYSA-N -1 3 301.375 2.928 20 0 DFADHM Cc1ccc(C)n1C1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000527106008 429724677 /nfs/dbraw/zinc/72/46/77/429724677.db2.gz NQNVRIHWKMOOIS-UHFFFAOYSA-N -1 3 323.400 2.854 20 0 DFADHM Cc1ccc(C)n1C1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000527106008 429724681 /nfs/dbraw/zinc/72/46/81/429724681.db2.gz NQNVRIHWKMOOIS-UHFFFAOYSA-N -1 3 323.400 2.854 20 0 DFADHM Cc1ccc(C)n1C1CCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000527106008 429724688 /nfs/dbraw/zinc/72/46/88/429724688.db2.gz NQNVRIHWKMOOIS-UHFFFAOYSA-N -1 3 323.400 2.854 20 0 DFADHM C[C@H]1CCCC[C@@H]1OCCN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450914241 429729115 /nfs/dbraw/zinc/72/91/15/429729115.db2.gz LXESNAVLLSOSFI-JSGCOSHPSA-N -1 3 309.410 2.550 20 0 DFADHM COc1cccc([C@H](C)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000450918470 429729661 /nfs/dbraw/zinc/72/96/61/429729661.db2.gz JDDWMUKUPDNPEQ-NSHDSACASA-N -1 3 303.362 2.724 20 0 DFADHM O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)[N-]OCCCO ZINC000493302922 429731923 /nfs/dbraw/zinc/73/19/23/429731923.db2.gz MCTMQBHQNAUVRD-VQHVLOKHSA-N -1 3 321.373 2.998 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cn1 ZINC000430986231 429733344 /nfs/dbraw/zinc/73/33/44/429733344.db2.gz ZVXVYPXUZSTZDR-UHFFFAOYSA-N -1 3 302.277 2.608 20 0 DFADHM COCCN(C[C@@H]1CC=CCC1)C(=O)/C=C/c1cncc([O-])c1 ZINC000493313235 429734185 /nfs/dbraw/zinc/73/41/85/429734185.db2.gz ABSOOBGIHKYRLJ-MVGZEHJDSA-N -1 3 316.401 2.632 20 0 DFADHM COC(C)(C)CN(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000527262973 429738979 /nfs/dbraw/zinc/73/89/79/429738979.db2.gz DJIHNBAYVLOCSV-UHFFFAOYSA-N -1 3 305.296 2.908 20 0 DFADHM CCc1ccc(C(=O)NC2(C(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000527297078 429740589 /nfs/dbraw/zinc/74/05/89/429740589.db2.gz RRRYOQNLDMBIHS-UHFFFAOYSA-N -1 3 324.380 2.856 20 0 DFADHM COc1cc(F)c(F)cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000493346970 429741635 /nfs/dbraw/zinc/74/16/35/429741635.db2.gz BDEQFYQCMHLGDZ-NSCUHMNNSA-N -1 3 306.268 2.726 20 0 DFADHM CCOc1nc2cc(C(=O)NCC3(SC)CC3)ccc2[n-]1 ZINC000451267742 429799539 /nfs/dbraw/zinc/79/95/39/429799539.db2.gz JTRNSKSDAOMEMX-UHFFFAOYSA-N -1 3 305.403 2.587 20 0 DFADHM CCOc1nc2ccc(C(=O)NCC3(SC)CC3)cc2[n-]1 ZINC000451267742 429799543 /nfs/dbraw/zinc/79/95/43/429799543.db2.gz JTRNSKSDAOMEMX-UHFFFAOYSA-N -1 3 305.403 2.587 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCO[C@@H](c2ccco2)C1 ZINC000368164589 429800873 /nfs/dbraw/zinc/80/08/73/429800873.db2.gz ODUZMPDWTDGKJC-CQSZACIVSA-N -1 3 307.733 2.852 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)c(F)c1 ZINC000431275522 429750713 /nfs/dbraw/zinc/75/07/13/429750713.db2.gz RHVBKWHHNVWOPG-UHFFFAOYSA-N -1 3 321.373 2.643 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)C12CCC(C(F)(F)F)(CC1)CC2 ZINC000367955673 429751328 /nfs/dbraw/zinc/75/13/28/429751328.db2.gz KLALLLUOTLBXRI-LMWSTFAQSA-N -1 3 321.339 2.974 20 0 DFADHM Cn1cccc1CN=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000367958360 429752736 /nfs/dbraw/zinc/75/27/36/429752736.db2.gz SEHQLVNNDAHKBC-UHFFFAOYSA-N -1 3 301.781 2.508 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CC(C)(C)N2CCCCC2)c1 ZINC000451038451 429753915 /nfs/dbraw/zinc/75/39/15/429753915.db2.gz URBHKFDAWJOQCA-UHFFFAOYSA-N -1 3 316.492 2.599 20 0 DFADHM CC(F)(F)C(=O)[N-]Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000367970213 429755241 /nfs/dbraw/zinc/75/52/41/429755241.db2.gz 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429762778 /nfs/dbraw/zinc/76/27/78/429762778.db2.gz SCPCFEOZNIBBGQ-JTQLQIEISA-N -1 3 307.362 2.634 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)cc(C)c1OC)C(F)F ZINC000451079464 429763393 /nfs/dbraw/zinc/76/33/93/429763393.db2.gz HJPFKFTYEKIDPB-SNVBAGLBSA-N -1 3 307.362 2.634 20 0 DFADHM O=S(=O)(CCC1CC1)Nc1cc([O-])cc(Br)c1 ZINC000451105412 429769140 /nfs/dbraw/zinc/76/91/40/429769140.db2.gz MVSKJZLKHKAFMT-UHFFFAOYSA-N -1 3 320.208 2.697 20 0 DFADHM CC(C)OCCO[N-]C(=O)/C=C\c1ccc(F)c(Cl)c1 ZINC000493489368 429772909 /nfs/dbraw/zinc/77/29/09/429772909.db2.gz IEBVUGMQIODVQJ-XQRVVYSFSA-N -1 3 301.745 2.965 20 0 DFADHM CC(C)Oc1cccc(/C=C/C(=O)[N-]O[C@@H](CO)C(C)C)c1 ZINC000493492140 429772994 /nfs/dbraw/zinc/77/29/94/429772994.db2.gz JXGWGPOKZRKJJL-FDMDGMSGSA-N -1 3 307.390 2.552 20 0 DFADHM Cc1ncsc1C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000451163969 429778741 /nfs/dbraw/zinc/77/87/41/429778741.db2.gz GCOVVDCMUFSJCW-SNVBAGLBSA-N -1 3 324.418 2.696 20 0 DFADHM O=C(NCc1nccn1C(F)F)c1cc([O-])ccc1Cl ZINC000431776678 429783001 /nfs/dbraw/zinc/78/30/01/429783001.db2.gz SCLDGLBILYJDHJ-UHFFFAOYSA-N -1 3 301.680 2.567 20 0 DFADHM COCCO[N-]C(=O)/C=C\c1ccc(C(F)(F)F)c(C)c1 ZINC000493566796 429787142 /nfs/dbraw/zinc/78/71/42/429787142.db2.gz ZTRKGIHONMRKBZ-XQRVVYSFSA-N -1 3 303.280 2.721 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)c2cc3n(n2)CCCO3)c1[O-] ZINC000431881864 429788280 /nfs/dbraw/zinc/78/82/80/429788280.db2.gz LOUWODIYVJVKTH-UHFFFAOYSA-N -1 3 307.737 2.585 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)[n-]1 ZINC000431936577 429791085 /nfs/dbraw/zinc/79/10/85/429791085.db2.gz IQLLTRGJOTXYTP-UHFFFAOYSA-N -1 3 322.324 2.511 20 0 DFADHM CCCOc1cccc(NC(=O)c2c[n-]c(C(=O)OC)c2)c1 ZINC000431959295 429792105 /nfs/dbraw/zinc/79/21/05/429792105.db2.gz RZDDGTIDQHSFSR-UHFFFAOYSA-N -1 3 302.330 2.842 20 0 DFADHM Cn1ccnc1[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000368252614 429817025 /nfs/dbraw/zinc/81/70/25/429817025.db2.gz YTZDRDGDTHHDRI-CYBMUJFWSA-N -1 3 305.765 2.756 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000451358290 429817251 /nfs/dbraw/zinc/81/72/51/429817251.db2.gz IRSZETXBKSGPQQ-NWDGAFQWSA-N -1 3 317.476 2.929 20 0 DFADHM Cc1ccccc1-c1nc(=N[C@@H]2CCN(C)[C@H](C)C2)s[n-]1 ZINC000527902877 429818445 /nfs/dbraw/zinc/81/84/45/429818445.db2.gz HJNVSXAHJQHNPR-CHWSQXEVSA-N -1 3 302.447 2.830 20 0 DFADHM CCC(CC)c1nnc([N-]C(=O)c2cn(C(C)C)nn2)s1 ZINC000432413021 429821405 /nfs/dbraw/zinc/82/14/05/429821405.db2.gz FFXPMMSAQFPXBM-UHFFFAOYSA-N -1 3 308.411 2.866 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)[n-]1 ZINC000432412689 429822289 /nfs/dbraw/zinc/82/22/89/429822289.db2.gz HXUWHONJLUURFW-UHFFFAOYSA-N -1 3 307.375 2.808 20 0 DFADHM Cc1ccccc1-c1nc(=NCC2(N(C)C)CCC2)s[n-]1 ZINC000527976188 429829996 /nfs/dbraw/zinc/82/99/96/429829996.db2.gz DXXPECUFISNGAF-UHFFFAOYSA-N -1 3 302.447 2.832 20 0 DFADHM CC(C)[C@H](CO)O[N-]C(=O)/C=C\Sc1cc(F)ccc1F ZINC000493844835 429839639 /nfs/dbraw/zinc/83/96/39/429839639.db2.gz CKQJEEJNOSFAFX-FJOGCWAESA-N 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/nfs/dbraw/zinc/81/20/69/429812069.db2.gz CZXCZKPLAQOTBF-WCQYABFASA-N -1 3 323.439 2.900 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)s1 ZINC000528499879 429893917 /nfs/dbraw/zinc/89/39/17/429893917.db2.gz QORSSKNXZDNDQM-AWEZNQCLSA-N -1 3 323.443 2.666 20 0 DFADHM CSc1ccc(C(=O)NC[C@H]2COC3(CCCC3)O2)c([O-])c1 ZINC000368942415 429902932 /nfs/dbraw/zinc/90/29/32/429902932.db2.gz WCRXZVIUBYMRJM-NSHDSACASA-N -1 3 323.414 2.530 20 0 DFADHM CCc1c([N-]C(=O)c2snnc2C)onc1C(F)(F)F ZINC000288087798 276659641 /nfs/dbraw/zinc/65/96/41/276659641.db2.gz ZKGAPRQTUMJDOO-UHFFFAOYSA-N -1 3 306.269 2.668 20 0 DFADHM Cc1cccc(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000369236238 429921332 /nfs/dbraw/zinc/92/13/32/429921332.db2.gz MQIZWBWNUWACPH-HUUCEWRRSA-N -1 3 303.402 2.979 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000528877493 429926844 /nfs/dbraw/zinc/92/68/44/429926844.db2.gz OYSDVZCZCJZNML-NUEKZKHPSA-N -1 3 314.772 2.869 20 0 DFADHM CC[C@H](C)CCCCC(=O)N1CC[C@@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000630724314 429967494 /nfs/dbraw/zinc/96/74/94/429967494.db2.gz SQIQSAOGVJRCIX-QWHCGFSZSA-N -1 3 320.437 2.687 20 0 DFADHM O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1csc(-c2ccccc2)n1 ZINC000573658177 429970426 /nfs/dbraw/zinc/97/04/26/429970426.db2.gz WWKOYPKAYSSHNS-IMRBUKKESA-N -1 3 320.439 2.887 20 0 DFADHM O=C([O-])[C@H]1COCCN1CC1CCC(c2ccccc2)CC1 ZINC000573678911 429971354 /nfs/dbraw/zinc/97/13/54/429971354.db2.gz PIGLVTIRNSJIMU-BDVYOWHSSA-N -1 3 303.402 2.746 20 0 DFADHM Cc1ncc(CN[C@H](C)c2cnn(C3CCCC3)c2)c(=O)[n-]1 ZINC000558621133 429979818 /nfs/dbraw/zinc/97/98/18/429979818.db2.gz MRCFVMQBMSWQOD-LLVKDONJSA-N -1 3 301.394 2.653 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)c1 ZINC000557198293 429932373 /nfs/dbraw/zinc/93/23/73/429932373.db2.gz XBRDFUXUGBRBJH-KRWDZBQOSA-N -1 3 324.424 2.700 20 0 DFADHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)N1CCCCC1 ZINC000557271472 429935552 /nfs/dbraw/zinc/93/55/52/429935552.db2.gz ZDLHNKDUPKOYLC-LLVKDONJSA-N -1 3 321.446 2.694 20 0 DFADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)nn1C1CCOCC1 ZINC000528921516 429935513 /nfs/dbraw/zinc/93/55/13/429935513.db2.gz XHTTZWICJKGPPH-UHFFFAOYSA-N -1 3 319.336 2.640 20 0 DFADHM CCC(CC)c1nnc([N-]C(=O)c2nn(C)cc2Cl)s1 ZINC000624516032 429935541 /nfs/dbraw/zinc/93/55/41/429935541.db2.gz VWCMZPKDPHEMNT-UHFFFAOYSA-N -1 3 313.814 3.081 20 0 DFADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@H](C)C1(F)F ZINC000636823380 429936143 /nfs/dbraw/zinc/93/61/43/429936143.db2.gz BOSGATSMJZGAFX-AOOOYVTPSA-N -1 3 316.323 2.964 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000573264012 429938033 /nfs/dbraw/zinc/93/80/33/429938033.db2.gz QEHRCOWVPKRALJ-GRYCIOLGSA-N -1 3 305.378 2.741 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000573264012 429938038 /nfs/dbraw/zinc/93/80/38/429938038.db2.gz QEHRCOWVPKRALJ-GRYCIOLGSA-N -1 3 305.378 2.741 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)C1(C(F)F)CCC1 ZINC000639669695 429939567 /nfs/dbraw/zinc/93/95/67/429939567.db2.gz YFKNZHMTHAWQES-UHFFFAOYSA-N -1 3 310.279 2.985 20 0 DFADHM CCOc1cccc([C@H](C)NC(=O)Cc2cncc([O-])c2)c1 ZINC000557572192 429944523 /nfs/dbraw/zinc/94/45/23/429944523.db2.gz LSDQWZARHHVXHV-LBPRGKRZSA-N -1 3 300.358 2.606 20 0 DFADHM Cc1ccc(OCCCCNC(=O)Cc2cncc([O-])c2)cc1 ZINC000557541031 429945266 /nfs/dbraw/zinc/94/52/66/429945266.db2.gz KEKYPTMENPCGRS-UHFFFAOYSA-N -1 3 314.385 2.614 20 0 DFADHM CCn1c2ccccc2nc1CN1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000573354934 429947230 /nfs/dbraw/zinc/94/72/30/429947230.db2.gz BULCNQLUWQQEEE-QWHCGFSZSA-N -1 3 301.390 2.599 20 0 DFADHM C[C@H](CNC(=O)Cc1cncc([O-])c1)Oc1ccc(Cl)cc1 ZINC000557633973 429948212 /nfs/dbraw/zinc/94/82/12/429948212.db2.gz PQYKMNKFWSPPJA-LLVKDONJSA-N -1 3 320.776 2.567 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000529585181 430035263 /nfs/dbraw/zinc/03/52/63/430035263.db2.gz QVXVNYHUDQPTMJ-UPJWGTAASA-N -1 3 302.374 2.517 20 0 DFADHM Cc1cc(OCC(=O)N(C)[C@H](C)CC(C)C)cc2occ([O-])c21 ZINC000634561262 430035803 /nfs/dbraw/zinc/03/58/03/430035803.db2.gz TVTKNVNTTCLOHF-CYBMUJFWSA-N -1 3 319.401 2.842 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)C(C)(C)[C@H]3CCCCO3)[n-]2)o1 ZINC000639963563 430036193 /nfs/dbraw/zinc/03/61/93/430036193.db2.gz AWDLWVOFYRRHMB-GFCCVEGCSA-N -1 3 318.377 2.907 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)C(C)(C)[C@H]3CCCCO3)n2)o1 ZINC000639963563 430036198 /nfs/dbraw/zinc/03/61/98/430036198.db2.gz AWDLWVOFYRRHMB-GFCCVEGCSA-N -1 3 318.377 2.907 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)C(C)(C)[C@H]3CCCCO3)n[n-]2)o1 ZINC000639963563 430036203 /nfs/dbraw/zinc/03/62/03/430036203.db2.gz AWDLWVOFYRRHMB-GFCCVEGCSA-N -1 3 318.377 2.907 20 0 DFADHM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cccc([O-])c1F ZINC000558956860 429995590 /nfs/dbraw/zinc/99/55/90/429995590.db2.gz AGAJKZKPQSOOJF-UHFFFAOYSA-N -1 3 317.242 2.694 20 0 DFADHM CN(Cc1ccc(Oc2ccccc2)nn1)C(C)(C)C(=O)[O-] ZINC000573974966 429999981 /nfs/dbraw/zinc/99/99/81/429999981.db2.gz 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/nfs/dbraw/zinc/05/34/64/430053464.db2.gz HEKZITQBWRRUQX-NSHDSACASA-N -1 3 321.324 2.592 20 0 DFADHM [O-]c1cccc(CNc2cc3n(n2)CCCC3)c1Br ZINC000560610430 430058475 /nfs/dbraw/zinc/05/84/75/430058475.db2.gz CVFZIVACPLJGFA-UHFFFAOYSA-N -1 3 322.206 3.300 20 0 DFADHM Cc1c(F)cccc1[N-]S(=O)(=O)CCOCC1CCC1 ZINC000634789598 430113657 /nfs/dbraw/zinc/11/36/57/430113657.db2.gz WBVXKLCHTUUMMW-UHFFFAOYSA-N -1 3 301.383 2.693 20 0 DFADHM COC1(CS(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)CCC1 ZINC000634790177 430113708 /nfs/dbraw/zinc/11/37/08/430113708.db2.gz VOJHYBWIURAICU-UHFFFAOYSA-N -1 3 323.414 2.516 20 0 DFADHM CC(C)(C)OCc1cc(C(=O)[N-]c2nccc(C3CC3)n2)no1 ZINC000637535530 430074279 /nfs/dbraw/zinc/07/42/79/430074279.db2.gz BQAZQQWIKIDTKA-UHFFFAOYSA-N -1 3 316.361 2.909 20 0 DFADHM CCCOc1cncc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000529843125 430075889 /nfs/dbraw/zinc/07/58/89/430075889.db2.gz PTVXMFDWLLWXPA-UHFFFAOYSA-N -1 3 314.267 2.865 20 0 DFADHM CCCOc1cncc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000529843125 430075893 /nfs/dbraw/zinc/07/58/93/430075893.db2.gz PTVXMFDWLLWXPA-UHFFFAOYSA-N -1 3 314.267 2.865 20 0 DFADHM COc1cccc([C@@H](C(=O)[O-])N2CCC(OC(C)C)CC2)c1 ZINC000634690624 430079885 /nfs/dbraw/zinc/07/98/85/430079885.db2.gz PNJKNCYTJRYEHC-INIZCTEOSA-N -1 3 307.390 2.710 20 0 DFADHM CCC(C)(C)N1CCN(C(=O)CC2(C(=O)[O-])CCCCC2)CC1 ZINC000634925107 430162083 /nfs/dbraw/zinc/16/20/83/430162083.db2.gz PJYLRWLNASHLDV-UHFFFAOYSA-N -1 3 324.465 2.744 20 0 DFADHM Cc1csc(C[N-]S(=O)(=O)c2nc(C)c(C)s2)c1 ZINC000562737266 430175291 /nfs/dbraw/zinc/17/52/91/430175291.db2.gz ZAEQUNQQZQHKPZ-UHFFFAOYSA-N -1 3 302.446 2.608 20 0 DFADHM O=C([O-])CC1(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000581078663 430176090 /nfs/dbraw/zinc/17/60/90/430176090.db2.gz ZJLRZZZKKULHEX-CQSZACIVSA-N -1 3 319.376 2.975 20 0 DFADHM Fc1ccc2cc(C[N-]c3nnc([C@H]4CCCO4)o3)[nH]c2c1 ZINC000578272260 430119995 /nfs/dbraw/zinc/11/99/95/430119995.db2.gz XAKMEWURWJYBSH-CYBMUJFWSA-N -1 3 302.309 3.154 20 0 DFADHM Cc1ccc(-n2cnnc2)c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000562438601 430133060 /nfs/dbraw/zinc/13/30/60/430133060.db2.gz NWLCHIMRGNGXTB-UHFFFAOYSA-N -1 3 312.304 2.673 20 0 DFADHM COC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000580610257 430137472 /nfs/dbraw/zinc/13/74/72/430137472.db2.gz CLGRWOYFXKLZQV-WDEREUQCSA-N -1 3 311.765 2.964 20 0 DFADHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000580631640 430140459 /nfs/dbraw/zinc/14/04/59/430140459.db2.gz SDZZHCWXWZWCNS-VXGBXAGGSA-N -1 3 311.451 2.637 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H]3C[C@H]3C3CC3)c[n-]c12 ZINC000580698637 430146052 /nfs/dbraw/zinc/14/60/52/430146052.db2.gz JTXRAFOZRVBCKQ-AAEUAGOBSA-N -1 3 314.360 2.752 20 0 DFADHM Cc1cc(CS(=O)(=O)[N-]Cc2cc(C3CC3)ccc2F)on1 ZINC000562551902 430146844 /nfs/dbraw/zinc/14/68/44/430146844.db2.gz KUJFRQBTWHHFFY-UHFFFAOYSA-N -1 3 324.377 2.619 20 0 DFADHM Cc1nocc1[N-]C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC000640487555 430184289 /nfs/dbraw/zinc/18/42/89/430184289.db2.gz OGUUCJYGMUTXDB-UHFFFAOYSA-N -1 3 301.224 2.571 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000122503311 277079835 /nfs/dbraw/zinc/07/98/35/277079835.db2.gz RTTBXOAPYGHKHJ-UEKVPHQBSA-N -1 3 304.390 2.905 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)cc1[O-] ZINC000408470978 277107721 /nfs/dbraw/zinc/10/77/21/277107721.db2.gz XJIGKYQNQDNKRO-GOSISDBHSA-N -1 3 317.385 2.628 20 0 DFADHM O=C(NCCc1nc2ccccc2s1)c1cccc2nn[n-]c21 ZINC000541891729 430195140 /nfs/dbraw/zinc/19/51/40/430195140.db2.gz JTNGERHNGDQSKN-UHFFFAOYSA-N -1 3 323.381 2.540 20 0 DFADHM O=C(NCCc1nc2ccccc2s1)c1cccc2[n-]nnc21 ZINC000541891729 430195144 /nfs/dbraw/zinc/19/51/44/430195144.db2.gz JTNGERHNGDQSKN-UHFFFAOYSA-N -1 3 323.381 2.540 20 0 DFADHM O=C(NCCc1nc2ccccc2s1)c1cccc2n[n-]nc21 ZINC000541891729 430195149 /nfs/dbraw/zinc/19/51/49/430195149.db2.gz JTNGERHNGDQSKN-UHFFFAOYSA-N -1 3 323.381 2.540 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)c2cccc3nn[n-]c32)C1(CC)CC ZINC000541891545 430195384 /nfs/dbraw/zinc/19/53/84/430195384.db2.gz BWXPRXXUAHGPOA-KBPBESRZSA-N -1 3 316.405 2.672 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)c2cccc3[n-]nnc32)C1(CC)CC ZINC000541891545 430195387 /nfs/dbraw/zinc/19/53/87/430195387.db2.gz BWXPRXXUAHGPOA-KBPBESRZSA-N -1 3 316.405 2.672 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)C1(CC)CC ZINC000541891545 430195391 /nfs/dbraw/zinc/19/53/91/430195391.db2.gz BWXPRXXUAHGPOA-KBPBESRZSA-N -1 3 316.405 2.672 20 0 DFADHM CCc1nc(=Nc2cccc3c2OCC[C@@H]3N(C)C)s[n-]1 ZINC000565590962 430219390 /nfs/dbraw/zinc/21/93/90/430219390.db2.gz LOMFVHSQOVLNNN-LBPRGKRZSA-N -1 3 304.419 2.651 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)C[C@H](c1ccccc1)C(C)C ZINC000565550953 430220038 /nfs/dbraw/zinc/22/00/38/430220038.db2.gz WESQSUQQSQSDOL-ZDUSSCGKSA-N -1 3 315.373 2.965 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)C[C@H](c1ccccc1)C(C)C ZINC000565550953 430220041 /nfs/dbraw/zinc/22/00/41/430220041.db2.gz WESQSUQQSQSDOL-ZDUSSCGKSA-N -1 3 315.373 2.965 20 0 DFADHM O=C(N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1c[n-]nn1 ZINC000581868559 430245556 /nfs/dbraw/zinc/24/55/56/430245556.db2.gz LPQOILPYCQOLNV-AAEUAGOBSA-N -1 3 304.781 2.914 20 0 DFADHM O=C(N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1cnn[n-]1 ZINC000581868559 430245560 /nfs/dbraw/zinc/24/55/60/430245560.db2.gz LPQOILPYCQOLNV-AAEUAGOBSA-N -1 3 304.781 2.914 20 0 DFADHM O=C(N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1cn[n-]n1 ZINC000581868559 430245563 /nfs/dbraw/zinc/24/55/63/430245563.db2.gz LPQOILPYCQOLNV-AAEUAGOBSA-N -1 3 304.781 2.914 20 0 DFADHM CCCN(CCc1cccc(F)c1)Cc1cc(C(=O)[O-])nn1C ZINC000635302086 430249156 /nfs/dbraw/zinc/24/91/56/430249156.db2.gz GJEKADCBDUATLM-UHFFFAOYSA-N -1 3 319.380 2.712 20 0 DFADHM C[C@@H]1CCCc2ccccc2[C@H]1NCc1cc(C(=O)[O-])nn1C ZINC000635308468 430250498 /nfs/dbraw/zinc/25/04/98/430250498.db2.gz MOIGAHUUDMAEJS-PXAZEXFGSA-N -1 3 313.401 2.922 20 0 DFADHM Cc1ccc(SC[C@@H](C)NCc2cc(C(=O)[O-])nn2C)cc1 ZINC000635309299 430251464 /nfs/dbraw/zinc/25/14/64/430251464.db2.gz 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COc1cccc(C[C@H](C)NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000436550298 297011838 /nfs/dbraw/zinc/01/18/38/297011838.db2.gz SHIXBRNSGCRWOI-LBPRGKRZSA-N -1 3 315.369 2.770 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1[O-] ZINC000436556759 297012075 /nfs/dbraw/zinc/01/20/75/297012075.db2.gz POVBGHYBFBCWEM-SNVBAGLBSA-N -1 3 323.352 2.962 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cccc3c2OCCO3)c1[O-] ZINC000436552661 297012116 /nfs/dbraw/zinc/01/21/16/297012116.db2.gz ANSLFZWENOTBAM-UHFFFAOYSA-N -1 3 315.325 2.733 20 0 DFADHM O=C(NC[C@@H]1CCC[C@H](O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000436560366 297012794 /nfs/dbraw/zinc/01/27/94/297012794.db2.gz DYGIZZSOFBEHPW-DOMZBBRYSA-N -1 3 303.402 2.552 20 0 DFADHM Cn1ccnc1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436570916 297013816 /nfs/dbraw/zinc/01/38/16/297013816.db2.gz STYVWEGWYOGOAO-UHFFFAOYSA-N -1 3 323.352 2.848 20 0 DFADHM CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436577833 297014504 /nfs/dbraw/zinc/01/45/04/297014504.db2.gz VTPKRADHFNPCIQ-LBPRGKRZSA-N -1 3 307.390 2.833 20 0 DFADHM CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436577831 297014533 /nfs/dbraw/zinc/01/45/33/297014533.db2.gz VTPKRADHFNPCIQ-GFCCVEGCSA-N -1 3 307.390 2.833 20 0 DFADHM CCC[C@H](CCO)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436583479 297014726 /nfs/dbraw/zinc/01/47/26/297014726.db2.gz HECFMOSAFJVBHX-CYBMUJFWSA-N -1 3 305.418 2.800 20 0 DFADHM Cc1ccn(C)c(=O)c1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436583219 297014778 /nfs/dbraw/zinc/01/47/78/297014778.db2.gz GWUNMOYSWQSHCK-UHFFFAOYSA-N -1 3 312.369 2.530 20 0 DFADHM CCOC(=O)CN(C(=O)c1ccc(C)cc1[O-])C1CCCC1 ZINC000436580698 297014847 /nfs/dbraw/zinc/01/48/47/297014847.db2.gz CQXWVTANMHOWPY-UHFFFAOYSA-N -1 3 305.374 2.649 20 0 DFADHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1ccc(C)cc1[O-] ZINC000436587589 297015485 /nfs/dbraw/zinc/01/54/85/297015485.db2.gz POEPJYNZNFPTOA-LSDHHAIUSA-N -1 3 318.417 2.562 20 0 DFADHM CC(C)c1ccc(C(=O)N(CCO)Cc2cccnc2)c([O-])c1 ZINC000436593208 297016274 /nfs/dbraw/zinc/01/62/74/297016274.db2.gz CUQUVTVCTBYQET-UHFFFAOYSA-N -1 3 314.385 2.545 20 0 DFADHM CC(=O)c1ccc(C(=O)N(C)Cc2cnc(C)s2)cc1[O-] ZINC000436595279 297016768 /nfs/dbraw/zinc/01/67/68/297016768.db2.gz LOZFYJGGBIYHJX-UHFFFAOYSA-N -1 3 304.371 2.632 20 0 DFADHM COCCN(C(=O)c1cccc(OC)c1[O-])[C@H]1CC[C@@H](C)C1 ZINC000436595424 297016805 /nfs/dbraw/zinc/01/68/05/297016805.db2.gz METLJDRKCNNPQJ-OLZOCXBDSA-N -1 3 307.390 2.678 20 0 DFADHM CCOc1cccc(CCNC(=O)c2cc(OC)ccc2[O-])c1 ZINC000436597797 297016952 /nfs/dbraw/zinc/01/69/52/297016952.db2.gz WWOIGSYCDGGUKX-UHFFFAOYSA-N -1 3 315.369 2.772 20 0 DFADHM C[C@@H](CO)[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436599274 297017227 /nfs/dbraw/zinc/01/72/27/297017227.db2.gz XBJJZMHJEIJKSH-KBPBESRZSA-N -1 3 313.397 2.730 20 0 DFADHM CSc1ccc(F)cc1CNC(=O)c1ccc(O)cc1[O-] ZINC000436616000 297017926 /nfs/dbraw/zinc/01/79/26/297017926.db2.gz CRCOMTAVMJMYQW-UHFFFAOYSA-N -1 3 307.346 2.889 20 0 DFADHM O=C(N[C@@H](CO)C1CCCC1)c1ccc2c(c1[O-])CCCC2 ZINC000436614856 297017949 /nfs/dbraw/zinc/01/79/49/297017949.db2.gz BNSYPTNECQFDIU-INIZCTEOSA-N -1 3 303.402 2.552 20 0 DFADHM O=C(NCCn1cccn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436610786 297018189 /nfs/dbraw/zinc/01/81/89/297018189.db2.gz NMNYZBSLSATXJI-UHFFFAOYSA-N -1 3 321.380 2.610 20 0 DFADHM COCCN(C[C@@H]1CC=CCC1)C(=O)c1ccc(O)cc1[O-] ZINC000436610482 297018230 /nfs/dbraw/zinc/01/82/30/297018230.db2.gz YHMORJMSROTPPF-CYBMUJFWSA-N -1 3 305.374 2.543 20 0 DFADHM CCN1C[C@@H](C)N(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@H]1C ZINC000436615482 297018273 /nfs/dbraw/zinc/01/82/73/297018273.db2.gz DYDODRDCUUMAGR-ZIAGYGMSSA-N -1 3 316.445 2.826 20 0 DFADHM CCOC(=O)CC(C)(C)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436617595 297018703 /nfs/dbraw/zinc/01/87/03/297018703.db2.gz KXMYIGNHXCEHBT-UHFFFAOYSA-N -1 3 307.390 2.813 20 0 DFADHM CCO[C@@H](C)c1nccn1Cc1noc(-c2ccccc2[O-])n1 ZINC000436634551 297019472 /nfs/dbraw/zinc/01/94/72/297019472.db2.gz PNOGGEIRDCTALJ-NSHDSACASA-N -1 3 314.345 2.785 20 0 DFADHM CO[C@H]1CCC[C@H]1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436631536 297019839 /nfs/dbraw/zinc/01/98/39/297019839.db2.gz SQLSSOHOCKYSEZ-JSGCOSHPSA-N -1 3 319.401 2.651 20 0 DFADHM COc1cccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436638695 297020093 /nfs/dbraw/zinc/02/00/93/297020093.db2.gz GRMBCXVUMJKGSP-UHFFFAOYSA-N -1 3 303.314 2.670 20 0 DFADHM CCC[C@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)OC(C)(C)C ZINC000436641730 297020250 /nfs/dbraw/zinc/02/02/50/297020250.db2.gz XCZVCKJYBGZAKS-ZDUSSCGKSA-N -1 3 323.389 2.641 20 0 DFADHM CCOc1ccc2c(c1)CCN(C(=O)c1c([O-])cccc1O)C2 ZINC000436647692 297020999 /nfs/dbraw/zinc/02/09/99/297020999.db2.gz NCKOCVCJWCDBDD-UHFFFAOYSA-N -1 3 313.353 2.695 20 0 DFADHM CC1=CCN(CCNC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436647106 297021078 /nfs/dbraw/zinc/02/10/78/297021078.db2.gz KGSNCFXWQIFTFL-UHFFFAOYSA-N -1 3 310.397 2.927 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2O)C12CCCCC2 ZINC000436647986 297021102 /nfs/dbraw/zinc/02/11/02/297021102.db2.gz OHTHFKMFRFPWOJ-HUUCEWRRSA-N -1 3 319.401 2.956 20 0 DFADHM CCCCO[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2O)C1(C)C ZINC000436649140 297021643 /nfs/dbraw/zinc/02/16/43/297021643.db2.gz SUTRYQAOAJTDGL-KGLIPLIRSA-N -1 3 307.390 2.811 20 0 DFADHM C[C@@H]1COCC[C@@H]1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436656746 297022049 /nfs/dbraw/zinc/02/20/49/297022049.db2.gz GYPNBZFFXVCPKX-DGCLKSJQSA-N -1 3 319.401 2.508 20 0 DFADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436656215 297022202 /nfs/dbraw/zinc/02/22/02/297022202.db2.gz PQPFDGGDTGYJGD-UKRRQHHQSA-N -1 3 307.415 2.999 20 0 DFADHM COc1ccc(C)nc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436658141 297022716 /nfs/dbraw/zinc/02/27/16/297022716.db2.gz XVLQVPVZTUCWQB-UHFFFAOYSA-N -1 3 300.314 2.559 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@@H](C)c2nccs2)cc1[O-] ZINC000436670748 297023365 /nfs/dbraw/zinc/02/33/65/297023365.db2.gz GYNQRXDKXOPBJN-SECBINFHSA-N -1 3 304.371 2.585 20 0 DFADHM CC[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@@H]1CCCO1 ZINC000436672165 297023648 /nfs/dbraw/zinc/02/36/48/297023648.db2.gz DFJYBXRPWABCHI-KGLIPLIRSA-N -1 3 319.401 2.793 20 0 DFADHM CN(C)c1cnc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])cn1 ZINC000436684658 297024933 /nfs/dbraw/zinc/02/49/33/297024933.db2.gz DJVOCTCKCVMQNA-UHFFFAOYSA-N -1 3 314.389 2.798 20 0 DFADHM CC(C)n1cnnc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436704566 297026017 /nfs/dbraw/zinc/02/60/17/297026017.db2.gz KKYAIFWCGPIAAD-UHFFFAOYSA-N -1 3 317.374 2.907 20 0 DFADHM COc1ccc(OCCCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436705990 297026569 /nfs/dbraw/zinc/02/65/69/297026569.db2.gz BOPGIFQSZLFJDJ-UHFFFAOYSA-N -1 3 315.369 2.908 20 0 DFADHM CCCN(CCN(C)C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436750557 297031407 /nfs/dbraw/zinc/03/14/07/297031407.db2.gz GSYNRJAHOGGOGA-UHFFFAOYSA-N -1 3 318.339 2.825 20 0 DFADHM C[C@H]1CCN(C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436749141 297031587 /nfs/dbraw/zinc/03/15/87/297031587.db2.gz AHSYHXVFQPHCHC-JTQLQIEISA-N -1 3 316.323 2.577 20 0 DFADHM C[C@@H](CO)[C@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436721061 297028307 /nfs/dbraw/zinc/02/83/07/297028307.db2.gz LBTWAHCGYLIAKV-STQMWFEESA-N -1 3 315.369 2.931 20 0 DFADHM COc1cc(CNC(=O)c2ccccc2[O-])c2ccccc2n1 ZINC000436722001 297028412 /nfs/dbraw/zinc/02/84/12/297028412.db2.gz ZRJMZNUVUIWBRP-UHFFFAOYSA-N -1 3 308.337 2.879 20 0 DFADHM CC(C)[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCN1C ZINC000436729276 297028809 /nfs/dbraw/zinc/02/88/09/297028809.db2.gz RKIPMANHGAQBKX-KRWDZBQOSA-N -1 3 312.413 2.958 20 0 DFADHM COCCN(Cc1scnc1C)C(=O)c1cccc(C)c1[O-] ZINC000436728779 297029055 /nfs/dbraw/zinc/02/90/55/297029055.db2.gz NJJGMOISWFUWIQ-UHFFFAOYSA-N -1 3 320.414 2.754 20 0 DFADHM Cc1cccc(C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)c1[O-] ZINC000436729966 297029369 /nfs/dbraw/zinc/02/93/69/297029369.db2.gz JGSNEQYSPBNYRA-KRWDZBQOSA-N -1 3 324.424 2.700 20 0 DFADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436732278 297029623 /nfs/dbraw/zinc/02/96/23/297029623.db2.gz TXFPHVZRUGDBKR-HOTGVXAUSA-N -1 3 313.353 2.782 20 0 DFADHM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cccc(C)c2[O-])[nH]1 ZINC000436733466 297029685 /nfs/dbraw/zinc/02/96/85/297029685.db2.gz XJXIZWVIBXKMJC-ONGXEEELSA-N -1 3 302.378 2.823 20 0 DFADHM CN(C)C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC000436735728 297029816 /nfs/dbraw/zinc/02/98/16/297029816.db2.gz MYOWGMXSIAPODE-MRXNPFEDSA-N -1 3 320.339 2.703 20 0 DFADHM COc1cc(CN(C)C(=O)c2ccccc2[O-])cc(OC)c1 ZINC000436760053 297032512 /nfs/dbraw/zinc/03/25/12/297032512.db2.gz LCWIYVZBNOYOHV-UHFFFAOYSA-N -1 3 301.342 2.682 20 0 DFADHM [O-]c1ccc(-c2noc(-c3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000436769010 297032871 /nfs/dbraw/zinc/03/28/71/297032871.db2.gz MLJXENMBJDAUBI-UHFFFAOYSA-N -1 3 323.352 2.946 20 0 DFADHM CC(C)SCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436770145 297033330 /nfs/dbraw/zinc/03/33/30/297033330.db2.gz LKLOWNIVRWGCLU-UHFFFAOYSA-N -1 3 309.431 2.977 20 0 DFADHM COC(=O)c1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1C ZINC000436781788 297033869 /nfs/dbraw/zinc/03/38/69/297033869.db2.gz VESJSXZNHLDCQL-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM CC[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCCO1 ZINC000436781088 297033874 /nfs/dbraw/zinc/03/38/74/297033874.db2.gz ICWNOZDIPYJVMQ-CYBMUJFWSA-N -1 3 319.401 2.747 20 0 DFADHM COc1cccc(C(=O)NCc2cc(-c3ccccc3)no2)c1[O-] ZINC000436792405 297034572 /nfs/dbraw/zinc/03/45/72/297034572.db2.gz NWLVXZXFLDEGAG-UHFFFAOYSA-N -1 3 324.336 2.986 20 0 DFADHM CCc1ccc(C(=O)Nc2cccnc2-n2cccn2)c([O-])c1 ZINC000436795839 297034933 /nfs/dbraw/zinc/03/49/33/297034933.db2.gz GIFSYEFMAJSERA-UHFFFAOYSA-N -1 3 308.341 2.788 20 0 DFADHM CCc1ccc(C(=O)NCc2cc(OC)ccc2OC)c([O-])c1 ZINC000436799175 297035395 /nfs/dbraw/zinc/03/53/95/297035395.db2.gz XLDMJDXDVXVCNH-UHFFFAOYSA-N -1 3 315.369 2.902 20 0 DFADHM CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436813501 297036571 /nfs/dbraw/zinc/03/65/71/297036571.db2.gz PBTAZEUYYDPFCI-ZDUSSCGKSA-N -1 3 312.360 2.521 20 0 DFADHM O=C(NCc1cccc(Cn2ccnc2)c1)c1ccccc1[O-] ZINC000436760916 297032232 /nfs/dbraw/zinc/03/22/32/297032232.db2.gz UDHYEJCOEUCKTI-UHFFFAOYSA-N -1 3 307.353 2.567 20 0 DFADHM CCOC(=O)CN(CC(C)C)C(=O)c1ccc(CC)cc1[O-] ZINC000436825689 297037658 /nfs/dbraw/zinc/03/76/58/297037658.db2.gz HIDYYMKYQCNQNT-UHFFFAOYSA-N -1 3 307.390 2.616 20 0 DFADHM COc1ccncc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436834780 297038554 /nfs/dbraw/zinc/03/85/54/297038554.db2.gz AREPYKMOZSZGPS-UHFFFAOYSA-N -1 3 300.358 2.849 20 0 DFADHM COCC[C@@H](Cc1ccco1)NC(=O)c1cc(C)ccc1[O-] ZINC000436833192 297038611 /nfs/dbraw/zinc/03/86/11/297038611.db2.gz JMXGLUXMFOXDML-ZDUSSCGKSA-N -1 3 303.358 2.671 20 0 DFADHM CCc1ccc(C(=O)N[C@H](CC(N)=O)C2CCCCC2)c([O-])c1 ZINC000436831845 297038635 /nfs/dbraw/zinc/03/86/35/297038635.db2.gz HDDSHKKWGIHLEJ-OAHLLOKOSA-N -1 3 318.417 2.509 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)ccc1[O-] ZINC000436902999 297043449 /nfs/dbraw/zinc/04/34/49/297043449.db2.gz SGRARRVIHCJAML-CYBMUJFWSA-N -1 3 322.368 2.772 20 0 DFADHM CN(CC[C@H]1CCCO1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436838211 297039044 /nfs/dbraw/zinc/03/90/44/297039044.db2.gz IQEUSODCUFPWEA-OAHLLOKOSA-N -1 3 303.402 2.912 20 0 DFADHM CCOC(=O)[C@@H](CC)N(C(=O)c1cc(CC)ccc1[O-])C1CC1 ZINC000436841307 297039462 /nfs/dbraw/zinc/03/94/62/297039462.db2.gz YSNNXCSGTNHEHB-OAHLLOKOSA-N -1 3 319.401 2.901 20 0 DFADHM CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000436845404 297039705 /nfs/dbraw/zinc/03/97/05/297039705.db2.gz DKNAHDKFFCVFHU-UHFFFAOYSA-N -1 3 312.325 2.806 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](CO)Cc2ccccc2C)c([O-])c1 ZINC000436849501 297039710 /nfs/dbraw/zinc/03/97/10/297039710.db2.gz STVHRRZWKVUCLY-MRXNPFEDSA-N -1 3 313.397 2.596 20 0 DFADHM C[C@@H]1CCCC[C@H]1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436851473 297040271 /nfs/dbraw/zinc/04/02/71/297040271.db2.gz LMIWSOONSAVWHG-CVEARBPZSA-N -1 3 316.445 2.976 20 0 DFADHM COc1ccc(C(=O)N[C@H]2COc3cccc(Cl)c32)c([O-])c1 ZINC000436857251 297040282 /nfs/dbraw/zinc/04/02/82/297040282.db2.gz VMMZOBPPYIAPPD-LBPRGKRZSA-N -1 3 319.744 2.918 20 0 DFADHM CC(=O)c1ccc(C(=O)NCc2ccc(F)c(C)c2)cc1[O-] ZINC000436860237 297040629 /nfs/dbraw/zinc/04/06/29/297040629.db2.gz NDHNMONUHFLZEC-UHFFFAOYSA-N -1 3 301.317 2.972 20 0 DFADHM Cc1cc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)ccc1[O-] ZINC000436895438 297042684 /nfs/dbraw/zinc/04/26/84/297042684.db2.gz JBHPFSHLKAUCRS-OAHLLOKOSA-N -1 3 324.424 2.877 20 0 DFADHM CCc1ccc(C(=O)NCCOCC(F)(F)C(F)F)c([O-])c1 ZINC000436898592 297043139 /nfs/dbraw/zinc/04/31/39/297043139.db2.gz YYPHKHMDCNXVSD-UHFFFAOYSA-N -1 3 323.286 2.601 20 0 DFADHM C[C@@H](NC(=O)c1cc(F)ccc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000436896226 297043148 /nfs/dbraw/zinc/04/31/48/297043148.db2.gz XTEPYMNMOUKSFN-PXAZEXFGSA-N -1 3 316.376 2.953 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)ccc1[O-] ZINC000436902962 297043391 /nfs/dbraw/zinc/04/33/91/297043391.db2.gz RZDKBSDKRAZZSD-ZDUSSCGKSA-N -1 3 322.368 2.772 20 0 DFADHM O=C(NC[C@@H]1CCCCN1C1CC1)c1cc(Cl)ccc1[O-] ZINC000436912074 297043917 /nfs/dbraw/zinc/04/39/17/297043917.db2.gz VUSXJRHTOQABKY-ZDUSSCGKSA-N -1 3 308.809 2.792 20 0 DFADHM CCOc1ccccc1[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436920488 297044785 /nfs/dbraw/zinc/04/47/85/297044785.db2.gz POTCARIBNHNMRJ-NSHDSACASA-N -1 3 301.342 2.988 20 0 DFADHM O=C(N[C@@H](CO)c1ccsc1)c1ccc2c(c1[O-])CCCC2 ZINC000436920142 297045040 /nfs/dbraw/zinc/04/50/40/297045040.db2.gz QRXXQUGGHSJDFX-HNNXBMFYSA-N -1 3 317.410 2.796 20 0 DFADHM O=C(NCCOCC(F)(F)F)c1ccc2c(c1[O-])CCCC2 ZINC000436950415 297047244 /nfs/dbraw/zinc/04/72/44/297047244.db2.gz VOLDSUYRDYIGME-UHFFFAOYSA-N -1 3 317.307 2.580 20 0 DFADHM CN(C(=O)c1ccccc1[O-])[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000436955691 297047541 /nfs/dbraw/zinc/04/75/41/297047541.db2.gz IEULGEMSXXOKON-MRXNPFEDSA-N -1 3 307.353 2.977 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436967806 297048378 /nfs/dbraw/zinc/04/83/78/297048378.db2.gz ZEXNGMQQEHLXQY-GXTWGEPZSA-N -1 3 320.433 2.761 20 0 DFADHM CC1(C)[C@H](NC(=O)c2ccc3c(c2[O-])CCCC3)[C@H]2CCO[C@H]21 ZINC000436973484 297048799 /nfs/dbraw/zinc/04/87/99/297048799.db2.gz XXDCBKKHNPZHPQ-DJIMGWMZSA-N -1 3 315.413 2.814 20 0 DFADHM O=C(NC[C@@H]1CCCC[C@H]1O)c1ccc2c(c1[O-])CCCC2 ZINC000436970744 297049030 /nfs/dbraw/zinc/04/90/30/297049030.db2.gz MJWLIFQRBYGAEU-XJKSGUPXSA-N -1 3 303.402 2.552 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](C)c2nc(C)no2)c([O-])c1 ZINC000436971539 297049042 /nfs/dbraw/zinc/04/90/42/297049042.db2.gz KJTVNKSDGDJNSQ-SNVBAGLBSA-N -1 3 319.361 2.754 20 0 DFADHM COC1(C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436972507 297049086 /nfs/dbraw/zinc/04/90/86/297049086.db2.gz PCIPWVWEMYPDIF-UHFFFAOYSA-N -1 3 311.381 2.844 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H]2CC[C@@H](OC)C2)c([O-])c1 ZINC000436982572 297049859 /nfs/dbraw/zinc/04/98/59/297049859.db2.gz VCWXSPFCMWRLHW-CHWSQXEVSA-N -1 3 307.390 2.868 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H](O)[C@@H](C)CC)c([O-])c1 ZINC000436984488 297050163 /nfs/dbraw/zinc/05/01/63/297050163.db2.gz FRMGDMMRTIRLKL-LRDDRELGSA-N -1 3 309.406 2.708 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000436989863 297050491 /nfs/dbraw/zinc/05/04/91/297050491.db2.gz SUVQLMULNLKMKD-GJZGRUSLSA-N -1 3 307.390 2.604 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000436988434 297050511 /nfs/dbraw/zinc/05/05/11/297050511.db2.gz PGZFAJVRLMMEMX-QWHCGFSZSA-N -1 3 307.390 2.868 20 0 DFADHM CCN1C[C@@H](C)N(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@H]1C ZINC000436990662 297050710 /nfs/dbraw/zinc/05/07/10/297050710.db2.gz VPLXRGGMKZYTTI-ZIAGYGMSSA-N -1 3 316.445 2.826 20 0 DFADHM CCCCOc1ccc(C(=O)NCCn2cccc2)c([O-])c1 ZINC000436988386 297050764 /nfs/dbraw/zinc/05/07/64/297050764.db2.gz OTPGMIUVQCDCFK-UHFFFAOYSA-N -1 3 302.374 2.803 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@](C)(O)CCC)c([O-])c1 ZINC000436989728 297050786 /nfs/dbraw/zinc/05/07/86/297050786.db2.gz RWUBMZDVLJADDW-KRWDZBQOSA-N -1 3 309.406 2.852 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2cnn(C)c2)c([O-])c1 ZINC000436988824 297050865 /nfs/dbraw/zinc/05/08/65/297050865.db2.gz PKDYEKVBLVJOTQ-LBPRGKRZSA-N -1 3 317.389 2.796 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)c1 ZINC000436993002 297051240 /nfs/dbraw/zinc/05/12/40/297051240.db2.gz ZTLGNKHRTHWWAR-UTUOFQBUSA-N -1 3 304.390 2.857 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)NC(C)(C)C(C)(C)C)c([O-])c1 ZINC000437003619 297052408 /nfs/dbraw/zinc/05/24/08/297052408.db2.gz KQXPSSOCZKSONC-UHFFFAOYSA-N -1 3 320.433 2.761 20 0 DFADHM CCC(CC)[C@@H](CCNC(=O)c1cccc(OC)c1[O-])OC ZINC000437908646 297074147 /nfs/dbraw/zinc/07/41/47/297074147.db2.gz JUGACQCBDNGQSD-CQSZACIVSA-N -1 3 309.406 2.972 20 0 DFADHM COC(=O)Nc1ccc(OC(=O)C=Cc2cncc([O-])c2)cc1 ZINC000494952685 299892110 /nfs/dbraw/zinc/89/21/10/299892110.db2.gz MMOSGGISXWNGIK-UQCOIBPSSA-N -1 3 314.297 2.584 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)c1 ZINC000495189915 299908588 /nfs/dbraw/zinc/90/85/88/299908588.db2.gz HMVXMSUKCKOYDZ-UGSOOPFHSA-N -1 3 313.397 2.677 20 0 DFADHM CC(=O)Nc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000155674319 295322886 /nfs/dbraw/zinc/32/28/86/295322886.db2.gz FBAQDXSPWGKNPK-UHFFFAOYSA-N -1 3 310.353 2.944 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)C1 ZINC000155785242 295325414 /nfs/dbraw/zinc/32/54/14/295325414.db2.gz XFILCBQKZQMPND-WDEREUQCSA-N -1 3 303.449 2.861 20 0 DFADHM COCCn1c(C)c(C)nc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000155929271 295328514 /nfs/dbraw/zinc/32/85/14/295328514.db2.gz OHJCVTOTGIIVIR-GFCCVEGCSA-N -1 3 322.434 2.804 20 0 DFADHM O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc([O-])c(F)c1 ZINC000156297807 295334315 /nfs/dbraw/zinc/33/43/15/295334315.db2.gz XMOMGVRWYYIZST-ZZXKWVIFSA-N -1 3 315.300 2.590 20 0 DFADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc(F)ccc1F ZINC000157269532 295346590 /nfs/dbraw/zinc/34/65/90/295346590.db2.gz QZTPFSVBGCYCBH-UHFFFAOYSA-N -1 3 308.675 2.913 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H]1CCCO1 ZINC000157748791 295352950 /nfs/dbraw/zinc/35/29/50/295352950.db2.gz ZECFTQMHAVZSRE-QWRGUYRKSA-N -1 3 321.801 2.715 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CCCO1 ZINC000157803973 295353688 /nfs/dbraw/zinc/35/36/88/295353688.db2.gz AIBZYEJKFXNBGV-NWDGAFQWSA-N -1 3 321.801 2.715 20 0 DFADHM Cn1cc([C@H](NC(=O)c2cccc([O-])c2)c2ccccc2)cn1 ZINC000363740165 295439526 /nfs/dbraw/zinc/43/95/26/295439526.db2.gz QZPUWRUUSNECLG-QGZVFWFLSA-N -1 3 307.353 2.645 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000370565921 295461068 /nfs/dbraw/zinc/46/10/68/295461068.db2.gz PHYCGDKQQMSVFZ-COLVAYQJSA-N -1 3 320.414 2.762 20 0 DFADHM C[C@H](CCO)CCNCc1cccc([O-])c1Br ZINC000397613390 295488054 /nfs/dbraw/zinc/48/80/54/295488054.db2.gz CYZDHRPBKDLMRB-JTQLQIEISA-N -1 3 302.212 2.653 20 0 DFADHM C[C@@H](CCCCO)NCc1cccc([O-])c1Br ZINC000398463920 295490726 /nfs/dbraw/zinc/49/07/26/295490726.db2.gz ZMHXLTICDCEVNL-JTQLQIEISA-N -1 3 302.212 2.795 20 0 DFADHM CCc1nc(CCNC(=O)c2ccc(C(C)=O)c([O-])c2)cs1 ZINC000411895761 295566934 /nfs/dbraw/zinc/56/69/34/295566934.db2.gz UNEBHQSRGKCURK-UHFFFAOYSA-N -1 3 318.398 2.586 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ncc(C)s2)cc1[O-] ZINC000412183356 295597862 /nfs/dbraw/zinc/59/78/62/295597862.db2.gz TVZZBMMJQWNANS-SECBINFHSA-N -1 3 304.371 2.851 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@@]2(O)CCCC(C)(C)C2)cc1[O-] ZINC000412277633 295607970 /nfs/dbraw/zinc/60/79/70/295607970.db2.gz NBPHOFZLPVWJEE-GOSISDBHSA-N -1 3 319.401 2.656 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1[O-] ZINC000412338092 295613862 /nfs/dbraw/zinc/61/38/62/295613862.db2.gz RRCVTEHXBKANEG-OAHLLOKOSA-N -1 3 313.357 2.685 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCOC[C@H]2CC2CCC2)cc1[O-] ZINC000412371002 295616895 /nfs/dbraw/zinc/61/68/95/295616895.db2.gz RMWAGAHKCOAQSP-OAHLLOKOSA-N -1 3 317.385 2.626 20 0 DFADHM C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CS1 ZINC000412589189 295636433 /nfs/dbraw/zinc/63/64/33/295636433.db2.gz FHPXQGVOLFWYHH-MWLCHTKSSA-N -1 3 307.415 2.730 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCc2ncsc2C1 ZINC000438689755 297102704 /nfs/dbraw/zinc/10/27/04/297102704.db2.gz XHEKQKYBHPAWDR-UHFFFAOYSA-N -1 3 308.790 2.630 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cncs1 ZINC000439190148 297118485 /nfs/dbraw/zinc/11/84/85/297118485.db2.gz IWRXLTOGNJVXQR-ZETCQYMHSA-N -1 3 320.798 2.975 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000440381381 297151071 /nfs/dbraw/zinc/15/10/71/297151071.db2.gz CTEUTMBYIIERMY-VHSXEESVSA-N -1 3 319.748 2.592 20 0 DFADHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1(C)C ZINC000440417395 297152087 /nfs/dbraw/zinc/15/20/87/297152087.db2.gz QPAPOLPJNZEPKX-NEPJUHHUSA-N -1 3 321.801 2.571 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(F)c2)c(F)cc1F ZINC000440421467 297152620 /nfs/dbraw/zinc/15/26/20/297152620.db2.gz ZMZAVOCUNFVONB-UHFFFAOYSA-N -1 3 315.316 2.891 20 0 DFADHM CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000440485630 297154154 /nfs/dbraw/zinc/15/41/54/297154154.db2.gz IRBMEIHDSLSNIM-LBPRGKRZSA-N -1 3 319.401 2.589 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3cc(N)ccc32)o1 ZINC000440843272 297166871 /nfs/dbraw/zinc/16/68/71/297166871.db2.gz GJAASDDJZYVVEC-AWEZNQCLSA-N -1 3 306.387 2.526 20 0 DFADHM Cc1cc(N2CCNC2=O)ccc1NCc1cc([O-])cc(F)c1 ZINC000441364515 297181310 /nfs/dbraw/zinc/18/13/10/297181310.db2.gz ZGEWKYWVXCRKMC-UHFFFAOYSA-N -1 3 315.348 2.981 20 0 DFADHM CCCC[C@H](CCC)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000441533902 297185717 /nfs/dbraw/zinc/18/57/17/297185717.db2.gz IZGUZOFTARXZRU-ZDUSSCGKSA-N -1 3 301.456 2.613 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CCOc3c(F)cccc32)ccc1[O-] ZINC000442652158 297199009 /nfs/dbraw/zinc/19/90/09/297199009.db2.gz MZYPGCKFLLBUIA-CYBMUJFWSA-N -1 3 317.316 2.794 20 0 DFADHM COc1ccc(CNC(=O)c2ccc([O-])c(OC)c2)cc1Cl ZINC000442673273 297200646 /nfs/dbraw/zinc/20/06/46/297200646.db2.gz SXLDJDDDFXIKPE-UHFFFAOYSA-N -1 3 321.760 2.993 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])n(C)n1 ZINC000442801501 297207092 /nfs/dbraw/zinc/20/70/92/297207092.db2.gz OXCMRJFBRLYNCT-UHFFFAOYSA-N -1 3 315.251 2.585 20 0 DFADHM COc1cc(C(=O)N2CCc3c(F)cccc3C2)ccc1[O-] ZINC000442803024 297207443 /nfs/dbraw/zinc/20/74/43/297207443.db2.gz RNSJJSRUXVWMEC-UHFFFAOYSA-N -1 3 301.317 2.738 20 0 DFADHM O=C(C[C@H]1CCCO1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442802293 297207534 /nfs/dbraw/zinc/20/75/34/297207534.db2.gz RVQPRKBCZNGKMX-MRVPVSSYSA-N -1 3 305.252 2.798 20 0 DFADHM CCC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])N(C)C ZINC000443575100 297221564 /nfs/dbraw/zinc/22/15/64/297221564.db2.gz NHCJTHRLDRKRGZ-NSHDSACASA-N -1 3 320.311 2.960 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@H](C)C2)c1 ZINC000444213356 297233011 /nfs/dbraw/zinc/23/30/11/297233011.db2.gz BSXDEKLGTQUUSO-UWVGGRQHSA-N -1 3 303.811 2.816 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N(C)Cc2cc(C)ccc2F)on1 ZINC000444727584 297247480 /nfs/dbraw/zinc/24/74/80/297247480.db2.gz AHXJQJUMCNVWQO-GFCCVEGCSA-N -1 3 305.353 2.890 20 0 DFADHM COC(=O)c1scc(C)c1[N-]C(=O)c1ncncc1Cl ZINC000445947595 297271968 /nfs/dbraw/zinc/27/19/68/297271968.db2.gz VHLKVVKFSJJAGV-UHFFFAOYSA-N -1 3 311.750 2.539 20 0 DFADHM CSc1nnc(NC(=O)CCc2cn(C)c3ccccc23)[n-]1 ZINC000446126958 297276150 /nfs/dbraw/zinc/27/61/50/297276150.db2.gz PMNCWPVHUFOQRA-UHFFFAOYSA-N -1 3 315.402 2.590 20 0 DFADHM CSc1n[n-]c(NC(=O)CCc2cn(C)c3ccccc23)n1 ZINC000446126958 297276151 /nfs/dbraw/zinc/27/61/51/297276151.db2.gz PMNCWPVHUFOQRA-UHFFFAOYSA-N -1 3 315.402 2.590 20 0 DFADHM CSc1nc(NC(=O)CCc2cn(C)c3ccccc23)n[n-]1 ZINC000446126958 297276153 /nfs/dbraw/zinc/27/61/53/297276153.db2.gz PMNCWPVHUFOQRA-UHFFFAOYSA-N -1 3 315.402 2.590 20 0 DFADHM CSc1nnc(NC(=O)CCCc2ccc(F)c(F)c2)[n-]1 ZINC000446122784 297276221 /nfs/dbraw/zinc/27/62/21/297276221.db2.gz OVYSHTNKCDEYLU-UHFFFAOYSA-N -1 3 312.345 2.766 20 0 DFADHM CSc1n[n-]c(NC(=O)CCCc2ccc(F)c(F)c2)n1 ZINC000446122784 297276222 /nfs/dbraw/zinc/27/62/22/297276222.db2.gz OVYSHTNKCDEYLU-UHFFFAOYSA-N -1 3 312.345 2.766 20 0 DFADHM CSc1nc(NC(=O)CCCc2ccc(F)c(F)c2)n[n-]1 ZINC000446122784 297276223 /nfs/dbraw/zinc/27/62/23/297276223.db2.gz OVYSHTNKCDEYLU-UHFFFAOYSA-N -1 3 312.345 2.766 20 0 DFADHM COc1ccc([O-])c(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000447061961 297293940 /nfs/dbraw/zinc/29/39/40/297293940.db2.gz ZITAQALWBSDWND-UHFFFAOYSA-N -1 3 317.389 2.694 20 0 DFADHM COc1nc(NC(=O)CCC[C@H](C)c2cccc(OC)c2)n[n-]1 ZINC000447551850 297308100 /nfs/dbraw/zinc/30/81/00/297308100.db2.gz TZVZHEISNOJZDJ-NSHDSACASA-N -1 3 318.377 2.734 20 0 DFADHM COc1nnc(NC(=O)CCC[C@H](C)c2cccc(OC)c2)[n-]1 ZINC000447551850 297308101 /nfs/dbraw/zinc/30/81/01/297308101.db2.gz TZVZHEISNOJZDJ-NSHDSACASA-N -1 3 318.377 2.734 20 0 DFADHM COc1n[n-]c(NC(=O)CCC[C@H](C)c2cccc(OC)c2)n1 ZINC000447551850 297308102 /nfs/dbraw/zinc/30/81/02/297308102.db2.gz TZVZHEISNOJZDJ-NSHDSACASA-N -1 3 318.377 2.734 20 0 DFADHM O=C(Nc1ccc(Nc2ncccn2)cc1)c1c([O-])cccc1O ZINC000447715193 297314258 /nfs/dbraw/zinc/31/42/58/297314258.db2.gz OWMBKJZNUWJCBA-UHFFFAOYSA-N -1 3 322.324 2.884 20 0 DFADHM CCOC(=O)CC1(NC(=O)c2ccc([O-])c(C)c2)CCCC1 ZINC000447858972 297321481 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/nfs/dbraw/zinc/24/33/66/316243366.db2.gz CWQBIQSFJBZQBY-UHFFFAOYSA-N -1 3 307.390 2.651 20 0 DFADHM c1cc(-c2noc(CCCC3CCOCC3)n2)cc2n[n-]nc12 ZINC000350489008 316392341 /nfs/dbraw/zinc/39/23/41/316392341.db2.gz SFCKGRKAVQVYNB-UHFFFAOYSA-N -1 3 313.361 2.757 20 0 DFADHM CCOCCC1(c2nc(-c3ccc4n[n-]nc4c3)no2)CCC1 ZINC000350492658 316393279 /nfs/dbraw/zinc/39/32/79/316393279.db2.gz ZEESIEDNTAHXLK-UHFFFAOYSA-N -1 3 313.361 2.856 20 0 DFADHM Cc1cncnc1-c1noc(-c2ccc3c(c2[O-])OC(C)(C)C3)n1 ZINC000350567058 316403855 /nfs/dbraw/zinc/40/38/55/316403855.db2.gz LNTVIBQQUBRGCW-UHFFFAOYSA-N -1 3 324.340 2.921 20 0 DFADHM CCOC(=O)C1(Cc2nc(-c3ccc([O-])cc3)no2)CCC1 ZINC000350574262 316406194 /nfs/dbraw/zinc/40/61/94/316406194.db2.gz HGMFAICKFTXOPU-UHFFFAOYSA-N -1 3 302.330 2.718 20 0 DFADHM [O-]c1ccc(-c2noc(-c3ccccc3Cn3cncn3)n2)cc1 ZINC000350581309 316407593 /nfs/dbraw/zinc/40/75/93/316407593.db2.gz PVTFQFNIVPJOKK-UHFFFAOYSA-N -1 3 319.324 2.749 20 0 DFADHM COc1ccccc1Cc1noc(/C=C/c2cncc([O-])c2)n1 ZINC000350637596 316415998 /nfs/dbraw/zinc/41/59/98/316415998.db2.gz PQCFULCNGOVHGN-VOTSOKGWSA-N -1 3 309.325 2.940 20 0 DFADHM [O-]c1cncc(/C=C/c2nc(-c3ccc4nccnc4c3)no2)c1 ZINC000350647434 316416555 /nfs/dbraw/zinc/41/65/55/316416555.db2.gz YRAPDYUTCGIRMZ-DAFODLJHSA-N -1 3 317.308 2.951 20 0 DFADHM CCOc1cccc(CNC[C@]2(CC(=O)[O-])CC[C@H](C)C2)n1 ZINC000426630015 316820971 /nfs/dbraw/zinc/82/09/71/316820971.db2.gz SNOGHVCAYXEBNO-SUMWQHHRSA-N -1 3 306.406 2.851 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2C)s1 ZINC000433825863 316895936 /nfs/dbraw/zinc/89/59/36/316895936.db2.gz JAWRIBFERLJAMA-YMTOWFKASA-N -1 3 322.455 2.972 20 0 DFADHM CO[C@@H](C)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000443396863 316953935 /nfs/dbraw/zinc/95/39/35/316953935.db2.gz BVQQRDHYCYXMCO-LBPRGKRZSA-N -1 3 301.342 2.949 20 0 DFADHM Cc1cccc(CNC(=O)Cc2noc(-c3ccccc3[O-])n2)c1 ZINC000445716658 316992120 /nfs/dbraw/zinc/99/21/20/316992120.db2.gz SZVWRWOWGIFLAY-UHFFFAOYSA-N -1 3 323.352 2.610 20 0 DFADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cc(C(C)C)no1 ZINC000446111853 317004511 /nfs/dbraw/zinc/00/45/11/317004511.db2.gz LTYGOXWHCCKTIN-UHFFFAOYSA-N -1 3 306.293 2.976 20 0 DFADHM Cc1cc(F)ccc1CCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000446526023 317015298 /nfs/dbraw/zinc/01/52/98/317015298.db2.gz DZZABJHMGREZGE-UHFFFAOYSA-N -1 3 324.355 2.948 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@@H](C)CC2CCCCC2)c(=O)[n-]1 ZINC000446723574 317019427 /nfs/dbraw/zinc/01/94/27/317019427.db2.gz TWOKBYKJZZWNIB-NSHDSACASA-N -1 3 305.422 2.817 20 0 DFADHM COC(=O)Cn1ncc([N-]c2nc3cc(C)cc(C)c3o2)c1C ZINC000450495858 317097786 /nfs/dbraw/zinc/09/77/86/317097786.db2.gz XHLRAWRFXGQVSA-UHFFFAOYSA-N -1 3 314.345 2.866 20 0 DFADHM Cc1cccc2c1C[C@@H](C(=O)N1CCCc3cccc([O-])c31)O2 ZINC000450509571 317102846 /nfs/dbraw/zinc/10/28/46/317102846.db2.gz AWOFTFHKAKFOPJ-KRWDZBQOSA-N -1 3 309.365 2.984 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC2(CCC(O)CC2)CC1 ZINC000452259119 317126990 /nfs/dbraw/zinc/12/69/90/317126990.db2.gz MQHBFIAAEQBHCQ-UHFFFAOYSA-N 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317995209 /nfs/dbraw/zinc/99/52/09/317995209.db2.gz RHHBCSJWFBYOEK-HIFRSBDPSA-N -1 3 320.433 2.589 20 0 DFADHM C[C@H]1CCN(Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C(=O)[O-] ZINC000573248041 318015073 /nfs/dbraw/zinc/01/50/73/318015073.db2.gz ZWHINMVLMOKGAT-CABZTGNLSA-N -1 3 302.296 2.643 20 0 DFADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(CSC)cc1)C1CC1 ZINC000574757244 318038554 /nfs/dbraw/zinc/03/85/54/318038554.db2.gz VHJNHGGUNOROLG-CQSZACIVSA-N -1 3 315.460 2.716 20 0 DFADHM CC[C@](C)(C(=O)[O-])N(Cc1nccn1C(F)F)CC1CC1 ZINC000574823415 318042698 /nfs/dbraw/zinc/04/26/98/318042698.db2.gz KTDZZTASMFIDJX-CQSZACIVSA-N -1 3 301.337 2.744 20 0 DFADHM O=C1CCc2c1ccc(OCc1cc(=O)[n-]c(C3CC3)n1)c2F ZINC000575150293 318067179 /nfs/dbraw/zinc/06/71/79/318067179.db2.gz CZLOGYPTBYMYKS-UHFFFAOYSA-N -1 3 314.316 2.907 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1cncc(F)c1 ZINC000575200452 318070271 /nfs/dbraw/zinc/07/02/71/318070271.db2.gz OXMOFEDNVNFWRY-UMSPYCQHSA-N -1 3 324.352 2.584 20 0 DFADHM CC(=O)c1cccc(NC(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)c1[O-] ZINC000575317993 318073004 /nfs/dbraw/zinc/07/30/04/318073004.db2.gz HVDUYIYWNSTEDS-BBATYDOGSA-N -1 3 315.369 2.929 20 0 DFADHM O=C(Cc1cncc([O-])c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000576001615 318098143 /nfs/dbraw/zinc/09/81/43/318098143.db2.gz DBXYCNFINZPLMD-OAHLLOKOSA-N -1 3 302.761 2.957 20 0 DFADHM CCc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000576528750 318132749 /nfs/dbraw/zinc/13/27/49/318132749.db2.gz BCAAOOVGJIEVQL-UHFFFAOYSA-N -1 3 313.357 2.883 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccccc1)C1CC1 ZINC000576606814 318138185 /nfs/dbraw/zinc/13/81/85/318138185.db2.gz SWKUSLDKNQIERG-UHFFFAOYSA-N -1 3 309.369 2.864 20 0 DFADHM CCOc1nc2cc(C(=O)NC3C[C@H](C)O[C@@H](C)C3)ccc2[n-]1 ZINC000576667473 318141629 /nfs/dbraw/zinc/14/16/29/318141629.db2.gz LQUNPCIOANUIAU-QWRGUYRKSA-N -1 3 317.389 2.647 20 0 DFADHM CCOc1nc2ccc(C(=O)NC3C[C@H](C)O[C@@H](C)C3)cc2[n-]1 ZINC000576667473 318141632 /nfs/dbraw/zinc/14/16/32/318141632.db2.gz LQUNPCIOANUIAU-QWRGUYRKSA-N -1 3 317.389 2.647 20 0 DFADHM CCc1c(NC(=O)[N-]c2cnns2)cnn1CCC(C)C ZINC000576685482 318142763 /nfs/dbraw/zinc/14/27/63/318142763.db2.gz AHCGGFVJRKAJLL-UHFFFAOYSA-N -1 3 308.411 2.987 20 0 DFADHM Cc1nc(CC(C)C)c(NC(=O)Cc2cncc([O-])c2)s1 ZINC000576838324 318154502 /nfs/dbraw/zinc/15/45/02/318154502.db2.gz QDVCPCMZCHSVQM-UHFFFAOYSA-N -1 3 305.403 2.932 20 0 DFADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)cc1Cl)C1CC1 ZINC000576872008 318156120 /nfs/dbraw/zinc/15/61/20/318156120.db2.gz BPLBRBUKALTOBQ-LBPRGKRZSA-N -1 3 307.774 2.646 20 0 DFADHM O=C([O-])c1cnccc1N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000576880380 318156581 /nfs/dbraw/zinc/15/65/81/318156581.db2.gz VAFNPFCEFXKVMS-SFHVURJKSA-N -1 3 310.353 2.754 20 0 DFADHM CC[C@@H](CS(=O)(=O)[N-]Cc1cc2cc(C)ccc2o1)OC ZINC000577530759 318200150 /nfs/dbraw/zinc/20/01/50/318200150.db2.gz NYIBMWRFZINDFD-ZDUSSCGKSA-N -1 3 311.403 2.586 20 0 DFADHM O=C([O-])C[C@H]1CSCCN1Cc1cccc(OC(F)F)c1 ZINC000577618445 318205866 /nfs/dbraw/zinc/20/58/66/318205866.db2.gz FJPVCIMSOMPMBZ-NSHDSACASA-N -1 3 317.357 2.680 20 0 DFADHM CC(=O)c1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1C ZINC000577648841 318208097 /nfs/dbraw/zinc/20/80/97/318208097.db2.gz KVSONPOZYISOFO-UHFFFAOYSA-N -1 3 311.341 2.823 20 0 DFADHM O=c1[n-]c([C@H]2CCCCN2CCc2ccc(Cl)cc2)n[nH]1 ZINC000578293419 318250430 /nfs/dbraw/zinc/25/04/30/318250430.db2.gz QGHUAPQEBHYYIC-CYBMUJFWSA-N -1 3 306.797 2.933 20 0 DFADHM CCc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)c([O-])c1 ZINC000578370041 318256417 /nfs/dbraw/zinc/25/64/17/318256417.db2.gz NJMSECOYYKQHQH-INIZCTEOSA-N -1 3 313.401 2.911 20 0 DFADHM Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000578532258 318267830 /nfs/dbraw/zinc/26/78/30/318267830.db2.gz ISZUJDHHCRDYTF-FZMZJTMJSA-N -1 3 307.438 2.798 20 0 DFADHM COC1(C(F)(F)F)CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC000578644849 318275569 /nfs/dbraw/zinc/27/55/69/318275569.db2.gz LTOLZMIMOPQJIT-UHFFFAOYSA-N -1 3 317.307 2.928 20 0 DFADHM CCOC(=O)c1cnc([N-]C(=O)Nc2ccccc2C)n1C ZINC000578848759 318289429 /nfs/dbraw/zinc/28/94/29/318289429.db2.gz ZEIFPCNWUWHNHP-UHFFFAOYSA-N -1 3 302.334 2.549 20 0 DFADHM CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000578856605 318290377 /nfs/dbraw/zinc/29/03/77/318290377.db2.gz BRMTVTVFFHMCDU-OAHLLOKOSA-N -1 3 318.417 2.541 20 0 DFADHM CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000578856604 318290475 /nfs/dbraw/zinc/29/04/75/318290475.db2.gz BRMTVTVFFHMCDU-HNNXBMFYSA-N -1 3 318.417 2.541 20 0 DFADHM CCN(CC)[C@@H](CNc1ncc(C(=O)[O-])cn1)c1ccsc1 ZINC000578896388 318294058 /nfs/dbraw/zinc/29/40/58/318294058.db2.gz XVHJRLHVPYKCSI-ZDUSSCGKSA-N -1 3 320.418 2.731 20 0 DFADHM C[C@@H](C(=O)[O-])N(Cc1cn2cc(Cl)ccc2n1)C1CCC1 ZINC000578908640 318294741 /nfs/dbraw/zinc/29/47/41/318294741.db2.gz FWBORXNITDBRAS-JTQLQIEISA-N -1 3 307.781 2.815 20 0 DFADHM CC(C)(N)CN=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000578908120 318294938 /nfs/dbraw/zinc/29/49/38/318294938.db2.gz FERQHUCEKWYUON-UHFFFAOYSA-N 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C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cccc2n[n-]nc21 ZINC000682168002 545812229 /nfs/dbraw/zinc/81/22/29/545812229.db2.gz VQXMGXUAVLLYDA-BDAKNGLRSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C1CCC1 ZINC000682372428 545831784 /nfs/dbraw/zinc/83/17/84/545831784.db2.gz WVUOQSZODLGPSX-MRVPVSSYSA-N -1 3 308.325 2.567 20 0 DFADHM CCc1ccc(C(=O)Nc2ccccc2-n2cncn2)c([O-])c1 ZINC000682447777 545849806 /nfs/dbraw/zinc/84/98/06/545849806.db2.gz BNPFTICZGSDDAB-UHFFFAOYSA-N -1 3 308.341 2.788 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@H](n3ccnc3C)C2)c([O-])c1 ZINC000682495786 545860959 /nfs/dbraw/zinc/86/09/59/545860959.db2.gz REUQWBGLAMNTCQ-OAHLLOKOSA-N -1 3 313.401 2.937 20 0 DFADHM CCc1ccc(C(=O)Nc2cc(C(N)=O)sc2C)c([O-])c1 ZINC000682510680 545864479 /nfs/dbraw/zinc/86/44/79/545864479.db2.gz BXXVVBBZFCWTII-UHFFFAOYSA-N -1 3 304.371 2.676 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CC[C@@H](CO)CC1 ZINC000682514052 545865430 /nfs/dbraw/zinc/86/54/30/545865430.db2.gz 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/nfs/dbraw/zinc/12/01/36/546120136.db2.gz XDXAWSQAAKQXCI-QMMMGPOBSA-N -1 3 322.162 2.687 20 0 DFADHM CCCn1cc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)nn1 ZINC000684151364 546159296 /nfs/dbraw/zinc/15/92/96/546159296.db2.gz MXVCSLVOOSBHDE-UHFFFAOYSA-N -1 3 303.366 2.760 20 0 DFADHM O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1csc(=O)[n-]1 ZINC000684287237 546188574 /nfs/dbraw/zinc/18/85/74/546188574.db2.gz IOGHHLBDRVOKMN-SFYZADRCSA-N -1 3 308.325 2.947 20 0 DFADHM CCN1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000684466771 546225870 /nfs/dbraw/zinc/22/58/70/546225870.db2.gz OQJSZTZKWPSJME-JTQLQIEISA-N -1 3 316.323 2.577 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)F ZINC000684599323 546250143 /nfs/dbraw/zinc/25/01/43/546250143.db2.gz HBQIFXYIRGMPPD-UHFFFAOYSA-N -1 3 301.717 2.801 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)F)cc1Cl ZINC000684599029 546250277 /nfs/dbraw/zinc/25/02/77/546250277.db2.gz DRFDTPDLBZTJEU-UHFFFAOYSA-N -1 3 313.753 2.671 20 0 DFADHM CC1(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)CCC1 ZINC000684841357 546289465 /nfs/dbraw/zinc/28/94/65/546289465.db2.gz WBTIORYXCCFLMY-UHFFFAOYSA-N -1 3 320.414 2.951 20 0 DFADHM CCc1ccccc1-c1noc(-c2cc(=O)[n-]c(N(C)C)n2)n1 ZINC000685231790 546331297 /nfs/dbraw/zinc/33/12/97/546331297.db2.gz PUEYLFSTBPBGEK-UHFFFAOYSA-N -1 3 311.345 2.528 20 0 DFADHM COc1cccc(C(=O)N2CCCC[C@@H]2c2cncn2C)c1[O-] ZINC000685307818 546340488 /nfs/dbraw/zinc/34/04/88/546340488.db2.gz XOCVTPKXAXBJFT-CYBMUJFWSA-N -1 3 315.373 2.502 20 0 DFADHM COc1cccc(C(=O)N2CCCC[C@H]2c2cncn2C)c1[O-] ZINC000685307819 546341119 /nfs/dbraw/zinc/34/11/19/546341119.db2.gz XOCVTPKXAXBJFT-ZDUSSCGKSA-N -1 3 315.373 2.502 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2cncn2C)c1 ZINC000685306145 546341181 /nfs/dbraw/zinc/34/11/81/546341181.db2.gz DKSVIPRELUUTFG-CQSZACIVSA-N -1 3 315.373 2.502 20 0 DFADHM Cc1cccc2cc(C(=O)[N-]c3nn4cnnc4s3)sc21 ZINC000685419002 546346539 /nfs/dbraw/zinc/34/65/39/546346539.db2.gz ODISUWHIUACUJZ-UHFFFAOYSA-N -1 3 315.383 2.961 20 0 DFADHM CN1CC[C@H](NCc2ncccc2[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000685425697 546347633 /nfs/dbraw/zinc/34/76/33/546347633.db2.gz BOCJILSSYXNKRC-YOEHRIQHSA-N -1 3 317.820 2.976 20 0 DFADHM O=S(=O)(CCc1cccs1)[N-]c1ccc2c[nH]nc2c1 ZINC000685899057 546406935 /nfs/dbraw/zinc/40/69/35/546406935.db2.gz HQWLKBUMZNTBOC-UHFFFAOYSA-N -1 3 307.400 2.609 20 0 DFADHM Cn1cnc(C(=O)[N-]c2ccccc2SCC(F)(F)F)n1 ZINC000685932610 546411384 /nfs/dbraw/zinc/41/13/84/546411384.db2.gz HUAIUTIDJLYWOQ-UHFFFAOYSA-N -1 3 316.308 2.722 20 0 DFADHM COc1ccc(CCOC(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000059589016 560082562 /nfs/dbraw/zinc/08/25/62/560082562.db2.gz KJYOMMGKRDOHEA-UHFFFAOYSA-N -1 3 302.326 2.809 20 0 biogenic,in-vitro DFADHM CO[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)C(F)(F)F ZINC000736964530 598830414 /nfs/dbraw/zinc/83/04/14/598830414.db2.gz YCFSQLONXZRMDV-SECBINFHSA-N -1 3 321.690 2.509 20 0 DFADHM CO[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)C(F)(F)F ZINC000736964530 598830416 /nfs/dbraw/zinc/83/04/16/598830416.db2.gz YCFSQLONXZRMDV-SECBINFHSA-N -1 3 321.690 2.509 20 0 DFADHM CCOc1ccc(N(C)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736645490 598837153 /nfs/dbraw/zinc/83/71/53/598837153.db2.gz YOXPNCNQCVUKJU-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCOc1ccc(N(C)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736645490 598837155 /nfs/dbraw/zinc/83/71/55/598837155.db2.gz YOXPNCNQCVUKJU-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM Fc1cccc(C2(CNc3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000737667334 598856098 /nfs/dbraw/zinc/85/60/98/598856098.db2.gz PJAGOTIZFCXTDP-UHFFFAOYSA-N -1 3 310.336 2.545 20 0 DFADHM Fc1cccc(C2(CNc3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000737667334 598856099 /nfs/dbraw/zinc/85/60/99/598856099.db2.gz PJAGOTIZFCXTDP-UHFFFAOYSA-N -1 3 310.336 2.545 20 0 DFADHM Cc1noc(C)c1[C@@H](C)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737539625 598870475 /nfs/dbraw/zinc/87/04/75/598870475.db2.gz SXFAQDZUXFCXMH-ZCFIWIBFSA-N -1 3 320.303 2.923 20 0 DFADHM Cc1noc(C)c1[C@@H](C)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737539625 598870476 /nfs/dbraw/zinc/87/04/76/598870476.db2.gz SXFAQDZUXFCXMH-ZCFIWIBFSA-N -1 3 320.303 2.923 20 0 DFADHM CCc1ccccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736695239 598913981 /nfs/dbraw/zinc/91/39/81/598913981.db2.gz IUFIRNDGDUROLO-UHFFFAOYSA-N -1 3 322.372 2.751 20 0 DFADHM CCc1ccccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736695239 598913983 /nfs/dbraw/zinc/91/39/83/598913983.db2.gz IUFIRNDGDUROLO-UHFFFAOYSA-N -1 3 322.372 2.751 20 0 DFADHM CC(=O)c1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000735498155 598933991 /nfs/dbraw/zinc/93/39/91/598933991.db2.gz GDNREKRLCKKYKB-UHFFFAOYSA-N -1 3 315.720 2.910 20 0 DFADHM CC(=O)c1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000735498155 598933993 /nfs/dbraw/zinc/93/39/93/598933993.db2.gz GDNREKRLCKKYKB-UHFFFAOYSA-N -1 3 315.720 2.910 20 0 DFADHM C[C@@H](c1ccccn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736204965 598939973 /nfs/dbraw/zinc/93/99/73/598939973.db2.gz UWGONXABGCZRGP-VIFPVBQESA-N -1 3 315.768 2.508 20 0 DFADHM C[C@@H](c1ccccn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736204965 598939975 /nfs/dbraw/zinc/93/99/75/598939975.db2.gz UWGONXABGCZRGP-VIFPVBQESA-N -1 3 315.768 2.508 20 0 DFADHM Fc1ccc2c(c1)N(c1ncc(-c3nnn[n-]3)cc1Cl)CC2 ZINC000737667524 598940597 /nfs/dbraw/zinc/94/05/97/598940597.db2.gz RFBDELBFVZVNDF-UHFFFAOYSA-N -1 3 316.727 2.748 20 0 DFADHM Fc1ccc2c(c1)N(c1ncc(-c3nn[n-]n3)cc1Cl)CC2 ZINC000737667524 598940598 /nfs/dbraw/zinc/94/05/98/598940598.db2.gz RFBDELBFVZVNDF-UHFFFAOYSA-N -1 3 316.727 2.748 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H]1C1CCC1 ZINC000737565695 598941992 /nfs/dbraw/zinc/94/19/92/598941992.db2.gz WEMNHPYTMCOMNU-GFCCVEGCSA-N -1 3 304.785 2.684 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H]1C1CCC1 ZINC000737565695 598941994 /nfs/dbraw/zinc/94/19/94/598941994.db2.gz WEMNHPYTMCOMNU-GFCCVEGCSA-N -1 3 304.785 2.684 20 0 DFADHM CC(C)OCCCN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735896451 598971487 /nfs/dbraw/zinc/97/14/87/598971487.db2.gz PZCFLXOXGUVGDT-UHFFFAOYSA-N -1 3 309.801 2.771 20 0 DFADHM CC(C)OCCCN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735896451 598971489 /nfs/dbraw/zinc/97/14/89/598971489.db2.gz PZCFLXOXGUVGDT-UHFFFAOYSA-N -1 3 309.801 2.771 20 0 DFADHM CC[C@H](Cc1ccccc1)N(C)c1ncccc1-c1nnn[n-]1 ZINC000736349268 599320677 /nfs/dbraw/zinc/32/06/77/599320677.db2.gz DXUOGFNVTVAQLH-CQSZACIVSA-N -1 3 308.389 2.719 20 0 DFADHM CC[C@H](Cc1ccccc1)N(C)c1ncccc1-c1nn[n-]n1 ZINC000736349268 599320679 /nfs/dbraw/zinc/32/06/79/599320679.db2.gz DXUOGFNVTVAQLH-CQSZACIVSA-N -1 3 308.389 2.719 20 0 DFADHM CCCCc1nc(CNc2cccc(-c3nnn[n-]3)c2C)no1 ZINC000821077526 607256864 /nfs/dbraw/zinc/25/68/64/607256864.db2.gz JWJRJMDVWFROPT-UHFFFAOYSA-N -1 3 313.365 2.513 20 0 DFADHM CCCCc1nc(CNc2cccc(-c3nn[n-]n3)c2C)no1 ZINC000821077526 607256865 /nfs/dbraw/zinc/25/68/65/607256865.db2.gz JWJRJMDVWFROPT-UHFFFAOYSA-N -1 3 313.365 2.513 20 0 DFADHM C[C@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736095904 599014945 /nfs/dbraw/zinc/01/49/45/599014945.db2.gz KCURUKKVESIAHU-MNOVXSKESA-N -1 3 301.394 2.726 20 0 DFADHM C[C@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736095904 599014947 /nfs/dbraw/zinc/01/49/47/599014947.db2.gz KCURUKKVESIAHU-MNOVXSKESA-N -1 3 301.394 2.726 20 0 DFADHM Cc1cccc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000737390026 599019003 /nfs/dbraw/zinc/01/90/03/599019003.db2.gz RFQYZIUEPSFPDX-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cccc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000737390026 599019004 /nfs/dbraw/zinc/01/90/04/599019004.db2.gz RFQYZIUEPSFPDX-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)Cc1cccs1 ZINC000820274069 599040239 /nfs/dbraw/zinc/04/02/39/599040239.db2.gz CXAZUXAXSMEKHH-JTQLQIEISA-N -1 3 300.391 2.614 20 0 DFADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)Cc1cccs1 ZINC000820274069 599040242 /nfs/dbraw/zinc/04/02/42/599040242.db2.gz CXAZUXAXSMEKHH-JTQLQIEISA-N -1 3 300.391 2.614 20 0 DFADHM Cc1cccc([C@@H](C)CNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737389385 599040502 /nfs/dbraw/zinc/04/05/02/599040502.db2.gz OJLGNQYXJXOCCD-ZDUSSCGKSA-N -1 3 321.384 2.709 20 0 DFADHM Cc1cccc([C@@H](C)CNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737389385 599040505 /nfs/dbraw/zinc/04/05/05/599040505.db2.gz OJLGNQYXJXOCCD-ZDUSSCGKSA-N -1 3 321.384 2.709 20 0 DFADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)Cc1cccs1 ZINC000820281234 599041554 /nfs/dbraw/zinc/04/15/54/599041554.db2.gz UHDSWNZSZRNAMY-SNVBAGLBSA-N -1 3 300.391 2.614 20 0 DFADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)Cc1cccs1 ZINC000820281234 599041556 /nfs/dbraw/zinc/04/15/56/599041556.db2.gz UHDSWNZSZRNAMY-SNVBAGLBSA-N -1 3 300.391 2.614 20 0 DFADHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821854421 599043889 /nfs/dbraw/zinc/04/38/89/599043889.db2.gz JHZRFBJTLZTTFP-HNNXBMFYSA-N -1 3 323.356 2.811 20 0 DFADHM C[C@@H](CCc1cccn1C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000820254475 599054481 /nfs/dbraw/zinc/05/44/81/599054481.db2.gz PXADKQYFCYSJTC-NSHDSACASA-N -1 3 314.368 2.778 20 0 DFADHM C[C@@H](CCc1cccn1C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000820254475 599054484 /nfs/dbraw/zinc/05/44/84/599054484.db2.gz PXADKQYFCYSJTC-NSHDSACASA-N -1 3 314.368 2.778 20 0 DFADHM CC[C@@H](C)CN(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736322935 599056371 /nfs/dbraw/zinc/05/63/71/599056371.db2.gz RPCRQXHZICKVGO-MRVPVSSYSA-N -1 3 314.315 2.763 20 0 DFADHM CC[C@@H](C)CN(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736322935 599056374 /nfs/dbraw/zinc/05/63/74/599056374.db2.gz RPCRQXHZICKVGO-MRVPVSSYSA-N -1 3 314.315 2.763 20 0 DFADHM CC[C@@H](C)C[C@@H](C)Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000820870565 599067499 /nfs/dbraw/zinc/06/74/99/599067499.db2.gz VHWFKILTBKKTOB-GHMZBOCLSA-N -1 3 300.410 2.987 20 0 DFADHM CC[C@@H](C)C[C@@H](C)Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000820870565 599067502 /nfs/dbraw/zinc/06/75/02/599067502.db2.gz VHWFKILTBKKTOB-GHMZBOCLSA-N -1 3 300.410 2.987 20 0 DFADHM Cc1c(NCc2cccc3nsnc32)cccc1-c1nnn[n-]1 ZINC000822123060 607258102 /nfs/dbraw/zinc/25/81/02/607258102.db2.gz TYUJJCQJHAOFPQ-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM Cc1c(NCc2cccc3nsnc32)cccc1-c1nn[n-]n1 ZINC000822123060 607258103 /nfs/dbraw/zinc/25/81/03/607258103.db2.gz TYUJJCQJHAOFPQ-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM CN(CCc1cccs1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821607193 599087461 /nfs/dbraw/zinc/08/74/61/599087461.db2.gz CNEHLGZLDYIPIM-UHFFFAOYSA-N -1 3 321.356 2.885 20 0 DFADHM CN(CCc1cccs1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821607193 599087463 /nfs/dbraw/zinc/08/74/63/599087463.db2.gz CNEHLGZLDYIPIM-UHFFFAOYSA-N -1 3 321.356 2.885 20 0 DFADHM CC1(C)CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000820595252 599092825 /nfs/dbraw/zinc/09/28/25/599092825.db2.gz GDBFSRLOFCLRGD-UHFFFAOYSA-N -1 3 312.299 2.517 20 0 DFADHM CC1(C)CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000820595252 599092829 /nfs/dbraw/zinc/09/28/29/599092829.db2.gz GDBFSRLOFCLRGD-UHFFFAOYSA-N -1 3 312.299 2.517 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC2(CCCC2)C1 ZINC000822737529 599093105 /nfs/dbraw/zinc/09/31/05/599093105.db2.gz YYOJUJFEOQNJDJ-UHFFFAOYSA-N -1 3 305.332 2.915 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC2(CCCC2)C1 ZINC000822737529 599093107 /nfs/dbraw/zinc/09/31/07/599093107.db2.gz YYOJUJFEOQNJDJ-UHFFFAOYSA-N -1 3 305.332 2.915 20 0 DFADHM CC[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CCS1 ZINC000820995156 599101586 /nfs/dbraw/zinc/10/15/86/599101586.db2.gz NPNRDRXPVPTQJR-VIFPVBQESA-N -1 3 309.826 2.852 20 0 DFADHM CC[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CCS1 ZINC000820995156 599101588 /nfs/dbraw/zinc/10/15/88/599101588.db2.gz NPNRDRXPVPTQJR-VIFPVBQESA-N -1 3 309.826 2.852 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CSC[C@H]1CCCOC1 ZINC000822743666 607258433 /nfs/dbraw/zinc/25/84/33/607258433.db2.gz CLIAIEFITYSYBS-JTQLQIEISA-N -1 3 308.382 2.666 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CSC[C@H]1CCCOC1 ZINC000822743666 607258434 /nfs/dbraw/zinc/25/84/34/607258434.db2.gz CLIAIEFITYSYBS-JTQLQIEISA-N -1 3 308.382 2.666 20 0 DFADHM Cc1cccc(NC(=O)CNc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822323228 607258543 /nfs/dbraw/zinc/25/85/43/607258543.db2.gz ALSWCSXVJJJXSL-UHFFFAOYSA-N -1 3 322.372 2.534 20 0 DFADHM Cc1cccc(NC(=O)CNc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822323228 607258544 /nfs/dbraw/zinc/25/85/44/607258544.db2.gz ALSWCSXVJJJXSL-UHFFFAOYSA-N -1 3 322.372 2.534 20 0 DFADHM CC(C)c1noc([C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735951953 599123577 /nfs/dbraw/zinc/12/35/77/599123577.db2.gz ALEMKAUJCWASRH-SECBINFHSA-N -1 3 300.322 2.513 20 0 DFADHM CCCC[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)OC ZINC000821043460 599127287 /nfs/dbraw/zinc/12/72/87/599127287.db2.gz QDLLWYXYPSNXSC-GFCCVEGCSA-N -1 3 324.381 2.830 20 0 DFADHM CCCC[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)OC ZINC000821043460 599127290 /nfs/dbraw/zinc/12/72/90/599127290.db2.gz QDLLWYXYPSNXSC-GFCCVEGCSA-N -1 3 324.381 2.830 20 0 DFADHM CC(C)[C@H](C)SCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820021010 599129647 /nfs/dbraw/zinc/12/96/47/599129647.db2.gz OCIHDZJRKGKGMO-JTQLQIEISA-N -1 3 305.407 2.583 20 0 DFADHM CC(C)[C@H](C)SCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820021010 599129649 /nfs/dbraw/zinc/12/96/49/599129649.db2.gz OCIHDZJRKGKGMO-JTQLQIEISA-N -1 3 305.407 2.583 20 0 DFADHM CC(C)[C@@H](C)SCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820021011 599129760 /nfs/dbraw/zinc/12/97/60/599129760.db2.gz OCIHDZJRKGKGMO-SNVBAGLBSA-N -1 3 305.407 2.583 20 0 DFADHM CC(C)[C@@H](C)SCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820021011 599129762 /nfs/dbraw/zinc/12/97/62/599129762.db2.gz OCIHDZJRKGKGMO-SNVBAGLBSA-N -1 3 305.407 2.583 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1CCC1 ZINC000820151886 599143302 /nfs/dbraw/zinc/14/33/02/599143302.db2.gz PZJXVZBWHOXUCP-UHFFFAOYSA-N -1 3 315.377 2.783 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1CCC1 ZINC000820151886 599143304 /nfs/dbraw/zinc/14/33/04/599143304.db2.gz PZJXVZBWHOXUCP-UHFFFAOYSA-N -1 3 315.377 2.783 20 0 DFADHM Cc1ccc(CCNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000737336856 599170248 /nfs/dbraw/zinc/17/02/48/599170248.db2.gz IDPWXJICQCOXMD-UHFFFAOYSA-N -1 3 320.400 2.713 20 0 DFADHM Cc1ccc(CCNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000737336856 599170250 /nfs/dbraw/zinc/17/02/50/599170250.db2.gz IDPWXJICQCOXMD-UHFFFAOYSA-N -1 3 320.400 2.713 20 0 DFADHM Fc1cccc(F)c1[C@H]1C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737659908 599171928 /nfs/dbraw/zinc/17/19/28/599171928.db2.gz FPWRPMNVKKKOQD-CABZTGNLSA-N -1 3 314.299 2.508 20 0 DFADHM Fc1cccc(F)c1[C@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737659908 599171932 /nfs/dbraw/zinc/17/19/32/599171932.db2.gz FPWRPMNVKKKOQD-CABZTGNLSA-N -1 3 314.299 2.508 20 0 DFADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1CCCCCC1 ZINC000823234434 599174263 /nfs/dbraw/zinc/17/42/63/599174263.db2.gz NGJMTAKFTSMEGF-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1CCCCCC1 ZINC000823234434 599174264 /nfs/dbraw/zinc/17/42/64/599174264.db2.gz NGJMTAKFTSMEGF-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000821034012 599194105 /nfs/dbraw/zinc/19/41/05/599194105.db2.gz HOADDVUSUFGUNG-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000821034012 599194106 /nfs/dbraw/zinc/19/41/06/599194106.db2.gz HOADDVUSUFGUNG-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821034636 599195250 /nfs/dbraw/zinc/19/52/50/599195250.db2.gz QDNIZPNQADBALC-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821034636 599195253 /nfs/dbraw/zinc/19/52/53/599195253.db2.gz QDNIZPNQADBALC-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM O=C(NCCCCC1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823188219 599207859 /nfs/dbraw/zinc/20/78/59/599207859.db2.gz VSVXRAQQDWWQON-UHFFFAOYSA-N -1 3 313.405 2.957 20 0 DFADHM O=C(NCCCCC1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823188219 599207862 /nfs/dbraw/zinc/20/78/62/599207862.db2.gz VSVXRAQQDWWQON-UHFFFAOYSA-N -1 3 313.405 2.957 20 0 DFADHM CCO[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1C)C(C)C ZINC000821351850 607266378 /nfs/dbraw/zinc/26/63/78/607266378.db2.gz VOJRUUVSFQGULT-CQSZACIVSA-N -1 3 317.393 2.565 20 0 DFADHM CCO[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1C)C(C)C ZINC000821351850 607266379 /nfs/dbraw/zinc/26/63/79/607266379.db2.gz VOJRUUVSFQGULT-CQSZACIVSA-N -1 3 317.393 2.565 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000820373217 599242789 /nfs/dbraw/zinc/24/27/89/599242789.db2.gz GNZAHMMHOVRPAN-LLVKDONJSA-N -1 3 314.393 2.957 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000820373217 599242791 /nfs/dbraw/zinc/24/27/91/599242791.db2.gz GNZAHMMHOVRPAN-LLVKDONJSA-N -1 3 314.393 2.957 20 0 DFADHM Cc1c(NC(=O)c2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822108921 607268978 /nfs/dbraw/zinc/26/89/78/607268978.db2.gz MCACRLGHHBVXJR-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1c(NC(=O)c2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822108921 607268979 /nfs/dbraw/zinc/26/89/79/607268979.db2.gz MCACRLGHHBVXJR-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM CS[C@@H](C)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826226420 608301242 /nfs/dbraw/zinc/30/12/42/608301242.db2.gz ZAOCPTMKZLLXHB-VIFPVBQESA-N -1 3 305.407 2.645 20 0 DFADHM Cc1c(NC(=O)C=Cc2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822068045 607269631 /nfs/dbraw/zinc/26/96/31/607269631.db2.gz OSWGSJFJMHNQCY-CMDGGOBGSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1c(NC(=O)C=Cc2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822068045 607269632 /nfs/dbraw/zinc/26/96/32/607269632.db2.gz OSWGSJFJMHNQCY-CMDGGOBGSA-N -1 3 323.331 2.966 20 0 DFADHM CCc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821492889 607277568 /nfs/dbraw/zinc/27/75/68/607277568.db2.gz YIPJCRMZSJNLEV-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CCc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821492889 607277569 /nfs/dbraw/zinc/27/75/69/607277569.db2.gz YIPJCRMZSJNLEV-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820859438 607280867 /nfs/dbraw/zinc/28/08/67/607280867.db2.gz DVKCSAJRYHQLGN-MWLCHTKSSA-N -1 3 302.382 2.731 20 0 DFADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820859438 607280868 /nfs/dbraw/zinc/28/08/68/607280868.db2.gz DVKCSAJRYHQLGN-MWLCHTKSSA-N -1 3 302.382 2.731 20 0 DFADHM Cc1c(NC(=O)N2C[C@@H](C)CC2(C)C)cccc1-c1nnn[n-]1 ZINC000822084954 607288131 /nfs/dbraw/zinc/28/81/31/607288131.db2.gz TZGZBEOHMLJGEG-JTQLQIEISA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2C[C@@H](C)CC2(C)C)cccc1-c1nn[n-]n1 ZINC000822084954 607288132 /nfs/dbraw/zinc/28/81/32/607288132.db2.gz TZGZBEOHMLJGEG-JTQLQIEISA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@H]2C2CC2)cccc1-c1nnn[n-]1 ZINC000822084539 607288197 /nfs/dbraw/zinc/28/81/97/607288197.db2.gz MJBDFYIVVDSLJC-AWEZNQCLSA-N -1 3 312.377 2.581 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@H]2C2CC2)cccc1-c1nn[n-]n1 ZINC000822084539 607288198 /nfs/dbraw/zinc/28/81/98/607288198.db2.gz MJBDFYIVVDSLJC-AWEZNQCLSA-N -1 3 312.377 2.581 20 0 DFADHM CCCCCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821056836 607287012 /nfs/dbraw/zinc/28/70/12/607287012.db2.gz YRGFSTIXROXEGK-UHFFFAOYSA-N -1 3 302.382 2.877 20 0 DFADHM CCCCCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821056836 607287013 /nfs/dbraw/zinc/28/70/13/607287013.db2.gz YRGFSTIXROXEGK-UHFFFAOYSA-N -1 3 302.382 2.877 20 0 DFADHM Cc1c(NC(=O)N[C@@H]2CCCC2(C)C)cccc1-c1nnn[n-]1 ZINC000822088883 607290112 /nfs/dbraw/zinc/29/01/12/607290112.db2.gz AXAWVOWGRNMUJN-CYBMUJFWSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@@H]2CCCC2(C)C)cccc1-c1nn[n-]n1 ZINC000822088883 607290113 /nfs/dbraw/zinc/29/01/13/607290113.db2.gz AXAWVOWGRNMUJN-CYBMUJFWSA-N -1 3 314.393 2.875 20 0 DFADHM CCCC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821034723 607292997 /nfs/dbraw/zinc/29/29/97/607292997.db2.gz SALRHGUYCTVZPZ-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM CCCC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821034723 607292998 /nfs/dbraw/zinc/29/29/98/607292998.db2.gz SALRHGUYCTVZPZ-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM CSCCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821962873 607294934 /nfs/dbraw/zinc/29/49/34/607294934.db2.gz YAZFNOSSGLOJGS-UHFFFAOYSA-N -1 3 305.407 2.647 20 0 DFADHM CSCCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821962873 607294935 /nfs/dbraw/zinc/29/49/35/607294935.db2.gz YAZFNOSSGLOJGS-UHFFFAOYSA-N -1 3 305.407 2.647 20 0 DFADHM Cc1c(NC(=O)C[C@H](C)n2cccc2)cccc1-c1nnn[n-]1 ZINC000822068796 607296632 /nfs/dbraw/zinc/29/66/32/607296632.db2.gz UVGZLPVUCIVTMN-NSHDSACASA-N -1 3 310.361 2.566 20 0 DFADHM Cc1c(NC(=O)C[C@H](C)n2cccc2)cccc1-c1nn[n-]n1 ZINC000822068796 607296633 /nfs/dbraw/zinc/29/66/33/607296633.db2.gz UVGZLPVUCIVTMN-NSHDSACASA-N -1 3 310.361 2.566 20 0 DFADHM CO[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000821672727 607297377 /nfs/dbraw/zinc/29/73/77/607297377.db2.gz VMPBJUKYGNEEMX-HNNXBMFYSA-N -1 3 323.356 2.501 20 0 DFADHM CO[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000821672727 607297378 /nfs/dbraw/zinc/29/73/78/607297378.db2.gz VMPBJUKYGNEEMX-HNNXBMFYSA-N -1 3 323.356 2.501 20 0 DFADHM c1cn(-c2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)cn1 ZINC000823808529 607309527 /nfs/dbraw/zinc/30/95/27/607309527.db2.gz BKDCBIVEEBERTE-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM c1cn(-c2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2)cn1 ZINC000823808529 607309528 /nfs/dbraw/zinc/30/95/28/607309528.db2.gz BKDCBIVEEBERTE-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM COc1cc(C)ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821712136 607313023 /nfs/dbraw/zinc/31/30/23/607313023.db2.gz DFBWONDFWFYUTJ-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM CN1CCCc2cc(NCc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000821625704 607314338 /nfs/dbraw/zinc/31/43/38/607314338.db2.gz UJQBRXNXSSMNID-UHFFFAOYSA-N -1 3 320.400 2.861 20 0 DFADHM CN1CCCc2cc(NCc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000821625704 607314339 /nfs/dbraw/zinc/31/43/39/607314339.db2.gz UJQBRXNXSSMNID-UHFFFAOYSA-N -1 3 320.400 2.861 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(CC)ncn1 ZINC000821110026 607305300 /nfs/dbraw/zinc/30/53/00/607305300.db2.gz VWPSHLIWDDBMHV-UHFFFAOYSA-N -1 3 323.404 2.636 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(CC)ncn1 ZINC000821110026 607305301 /nfs/dbraw/zinc/30/53/01/607305301.db2.gz VWPSHLIWDDBMHV-UHFFFAOYSA-N -1 3 323.404 2.636 20 0 DFADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCC3CCC3)c2c1 ZINC000737248439 599272267 /nfs/dbraw/zinc/27/22/67/599272267.db2.gz DUUVOENOZXXSGB-UHFFFAOYSA-N -1 3 308.389 2.666 20 0 DFADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCC3CCC3)c2c1 ZINC000737248439 599272269 /nfs/dbraw/zinc/27/22/69/599272269.db2.gz DUUVOENOZXXSGB-UHFFFAOYSA-N -1 3 308.389 2.666 20 0 DFADHM Fc1ccc(COc2cccnc2Cl)c(-c2nn[n-]n2)c1 ZINC000737649423 599306686 /nfs/dbraw/zinc/30/66/86/599306686.db2.gz NZSHFRZNPXKDFZ-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM C[C@@H]1CN(CCCCC(=O)[O-])CCN1c1nc2ccccc2o1 ZINC000737761648 597776019 /nfs/dbraw/zinc/77/60/19/597776019.db2.gz CCKAYEZAKORBBC-CYBMUJFWSA-N -1 3 317.389 2.593 20 0 DFADHM O=C([O-])C1CCC(NCc2nc(C(F)(F)F)cs2)CC1 ZINC000821504237 598107481 /nfs/dbraw/zinc/10/74/81/598107481.db2.gz IGNNTMZBKQXLMK-UHFFFAOYSA-N -1 3 308.325 2.895 20 0 DFADHM CCCOc1cccc(CCNc2ncccc2-c2nnn[n-]2)c1 ZINC000821139153 607330925 /nfs/dbraw/zinc/33/09/25/607330925.db2.gz QFCJIUWMDLHWNA-UHFFFAOYSA-N -1 3 324.388 2.705 20 0 DFADHM CCCOc1cccc(CCNc2ncccc2-c2nn[n-]n2)c1 ZINC000821139153 607330926 /nfs/dbraw/zinc/33/09/26/607330926.db2.gz QFCJIUWMDLHWNA-UHFFFAOYSA-N -1 3 324.388 2.705 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCc3ccc(F)cc3C2)n1 ZINC000822193256 607332012 /nfs/dbraw/zinc/33/20/12/607332012.db2.gz PTCWTIAVJYWLJT-UHFFFAOYSA-N -1 3 324.363 2.580 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCc3ccc(F)cc3C2)n1 ZINC000822193256 607332013 /nfs/dbraw/zinc/33/20/13/607332013.db2.gz PTCWTIAVJYWLJT-UHFFFAOYSA-N -1 3 324.363 2.580 20 0 DFADHM O=C([O-])C[C@H]1CCCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000821515359 598182889 /nfs/dbraw/zinc/18/28/89/598182889.db2.gz GAMTZAMDFLFHTJ-LLVKDONJSA-N -1 3 319.430 2.960 20 0 DFADHM CC[C@H](C)[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[O-] ZINC000820465557 598187901 /nfs/dbraw/zinc/18/79/01/598187901.db2.gz KZCZHGQTGUNHHY-SDBXPKJASA-N -1 3 323.780 2.578 20 0 DFADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820147767 598191951 /nfs/dbraw/zinc/19/19/51/598191951.db2.gz DGKWTMHETHVXIE-JTQLQIEISA-N -1 3 311.341 2.818 20 0 DFADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736326652 598240897 /nfs/dbraw/zinc/24/08/97/598240897.db2.gz CBGALRVLHMKEPJ-VXGBXAGGSA-N -1 3 313.405 2.906 20 0 DFADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736326652 598240899 /nfs/dbraw/zinc/24/08/99/598240899.db2.gz CBGALRVLHMKEPJ-VXGBXAGGSA-N -1 3 313.405 2.906 20 0 DFADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736326650 598240963 /nfs/dbraw/zinc/24/09/63/598240963.db2.gz CBGALRVLHMKEPJ-NWDGAFQWSA-N -1 3 313.405 2.906 20 0 DFADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736326650 598240964 /nfs/dbraw/zinc/24/09/64/598240964.db2.gz CBGALRVLHMKEPJ-NWDGAFQWSA-N -1 3 313.405 2.906 20 0 DFADHM Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737410587 598241535 /nfs/dbraw/zinc/24/15/35/598241535.db2.gz VLVLSXYQWOEVGU-MRXNPFEDSA-N -1 3 319.368 2.592 20 0 DFADHM Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737410587 598241537 /nfs/dbraw/zinc/24/15/37/598241537.db2.gz VLVLSXYQWOEVGU-MRXNPFEDSA-N -1 3 319.368 2.592 20 0 DFADHM C[C@H](COc1ccccc1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000736041176 598242061 /nfs/dbraw/zinc/24/20/61/598242061.db2.gz UCJMYQAMUHHXDM-LLVKDONJSA-N -1 3 313.336 2.885 20 0 DFADHM C[C@H](COc1ccccc1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000736041176 598242063 /nfs/dbraw/zinc/24/20/63/598242063.db2.gz UCJMYQAMUHHXDM-LLVKDONJSA-N -1 3 313.336 2.885 20 0 DFADHM CCCCCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736450386 598276427 /nfs/dbraw/zinc/27/64/27/598276427.db2.gz AYQVGTWWEYHZOP-UHFFFAOYSA-N -1 3 319.413 2.735 20 0 DFADHM CCCCCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736450386 598276429 /nfs/dbraw/zinc/27/64/29/598276429.db2.gz AYQVGTWWEYHZOP-UHFFFAOYSA-N -1 3 319.413 2.735 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cnc(C2CC2)s1 ZINC000738210532 598278076 /nfs/dbraw/zinc/27/80/76/598278076.db2.gz QQOJSSIHCYTXSE-UHFFFAOYSA-N -1 3 318.387 2.514 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cnc(C2CC2)s1 ZINC000738210532 598278078 /nfs/dbraw/zinc/27/80/78/598278078.db2.gz QQOJSSIHCYTXSE-UHFFFAOYSA-N -1 3 318.387 2.514 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CSC[C@@H]1CCCCO1 ZINC000737647782 598314183 /nfs/dbraw/zinc/31/41/83/598314183.db2.gz DZOFDPWZWWTXEA-LBPRGKRZSA-N -1 3 308.382 2.808 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CSC[C@@H]1CCCCO1 ZINC000737647782 598314186 /nfs/dbraw/zinc/31/41/86/598314186.db2.gz DZOFDPWZWWTXEA-LBPRGKRZSA-N -1 3 308.382 2.808 20 0 DFADHM CC(C)c1nc(C(=O)Nc2sccc2-c2nnn[n-]2)cs1 ZINC000735940003 598325142 /nfs/dbraw/zinc/32/51/42/598325142.db2.gz ODUGHLBDPULLBZ-UHFFFAOYSA-N -1 3 320.403 2.760 20 0 DFADHM CC(C)c1nc(C(=O)Nc2sccc2-c2nn[n-]n2)cs1 ZINC000735940003 598325143 /nfs/dbraw/zinc/32/51/43/598325143.db2.gz ODUGHLBDPULLBZ-UHFFFAOYSA-N -1 3 320.403 2.760 20 0 DFADHM Cc1cc(F)ccc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822205677 607352458 /nfs/dbraw/zinc/35/24/58/607352458.db2.gz DQJILBFZYCRILS-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(F)ccc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822205677 607352460 /nfs/dbraw/zinc/35/24/60/607352460.db2.gz DQJILBFZYCRILS-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM COc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737133118 598386817 /nfs/dbraw/zinc/38/68/17/598386817.db2.gz XPQNXUYHBLWYSG-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737133118 598386818 /nfs/dbraw/zinc/38/68/18/598386818.db2.gz XPQNXUYHBLWYSG-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM Fc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737651332 598387034 /nfs/dbraw/zinc/38/70/34/598387034.db2.gz VWBZEPCBMPGNEU-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737651332 598387036 /nfs/dbraw/zinc/38/70/36/598387036.db2.gz VWBZEPCBMPGNEU-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737371288 598399215 /nfs/dbraw/zinc/39/92/15/598399215.db2.gz AZAAPMNROHTDEI-INIZCTEOSA-N -1 3 319.368 2.592 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737371288 598399217 /nfs/dbraw/zinc/39/92/17/598399217.db2.gz AZAAPMNROHTDEI-INIZCTEOSA-N -1 3 319.368 2.592 20 0 DFADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737105814 598423933 /nfs/dbraw/zinc/42/39/33/598423933.db2.gz JRKGEYCHMKPGJH-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737105814 598423935 /nfs/dbraw/zinc/42/39/35/598423935.db2.gz JRKGEYCHMKPGJH-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Cc1noc(C)c1CCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737539128 598426156 /nfs/dbraw/zinc/42/61/56/598426156.db2.gz ZZDMEFVKHKRDOV-UHFFFAOYSA-N -1 3 318.768 2.780 20 0 DFADHM Cc1noc(C)c1CCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737539128 598426157 /nfs/dbraw/zinc/42/61/57/598426157.db2.gz ZZDMEFVKHKRDOV-UHFFFAOYSA-N -1 3 318.768 2.780 20 0 DFADHM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737194504 598428886 /nfs/dbraw/zinc/42/88/86/598428886.db2.gz MMGZTOSSMYATSW-NSHDSACASA-N -1 3 308.345 2.749 20 0 DFADHM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737194504 598428887 /nfs/dbraw/zinc/42/88/87/598428887.db2.gz MMGZTOSSMYATSW-NSHDSACASA-N -1 3 308.345 2.749 20 0 DFADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737194901 598429288 /nfs/dbraw/zinc/42/92/88/598429288.db2.gz UMXUGFHRZMOSHQ-NSHDSACASA-N -1 3 308.345 2.749 20 0 DFADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737194901 598429289 /nfs/dbraw/zinc/42/92/89/598429289.db2.gz UMXUGFHRZMOSHQ-NSHDSACASA-N -1 3 308.345 2.749 20 0 DFADHM CC[C@@H](C)c1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736328486 598436465 /nfs/dbraw/zinc/43/64/65/598436465.db2.gz PEWLNTFYBOFVQR-LLVKDONJSA-N -1 3 323.356 2.994 20 0 DFADHM CC[C@@H](C)c1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736328486 598436467 /nfs/dbraw/zinc/43/64/67/598436467.db2.gz PEWLNTFYBOFVQR-LLVKDONJSA-N -1 3 323.356 2.994 20 0 DFADHM CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736431292 598439275 /nfs/dbraw/zinc/43/92/75/598439275.db2.gz GKJAIAMUFCBNDK-CQSZACIVSA-N -1 3 322.372 2.533 20 0 DFADHM CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736431292 598439276 /nfs/dbraw/zinc/43/92/76/598439276.db2.gz GKJAIAMUFCBNDK-CQSZACIVSA-N -1 3 322.372 2.533 20 0 DFADHM CC(C)C[C@H](C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735760677 598494003 /nfs/dbraw/zinc/49/40/03/598494003.db2.gz GNNJJDVAAYYGTD-LBPRGKRZSA-N -1 3 301.394 2.555 20 0 DFADHM C[C@@H](C1CC1)n1nccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735963698 598466679 /nfs/dbraw/zinc/46/66/79/598466679.db2.gz JZPDXVRNODSYJS-NSHDSACASA-N -1 3 309.377 2.646 20 0 DFADHM C[C@@H](C1CC1)n1nccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735963698 598466681 /nfs/dbraw/zinc/46/66/81/598466681.db2.gz JZPDXVRNODSYJS-NSHDSACASA-N -1 3 309.377 2.646 20 0 DFADHM Fc1cccc(CNCc2ccc(-c3nnn[n-]3)cc2F)c1F ZINC000737638415 598472714 /nfs/dbraw/zinc/47/27/14/598472714.db2.gz GVEGDYFQMQDUPO-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM Fc1cccc(CNCc2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000737638415 598472715 /nfs/dbraw/zinc/47/27/15/598472715.db2.gz GVEGDYFQMQDUPO-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM COc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737071598 598490841 /nfs/dbraw/zinc/49/08/41/598490841.db2.gz JLQHRALKUAYVOB-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM COc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737071598 598490842 /nfs/dbraw/zinc/49/08/42/598490842.db2.gz JLQHRALKUAYVOB-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM Cc1ccccc1C[S@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737428083 598491348 /nfs/dbraw/zinc/49/13/48/598491348.db2.gz JRQLXYVDWKFGNE-JOCHJYFZSA-N -1 3 312.398 2.624 20 0 DFADHM Cc1ccccc1C[S@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737428083 598491351 /nfs/dbraw/zinc/49/13/51/598491351.db2.gz JRQLXYVDWKFGNE-JOCHJYFZSA-N -1 3 312.398 2.624 20 0 DFADHM CC(C)C[C@H](C)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735760677 598494002 /nfs/dbraw/zinc/49/40/02/598494002.db2.gz GNNJJDVAAYYGTD-LBPRGKRZSA-N -1 3 301.394 2.555 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(CC)CC ZINC000736481187 598515744 /nfs/dbraw/zinc/51/57/44/598515744.db2.gz VYGNOADAUDDNGA-UHFFFAOYSA-N -1 3 316.409 2.541 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC)CC ZINC000736481187 598515746 /nfs/dbraw/zinc/51/57/46/598515746.db2.gz VYGNOADAUDDNGA-UHFFFAOYSA-N -1 3 316.409 2.541 20 0 DFADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)C1CCCCC1 ZINC000737917490 598547996 /nfs/dbraw/zinc/54/79/96/598547996.db2.gz YMSPLLVZZYMWTA-UHFFFAOYSA-N -1 3 304.325 2.534 20 0 DFADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)C1CCCCC1 ZINC000737917490 598547997 /nfs/dbraw/zinc/54/79/97/598547997.db2.gz YMSPLLVZZYMWTA-UHFFFAOYSA-N -1 3 304.325 2.534 20 0 DFADHM CCS[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000736664398 598583292 /nfs/dbraw/zinc/58/32/92/598583292.db2.gz KBZUDQBHAMWTDL-GFCCVEGCSA-N -1 3 323.397 2.722 20 0 DFADHM CCS[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000736664398 598583294 /nfs/dbraw/zinc/58/32/94/598583294.db2.gz KBZUDQBHAMWTDL-GFCCVEGCSA-N -1 3 323.397 2.722 20 0 DFADHM CC(C)CCSCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735820839 598584589 /nfs/dbraw/zinc/58/45/89/598584589.db2.gz XLRMKRBCOWCWGE-UHFFFAOYSA-N -1 3 323.397 2.724 20 0 DFADHM CC(C)CCSCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735820839 598584591 /nfs/dbraw/zinc/58/45/91/598584591.db2.gz XLRMKRBCOWCWGE-UHFFFAOYSA-N -1 3 323.397 2.724 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1C1CCC1 ZINC000737797455 598597695 /nfs/dbraw/zinc/59/76/95/598597695.db2.gz IRLYEGGUFIICRA-SIFUEBAJSA-N -1 3 323.400 2.671 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1C1CCC1 ZINC000737797455 598597697 /nfs/dbraw/zinc/59/76/97/598597697.db2.gz IRLYEGGUFIICRA-SIFUEBAJSA-N -1 3 323.400 2.671 20 0 DFADHM CC(C)Cc1noc([C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735851521 598610777 /nfs/dbraw/zinc/61/07/77/598610777.db2.gz YJQFJVUWEWYTSE-SNVBAGLBSA-N -1 3 314.349 2.588 20 0 DFADHM Fc1cccc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000737667939 598612836 /nfs/dbraw/zinc/61/28/36/598612836.db2.gz SJDFJMFLBMUMHR-UHFFFAOYSA-N -1 3 308.276 2.723 20 0 DFADHM Fc1cccc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000737667939 598612838 /nfs/dbraw/zinc/61/28/38/598612838.db2.gz SJDFJMFLBMUMHR-UHFFFAOYSA-N -1 3 308.276 2.723 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1C1CCC1 ZINC000738178300 598617654 /nfs/dbraw/zinc/61/76/54/598617654.db2.gz JEKGAJUUHWNHRJ-AWEZNQCLSA-N -1 3 312.377 2.663 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1C1CCC1 ZINC000738178300 598617656 /nfs/dbraw/zinc/61/76/56/598617656.db2.gz JEKGAJUUHWNHRJ-AWEZNQCLSA-N -1 3 312.377 2.663 20 0 DFADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1cscn1 ZINC000736199846 598622931 /nfs/dbraw/zinc/62/29/31/598622931.db2.gz ZJXZTJWCVYVZGU-JTQLQIEISA-N -1 3 300.391 2.516 20 0 DFADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1cscn1 ZINC000736199846 598622933 /nfs/dbraw/zinc/62/29/33/598622933.db2.gz ZJXZTJWCVYVZGU-JTQLQIEISA-N -1 3 300.391 2.516 20 0 DFADHM O=C(NCCC1CCCC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738055294 598624013 /nfs/dbraw/zinc/62/40/13/598624013.db2.gz JXFLGNCKNDNNOR-UHFFFAOYSA-N -1 3 318.356 2.708 20 0 DFADHM O=C(NCCC1CCCC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738055294 598624015 /nfs/dbraw/zinc/62/40/15/598624015.db2.gz JXFLGNCKNDNNOR-UHFFFAOYSA-N -1 3 318.356 2.708 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1NCCCOCC1CC1 ZINC000737573902 598630486 /nfs/dbraw/zinc/63/04/86/598630486.db2.gz GNRYPDMFJDPODA-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1NCCCOCC1CC1 ZINC000737573902 598630487 /nfs/dbraw/zinc/63/04/87/598630487.db2.gz GNRYPDMFJDPODA-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM CCO[C@@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736608056 598635108 /nfs/dbraw/zinc/63/51/08/598635108.db2.gz GXKMPFXSDXHYRF-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CCO[C@@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736608056 598635110 /nfs/dbraw/zinc/63/51/10/598635110.db2.gz GXKMPFXSDXHYRF-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM Fc1ccc(CSC(=S)N2CCCC2)c(-c2nnn[n-]2)c1 ZINC000737647416 598643320 /nfs/dbraw/zinc/64/33/20/598643320.db2.gz DQYVYCJXUTVITK-UHFFFAOYSA-N -1 3 323.422 2.620 20 0 DFADHM Fc1ccc(CSC(=S)N2CCCC2)c(-c2nn[n-]n2)c1 ZINC000737647416 598643322 /nfs/dbraw/zinc/64/33/22/598643322.db2.gz DQYVYCJXUTVITK-UHFFFAOYSA-N -1 3 323.422 2.620 20 0 DFADHM CC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000735498204 598645377 /nfs/dbraw/zinc/64/53/77/598645377.db2.gz GRMDDAYEBVPODI-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000735498204 598645379 /nfs/dbraw/zinc/64/53/79/598645379.db2.gz GRMDDAYEBVPODI-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OC1CCCCC1 ZINC000737948190 598646068 /nfs/dbraw/zinc/64/60/68/598646068.db2.gz QALIELBXGIAZAN-UHFFFAOYSA-N -1 3 318.402 2.835 20 0 DFADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OC1CCCCC1 ZINC000737948190 598646070 /nfs/dbraw/zinc/64/60/70/598646070.db2.gz QALIELBXGIAZAN-UHFFFAOYSA-N -1 3 318.402 2.835 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cc(F)c(F)c(F)c1 ZINC000738251371 598646816 /nfs/dbraw/zinc/64/68/16/598646816.db2.gz NBGOFAUMFWQTTG-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(F)c(F)c1 ZINC000738251371 598646819 /nfs/dbraw/zinc/64/68/19/598646819.db2.gz NBGOFAUMFWQTTG-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM Cc1ncsc1CN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737504079 598674202 /nfs/dbraw/zinc/67/42/02/598674202.db2.gz VDACJSWXULASFQ-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ncsc1CN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737504079 598674203 /nfs/dbraw/zinc/67/42/03/598674203.db2.gz VDACJSWXULASFQ-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM COC(=O)c1ccc(NCc2ccccc2-c2nnn[n-]2)cc1C ZINC000736948748 598677301 /nfs/dbraw/zinc/67/73/01/598677301.db2.gz MRYCPTDQYCRDPR-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM COC(=O)c1ccc(NCc2ccccc2-c2nn[n-]n2)cc1C ZINC000736948748 598677303 /nfs/dbraw/zinc/67/73/03/598677303.db2.gz MRYCPTDQYCRDPR-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM CCc1nc([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736700724 598713937 /nfs/dbraw/zinc/71/39/37/598713937.db2.gz VQJUDODJLAQABM-JTQLQIEISA-N -1 3 314.418 2.736 20 0 DFADHM Cc1nc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cs1 ZINC000737480686 598723249 /nfs/dbraw/zinc/72/32/49/598723249.db2.gz RJMGAWJDLPIFKW-UHFFFAOYSA-N -1 3 323.385 2.543 20 0 DFADHM Cc1nc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cs1 ZINC000737480686 598723250 /nfs/dbraw/zinc/72/32/50/598723250.db2.gz RJMGAWJDLPIFKW-UHFFFAOYSA-N -1 3 323.385 2.543 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736057097 598741203 /nfs/dbraw/zinc/74/12/03/598741203.db2.gz HCEBHVUAIGFIBK-LBPRGKRZSA-N -1 3 307.357 2.684 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736057097 598741204 /nfs/dbraw/zinc/74/12/04/598741204.db2.gz HCEBHVUAIGFIBK-LBPRGKRZSA-N -1 3 307.357 2.684 20 0 DFADHM CSc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000737191293 598764737 /nfs/dbraw/zinc/76/47/37/598764737.db2.gz BZDCSNBOSNHPBG-UHFFFAOYSA-N -1 3 319.321 2.573 20 0 DFADHM CSc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000737191293 598764738 /nfs/dbraw/zinc/76/47/38/598764738.db2.gz BZDCSNBOSNHPBG-UHFFFAOYSA-N -1 3 319.321 2.573 20 0 DFADHM CSc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737192452 598781640 /nfs/dbraw/zinc/78/16/40/598781640.db2.gz JKUUMWIDNXEYSQ-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM CSc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737192452 598781641 /nfs/dbraw/zinc/78/16/41/598781641.db2.gz JKUUMWIDNXEYSQ-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM CCCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C1CC1 ZINC000736467599 598781849 /nfs/dbraw/zinc/78/18/49/598781849.db2.gz HHAZJGKGALLBPB-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM CCCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C1CC1 ZINC000736467599 598781850 /nfs/dbraw/zinc/78/18/50/598781850.db2.gz HHAZJGKGALLBPB-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM CCC[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736419282 598804195 /nfs/dbraw/zinc/80/41/95/598804195.db2.gz KUKLZSUGCDGXGN-SNVBAGLBSA-N -1 3 304.398 2.798 20 0 DFADHM CCC[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736419282 598804196 /nfs/dbraw/zinc/80/41/96/598804196.db2.gz KUKLZSUGCDGXGN-SNVBAGLBSA-N -1 3 304.398 2.798 20 0 DFADHM CC(C)n1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000736138507 598816110 /nfs/dbraw/zinc/81/61/10/598816110.db2.gz NDWXBFONBKXRRO-JTQLQIEISA-N -1 3 315.356 2.956 20 0 DFADHM CC[C@@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736332518 598816923 /nfs/dbraw/zinc/81/69/23/598816923.db2.gz NQZYSSKNAZQIPO-ZDUSSCGKSA-N -1 3 301.394 2.555 20 0 DFADHM CC[C@@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736332518 598816921 /nfs/dbraw/zinc/81/69/21/598816921.db2.gz NQZYSSKNAZQIPO-ZDUSSCGKSA-N -1 3 301.394 2.555 20 0 DFADHM CC[C@@H](CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736335056 598816999 /nfs/dbraw/zinc/81/69/99/598816999.db2.gz XUTJZZHVFDLYRV-AWEZNQCLSA-N -1 3 315.421 2.897 20 0 DFADHM CC[C@@H](CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736335056 598817001 /nfs/dbraw/zinc/81/70/01/598817001.db2.gz XUTJZZHVFDLYRV-AWEZNQCLSA-N -1 3 315.421 2.897 20 0 DFADHM CC(C)c1cnc(CSc2ccc(-c3nnn[n-]3)cn2)o1 ZINC000735931702 598821719 /nfs/dbraw/zinc/82/17/19/598821719.db2.gz CLNLPBLAPORPMO-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CC(C)c1cnc(CSc2ccc(-c3nn[n-]n3)cn2)o1 ZINC000735931702 598821721 /nfs/dbraw/zinc/82/17/21/598821721.db2.gz CLNLPBLAPORPMO-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM Fc1ccc(COc2cccnc2Cl)c(-c2nnn[n-]2)c1 ZINC000737649423 599306683 /nfs/dbraw/zinc/30/66/83/599306683.db2.gz NZSHFRZNPXKDFZ-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Cc1nn(C)c(Cl)c1CSc1ccccc1-c1nnn[n-]1 ZINC000822497244 599345478 /nfs/dbraw/zinc/34/54/78/599345478.db2.gz ZDHAOMIMUFAKFG-UHFFFAOYSA-N -1 3 320.809 2.854 20 0 DFADHM Cc1nn(C)c(Cl)c1CSc1ccccc1-c1nn[n-]n1 ZINC000822497244 599345479 /nfs/dbraw/zinc/34/54/79/599345479.db2.gz ZDHAOMIMUFAKFG-UHFFFAOYSA-N -1 3 320.809 2.854 20 0 DFADHM FC(F)n1ccnc1CSc1ccccc1-c1nnn[n-]1 ZINC000822736781 599347774 /nfs/dbraw/zinc/34/77/74/599347774.db2.gz KEQUCEMMYIKJGJ-UHFFFAOYSA-N -1 3 308.317 2.751 20 0 DFADHM FC(F)n1ccnc1CSc1ccccc1-c1nn[n-]n1 ZINC000822736781 599347777 /nfs/dbraw/zinc/34/77/77/599347777.db2.gz KEQUCEMMYIKJGJ-UHFFFAOYSA-N -1 3 308.317 2.751 20 0 DFADHM CC(C)c1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ncn1 ZINC000820187585 599353869 /nfs/dbraw/zinc/35/38/69/599353869.db2.gz IIDUIXSPXYSAAU-NSHDSACASA-N -1 3 309.377 2.953 20 0 DFADHM CC(C)c1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ncn1 ZINC000820187585 599353872 /nfs/dbraw/zinc/35/38/72/599353872.db2.gz IIDUIXSPXYSAAU-NSHDSACASA-N -1 3 309.377 2.953 20 0 DFADHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@H](c2ccco2)C1 ZINC000820726694 599359240 /nfs/dbraw/zinc/35/92/40/599359240.db2.gz AVPPJYGGXBJZQQ-AAEUAGOBSA-N -1 3 310.361 2.832 20 0 DFADHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@H](c2ccco2)C1 ZINC000820726694 599359245 /nfs/dbraw/zinc/35/92/45/599359245.db2.gz AVPPJYGGXBJZQQ-AAEUAGOBSA-N -1 3 310.361 2.832 20 0 DFADHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H](c2ccco2)C1 ZINC000820726695 599359841 /nfs/dbraw/zinc/35/98/41/599359841.db2.gz AVPPJYGGXBJZQQ-DGCLKSJQSA-N -1 3 310.361 2.832 20 0 DFADHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H](c2ccco2)C1 ZINC000820726695 599359842 /nfs/dbraw/zinc/35/98/42/599359842.db2.gz AVPPJYGGXBJZQQ-DGCLKSJQSA-N -1 3 310.361 2.832 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461595 599364997 /nfs/dbraw/zinc/36/49/97/599364997.db2.gz NMBNLSHPDJZCHA-LLVKDONJSA-N -1 3 307.357 2.975 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461595 599365000 /nfs/dbraw/zinc/36/50/00/599365000.db2.gz NMBNLSHPDJZCHA-LLVKDONJSA-N -1 3 307.357 2.975 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000736244035 599376024 /nfs/dbraw/zinc/37/60/24/599376024.db2.gz DBXTZSCPKOWGOS-SUNKGSAMSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000736244035 599376026 /nfs/dbraw/zinc/37/60/26/599376026.db2.gz DBXTZSCPKOWGOS-SUNKGSAMSA-N -1 3 300.362 2.848 20 0 DFADHM Cc1ccc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)o1 ZINC000737336398 599409986 /nfs/dbraw/zinc/40/99/86/599409986.db2.gz BHFHFZRFIPFFPP-UHFFFAOYSA-N -1 3 320.356 2.971 20 0 DFADHM Cc1ccc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)o1 ZINC000737336398 599409987 /nfs/dbraw/zinc/40/99/87/599409987.db2.gz BHFHFZRFIPFFPP-UHFFFAOYSA-N -1 3 320.356 2.971 20 0 DFADHM CC[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000736405255 599435950 /nfs/dbraw/zinc/43/59/50/599435950.db2.gz FDPUHQJWVDAKKB-ONGXEEELSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736405255 599435954 /nfs/dbraw/zinc/43/59/54/599435954.db2.gz FDPUHQJWVDAKKB-ONGXEEELSA-N -1 3 307.785 2.524 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CC=CCC2)n1 ZINC000737633639 599443319 /nfs/dbraw/zinc/44/33/19/599443319.db2.gz UHFSLHVGCYIXSO-MRVPVSSYSA-N -1 3 310.283 2.801 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CC=CCC2)n1 ZINC000737633639 599443322 /nfs/dbraw/zinc/44/33/22/599443322.db2.gz UHFSLHVGCYIXSO-MRVPVSSYSA-N -1 3 310.283 2.801 20 0 DFADHM CSC[C@@H](C)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737175667 599443399 /nfs/dbraw/zinc/44/33/99/599443399.db2.gz FYYXUPYFSXHXJU-SECBINFHSA-N -1 3 300.391 2.578 20 0 DFADHM CSC[C@@H](C)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737175667 599443403 /nfs/dbraw/zinc/44/34/03/599443403.db2.gz FYYXUPYFSXHXJU-SECBINFHSA-N -1 3 300.391 2.578 20 0 DFADHM CC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)cc1F ZINC000820925343 599444617 /nfs/dbraw/zinc/44/46/17/599444617.db2.gz HQDMGHNLLOTZBF-CYBMUJFWSA-N -1 3 319.315 2.979 20 0 DFADHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(F)cc1F ZINC000820925343 599444618 /nfs/dbraw/zinc/44/46/18/599444618.db2.gz HQDMGHNLLOTZBF-CYBMUJFWSA-N -1 3 319.315 2.979 20 0 DFADHM Fc1ccc(N[C@@H]2CCOc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000822778958 599466549 /nfs/dbraw/zinc/46/65/49/599466549.db2.gz PLMICHPSDHOLFN-CQSZACIVSA-N -1 3 311.320 2.942 20 0 DFADHM Fc1ccc(N[C@@H]2CCOc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000822778958 599466551 /nfs/dbraw/zinc/46/65/51/599466551.db2.gz PLMICHPSDHOLFN-CQSZACIVSA-N -1 3 311.320 2.942 20 0 DFADHM CN(Cc1ccncc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821615760 599469121 /nfs/dbraw/zinc/46/91/21/599469121.db2.gz MDXDLPLWFLWGTB-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1ccncc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821615760 599469123 /nfs/dbraw/zinc/46/91/23/599469123.db2.gz MDXDLPLWFLWGTB-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CO[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821677008 599469318 /nfs/dbraw/zinc/46/93/18/599469318.db2.gz MBGHEKQPLARVLU-OAHLLOKOSA-N -1 3 313.336 2.805 20 0 DFADHM CO[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821677008 599469319 /nfs/dbraw/zinc/46/93/19/599469319.db2.gz MBGHEKQPLARVLU-OAHLLOKOSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1ccccc1CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822352465 599508032 /nfs/dbraw/zinc/50/80/32/599508032.db2.gz ZYJNQJIVTBLFCN-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1ccccc1CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822352465 599508035 /nfs/dbraw/zinc/50/80/35/599508035.db2.gz ZYJNQJIVTBLFCN-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCC[C@@H]1C ZINC000822336086 599529066 /nfs/dbraw/zinc/52/90/66/599529066.db2.gz OAZQETPCZIRZII-IINYFYTJSA-N -1 3 308.389 2.746 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCC[C@@H]1C ZINC000822336086 599529063 /nfs/dbraw/zinc/52/90/63/599529063.db2.gz OAZQETPCZIRZII-IINYFYTJSA-N -1 3 308.389 2.746 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2ncccc2-c2nnn[n-]2)s1 ZINC000737335298 599529318 /nfs/dbraw/zinc/52/93/18/599529318.db2.gz ROKUVHQEWKHFFT-VIFPVBQESA-N -1 3 300.391 2.675 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2ncccc2-c2nn[n-]n2)s1 ZINC000737335298 599529319 /nfs/dbraw/zinc/52/93/19/599529319.db2.gz ROKUVHQEWKHFFT-VIFPVBQESA-N -1 3 300.391 2.675 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822284043 599529688 /nfs/dbraw/zinc/52/96/88/599529688.db2.gz HESPUFTZJBAVJI-LBPRGKRZSA-N -1 3 307.357 2.666 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822284043 599529690 /nfs/dbraw/zinc/52/96/90/599529690.db2.gz HESPUFTZJBAVJI-LBPRGKRZSA-N -1 3 307.357 2.666 20 0 DFADHM C[C@H](NC(=O)CSC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820335400 599531356 /nfs/dbraw/zinc/53/13/56/599531356.db2.gz XXZKIASFXNBRPV-JTQLQIEISA-N -1 3 319.434 2.576 20 0 DFADHM C[C@H](NC(=O)CSC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820335400 599531358 /nfs/dbraw/zinc/53/13/58/599531358.db2.gz XXZKIASFXNBRPV-JTQLQIEISA-N -1 3 319.434 2.576 20 0 DFADHM Cc1noc(C)c1C[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000737539673 599531492 /nfs/dbraw/zinc/53/14/92/599531492.db2.gz UCUKQCWRJHEVRB-QMMMGPOBSA-N -1 3 316.340 2.654 20 0 DFADHM Cc1noc(C)c1C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000737539673 599531494 /nfs/dbraw/zinc/53/14/94/599531494.db2.gz UCUKQCWRJHEVRB-QMMMGPOBSA-N -1 3 316.340 2.654 20 0 DFADHM COc1ccccc1[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737149576 599537277 /nfs/dbraw/zinc/53/72/77/599537277.db2.gz XMEOEQNDAFFNQK-AWEZNQCLSA-N -1 3 321.384 2.869 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC000735571980 599539066 /nfs/dbraw/zinc/53/90/66/599539066.db2.gz NRNNYKMQSYZSLS-VIFPVBQESA-N -1 3 300.343 2.637 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000735571980 599539069 /nfs/dbraw/zinc/53/90/69/599539069.db2.gz NRNNYKMQSYZSLS-VIFPVBQESA-N -1 3 300.343 2.637 20 0 DFADHM C[C@@H](NC(=O)CCC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736101222 599542042 /nfs/dbraw/zinc/54/20/42/599542042.db2.gz MMUIJDXUVMGBBS-LLVKDONJSA-N -1 3 301.394 2.870 20 0 DFADHM C[C@@H](NC(=O)CCC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736101222 599542044 /nfs/dbraw/zinc/54/20/44/599542044.db2.gz MMUIJDXUVMGBBS-LLVKDONJSA-N -1 3 301.394 2.870 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822226088 599543695 /nfs/dbraw/zinc/54/36/95/599543695.db2.gz CDZNOJMLUHOEPC-LBPRGKRZSA-N -1 3 307.357 2.666 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822226088 599543697 /nfs/dbraw/zinc/54/36/97/599543697.db2.gz CDZNOJMLUHOEPC-LBPRGKRZSA-N -1 3 307.357 2.666 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000823308451 599554159 /nfs/dbraw/zinc/55/41/59/599554159.db2.gz AVIQDEJQBAXJFD-SMDDNHRTSA-N -1 3 312.377 2.663 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000823308451 599554160 /nfs/dbraw/zinc/55/41/60/599554160.db2.gz AVIQDEJQBAXJFD-SMDDNHRTSA-N -1 3 312.377 2.663 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccncc1Cl ZINC000821613373 599559339 /nfs/dbraw/zinc/55/93/39/599559339.db2.gz KNXLGNVWARMWFV-UHFFFAOYSA-N -1 3 314.780 2.547 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccncc1Cl ZINC000821613373 599559342 /nfs/dbraw/zinc/55/93/42/599559342.db2.gz KNXLGNVWARMWFV-UHFFFAOYSA-N -1 3 314.780 2.547 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(Cl)n1 ZINC000821609535 599559717 /nfs/dbraw/zinc/55/97/17/599559717.db2.gz AWWYUFONJRCMIC-UHFFFAOYSA-N -1 3 314.780 2.547 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCc1ccccc1 ZINC000826252204 607384695 /nfs/dbraw/zinc/38/46/95/607384695.db2.gz UBPIMYJOBILUTF-UHFFFAOYSA-N -1 3 308.341 2.575 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCc1ccccc1 ZINC000826252204 607384697 /nfs/dbraw/zinc/38/46/97/607384697.db2.gz UBPIMYJOBILUTF-UHFFFAOYSA-N -1 3 308.341 2.575 20 0 DFADHM C[C@H](O)CC(C)(C)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820473391 599583882 /nfs/dbraw/zinc/58/38/82/599583882.db2.gz BMRFBAQZQDGIQN-VIFPVBQESA-N -1 3 309.801 2.729 20 0 DFADHM C[C@H](O)CC(C)(C)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820473391 599583885 /nfs/dbraw/zinc/58/38/85/599583885.db2.gz BMRFBAQZQDGIQN-VIFPVBQESA-N -1 3 309.801 2.729 20 0 DFADHM Cc1cccc(C)c1COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737391313 599605743 /nfs/dbraw/zinc/60/57/43/599605743.db2.gz XNKYGKNXJXLOBQ-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM Cc1cccc(C)c1COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737391313 599605744 /nfs/dbraw/zinc/60/57/44/599605744.db2.gz XNKYGKNXJXLOBQ-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM C[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000735572723 599606660 /nfs/dbraw/zinc/60/66/60/599606660.db2.gz YBIJIYMXSDHDFK-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000735572723 599606662 /nfs/dbraw/zinc/60/66/62/599606662.db2.gz YBIJIYMXSDHDFK-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM Cc1cc(F)cc(C(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000822203091 599620819 /nfs/dbraw/zinc/62/08/19/599620819.db2.gz DJVBWQCESCMIGH-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(F)cc(C(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000822203091 599620820 /nfs/dbraw/zinc/62/08/20/599620820.db2.gz DJVBWQCESCMIGH-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM COc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000821772606 599623144 /nfs/dbraw/zinc/62/31/44/599623144.db2.gz HQEUMONOGDYPKU-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000821772606 599623145 /nfs/dbraw/zinc/62/31/45/599623145.db2.gz HQEUMONOGDYPKU-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM CCC(C)(C)COC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820848146 599627792 /nfs/dbraw/zinc/62/77/92/599627792.db2.gz RNRRJEYGCDPBEI-LLVKDONJSA-N -1 3 318.377 2.613 20 0 DFADHM CCC(C)(C)COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820848354 599627910 /nfs/dbraw/zinc/62/79/10/599627910.db2.gz VQZLJZXSUUGFGQ-UHFFFAOYSA-N -1 3 302.378 2.779 20 0 DFADHM CCC(C)(C)COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820848354 599627911 /nfs/dbraw/zinc/62/79/11/599627911.db2.gz VQZLJZXSUUGFGQ-UHFFFAOYSA-N -1 3 302.378 2.779 20 0 DFADHM O=C(C=CC1CC1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822922198 599629167 /nfs/dbraw/zinc/62/91/67/599629167.db2.gz DDHIIVYVJJOUHP-FPLPWBNLSA-N -1 3 315.402 2.712 20 0 DFADHM O=C(/C=C\C1CC1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822922198 599629168 /nfs/dbraw/zinc/62/91/68/599629168.db2.gz DDHIIVYVJJOUHP-FPLPWBNLSA-N -1 3 315.402 2.712 20 0 DFADHM O=C(CC1CC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822940906 599634054 /nfs/dbraw/zinc/63/40/54/599634054.db2.gz JGBJKEWBMZQFBW-UHFFFAOYSA-N -1 3 311.267 2.624 20 0 DFADHM O=C(CC1CC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822940906 599634055 /nfs/dbraw/zinc/63/40/55/599634055.db2.gz JGBJKEWBMZQFBW-UHFFFAOYSA-N -1 3 311.267 2.624 20 0 DFADHM Cc1cnc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822388975 599637007 /nfs/dbraw/zinc/63/70/07/599637007.db2.gz HTLOIUJXOVPCCG-UHFFFAOYSA-N -1 3 312.377 2.826 20 0 DFADHM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820067486 599646844 /nfs/dbraw/zinc/64/68/44/599646844.db2.gz JJXVORASXYYOCR-LBPRGKRZSA-N -1 3 314.393 2.767 20 0 DFADHM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820067486 599646845 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ZINC000833734998 604661798 /nfs/dbraw/zinc/66/17/98/604661798.db2.gz PTWHFJGOXDHSBN-LBPRGKRZSA-N -1 3 321.398 2.834 20 0 DFADHM C[C@@H](c1ccccc1)N(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC000824770435 607710152 /nfs/dbraw/zinc/71/01/52/607710152.db2.gz KIVIYRBNERZMFY-NSHDSACASA-N -1 3 322.372 2.561 20 0 DFADHM C[C@@H](c1ccccc1)N(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC000824770435 607710154 /nfs/dbraw/zinc/71/01/54/607710154.db2.gz KIVIYRBNERZMFY-NSHDSACASA-N -1 3 322.372 2.561 20 0 DFADHM CC(C)CO[C@@H]1CCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC000833490529 604759256 /nfs/dbraw/zinc/75/92/56/604759256.db2.gz YKVYFVFMXUETOC-WMLDXEAASA-N -1 3 321.417 2.785 20 0 DFADHM COc1ccccc1[C@@H](CN[C@H](C)c1ccoc1)NC(=O)[O-] ZINC000829596865 604759350 /nfs/dbraw/zinc/75/93/50/604759350.db2.gz CEVKCUYLSMOUNA-BXUZGUMPSA-N -1 3 304.346 2.948 20 0 DFADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833432887 604759331 /nfs/dbraw/zinc/75/93/31/604759331.db2.gz RXIFEBGVQZBDRA-LBPRGKRZSA-N -1 3 322.405 2.657 20 0 DFADHM Cc1nc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(C)s1 ZINC000826323439 607713801 /nfs/dbraw/zinc/71/38/01/607713801.db2.gz DPKIIYMGKZLJLD-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM Cc1nc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(C)s1 ZINC000826323439 607713803 /nfs/dbraw/zinc/71/38/03/607713803.db2.gz DPKIIYMGKZLJLD-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM Cc1nc2c(s1)[C@H](N(C)C[C@H]1CC(C(=O)[O-])=C(C)O1)CCC2 ZINC000833576178 604833295 /nfs/dbraw/zinc/83/32/95/604833295.db2.gz HOSPWKXFOIKNNK-BXUZGUMPSA-N -1 3 322.430 2.908 20 0 DFADHM Cc1nc(C(C)(C)NC[C@@H]2CC(C(=O)[O-])=C(C)O2)sc1C ZINC000833576482 604833571 /nfs/dbraw/zinc/83/35/71/604833571.db2.gz BHNBIOLKLFUNOH-NSHDSACASA-N -1 3 310.419 2.732 20 0 DFADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2CC3(CCCC3)CC2=O)C1 ZINC000833420597 604864099 /nfs/dbraw/zinc/86/40/99/604864099.db2.gz VNTYWCZBEOIESL-AWEZNQCLSA-N -1 3 322.449 2.559 20 0 DFADHM O=C([O-])c1csc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000833784876 604949213 /nfs/dbraw/zinc/94/92/13/604949213.db2.gz RCPKKDDVXJESLA-LBPRGKRZSA-N -1 3 308.403 2.792 20 0 DFADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)NCC2CCCCC2)C1 ZINC000833421664 604950395 /nfs/dbraw/zinc/95/03/95/604950395.db2.gz XBSDJBRZANEOCO-HNNXBMFYSA-N -1 3 324.465 2.506 20 0 DFADHM COC[C@H](NCCN(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000828920708 604954783 /nfs/dbraw/zinc/95/47/83/604954783.db2.gz RHIYHNQATAZZEV-LBPRGKRZSA-N -1 3 320.311 2.592 20 0 DFADHM COc1cc(C)cc(CNc2nc(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000826177964 607730238 /nfs/dbraw/zinc/73/02/38/607730238.db2.gz DELHNTSHWMSXHV-UHFFFAOYSA-N -1 3 324.388 2.808 20 0 DFADHM COc1cc(C)cc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)c1 ZINC000826177964 607730240 /nfs/dbraw/zinc/73/02/40/607730240.db2.gz DELHNTSHWMSXHV-UHFFFAOYSA-N -1 3 324.388 2.808 20 0 DFADHM CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1ccc(C)cc1C)C(=O)[O-] ZINC000833639794 605067430 /nfs/dbraw/zinc/06/74/30/605067430.db2.gz QRTSPPBZSMPQDI-DXCKQFNASA-N -1 3 320.433 2.570 20 0 DFADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824391682 607733123 /nfs/dbraw/zinc/73/31/23/607733123.db2.gz JJYZPQLIVWTQAG-GWCFXTLKSA-N -1 3 315.402 2.852 20 0 DFADHM CC(C)C[C@H](NC(=O)CN[C@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC000833481263 605139885 /nfs/dbraw/zinc/13/98/85/605139885.db2.gz LBOUMBXZQYLZPW-RDJZCZTQSA-N -1 3 320.433 2.589 20 0 DFADHM CC1(O)CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833570710 605266662 /nfs/dbraw/zinc/26/66/62/605266662.db2.gz BUSGBKCWMHOMGG-GFCCVEGCSA-N -1 3 317.307 2.678 20 0 DFADHM CCc1cnccc1[C@H](C)NCc1ccc(OCC(=O)[O-])cc1 ZINC000833673317 605308427 /nfs/dbraw/zinc/30/84/27/605308427.db2.gz IIQPBWCHASBZOK-ZDUSSCGKSA-N -1 3 314.385 2.958 20 0 DFADHM O=C([O-])NCC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000834226606 605490300 /nfs/dbraw/zinc/49/03/00/605490300.db2.gz YVDRLDIACJUSBX-UHFFFAOYSA-N -1 3 314.389 2.556 20 0 DFADHM Cc1nccn1[C@H]1CCCN(Cc2ccc(NC(=O)[O-])nc2)C1 ZINC000833919335 605589506 /nfs/dbraw/zinc/58/95/06/605589506.db2.gz WEBZBFXPRFRFMJ-AWEZNQCLSA-N -1 3 315.377 2.514 20 0 DFADHM C[C@H](O)[C@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000833530618 605695477 /nfs/dbraw/zinc/69/54/77/605695477.db2.gz WWDDUKIWYONTFG-MWODSPESSA-N -1 3 318.200 2.822 20 0 DFADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccccc2CO)c2ccccc21 ZINC000834157139 605794897 /nfs/dbraw/zinc/79/48/97/605794897.db2.gz GMDGQDBEBXDYHM-IAGOWNOFSA-N -1 3 312.369 2.722 20 0 DFADHM COC(=O)c1ccoc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821671012 606021444 /nfs/dbraw/zinc/02/14/44/606021444.db2.gz CNWZYHCTGZPNME-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM COC(=O)c1ccoc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821671012 606021445 /nfs/dbraw/zinc/02/14/45/606021445.db2.gz CNWZYHCTGZPNME-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM Cc1c2cc3c(cc2nc(C(C)(C)C)c1-c1nnn[n-]1)OCO3 ZINC000822015989 606024833 /nfs/dbraw/zinc/02/48/33/606024833.db2.gz RTRSKMUPUMPIDE-UHFFFAOYSA-N -1 3 311.345 2.750 20 0 DFADHM Cc1c2cc3c(cc2nc(C(C)(C)C)c1-c1nn[n-]n1)OCO3 ZINC000822015989 606024836 /nfs/dbraw/zinc/02/48/36/606024836.db2.gz RTRSKMUPUMPIDE-UHFFFAOYSA-N -1 3 311.345 2.750 20 0 DFADHM COc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000821778254 606029354 /nfs/dbraw/zinc/02/93/54/606029354.db2.gz XJNPFFMBKCYOJD-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM COc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000821778254 606029360 /nfs/dbraw/zinc/02/93/60/606029360.db2.gz XJNPFFMBKCYOJD-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM Cc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822233184 606035116 /nfs/dbraw/zinc/03/51/16/606035116.db2.gz JPJWNJDMRSAPTC-INIZCTEOSA-N -1 3 306.373 2.912 20 0 DFADHM Cc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822233184 606035121 /nfs/dbraw/zinc/03/51/21/606035121.db2.gz JPJWNJDMRSAPTC-INIZCTEOSA-N -1 3 306.373 2.912 20 0 DFADHM Fc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822766994 606035284 /nfs/dbraw/zinc/03/52/84/606035284.db2.gz SABHMXLBGVBWLW-HNNXBMFYSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822766994 606035288 /nfs/dbraw/zinc/03/52/88/606035288.db2.gz SABHMXLBGVBWLW-HNNXBMFYSA-N -1 3 310.336 2.742 20 0 DFADHM Cc1nc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cs1 ZINC000822444170 606046969 /nfs/dbraw/zinc/04/69/69/606046969.db2.gz FDEZBIKDGWRVGG-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM Cc1nc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cs1 ZINC000822444170 606046972 /nfs/dbraw/zinc/04/69/72/606046972.db2.gz FDEZBIKDGWRVGG-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM O=C([O-])N1CCC[C@H](NCc2ccn(C3CCCC3)n2)CC1 ZINC000834109369 606049010 /nfs/dbraw/zinc/04/90/10/606049010.db2.gz YYOSMMDTYKQWOE-ZDUSSCGKSA-N -1 3 306.410 2.620 20 0 DFADHM CN(Cc1ccoc1)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821615676 606054421 /nfs/dbraw/zinc/05/44/21/606054421.db2.gz IPVVSFRMZVDDAT-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CN(Cc1ccoc1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821615676 606054427 /nfs/dbraw/zinc/05/44/27/606054427.db2.gz IPVVSFRMZVDDAT-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CN(Cc1cscn1)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821616652 606059161 /nfs/dbraw/zinc/05/91/61/606059161.db2.gz ANMRMBLZPWDBSO-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CN(Cc1cscn1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821616652 606059166 /nfs/dbraw/zinc/05/91/66/606059166.db2.gz ANMRMBLZPWDBSO-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM COc1ccc(C(C)(C)CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821773078 606063379 /nfs/dbraw/zinc/06/33/79/606063379.db2.gz ZJNZJYXPGOWBPV-UHFFFAOYSA-N -1 3 324.388 2.660 20 0 DFADHM COc1ccc(C(C)(C)CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821773078 606063383 /nfs/dbraw/zinc/06/33/83/606063383.db2.gz ZJNZJYXPGOWBPV-UHFFFAOYSA-N -1 3 324.388 2.660 20 0 DFADHM Cc1cccnc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822370189 606075602 /nfs/dbraw/zinc/07/56/02/606075602.db2.gz SLQPAXQJKQTUJI-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cccnc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822370189 606075608 /nfs/dbraw/zinc/07/56/08/606075608.db2.gz SLQPAXQJKQTUJI-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM CSCCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821962385 606087807 /nfs/dbraw/zinc/08/78/07/606087807.db2.gz PGRYUCWJDHJQSU-UHFFFAOYSA-N -1 3 300.391 2.580 20 0 DFADHM CSCCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821962385 606087811 /nfs/dbraw/zinc/08/78/11/606087811.db2.gz PGRYUCWJDHJQSU-UHFFFAOYSA-N -1 3 300.391 2.580 20 0 DFADHM CC[C@](C)(NCc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC000820854291 606089405 /nfs/dbraw/zinc/08/94/05/606089405.db2.gz SUJFCGZQSDEMQK-LBPRGKRZSA-N -1 3 317.290 2.826 20 0 DFADHM CC[C@](C)(NCc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000820854291 606089410 /nfs/dbraw/zinc/08/94/10/606089410.db2.gz SUJFCGZQSDEMQK-LBPRGKRZSA-N -1 3 317.290 2.826 20 0 DFADHM COc1ccc([C@@H](C)CCNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821777223 606093320 /nfs/dbraw/zinc/09/33/20/606093320.db2.gz CJECNIITKAISJF-LBPRGKRZSA-N -1 3 324.388 2.876 20 0 DFADHM COc1ccc([C@@H](C)CCNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821777223 606093324 /nfs/dbraw/zinc/09/33/24/606093324.db2.gz CJECNIITKAISJF-LBPRGKRZSA-N -1 3 324.388 2.876 20 0 DFADHM CCO[C@H](CCNc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC000821350969 606098248 /nfs/dbraw/zinc/09/82/48/606098248.db2.gz HXDFVIOAMOALTC-OAHLLOKOSA-N -1 3 316.409 2.659 20 0 DFADHM CCO[C@H](CCNc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC000821350969 606098252 /nfs/dbraw/zinc/09/82/52/606098252.db2.gz HXDFVIOAMOALTC-OAHLLOKOSA-N -1 3 316.409 2.659 20 0 DFADHM C[C@@H]1c2ccccc2CN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820827885 606105170 /nfs/dbraw/zinc/10/51/70/606105170.db2.gz YNLRGHSFDPXVFQ-GFCCVEGCSA-N -1 3 319.368 2.513 20 0 DFADHM C[C@@H]1c2ccccc2CN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820827885 606105172 /nfs/dbraw/zinc/10/51/72/606105172.db2.gz YNLRGHSFDPXVFQ-GFCCVEGCSA-N -1 3 319.368 2.513 20 0 DFADHM CCS[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821454937 606105438 /nfs/dbraw/zinc/10/54/38/606105438.db2.gz HTDUUYDDCWSALK-WCQYABFASA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821454937 606105439 /nfs/dbraw/zinc/10/54/39/606105439.db2.gz HTDUUYDDCWSALK-WCQYABFASA-N -1 3 304.423 2.738 20 0 DFADHM C[C@@H]1c2ccccc2CN1c1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000820827941 606137357 /nfs/dbraw/zinc/13/73/57/606137357.db2.gz ZAMAFXDMWXMLHD-LLVKDONJSA-N -1 3 318.384 2.832 20 0 DFADHM C[C@@H]1c2ccccc2CN1c1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000820827941 606137358 /nfs/dbraw/zinc/13/73/58/606137358.db2.gz ZAMAFXDMWXMLHD-LLVKDONJSA-N -1 3 318.384 2.832 20 0 DFADHM CN(Cc1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)cn1 ZINC000821608416 606140348 /nfs/dbraw/zinc/14/03/48/606140348.db2.gz GEPFGNXCKVCUCV-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CN(Cc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cn1 ZINC000821608416 606140349 /nfs/dbraw/zinc/14/03/49/606140349.db2.gz GEPFGNXCKVCUCV-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CCO[C@H](CCNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC000821351517 606143462 /nfs/dbraw/zinc/14/34/62/606143462.db2.gz RUNXBTMYFKOOAJ-CQSZACIVSA-N -1 3 316.409 2.659 20 0 DFADHM CCO[C@H](CCNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC000821351517 606143464 /nfs/dbraw/zinc/14/34/64/606143464.db2.gz RUNXBTMYFKOOAJ-CQSZACIVSA-N -1 3 316.409 2.659 20 0 DFADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC000820741753 606167434 /nfs/dbraw/zinc/16/74/34/606167434.db2.gz FQLLEQMBTDAQAN-SNVBAGLBSA-N -1 3 316.434 2.684 20 0 DFADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC000820741753 606167436 /nfs/dbraw/zinc/16/74/36/606167436.db2.gz FQLLEQMBTDAQAN-SNVBAGLBSA-N -1 3 316.434 2.684 20 0 DFADHM CCOC(=O)[C@@H](CC)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000821320214 606171385 /nfs/dbraw/zinc/17/13/85/606171385.db2.gz MUOGSALUMJKQBX-GFCCVEGCSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)[C@@H](CC)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000821320214 606171386 /nfs/dbraw/zinc/17/13/86/606171386.db2.gz MUOGSALUMJKQBX-GFCCVEGCSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)[C@H](CC)SCc1cc(-c2nnn[n-]2)ccc1F ZINC000821320641 606171403 /nfs/dbraw/zinc/17/14/03/606171403.db2.gz PPFSLXPYDDGGGX-LBPRGKRZSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)[C@H](CC)SCc1cc(-c2nn[n-]n2)ccc1F ZINC000821320641 606171404 /nfs/dbraw/zinc/17/14/04/606171404.db2.gz PPFSLXPYDDGGGX-LBPRGKRZSA-N -1 3 324.381 2.581 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1cccc2c1OCCO2 ZINC000822135917 606177468 /nfs/dbraw/zinc/17/74/68/606177468.db2.gz GVQKLBORHYPSOD-UHFFFAOYSA-N -1 3 324.340 2.525 20 0 DFADHM FC(F)(F)c1ccnc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822728990 606222131 /nfs/dbraw/zinc/22/21/31/606222131.db2.gz PXRRWKDWALHHFP-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM FC(F)(F)c1ccnc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822728990 606222133 /nfs/dbraw/zinc/22/21/33/606222133.db2.gz PXRRWKDWALHHFP-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000823344644 606269002 /nfs/dbraw/zinc/26/90/02/606269002.db2.gz ZMSQJPCQOCSFGM-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000823344644 606269004 /nfs/dbraw/zinc/26/90/04/606269004.db2.gz ZMSQJPCQOCSFGM-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820072866 606269287 /nfs/dbraw/zinc/26/92/87/606269287.db2.gz MFEBIDXWEQYPRD-WCQYABFASA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820072866 606269288 /nfs/dbraw/zinc/26/92/88/606269288.db2.gz MFEBIDXWEQYPRD-WCQYABFASA-N -1 3 316.409 2.530 20 0 DFADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820875768 606319851 /nfs/dbraw/zinc/31/98/51/606319851.db2.gz FGQNLLHVIQUHSF-LBPRGKRZSA-N -1 3 324.388 2.636 20 0 DFADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820875768 606319853 /nfs/dbraw/zinc/31/98/53/606319853.db2.gz FGQNLLHVIQUHSF-LBPRGKRZSA-N -1 3 324.388 2.636 20 0 DFADHM FC(F)(F)COCCCSc1cccc(-c2nnn[n-]2)c1 ZINC000822718225 606327717 /nfs/dbraw/zinc/32/77/17/606327717.db2.gz CTCNWXKFJIWOLV-UHFFFAOYSA-N -1 3 318.324 2.928 20 0 DFADHM FC(F)(F)COCCCSc1cccc(-c2nn[n-]n2)c1 ZINC000822718225 606327720 /nfs/dbraw/zinc/32/77/20/606327720.db2.gz CTCNWXKFJIWOLV-UHFFFAOYSA-N -1 3 318.324 2.928 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820869927 606333876 /nfs/dbraw/zinc/33/38/76/606333876.db2.gz KDVOLAHMBXMOFE-NSHDSACASA-N -1 3 302.382 2.767 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820869927 606333877 /nfs/dbraw/zinc/33/38/77/606333877.db2.gz KDVOLAHMBXMOFE-NSHDSACASA-N -1 3 302.382 2.767 20 0 DFADHM C[C@@H](OC(=O)CCC(C)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487526 606342435 /nfs/dbraw/zinc/34/24/35/606342435.db2.gz HULHXIIWUSQNPJ-SECBINFHSA-N -1 3 310.304 2.906 20 0 DFADHM C[C@@H](OC(=O)CCC(C)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487526 606342437 /nfs/dbraw/zinc/34/24/37/606342437.db2.gz HULHXIIWUSQNPJ-SECBINFHSA-N -1 3 310.304 2.906 20 0 DFADHM C[C@H](OC(=O)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512059 606349390 /nfs/dbraw/zinc/34/93/90/606349390.db2.gz GDXGADIAHLQQGN-VIFPVBQESA-N -1 3 300.343 2.846 20 0 DFADHM C[C@H](OC(=O)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512059 606349392 /nfs/dbraw/zinc/34/93/92/606349392.db2.gz GDXGADIAHLQQGN-VIFPVBQESA-N -1 3 300.343 2.846 20 0 DFADHM CCCCO[C@@H](C)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821071583 606351749 /nfs/dbraw/zinc/35/17/49/606351749.db2.gz JISPDLYOAULQGL-RYUDHWBXSA-N -1 3 318.377 2.676 20 0 DFADHM CCCCO[C@@H](C)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821071583 606351750 /nfs/dbraw/zinc/35/17/50/606351750.db2.gz JISPDLYOAULQGL-RYUDHWBXSA-N -1 3 318.377 2.676 20 0 DFADHM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820861415 606354001 /nfs/dbraw/zinc/35/40/01/606354001.db2.gz MRTQCYDYLAFRNO-DTWKUNHWSA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820861415 606354002 /nfs/dbraw/zinc/35/40/02/606354002.db2.gz MRTQCYDYLAFRNO-DTWKUNHWSA-N -1 3 306.345 2.562 20 0 DFADHM C[C@H](OC(=O)[C@@H]1Cc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487489 606354198 /nfs/dbraw/zinc/35/41/98/606354198.db2.gz HIGFCSBWVJUVIV-MEDUHNTESA-N -1 3 320.352 2.811 20 0 DFADHM C[C@H](OC(=O)[C@@H]1Cc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487489 606354199 /nfs/dbraw/zinc/35/41/99/606354199.db2.gz HIGFCSBWVJUVIV-MEDUHNTESA-N -1 3 320.352 2.811 20 0 DFADHM Cc1ncsc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822482056 606357234 /nfs/dbraw/zinc/35/72/34/606357234.db2.gz JQJHGQFSUYLNJB-VIFPVBQESA-N -1 3 315.358 2.550 20 0 DFADHM Cc1ncsc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822482056 606357235 /nfs/dbraw/zinc/35/72/35/606357235.db2.gz JQJHGQFSUYLNJB-VIFPVBQESA-N -1 3 315.358 2.550 20 0 DFADHM C[C@@H](OC(=O)CCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486946 606357247 /nfs/dbraw/zinc/35/72/47/606357247.db2.gz DPHRTLBBKINIIU-MRVPVSSYSA-N -1 3 314.267 2.813 20 0 DFADHM C[C@@H](OC(=O)CCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486946 606357249 /nfs/dbraw/zinc/35/72/49/606357249.db2.gz DPHRTLBBKINIIU-MRVPVSSYSA-N -1 3 314.267 2.813 20 0 DFADHM C[C@H](OC(=O)C=Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488391 606357504 /nfs/dbraw/zinc/35/75/04/606357504.db2.gz NLDMEEIKHKTBQW-REPPVQDKSA-N -1 3 321.340 2.579 20 0 DFADHM C[C@H](OC(=O)C=Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488391 606357505 /nfs/dbraw/zinc/35/75/05/606357505.db2.gz NLDMEEIKHKTBQW-REPPVQDKSA-N -1 3 321.340 2.579 20 0 DFADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820650882 606364336 /nfs/dbraw/zinc/36/43/36/606364336.db2.gz YBMYRUAFYLAZPP-FZMZJTMJSA-N -1 3 313.405 2.811 20 0 DFADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820650882 606364338 /nfs/dbraw/zinc/36/43/38/606364338.db2.gz YBMYRUAFYLAZPP-FZMZJTMJSA-N -1 3 313.405 2.811 20 0 DFADHM CCCC[C@H](CCC)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821043165 606365954 /nfs/dbraw/zinc/36/59/54/606365954.db2.gz MIEDVDXLBQIYGS-HNNXBMFYSA-N -1 3 315.421 2.884 20 0 DFADHM CCCC[C@H](CCC)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821043165 606365956 /nfs/dbraw/zinc/36/59/56/606365956.db2.gz MIEDVDXLBQIYGS-HNNXBMFYSA-N -1 3 315.421 2.884 20 0 DFADHM C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(-c3nnn[n-]3)s2)o1 ZINC000820676496 606411040 /nfs/dbraw/zinc/41/10/40/606411040.db2.gz NOIGONLRRBRUNU-BXKDBHETSA-N -1 3 315.402 2.934 20 0 DFADHM C[C@@H]1CCCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820709073 606413269 /nfs/dbraw/zinc/41/32/69/606413269.db2.gz CSJFXZLHVRTORE-MRVPVSSYSA-N -1 3 322.825 2.701 20 0 DFADHM C[C@@H]1CCCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820709073 606413271 /nfs/dbraw/zinc/41/32/71/606413271.db2.gz CSJFXZLHVRTORE-MRVPVSSYSA-N -1 3 322.825 2.701 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1C[C@H](C)[C@@H](C)C1 ZINC000822331624 606418551 /nfs/dbraw/zinc/41/85/51/606418551.db2.gz IOMCZYWFQOYEPI-RYUDHWBXSA-N -1 3 308.389 2.816 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1C[C@H](C)[C@@H](C)C1 ZINC000822331624 606418553 /nfs/dbraw/zinc/41/85/53/606418553.db2.gz IOMCZYWFQOYEPI-RYUDHWBXSA-N -1 3 308.389 2.816 20 0 DFADHM C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@H]1C ZINC000820727156 606423346 /nfs/dbraw/zinc/42/33/46/606423346.db2.gz HWOMPAJIRYBESB-SFYZADRCSA-N -1 3 312.299 2.515 20 0 DFADHM C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@H]1C ZINC000820727156 606423348 /nfs/dbraw/zinc/42/33/48/606423348.db2.gz HWOMPAJIRYBESB-SFYZADRCSA-N -1 3 312.299 2.515 20 0 DFADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000820045593 606426622 /nfs/dbraw/zinc/42/66/22/606426622.db2.gz ODZKWHLUROTGOX-HIFRSBDPSA-N -1 3 301.394 2.730 20 0 DFADHM CC[C@H](CNc1ccc(-c2nnn[n-]2)cn1)Oc1ccccc1C ZINC000820907502 606427745 /nfs/dbraw/zinc/42/77/45/606427745.db2.gz DJYDUJQIMRUXMC-CQSZACIVSA-N -1 3 324.388 2.840 20 0 DFADHM CC[C@H](CNc1ccc(-c2nn[n-]n2)cn1)Oc1ccccc1C ZINC000820907502 606427746 /nfs/dbraw/zinc/42/77/46/606427746.db2.gz DJYDUJQIMRUXMC-CQSZACIVSA-N -1 3 324.388 2.840 20 0 DFADHM CO[C@H](C)c1nc(CNc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821675947 606429419 /nfs/dbraw/zinc/42/94/19/606429419.db2.gz XCJIBOFICDRPFG-SECBINFHSA-N -1 3 316.390 2.643 20 0 DFADHM CO[C@H](C)c1nc(CNc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821675947 606429421 /nfs/dbraw/zinc/42/94/21/606429421.db2.gz XCJIBOFICDRPFG-SECBINFHSA-N -1 3 316.390 2.643 20 0 DFADHM O=Cc1ccc(Oc2ncccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823556915 606431098 /nfs/dbraw/zinc/43/10/98/606431098.db2.gz BMDGAKOXYAANMO-UHFFFAOYSA-N -1 3 301.693 2.520 20 0 DFADHM Cc1nc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)cs1 ZINC000822444447 606457365 /nfs/dbraw/zinc/45/73/65/606457365.db2.gz RORIUWHYLBNIGA-UHFFFAOYSA-N -1 3 308.317 2.522 20 0 DFADHM Cc1nc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)cs1 ZINC000822444447 606457367 /nfs/dbraw/zinc/45/73/67/606457367.db2.gz RORIUWHYLBNIGA-UHFFFAOYSA-N -1 3 308.317 2.522 20 0 DFADHM Fc1ccc(NCc2ccc(Cl)nc2)cc1-c1nnn[n-]1 ZINC000822783083 606458303 /nfs/dbraw/zinc/45/83/03/606458303.db2.gz UMRWEPYVEJRTIH-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(NCc2ccc(Cl)nc2)cc1-c1nn[n-]n1 ZINC000822783083 606458304 /nfs/dbraw/zinc/45/83/04/606458304.db2.gz UMRWEPYVEJRTIH-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(N2CCC[C@H]2c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000822779614 606459283 /nfs/dbraw/zinc/45/92/83/606459283.db2.gz YRQCRRPGXPUUQY-HNNXBMFYSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1ccc(N2CCC[C@H]2c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000822779614 606459284 /nfs/dbraw/zinc/45/92/84/606459284.db2.gz YRQCRRPGXPUUQY-HNNXBMFYSA-N -1 3 310.336 2.742 20 0 DFADHM CCc1cccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821492163 606461672 /nfs/dbraw/zinc/46/16/72/606461672.db2.gz IRIWXUMDLKTFOS-UHFFFAOYSA-N -1 3 300.343 2.710 20 0 DFADHM CCc1cccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821492163 606461673 /nfs/dbraw/zinc/46/16/73/606461673.db2.gz IRIWXUMDLKTFOS-UHFFFAOYSA-N -1 3 300.343 2.710 20 0 DFADHM Cc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1C ZINC000822258867 606461696 /nfs/dbraw/zinc/46/16/96/606461696.db2.gz FVEFXWHOAKXYMD-UHFFFAOYSA-N -1 3 300.343 2.764 20 0 DFADHM Cc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1C ZINC000822258867 606461697 /nfs/dbraw/zinc/46/16/97/606461697.db2.gz FVEFXWHOAKXYMD-UHFFFAOYSA-N -1 3 300.343 2.764 20 0 DFADHM Cc1ccc(COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822238384 606463473 /nfs/dbraw/zinc/46/34/73/606463473.db2.gz FVWOVYQAPGZENW-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1ccc(COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822238384 606463475 /nfs/dbraw/zinc/46/34/75/606463475.db2.gz FVWOVYQAPGZENW-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM CC(C)[C@@H]1OCC[C@@H]1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820044910 606473353 /nfs/dbraw/zinc/47/33/53/606473353.db2.gz ITLZEPZXLVFJLI-YGRLFVJLSA-N -1 3 321.812 2.993 20 0 DFADHM CC(C)[C@@H]1OCC[C@@H]1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820044910 606473354 /nfs/dbraw/zinc/47/33/54/606473354.db2.gz ITLZEPZXLVFJLI-YGRLFVJLSA-N -1 3 321.812 2.993 20 0 DFADHM CSc1cccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821984970 606475531 /nfs/dbraw/zinc/47/55/31/606475531.db2.gz WMUWXUKVQDMYFU-UHFFFAOYSA-N -1 3 317.399 2.902 20 0 DFADHM CSc1cccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821984970 606475533 /nfs/dbraw/zinc/47/55/33/606475533.db2.gz WMUWXUKVQDMYFU-UHFFFAOYSA-N -1 3 317.399 2.902 20 0 DFADHM c1ccc(C[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823779741 606476810 /nfs/dbraw/zinc/47/68/10/606476810.db2.gz ICJGHGJUFLLPGF-INIZCTEOSA-N -1 3 320.400 2.863 20 0 DFADHM c1ccc(C[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823779741 606476812 /nfs/dbraw/zinc/47/68/12/606476812.db2.gz ICJGHGJUFLLPGF-INIZCTEOSA-N -1 3 320.400 2.863 20 0 DFADHM CCO[C@@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1(CC)CC ZINC000821357256 606477323 /nfs/dbraw/zinc/47/73/23/606477323.db2.gz BPHFTFYXKRUVJG-CHWSQXEVSA-N -1 3 316.409 2.657 20 0 DFADHM CCO[C@@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1(CC)CC ZINC000821357256 606477325 /nfs/dbraw/zinc/47/73/25/606477325.db2.gz BPHFTFYXKRUVJG-CHWSQXEVSA-N -1 3 316.409 2.657 20 0 DFADHM CCN(Cc1cccs1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821230949 606483552 /nfs/dbraw/zinc/48/35/52/606483552.db2.gz VSHZGOIFUITCPC-UHFFFAOYSA-N -1 3 319.415 2.652 20 0 DFADHM CCN(Cc1cccs1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821230949 606483553 /nfs/dbraw/zinc/48/35/53/606483553.db2.gz VSHZGOIFUITCPC-UHFFFAOYSA-N -1 3 319.415 2.652 20 0 DFADHM Cc1cc(C)c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822193966 606485721 /nfs/dbraw/zinc/48/57/21/606485721.db2.gz BRIPUPKUMUTKKB-UHFFFAOYSA-N -1 3 321.384 2.973 20 0 DFADHM Cc1cc(C)c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822193966 606485723 /nfs/dbraw/zinc/48/57/23/606485723.db2.gz BRIPUPKUMUTKKB-UHFFFAOYSA-N -1 3 321.384 2.973 20 0 DFADHM CC(C)CCC[C@@H](C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820072660 606486746 /nfs/dbraw/zinc/48/67/46/606486746.db2.gz JVZQZFGTKPPGHF-CYBMUJFWSA-N -1 3 315.421 2.740 20 0 DFADHM CC(C)CCC[C@@H](C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820072660 606486747 /nfs/dbraw/zinc/48/67/47/606486747.db2.gz JVZQZFGTKPPGHF-CYBMUJFWSA-N -1 3 315.421 2.740 20 0 DFADHM C[C@H]1CC=CC[C@H]1COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820678225 606488429 /nfs/dbraw/zinc/48/84/29/606488429.db2.gz UBAHLGOIRJZSIC-WFASDCNBSA-N -1 3 312.373 2.555 20 0 DFADHM C[C@H]1CC=CC[C@H]1COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820678225 606488430 /nfs/dbraw/zinc/48/84/30/606488430.db2.gz UBAHLGOIRJZSIC-WFASDCNBSA-N -1 3 312.373 2.555 20 0 DFADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820038406 606507093 /nfs/dbraw/zinc/50/70/93/606507093.db2.gz NKYWVNLFELNOQE-JQWIXIFHSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820038406 606507095 /nfs/dbraw/zinc/50/70/95/606507095.db2.gz NKYWVNLFELNOQE-JQWIXIFHSA-N -1 3 319.434 2.873 20 0 DFADHM C[C@H]1CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000820732847 606511439 /nfs/dbraw/zinc/51/14/39/606511439.db2.gz AIPWWUMTCQWFAE-LBPRGKRZSA-N -1 3 319.368 2.560 20 0 DFADHM C[C@H]1CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000820732847 606511441 /nfs/dbraw/zinc/51/14/41/606511441.db2.gz AIPWWUMTCQWFAE-LBPRGKRZSA-N -1 3 319.368 2.560 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCC1CCC1 ZINC000821407754 606532914 /nfs/dbraw/zinc/53/29/14/606532914.db2.gz 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322.372 2.945 20 0 DFADHM O=C(OCSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823413439 606638148 /nfs/dbraw/zinc/63/81/48/606638148.db2.gz HPEGQQFPSFPQON-UHFFFAOYSA-N -1 3 312.354 2.773 20 0 DFADHM O=C(OCSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823413439 606638149 /nfs/dbraw/zinc/63/81/49/606638149.db2.gz HPEGQQFPSFPQON-UHFFFAOYSA-N -1 3 312.354 2.773 20 0 DFADHM CC(C)c1cnc(CNc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000820196708 606638405 /nfs/dbraw/zinc/63/84/05/606638405.db2.gz ACDCDXFSQAIOKR-UHFFFAOYSA-N -1 3 302.313 2.729 20 0 DFADHM CC(C)c1cnc(CNc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000820196708 606638406 /nfs/dbraw/zinc/63/84/06/606638406.db2.gz ACDCDXFSQAIOKR-UHFFFAOYSA-N -1 3 302.313 2.729 20 0 DFADHM O=C(Oc1cccc(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823454384 606663182 /nfs/dbraw/zinc/66/31/82/606663182.db2.gz PHRFGOCCHIDTTD-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM O=C(Oc1cccc(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823454384 606663183 /nfs/dbraw/zinc/66/31/83/606663183.db2.gz 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CC[C@H]1CCC[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820981499 606764722 /nfs/dbraw/zinc/76/47/22/606764722.db2.gz RZHAKSBWPRGEBB-JQWIXIFHSA-N -1 3 316.434 2.732 20 0 DFADHM CCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821293298 606773357 /nfs/dbraw/zinc/77/33/57/606773357.db2.gz JZAZVXHRKNJSNW-UHFFFAOYSA-N -1 3 323.356 2.717 20 0 DFADHM CCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821293298 606773359 /nfs/dbraw/zinc/77/33/59/606773359.db2.gz JZAZVXHRKNJSNW-UHFFFAOYSA-N -1 3 323.356 2.717 20 0 DFADHM Cc1csc(COc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000822414549 606780899 /nfs/dbraw/zinc/78/08/99/606780899.db2.gz JZYAHXJYYQVWNL-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM Cc1csc(COc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000822414549 606780901 /nfs/dbraw/zinc/78/09/01/606780901.db2.gz JZYAHXJYYQVWNL-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM CC[C@H](C)CSCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820869528 606795871 /nfs/dbraw/zinc/79/58/71/606795871.db2.gz HKGNWQLTBQBEDS-JTQLQIEISA-N -1 3 305.407 2.585 20 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/nfs/dbraw/zinc/95/93/05/606959305.db2.gz UHJUAOFXKOPDJN-NSHDSACASA-N -1 3 309.348 2.957 20 0 DFADHM CN(C(=O)[C@H]1CC12CCC2)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569548 606960944 /nfs/dbraw/zinc/96/09/44/606960944.db2.gz NQRGVSOIOXXLAO-LLVKDONJSA-N -1 3 317.780 2.673 20 0 DFADHM CN(C(=O)[C@H]1CC12CCC2)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569548 606960945 /nfs/dbraw/zinc/96/09/45/606960945.db2.gz NQRGVSOIOXXLAO-LLVKDONJSA-N -1 3 317.780 2.673 20 0 DFADHM CCCN(Cc1ccc(F)c(-c2nnn[n-]2)c1)CC(F)(F)F ZINC000821109736 606968279 /nfs/dbraw/zinc/96/82/79/606968279.db2.gz NOSOPJFLKSUROT-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM CCCN(Cc1ccc(F)c(-c2nn[n-]n2)c1)CC(F)(F)F ZINC000821109736 606968280 /nfs/dbraw/zinc/96/82/80/606968280.db2.gz NOSOPJFLKSUROT-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM CN(C(=O)C=Cc1ccsc1)c1ccccc1-c1nnn[n-]1 ZINC000821569888 606969057 /nfs/dbraw/zinc/96/90/57/606969057.db2.gz ZHXPXXIOWNPFIS-VOTSOKGWSA-N -1 3 311.370 2.604 20 0 DFADHM CN(C(=O)C=Cc1ccsc1)c1ccccc1-c1nn[n-]n1 ZINC000821569888 606969058 /nfs/dbraw/zinc/96/90/58/606969058.db2.gz ZHXPXXIOWNPFIS-VOTSOKGWSA-N -1 3 311.370 2.604 20 0 DFADHM Fc1ccc(CSC(=S)N2CCCC2)cc1-c1nnn[n-]1 ZINC000822772454 607007469 /nfs/dbraw/zinc/00/74/69/607007469.db2.gz ZOACCPURKDSSTI-UHFFFAOYSA-N -1 3 323.422 2.620 20 0 DFADHM Fc1ccc(CSC(=S)N2CCCC2)cc1-c1nn[n-]n1 ZINC000822772454 607007471 /nfs/dbraw/zinc/00/74/71/607007471.db2.gz ZOACCPURKDSSTI-UHFFFAOYSA-N -1 3 323.422 2.620 20 0 DFADHM c1sc(CNCc2nc(C3CC3)cs2)cc1-c1nnn[n-]1 ZINC000823821734 607008973 /nfs/dbraw/zinc/00/89/73/607008973.db2.gz YVQVJPTZSVGXFL-UHFFFAOYSA-N -1 3 318.431 2.552 20 0 DFADHM c1sc(CNCc2nc(C3CC3)cs2)cc1-c1nn[n-]n1 ZINC000823821734 607008974 /nfs/dbraw/zinc/00/89/74/607008974.db2.gz YVQVJPTZSVGXFL-UHFFFAOYSA-N -1 3 318.431 2.552 20 0 DFADHM Cc1cccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822299225 607032424 /nfs/dbraw/zinc/03/24/24/607032424.db2.gz BWBPWGFECLELOE-MRXNPFEDSA-N -1 3 306.373 2.912 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C(CC)CC ZINC000821400543 607032976 /nfs/dbraw/zinc/03/29/76/607032976.db2.gz KZELTFYYZWFMCX-UHFFFAOYSA-N -1 3 315.377 2.950 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C(CC)CC ZINC000821400543 607032977 /nfs/dbraw/zinc/03/29/77/607032977.db2.gz KZELTFYYZWFMCX-UHFFFAOYSA-N -1 3 315.377 2.950 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820684167 607036146 /nfs/dbraw/zinc/03/61/46/607036146.db2.gz MRCOVJBGYRBHJU-ZJUUUORDSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820684167 607036147 /nfs/dbraw/zinc/03/61/47/607036147.db2.gz MRCOVJBGYRBHJU-ZJUUUORDSA-N -1 3 303.341 2.771 20 0 DFADHM CC=CC=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC ZINC000820833361 607042559 /nfs/dbraw/zinc/04/25/59/607042559.db2.gz WBPJYGKRRVHZRF-WZWXSLMZSA-N -1 3 312.377 2.759 20 0 DFADHM CC/C=C\COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821002687 607080837 /nfs/dbraw/zinc/08/08/37/607080837.db2.gz YRJFRSCXHHEFRF-WAYWQWQTSA-N -1 3 316.361 2.534 20 0 DFADHM CC/C=C\COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821002687 607080838 /nfs/dbraw/zinc/08/08/38/607080838.db2.gz YRJFRSCXHHEFRF-WAYWQWQTSA-N -1 3 316.361 2.534 20 0 DFADHM CCC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)CC ZINC000820833237 607089132 /nfs/dbraw/zinc/08/91/32/607089132.db2.gz URKWVWQUOHZUEW-UHFFFAOYSA-N -1 3 303.341 2.715 20 0 DFADHM CCC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)CC ZINC000820833237 607089134 /nfs/dbraw/zinc/08/91/34/607089134.db2.gz URKWVWQUOHZUEW-UHFFFAOYSA-N -1 3 303.341 2.715 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820684576 607090646 /nfs/dbraw/zinc/09/06/46/607090646.db2.gz RIRSYSHWNRVANO-VXGBXAGGSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820684576 607090647 /nfs/dbraw/zinc/09/06/47/607090647.db2.gz RIRSYSHWNRVANO-VXGBXAGGSA-N -1 3 300.362 2.736 20 0 DFADHM CCC(=CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)CC ZINC000820833466 607091367 /nfs/dbraw/zinc/09/13/67/607091367.db2.gz YEFANBUTIMDPSF-UHFFFAOYSA-N -1 3 304.325 2.795 20 0 DFADHM CCC(=CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)CC ZINC000820833466 607091365 /nfs/dbraw/zinc/09/13/65/607091365.db2.gz YEFANBUTIMDPSF-UHFFFAOYSA-N -1 3 304.325 2.795 20 0 DFADHM CCC[C@@H](CC)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821016525 607092462 /nfs/dbraw/zinc/09/24/62/607092462.db2.gz XCRUJHKZLUMUPD-WCQYABFASA-N -1 3 318.377 2.756 20 0 DFADHM CC(C)(C)c1cnc(COc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000819965567 607139043 /nfs/dbraw/zinc/13/90/43/607139043.db2.gz ILMCEFZQWZOHJT-UHFFFAOYSA-N -1 3 317.324 2.870 20 0 DFADHM CC(C)(C)c1cnc(COc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000819965567 607139044 /nfs/dbraw/zinc/13/90/44/607139044.db2.gz ILMCEFZQWZOHJT-UHFFFAOYSA-N -1 3 317.324 2.870 20 0 DFADHM CCC(=O)c1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820843398 607145487 /nfs/dbraw/zinc/14/54/87/607145487.db2.gz XUUOPTWOYZOWLY-UHFFFAOYSA-N -1 3 322.324 2.679 20 0 DFADHM CC(C)N(Cc1cn2ccccc2c1-c1nnn[n-]1)CC(F)F ZINC000820120288 607147717 /nfs/dbraw/zinc/14/77/17/607147717.db2.gz AIKMZBHRLBPVTI-UHFFFAOYSA-N -1 3 320.347 2.595 20 0 DFADHM CC(C)N(Cc1cn2ccccc2c1-c1nn[n-]n1)CC(F)F ZINC000820120288 607147719 /nfs/dbraw/zinc/14/77/19/607147719.db2.gz AIKMZBHRLBPVTI-UHFFFAOYSA-N -1 3 320.347 2.595 20 0 DFADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821016001 607164522 /nfs/dbraw/zinc/16/45/22/607164522.db2.gz UVPNVNAJWMKUKL-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821016001 607164523 /nfs/dbraw/zinc/16/45/23/607164523.db2.gz UVPNVNAJWMKUKL-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821016379 607164588 /nfs/dbraw/zinc/16/45/88/607164588.db2.gz VLMYLKHMMLXAJV-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821016379 607164589 /nfs/dbraw/zinc/16/45/89/607164589.db2.gz VLMYLKHMMLXAJV-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000823036549 607170680 /nfs/dbraw/zinc/17/06/80/607170680.db2.gz GQNQBHIAHDVIHM-UHFFFAOYSA-N -1 3 304.325 2.534 20 0 DFADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000823036549 607170681 /nfs/dbraw/zinc/17/06/81/607170681.db2.gz GQNQBHIAHDVIHM-UHFFFAOYSA-N -1 3 304.325 2.534 20 0 DFADHM CCCCO[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821071478 607190644 /nfs/dbraw/zinc/19/06/44/607190644.db2.gz FYJPFCKGZYTBBQ-VIFPVBQESA-N -1 3 323.784 2.664 20 0 DFADHM CCCCO[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821071478 607190645 /nfs/dbraw/zinc/19/06/45/607190645.db2.gz FYJPFCKGZYTBBQ-VIFPVBQESA-N -1 3 323.784 2.664 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)[C@@H]1C ZINC000820716859 607196470 /nfs/dbraw/zinc/19/64/70/607196470.db2.gz MBADLZWVXJKKAJ-RKDXNWHRSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)[C@@H]1C ZINC000820716859 607196471 /nfs/dbraw/zinc/19/64/71/607196471.db2.gz MBADLZWVXJKKAJ-RKDXNWHRSA-N -1 3 320.784 2.782 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCCCCC1 ZINC000823314972 607199467 /nfs/dbraw/zinc/19/94/67/607199467.db2.gz VSBSFAUSOWOCKW-UHFFFAOYSA-N -1 3 320.784 2.928 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCCCCC1 ZINC000823314972 607199468 /nfs/dbraw/zinc/19/94/68/607199468.db2.gz VSBSFAUSOWOCKW-UHFFFAOYSA-N -1 3 320.784 2.928 20 0 DFADHM C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820684154 607202403 /nfs/dbraw/zinc/20/24/03/607202403.db2.gz MPNOBGJKGBNVBB-DTORHVGOSA-N -1 3 320.784 2.925 20 0 DFADHM C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820684154 607202404 /nfs/dbraw/zinc/20/24/04/607202404.db2.gz MPNOBGJKGBNVBB-DTORHVGOSA-N -1 3 320.784 2.925 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CC2CCC1CC2 ZINC000822929471 607225363 /nfs/dbraw/zinc/22/53/63/607225363.db2.gz UWTSAEXHZVPDNR-ZIEKUIOWSA-N -1 3 323.400 2.575 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CC2CCC1CC2 ZINC000822929471 607225364 /nfs/dbraw/zinc/22/53/64/607225364.db2.gz UWTSAEXHZVPDNR-ZIEKUIOWSA-N -1 3 323.400 2.575 20 0 DFADHM CCOCc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000821384160 607227045 /nfs/dbraw/zinc/22/70/45/607227045.db2.gz RMTGGFPUFFGJQG-UHFFFAOYSA-N -1 3 324.388 2.719 20 0 DFADHM CCOCc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000821384160 607227046 /nfs/dbraw/zinc/22/70/46/607227046.db2.gz RMTGGFPUFFGJQG-UHFFFAOYSA-N -1 3 324.388 2.719 20 0 DFADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccco1 ZINC000819864976 607243130 /nfs/dbraw/zinc/24/31/30/607243130.db2.gz AZYLISAVSWRSNT-QMMMGPOBSA-N -1 3 317.736 2.855 20 0 DFADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccco1 ZINC000819864976 607243131 /nfs/dbraw/zinc/24/31/31/607243131.db2.gz AZYLISAVSWRSNT-QMMMGPOBSA-N -1 3 317.736 2.855 20 0 DFADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(F)(F)F ZINC000819866166 607243290 /nfs/dbraw/zinc/24/32/90/607243290.db2.gz KCMKRLHQAPFLPK-RXMQYKEDSA-N -1 3 319.674 2.657 20 0 DFADHM CC(C)c1cccnc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824352812 607777778 /nfs/dbraw/zinc/77/77/78/607777778.db2.gz OVMWIKHLAXTKAW-UHFFFAOYSA-N -1 3 322.372 2.566 20 0 DFADHM CC(C)c1cccnc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824352812 607777779 /nfs/dbraw/zinc/77/77/79/607777779.db2.gz OVMWIKHLAXTKAW-UHFFFAOYSA-N -1 3 322.372 2.566 20 0 DFADHM CCN(C(=O)CCC(C)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372187 607796671 /nfs/dbraw/zinc/79/66/71/607796671.db2.gz RXQVKNHKQNIJKI-UHFFFAOYSA-N -1 3 309.320 2.655 20 0 DFADHM CCN(C(=O)CCC(C)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372187 607796670 /nfs/dbraw/zinc/79/66/70/607796670.db2.gz RXQVKNHKQNIJKI-UHFFFAOYSA-N -1 3 309.320 2.655 20 0 DFADHM CCN(C(=O)C[C@@H](C)n1cccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367370 607797141 /nfs/dbraw/zinc/79/71/41/607797141.db2.gz OIBISHSJMQYHCS-CYBMUJFWSA-N -1 3 324.388 2.672 20 0 DFADHM CCN(C(=O)C[C@@H](C)n1cccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367370 607797142 /nfs/dbraw/zinc/79/71/42/607797142.db2.gz OIBISHSJMQYHCS-CYBMUJFWSA-N -1 3 324.388 2.672 20 0 DFADHM Cc1ccc(CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)o1 ZINC000826286718 607815487 /nfs/dbraw/zinc/81/54/87/607815487.db2.gz NKZZLHYXMCGUNU-UHFFFAOYSA-N -1 3 317.736 2.603 20 0 DFADHM Cc1ccc(CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)o1 ZINC000826286718 607815488 /nfs/dbraw/zinc/81/54/88/607815488.db2.gz NKZZLHYXMCGUNU-UHFFFAOYSA-N -1 3 317.736 2.603 20 0 DFADHM CC1(C)C[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824790350 607821246 /nfs/dbraw/zinc/82/12/46/607821246.db2.gz MEBKQTJMDGJNSM-SNVBAGLBSA-N -1 3 307.785 2.890 20 0 DFADHM CC1(C)C[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824790350 607821247 /nfs/dbraw/zinc/82/12/47/607821247.db2.gz MEBKQTJMDGJNSM-SNVBAGLBSA-N -1 3 307.785 2.890 20 0 DFADHM CC1(C)C[C@@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000824789738 607821338 /nfs/dbraw/zinc/82/13/38/607821338.db2.gz JHDGEKQUXDGGJT-VIFPVBQESA-N -1 3 309.320 2.514 20 0 DFADHM CC1(C)C[C@@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824789738 607821339 /nfs/dbraw/zinc/82/13/39/607821339.db2.gz JHDGEKQUXDGGJT-VIFPVBQESA-N -1 3 309.320 2.514 20 0 DFADHM Cc1ccccc1[C@@H](O)COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000826305903 607874389 /nfs/dbraw/zinc/87/43/89/607874389.db2.gz LSZXNGSSKLRIBP-INIZCTEOSA-N -1 3 324.384 2.904 20 0 DFADHM CCN(C(=O)[C@@H]1C[C@@H]1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367441 607878920 /nfs/dbraw/zinc/87/89/20/607878920.db2.gz QCEIMXZJECBYFO-GZMMTYOYSA-N -1 3 305.769 2.529 20 0 DFADHM CCN(C(=O)[C@@H]1C[C@@H]1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367441 607878921 /nfs/dbraw/zinc/87/89/21/607878921.db2.gz QCEIMXZJECBYFO-GZMMTYOYSA-N -1 3 305.769 2.529 20 0 DFADHM CC1(C)CCC[C@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824801376 607881102 /nfs/dbraw/zinc/88/11/02/607881102.db2.gz FBEAOWALPNMJIX-AWEZNQCLSA-N -1 3 313.405 2.699 20 0 DFADHM CC1(C)CCC[C@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824801376 607881103 /nfs/dbraw/zinc/88/11/03/607881103.db2.gz FBEAOWALPNMJIX-AWEZNQCLSA-N -1 3 313.405 2.699 20 0 DFADHM Clc1cccc(OCCCn2ccc(-c3nnn[n-]3)c2)c1 ZINC000826353224 607892615 /nfs/dbraw/zinc/89/26/15/607892615.db2.gz GVCDPJZDKGZTGO-UHFFFAOYSA-N -1 3 303.753 2.791 20 0 DFADHM Clc1cccc(OCCCn2ccc(-c3nn[n-]n3)c2)c1 ZINC000826353224 607892616 /nfs/dbraw/zinc/89/26/16/607892616.db2.gz GVCDPJZDKGZTGO-UHFFFAOYSA-N -1 3 303.753 2.791 20 0 DFADHM COc1cc(C)nc(CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826178581 607931692 /nfs/dbraw/zinc/93/16/92/607931692.db2.gz DGIZCWDFDDHODE-UHFFFAOYSA-N -1 3 313.386 2.871 20 0 DFADHM COc1cc(C)nc(CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826178581 607931693 /nfs/dbraw/zinc/93/16/93/607931693.db2.gz DGIZCWDFDDHODE-UHFFFAOYSA-N -1 3 313.386 2.871 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824927859 607946218 /nfs/dbraw/zinc/94/62/18/607946218.db2.gz QVWKDDUSPPEONF-SMDDNHRTSA-N -1 3 311.389 2.582 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824927859 607946219 /nfs/dbraw/zinc/94/62/19/607946219.db2.gz QVWKDDUSPPEONF-SMDDNHRTSA-N -1 3 311.389 2.582 20 0 DFADHM CCC1(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)CCCC1 ZINC000825159843 607950014 /nfs/dbraw/zinc/95/00/14/607950014.db2.gz UOWMHGCIUVPBAY-UHFFFAOYSA-N -1 3 311.389 2.726 20 0 DFADHM CCC1(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)CCCC1 ZINC000825159843 607950015 /nfs/dbraw/zinc/95/00/15/607950015.db2.gz UOWMHGCIUVPBAY-UHFFFAOYSA-N -1 3 311.389 2.726 20 0 DFADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(O)cc1 ZINC000825782961 607975753 /nfs/dbraw/zinc/97/57/53/607975753.db2.gz XCRBFUUDZVHTMN-UHFFFAOYSA-N -1 3 306.329 2.609 20 0 DFADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(O)cc1 ZINC000825782961 607975754 /nfs/dbraw/zinc/97/57/54/607975754.db2.gz XCRBFUUDZVHTMN-UHFFFAOYSA-N -1 3 306.329 2.609 20 0 DFADHM C[C@H](OC(=O)C=Cc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824715470 607989685 /nfs/dbraw/zinc/98/96/85/607989685.db2.gz SHRUJVGWHNLGPZ-KRZKBDHCSA-N -1 3 321.340 2.579 20 0 DFADHM C[C@H](OC(=O)C=Cc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824715470 607989686 /nfs/dbraw/zinc/98/96/86/607989686.db2.gz SHRUJVGWHNLGPZ-KRZKBDHCSA-N -1 3 321.340 2.579 20 0 DFADHM Cc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1O ZINC000826298734 607999665 /nfs/dbraw/zinc/99/96/65/607999665.db2.gz FUVZWDHTRJHXKU-MDZDMXLPSA-N -1 3 321.340 2.533 20 0 DFADHM Cc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1O ZINC000826298734 607999666 /nfs/dbraw/zinc/99/96/66/607999666.db2.gz FUVZWDHTRJHXKU-MDZDMXLPSA-N -1 3 321.340 2.533 20 0 DFADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC12CCCCC2 ZINC000826471704 608009610 /nfs/dbraw/zinc/00/96/10/608009610.db2.gz JYHPEQRSHADDDS-UHFFFAOYSA-N -1 3 311.389 2.806 20 0 DFADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC12CCCCC2 ZINC000826471704 608009611 /nfs/dbraw/zinc/00/96/11/608009611.db2.gz JYHPEQRSHADDDS-UHFFFAOYSA-N -1 3 311.389 2.806 20 0 DFADHM Fc1ccc(CN(CC(F)(F)F)C2CC2)cc1-c1nnn[n-]1 ZINC000826373828 608038269 /nfs/dbraw/zinc/03/82/69/608038269.db2.gz AYHIYOWANZOROC-UHFFFAOYSA-N -1 3 315.274 2.533 20 0 DFADHM Fc1ccc(CN(CC(F)(F)F)C2CC2)cc1-c1nn[n-]n1 ZINC000826373828 608038270 /nfs/dbraw/zinc/03/82/70/608038270.db2.gz AYHIYOWANZOROC-UHFFFAOYSA-N -1 3 315.274 2.533 20 0 DFADHM Cc1cc2c(ncnc2Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826272950 608046393 /nfs/dbraw/zinc/04/63/93/608046393.db2.gz IGBRQJGQXGOGNO-UHFFFAOYSA-N -1 3 310.342 2.972 20 0 DFADHM Cc1cc2c(ncnc2NCc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826272802 608047904 /nfs/dbraw/zinc/04/79/04/608047904.db2.gz BRCKGPDFIXJOPI-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM Cc1cc2c(ncnc2NCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826272802 608047905 /nfs/dbraw/zinc/04/79/05/608047905.db2.gz BRCKGPDFIXJOPI-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2Br)C[C@H]1C ZINC000824991458 608050511 /nfs/dbraw/zinc/05/05/11/608050511.db2.gz BHOQMMMGLRBTNL-DTORHVGOSA-N -1 3 322.210 2.721 20 0 DFADHM CN(c1ccc(-c2nn[n-]n2)cc1Br)C1CCC1 ZINC000826004064 608050735 /nfs/dbraw/zinc/05/07/35/608050735.db2.gz HAHKKDJROUMTQG-UHFFFAOYSA-N -1 3 308.183 2.618 20 0 DFADHM CC(C)(C)n1cc(NCc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000824153048 608055403 /nfs/dbraw/zinc/05/54/03/608055403.db2.gz ZNNAANLQMOAYQL-UHFFFAOYSA-N -1 3 315.356 2.569 20 0 DFADHM CC(C)(C)n1cc(NCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000824153048 608055404 /nfs/dbraw/zinc/05/54/04/608055404.db2.gz ZNNAANLQMOAYQL-UHFFFAOYSA-N -1 3 315.356 2.569 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccncc1)C1CC1 ZINC000826371583 608079681 /nfs/dbraw/zinc/07/96/81/608079681.db2.gz LSTTURLFBFSMSR-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccncc1)C1CC1 ZINC000826371583 608079682 /nfs/dbraw/zinc/07/96/82/608079682.db2.gz LSTTURLFBFSMSR-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM C[C@H]1CCc2ccccc2[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000824966420 608099250 /nfs/dbraw/zinc/09/92/50/608099250.db2.gz AVDOIZRJRIZMTA-XHDPSFHLSA-N -1 3 306.373 2.997 20 0 DFADHM C[C@H]1CCc2ccccc2[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000824966420 608099251 /nfs/dbraw/zinc/09/92/51/608099251.db2.gz AVDOIZRJRIZMTA-XHDPSFHLSA-N -1 3 306.373 2.997 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826231980 608142039 /nfs/dbraw/zinc/14/20/39/608142039.db2.gz ZFKUGIOXRXWWEU-GFCCVEGCSA-N -1 3 308.341 2.714 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826231980 608142040 /nfs/dbraw/zinc/14/20/40/608142040.db2.gz ZFKUGIOXRXWWEU-GFCCVEGCSA-N -1 3 308.341 2.714 20 0 DFADHM O=C(CCCC(F)(F)F)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826405935 608149253 /nfs/dbraw/zinc/14/92/53/608149253.db2.gz AAXVMGBDZKPMPB-UHFFFAOYSA-N -1 3 300.240 2.505 20 0 DFADHM O=C(CCCC(F)(F)F)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826405935 608149255 /nfs/dbraw/zinc/14/92/55/608149255.db2.gz AAXVMGBDZKPMPB-UHFFFAOYSA-N -1 3 300.240 2.505 20 0 DFADHM O=Cc1cc(F)c(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826483837 608154729 /nfs/dbraw/zinc/15/47/29/608154729.db2.gz BLUORHUCKAIBKO-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM O=Cc1cc(F)c(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826483837 608154730 /nfs/dbraw/zinc/15/47/30/608154730.db2.gz BLUORHUCKAIBKO-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM C[C@@H]1C[C@H](CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824882365 608195138 /nfs/dbraw/zinc/19/51/38/608195138.db2.gz ANXLAVHCIYPLNV-VXGBXAGGSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H]1C[C@H](CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824882365 608195139 /nfs/dbraw/zinc/19/51/39/608195139.db2.gz ANXLAVHCIYPLNV-VXGBXAGGSA-N -1 3 324.388 2.642 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C1CCSCC1 ZINC000826277218 608221905 /nfs/dbraw/zinc/22/19/05/608221905.db2.gz NNDIPJHUJUSBDD-UHFFFAOYSA-N -1 3 315.402 2.567 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C1CCSCC1 ZINC000826277218 608221907 /nfs/dbraw/zinc/22/19/07/608221907.db2.gz NNDIPJHUJUSBDD-UHFFFAOYSA-N -1 3 315.402 2.567 20 0 DFADHM CSC[C@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826228430 608229062 /nfs/dbraw/zinc/22/90/62/608229062.db2.gz ODFVNBPFHCEQLP-VIFPVBQESA-N -1 3 300.391 2.578 20 0 DFADHM CSC[C@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826228430 608229063 /nfs/dbraw/zinc/22/90/63/608229063.db2.gz ODFVNBPFHCEQLP-VIFPVBQESA-N -1 3 300.391 2.578 20 0 DFADHM Cc1cccc(C)c1[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000826296901 608248972 /nfs/dbraw/zinc/24/89/72/608248972.db2.gz NXZNGRBRSNPKBC-GFCCVEGCSA-N -1 3 323.356 2.797 20 0 DFADHM Cc1cccc(C)c1[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826296901 608248973 /nfs/dbraw/zinc/24/89/73/608248973.db2.gz NXZNGRBRSNPKBC-GFCCVEGCSA-N -1 3 323.356 2.797 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(F)cc1F ZINC000826172898 608262772 /nfs/dbraw/zinc/26/27/72/608262772.db2.gz CLXYDKGFUMXDPZ-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(F)cc1F ZINC000826172898 608262774 /nfs/dbraw/zinc/26/27/74/608262774.db2.gz CLXYDKGFUMXDPZ-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nc(C)cs1 ZINC000826173701 608263069 /nfs/dbraw/zinc/26/30/69/608263069.db2.gz QEFSDPRHZHQAJF-UHFFFAOYSA-N -1 3 319.415 2.933 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nc(C)cs1 ZINC000826173701 608263071 /nfs/dbraw/zinc/26/30/71/608263071.db2.gz QEFSDPRHZHQAJF-UHFFFAOYSA-N -1 3 319.415 2.933 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ccc(O)cc1 ZINC000826173741 608264317 /nfs/dbraw/zinc/26/43/17/608264317.db2.gz SELBZCUDTUZSQF-UHFFFAOYSA-N -1 3 314.370 2.873 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ccc(O)cc1 ZINC000826173741 608264319 /nfs/dbraw/zinc/26/43/19/608264319.db2.gz SELBZCUDTUZSQF-UHFFFAOYSA-N -1 3 314.370 2.873 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000826278004 608274703 /nfs/dbraw/zinc/27/47/03/608274703.db2.gz OHEADTOPNYRHRR-JQWIXIFHSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000826278004 608274705 /nfs/dbraw/zinc/27/47/05/608274705.db2.gz OHEADTOPNYRHRR-JQWIXIFHSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1cc(C)cc(OCCNc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC000826265355 608276368 /nfs/dbraw/zinc/27/63/68/608276368.db2.gz WCMIGNZRRIZZOY-UHFFFAOYSA-N -1 3 324.388 2.678 20 0 DFADHM Cc1cc(C)cc(OCCNc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC000826265355 608276370 /nfs/dbraw/zinc/27/63/70/608276370.db2.gz WCMIGNZRRIZZOY-UHFFFAOYSA-N -1 3 324.388 2.678 20 0 DFADHM CCS[C@H]1CCCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC000825669195 608286328 /nfs/dbraw/zinc/28/63/28/608286328.db2.gz RWRRKVGUTYWHIQ-LBPRGKRZSA-N -1 3 318.450 2.682 20 0 DFADHM CCS[C@H]1CCCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC000825669195 608286329 /nfs/dbraw/zinc/28/63/29/608286329.db2.gz RWRRKVGUTYWHIQ-LBPRGKRZSA-N -1 3 318.450 2.682 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2cc3ccccc3o2)n1 ZINC000826276734 608290245 /nfs/dbraw/zinc/29/02/45/608290245.db2.gz UFZCMOHXDUZWIY-UHFFFAOYSA-N -1 3 320.356 2.971 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2cc3ccccc3o2)n1 ZINC000826276734 608290246 /nfs/dbraw/zinc/29/02/46/608290246.db2.gz UFZCMOHXDUZWIY-UHFFFAOYSA-N -1 3 320.356 2.971 20 0 DFADHM CSCCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826228793 608291553 /nfs/dbraw/zinc/29/15/53/608291553.db2.gz AHONAHMVMCIKRU-UHFFFAOYSA-N -1 3 307.448 2.596 20 0 DFADHM CSCCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826228793 608291555 /nfs/dbraw/zinc/29/15/55/608291555.db2.gz AHONAHMVMCIKRU-UHFFFAOYSA-N -1 3 307.448 2.596 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2ccc(F)cc2C)n1 ZINC000826276470 608295562 /nfs/dbraw/zinc/29/55/62/608295562.db2.gz IDHQWRFVUWQHOW-UHFFFAOYSA-N -1 3 312.352 2.672 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2ccc(F)cc2C)n1 ZINC000826276470 608295564 /nfs/dbraw/zinc/29/55/64/608295564.db2.gz IDHQWRFVUWQHOW-UHFFFAOYSA-N -1 3 312.352 2.672 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](c2cccnc2)C(C)C)n1 ZINC000826276203 608295962 /nfs/dbraw/zinc/29/59/62/608295962.db2.gz XLYZVPFXIOGINL-HNNXBMFYSA-N -1 3 323.404 2.817 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](c2cccnc2)C(C)C)n1 ZINC000826276203 608295963 /nfs/dbraw/zinc/29/59/63/608295963.db2.gz XLYZVPFXIOGINL-HNNXBMFYSA-N -1 3 323.404 2.817 20 0 DFADHM CCC1(CC)[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C[C@H]1OC ZINC000825171494 608297563 /nfs/dbraw/zinc/29/75/63/608297563.db2.gz QXIYGAPYTFJAGO-CHWSQXEVSA-N -1 3 316.409 2.576 20 0 DFADHM CCC1(CC)[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C[C@H]1OC ZINC000825171494 608297565 /nfs/dbraw/zinc/29/75/65/608297565.db2.gz QXIYGAPYTFJAGO-CHWSQXEVSA-N -1 3 316.409 2.576 20 0 DFADHM CS[C@@H](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826226420 608301241 /nfs/dbraw/zinc/30/12/41/608301241.db2.gz ZAOCPTMKZLLXHB-VIFPVBQESA-N -1 3 305.407 2.645 20 0 DFADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC[C@@H]1C ZINC000824962272 608302970 /nfs/dbraw/zinc/30/29/70/608302970.db2.gz RLALDSFGLUZWHM-RYUDHWBXSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC[C@@H]1C ZINC000824962272 608302972 /nfs/dbraw/zinc/30/29/72/608302972.db2.gz RLALDSFGLUZWHM-RYUDHWBXSA-N -1 3 308.389 2.897 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1CCCCO1 ZINC000826173858 608323337 /nfs/dbraw/zinc/32/33/37/608323337.db2.gz YKDBADPYYRMMOR-ZDUSSCGKSA-N -1 3 320.418 2.678 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1CCCCO1 ZINC000826173858 608323339 /nfs/dbraw/zinc/32/33/39/608323339.db2.gz YKDBADPYYRMMOR-ZDUSSCGKSA-N -1 3 320.418 2.678 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)/C=C/C(C)(C)C ZINC000826171585 608350707 /nfs/dbraw/zinc/35/07/07/608350707.db2.gz ROVVADCPSUUWQD-BQYQJAHWSA-N -1 3 316.361 2.521 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)/C=C/C(C)(C)C ZINC000826171585 608350709 /nfs/dbraw/zinc/35/07/09/608350709.db2.gz ROVVADCPSUUWQD-BQYQJAHWSA-N -1 3 316.361 2.521 20 0 DFADHM CCC(C)(C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825038893 608360998 /nfs/dbraw/zinc/36/09/98/608360998.db2.gz IQJLDDJUZWPOAQ-UHFFFAOYSA-N -1 3 318.377 2.745 20 0 DFADHM CCC(C)(C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825038893 608361000 /nfs/dbraw/zinc/36/10/00/608361000.db2.gz IQJLDDJUZWPOAQ-UHFFFAOYSA-N -1 3 318.377 2.745 20 0 DFADHM C[C@H]1CSC(SCc2cccc(-c3nnn[n-]3)c2F)=N1 ZINC000825014781 608398742 /nfs/dbraw/zinc/39/87/42/608398742.db2.gz XWFANNUXFFMKKB-ZETCQYMHSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@H]1CSC(SCc2cccc(-c3nn[n-]n3)c2F)=N1 ZINC000825014781 608398744 /nfs/dbraw/zinc/39/87/44/608398744.db2.gz XWFANNUXFFMKKB-ZETCQYMHSA-N -1 3 309.395 2.730 20 0 DFADHM CSCCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826228974 608404275 /nfs/dbraw/zinc/40/42/75/608404275.db2.gz JHXKKYIGPFWEEV-UHFFFAOYSA-N -1 3 310.448 2.732 20 0 DFADHM CSCCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826228974 608404277 /nfs/dbraw/zinc/40/42/77/608404277.db2.gz JHXKKYIGPFWEEV-UHFFFAOYSA-N -1 3 310.448 2.732 20 0 DFADHM CO[C@H]1CCC[C@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826145563 608415057 /nfs/dbraw/zinc/41/50/57/608415057.db2.gz IXYHPMHOWUAIKO-ZFWWWQNUSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@H]1CCC[C@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826145563 608415059 /nfs/dbraw/zinc/41/50/59/608415059.db2.gz IXYHPMHOWUAIKO-ZFWWWQNUSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826146025 608417059 /nfs/dbraw/zinc/41/70/59/608417059.db2.gz OZLSVVLAVQAKPK-TVQRCGJNSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826146025 608417060 /nfs/dbraw/zinc/41/70/60/608417060.db2.gz OZLSVVLAVQAKPK-TVQRCGJNSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000826146034 608417193 /nfs/dbraw/zinc/41/71/93/608417193.db2.gz PEHRQRGQLCFCFQ-BXKDBHETSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000826146034 608417194 /nfs/dbraw/zinc/41/71/94/608417194.db2.gz PEHRQRGQLCFCFQ-BXKDBHETSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H](c1ccncc1)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824778450 608417911 /nfs/dbraw/zinc/41/79/11/608417911.db2.gz PDGVIHGBVNSYMY-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM C[C@@H](c1ccncc1)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824778450 608417912 /nfs/dbraw/zinc/41/79/12/608417912.db2.gz PDGVIHGBVNSYMY-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM Cc1c(NCc2cc(-c3nnn[n-]3)cs2)cnn1CC(C)C ZINC000826242352 608428194 /nfs/dbraw/zinc/42/81/94/608428194.db2.gz LJYWEJSTZVLKHJ-UHFFFAOYSA-N -1 3 317.422 2.701 20 0 DFADHM Cc1c(NCc2cc(-c3nn[n-]n3)cs2)cnn1CC(C)C ZINC000826242352 608428195 /nfs/dbraw/zinc/42/81/95/608428195.db2.gz LJYWEJSTZVLKHJ-UHFFFAOYSA-N -1 3 317.422 2.701 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1F ZINC000825966283 608498039 /nfs/dbraw/zinc/49/80/39/608498039.db2.gz WNCFEMYGDYIEEC-UHFFFAOYSA-N -1 3 303.366 2.699 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1F ZINC000825966283 608498040 /nfs/dbraw/zinc/49/80/40/608498040.db2.gz WNCFEMYGDYIEEC-UHFFFAOYSA-N -1 3 303.366 2.699 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccc(Cl)cc1 ZINC000825966250 608500526 /nfs/dbraw/zinc/50/05/26/608500526.db2.gz UXPGJPLOXRKBIF-UHFFFAOYSA-N -1 3 303.753 2.745 20 0 DFADHM FC(F)(F)[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826367104 608501166 /nfs/dbraw/zinc/50/11/66/608501166.db2.gz MABXOAVAYLHYIT-QMMMGPOBSA-N -1 3 317.340 2.703 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(F)cc1F ZINC000825961538 608513578 /nfs/dbraw/zinc/51/35/78/608513578.db2.gz HRSHZTRHHMOTKN-UHFFFAOYSA-N -1 3 321.356 2.838 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccc(F)cc1F ZINC000825961538 608513579 /nfs/dbraw/zinc/51/35/79/608513579.db2.gz HRSHZTRHHMOTKN-UHFFFAOYSA-N -1 3 321.356 2.838 20 0 DFADHM Cc1cc([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)s2)no1 ZINC000826265535 608546167 /nfs/dbraw/zinc/54/61/67/608546167.db2.gz CZCFQHMDGRXNDV-GFCCVEGCSA-N -1 3 316.390 2.562 20 0 DFADHM Cc1cc([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)s2)no1 ZINC000826265535 608546169 /nfs/dbraw/zinc/54/61/69/608546169.db2.gz CZCFQHMDGRXNDV-GFCCVEGCSA-N -1 3 316.390 2.562 20 0 DFADHM CC1(C)CC[C@@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000824803046 608554146 /nfs/dbraw/zinc/55/41/46/608554146.db2.gz SAMLWNQMUDDSEZ-MEJMFZKBSA-N -1 3 311.389 2.575 20 0 DFADHM CC1(C)CC[C@@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000824803046 608554148 /nfs/dbraw/zinc/55/41/48/608554148.db2.gz SAMLWNQMUDDSEZ-MEJMFZKBSA-N -1 3 311.389 2.575 20 0 DFADHM CC1(C)CC[C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000824803048 608554182 /nfs/dbraw/zinc/55/41/82/608554182.db2.gz SAMLWNQMUDDSEZ-WSROAFLRSA-N -1 3 311.389 2.575 20 0 DFADHM CC1(C)CC[C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000824803048 608554184 /nfs/dbraw/zinc/55/41/84/608554184.db2.gz SAMLWNQMUDDSEZ-WSROAFLRSA-N -1 3 311.389 2.575 20 0 DFADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824937683 608573156 /nfs/dbraw/zinc/57/31/56/608573156.db2.gz QNQARMNMWWNGMA-RNCFNFMXSA-N -1 3 319.796 2.829 20 0 DFADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824937683 608573157 /nfs/dbraw/zinc/57/31/57/608573157.db2.gz QNQARMNMWWNGMA-RNCFNFMXSA-N -1 3 319.796 2.829 20 0 DFADHM CC(C)N(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(C)C ZINC000824284439 608574480 /nfs/dbraw/zinc/57/44/80/608574480.db2.gz IMXMUHSDHBBSGK-UHFFFAOYSA-N -1 3 307.785 2.779 20 0 DFADHM CC(C)N(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(C)C ZINC000824284439 608574481 /nfs/dbraw/zinc/57/44/81/608574481.db2.gz IMXMUHSDHBBSGK-UHFFFAOYSA-N -1 3 307.785 2.779 20 0 DFADHM CCOC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825494518 608582744 /nfs/dbraw/zinc/58/27/44/608582744.db2.gz XWDLFLATQBYECH-LBPRGKRZSA-N -1 3 306.391 2.547 20 0 DFADHM CCOC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825494518 608582745 /nfs/dbraw/zinc/58/27/45/608582745.db2.gz XWDLFLATQBYECH-LBPRGKRZSA-N -1 3 306.391 2.547 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](C)[C@H]1C ZINC000826278106 608601093 /nfs/dbraw/zinc/60/10/93/608601093.db2.gz RHBPSUJEQHCSLW-CMPLNLGQSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](C)[C@H]1C ZINC000826278106 608601095 /nfs/dbraw/zinc/60/10/95/608601095.db2.gz RHBPSUJEQHCSLW-CMPLNLGQSA-N -1 3 314.393 2.827 20 0 DFADHM CCN(CCCNc1cnccc1-c1nnn[n-]1)c1ccccc1 ZINC000825420062 608768259 /nfs/dbraw/zinc/76/82/59/608768259.db2.gz ZNGYAMBFKWORJQ-UHFFFAOYSA-N -1 3 323.404 2.590 20 0 DFADHM CCN(CCCNc1cnccc1-c1nn[n-]n1)c1ccccc1 ZINC000825420062 608768262 /nfs/dbraw/zinc/76/82/62/608768262.db2.gz ZNGYAMBFKWORJQ-UHFFFAOYSA-N -1 3 323.404 2.590 20 0 DFADHM Cc1c2ccccc2oc1CNc1cnccc1-c1nnn[n-]1 ZINC000826236412 608784261 /nfs/dbraw/zinc/78/42/61/608784261.db2.gz KVCJVRKLNBKZLD-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1c2ccccc2oc1CNc1cnccc1-c1nn[n-]n1 ZINC000826236412 608784264 /nfs/dbraw/zinc/78/42/64/608784264.db2.gz KVCJVRKLNBKZLD-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM CCO[C@@H]1C[C@H](Nc2cnccc2-c2nnn[n-]2)C1(CC)CC ZINC000825583937 608788954 /nfs/dbraw/zinc/78/89/54/608788954.db2.gz YPPZPWXLJHTLQZ-UONOGXRCSA-N -1 3 316.409 2.657 20 0 DFADHM CCO[C@@H]1C[C@H](Nc2cnccc2-c2nn[n-]n2)C1(CC)CC ZINC000825583937 608788956 /nfs/dbraw/zinc/78/89/56/608788956.db2.gz YPPZPWXLJHTLQZ-UONOGXRCSA-N -1 3 316.409 2.657 20 0 DFADHM CCO[C@@H](CCNc1cnccc1-c1nnn[n-]1)C1CCCC1 ZINC000825575923 608789047 /nfs/dbraw/zinc/78/90/47/608789047.db2.gz AEIFHTTYJJHNRT-HNNXBMFYSA-N -1 3 316.409 2.659 20 0 DFADHM CCO[C@@H](CCNc1cnccc1-c1nn[n-]n1)C1CCCC1 ZINC000825575923 608789048 /nfs/dbraw/zinc/78/90/48/608789048.db2.gz AEIFHTTYJJHNRT-HNNXBMFYSA-N -1 3 316.409 2.659 20 0 DFADHM COC[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826151714 608798338 /nfs/dbraw/zinc/79/83/38/608798338.db2.gz IHICMRDJNBWYNW-HNNXBMFYSA-N -1 3 313.336 2.805 20 0 DFADHM COC[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826151714 608798340 /nfs/dbraw/zinc/79/83/40/608798340.db2.gz IHICMRDJNBWYNW-HNNXBMFYSA-N -1 3 313.336 2.805 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OC)c1 ZINC000825480789 609178894 /nfs/dbraw/zinc/17/88/94/609178894.db2.gz KZGVCRRDGVQQKS-UHFFFAOYSA-N -1 3 324.388 2.919 20 0 DFADHM Cc1ccc([C@H](C)N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826283065 609200751 /nfs/dbraw/zinc/20/07/51/609200751.db2.gz JPKSOOVKTRCMAH-LBPRGKRZSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1ccc([C@H](C)N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826283065 609200753 /nfs/dbraw/zinc/20/07/53/609200753.db2.gz JPKSOOVKTRCMAH-LBPRGKRZSA-N -1 3 324.388 2.645 20 0 DFADHM C[C@H](NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cscn1 ZINC000824538163 609249765 /nfs/dbraw/zinc/24/97/65/609249765.db2.gz HYVZOTGKSKOKTN-JTQLQIEISA-N -1 3 312.402 2.663 20 0 DFADHM C[C@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cscn1 ZINC000824538163 609249767 /nfs/dbraw/zinc/24/97/67/609249767.db2.gz HYVZOTGKSKOKTN-JTQLQIEISA-N -1 3 312.402 2.663 20 0 DFADHM O=c1ccc2ccc(OCc3ccccc3-c3nnn[n-]3)cc2o1 ZINC000826502206 609265183 /nfs/dbraw/zinc/26/51/83/609265183.db2.gz YWCMHXQACLCSRF-UHFFFAOYSA-N -1 3 320.308 2.552 20 0 DFADHM O=c1ccc2ccc(OCc3ccccc3-c3nn[n-]n3)cc2o1 ZINC000826502206 609265185 /nfs/dbraw/zinc/26/51/85/609265185.db2.gz YWCMHXQACLCSRF-UHFFFAOYSA-N -1 3 320.308 2.552 20 0 DFADHM Cc1nn(C)c(C)c1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826333450 609269405 /nfs/dbraw/zinc/26/94/05/609269405.db2.gz IHBLLZCRDWFHLM-MRVPVSSYSA-N -1 3 315.356 2.529 20 0 DFADHM Cc1nn(C)c(C)c1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826333450 609269407 /nfs/dbraw/zinc/26/94/07/609269407.db2.gz IHBLLZCRDWFHLM-MRVPVSSYSA-N -1 3 315.356 2.529 20 0 DFADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1cncc(F)c1 ZINC000824663057 609386711 /nfs/dbraw/zinc/38/67/11/609386711.db2.gz VOEMTMZUNIISGJ-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824663057 609386715 /nfs/dbraw/zinc/38/67/15/609386715.db2.gz VOEMTMZUNIISGJ-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM CC1(C)CC[C@@H](C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824795739 609394575 /nfs/dbraw/zinc/39/45/75/609394575.db2.gz CFCLAGOUKCYGON-SECBINFHSA-N -1 3 303.341 2.771 20 0 DFADHM CC1(C)CC[C@@H](C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824795739 609394577 /nfs/dbraw/zinc/39/45/77/609394577.db2.gz CFCLAGOUKCYGON-SECBINFHSA-N -1 3 303.341 2.771 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824136655 609405550 /nfs/dbraw/zinc/40/55/50/609405550.db2.gz UDKAFNMSPXLULE-UHFFFAOYSA-N -1 3 310.361 2.745 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824136655 609405551 /nfs/dbraw/zinc/40/55/51/609405551.db2.gz UDKAFNMSPXLULE-UHFFFAOYSA-N -1 3 310.361 2.745 20 0 DFADHM O=C(Nc1ccc2ccccc2c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826455731 609407041 /nfs/dbraw/zinc/40/70/41/609407041.db2.gz BJBFYNSIHJCHOU-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1ccc2ccccc2c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826455731 609407043 /nfs/dbraw/zinc/40/70/43/609407043.db2.gz BJBFYNSIHJCHOU-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM Clc1cccc(-c2noc(-c3c[nH]c(-c4nnn[n-]4)c3)n2)c1 ZINC000826353468 609411471 /nfs/dbraw/zinc/41/14/71/609411471.db2.gz QLFYLGMCCVRSIT-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM Clc1cccc(-c2noc(-c3c[nH]c(-c4nn[n-]n4)c3)n2)c1 ZINC000826353468 609411473 /nfs/dbraw/zinc/41/14/73/609411473.db2.gz QLFYLGMCCVRSIT-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM CCc1cc(Sc2ccc(-c3nnn[n-]3)cc2F)nc(C)n1 ZINC000825700465 609436650 /nfs/dbraw/zinc/43/66/50/609436650.db2.gz GMDKAOZHWXYTKN-UHFFFAOYSA-N -1 3 316.365 2.818 20 0 DFADHM CCc1cc(Sc2ccc(-c3nn[n-]n3)cc2F)nc(C)n1 ZINC000825700465 609436651 /nfs/dbraw/zinc/43/66/51/609436651.db2.gz GMDKAOZHWXYTKN-UHFFFAOYSA-N -1 3 316.365 2.818 20 0 DFADHM Cc1ccc(CNc2nc3ccccn3c2-c2nnn[n-]2)cc1F ZINC000826288517 609457567 /nfs/dbraw/zinc/45/75/67/609457567.db2.gz KILCXPANORTLCK-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1ccc(CNc2nc3ccccn3c2-c2nn[n-]n2)cc1F ZINC000826288517 609457568 /nfs/dbraw/zinc/45/75/68/609457568.db2.gz KILCXPANORTLCK-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM COCc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826165384 609476337 /nfs/dbraw/zinc/47/63/37/609476337.db2.gz RYWIMYOXZMODTF-UHFFFAOYSA-N -1 3 313.336 2.764 20 0 DFADHM COCc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826165384 609476339 /nfs/dbraw/zinc/47/63/39/609476339.db2.gz RYWIMYOXZMODTF-UHFFFAOYSA-N -1 3 313.336 2.764 20 0 DFADHM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)cc1F ZINC000826204139 609486286 /nfs/dbraw/zinc/48/62/86/609486286.db2.gz ZHOYEJUZKJEKHI-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)cc1F ZINC000826204139 609486289 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MPRAGSPOSRNHEY-MRVPVSSYSA-N -1 3 304.159 2.741 20 0 DFADHM COC(=O)C1CCC(NC(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000609316180 399313570 /nfs/dbraw/zinc/31/35/70/399313570.db2.gz HFENUBUSUGIRCU-UHFFFAOYSA-N -1 3 319.401 2.977 20 0 DFADHM O=S(=O)([N-][C@H]1CCC[C@H](O)C1)c1cc(Cl)ccc1Cl ZINC000615261847 399319785 /nfs/dbraw/zinc/31/97/85/399319785.db2.gz MNULBBIKVPZAIE-UWVGGRQHSA-N -1 3 324.229 2.575 20 0 DFADHM CCc1cc(C(=O)N2CCO[C@H](C(F)(F)F)[C@@H]2C)ccc1[O-] ZINC000619269696 399323657 /nfs/dbraw/zinc/32/36/57/399323657.db2.gz KZPFCBOXKCLBRY-ZANVPECISA-N -1 3 317.307 2.746 20 0 DFADHM CCc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2cccnc2)c([O-])c1 ZINC000623141357 399328651 /nfs/dbraw/zinc/32/86/51/399328651.db2.gz MWGLRHVBEYHURR-WBVHZDCISA-N -1 3 312.369 2.610 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCC3(CCCC3=O)CC2)c1 ZINC000619329404 399329512 /nfs/dbraw/zinc/32/95/12/399329512.db2.gz JPCJSXGTTVEXFA-UHFFFAOYSA-N -1 3 301.386 2.930 20 0 DFADHM COc1ccc2cc(NC([O-])=NO[C@@H]3CCCCO3)ccc2n1 ZINC000274150720 211386806 /nfs/dbraw/zinc/38/68/06/211386806.db2.gz FWEWOENRFKPNCC-OAHLLOKOSA-N -1 3 317.345 2.823 20 0 DFADHM COc1ccc2cc(NC(=O)[N-]O[C@@H]3CCCCO3)ccc2n1 ZINC000274150720 211386809 /nfs/dbraw/zinc/38/68/09/211386809.db2.gz FWEWOENRFKPNCC-OAHLLOKOSA-N -1 3 317.345 2.823 20 0 DFADHM CS(=O)(=O)c1nc2cc(-c3ccc4c(c3)CCC4)cnc2[n-]1 ZINC000623167801 399332272 /nfs/dbraw/zinc/33/22/72/399332272.db2.gz AHEZLMBOEUASMC-UHFFFAOYSA-N -1 3 313.382 2.517 20 0 DFADHM CS(=O)(=O)c1nc2ncc(-c3ccc4c(c3)CCC4)cc2[n-]1 ZINC000623167801 399332273 /nfs/dbraw/zinc/33/22/73/399332273.db2.gz AHEZLMBOEUASMC-UHFFFAOYSA-N -1 3 313.382 2.517 20 0 DFADHM CS(=O)(=O)c1nc2cc(-c3ccc4c(c3)CCC4)c[n-]c-2n1 ZINC000623167801 399332274 /nfs/dbraw/zinc/33/22/74/399332274.db2.gz AHEZLMBOEUASMC-UHFFFAOYSA-N -1 3 313.382 2.517 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@@H](c2cccs2)C2CC2)c(=O)[n-]1 ZINC000615387633 399333243 /nfs/dbraw/zinc/33/32/43/399333243.db2.gz YOIYTDQVJIXMSN-OAHLLOKOSA-N -1 3 317.414 2.671 20 0 DFADHM COc1c(CNC(=O)/C=C/c2cncc([O-])c2)oc2ccccc21 ZINC000492040578 299499118 /nfs/dbraw/zinc/49/91/18/299499118.db2.gz LBBZUNDLWIBMLZ-VOTSOKGWSA-N -1 3 324.336 2.872 20 0 DFADHM Cc1c(Cl)c(CN[C@H]2CCCCCC[C@@H]2C(=O)[O-])nn1C ZINC000421817198 296276445 /nfs/dbraw/zinc/27/64/45/296276445.db2.gz SHDWMSHGMYGIGM-RYUDHWBXSA-N -1 3 313.829 2.895 20 0 DFADHM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)c1 ZINC000623206889 399337088 /nfs/dbraw/zinc/33/70/88/399337088.db2.gz FMMBEZDLIQRIQR-RNCFNFMXSA-N -1 3 313.357 2.623 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@@H]3C(C)(C)C3(F)F)ccc2[n-]1 ZINC000619392480 399337526 /nfs/dbraw/zinc/33/75/26/399337526.db2.gz ZVBPTJPIWHKJMG-GFCCVEGCSA-N -1 3 323.343 2.983 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@@H]3C(C)(C)C3(F)F)cc2[n-]1 ZINC000619392480 399337529 /nfs/dbraw/zinc/33/75/29/399337529.db2.gz ZVBPTJPIWHKJMG-GFCCVEGCSA-N -1 3 323.343 2.983 20 0 DFADHM CCc1cnc(S(=O)(=O)Cc2nc(Cl)ccc2Cl)[n-]1 ZINC000274053454 211310698 /nfs/dbraw/zinc/31/06/98/211310698.db2.gz GWWSUGVIWKTYBJ-UHFFFAOYSA-N -1 3 320.201 2.648 20 0 DFADHM CCc1c[n-]c(S(=O)(=O)Cc2nc(Cl)ccc2Cl)n1 ZINC000274053454 211310702 /nfs/dbraw/zinc/31/07/02/211310702.db2.gz GWWSUGVIWKTYBJ-UHFFFAOYSA-N -1 3 320.201 2.648 20 0 DFADHM Cc1ncc(CNC(=O)Nc2ccc(F)cc2Cl)c(=O)[n-]1 ZINC000344913833 284705033 /nfs/dbraw/zinc/70/50/33/284705033.db2.gz HUBAOFNTTVWPKY-UHFFFAOYSA-N -1 3 310.716 2.605 20 0 DFADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000344919236 284707414 /nfs/dbraw/zinc/70/74/14/284707414.db2.gz RXBRBSNZIKNJIH-UHFFFAOYSA-N -1 3 317.426 2.865 20 0 DFADHM Cc1ccc(-c2nc([C@@H]3CC(=O)N(C4CC4)C3)no2)c([O-])c1C ZINC000274032289 211289738 /nfs/dbraw/zinc/28/97/38/211289738.db2.gz VWNDUXZJWJIOSM-LLVKDONJSA-N -1 3 313.357 2.537 20 0 DFADHM CC(=O)CN(CC(C)C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000421908394 296280750 /nfs/dbraw/zinc/28/07/50/296280750.db2.gz UFKILKUVFWXZKZ-UHFFFAOYSA-N -1 3 303.402 2.958 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H]1CC12CCSCC2 ZINC000421911336 296280956 /nfs/dbraw/zinc/28/09/56/296280956.db2.gz IVSNLTSDVOMGHW-GFCCVEGCSA-N -1 3 309.406 2.723 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(Cl)cc1 ZINC000610108825 399342516 /nfs/dbraw/zinc/34/25/16/399342516.db2.gz OTDJCLTUALXSFZ-UHFFFAOYSA-N -1 3 307.737 2.801 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(Cl)cc1 ZINC000610108825 399342517 /nfs/dbraw/zinc/34/25/17/399342517.db2.gz OTDJCLTUALXSFZ-UHFFFAOYSA-N -1 3 307.737 2.801 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(C)cs1 ZINC000104759493 194036060 /nfs/dbraw/zinc/03/60/60/194036060.db2.gz BRMZGPHYRJLCIO-VIFPVBQESA-N -1 3 302.446 2.943 20 0 DFADHM CC[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H](CC)O1 ZINC000421959163 296284792 /nfs/dbraw/zinc/28/47/92/296284792.db2.gz SKJSAYGJZVOTIG-BETUJISGSA-N -1 3 314.385 2.558 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)c2cccc(C)c2)[n-]1 ZINC000619448184 399348035 /nfs/dbraw/zinc/34/80/35/399348035.db2.gz GZTQVNOBZOYEML-LLVKDONJSA-N -1 3 301.346 2.637 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@H](C)c2cccc(C)c2)c[n-]1 ZINC000619448184 399348036 /nfs/dbraw/zinc/34/80/36/399348036.db2.gz GZTQVNOBZOYEML-LLVKDONJSA-N -1 3 301.346 2.637 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)CO[C@H]2CCCC[C@H]2CC)[n-]1 ZINC000619449150 399348141 /nfs/dbraw/zinc/34/81/41/399348141.db2.gz UXIKXXLJKKKLPT-NEPJUHHUSA-N -1 3 323.393 2.510 20 0 DFADHM CCOC(=O)c1nc(NC(=O)CO[C@H]2CCCC[C@H]2CC)c[n-]1 ZINC000619449150 399348144 /nfs/dbraw/zinc/34/81/44/399348144.db2.gz UXIKXXLJKKKLPT-NEPJUHHUSA-N -1 3 323.393 2.510 20 0 DFADHM Cc1ccc(C(=O)N2Cc3ccccc3N(C)C(=O)C2)c([O-])c1C ZINC000623272825 399351410 /nfs/dbraw/zinc/35/14/10/399351410.db2.gz CSMLHQGVABMIQO-UHFFFAOYSA-N -1 3 324.380 2.628 20 0 DFADHM Cc1cc(NC([O-])=NOCC(C)(C)O)ccc1C(F)(F)F ZINC000284707317 218142277 /nfs/dbraw/zinc/14/22/77/218142277.db2.gz ZRBNWNVUOGGIDO-UHFFFAOYSA-N -1 3 306.284 2.838 20 0 DFADHM Cc1cc(NC(=O)[N-]OCC(C)(C)O)ccc1C(F)(F)F ZINC000284707317 218142279 /nfs/dbraw/zinc/14/22/79/218142279.db2.gz ZRBNWNVUOGGIDO-UHFFFAOYSA-N -1 3 306.284 2.838 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCC1(O)CCC1 ZINC000421990640 296288373 /nfs/dbraw/zinc/28/83/73/296288373.db2.gz HXGDGAFIXCFRNV-UHFFFAOYSA-N -1 3 309.381 2.665 20 0 DFADHM COc1ccc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)cn1 ZINC000345786829 284750611 /nfs/dbraw/zinc/75/06/11/284750611.db2.gz AGZLBEMHCLPSAR-UHFFFAOYSA-N -1 3 320.312 2.592 20 0 DFADHM C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000284899468 218227134 /nfs/dbraw/zinc/22/71/34/218227134.db2.gz ALAWSQVYCZDWGR-BQFCYCMXSA-N -1 3 303.402 2.938 20 0 DFADHM CC(C)C(=O)Nc1cc(I)ccc1[O-] ZINC000610486382 399372527 /nfs/dbraw/zinc/37/25/27/399372527.db2.gz UQDDEIKQCOSSAP-UHFFFAOYSA-N -1 3 305.115 2.591 20 0 DFADHM CCCCOc1ccc(C(=O)N2C[C@@H](O)CC[C@@H]2C)c([O-])c1 ZINC000422051247 296294401 /nfs/dbraw/zinc/29/44/01/296294401.db2.gz ZQLMYMIIYCYJNV-STQMWFEESA-N -1 3 307.390 2.557 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000615743954 399379865 /nfs/dbraw/zinc/37/98/65/399379865.db2.gz JDYLBUSEORAEFY-BPLDGKMQSA-N -1 3 321.442 2.880 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@@]12CCOC2 ZINC000422060244 296295397 /nfs/dbraw/zinc/29/53/97/296295397.db2.gz DAYZGQQSWMKBAZ-IBGZPJMESA-N -1 3 311.381 2.869 20 0 DFADHM CC[C@H](C)[C@H](NC(C)=O)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000285144639 218307888 /nfs/dbraw/zinc/30/78/88/218307888.db2.gz RBYGYKQKMLYWSQ-XPTSAGLGSA-N -1 3 319.361 2.674 20 0 DFADHM Cc1cc([N-]S(=O)(=O)C[C@H]2CCCO2)c(Cl)cc1F ZINC000285173685 218320056 /nfs/dbraw/zinc/32/00/56/218320056.db2.gz UBJLGLVTHLHKDS-SECBINFHSA-N -1 3 307.774 2.708 20 0 DFADHM CC[C@@H]1C[C@@H](NC(=O)c2c[n-]c3c(C)cccc3c2=O)CCO1 ZINC000422113779 296299370 /nfs/dbraw/zinc/29/93/70/296299370.db2.gz KEXHPPKYSLDBKK-QWHCGFSZSA-N -1 3 314.385 2.524 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2cc3c(c(Cl)c2)OCO3)n1 ZINC000345920502 284794579 /nfs/dbraw/zinc/79/45/79/284794579.db2.gz CIEXKCUBEFSTNR-UHFFFAOYSA-N -1 3 306.705 2.730 20 0 DFADHM Cc1ccc([O-])c(NC(=O)COc2ccc(F)c(Cl)c2)n1 ZINC000345939065 284800929 /nfs/dbraw/zinc/80/09/29/284800929.db2.gz YNMSZUBVUBHOAQ-UHFFFAOYSA-N -1 3 310.712 2.906 20 0 DFADHM Cc1ccc([O-])c(NC(=O)C2=Cc3cc(F)ccc3OC2)n1 ZINC000345939034 284801039 /nfs/dbraw/zinc/80/10/39/284801039.db2.gz YIVBYAGTBCSKDR-UHFFFAOYSA-N -1 3 300.289 2.649 20 0 DFADHM Cc1nnc([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)n1C1CC1 ZINC000285498558 218474548 /nfs/dbraw/zinc/47/45/48/218474548.db2.gz UMRRDVFHHHNYDE-UHFFFAOYSA-N -1 3 314.345 2.594 20 0 DFADHM COC(=O)c1c(C)nc(=O)[n-]c1SCCCOC(C)(C)C ZINC000610681838 399392731 /nfs/dbraw/zinc/39/27/31/399392731.db2.gz AXEFQFYDZAFGTA-UHFFFAOYSA-N -1 3 314.407 2.575 20 0 DFADHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000110095971 194310014 /nfs/dbraw/zinc/31/00/14/194310014.db2.gz LAOWSLLYRRESBI-GFCCVEGCSA-N -1 3 303.811 2.959 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1cn[nH]c1 ZINC000615890762 399395356 /nfs/dbraw/zinc/39/53/56/399395356.db2.gz JNDPTJJSZLGHLA-OAHLLOKOSA-N -1 3 317.364 2.941 20 0 DFADHM CCc1nc([C@@H](C)NC(=O)c2cccc(OC)c2[O-])cs1 ZINC000110506541 194335287 /nfs/dbraw/zinc/33/52/87/194335287.db2.gz YEJIVZDSCMETIF-SECBINFHSA-N -1 3 306.387 2.911 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H]1c1cn[nH]c1 ZINC000615895933 399396792 /nfs/dbraw/zinc/39/67/92/399396792.db2.gz XNDIMSKGOTWLFJ-MRXNPFEDSA-N -1 3 311.385 2.971 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 ZINC000623470049 399396783 /nfs/dbraw/zinc/39/67/83/399396783.db2.gz JDERWRBDSMNFEH-UHFFFAOYSA-N -1 3 312.325 2.538 20 0 DFADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000615962572 399404739 /nfs/dbraw/zinc/40/47/39/399404739.db2.gz DWOCMEUDZZFXKM-JOYOIKCWSA-N -1 3 303.387 2.746 20 0 DFADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H](CO)CC(C)(C)C)c1 ZINC000615969091 399406057 /nfs/dbraw/zinc/40/60/57/399406057.db2.gz ILSJUQGYNSEQOX-LLVKDONJSA-N -1 3 311.447 2.983 20 0 DFADHM CC[C@@H](C)N1CCN(C(=O)c2cc(SC)ccc2[O-])CC1 ZINC000615984052 399408195 /nfs/dbraw/zinc/40/81/95/399408195.db2.gz HMXKDCRUOPKYGP-GFCCVEGCSA-N -1 3 308.447 2.670 20 0 DFADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]C(=O)C(F)(F)C(F)F ZINC000268940518 207106028 /nfs/dbraw/zinc/10/60/28/207106028.db2.gz GSRSWIPGWNNUOE-GMSGAONNSA-N -1 3 311.250 2.654 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000268945967 207110604 /nfs/dbraw/zinc/11/06/04/207110604.db2.gz CQIHOXJOLUHRAN-GFCCVEGCSA-N -1 3 313.394 2.514 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)cc1[O-] ZINC000619922895 399410504 /nfs/dbraw/zinc/41/05/04/399410504.db2.gz FSXISADUVRYAJB-LBPRGKRZSA-N -1 3 317.385 2.769 20 0 DFADHM CC(C)[C@@H](O)[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000619918063 399409414 /nfs/dbraw/zinc/40/94/14/399409414.db2.gz APYYCGAZQHYQHT-IAGOWNOFSA-N -1 3 315.369 2.586 20 0 DFADHM O=C(NC[C@H](O)CCc1ccccc1)c1cc([O-])ccc1Cl ZINC000346520835 284879721 /nfs/dbraw/zinc/87/97/21/284879721.db2.gz WYQWKBORSCHNEI-CQSZACIVSA-N -1 3 319.788 2.769 20 0 DFADHM 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20 0 DFADHM COCCN(Cc1ccc(C)o1)C(=O)c1c(C)cccc1[O-] ZINC000626099563 399752489 /nfs/dbraw/zinc/75/24/89/399752489.db2.gz JKMOWIBZZDPETI-UHFFFAOYSA-N -1 3 303.358 2.891 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000408224330 296463634 /nfs/dbraw/zinc/46/36/34/296463634.db2.gz GTZKDQZALOOIID-OLZOCXBDSA-N -1 3 324.446 2.709 20 0 DFADHM O=C(c1cc(F)c[n-]c1=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000621380358 399777358 /nfs/dbraw/zinc/77/73/58/399777358.db2.gz VATXGUSISTWZDG-UHFFFAOYSA-N -1 3 316.332 2.652 20 0 DFADHM COC[C@H](OC)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000613034198 399780565 /nfs/dbraw/zinc/78/05/65/399780565.db2.gz CITVIWXKBVLYCE-KRWDZBQOSA-N -1 3 315.369 2.583 20 0 DFADHM CC[C@H](C)CS(=O)(=O)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000603501706 399784118 /nfs/dbraw/zinc/78/41/18/399784118.db2.gz QKNVAFWQNLDPNF-LBPRGKRZSA-N -1 3 308.403 2.807 20 0 DFADHM CCc1c(NC(=O)c2ccc3n[n-]nc3c2)cnn1CC(C)C ZINC000157168875 542706335 /nfs/dbraw/zinc/70/63/35/542706335.db2.gz 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/nfs/dbraw/zinc/09/15/65/148091565.db2.gz YKZWJPZMZAUPNB-UHFFFAOYSA-N -1 3 304.396 2.966 20 0 DFADHM CC[C@@H](C)n1ncc(C(=O)NCc2ccc([O-])c(F)c2)c1C ZINC000357723920 148097287 /nfs/dbraw/zinc/09/72/87/148097287.db2.gz BNEYLVPKTHOBFO-SNVBAGLBSA-N -1 3 305.353 2.937 20 0 DFADHM Cc1cn(-c2cccc(NC(=O)c3cccc([O-])c3)c2)c(=O)[nH]1 ZINC000357770514 148114326 /nfs/dbraw/zinc/11/43/26/148114326.db2.gz QXJDUNHYUVANKC-UHFFFAOYSA-N -1 3 309.325 2.844 20 0 DFADHM COc1ccccc1C[C@H](NC(=O)c1csc(=O)[n-]1)C(C)C ZINC000350161669 286013909 /nfs/dbraw/zinc/01/39/09/286013909.db2.gz PAHMFFDEIDOJOW-LBPRGKRZSA-N -1 3 320.414 2.854 20 0 DFADHM O=C(NCc1ccc(F)cc1F)c1c[n-]c2ccccc2c1=O ZINC000350184073 286016899 /nfs/dbraw/zinc/01/68/99/286016899.db2.gz LIPYFNACWCNOBU-UHFFFAOYSA-N -1 3 314.291 2.736 20 0 DFADHM O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1CCc2nc[n-]c(=O)c2C1 ZINC000329210492 304348624 /nfs/dbraw/zinc/34/86/24/304348624.db2.gz ZPBWZLGMZHHIGN-MGPQQGTHSA-N -1 3 315.417 2.673 20 0 DFADHM 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3 316.405 2.715 20 0 DFADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C)o2)c1 ZINC000358429103 148358263 /nfs/dbraw/zinc/35/82/63/148358263.db2.gz QFKDYSKHGZBFSB-NSHDSACASA-N -1 3 309.387 2.506 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ncccc2C)C(C)C)o1 ZINC000358432681 148359221 /nfs/dbraw/zinc/35/92/21/148359221.db2.gz WVKATZULGRZATG-AWEZNQCLSA-N -1 3 308.403 2.967 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)COCc2ccccc2)o1 ZINC000358432012 148359683 /nfs/dbraw/zinc/35/96/83/148359683.db2.gz VTLGXRNDCZXQGM-CYBMUJFWSA-N -1 3 323.414 2.719 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(C)cc2)o1 ZINC000358466874 148368476 /nfs/dbraw/zinc/36/84/76/148368476.db2.gz TZTIUMPGDBDNNW-ZDUSSCGKSA-N -1 3 309.387 2.642 20 0 DFADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cnn2ccncc12 ZINC000350341111 286030028 /nfs/dbraw/zinc/03/00/28/286030028.db2.gz HIYZGQFAVVLELF-UHFFFAOYSA-N -1 3 322.353 2.500 20 0 DFADHM C[C@@H](Cc1cccc(O)c1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000350388777 286033459 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/nfs/dbraw/zinc/07/16/48/426071648.db2.gz BTALNNBBDINEPS-IUCAKERBSA-N -1 3 312.295 2.746 20 0 DFADHM CCc1nc([C@H](C)NC(=O)c2ccc(OC)cc2[O-])cs1 ZINC000110498794 426033739 /nfs/dbraw/zinc/03/37/39/426033739.db2.gz NJURMUZEYAHJAB-VIFPVBQESA-N -1 3 306.387 2.911 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@@H]1C ZINC000111367819 426048138 /nfs/dbraw/zinc/04/81/38/426048138.db2.gz ZVFWWCZBQRPFKR-LKFCYVNXSA-N -1 3 306.387 2.503 20 0 DFADHM O=S(=O)([N-]CCCc1ccccn1)c1ccc(Cl)s1 ZINC000074554060 426054171 /nfs/dbraw/zinc/05/41/71/426054171.db2.gz QLYJTVGJEBWBLU-UHFFFAOYSA-N -1 3 316.835 2.708 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)COC[C@@H]2CCOC2)c([O-])c1 ZINC000337645799 268523162 /nfs/dbraw/zinc/52/31/62/268523162.db2.gz HKZBIDKCLRTZGM-GFCCVEGCSA-N -1 3 307.390 2.681 20 0 DFADHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000074801839 426057480 /nfs/dbraw/zinc/05/74/80/426057480.db2.gz NZWSRPURIZYOHL-UHFFFAOYSA-N -1 3 322.864 2.687 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3CCCSCC3)c[n-]c12 ZINC000162263291 426059301 /nfs/dbraw/zinc/05/93/01/426059301.db2.gz BTDHOIJYWATXOU-UHFFFAOYSA-N -1 3 302.399 2.828 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)CCC3CCC3)[n-]c21 ZINC000162522869 426066986 /nfs/dbraw/zinc/06/69/86/426066986.db2.gz XNNGTDZDHWTBCG-UHFFFAOYSA-N -1 3 301.346 2.868 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)CCC3CCC3)nc21 ZINC000162522869 426066989 /nfs/dbraw/zinc/06/69/89/426066989.db2.gz XNNGTDZDHWTBCG-UHFFFAOYSA-N -1 3 301.346 2.868 20 0 DFADHM CSc1ccc(C(=O)[N-]c2ccccc2SCC(N)=O)o1 ZINC000112230811 426067551 /nfs/dbraw/zinc/06/75/51/426067551.db2.gz AVFAEFNBOXNIRD-UHFFFAOYSA-N -1 3 322.411 2.831 20 0 DFADHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000127493699 426069098 /nfs/dbraw/zinc/06/90/98/426069098.db2.gz QJNPXEFBXUOVBE-ZDUSSCGKSA-N -1 3 304.390 2.758 20 0 DFADHM CCN(C(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000126134623 426006667 /nfs/dbraw/zinc/00/66/67/426006667.db2.gz DXEIXFFAMAVVQL-UHFFFAOYSA-N -1 3 313.195 2.849 20 0 DFADHM Cc1ccc(F)cc1NC(=O)[C@H](C)[S@@](=O)c1ccc([O-])cc1 ZINC000108083227 426009694 /nfs/dbraw/zinc/00/96/94/426009694.db2.gz IUWSNLPJMHOWTE-SAHAZLINSA-N -1 3 321.373 2.975 20 0 DFADHM CCc1cccc(NC(=O)C[S@@](=O)c2ccc([O-])cc2)c1 ZINC000108085890 426009889 /nfs/dbraw/zinc/00/98/89/426009889.db2.gz XYBXCARXQBRLMY-NRFANRHFSA-N -1 3 303.383 2.701 20 0 DFADHM CCN(C(=O)[C@@H](C)[S@@](=O)c1ccc([O-])cc1)c1ccccc1 ZINC000108084693 426010157 /nfs/dbraw/zinc/01/01/57/426010157.db2.gz RXCJCUWAAYNBGN-DMZKTXOQSA-N -1 3 317.410 2.941 20 0 DFADHM O=[S@](Cc1nc(-c2ccsc2)no1)c1ccc([O-])cc1 ZINC000108085493 426010284 /nfs/dbraw/zinc/01/02/84/426010284.db2.gz BCHSHIFYGVMSJN-FQEVSTJZSA-N -1 3 306.368 2.812 20 0 DFADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCS1 ZINC000126236234 426010973 /nfs/dbraw/zinc/01/09/73/426010973.db2.gz KUYKTVFOCLWKEG-SNVBAGLBSA-N -1 3 311.881 2.966 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2ccnn2C(C)C)c([O-])c1 ZINC000126262376 426012236 /nfs/dbraw/zinc/01/22/36/426012236.db2.gz KITAPWACEBBCTL-UHFFFAOYSA-N -1 3 317.345 2.599 20 0 DFADHM CCCO[C@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000108228891 426012992 /nfs/dbraw/zinc/01/29/92/426012992.db2.gz IDZMKHIAEWIJAE-ZDUSSCGKSA-N -1 3 307.390 2.822 20 0 DFADHM CCCCCOc1cc(C)ccc1CNC(=O)c1c[n-]nn1 ZINC000127874152 426090667 /nfs/dbraw/zinc/09/06/67/426090667.db2.gz WABVARTVFGICJA-UHFFFAOYSA-N -1 3 302.378 2.612 20 0 DFADHM CCCCCOc1cc(C)ccc1CNC(=O)c1cnn[n-]1 ZINC000127874152 426090668 /nfs/dbraw/zinc/09/06/68/426090668.db2.gz WABVARTVFGICJA-UHFFFAOYSA-N -1 3 302.378 2.612 20 0 DFADHM CCCCCOc1cc(C)ccc1CNC(=O)c1cn[n-]n1 ZINC000127874152 426090669 /nfs/dbraw/zinc/09/06/69/426090669.db2.gz WABVARTVFGICJA-UHFFFAOYSA-N -1 3 302.378 2.612 20 0 DFADHM Cc1c(C(=O)Nc2ccccc2[O-])cnn1C1CCOCC1 ZINC000163289065 426095370 /nfs/dbraw/zinc/09/53/70/426095370.db2.gz WIGYKYQNOGWJMX-UHFFFAOYSA-N -1 3 301.346 2.501 20 0 DFADHM CNC(=O)c1cccc(CCC(=O)Nc2ccc(C)cc2[O-])c1 ZINC000127999599 426096876 /nfs/dbraw/zinc/09/68/76/426096876.db2.gz FOAHOKMMWWYQPE-UHFFFAOYSA-N -1 3 312.369 2.632 20 0 DFADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000112897098 426096954 /nfs/dbraw/zinc/09/69/54/426096954.db2.gz RTGNHOJCOMJJAH-WDEREUQCSA-N -1 3 304.350 2.599 20 0 DFADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000112897098 426096955 /nfs/dbraw/zinc/09/69/55/426096955.db2.gz RTGNHOJCOMJJAH-WDEREUQCSA-N -1 3 304.350 2.599 20 0 DFADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000112897098 426096957 /nfs/dbraw/zinc/09/69/57/426096957.db2.gz RTGNHOJCOMJJAH-WDEREUQCSA-N -1 3 304.350 2.599 20 0 DFADHM O=C(Nc1cccc([O-])c1F)c1cncc(Br)c1 ZINC000128952771 426138198 /nfs/dbraw/zinc/13/81/98/426138198.db2.gz VDEBCRATLYCBIN-UHFFFAOYSA-N -1 3 311.110 2.941 20 0 DFADHM CSCC[C@@H](C)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163727434 426107935 /nfs/dbraw/zinc/10/79/35/426107935.db2.gz HCRNTDDMFWYGQT-SNVBAGLBSA-N -1 3 300.399 2.814 20 0 DFADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ncccc1[O-] ZINC000113413698 426114561 /nfs/dbraw/zinc/11/45/61/426114561.db2.gz SYOXJPQJMHPMIW-QMMMGPOBSA-N -1 3 310.712 2.986 20 0 DFADHM Cc1ccc([O-])c(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC000128438375 426116756 /nfs/dbraw/zinc/11/67/56/426116756.db2.gz XAOMGESKRNJCOB-CYBMUJFWSA-N -1 3 321.421 2.537 20 0 DFADHM O=C(Nc1ccc2c[nH]nc2c1)c1c[n-]c2ccccc2c1=O ZINC000113730866 426119879 /nfs/dbraw/zinc/11/98/79/426119879.db2.gz CMARHFYIVHRDDR-UHFFFAOYSA-N -1 3 304.309 2.657 20 0 DFADHM O=C(Nc1ccc2c[nH]nc2c1)c1cnc2ccccc2c1[O-] ZINC000113730866 426119881 /nfs/dbraw/zinc/11/98/81/426119881.db2.gz CMARHFYIVHRDDR-UHFFFAOYSA-N -1 3 304.309 2.657 20 0 DFADHM COc1ccc2c(c1)OC[C@H](C(=O)Nc1cccc([O-])c1F)C2 ZINC000128821020 426134901 /nfs/dbraw/zinc/13/49/01/426134901.db2.gz AHLXKGMZUWIWGF-LLVKDONJSA-N -1 3 317.316 2.730 20 0 DFADHM Cc1cccc(-c2cncc(C(=O)[N-]N3CCCCC3=O)c2)c1 ZINC000128863267 426136427 /nfs/dbraw/zinc/13/64/27/426136427.db2.gz OTSAQTFPVNUADI-UHFFFAOYSA-N -1 3 309.369 2.714 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H](C)C[C@@H](O)c2cccs2)c1 ZINC000162733104 426075085 /nfs/dbraw/zinc/07/50/85/426075085.db2.gz CLNMYNRUAYFBHF-IINYFYTJSA-N -1 3 321.398 2.704 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N(C)CCc3ccncc3)c[n-]c12 ZINC000162734879 426075306 /nfs/dbraw/zinc/07/53/06/426075306.db2.gz JQLQKVBVALGOEM-UHFFFAOYSA-N -1 3 321.380 2.959 20 0 DFADHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccncc2[O-])n1 ZINC000162900887 426082589 /nfs/dbraw/zinc/08/25/89/426082589.db2.gz WUHKEIQHJKXNMY-UHFFFAOYSA-N -1 3 315.373 2.931 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)c(C)c1 ZINC000112674382 426085805 /nfs/dbraw/zinc/08/58/05/426085805.db2.gz GBNPULIZPSODOH-UHFFFAOYSA-N -1 3 305.399 2.905 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CSc2nncs2)c1[O-] ZINC000116980268 426203610 /nfs/dbraw/zinc/20/36/10/426203610.db2.gz WAUAEWUBWOULNY-UHFFFAOYSA-N -1 3 315.807 2.936 20 0 DFADHM CC(C)CCC[C@@H](C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000170698052 426145943 /nfs/dbraw/zinc/14/59/43/426145943.db2.gz LHIRCVRVHQPAAU-LLVKDONJSA-N -1 3 317.389 2.907 20 0 DFADHM CC(C)COC[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccco1 ZINC000170746915 426147569 /nfs/dbraw/zinc/14/75/69/426147569.db2.gz NTDPFMODUVZMFF-AWEZNQCLSA-N -1 3 319.357 2.835 20 0 DFADHM Cc1ncsc1CCSc1n[n-]c(-c2ccccn2)n1 ZINC000077938343 426153159 /nfs/dbraw/zinc/15/31/59/426153159.db2.gz KMLLZFZBBDQPCM-UHFFFAOYSA-N -1 3 303.416 2.966 20 0 DFADHM COC(=O)[C@H](C)CSCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000115193958 426156606 /nfs/dbraw/zinc/15/66/06/426156606.db2.gz LJRMPZRTQBNLQK-SECBINFHSA-N -1 3 322.382 2.849 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@@H](c2ccccc2)C2CC2)n[n-]1 ZINC000130436427 426159276 /nfs/dbraw/zinc/15/92/76/426159276.db2.gz GXKMEEJKCPVMPQ-INIZCTEOSA-N -1 3 321.384 2.943 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@@H](c2ccccc2)C2CC2)[n-]n1 ZINC000130436427 426159278 /nfs/dbraw/zinc/15/92/78/426159278.db2.gz GXKMEEJKCPVMPQ-INIZCTEOSA-N -1 3 321.384 2.943 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(c2cccc(F)c2)CC1 ZINC000115323621 426161737 /nfs/dbraw/zinc/16/17/37/426161737.db2.gz DELSWISDLXNFOG-UHFFFAOYSA-N -1 3 323.331 2.676 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(c2cccc(F)c2)CC1 ZINC000115323621 426161739 /nfs/dbraw/zinc/16/17/39/426161739.db2.gz DELSWISDLXNFOG-UHFFFAOYSA-N -1 3 323.331 2.676 20 0 DFADHM COC(=O)C[C@H](NC(=O)c1cccc(C)c1[O-])c1ccccc1 ZINC000078230745 426162062 /nfs/dbraw/zinc/16/20/62/426162062.db2.gz MULDGLYOGWFNTR-HNNXBMFYSA-N -1 3 313.353 2.735 20 0 DFADHM COc1ccc([O-])c(C(=O)N(C)CCOc2ccccc2)c1 ZINC000078239400 426162092 /nfs/dbraw/zinc/16/20/92/426162092.db2.gz LBQGWHSMTFSTPX-UHFFFAOYSA-N -1 3 301.342 2.552 20 0 DFADHM COc1ccc(CN(C)C(=O)c2cccc(OC)c2[O-])cc1 ZINC000078233171 426162205 /nfs/dbraw/zinc/16/22/05/426162205.db2.gz FIFYZDGGQKDOAP-UHFFFAOYSA-N -1 3 301.342 2.682 20 0 DFADHM CC(C)N(C(=O)CSc1n[n-]c(-c2ccccn2)n1)C(C)C ZINC000117116444 426205563 /nfs/dbraw/zinc/20/55/63/426205563.db2.gz ZSBSAUNFOXOKPW-UHFFFAOYSA-N -1 3 319.434 2.604 20 0 DFADHM Cc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000078308627 426165078 /nfs/dbraw/zinc/16/50/78/426165078.db2.gz WRGINFSZQAPIOO-UHFFFAOYSA-N -1 3 310.397 2.659 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000078394189 426168310 /nfs/dbraw/zinc/16/83/10/426168310.db2.gz XZXXSJDCZRONLH-ZDUSSCGKSA-N -1 3 322.368 2.772 20 0 DFADHM Cc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cccs3)C2)cc1 ZINC000115581648 426169052 /nfs/dbraw/zinc/16/90/52/426169052.db2.gz MOCALEAATDLVRY-CYBMUJFWSA-N -1 3 322.455 2.614 20 0 DFADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117112281 426205792 /nfs/dbraw/zinc/20/57/92/426205792.db2.gz QAXWOHAENBJXTN-WDEREUQCSA-N -1 3 319.434 2.652 20 0 DFADHM CN1CC[C@@H](Sc2nnc([N-]c3ccccc3F)s2)C1=O ZINC000115963687 426175974 /nfs/dbraw/zinc/17/59/74/426175974.db2.gz RIYNMRXINHWJFU-SNVBAGLBSA-N -1 3 324.406 2.744 20 0 DFADHM COc1cccc([C@H](C[N-]C(=O)C(F)(F)F)N2CCCC2)c1 ZINC000171234371 426177552 /nfs/dbraw/zinc/17/75/52/426177552.db2.gz HSUKCJQHVQUKST-ZDUSSCGKSA-N -1 3 316.323 2.511 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)c1 ZINC000116056934 426178022 /nfs/dbraw/zinc/17/80/22/426178022.db2.gz KBVLTLDCSMQIRF-KBPBESRZSA-N -1 3 318.417 2.514 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CC(=O)C(C)(C)C)c(Cl)cc1F ZINC000133440790 426178556 /nfs/dbraw/zinc/17/85/56/426178556.db2.gz QFRBTAJFJXRPDV-UHFFFAOYSA-N -1 3 321.801 2.681 20 0 DFADHM CCC[C@@H](C)NC(=O)[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117112277 426206094 /nfs/dbraw/zinc/20/60/94/426206094.db2.gz QAXWOHAENBJXTN-GHMZBOCLSA-N -1 3 319.434 2.652 20 0 DFADHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2)C[C@H](O)CC)n1 ZINC000134511223 426186977 /nfs/dbraw/zinc/18/69/77/426186977.db2.gz MXZOEGIWBCAIAO-MRXNPFEDSA-N -1 3 315.417 2.518 20 0 DFADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000116644671 426194330 /nfs/dbraw/zinc/19/43/30/426194330.db2.gz BNSJKCYAQNDREO-MRXNPFEDSA-N -1 3 324.380 2.578 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C)sc1Br ZINC000081037238 426218724 /nfs/dbraw/zinc/21/87/24/426218724.db2.gz KYNJVIPJHVWXSN-UHFFFAOYSA-N -1 3 312.254 2.896 20 0 DFADHM CCC[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)OCC ZINC000151063788 426275249 /nfs/dbraw/zinc/27/52/49/426275249.db2.gz URPZNHAPPKFBBW-NSHDSACASA-N -1 3 306.391 2.691 20 0 DFADHM Cn1cc(CC(=O)Nc2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000081459986 426223504 /nfs/dbraw/zinc/22/35/04/426223504.db2.gz VQDFWVHWWRVYAD-UHFFFAOYSA-N -1 3 321.380 2.898 20 0 DFADHM O=C(Cc1ccc(O)cc1Cl)NCc1ccc([O-])c(F)c1 ZINC000136295971 426239305 /nfs/dbraw/zinc/23/93/05/426239305.db2.gz YGXWMNMNQICWJG-UHFFFAOYSA-N -1 3 309.724 2.749 20 0 DFADHM CC(C)CC(C)(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000084600469 426240783 /nfs/dbraw/zinc/24/07/83/426240783.db2.gz SDIFNSQVWQUBOB-UHFFFAOYSA-N -1 3 301.394 2.555 20 0 DFADHM CC(C)CC(C)(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000084600469 426240784 /nfs/dbraw/zinc/24/07/84/426240784.db2.gz SDIFNSQVWQUBOB-UHFFFAOYSA-N -1 3 301.394 2.555 20 0 DFADHM CCCc1ncc(C(=O)[N-]c2nc(SC)ns2)s1 ZINC000084629865 426242291 /nfs/dbraw/zinc/24/22/91/426242291.db2.gz JVOBCDPJCDDLIN-UHFFFAOYSA-N -1 3 300.434 2.921 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000137050934 426250368 /nfs/dbraw/zinc/25/03/68/426250368.db2.gz CTZUZRSSCSPEIX-CYBMUJFWSA-N -1 3 319.401 2.895 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)C1 ZINC000119110589 426262631 /nfs/dbraw/zinc/26/26/31/426262631.db2.gz FKTBMNVLUUJIEA-NWDGAFQWSA-N -1 3 310.419 2.823 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)C1 ZINC000119110280 426263296 /nfs/dbraw/zinc/26/32/96/426263296.db2.gz FKTBMNVLUUJIEA-NEPJUHHUSA-N -1 3 310.419 2.823 20 0 DFADHM O=S(=O)([N-]CC1(O)CCCC1)c1cccc(Cl)c1Cl ZINC000087041600 426263575 /nfs/dbraw/zinc/26/35/75/426263575.db2.gz CYRKHNHTUYLYRJ-UHFFFAOYSA-N -1 3 324.229 2.577 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cncc(F)c1)c1cccs1 ZINC000339169889 268773711 /nfs/dbraw/zinc/77/37/11/268773711.db2.gz JRLLLHFZTDNPKI-NSHDSACASA-N -1 3 300.380 2.712 20 0 DFADHM CSc1ncc(Cl)c(C(=O)Nc2cc(F)ccc2[O-])n1 ZINC000174884677 426266817 /nfs/dbraw/zinc/26/68/17/426266817.db2.gz ZVCKMEIZUAGNOK-UHFFFAOYSA-N -1 3 313.741 2.949 20 0 DFADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000080273279 426213649 /nfs/dbraw/zinc/21/36/49/426213649.db2.gz FCQIQYXQJUAVDS-UHFFFAOYSA-N -1 3 317.407 2.622 20 0 DFADHM O=C(c1ccccc1[O-])N1CCN(CCCc2ccccc2)CC1 ZINC000080930568 426217200 /nfs/dbraw/zinc/21/72/00/426217200.db2.gz XIQMTASMRNRJKG-UHFFFAOYSA-N -1 3 324.424 2.783 20 0 DFADHM CCCc1nc(C)c(C(=O)[N-]c2nc3ccc(F)cn3n2)s1 ZINC000080836009 426217463 /nfs/dbraw/zinc/21/74/63/426217463.db2.gz XDJVEZIVSTUIAG-UHFFFAOYSA-N -1 3 319.365 2.838 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2c2nccs2)n1 ZINC000119432978 426289179 /nfs/dbraw/zinc/28/91/79/426289179.db2.gz CFTKUYGLOGPBMP-GFCCVEGCSA-N -1 3 304.419 2.928 20 0 DFADHM CCc1onc(C)c1[N-]C(=O)c1cc(C)nc2onc(C)c21 ZINC000089395541 426289229 /nfs/dbraw/zinc/28/92/29/426289229.db2.gz RFKBWEOLBOVSLI-UHFFFAOYSA-N -1 3 300.318 2.951 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCCN1c1nccs1 ZINC000119472915 426291314 /nfs/dbraw/zinc/29/13/14/426291314.db2.gz UYFMOJZMVAHTRQ-GFCCVEGCSA-N -1 3 307.350 2.595 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000119559304 426297427 /nfs/dbraw/zinc/29/74/27/426297427.db2.gz PSDUDODBILEFBG-ZDUSSCGKSA-N -1 3 324.359 2.802 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c(C)c1)c1ccco1 ZINC000175357997 426299275 /nfs/dbraw/zinc/29/92/75/426299275.db2.gz ZATARWATLGNVDS-AWEZNQCLSA-N -1 3 309.387 2.562 20 0 DFADHM COC[C@@H](NC(=O)c1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000091164720 426339627 /nfs/dbraw/zinc/33/96/27/426339627.db2.gz WVDPYNMTQNFZSB-CQSZACIVSA-N -1 3 307.296 2.788 20 0 DFADHM C[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccccc1F ZINC000119629898 426300766 /nfs/dbraw/zinc/30/07/66/426300766.db2.gz JKIOCJGRZWPMDZ-JTQLQIEISA-N -1 3 313.336 2.692 20 0 DFADHM C[C@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccccc1F ZINC000119629898 426300768 /nfs/dbraw/zinc/30/07/68/426300768.db2.gz JKIOCJGRZWPMDZ-JTQLQIEISA-N -1 3 313.336 2.692 20 0 DFADHM COCCCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151625599 426304960 /nfs/dbraw/zinc/30/49/60/426304960.db2.gz CGFUGCYBAMICBB-UHFFFAOYSA-N -1 3 316.195 2.588 20 0 DFADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000175452080 426306341 /nfs/dbraw/zinc/30/63/41/426306341.db2.gz LCDGIUFVUGMLAV-YOEHRIQHSA-N -1 3 307.390 2.676 20 0 DFADHM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(OC(F)F)cc1 ZINC000091133039 426339908 /nfs/dbraw/zinc/33/99/08/426339908.db2.gz UVDMQTZFKWQBDC-LLVKDONJSA-N -1 3 317.357 2.680 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@H]1C ZINC000120571438 426312232 /nfs/dbraw/zinc/31/22/32/426312232.db2.gz YXCCRDGQXNWVNY-HBNTYKKESA-N -1 3 303.449 2.860 20 0 DFADHM CCc1onc(C)c1[N-]C(=O)c1cccnc1OCC(F)F ZINC000089834387 426312257 /nfs/dbraw/zinc/31/22/57/426312257.db2.gz ROZLOYSFAADHLL-UHFFFAOYSA-N -1 3 311.288 2.837 20 0 DFADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1 ZINC000120654212 426313870 /nfs/dbraw/zinc/31/38/70/426313870.db2.gz IRBPOBLRFQUBAQ-TZMCWYRMSA-N -1 3 313.405 2.945 20 0 DFADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1 ZINC000120654212 426313872 /nfs/dbraw/zinc/31/38/72/426313872.db2.gz IRBPOBLRFQUBAQ-TZMCWYRMSA-N -1 3 313.405 2.945 20 0 DFADHM COC(=O)c1cc([N-]C(=O)c2oc(C)nc2C)c(F)cc1F ZINC000175621676 426318327 /nfs/dbraw/zinc/31/83/27/426318327.db2.gz PZTAIYXZUPDWPS-UHFFFAOYSA-N -1 3 310.256 2.609 20 0 DFADHM CCN(CC)[C@@H](CNC(=O)c1c([O-])cccc1F)c1ccco1 ZINC000121148243 426321576 /nfs/dbraw/zinc/32/15/76/426321576.db2.gz PDYHEUQKTSIRSH-ZDUSSCGKSA-N -1 3 320.364 2.937 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C)CCC2)c1 ZINC000175694651 426321957 /nfs/dbraw/zinc/32/19/57/426321957.db2.gz QVDJQSUAXFUSQP-UHFFFAOYSA-N -1 3 303.811 2.817 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000152096598 426326854 /nfs/dbraw/zinc/32/68/54/426326854.db2.gz OUVUWCHFIUFHBL-CYBMUJFWSA-N -1 3 314.389 2.680 20 0 DFADHM CS(=O)(=O)[N-]c1cc(NC(=O)CCC2CCC2)ccc1F ZINC000175870503 426335338 /nfs/dbraw/zinc/33/53/38/426335338.db2.gz AMGKVDKUFNISAJ-UHFFFAOYSA-N -1 3 314.382 2.716 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCS2)c1 ZINC000152284471 426336764 /nfs/dbraw/zinc/33/67/64/426336764.db2.gz ZELNLPHGAGOFLM-SNVBAGLBSA-N -1 3 321.851 2.523 20 0 DFADHM O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1ccccc1[O-] ZINC000175084578 426278338 /nfs/dbraw/zinc/27/83/38/426278338.db2.gz JYKVINCLNSCMSB-UHFFFAOYSA-N -1 3 310.353 2.922 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)c1 ZINC000151116689 426278798 /nfs/dbraw/zinc/27/87/98/426278798.db2.gz RPNLZIRWCPOYQW-UHFFFAOYSA-N -1 3 310.353 2.581 20 0 DFADHM CC(C)CC[C@@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119378110 426284414 /nfs/dbraw/zinc/28/44/14/426284414.db2.gz MWSGZWVMVNKIQE-LBPRGKRZSA-N -1 3 316.405 2.715 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)Cc2cccc(Cl)c2)n[n-]1 ZINC000119384776 426284438 /nfs/dbraw/zinc/28/44/38/426284438.db2.gz KELDMUPUAZBVTM-UHFFFAOYSA-N -1 3 315.764 2.645 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)Cc2cccc(Cl)c2)[n-]n1 ZINC000119384776 426284441 /nfs/dbraw/zinc/28/44/41/426284441.db2.gz KELDMUPUAZBVTM-UHFFFAOYSA-N -1 3 315.764 2.645 20 0 DFADHM COCC(C)(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000119407983 426286288 /nfs/dbraw/zinc/28/62/88/426286288.db2.gz VLQFNEZEMPPSKG-UHFFFAOYSA-N -1 3 302.168 2.766 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)CCCc2cccs2)n[n-]1 ZINC000119427878 426287784 /nfs/dbraw/zinc/28/77/84/426287784.db2.gz QTTYDXYNRBOSIC-UHFFFAOYSA-N -1 3 315.402 2.833 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)CCCc2cccs2)[n-]n1 ZINC000119427878 426287786 /nfs/dbraw/zinc/28/77/86/426287786.db2.gz QTTYDXYNRBOSIC-UHFFFAOYSA-N -1 3 315.402 2.833 20 0 DFADHM COCc1ccc(C(=O)[N-]c2cc(C(=O)OC)ccc2F)o1 ZINC000122808785 426395892 /nfs/dbraw/zinc/39/58/92/426395892.db2.gz UOINXQLLSKHDSM-UHFFFAOYSA-N -1 3 307.277 2.604 20 0 DFADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c(=O)[n-]1 ZINC000176669235 426403624 /nfs/dbraw/zinc/40/36/24/426403624.db2.gz SHHAWNYKGXSZNK-NHYWBVRUSA-N -1 3 319.449 2.650 20 0 DFADHM O=C(c1ccccc1[O-])N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091761530 426342569 /nfs/dbraw/zinc/34/25/69/426342569.db2.gz OIKBWFJXJMEQMY-XHDPSFHLSA-N -1 3 319.307 2.619 20 0 DFADHM Cc1ccc(C(=O)N(CC(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC000091699963 426342883 /nfs/dbraw/zinc/34/28/83/426342883.db2.gz QHMSGGZBXDTCDB-UHFFFAOYSA-N -1 3 307.390 2.893 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2ccc([S@](C)=O)cc2)c1[O-] ZINC000091681028 426343369 /nfs/dbraw/zinc/34/33/69/426343369.db2.gz WDMREKACIPHFCZ-JOCHJYFZSA-N -1 3 319.382 2.699 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)c([O-])c1 ZINC000091681751 426343756 /nfs/dbraw/zinc/34/37/56/426343756.db2.gz ZEZFRDCFFGRCES-QRQCRPRQSA-N -1 3 317.410 2.550 20 0 DFADHM Cc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1C ZINC000091811158 426344473 /nfs/dbraw/zinc/34/44/73/426344473.db2.gz WYDYHUPBNQTTDS-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1ccc(-n2cccn2)cc1 ZINC000092123612 426347456 /nfs/dbraw/zinc/34/74/56/426347456.db2.gz MFDWHYAQPWGPKH-GFCCVEGCSA-N -1 3 323.352 2.775 20 0 DFADHM Cc1ccc(O[C@@H](C)CNC(=O)c2c([O-])cccc2O)cc1 ZINC000092123259 426347784 /nfs/dbraw/zinc/34/77/84/426347784.db2.gz GRKFKHRUHWBEMA-LBPRGKRZSA-N -1 3 301.342 2.604 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(C)C ZINC000121672802 426351668 /nfs/dbraw/zinc/35/16/68/426351668.db2.gz HXWJJGBMYAQWLL-LBPRGKRZSA-N -1 3 323.817 2.737 20 0 DFADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)C[C@H]2CCCO2)cc1F ZINC000122121749 426360301 /nfs/dbraw/zinc/36/03/01/426360301.db2.gz SRLSVGFTIJMJTI-GHMZBOCLSA-N -1 3 319.373 2.509 20 0 DFADHM O=c1[n-]c(CN2C[C@@H]3CCC[C@H]3C2)nc2c3ccccc3oc21 ZINC000152905974 426360759 /nfs/dbraw/zinc/36/07/59/426360759.db2.gz WXCJMTFQSPXZDR-RYUDHWBXSA-N -1 3 309.369 2.901 20 0 DFADHM CSCCCC[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000122280638 426367478 /nfs/dbraw/zinc/36/74/78/426367478.db2.gz CARXZUOFEYPTSJ-UHFFFAOYSA-N -1 3 309.403 2.695 20 0 DFADHM O=C(CC1CCCCCC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000176317373 426370180 /nfs/dbraw/zinc/37/01/80/426370180.db2.gz KEOPEPHDEYUUNB-UHFFFAOYSA-N -1 3 313.405 2.843 20 0 DFADHM O=C(CC1CCCCCC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000176317373 426370183 /nfs/dbraw/zinc/37/01/83/426370183.db2.gz KEOPEPHDEYUUNB-UHFFFAOYSA-N -1 3 313.405 2.843 20 0 DFADHM CCC1(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])CCC1 ZINC000176332001 426371169 /nfs/dbraw/zinc/37/11/69/426371169.db2.gz NNLUVYFWONXMAQ-UHFFFAOYSA-N -1 3 318.417 2.517 20 0 DFADHM COc1cc(NC([O-])=NOCCC(F)(F)F)cc(OC)c1 ZINC000122435908 426375051 /nfs/dbraw/zinc/37/50/51/426375051.db2.gz HIOBMIZHIWSQCJ-UHFFFAOYSA-N -1 3 308.256 2.709 20 0 DFADHM COc1cc(NC(=O)[N-]OCCC(F)(F)F)cc(OC)c1 ZINC000122435908 426375052 /nfs/dbraw/zinc/37/50/52/426375052.db2.gz HIOBMIZHIWSQCJ-UHFFFAOYSA-N -1 3 308.256 2.709 20 0 DFADHM O=S(=O)([N-]CCCCCc1ccccc1)c1ccccn1 ZINC000340082601 268938119 /nfs/dbraw/zinc/93/81/19/268938119.db2.gz MYILDIFJXZDUGU-UHFFFAOYSA-N -1 3 304.415 2.773 20 0 DFADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000122660509 426387652 /nfs/dbraw/zinc/38/76/52/426387652.db2.gz MJYJNSGOZSWZNE-SECBINFHSA-N -1 3 316.292 2.610 20 0 DFADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000122660509 426387654 /nfs/dbraw/zinc/38/76/54/426387654.db2.gz MJYJNSGOZSWZNE-SECBINFHSA-N -1 3 316.292 2.610 20 0 DFADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000122660509 426387656 /nfs/dbraw/zinc/38/76/56/426387656.db2.gz MJYJNSGOZSWZNE-SECBINFHSA-N -1 3 316.292 2.610 20 0 DFADHM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc([O-])c1 ZINC000176716499 426407672 /nfs/dbraw/zinc/40/76/72/426407672.db2.gz RUUGKLKNSSAYHD-CYBMUJFWSA-N -1 3 322.368 2.806 20 0 DFADHM C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000153871261 426411814 /nfs/dbraw/zinc/41/18/14/426411814.db2.gz OQKDSPKLLRKDMO-MRVPVSSYSA-N -1 3 324.406 2.503 20 0 DFADHM C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000153871261 426411817 /nfs/dbraw/zinc/41/18/17/426411817.db2.gz OQKDSPKLLRKDMO-MRVPVSSYSA-N -1 3 324.406 2.503 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2cccs2)s1 ZINC000176817954 426416859 /nfs/dbraw/zinc/41/68/59/426416859.db2.gz FUVDMGGUJJGXPV-SSDOTTSWSA-N -1 3 302.446 2.861 20 0 DFADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000176982950 426431060 /nfs/dbraw/zinc/43/10/60/426431060.db2.gz XMFGNHFSXLSLFG-QWRGUYRKSA-N -1 3 320.505 2.712 20 0 DFADHM CCNc1ncc(C(=O)[N-]c2nnc(C(C)(C)C)s2)s1 ZINC000177095860 426442830 /nfs/dbraw/zinc/44/28/30/426442830.db2.gz HBGFQUZRCIGOCO-UHFFFAOYSA-N -1 3 311.436 2.976 20 0 DFADHM COCc1cnc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)s1 ZINC000340823541 269016880 /nfs/dbraw/zinc/01/68/80/269016880.db2.gz UYXCAGHZFOWCBG-UHFFFAOYSA-N -1 3 318.358 2.833 20 0 DFADHM COCc1cnc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)s1 ZINC000340823541 269016881 /nfs/dbraw/zinc/01/68/81/269016881.db2.gz UYXCAGHZFOWCBG-UHFFFAOYSA-N -1 3 318.358 2.833 20 0 DFADHM CC[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(OC)c(OC)c1 ZINC000341435398 269076644 /nfs/dbraw/zinc/07/66/44/269076644.db2.gz RVOSMECZRBLQCA-JTQLQIEISA-N -1 3 322.386 2.747 20 0 DFADHM CCOc1ccccc1CNC(=O)c1cccc(OC)c1[O-] ZINC000097129925 426452249 /nfs/dbraw/zinc/45/22/49/426452249.db2.gz BNFQQCYCDJZZMT-UHFFFAOYSA-N -1 3 301.342 2.730 20 0 DFADHM Cn1c(=O)oc2c1cccc2C(=O)Nc1cc(Cl)ccc1[O-] ZINC000123974544 426464393 /nfs/dbraw/zinc/46/43/93/426464393.db2.gz LSZAPLCFRYKNTK-UHFFFAOYSA-N -1 3 318.716 2.743 20 0 DFADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H](O)C1 ZINC000177391406 426474938 /nfs/dbraw/zinc/47/49/38/426474938.db2.gz JSPPZPIKGOVFCR-CYBMUJFWSA-N -1 3 313.353 2.781 20 0 DFADHM C[C@@H](CC(=O)Nc1ccc([O-])cc1F)NC(=O)c1ccccc1 ZINC000124288897 426479024 /nfs/dbraw/zinc/47/90/24/426479024.db2.gz MHOVLSQIHDSZHZ-NSHDSACASA-N -1 3 316.332 2.678 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)c1ccccc1C ZINC000101578688 426485195 /nfs/dbraw/zinc/48/51/95/426485195.db2.gz YUVKGLYDTYILLD-UHFFFAOYSA-N -1 3 322.430 2.856 20 0 DFADHM Cc1cccc(-n2cc(C(=O)Nc3ccc(C)cc3[O-])nn2)c1 ZINC000101630226 426485647 /nfs/dbraw/zinc/48/56/47/426485647.db2.gz GRRWBDCFCIOQGX-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)s1 ZINC000186340302 426509093 /nfs/dbraw/zinc/50/90/93/426509093.db2.gz UUKAQMVSSGCJID-UHFFFAOYSA-N -1 3 322.455 2.814 20 0 DFADHM Cc1cc(C(=O)N2CCO[C@H](c3cccs3)C2)ccc1[O-] ZINC000272371811 426509098 /nfs/dbraw/zinc/50/90/98/426509098.db2.gz DMSXLBGWSOBCQQ-AWEZNQCLSA-N -1 3 303.383 2.976 20 0 DFADHM C[C@H](CCOCc1ccccc1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000288129945 426510286 /nfs/dbraw/zinc/51/02/86/426510286.db2.gz IMAJLODEDBHETR-CYBMUJFWSA-N -1 3 324.384 2.683 20 0 DFADHM CSc1nnc(NC(=O)CCSc2ccccc2F)[n-]1 ZINC000264208055 426516471 /nfs/dbraw/zinc/51/64/71/426516471.db2.gz QZLYSVDTEKVVIB-UHFFFAOYSA-N -1 3 312.395 2.787 20 0 DFADHM CSc1n[n-]c(NC(=O)CCSc2ccccc2F)n1 ZINC000264208055 426516474 /nfs/dbraw/zinc/51/64/74/426516474.db2.gz QZLYSVDTEKVVIB-UHFFFAOYSA-N -1 3 312.395 2.787 20 0 DFADHM CSc1nc(NC(=O)CCSc2ccccc2F)n[n-]1 ZINC000264208055 426516477 /nfs/dbraw/zinc/51/64/77/426516477.db2.gz QZLYSVDTEKVVIB-UHFFFAOYSA-N -1 3 312.395 2.787 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@@H](c3cccc(F)c3)C2)on1 ZINC000264226545 426520145 /nfs/dbraw/zinc/52/01/45/426520145.db2.gz XDBAHDBOLKZJDE-TZMCWYRMSA-N -1 3 317.364 2.939 20 0 DFADHM CC(C)(C)CC[C@H]1NC(=O)N(Cc2ccc([O-])c(F)c2)C1=O ZINC000280210291 426522473 /nfs/dbraw/zinc/52/24/73/426522473.db2.gz UBTGJINKCIJQDU-GFCCVEGCSA-N -1 3 308.353 2.778 20 0 DFADHM CC(C)c1cc(C(=O)N[C@@H]2CCC(=O)NC2)c([O-])c(C(C)C)c1 ZINC000264233578 426523551 /nfs/dbraw/zinc/52/35/51/426523551.db2.gz MYDPFCQNCSHHHU-CYBMUJFWSA-N -1 3 318.417 2.647 20 0 DFADHM C[C@H](c1nccs1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186422389 426525469 /nfs/dbraw/zinc/52/54/69/426525469.db2.gz RRHVVQWAVBMGBM-GFCCVEGCSA-N -1 3 321.421 2.867 20 0 DFADHM COc1ccc([O-])c(C(=O)NCCOc2ccccc2C)c1 ZINC000195533952 426536472 /nfs/dbraw/zinc/53/64/72/426536472.db2.gz 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322.333 2.713 20 0 DFADHM C[C@@]1(O)CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000280494179 426586851 /nfs/dbraw/zinc/58/68/51/426586851.db2.gz HILGXYNDIMXBOH-GOSISDBHSA-N -1 3 303.402 2.648 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCSC3(CCOCC3)C2)c1 ZINC000186851992 426601384 /nfs/dbraw/zinc/60/13/84/426601384.db2.gz YSUKZOPDLVLNRA-UHFFFAOYSA-N -1 3 321.442 2.693 20 0 DFADHM COCc1cccc(CC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000186893662 426603991 /nfs/dbraw/zinc/60/39/91/426603991.db2.gz FSCIQSYESRUINO-UHFFFAOYSA-N -1 3 303.333 2.537 20 0 DFADHM CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000178327132 426605813 /nfs/dbraw/zinc/60/58/13/426605813.db2.gz GUJLUVVUZKPOAR-CYBMUJFWSA-N -1 3 308.353 2.651 20 0 DFADHM CC(C)[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178345686 426610316 /nfs/dbraw/zinc/61/03/16/426610316.db2.gz HPHAIUIWACZIAE-ZDUSSCGKSA-N -1 3 318.417 2.861 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186943285 426612253 /nfs/dbraw/zinc/61/22/53/426612253.db2.gz BKUZRIHRBAUQNO-LJQANCHMSA-N -1 3 309.365 2.972 20 0 DFADHM O=[S@@](Cc1nc(-c2ccccc2F)no1)c1cccc([O-])c1 ZINC000186951763 426613954 /nfs/dbraw/zinc/61/39/54/426613954.db2.gz JWNJOWRALJRHOX-QFIPXVFZSA-N -1 3 318.329 2.889 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)[C@H](c1ccccc1)N(C)C ZINC000186583858 426556534 /nfs/dbraw/zinc/55/65/34/426556534.db2.gz HGHULROODZNAJP-IUODEOHRSA-N -1 3 324.471 2.718 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)c1F ZINC000273268272 426632302 /nfs/dbraw/zinc/63/23/02/426632302.db2.gz WPXSMWLXEATOKZ-CHWSQXEVSA-N -1 3 315.410 2.616 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)C3CCCC3)c[n-]c12 ZINC000178453911 426632920 /nfs/dbraw/zinc/63/29/20/426632920.db2.gz IPRBAJOSQPOIDX-UHFFFAOYSA-N -1 3 302.349 2.990 20 0 DFADHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000228614890 426633789 /nfs/dbraw/zinc/63/37/89/426633789.db2.gz CEKSKYZAPLBDMV-SNVBAGLBSA-N -1 3 323.817 2.556 20 0 DFADHM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000265438640 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CCOc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1OC ZINC000289437143 426656968 /nfs/dbraw/zinc/65/69/68/426656968.db2.gz FMMWNJRNDFZJSQ-QPJJXVBHSA-N -1 3 300.742 2.900 20 0 DFADHM CC1=CCCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000280910825 426684068 /nfs/dbraw/zinc/68/40/68/426684068.db2.gz SDVMBXZRLCBJFE-UHFFFAOYSA-N -1 3 321.384 2.673 20 0 DFADHM CCSc1cc(CNC(=O)/C=C/c2cncc([O-])c2)ccn1 ZINC000187040033 426622715 /nfs/dbraw/zinc/62/27/15/426622715.db2.gz NVDGOYNQOKPYLZ-ONEGZZNKSA-N -1 3 315.398 2.624 20 0 DFADHM COC(=O)c1ccccc1CC[S@](=O)c1cccc([O-])c1 ZINC000187080885 426626365 /nfs/dbraw/zinc/62/63/65/426626365.db2.gz VKFIFWMBQKZWGC-NRFANRHFSA-N -1 3 304.367 2.529 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CC[C@H](C(=O)[O-])C1 ZINC000178900207 426715804 /nfs/dbraw/zinc/71/58/04/426715804.db2.gz FMWQGKMNFJQPGT-STQMWFEESA-N -1 3 318.417 2.718 20 0 DFADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000178921264 426720238 /nfs/dbraw/zinc/72/02/38/426720238.db2.gz LNEUEPZEMGOBPQ-GFCCVEGCSA-N -1 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/nfs/dbraw/zinc/32/77/18/427327718.db2.gz WDAVBBKZFOPVGQ-ZDUSSCGKSA-N -1 3 324.359 2.802 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@@H](Cc2ccccc2)C1 ZINC000277807732 427327723 /nfs/dbraw/zinc/32/77/23/427327723.db2.gz WDAVBBKZFOPVGQ-ZDUSSCGKSA-N -1 3 324.359 2.802 20 0 DFADHM COc1cccc([C@H](O)CNCc2cccc([O-])c2Cl)c1 ZINC000293449280 427328441 /nfs/dbraw/zinc/32/84/41/427328441.db2.gz CKHUGXWCPWMPHI-OAHLLOKOSA-N -1 3 307.777 2.877 20 0 DFADHM CCc1ccc(C(=O)N2CCC3(CCOCC3)CC2)c([O-])c1 ZINC000285772371 427333979 /nfs/dbraw/zinc/33/39/79/427333979.db2.gz SEDLPVYFBRFWAC-UHFFFAOYSA-N -1 3 303.402 2.987 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2ccc(F)cc2NC2CC2)[n-]1 ZINC000293528885 427353274 /nfs/dbraw/zinc/35/32/74/427353274.db2.gz YMMWJJZQGSBRDF-UHFFFAOYSA-N -1 3 317.320 2.767 20 0 DFADHM Cc1cc(Cl)nc(C[N-]C(=O)C(F)(F)C2(O)CCCC2)c1 ZINC000285805818 427342974 /nfs/dbraw/zinc/34/29/74/427342974.db2.gz DOOCOCXBSRJOCA-UHFFFAOYSA-N -1 3 318.751 2.600 20 0 DFADHM COc1cccc([C@H](O)CNCc2c(F)ccc([O-])c2F)c1 ZINC000293494256 427343136 /nfs/dbraw/zinc/34/31/36/427343136.db2.gz AXZQLTQQVUWPQP-OAHLLOKOSA-N -1 3 309.312 2.502 20 0 DFADHM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(OC)cc2[O-])[nH]1 ZINC000277894264 427351038 /nfs/dbraw/zinc/35/10/38/427351038.db2.gz PYRYSTWXRBPDJX-VHSXEESVSA-N -1 3 318.377 2.523 20 0 DFADHM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(OC)cc2[O-])n[nH]1 ZINC000277894264 427351043 /nfs/dbraw/zinc/35/10/43/427351043.db2.gz PYRYSTWXRBPDJX-VHSXEESVSA-N -1 3 318.377 2.523 20 0 DFADHM CC1(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCCC1 ZINC000330671954 427287834 /nfs/dbraw/zinc/28/78/34/427287834.db2.gz NPBRNBRTZFPPLD-UHFFFAOYSA-N -1 3 322.352 2.959 20 0 DFADHM O=C(/C=C\c1c(Cl)nc2sccn12)Nc1ncccc1[O-] ZINC000255711001 427290848 /nfs/dbraw/zinc/29/08/48/427290848.db2.gz GAIXEOALSBPGTA-ARJAWSKDSA-N -1 3 320.761 2.802 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N[C@H](c3ncc[nH]3)C(C)C)c[n-]c12 ZINC000338885221 271616199 /nfs/dbraw/zinc/61/61/99/271616199.db2.gz VDOAARCILRVJFH-AWEZNQCLSA-N -1 3 324.384 2.687 20 0 DFADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(OC)c(C)cc1C ZINC000296984623 427295727 /nfs/dbraw/zinc/29/57/27/427295727.db2.gz FAKZNSNZZOPTMA-UHFFFAOYSA-N -1 3 324.377 2.707 20 0 DFADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(OC)c(C)cc1C ZINC000296984623 427295733 /nfs/dbraw/zinc/29/57/33/427295733.db2.gz FAKZNSNZZOPTMA-UHFFFAOYSA-N -1 3 324.377 2.707 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cccc(-n3cccn3)c2)n1 ZINC000183572685 427296696 /nfs/dbraw/zinc/29/66/96/427296696.db2.gz CXFQQMCJMNAFLN-CYBMUJFWSA-N -1 3 323.400 2.781 20 0 DFADHM CCSCC[C@H](C)N(C)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000277721179 427297034 /nfs/dbraw/zinc/29/70/34/427297034.db2.gz PNXIELPTVXTXNY-VIFPVBQESA-N -1 3 310.398 2.701 20 0 DFADHM CCSCC[C@H](C)N(C)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000277721179 427297039 /nfs/dbraw/zinc/29/70/39/427297039.db2.gz PNXIELPTVXTXNY-VIFPVBQESA-N -1 3 310.398 2.701 20 0 DFADHM CCSCC[C@H](C)N(C)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000277721179 427297047 /nfs/dbraw/zinc/29/70/47/427297047.db2.gz PNXIELPTVXTXNY-VIFPVBQESA-N -1 3 310.398 2.701 20 0 DFADHM C[C@H](NCc1cccc([O-])c1Cl)C(=O)N1CCCC[C@H]1C ZINC000293588808 427374070 /nfs/dbraw/zinc/37/40/70/427374070.db2.gz ODRLJNSBKFQSPF-NEPJUHHUSA-N -1 3 310.825 2.925 20 0 DFADHM CCO[N-]C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl ZINC000184006937 427374536 /nfs/dbraw/zinc/37/45/36/427374536.db2.gz DKNGEQFRFUNBMI-UHFFFAOYSA-N -1 3 313.785 2.893 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@]2(CO)CC(C)C)c([O-])c1 ZINC000331247133 427379838 /nfs/dbraw/zinc/37/98/38/427379838.db2.gz SVXYPYCRJFYSCT-SFHVURJKSA-N -1 3 305.418 2.968 20 0 DFADHM CC(C)OCCCN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331248014 427380918 /nfs/dbraw/zinc/38/09/18/427380918.db2.gz WMECYDIQPRNDQY-UHFFFAOYSA-N -1 3 321.417 2.993 20 0 DFADHM CCOc1ccc(OCC[S@](=O)c2cccc([O-])c2)cc1 ZINC000184068494 427384337 /nfs/dbraw/zinc/38/43/37/427384337.db2.gz BVGZHFWHXGMPGL-NRFANRHFSA-N -1 3 306.383 2.978 20 0 DFADHM CCc1ccccc1[C@H]1C[C@H]1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000338570042 427385842 /nfs/dbraw/zinc/38/58/42/427385842.db2.gz BXHILFFMAXDLLT-CHWSQXEVSA-N -1 3 313.357 2.501 20 0 DFADHM CC(C)C[C@H](CNCc1cnc([C@@H]2CCCO2)s1)C(=O)[O-] ZINC000263010925 427395239 /nfs/dbraw/zinc/39/52/39/427395239.db2.gz BRCOMPRDPRKNEF-YPMHNXCESA-N -1 3 312.435 2.831 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCC(CCC(N)=O)CC2)c([O-])c1 ZINC000271070699 427395381 /nfs/dbraw/zinc/39/53/81/427395381.db2.gz MYUNPEFBTAYPGM-UHFFFAOYSA-N -1 3 318.417 2.633 20 0 DFADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)cc3c2OCC3)C1 ZINC000263036924 427398560 /nfs/dbraw/zinc/39/85/60/427398560.db2.gz IDKUIAGATFYGFR-ZWNOBZJWSA-N -1 3 309.793 2.818 20 0 DFADHM CCOc1cc(-c2noc([C@H](C)CC(=O)OC)n2)ccc1[O-] ZINC000278076026 427399914 /nfs/dbraw/zinc/39/99/14/427399914.db2.gz NHVDSFSIMSAYJY-SECBINFHSA-N -1 3 306.318 2.508 20 0 DFADHM Cc1ccc([O-])c(CN2CCN(CCc3cccs3)CC2)n1 ZINC000271089275 427402433 /nfs/dbraw/zinc/40/24/33/427402433.db2.gz VKDVRMBQJUQTSJ-UHFFFAOYSA-N -1 3 317.458 2.517 20 0 DFADHM Cc1nn(-c2ccccc2)cc1CN1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263059903 427403977 /nfs/dbraw/zinc/40/39/77/427403977.db2.gz MOBAUIYJKOIMRS-DZGCQCFKSA-N -1 3 313.401 2.723 20 0 DFADHM Cc1ccc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000271095202 427404274 /nfs/dbraw/zinc/40/42/74/427404274.db2.gz IYDJLSBWPNAKST-LBPRGKRZSA-N -1 3 323.393 2.961 20 0 DFADHM Cc1ccc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000271095202 427404281 /nfs/dbraw/zinc/40/42/81/427404281.db2.gz IYDJLSBWPNAKST-LBPRGKRZSA-N -1 3 323.393 2.961 20 0 DFADHM Cc1nn(-c2ccccc2)cc1CN1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263059907 427405156 /nfs/dbraw/zinc/40/51/56/427405156.db2.gz MOBAUIYJKOIMRS-UKRRQHHQSA-N -1 3 313.401 2.723 20 0 DFADHM CCCCN(C(=O)C(=O)[N-]c1cnns1)[C@H]1CCC[C@@H](C)C1 ZINC000293690192 427408601 /nfs/dbraw/zinc/40/86/01/427408601.db2.gz XNQAXTABVHJUDP-NEPJUHHUSA-N -1 3 324.450 2.684 20 0 DFADHM CSc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278111053 427408953 /nfs/dbraw/zinc/40/89/53/427408953.db2.gz PVVDYNAYVRMSPZ-VIFPVBQESA-N -1 3 304.293 2.786 20 0 DFADHM COc1cccc(/C=C\C(=O)[N-]OCC2CC2)c1OC(F)F ZINC000293707333 427410644 /nfs/dbraw/zinc/41/06/44/427410644.db2.gz FCEQFBLXXQMLOM-FPLPWBNLSA-N -1 3 313.300 2.768 20 0 DFADHM CC(C)C[C@H](CNCc1ncc(Br)s1)C(=O)[O-] ZINC000263093310 427412213 /nfs/dbraw/zinc/41/22/13/427412213.db2.gz USWDZOXERLKENJ-MRVPVSSYSA-N -1 3 321.240 2.742 20 0 DFADHM COc1ccc(COCCNCc2c(F)ccc([O-])c2F)cc1 ZINC000293715894 427412431 /nfs/dbraw/zinc/41/24/31/427412431.db2.gz VCJIINFIWISTLG-UHFFFAOYSA-N -1 3 323.339 2.985 20 0 DFADHM CCOc1cc(-c2noc(C3(CCOC)CC3)n2)ccc1[O-] ZINC000278135728 427415640 /nfs/dbraw/zinc/41/56/40/427415640.db2.gz SLWKHLAGUQQAQU-UHFFFAOYSA-N -1 3 304.346 2.909 20 0 DFADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]CCCC(C)(F)F ZINC000297187297 427354183 /nfs/dbraw/zinc/35/41/83/427354183.db2.gz UBZYPYAORKWVLB-UHFFFAOYSA-N -1 3 312.769 2.757 20 0 DFADHM CC(C)[C@H]1N(C(=O)c2cc(F)cc3[n-]nnc32)CC12CCC2 ZINC000293725357 427417991 /nfs/dbraw/zinc/41/79/91/427417991.db2.gz TVBSEQQKBUKOOR-CQSZACIVSA-N -1 3 302.353 2.748 20 0 DFADHM CC(C)[C@H]1N(C(=O)c2cc(F)cc3nn[n-]c32)CC12CCC2 ZINC000293725357 427417996 /nfs/dbraw/zinc/41/79/96/427417996.db2.gz TVBSEQQKBUKOOR-CQSZACIVSA-N -1 3 302.353 2.748 20 0 DFADHM CC(C)[C@H]1N(C(=O)c2cc(F)cc3n[n-]nc32)CC12CCC2 ZINC000293725357 427418004 /nfs/dbraw/zinc/41/80/04/427418004.db2.gz TVBSEQQKBUKOOR-CQSZACIVSA-N -1 3 302.353 2.748 20 0 DFADHM Cc1cc2c([n-]c(CC(=O)c3cc(Cl)ccn3)nc2=O)s1 ZINC000183956100 427364463 /nfs/dbraw/zinc/36/44/63/427364463.db2.gz VDZWARHQLUNXDC-UHFFFAOYSA-N -1 3 319.773 2.767 20 0 DFADHM CCN(CCCO)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000297646818 427419828 /nfs/dbraw/zinc/41/98/28/427419828.db2.gz YEXIYAKCFCBHSX-UHFFFAOYSA-N -1 3 301.386 2.709 20 0 DFADHM [O-]c1ccc(F)c(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)c1F ZINC000293819901 427448637 /nfs/dbraw/zinc/44/86/37/427448637.db2.gz FSOJJGKWBPUZKL-RDTXWAMCSA-N -1 3 319.351 2.926 20 0 DFADHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H]2C[C@H]2C2CC2)[n-]1 ZINC000191965226 427452913 /nfs/dbraw/zinc/45/29/13/427452913.db2.gz VBMRIRSVJOTTGI-NWDGAFQWSA-N -1 3 319.405 2.914 20 0 DFADHM CCCCc1nc(NC(=O)[C@@H]2C[C@H]2C2CC2)c(C(=O)OCC)[n-]1 ZINC000191965226 427452918 /nfs/dbraw/zinc/45/29/18/427452918.db2.gz VBMRIRSVJOTTGI-NWDGAFQWSA-N -1 3 319.405 2.914 20 0 DFADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)NCCCC2CCCCC2)C1 ZINC000263304761 427456339 /nfs/dbraw/zinc/45/63/39/427456339.db2.gz HCHBSGFWCFRRFC-GDBMZVCRSA-N -1 3 324.465 2.506 20 0 DFADHM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)NCCCC2CCCCC2)C1 ZINC000263304763 427456603 /nfs/dbraw/zinc/45/66/03/427456603.db2.gz HCHBSGFWCFRRFC-HOCLYGCPSA-N -1 3 324.465 2.506 20 0 DFADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)NCCCC2CCCCC2)C1 ZINC000263304764 427456834 /nfs/dbraw/zinc/45/68/34/427456834.db2.gz HCHBSGFWCFRRFC-ZBFHGGJFSA-N -1 3 324.465 2.506 20 0 DFADHM CCC[C@@H]1CN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)CCO1 ZINC000278823298 427466056 /nfs/dbraw/zinc/46/60/56/427466056.db2.gz RGRMJBOUCCIVGU-CYBMUJFWSA-N -1 3 314.385 2.890 20 0 DFADHM CCOc1cc2c(cc1NC([O-])=NOC[C@H](C)CC)OCCO2 ZINC000297858941 427469780 /nfs/dbraw/zinc/46/97/80/427469780.db2.gz PFNPRJFVPBGDAG-LLVKDONJSA-N -1 3 324.377 2.956 20 0 DFADHM CCOc1cc2c(cc1NC(=O)[N-]OC[C@H](C)CC)OCCO2 ZINC000297858941 427469784 /nfs/dbraw/zinc/46/97/84/427469784.db2.gz PFNPRJFVPBGDAG-LLVKDONJSA-N -1 3 324.377 2.956 20 0 DFADHM CN(C[C@H]1CCCC[C@H]1O)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184483986 427472092 /nfs/dbraw/zinc/47/20/92/427472092.db2.gz NWGMUYLLPGOGRW-RHSMWYFYSA-N -1 3 317.429 2.894 20 0 DFADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCO1 ZINC000271268125 427472479 /nfs/dbraw/zinc/47/24/79/427472479.db2.gz MXHWHJDETISXHA-ZJUUUORDSA-N -1 3 321.801 2.573 20 0 DFADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)[N-]OCC1CC1 ZINC000293884101 427476821 /nfs/dbraw/zinc/47/68/21/427476821.db2.gz XYFCRGJWFLVXHM-UHFFFAOYSA-N -1 3 321.764 2.780 20 0 DFADHM 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3 318.417 2.935 20 0 DFADHM O=C(CCOCC1CC1)Nc1cc(Br)ccc1[O-] ZINC000340311674 427983019 /nfs/dbraw/zinc/98/30/19/427983019.db2.gz ANCUOBHCYXBMFH-UHFFFAOYSA-N -1 3 314.179 2.910 20 0 DFADHM CCc1nnc(CNC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000359713732 427984117 /nfs/dbraw/zinc/98/41/17/427984117.db2.gz KRYDKOZXNHTJTN-UHFFFAOYSA-N -1 3 323.393 2.584 20 0 DFADHM O=C(CCn1cc(Cl)cn1)Nc1ccc(Cl)cc1[O-] ZINC000340326739 427988175 /nfs/dbraw/zinc/98/81/75/427988175.db2.gz BFLFKMJLSHXDJI-UHFFFAOYSA-N -1 3 300.145 2.924 20 0 DFADHM [O-]c1cncc(/C=C/c2nc(-c3cnc4ccccn43)no2)c1 ZINC000350892815 427988967 /nfs/dbraw/zinc/98/89/67/427988967.db2.gz WQJOEKKSVJBBBB-SNAWJCMRSA-N -1 3 305.297 2.655 20 0 DFADHM CN(Cc1ccc(F)cc1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000337496183 427930752 /nfs/dbraw/zinc/93/07/52/427930752.db2.gz FQBRUHZWSVRREN-UHFFFAOYSA-N -1 3 302.284 2.508 20 0 DFADHM CN(Cc1ccc(F)cc1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000337496183 427930754 /nfs/dbraw/zinc/93/07/54/427930754.db2.gz FQBRUHZWSVRREN-UHFFFAOYSA-N -1 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316.741 2.689 20 0 DFADHM Cc1ccc([O-])c(NC(=O)CSc2nc3ccccc3o2)n1 ZINC000345925566 427954154 /nfs/dbraw/zinc/95/41/54/427954154.db2.gz KDNRMQPSNDZPKC-UHFFFAOYSA-N -1 3 315.354 2.968 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c1Cl ZINC000359807514 428026302 /nfs/dbraw/zinc/02/63/02/428026302.db2.gz RHMAGVABYQBECA-UHFFFAOYSA-N -1 3 309.765 2.972 20 0 DFADHM COCc1nc(C(=O)[N-]c2cc(-c3ccccc3)on2)cs1 ZINC000359820442 428031436 /nfs/dbraw/zinc/03/14/36/428031436.db2.gz KEDSSMVBQYAGOU-UHFFFAOYSA-N -1 3 315.354 3.197 20 0 DFADHM C[C@H]1CCC[C@]1(O)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000359819401 428031489 /nfs/dbraw/zinc/03/14/89/428031489.db2.gz KWZRVRXWITYMLM-SJCJKPOMSA-N -1 3 309.381 2.521 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3nc4cccnc4n3C)n[n-]2)o1 ZINC000356124097 428033407 /nfs/dbraw/zinc/03/34/07/428033407.db2.gz UPAMDUXVRURBLE-UHFFFAOYSA-N -1 3 322.328 2.512 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3nc4cccnc4n3C)[n-]n2)o1 ZINC000356124097 428033411 /nfs/dbraw/zinc/03/34/11/428033411.db2.gz 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COc1nc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)n[n-]1 ZINC000352648390 428182646 /nfs/dbraw/zinc/18/26/46/428182646.db2.gz SMOODCMTJJULRJ-UHFFFAOYSA-N -1 3 307.313 2.700 20 0 DFADHM COc1n[n-]c(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)n1 ZINC000352648390 428182649 /nfs/dbraw/zinc/18/26/49/428182649.db2.gz SMOODCMTJJULRJ-UHFFFAOYSA-N -1 3 307.313 2.700 20 0 DFADHM Cn1ccnc1[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000341701773 428160692 /nfs/dbraw/zinc/16/06/92/428160692.db2.gz BDKRPHOPLYKQEM-OAHLLOKOSA-N -1 3 319.792 2.589 20 0 DFADHM CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)OC ZINC000352592521 428161788 /nfs/dbraw/zinc/16/17/88/428161788.db2.gz FYPOICZUOMPVLJ-JTQLQIEISA-N -1 3 312.218 2.697 20 0 DFADHM C[C@@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)C[C@@H](C)S1=O ZINC000356411185 428166598 /nfs/dbraw/zinc/16/65/98/428166598.db2.gz XNYNDPYUMDTWOJ-NXEZZACHSA-N -1 3 321.364 2.752 20 0 DFADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(C)(C)O ZINC000360107113 428166615 /nfs/dbraw/zinc/16/66/15/428166615.db2.gz 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C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000357334962 428489044 /nfs/dbraw/zinc/48/90/44/428489044.db2.gz IYKIUUKPJGNUFD-GWCFXTLKSA-N -1 3 311.341 2.634 20 0 DFADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1cc(F)cc(F)c1 ZINC000357347662 428493729 /nfs/dbraw/zinc/49/37/29/428493729.db2.gz WBTDZBUFSZNCNE-UHFFFAOYSA-N -1 3 319.279 2.722 20 0 DFADHM COc1cccc2c1CCCN2C(=O)c1ccc2n[n-]nc2c1 ZINC000353342788 428495313 /nfs/dbraw/zinc/49/53/13/428495313.db2.gz XZCSZZDUFLNFER-UHFFFAOYSA-N -1 3 308.341 2.560 20 0 DFADHM Cc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnc2ccccc12 ZINC000360932637 428497092 /nfs/dbraw/zinc/49/70/92/428497092.db2.gz FFPIBTYNYGFAPT-UHFFFAOYSA-N -1 3 321.262 2.932 20 0 DFADHM Cc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnc2ccccc12 ZINC000360932637 428497097 /nfs/dbraw/zinc/49/70/97/428497097.db2.gz FFPIBTYNYGFAPT-UHFFFAOYSA-N -1 3 321.262 2.932 20 0 DFADHM O=C(NCc1ccc(CO)c(F)c1)c1cc([O-])ccc1Cl ZINC000342976489 428497142 /nfs/dbraw/zinc/49/71/42/428497142.db2.gz LUGYLKXYEZROJN-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/59/13/51/428591351.db2.gz SFMFMZQHWGKYKK-UHFFFAOYSA-N -1 3 310.401 2.855 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000373270171 428535387 /nfs/dbraw/zinc/53/53/87/428535387.db2.gz JIDRVEXJHNXLNK-CQSZACIVSA-N -1 3 310.353 2.509 20 0 DFADHM CC(C)(C)[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C[C@H]1O ZINC000408043994 428593689 /nfs/dbraw/zinc/59/36/89/428593689.db2.gz ZZRYSZJOYBYKGY-TZMCWYRMSA-N -1 3 311.809 2.915 20 0 DFADHM COC(=O)[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@H]1C1CC1 ZINC000353472262 428553649 /nfs/dbraw/zinc/55/36/49/428553649.db2.gz OEDGYCSJXMSYOR-QWHCGFSZSA-N -1 3 309.793 2.677 20 0 DFADHM Cn1[n-]c(CN2CCC[C@H]2c2cccc3ccccc32)nc1=O ZINC000353475949 428554249 /nfs/dbraw/zinc/55/42/49/428554249.db2.gz LMQYRFRYOTYQNP-INIZCTEOSA-N -1 3 308.385 2.599 20 0 DFADHM Cn1[n-]c(CN2CCCCC[C@H]2/C=C\c2ccccc2)nc1=O ZINC000353477347 428557556 /nfs/dbraw/zinc/55/75/56/428557556.db2.gz OWQKGJNPWQUWHZ-JNSOCZORSA-N -1 3 312.417 2.566 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000361329958 428557845 /nfs/dbraw/zinc/55/78/45/428557845.db2.gz FZNFSQLQWNFBHZ-BDAKNGLRSA-N -1 3 319.331 2.592 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000361329958 428557850 /nfs/dbraw/zinc/55/78/50/428557850.db2.gz FZNFSQLQWNFBHZ-BDAKNGLRSA-N -1 3 319.331 2.592 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361329958 428557855 /nfs/dbraw/zinc/55/78/55/428557855.db2.gz FZNFSQLQWNFBHZ-BDAKNGLRSA-N -1 3 319.331 2.592 20 0 DFADHM O=C(Nc1ccnn1C[C@H]1CCOC1)c1cc([O-])ccc1Cl ZINC000353484076 428559642 /nfs/dbraw/zinc/55/96/42/428559642.db2.gz PUOUPGADJNGICL-SNVBAGLBSA-N -1 3 321.764 2.531 20 0 DFADHM CCSc1nnc([N-]C(=O)c2cccc3nccnc32)s1 ZINC000347526721 428596880 /nfs/dbraw/zinc/59/68/80/428596880.db2.gz XUGBRCAWSPRWFA-UHFFFAOYSA-N -1 3 317.399 2.846 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCCCS1)c1ccc(F)cc1F ZINC000344006194 428605967 /nfs/dbraw/zinc/60/59/67/428605967.db2.gz 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ZINC000364032328 429160695 /nfs/dbraw/zinc/16/06/95/429160695.db2.gz YOBJSJQXRPOLJX-UHFFFAOYSA-N -1 3 314.389 2.736 20 0 DFADHM CCc1cc(C(=O)N(CCO)Cc2cccc(F)c2)ccc1[O-] ZINC000487657256 429163656 /nfs/dbraw/zinc/16/36/56/429163656.db2.gz RMRTZVYDVNPJNC-UHFFFAOYSA-N -1 3 317.360 2.728 20 0 DFADHM Cc1ccc(-c2ccc(CNC[C@@H]3OCC[C@H]3C(=O)[O-])o2)cc1 ZINC000424610493 429164401 /nfs/dbraw/zinc/16/44/01/429164401.db2.gz CZHDTEZAKOZFMB-WBVHZDCISA-N -1 3 315.369 2.834 20 0 DFADHM COCc1nocc1C(=O)[N-]c1ncc(-c2ccccn2)s1 ZINC000487772984 429167337 /nfs/dbraw/zinc/16/73/37/429167337.db2.gz RVYLTKUWESJTPW-UHFFFAOYSA-N -1 3 316.342 2.592 20 0 DFADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1nc[n-]n1 ZINC000435931888 429171815 /nfs/dbraw/zinc/17/18/15/429171815.db2.gz AKOUOVPEJLXFAD-UHFFFAOYSA-N -1 3 315.720 2.898 20 0 DFADHM Cc1cc(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)ccc1[O-] ZINC000495192223 429186773 /nfs/dbraw/zinc/18/67/73/429186773.db2.gz SKHYIHLTFHGWSU-NSHDSACASA-N -1 3 322.405 2.591 20 0 DFADHM CCOCCON=C([O-])Nc1ccc(-c2ccnc(C)n2)cc1 ZINC000364344145 429187755 /nfs/dbraw/zinc/18/77/55/429187755.db2.gz BGOXQTBZAODUFS-UHFFFAOYSA-N -1 3 316.361 2.542 20 0 DFADHM CCOCCO[N-]C(=O)Nc1ccc(-c2ccnc(C)n2)cc1 ZINC000364344145 429187758 /nfs/dbraw/zinc/18/77/58/429187758.db2.gz BGOXQTBZAODUFS-UHFFFAOYSA-N -1 3 316.361 2.542 20 0 DFADHM C[C@@H](CO[N-]C(=O)[C@H]1CC12CCCC2)NC(=O)OC(C)(C)C ZINC000495237407 429190333 /nfs/dbraw/zinc/19/03/33/429190333.db2.gz KZVBVHPNXDKXOS-NWDGAFQWSA-N -1 3 312.410 2.528 20 0 DFADHM Cc1ncc(CNC(=O)Nc2ccccc2C(C)(F)F)c(=O)[n-]1 ZINC000455764841 429209449 /nfs/dbraw/zinc/20/94/49/429209449.db2.gz DFJAHXNSPJEFGL-UHFFFAOYSA-N -1 3 322.315 2.924 20 0 DFADHM CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)[N-]OC2CCCC2)C1 ZINC000495523045 429217269 /nfs/dbraw/zinc/21/72/69/429217269.db2.gz BGHXXDPNFDBLGL-GUYCJALGSA-N -1 3 324.421 2.624 20 0 DFADHM C[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C(=O)OC(C)(C)C ZINC000425031494 429222039 /nfs/dbraw/zinc/22/20/39/429222039.db2.gz AKPWROTWTZBFBC-DOMZBBRYSA-N -1 3 319.401 2.975 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)[N-]OC[C@H]2CCOC2)o1 ZINC000364545722 429222663 /nfs/dbraw/zinc/22/26/63/429222663.db2.gz JRWOGFSNGGTSBD-MBJXGIAVSA-N -1 3 305.374 2.591 20 0 DFADHM Cc1ccc(C(=O)NCCNc2ccc3ccccc3n2)c([O-])c1 ZINC000436847200 429202913 /nfs/dbraw/zinc/20/29/13/429202913.db2.gz ZTBGPRNBLTYYRW-UHFFFAOYSA-N -1 3 321.380 3.091 20 0 DFADHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccccn2)c(C)c1 ZINC000490287607 429283736 /nfs/dbraw/zinc/28/37/36/429283736.db2.gz CROPBLIUDMPYTA-UHFFFAOYSA-N -1 3 318.442 2.955 20 0 DFADHM Cc1cc(C(=O)Nc2ccn(CCC(F)(F)F)n2)ccc1[O-] ZINC000425105257 429233502 /nfs/dbraw/zinc/23/35/02/429233502.db2.gz XTWLERKKJYKZDT-UHFFFAOYSA-N -1 3 313.279 3.102 20 0 DFADHM CSc1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c([O-])c1 ZINC000364617580 429233886 /nfs/dbraw/zinc/23/38/86/429233886.db2.gz LOABDNRBYYFLQB-LNSITVRQSA-N -1 3 307.415 2.802 20 0 DFADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)[N-]OCCC1CC1 ZINC000495643971 429238291 /nfs/dbraw/zinc/23/82/91/429238291.db2.gz GNLQNQZXJATECL-QWHCGFSZSA-N -1 3 312.410 2.528 20 0 DFADHM O=S(=O)(CCc1ccc(Cl)cc1)[N-]C1(C(F)F)CC1 ZINC000425185009 429243032 /nfs/dbraw/zinc/24/30/32/429243032.db2.gz GFEBQTYSXOSTTQ-UHFFFAOYSA-N -1 3 309.765 2.600 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCO[C@H]3C(C)C)[n-]2)o1 ZINC000425197146 429244401 /nfs/dbraw/zinc/24/44/01/429244401.db2.gz AVKQTOAZKLICBV-AAEUAGOBSA-N -1 3 318.377 2.763 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCCO[C@H]3C(C)C)n2)o1 ZINC000425197146 429244407 /nfs/dbraw/zinc/24/44/07/429244407.db2.gz AVKQTOAZKLICBV-AAEUAGOBSA-N -1 3 318.377 2.763 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCO[C@H]3C(C)C)n[n-]2)o1 ZINC000425197146 429244410 /nfs/dbraw/zinc/24/44/10/429244410.db2.gz AVKQTOAZKLICBV-AAEUAGOBSA-N -1 3 318.377 2.763 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)c1 ZINC000443379684 429246768 /nfs/dbraw/zinc/24/67/68/429246768.db2.gz HAQYAASGDPNJJV-GFCCVEGCSA-N -1 3 323.389 2.749 20 0 DFADHM O=c1[n-]c(=O)n(Cc2cc(Cl)cc3cccnc32)cc1Cl ZINC000443422842 429249799 /nfs/dbraw/zinc/24/97/99/429249799.db2.gz OTOHUDHTTHZPOJ-UHFFFAOYSA-N -1 3 322.151 2.852 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2ccccc2N(C)C(C)C)[n-]1 ZINC000425290982 429258568 /nfs/dbraw/zinc/25/85/68/429258568.db2.gz PXUXTKFAVPXASJ-UHFFFAOYSA-N -1 3 315.373 2.898 20 0 DFADHM Cc1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)ns1 ZINC000444256499 429267670 /nfs/dbraw/zinc/26/76/70/429267670.db2.gz MAUNDOOSOYFEAP-UHFFFAOYSA-N -1 3 319.777 3.142 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CC(C)(c3ccccc3F)C2)c1 ZINC000365256010 429289320 /nfs/dbraw/zinc/28/93/20/429289320.db2.gz NDFPZFDPENMQIM-UHFFFAOYSA-N -1 3 315.344 2.954 20 0 DFADHM C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c([O-])cccc1Cl ZINC000495825271 429273896 /nfs/dbraw/zinc/27/38/96/429273896.db2.gz NTMZWPOBRJACHJ-QMMMGPOBSA-N -1 3 314.769 2.897 20 0 DFADHM COC(=O)Nc1ccc(NC([O-])=NOC/C=C\Cl)cc1F ZINC000495848852 429278826 /nfs/dbraw/zinc/27/88/26/429278826.db2.gz HCRXOKYGVCRUOQ-DJWKRKHSSA-N -1 3 317.704 2.810 20 0 DFADHM COC(=O)Nc1ccc(NC(=O)[N-]OC/C=C\Cl)cc1F ZINC000495848852 429278830 /nfs/dbraw/zinc/27/88/30/429278830.db2.gz HCRXOKYGVCRUOQ-DJWKRKHSSA-N -1 3 317.704 2.810 20 0 DFADHM CCOC(=O)Nc1ccc(NC([O-])=NOCCSC)cc1 ZINC000495855051 429279446 /nfs/dbraw/zinc/27/94/46/429279446.db2.gz PATYTVTXRSJWKL-UHFFFAOYSA-N -1 3 313.379 2.671 20 0 DFADHM CCOC(=O)Nc1ccc(NC(=O)[N-]OCCSC)cc1 ZINC000495855051 429279451 /nfs/dbraw/zinc/27/94/51/429279451.db2.gz PATYTVTXRSJWKL-UHFFFAOYSA-N -1 3 313.379 2.671 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](C)[C@@H](OC)C3CC3)ccc2[n-]1 ZINC000456537139 429321011 /nfs/dbraw/zinc/32/10/11/429321011.db2.gz AVSLEIQQUFOXDP-MEBBXXQBSA-N -1 3 317.389 2.505 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](C)[C@@H](OC)C3CC3)cc2[n-]1 ZINC000456537139 429321017 /nfs/dbraw/zinc/32/10/17/429321017.db2.gz AVSLEIQQUFOXDP-MEBBXXQBSA-N -1 3 317.389 2.505 20 0 DFADHM CO[C@@H]([C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000456546621 429322822 /nfs/dbraw/zinc/32/28/22/429322822.db2.gz FXWWBJHWXUWINE-GTNSWQLSSA-N -1 3 309.381 2.784 20 0 DFADHM CSc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000365536283 429336615 /nfs/dbraw/zinc/33/66/15/429336615.db2.gz TXGJKUIUNUWTHD-HIFRSBDPSA-N -1 3 307.415 2.898 20 0 DFADHM O=C(Nc1ccsc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000365552950 429340994 /nfs/dbraw/zinc/34/09/94/429340994.db2.gz PNFOWZGAWMINCI-CYBMUJFWSA-N -1 3 316.382 2.697 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1OCc1ccccc1)c1ccco1 ZINC000445735208 429290212 /nfs/dbraw/zinc/29/02/12/429290212.db2.gz OOEMNMWAJHMXDI-CABCVRRESA-N -1 3 321.398 2.696 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1ccoc1)c1cc(C(F)(F)F)on1 ZINC000490479717 429291677 /nfs/dbraw/zinc/29/16/77/429291677.db2.gz UDSRFUCFGLKVCE-UHFFFAOYSA-N -1 3 324.280 2.500 20 0 DFADHM CCc1cc(C(=O)NC[C@H]2CCCn3cc(C)nc32)ccc1[O-] ZINC000365881589 429394920 /nfs/dbraw/zinc/39/49/20/429394920.db2.gz MJSPBZNQPYOEQR-OAHLLOKOSA-N -1 3 313.401 2.767 20 0 DFADHM COc1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cn1 ZINC000426724372 429411343 /nfs/dbraw/zinc/41/13/43/429411343.db2.gz RVKLFEBEHZNGLC-BLLLJJGKSA-N -1 3 300.358 2.642 20 0 DFADHM CC[C@@H](CNCc1nc2ccc(OC)cc2s1)CC(=O)[O-] ZINC000426655394 429407066 /nfs/dbraw/zinc/40/70/66/429407066.db2.gz RUMQEJIRIYRTDY-SNVBAGLBSA-N -1 3 308.403 2.895 20 0 DFADHM CC[C@H](CNCc1ccc(OC)c(OC)c1Cl)CC(=O)[O-] ZINC000426669859 429408434 /nfs/dbraw/zinc/40/84/34/429408434.db2.gz PHAMKPDDXRAAME-JTQLQIEISA-N -1 3 315.797 2.948 20 0 DFADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCC[C@H](C)C1 ZINC000456991715 429375138 /nfs/dbraw/zinc/37/51/38/429375138.db2.gz FWWARJLUZXSGFW-SRVKXCTJSA-N -1 3 314.385 2.515 20 0 DFADHM O=C([O-])c1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1 ZINC000426703748 429410467 /nfs/dbraw/zinc/41/04/67/429410467.db2.gz HPYXRAKNAKKQEJ-UHFFFAOYSA-N -1 3 307.353 2.860 20 0 DFADHM O=C([O-])Cc1ccccc1CNCc1ccc(-n2ccnc2)cc1 ZINC000426710869 429410514 /nfs/dbraw/zinc/41/05/14/429410514.db2.gz XYKKJTVPUIAAPY-UHFFFAOYSA-N -1 3 321.380 2.789 20 0 DFADHM [O-]c1cc(CNCc2noc(C3CC3)n2)cc(C(F)(F)F)c1 ZINC000449296412 429379619 /nfs/dbraw/zinc/37/96/19/429379619.db2.gz BHEVOOXXQAFRQZ-UHFFFAOYSA-N -1 3 313.279 2.961 20 0 DFADHM CCc1ccc(C(=O)N2CCN[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000457032309 429380844 /nfs/dbraw/zinc/38/08/44/429380844.db2.gz TWMKNHXIEPKOCM-QGZVFWFLSA-N -1 3 310.397 2.741 20 0 DFADHM Cc1cn(C2CCCCC2)nc1NC(=O)[N-]c1cnns1 ZINC000516617187 429381794 /nfs/dbraw/zinc/38/17/94/429381794.db2.gz KPVJMCVHLLYYKN-UHFFFAOYSA-N -1 3 306.395 3.192 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@@H](c3cnn(C)c3)C2)ccc1[O-] ZINC000365862713 429389607 /nfs/dbraw/zinc/38/96/07/429389607.db2.gz SPZXETSOQFVPIB-OAHLLOKOSA-N -1 3 313.401 2.708 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2cnc(C(C)(C)C)s2)[n-]1 ZINC000491944840 429438491 /nfs/dbraw/zinc/43/84/91/429438491.db2.gz HCQYZSUMIGACCN-WAYWQWQTSA-N -1 3 323.447 2.933 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2cnc(C(C)(C)C)s2)n1 ZINC000491944840 429438498 /nfs/dbraw/zinc/43/84/98/429438498.db2.gz HCQYZSUMIGACCN-WAYWQWQTSA-N -1 3 323.447 2.933 20 0 DFADHM CSc1nc(NC(=O)C=Cc2cnc(C(C)(C)C)s2)n[n-]1 ZINC000491944840 429438502 /nfs/dbraw/zinc/43/85/02/429438502.db2.gz HCQYZSUMIGACCN-WAYWQWQTSA-N -1 3 323.447 2.933 20 0 DFADHM Cc1c(Cl)cccc1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000427196359 429439034 /nfs/dbraw/zinc/43/90/34/429439034.db2.gz GHZBXRPKDRCEAZ-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM Cc1c(Cl)cccc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000427196359 429439036 /nfs/dbraw/zinc/43/90/36/429439036.db2.gz GHZBXRPKDRCEAZ-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM Cc1c(Cl)cccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000427196359 429439039 /nfs/dbraw/zinc/43/90/39/429439039.db2.gz GHZBXRPKDRCEAZ-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OCCCOC(C)C)cc1[O-] ZINC000491949729 429440208 /nfs/dbraw/zinc/44/02/08/429440208.db2.gz VMKVBUCSHQGFMW-UHFFFAOYSA-N -1 3 311.334 2.542 20 0 DFADHM Cc1ccc([C@]2(C)CCN(C(=O)c3csc(=O)[n-]3)C2)cc1 ZINC000366251938 429440462 /nfs/dbraw/zinc/44/04/62/429440462.db2.gz JXORJJYHYQNTFW-MRXNPFEDSA-N -1 3 302.399 2.961 20 0 DFADHM C[C@]1(C(=O)[O-])CCN(Cc2ccc(-c3ncco3)cc2F)C1 ZINC000519412928 429457489 /nfs/dbraw/zinc/45/74/89/429457489.db2.gz UWKDYYYPVVFJNW-INIZCTEOSA-N -1 3 304.321 2.777 20 0 DFADHM C[C@H](Cc1cccc(O)c1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000427637009 429461049 /nfs/dbraw/zinc/46/10/49/429461049.db2.gz NNRCTTPRXPTXEX-GFCCVEGCSA-N -1 3 322.364 2.595 20 0 DFADHM CCC(C)(C)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427650975 429463309 /nfs/dbraw/zinc/46/33/09/429463309.db2.gz MEJDNQRRTMAFPK-HNNXBMFYSA-N -1 3 318.417 2.549 20 0 DFADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cn1 ZINC000426744004 429412210 /nfs/dbraw/zinc/41/22/10/429412210.db2.gz VRHXIKDSMCESLG-MRXNPFEDSA-N -1 3 300.358 2.623 20 0 DFADHM CC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426762681 429413476 /nfs/dbraw/zinc/41/34/76/429413476.db2.gz MKAQZRCYTRXKGS-MRXNPFEDSA-N -1 3 316.332 2.700 20 0 DFADHM Cn1c(CN[C@H]2CCC[C@]2(C)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000426750841 429414186 /nfs/dbraw/zinc/41/41/86/429414186.db2.gz QPJFHSNPEFDTGP-BBRMVZONSA-N -1 3 321.808 2.960 20 0 DFADHM Cn1c(CN[C@H]2CCC[C@@]2(C)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000426750844 429414229 /nfs/dbraw/zinc/41/42/29/429414229.db2.gz QPJFHSNPEFDTGP-XJKSGUPXSA-N -1 3 321.808 2.960 20 0 DFADHM Cc1cc(C)n([C@H]2CCCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)n1 ZINC000366081498 429414710 /nfs/dbraw/zinc/41/47/10/429414710.db2.gz CXKNGHWMUHJNBC-CABCVRRESA-N -1 3 315.421 2.702 20 0 DFADHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CC1(CC(=O)[O-])CC1 ZINC000518200291 429414820 /nfs/dbraw/zinc/41/48/20/429414820.db2.gz IQJSRMAZLZSJKB-LAJNKCICSA-N -1 3 309.431 2.672 20 0 DFADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccnc2C)c1 ZINC000426772928 429415564 /nfs/dbraw/zinc/41/55/64/429415564.db2.gz MMBQVIZECZJMRZ-MRXNPFEDSA-N -1 3 300.358 2.704 20 0 DFADHM O=C([O-])[C@H](Cc1ccco1)NCc1ccccc1Br ZINC000426811677 429416779 /nfs/dbraw/zinc/41/67/79/429416779.db2.gz VDJLLSHHFYGSGK-ZDUSSCGKSA-N -1 3 324.174 2.828 20 0 DFADHM CCc1ccc([C@H](NCc2ccc(OC)c(O)c2)C(=O)[O-])cc1 ZINC000426803519 429417339 /nfs/dbraw/zinc/41/73/39/429417339.db2.gz MZZYSSSNDSCMJZ-KRWDZBQOSA-N -1 3 315.369 2.879 20 0 DFADHM COc1cccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)c1 ZINC000426798367 429418169 /nfs/dbraw/zinc/41/81/69/429418169.db2.gz IAJOTQJXUMUWES-INIZCTEOSA-N -1 3 319.332 2.758 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@@H](c3nccn3C)C2)ccc1[O-] ZINC000366133896 429424171 /nfs/dbraw/zinc/42/41/71/429424171.db2.gz KBIAQVDXVPOZQQ-OAHLLOKOSA-N -1 3 313.401 2.708 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCc1c(F)cccc1Cl ZINC000492397399 429528602 /nfs/dbraw/zinc/52/86/02/429528602.db2.gz JYEUPOKXHVXSAU-SNAWJCMRSA-N -1 3 306.724 2.909 20 0 DFADHM Cn1c(CNC2(C(=O)[O-])CCC(F)(F)CC2)nc2ccccc21 ZINC000519642113 429473299 /nfs/dbraw/zinc/47/32/99/429473299.db2.gz CAGOZHJYWZXYKG-UHFFFAOYSA-N -1 3 323.343 2.696 20 0 DFADHM CCC[C@@H](C)S(=O)(=O)[N-]c1ccccc1N1CCCC1=O ZINC000519681604 429477804 /nfs/dbraw/zinc/47/78/04/429477804.db2.gz LQBUBHTZWLIOLG-GFCCVEGCSA-N -1 3 310.419 2.744 20 0 DFADHM CC(C)C[C@H](C(=O)[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000519699610 429478625 /nfs/dbraw/zinc/47/86/25/429478625.db2.gz AOEYBJRAJUNYKE-HUUCEWRRSA-N -1 3 313.344 2.837 20 0 DFADHM Cc1ccccc1NCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000427957792 429479434 /nfs/dbraw/zinc/47/94/34/429479434.db2.gz LJFFJTGKRDPPTM-UHFFFAOYSA-N -1 3 302.349 2.958 20 0 DFADHM CC(C)C[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000519699614 429479678 /nfs/dbraw/zinc/47/96/78/429479678.db2.gz AOEYBJRAJUNYKE-LSDHHAIUSA-N -1 3 313.344 2.837 20 0 DFADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1nc2c(s1)CCC2 ZINC000519687376 429480018 /nfs/dbraw/zinc/48/00/18/429480018.db2.gz WVHACDDIERNGST-SECBINFHSA-N -1 3 320.389 2.896 20 0 DFADHM C/C=C(/C=C\C(=O)Nc1ccccc1[N-]S(C)(=O)=O)CC ZINC000492170460 429480312 /nfs/dbraw/zinc/48/03/12/429480312.db2.gz PAKDCEFOAOABFZ-JVAIOLIJSA-N -1 3 308.403 2.909 20 0 DFADHM CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)c(F)c1 ZINC000519704118 429480954 /nfs/dbraw/zinc/48/09/54/429480954.db2.gz LIHLIFPFJZEXHF-UHFFFAOYSA-N -1 3 305.284 2.614 20 0 DFADHM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1CCCCC(=O)[O-] ZINC000519772571 429487036 /nfs/dbraw/zinc/48/70/36/429487036.db2.gz LFOIFHNHOPSCPJ-HUUCEWRRSA-N -1 3 311.422 2.685 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@]2(OC(C)C)CCOC2)c1[O-] ZINC000449886089 429530716 /nfs/dbraw/zinc/53/07/16/429530716.db2.gz GNKBFXHAKASBSP-OAHLLOKOSA-N -1 3 313.781 2.877 20 0 DFADHM Cc1ncc(C[N-]c2nnc(C(F)(F)F)o2)n1-c1ccccc1 ZINC000428320918 429510036 /nfs/dbraw/zinc/51/00/36/429510036.db2.gz WLANKJXBIPUGKR-UHFFFAOYSA-N -1 3 323.278 3.195 20 0 DFADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1oncc1C(=O)[O-] ZINC000520416476 429514473 /nfs/dbraw/zinc/51/44/73/429514473.db2.gz DXGGIOHUTGKQGO-CMPLNLGQSA-N -1 3 304.321 2.890 20 0 DFADHM CCOc1nc2cc(C(=O)NCCOC3CCCC3)ccc2[n-]1 ZINC000449816253 429518654 /nfs/dbraw/zinc/51/86/54/429518654.db2.gz VGODYUALPFVROI-UHFFFAOYSA-N -1 3 317.389 2.651 20 0 DFADHM CCOc1nc2ccc(C(=O)NCCOC3CCCC3)cc2[n-]1 ZINC000449816253 429518660 /nfs/dbraw/zinc/51/86/60/429518660.db2.gz VGODYUALPFVROI-UHFFFAOYSA-N -1 3 317.389 2.651 20 0 DFADHM CC(C)c1csc(CNC(=O)/C=C\c2cncc([O-])c2)n1 ZINC000492523401 429557094 /nfs/dbraw/zinc/55/70/94/429557094.db2.gz WQXFLGSPGBROGS-ARJAWSKDSA-N -1 3 303.387 2.697 20 0 DFADHM Cc1ncc(CNC(=O)C=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)[n-]1 ZINC000492531778 429558430 /nfs/dbraw/zinc/55/84/30/429558430.db2.gz HOFPASSHVTUMJZ-KAAREYSNSA-N -1 3 313.357 2.537 20 0 DFADHM O=C(/C=C/c1cc(Cl)cc(Cl)c1)[N-]O[C@H]1CCOC1 ZINC000492538712 429561955 /nfs/dbraw/zinc/56/19/55/429561955.db2.gz PPRGIGFVPBNXEJ-ISUDXETCSA-N -1 3 302.157 2.843 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)C[C@H](C)Cc1cccc(F)c1 ZINC000522011930 429575354 /nfs/dbraw/zinc/57/53/54/429575354.db2.gz WNRNUZMJIPKVCP-SNVBAGLBSA-N -1 3 319.336 2.543 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)C[C@H](C)Cc1cccc(F)c1 ZINC000522011930 429575356 /nfs/dbraw/zinc/57/53/56/429575356.db2.gz WNRNUZMJIPKVCP-SNVBAGLBSA-N -1 3 319.336 2.543 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@H]2COC[C@H]21 ZINC000367087928 429575407 /nfs/dbraw/zinc/57/54/07/429575407.db2.gz RRQCKKGDXKLCDM-XJKSGUPXSA-N -1 3 301.386 2.522 20 0 DFADHM CCCCn1nc(C)c(/C=C/C(=O)[N-]OCC(F)F)c1Cl ZINC000492604036 429576321 /nfs/dbraw/zinc/57/63/21/429576321.db2.gz NZEDAFDOFCTVQS-AATRIKPKSA-N -1 3 321.755 2.971 20 0 DFADHM Cc1cnc(CCN(C)C(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000450225352 429582192 /nfs/dbraw/zinc/58/21/92/429582192.db2.gz AFXVKUFOXJEPPQ-UHFFFAOYSA-N -1 3 308.378 2.540 20 0 DFADHM CCC[C@H](C)CC(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000522141011 429582236 /nfs/dbraw/zinc/58/22/36/429582236.db2.gz GOWXKNQBTVCJLB-APPDUMDISA-N -1 3 317.389 2.506 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000449892224 429532728 /nfs/dbraw/zinc/53/27/28/429532728.db2.gz NPCFFLXTABCETN-CQSZACIVSA-N -1 3 303.337 2.551 20 0 DFADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cncs1 ZINC000521208600 429543574 /nfs/dbraw/zinc/54/35/74/429543574.db2.gz RDPMJAJSMSMBFZ-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM CN(c1ccccc1)C1CCN(c2ccncc2C(=O)[O-])CC1 ZINC000521252488 429544398 /nfs/dbraw/zinc/54/43/98/429544398.db2.gz ILZRGTQTCWMPDT-UHFFFAOYSA-N -1 3 311.385 2.885 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccc(-n2cccn2)c(F)c1 ZINC000492469491 429545082 /nfs/dbraw/zinc/54/50/82/429545082.db2.gz CRPJZNGSAKUSFK-DJWKRKHSSA-N -1 3 324.315 2.764 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H]3CCCC[C@H]3OC)ccc2[n-]1 ZINC000449955401 429545305 /nfs/dbraw/zinc/54/53/05/429545305.db2.gz ZARHLEMZCUIDHU-UKRRQHHQSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H]3CCCC[C@H]3OC)cc2[n-]1 ZINC000449955401 429545307 /nfs/dbraw/zinc/54/53/07/429545307.db2.gz ZARHLEMZCUIDHU-UKRRQHHQSA-N -1 3 317.389 2.649 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000492472978 429546720 /nfs/dbraw/zinc/54/67/20/429546720.db2.gz LLJMTJNBBZQALY-SREVYHEPSA-N -1 3 324.380 2.945 20 0 DFADHM CCC[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000524518227 429626137 /nfs/dbraw/zinc/62/61/37/429626137.db2.gz MXVSJIJWZLVOSN-UKRRQHHQSA-N -1 3 305.422 2.817 20 0 DFADHM Cc1cccc(C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000458366206 429627349 /nfs/dbraw/zinc/62/73/49/429627349.db2.gz ULGFWQFDJZBSDX-GFCCVEGCSA-N -1 3 307.390 2.750 20 0 DFADHM COC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429821093 429634146 /nfs/dbraw/zinc/63/41/46/429634146.db2.gz NACTXVRCYPNJNG-UHFFFAOYSA-N -1 3 312.218 2.697 20 0 DFADHM CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000458403808 429634611 /nfs/dbraw/zinc/63/46/11/429634611.db2.gz CPLMGIPSWFFOAN-UKRRQHHQSA-N -1 3 310.369 2.678 20 0 DFADHM OCc1nnc([N-]Cc2ccc(-c3ccc(Cl)cc3)s2)o1 ZINC000429845483 429636427 /nfs/dbraw/zinc/63/64/27/429636427.db2.gz ZQQKDNAYMXOGRG-UHFFFAOYSA-N -1 3 321.789 3.556 20 0 DFADHM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCCOC1 ZINC000429871042 429637705 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ZINC000450359234 429609504 /nfs/dbraw/zinc/60/95/04/429609504.db2.gz VMZBFBUCMBARFD-KBPBESRZSA-N -1 3 303.362 3.115 20 0 DFADHM CCOCc1nc(C)c(C(=O)[N-]c2n[nH]c(C3CCC3)n2)s1 ZINC000450596296 429657314 /nfs/dbraw/zinc/65/73/14/429657314.db2.gz SRQTYSFFKCGKGH-UHFFFAOYSA-N -1 3 321.406 2.626 20 0 DFADHM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)[N-]OC(C)(C)CO ZINC000492982285 429660701 /nfs/dbraw/zinc/66/07/01/429660701.db2.gz HPILRNXSKCPRFA-OCHBPSSRSA-N -1 3 307.390 2.696 20 0 DFADHM O=S(=O)([N-]CC(C1CC1)C1CC1)c1cc(F)cc(F)c1 ZINC000525701490 429667073 /nfs/dbraw/zinc/66/70/73/429667073.db2.gz BBESJBWDKARDST-UHFFFAOYSA-N -1 3 301.358 2.679 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1Cc2cccc(O)c2C1 ZINC000430250976 429667116 /nfs/dbraw/zinc/66/71/16/429667116.db2.gz WMBYGDDANRIIJN-GFCCVEGCSA-N -1 3 317.772 2.577 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)/C=C\c2ccn(C)c2)c([O-])c1 ZINC000492952915 429653428 /nfs/dbraw/zinc/65/34/28/429653428.db2.gz NSZYJMLJLSGNAV-DAXSKMNVSA-N -1 3 314.341 2.559 20 0 DFADHM O=c1[n-]nc(CN2CCC[C@@H](COc3ccccc3)C2)s1 ZINC000367462494 429653836 /nfs/dbraw/zinc/65/38/36/429653836.db2.gz GAZINYCJZRSJDT-GFCCVEGCSA-N -1 3 305.403 2.535 20 0 DFADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccoc2)c2ccccc2O1 ZINC000286133141 276143518 /nfs/dbraw/zinc/14/35/18/276143518.db2.gz WLOYNXGMBMCROY-CYBMUJFWSA-N -1 3 307.371 2.860 20 0 DFADHM CCCn1ncc(NC(=O)/C=C/c2cncc([O-])c2)c1C1CC1 ZINC000493080438 429683698 /nfs/dbraw/zinc/68/36/98/429683698.db2.gz HHVAOPGNXFGSSN-ZZXKWVIFSA-N -1 3 312.373 2.923 20 0 DFADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000493053276 429678028 /nfs/dbraw/zinc/67/80/28/429678028.db2.gz CQKNSBRVVXBRDZ-UVWWULRDSA-N -1 3 314.307 2.990 20 0 DFADHM CC(C)(CO)O[N-]C(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000493066226 429680772 /nfs/dbraw/zinc/68/07/72/429680772.db2.gz RZZYSCMVDLKSPE-ARJAWSKDSA-N -1 3 304.173 2.825 20 0 DFADHM Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc2nn[n-]c21 ZINC000525872779 429682071 /nfs/dbraw/zinc/68/20/71/429682071.db2.gz KLEXGPHYRXASCL-UHFFFAOYSA-N -1 3 324.388 3.220 20 0 DFADHM Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc2[n-]nnc21 ZINC000525872779 429682075 /nfs/dbraw/zinc/68/20/75/429682075.db2.gz KLEXGPHYRXASCL-UHFFFAOYSA-N -1 3 324.388 3.220 20 0 DFADHM Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc2n[n-]nc21 ZINC000525872779 429682078 /nfs/dbraw/zinc/68/20/78/429682078.db2.gz KLEXGPHYRXASCL-UHFFFAOYSA-N -1 3 324.388 3.220 20 0 DFADHM O=C(/C=C/COCC(F)(F)F)N1CCCc2cccc([O-])c21 ZINC000493101175 429689922 /nfs/dbraw/zinc/68/99/22/429689922.db2.gz CBKAYWHAOZQFPE-XVNBXDOJSA-N -1 3 315.291 2.807 20 0 DFADHM CCc1ccc(C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)c([O-])c1 ZINC000526057333 429697963 /nfs/dbraw/zinc/69/79/63/429697963.db2.gz ROOHDBYCCDWVLF-AEFFLSMTSA-N -1 3 303.402 2.890 20 0 DFADHM C[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])CC[C@@H]1O ZINC000450796300 429700738 /nfs/dbraw/zinc/70/07/38/429700738.db2.gz PKAKLXBVEZYGFF-DYVFJYSZSA-N -1 3 313.397 2.707 20 0 DFADHM C[C@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])CC[C@H]1O ZINC000450796302 429701567 /nfs/dbraw/zinc/70/15/67/429701567.db2.gz PKAKLXBVEZYGFF-SUMWQHHRSA-N -1 3 313.397 2.707 20 0 DFADHM C[C@H](C(=O)[O-])N(C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000430653607 429707074 /nfs/dbraw/zinc/70/70/74/429707074.db2.gz PWVNEMOKXCITSE-CYBMUJFWSA-N -1 3 312.369 2.844 20 0 DFADHM CN(CCCC(=O)[O-])Cc1ccccc1OCC(F)(F)F ZINC000430662971 429707839 /nfs/dbraw/zinc/70/78/39/429707839.db2.gz SSZONQFBVLMQDI-UHFFFAOYSA-N -1 3 305.296 2.924 20 0 DFADHM CN(CCCC(=O)[O-])[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000430682349 429708681 /nfs/dbraw/zinc/70/86/81/429708681.db2.gz WYKZZJVBEVZWEY-AWEZNQCLSA-N -1 3 324.808 2.632 20 0 DFADHM C[C@H]1c2ccc(Cl)n2CCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000493196160 429709634 /nfs/dbraw/zinc/70/96/34/429709634.db2.gz WSKUEUIVZQTRNM-SROOVFNMSA-N -1 3 317.776 2.859 20 0 DFADHM O=C(/C=C\[C@@H]1CCOC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000493204239 429711804 /nfs/dbraw/zinc/71/18/04/429711804.db2.gz SVSVZJSNMRDJOX-RZXPJHQTSA-N -1 3 301.264 2.942 20 0 DFADHM CCCOc1cc(O)ccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000493213761 429713106 /nfs/dbraw/zinc/71/31/06/429713106.db2.gz AIFIFGKXTASCKD-UTCJRWHESA-N -1 3 314.341 2.934 20 0 DFADHM O=C(Nc1ccc(-c2cncnc2)cc1)c1cccc2nn[n-]c21 ZINC000527108300 429724388 /nfs/dbraw/zinc/72/43/88/429724388.db2.gz RVNVOVNLQUENNK-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1ccc(-c2cncnc2)cc1)c1cccc2[n-]nnc21 ZINC000527108300 429724390 /nfs/dbraw/zinc/72/43/90/429724390.db2.gz RVNVOVNLQUENNK-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1ccc(-c2cncnc2)cc1)c1cccc2n[n-]nc21 ZINC000527108300 429724392 /nfs/dbraw/zinc/72/43/92/429724392.db2.gz RVNVOVNLQUENNK-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=c1[n-]nc(C2CCN(C[C@H]3CCCC(F)(F)C3)CC2)o1 ZINC000450925948 429730628 /nfs/dbraw/zinc/73/06/28/429730628.db2.gz JLUZQNSNNXDFNN-JTQLQIEISA-N -1 3 301.337 2.780 20 0 DFADHM CO[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(C)C ZINC000451271370 429800620 /nfs/dbraw/zinc/80/06/20/429800620.db2.gz KFMBWGIWFNEAMI-CYBMUJFWSA-N -1 3 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Cc1cccc([C@H](C)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC000574046644 430005925 /nfs/dbraw/zinc/00/59/25/430005925.db2.gz KCPTXVULLBQERQ-ZFWWWQNUSA-N -1 3 314.389 2.683 20 0 DFADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)CCOCC1CC1 ZINC000574071278 430008212 /nfs/dbraw/zinc/00/82/12/430008212.db2.gz ZOWNNWDXRRVXPM-UHFFFAOYSA-N -1 3 321.801 2.956 20 0 DFADHM CC(C)c1ccc(CC[N-]S(=O)(=O)c2ccccn2)cc1 ZINC000559655558 430011902 /nfs/dbraw/zinc/01/19/02/430011902.db2.gz NYKUKDGXFGKNNG-UHFFFAOYSA-N -1 3 304.415 2.726 20 0 DFADHM Cc1ccc(CS(=O)(=O)[N-]Cc2cnc(C3CC3)o2)c(F)c1 ZINC000574130019 430012610 /nfs/dbraw/zinc/01/26/10/430012610.db2.gz WEULUFMDKNVYSK-UHFFFAOYSA-N -1 3 324.377 2.619 20 0 DFADHM O=C(NCc1ccc(Cl)s1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574217411 430022613 /nfs/dbraw/zinc/02/26/13/430022613.db2.gz KUGQIEFGDWMYHH-UHFFFAOYSA-N -1 3 309.778 2.705 20 0 DFADHM CCn1nc(C)c(CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)c1C ZINC000639922923 430024242 /nfs/dbraw/zinc/02/42/42/430024242.db2.gz IRPPGRHSRHYJCB-CYBMUJFWSA-N 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/nfs/dbraw/zinc/06/93/15/430069315.db2.gz XZDFZJYNZBJGPU-UHFFFAOYSA-N -1 3 323.393 2.537 20 0 DFADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cscc1Cl ZINC000634665350 430069529 /nfs/dbraw/zinc/06/95/29/430069529.db2.gz FMOSYDIBQRQHPC-UHFFFAOYSA-N -1 3 305.812 2.553 20 0 DFADHM Cc1ccc([S@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC000560896586 430070344 /nfs/dbraw/zinc/07/03/44/430070344.db2.gz LGKAPYIALVZQKQ-OAQYLSRUSA-N -1 3 302.399 2.984 20 0 DFADHM O=C(Nc1ccc(OC(F)F)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561061615 430072690 /nfs/dbraw/zinc/07/26/90/430072690.db2.gz HXNRCJCBFVXADG-UHFFFAOYSA-N -1 3 321.283 2.913 20 0 DFADHM CC1(C)CO[C@@H](CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000634691924 430080582 /nfs/dbraw/zinc/08/05/82/430080582.db2.gz QYBASHAMSUOSBV-GFCCVEGCSA-N -1 3 313.344 2.667 20 0 DFADHM Cc1cc(Br)c2c(c1)CCN([C@H](C(=O)[O-])C1CC1)C2 ZINC000634693019 430081005 /nfs/dbraw/zinc/08/10/05/430081005.db2.gz OJWWYSXDWRMZKD-AWEZNQCLSA-N -1 3 324.218 2.979 20 0 DFADHM O=C([O-])[C@H]1CN(Cc2cccc3c2CCOC3)Cc2ccccc21 ZINC000634692188 430081889 /nfs/dbraw/zinc/08/18/89/430081889.db2.gz VZEYXCXNCLJXEI-IBGZPJMESA-N -1 3 323.392 2.943 20 0 DFADHM CC1(C)CO[C@H](CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000634691925 430082088 /nfs/dbraw/zinc/08/20/88/430082088.db2.gz QYBASHAMSUOSBV-LBPRGKRZSA-N -1 3 313.344 2.667 20 0 DFADHM Cc1ccc(C(=O)N2CCc3nc(C4CC4)ncc3C2)c([O-])c1C ZINC000529926577 430087540 /nfs/dbraw/zinc/08/75/40/430087540.db2.gz AJQSOSTWTWELKF-UHFFFAOYSA-N -1 3 323.396 2.875 20 0 DFADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@H](CCO)C2)c1C ZINC000580776478 430151537 /nfs/dbraw/zinc/15/15/37/430151537.db2.gz UVGWEOZKSDPTDS-CYBMUJFWSA-N -1 3 314.385 2.759 20 0 DFADHM CC(C)(C)Oc1ccc(C(=O)Nc2cccc3n[n-]nc32)nc1 ZINC000640380305 430155244 /nfs/dbraw/zinc/15/52/44/430155244.db2.gz XAHBRWWAVOGWQM-UHFFFAOYSA-N -1 3 311.345 2.783 20 0 DFADHM O=C([N-]c1nc2n(n1)CCCC2)c1cc2sccc2s1 ZINC000562644325 430159335 /nfs/dbraw/zinc/15/93/35/430159335.db2.gz VVHQIUDVCGAECW-UHFFFAOYSA-N -1 3 304.400 3.143 20 0 DFADHM CCC(C)(C)N1CCN(C(=O)CC2(CC(=O)[O-])CCCC2)CC1 ZINC000634925470 430162316 /nfs/dbraw/zinc/16/23/16/430162316.db2.gz ZDNBMUGERYINDM-UHFFFAOYSA-N -1 3 324.465 2.744 20 0 DFADHM Cc1scc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)c1C ZINC000637749765 430121710 /nfs/dbraw/zinc/12/17/10/430121710.db2.gz ZTTFNELLOGKDPJ-UHFFFAOYSA-N -1 3 319.430 2.726 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000562434962 430131157 /nfs/dbraw/zinc/13/11/57/430131157.db2.gz RWXZZHZYIYKYHK-SHTZXODSSA-N -1 3 319.430 2.689 20 0 DFADHM CC(C)[C@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@H]1C(C)C ZINC000580724889 430148039 /nfs/dbraw/zinc/14/80/39/430148039.db2.gz LMTDAXANMWKCIP-DOMZBBRYSA-N -1 3 303.406 2.812 20 0 DFADHM Cc1cc(C(=O)Nc2ccn(Cc3ccccc3)n2)ccc1[O-] ZINC000540928636 430182993 /nfs/dbraw/zinc/18/29/93/430182993.db2.gz PPNXELGKVAAHAZ-UHFFFAOYSA-N -1 3 307.353 3.198 20 0 DFADHM O=c1[n-]c(CN2C[C@@H]3C[C@H]2CS3)nc2c3ccccc3oc21 ZINC000581176714 430184640 /nfs/dbraw/zinc/18/46/40/430184640.db2.gz JMMSUPOMGPJMBR-UWVGGRQHSA-N -1 3 313.382 2.771 20 0 DFADHM CC(C)(C)[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(F)(F)F ZINC000563385078 430186138 /nfs/dbraw/zinc/18/61/38/430186138.db2.gz JXMBORODSAYXTI-LBPRGKRZSA-N -1 3 317.311 2.766 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000541871892 430191157 /nfs/dbraw/zinc/19/11/57/430191157.db2.gz BANOSWXBUQESHY-NXEZZACHSA-N -1 3 307.394 2.906 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000541871892 430191162 /nfs/dbraw/zinc/19/11/62/430191162.db2.gz BANOSWXBUQESHY-NXEZZACHSA-N -1 3 307.394 2.906 20 0 DFADHM CC[C@@]1(O)CCN(c2c(C(=O)[O-])cnc3ccc(C)cc32)C1 ZINC000581253288 430192713 /nfs/dbraw/zinc/19/27/13/430192713.db2.gz DHDQKWVQWONVHA-QGZVFWFLSA-N -1 3 300.358 2.593 20 0 DFADHM COC(=O)c1sc([N-]C(=O)c2ocnc2C)nc1C(C)(C)C ZINC000356868558 277174593 /nfs/dbraw/zinc/17/45/93/277174593.db2.gz BXSSNMCSRLPQDM-UHFFFAOYSA-N -1 3 323.374 2.776 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)c2cccc3nn[n-]c32)C1(CC)CC ZINC000541891547 430195676 /nfs/dbraw/zinc/19/56/76/430195676.db2.gz BWXPRXXUAHGPOA-UONOGXRCSA-N -1 3 316.405 2.672 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)c2cccc3[n-]nnc32)C1(CC)CC ZINC000541891547 430195679 /nfs/dbraw/zinc/19/56/79/430195679.db2.gz BWXPRXXUAHGPOA-UONOGXRCSA-N -1 3 316.405 2.672 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)C1(CC)CC ZINC000541891547 430195683 /nfs/dbraw/zinc/19/56/83/430195683.db2.gz BWXPRXXUAHGPOA-UONOGXRCSA-N -1 3 316.405 2.672 20 0 DFADHM COc1ccc(-c2cc(CN3CCC[C@H](C(=O)[O-])C3)on2)cc1 ZINC000635021759 430199902 /nfs/dbraw/zinc/19/99/02/430199902.db2.gz MONZRHVEWSLTSY-ZDUSSCGKSA-N -1 3 316.357 2.647 20 0 DFADHM N[C@@H](CN=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1)C1CC1 ZINC000581419587 430206411 /nfs/dbraw/zinc/20/64/11/430206411.db2.gz CEJDPJJWAFVIFW-NSHDSACASA-N -1 3 313.188 2.615 20 0 DFADHM COc1ccccc1OCCNC(=O)c1cc([O-])ccc1Cl ZINC000581576564 430222083 /nfs/dbraw/zinc/22/20/83/430222083.db2.gz MGKZTKHNFJJLCB-UHFFFAOYSA-N -1 3 321.760 2.863 20 0 DFADHM COc1cccc(COCC(=O)Nc2c(C)cccc2[O-])c1 ZINC000542774327 430223828 /nfs/dbraw/zinc/22/38/28/430223828.db2.gz BBHNMCLKFWRKDP-UHFFFAOYSA-N -1 3 301.342 2.865 20 0 DFADHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1cscn1)C1CC1 ZINC000581485552 430214381 /nfs/dbraw/zinc/21/43/81/430214381.db2.gz BPJYJJBKRIGMPP-CQSZACIVSA-N -1 3 308.428 2.881 20 0 DFADHM Cc1nnc([N-]C(=O)c2ccc(Oc3ccccc3)cn2)s1 ZINC000567437069 430284633 /nfs/dbraw/zinc/28/46/33/430284633.db2.gz UCKCPPRNNWYXNJ-UHFFFAOYSA-N -1 3 312.354 3.286 20 0 DFADHM CC(C)CN(CCc1ccccc1)Cc1cc(C(=O)[O-])nn1C ZINC000635299905 430247432 /nfs/dbraw/zinc/24/74/32/430247432.db2.gz ZHEPQMCXCMWHAW-UHFFFAOYSA-N -1 3 315.417 2.819 20 0 DFADHM COC(=O)c1cnc([N-]C(=O)c2ocnc2C2CC2)c(Cl)c1 ZINC000581892569 430247715 /nfs/dbraw/zinc/24/77/15/430247715.db2.gz PCNFWZWIODOPRP-UHFFFAOYSA-N -1 3 321.720 2.639 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN1CCCC[C@H]1Cc1ccccc1 ZINC000635302007 430248450 /nfs/dbraw/zinc/24/84/50/430248450.db2.gz WCBJVVLIKNMSCN-HNNXBMFYSA-N -1 3 313.401 2.716 20 0 DFADHM C[C@H]1CN(Cc2cc(C(=O)[O-])nn2C)CC[C@@H]1c1ccccc1 ZINC000635302311 430248457 /nfs/dbraw/zinc/24/84/57/430248457.db2.gz JCQZCLGMDYICJK-BBRMVZONSA-N -1 3 313.401 2.744 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2cc(C(=O)[O-])nn2C)C1 ZINC000635302092 430249228 /nfs/dbraw/zinc/24/92/28/430249228.db2.gz GMDIKGFZMLDKBD-UONOGXRCSA-N -1 3 313.401 2.805 20 0 DFADHM CCCN(Cc1cc(C(=O)[O-])nn1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000635303694 430249365 /nfs/dbraw/zinc/24/93/65/430249365.db2.gz XTSDNCUSAYWHHJ-GJZGRUSLSA-N -1 3 323.437 2.534 20 0 DFADHM CCCN(Cc1cc(C(=O)[O-])nn1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000635303696 430249556 /nfs/dbraw/zinc/24/95/56/430249556.db2.gz XTSDNCUSAYWHHJ-LSDHHAIUSA-N -1 3 323.437 2.534 20 0 DFADHM CN(Cc1cc(C(=O)[O-])nn1C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000635310951 430251332 /nfs/dbraw/zinc/25/13/32/430251332.db2.gz LPLSDNMPJXNEFF-NVXWUHKLSA-N -1 3 313.401 2.886 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CNC[C@]1(c2ccccc2)CC1(C)C ZINC000635314528 430252283 /nfs/dbraw/zinc/25/22/83/430252283.db2.gz FBYFFEJQLPHACZ-SFHVURJKSA-N -1 3 313.401 2.576 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN1CCC[C@H](C2CCCCC2)C1 ZINC000635314219 430253125 /nfs/dbraw/zinc/25/31/25/430253125.db2.gz COCAZAUHYIQXAV-AWEZNQCLSA-N -1 3 305.422 2.911 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000635311815 430253749 /nfs/dbraw/zinc/25/37/49/430253749.db2.gz HLNFEUMTMDHWCG-XYPYZODXSA-N -1 3 319.792 2.808 20 0 DFADHM O=C([O-])C1(O)CCN(Cc2ccc(C3CCCC3)cc2)CC1 ZINC000566358111 430254047 /nfs/dbraw/zinc/25/40/47/430254047.db2.gz QUEHNOURRKBQQN-UHFFFAOYSA-N -1 3 303.402 2.756 20 0 DFADHM CC1(C)CC[C@@H](CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)O1 ZINC000566364106 430256284 /nfs/dbraw/zinc/25/62/84/430256284.db2.gz YNTKTKHBXPLBHJ-LBPRGKRZSA-N -1 3 313.344 2.809 20 0 DFADHM Cc1noc([C@H](C)N(C)C(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC000582012518 430259758 /nfs/dbraw/zinc/25/97/58/430259758.db2.gz JWXAEMPFGDXZEZ-JTQLQIEISA-N -1 3 315.373 2.796 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000543748017 430261689 /nfs/dbraw/zinc/26/16/89/430261689.db2.gz DBDMLDJXVVADIA-GFCCVEGCSA-N -1 3 303.280 2.576 20 0 DFADHM C[C@]1(C(=O)Nc2ccc(Br)cc2[O-])CCCOC1 ZINC000543757172 430262968 /nfs/dbraw/zinc/26/29/68/430262968.db2.gz NMYATUNHVSPFGI-ZDUSSCGKSA-N -1 3 314.179 2.910 20 0 DFADHM O=C([O-])CCCCCN1CCO[C@@H](CCc2ccccc2)C1 ZINC000582068033 430265602 /nfs/dbraw/zinc/26/56/02/430265602.db2.gz TZOGBNVEFLYXAY-KRWDZBQOSA-N -1 3 305.418 2.965 20 0 DFADHM O=C(CNC(=O)C1CCCCC1)Nc1c([O-])cccc1Cl ZINC000582079185 430267501 /nfs/dbraw/zinc/26/75/01/430267501.db2.gz VDOZINXKTGODQY-UHFFFAOYSA-N -1 3 310.781 2.681 20 0 DFADHM O=C(CC1CCN(CC(F)(F)F)CC1)Nc1ccccc1[O-] ZINC000635402926 430268870 /nfs/dbraw/zinc/26/88/70/430268870.db2.gz WTVYYERDINQINS-UHFFFAOYSA-N -1 3 316.323 2.995 20 0 DFADHM CC(C)/C=C/c1cn(CC(=O)[N-]c2cc(C(C)(C)C)no2)nn1 ZINC000640860797 430272137 /nfs/dbraw/zinc/27/21/37/430272137.db2.gz PEAKHFWUWOCVNZ-VOTSOKGWSA-N -1 3 317.393 2.872 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(F)cn1 ZINC000544196941 430276218 /nfs/dbraw/zinc/27/62/18/430276218.db2.gz UQBLSPRSTPYPGB-UHFFFAOYSA-N -1 3 311.110 2.941 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)n2cc(-c3sccc3C)nn2)on1 ZINC000640899597 430278963 /nfs/dbraw/zinc/27/89/63/430278963.db2.gz BLRNAGODIIQUDN-SNVBAGLBSA-N -1 3 317.374 2.811 20 0 DFADHM CCc1ccc(-c2noc(-c3cc(=O)[n-]c(N(C)C)n3)n2)cc1 ZINC000567182316 430279193 /nfs/dbraw/zinc/27/91/93/430279193.db2.gz FXBKLHFPVVVBPJ-UHFFFAOYSA-N -1 3 311.345 2.528 20 0 DFADHM Cc1cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)ccc1[O-] ZINC000542787056 430225448 /nfs/dbraw/zinc/22/54/48/430225448.db2.gz ZHGVPAIJXMXLER-UHFFFAOYSA-N -1 3 313.353 2.744 20 0 DFADHM CC[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])CC(=O)N1 ZINC000544551637 430286267 /nfs/dbraw/zinc/28/62/67/430286267.db2.gz DIBXBQXISSWYQV-MWLCHTKSSA-N -1 3 310.781 2.597 20 0 DFADHM O=c1cc(-c2nc(Cc3cccs3)no2)nc(C2CC2)[n-]1 ZINC000635528569 430299168 /nfs/dbraw/zinc/29/91/68/430299168.db2.gz PUZPONHKVJPAGL-UHFFFAOYSA-N -1 3 300.343 2.762 20 0 DFADHM C[C@@H]1CCN(Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C(=O)[O-] ZINC000582420096 430299482 /nfs/dbraw/zinc/29/94/82/430299482.db2.gz AHPWPKGKSBBUBT-YGRLFVJLSA-N -1 3 309.793 2.818 20 0 DFADHM C[C@H]1CCN(Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C(=O)[O-] ZINC000582420093 430299759 /nfs/dbraw/zinc/29/97/59/430299759.db2.gz AHPWPKGKSBBUBT-HZMBPMFUSA-N -1 3 309.793 2.818 20 0 DFADHM COc1ccc(CCCN(C)c2ccncc2C(=O)[O-])cc1 ZINC000567981565 430299951 /nfs/dbraw/zinc/29/99/51/430299951.db2.gz PMNYTTOYSNLFLT-UHFFFAOYSA-N -1 3 300.358 2.857 20 0 DFADHM CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC000545285762 430313452 /nfs/dbraw/zinc/31/34/52/430313452.db2.gz HOYQAPLLKOUULF-ZDUSSCGKSA-N -1 3 310.369 2.657 20 0 DFADHM CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(Cl)cc1[O-] ZINC000568125669 430318133 /nfs/dbraw/zinc/31/81/33/430318133.db2.gz AGKFRGUGROHRMF-CYBMUJFWSA-N 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/nfs/dbraw/zinc/34/58/19/430345819.db2.gz GPKTYSHPVFSNQS-UHFFFAOYSA-N -1 3 302.349 2.801 20 0 DFADHM O=c1cc(CN2CCC=C(c3ccccn3)C2)nc(C2CC2)[n-]1 ZINC000582913893 430347092 /nfs/dbraw/zinc/34/70/92/430347092.db2.gz XWUFHNNNRWHXQX-UHFFFAOYSA-N -1 3 308.385 2.744 20 0 DFADHM O=S(=O)([N-]C1(Cc2cccc(F)c2)CCC1)c1ccccn1 ZINC000568343523 430347585 /nfs/dbraw/zinc/34/75/85/430347585.db2.gz CWSJZBHXEIAESU-UHFFFAOYSA-N -1 3 320.389 2.664 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@@]12CCOC2 ZINC000546601277 430356904 /nfs/dbraw/zinc/35/69/04/430356904.db2.gz HKFLMXHPDIJXAO-TVQRCGJNSA-N -1 3 312.163 2.520 20 0 DFADHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccoc1C(=O)[O-] ZINC000583030179 430357292 /nfs/dbraw/zinc/35/72/92/430357292.db2.gz KEIVSHAUUKMORT-IAQYHMDHSA-N -1 3 301.342 2.802 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](C)c2nnc(C)o2)c([O-])c1 ZINC000583118513 430365791 /nfs/dbraw/zinc/36/57/91/430365791.db2.gz PYNMHQYZTXDHPA-SNVBAGLBSA-N -1 3 319.361 2.754 20 0 DFADHM 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AQBBUJLXADMXFO-UHFFFAOYSA-N -1 3 303.749 2.601 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000568957010 430407923 /nfs/dbraw/zinc/40/79/23/430407923.db2.gz QVVJCRZPLRHAFI-SFGNSQDASA-N -1 3 324.174 2.708 20 0 DFADHM CCC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000547651463 430408348 /nfs/dbraw/zinc/40/83/48/430408348.db2.gz FHLJJXORUHFWMA-BBRMVZONSA-N -1 3 318.417 2.597 20 0 DFADHM CC1(C)[C@@H](CS(=O)(=O)[N-]CC2(C(F)(F)F)CC2)C1(F)F ZINC000641491418 430410550 /nfs/dbraw/zinc/41/05/50/430410550.db2.gz LOQSBAMMMJKBRV-SSDOTTSWSA-N -1 3 321.311 2.540 20 0 DFADHM CC(C)n1cc([N-]S(=O)(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)cn1 ZINC000641683376 430441275 /nfs/dbraw/zinc/44/12/75/430441275.db2.gz OFXCUUAWGVHUSF-HUUCEWRRSA-N -1 3 323.393 2.901 20 0 DFADHM CCSc1cccc([N-]S(=O)(=O)C2(COC)CC2)c1 ZINC000641682594 430441826 /nfs/dbraw/zinc/44/18/26/430441826.db2.gz HCCMKZPZJJNMBL-UHFFFAOYSA-N -1 3 301.433 2.719 20 0 DFADHM C[C@@H](Cc1ccccc1F)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 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CN(CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1)CC(C)(C)C ZINC000635959027 430421689 /nfs/dbraw/zinc/42/16/89/430421689.db2.gz AWEXVNLOAOLDBS-UHFFFAOYSA-N -1 3 316.405 2.699 20 0 DFADHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000641599333 430425738 /nfs/dbraw/zinc/42/57/38/430425738.db2.gz UDWMDXXZHKQIFM-JTQLQIEISA-N -1 3 322.377 2.571 20 0 DFADHM COc1ccc2ncc(C(=O)[O-])c(N3CC[C@@H](SC)C3)c2c1 ZINC000569124355 430426311 /nfs/dbraw/zinc/42/63/11/430426311.db2.gz SRWQMCHXCWXIAH-LLVKDONJSA-N -1 3 318.398 2.883 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2cc(C)ccc2OC)c1 ZINC000642079638 430497708 /nfs/dbraw/zinc/49/77/08/430497708.db2.gz NNOHWQAXZHRTKN-UHFFFAOYSA-N -1 3 301.342 2.648 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1(c3ccccc3)CCCC1)C2 ZINC000636284070 430501616 /nfs/dbraw/zinc/50/16/16/430501616.db2.gz SUMHKOSQLDCGPM-UHFFFAOYSA-N -1 3 323.396 2.845 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)C2 ZINC000636283932 430501860 /nfs/dbraw/zinc/50/18/60/430501860.db2.gz 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CC[C@H](C)c1ccc(NC(=O)CSCCc2nnn[n-]2)cc1 ZINC000603335819 430549021 /nfs/dbraw/zinc/54/90/21/430549021.db2.gz YIJMBSBTEBUUCA-NSHDSACASA-N -1 3 319.434 2.628 20 0 DFADHM CC[C@H](C)c1ccc(NC(=O)CSCCc2nn[n-]n2)cc1 ZINC000603335819 430549024 /nfs/dbraw/zinc/54/90/24/430549024.db2.gz YIJMBSBTEBUUCA-NSHDSACASA-N -1 3 319.434 2.628 20 0 DFADHM O=C(N[C@H](c1ccccc1)C(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570526551 430551081 /nfs/dbraw/zinc/55/10/81/430551081.db2.gz AJINQJLDDASSLH-CYBMUJFWSA-N -1 3 319.311 2.796 20 0 DFADHM CO[C@@H]1C[C@H](CC(=O)[O-])N(Cc2cccc(OC(C)C)c2)C1 ZINC000570522319 430551219 /nfs/dbraw/zinc/55/12/19/430551219.db2.gz ZUYRZHNMPRMQQM-GDBMZVCRSA-N -1 3 307.390 2.538 20 0 DFADHM O=S(=O)([N-]CCCF)c1cc(Cl)ccc1OC(F)F ZINC000643210356 430558023 /nfs/dbraw/zinc/55/80/23/430558023.db2.gz SRFVXNNDBUPHTO-UHFFFAOYSA-N -1 3 317.716 2.579 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCCCC23CCCC3)c1 ZINC000643222737 430560166 /nfs/dbraw/zinc/56/01/66/430560166.db2.gz FUTQIHSVANQNLL-CYBMUJFWSA-N -1 3 311.451 2.684 20 0 DFADHM C[C@@H](CCCC(F)(F)F)NC(=O)c1cccc2nn[n-]c21 ZINC000570656881 430562921 /nfs/dbraw/zinc/56/29/21/430562921.db2.gz YFKLLXBGMMVLEP-QMMMGPOBSA-N -1 3 300.284 2.809 20 0 DFADHM C[C@@H](CCCC(F)(F)F)NC(=O)c1cccc2[n-]nnc21 ZINC000570656881 430562924 /nfs/dbraw/zinc/56/29/24/430562924.db2.gz YFKLLXBGMMVLEP-QMMMGPOBSA-N -1 3 300.284 2.809 20 0 DFADHM C[C@@H](CCCC(F)(F)F)NC(=O)c1cccc2n[n-]nc21 ZINC000570656881 430562925 /nfs/dbraw/zinc/56/29/25/430562925.db2.gz YFKLLXBGMMVLEP-QMMMGPOBSA-N -1 3 300.284 2.809 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N1CC(C2CC2)C1 ZINC000643288339 430574988 /nfs/dbraw/zinc/57/49/88/430574988.db2.gz KVXABHBKRYQOEJ-UHFFFAOYSA-N -1 3 310.191 2.566 20 0 DFADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1coc(C2CCCC2)n1 ZINC000615138013 430579650 /nfs/dbraw/zinc/57/96/50/430579650.db2.gz RRLVGKMFHLYTDQ-UHFFFAOYSA-N -1 3 312.329 3.166 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1O ZINC000552069432 430583368 /nfs/dbraw/zinc/58/33/68/430583368.db2.gz RQMSBVCUQHHFES-UHFFFAOYSA-N -1 3 322.320 2.689 20 0 DFADHM C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1c([O-])cccc1Cl ZINC000552781675 430602063 /nfs/dbraw/zinc/60/20/63/430602063.db2.gz RNZGFYUGMRDEGZ-GHMZBOCLSA-N -1 3 313.781 2.958 20 0 DFADHM CCc1nc(C[N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)cs1 ZINC000570915495 430589199 /nfs/dbraw/zinc/58/91/99/430589199.db2.gz KHRVHZQJWUJAOC-VIFPVBQESA-N -1 3 324.418 2.560 20 0 DFADHM CC(C)CCc1nnc([N-]C(=O)c2nc3c(s2)CCC3)s1 ZINC000617093097 430589872 /nfs/dbraw/zinc/58/98/72/430589872.db2.gz FRUBDRIALINCIE-UHFFFAOYSA-N -1 3 322.459 3.324 20 0 DFADHM O=c1[n-]c([C@H]2CCCCN2CCCCC2CCOCC2)n[nH]1 ZINC000571034553 430598210 /nfs/dbraw/zinc/59/82/10/430598210.db2.gz KRYBINHBCJTFCX-CQSZACIVSA-N -1 3 308.426 2.634 20 0 DFADHM Cc1cccc(C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1[O-] ZINC000552455287 430598618 /nfs/dbraw/zinc/59/86/18/430598618.db2.gz SCQGDSJMPUEJGI-HOTGVXAUSA-N -1 3 322.408 2.909 20 0 DFADHM COCc1nc(C(=O)[N-]c2ccc(OC(F)F)cc2F)co1 ZINC000554755166 430651112 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CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2cncc([O-])c2)C12CCCC2 ZINC000553143351 430608987 /nfs/dbraw/zinc/60/89/87/430608987.db2.gz HRBOTVLFLMMJBV-HZPDHXFCSA-N -1 3 318.417 2.526 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553127637 430609297 /nfs/dbraw/zinc/60/92/97/430609297.db2.gz LBNDISHDUUOEJQ-SCDSUCTJSA-N -1 3 301.390 2.853 20 0 DFADHM O=S(=O)([N-]CC1(c2ccncc2)CCCC1)c1cccs1 ZINC000571191940 430611214 /nfs/dbraw/zinc/61/12/14/430611214.db2.gz JWBYJXNWYKBOFM-UHFFFAOYSA-N -1 3 322.455 2.933 20 0 DFADHM COc1ccc(CN(CC(=O)[O-])Cc2ccc(F)cc2)cc1 ZINC000571197048 430612117 /nfs/dbraw/zinc/61/21/17/430612117.db2.gz XUJSZXSOWMBIFE-UHFFFAOYSA-N -1 3 303.333 2.921 20 0 DFADHM CC(C)[C@@H]1N(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC12CCC2 ZINC000571418637 430627952 /nfs/dbraw/zinc/62/79/52/430627952.db2.gz ZJIRHUQUJZEGLJ-AWEZNQCLSA-N -1 3 301.390 2.710 20 0 DFADHM N=C1Nc2nc3ccccc3n2[C@@H](c2cccc([O-])c2Cl)N1 ZINC000639406283 430635736 /nfs/dbraw/zinc/63/57/36/430635736.db2.gz JXMKMXGIXVCTOM-ZDUSSCGKSA-N -1 3 313.748 2.892 20 0 DFADHM COc1cc2c(cc1CN1CCC[C@H](C)[C@H]1C(=O)[O-])O[C@@H](C)C2 ZINC000571551363 430636986 /nfs/dbraw/zinc/63/69/86/430636986.db2.gz JAYGJMLAIDCPGW-PRXAMGSTSA-N -1 3 319.401 2.704 20 0 DFADHM CCc1nn(C)cc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000643898644 430641907 /nfs/dbraw/zinc/64/19/07/430641907.db2.gz XHHXUZTXUQJRDN-OAHLLOKOSA-N -1 3 321.808 2.860 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])C1(C(=O)C2CC2)CC1 ZINC000571630186 430642051 /nfs/dbraw/zinc/64/20/51/430642051.db2.gz RGMWJTZFPOFXPG-UHFFFAOYSA-N -1 3 324.174 2.853 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@@H](n3ccnc3C)C2)ccc1[O-] ZINC000643974934 430645912 /nfs/dbraw/zinc/64/59/12/430645912.db2.gz BKMINSQWSJARLO-MRXNPFEDSA-N -1 3 313.401 2.937 20 0 DFADHM O=C(Nc1ccc2c(c1)OCCCO2)c1cc(C(F)F)[n-]n1 ZINC000639466604 430646886 /nfs/dbraw/zinc/64/68/86/430646886.db2.gz XIRJLCLOCFZMHQ-UHFFFAOYSA-N -1 3 309.272 2.761 20 0 DFADHM COCc1cc(Sc2n[n-]c(-c3ccccc3F)n2)ncn1 ZINC000554640015 430648387 /nfs/dbraw/zinc/64/83/87/430648387.db2.gz GHWONQIOJCYVDA-UHFFFAOYSA-N -1 3 317.349 2.698 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cn1 ZINC000554678025 430648395 /nfs/dbraw/zinc/64/83/95/430648395.db2.gz XLTBWFHGNYPIEZ-JTQLQIEISA-N -1 3 310.341 2.645 20 0 DFADHM CSc1ccncc1[N-]C(=O)c1cc(CN2CCCC2)on1 ZINC000644015476 430649393 /nfs/dbraw/zinc/64/93/93/430649393.db2.gz LMCRXASZOAYVRM-UHFFFAOYSA-N -1 3 318.402 2.640 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000555510710 430667929 /nfs/dbraw/zinc/66/79/29/430667929.db2.gz WIHWCJWBHFMPJK-UHFFFAOYSA-N -1 3 314.128 2.755 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000555510710 430667933 /nfs/dbraw/zinc/66/79/33/430667933.db2.gz WIHWCJWBHFMPJK-UHFFFAOYSA-N -1 3 314.128 2.755 20 0 DFADHM Cc1ccc(-c2cnc(CN3CC[C@@H](C(=O)[O-])[C@@H]3C)o2)cc1 ZINC000572048788 430668500 /nfs/dbraw/zinc/66/85/00/430668500.db2.gz HQTQCYNGRPRJDX-GXTWGEPZSA-N -1 3 300.358 2.945 20 0 DFADHM Cc1ccc(-c2cnc(CN3CC[C@@H](C(=O)[O-])[C@H]3C)o2)cc1 ZINC000572048791 430668956 /nfs/dbraw/zinc/66/89/56/430668956.db2.gz HQTQCYNGRPRJDX-TZMCWYRMSA-N -1 3 300.358 2.945 20 0 DFADHM COc1cc(C(=O)Nc2c(C)cccc2O)cc(OC)c1[O-] ZINC000571934928 430662431 /nfs/dbraw/zinc/66/24/31/430662431.db2.gz NTXPDENGDCJNFV-UHFFFAOYSA-N -1 3 303.314 2.676 20 0 DFADHM O=C(c1cccc([O-])c1)N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000572376459 430684986 /nfs/dbraw/zinc/68/49/86/430684986.db2.gz KEMVUCJNKONNFC-HZPDHXFCSA-N -1 3 308.381 2.601 20 0 DFADHM CC(C)Oc1ccc([C@@H](C)NC(=O)Cc2cncc([O-])c2)cc1 ZINC000572496272 430689253 /nfs/dbraw/zinc/68/92/53/430689253.db2.gz HBKIPVZMHPROND-CYBMUJFWSA-N -1 3 314.385 2.994 20 0 DFADHM CC1(C)CN(C(=O)c2cccc([O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000293760138 278324501 /nfs/dbraw/zinc/32/45/01/278324501.db2.gz QBBQOTOXIZRPNU-NSHDSACASA-N -1 3 303.280 2.574 20 0 DFADHM CC(=O)c1cccc(NC(=O)Cn2nc(C)c(Cl)c2C)c1[O-] ZINC000556891450 430695724 /nfs/dbraw/zinc/69/57/24/430695724.db2.gz 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301.390 2.778 20 0 DFADHM COCCOCCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436539093 297010339 /nfs/dbraw/zinc/01/03/39/297010339.db2.gz VBLYSDVPCNCQLB-UHFFFAOYSA-N -1 3 309.406 2.689 20 0 DFADHM Cc1ccc([C@H](CNC(=O)c2cc(F)ccc2[O-])N(C)C)cc1 ZINC000436538763 297010688 /nfs/dbraw/zinc/01/06/88/297010688.db2.gz KAGISRIGKHJQTM-INIZCTEOSA-N -1 3 316.376 2.872 20 0 DFADHM CC(C)(CNC(=O)c1ccccc1[O-])c1ccc2c(c1)OCO2 ZINC000436538251 297010715 /nfs/dbraw/zinc/01/07/15/297010715.db2.gz HUERMDCXFVLVSL-UHFFFAOYSA-N -1 3 313.353 2.829 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2COc3ccc(Cl)cc32)c([O-])c1 ZINC000436591132 297015836 /nfs/dbraw/zinc/01/58/36/297015836.db2.gz VSQMMQNARJEFCS-CYBMUJFWSA-N -1 3 319.744 2.918 20 0 DFADHM CCOC(=O)CN(C(=O)c1cc2c(cc1[O-])CCCC2)C(C)C ZINC000436545795 297011229 /nfs/dbraw/zinc/01/12/29/297011229.db2.gz OMBDZSOFIJLDOT-UHFFFAOYSA-N -1 3 319.401 2.685 20 0 DFADHM CN(C)CCN(C(=O)c1ccc(Cl)cc1[O-])C1CCCC1 ZINC000436549460 297011458 /nfs/dbraw/zinc/01/14/58/297011458.db2.gz 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O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000436596751 297016623 /nfs/dbraw/zinc/01/66/23/297016623.db2.gz RQCZXCHTYDFCQY-RBUKOAKNSA-N -1 3 323.392 2.659 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc(-n3ccnn3)c2)c([O-])c1C ZINC000436596688 297016695 /nfs/dbraw/zinc/01/66/95/297016695.db2.gz ROAFRKMBJRTVSS-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM CC(C)c1ccc(C(=O)NCCc2csc(=O)[nH]2)c([O-])c1 ZINC000436596175 297016796 /nfs/dbraw/zinc/01/67/96/297016796.db2.gz OXYXIRQQEWGLBR-UHFFFAOYSA-N -1 3 306.387 2.650 20 0 DFADHM C[C@H](CO)[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436599275 297017137 /nfs/dbraw/zinc/01/71/37/297017137.db2.gz XBJJZMHJEIJKSH-KGLIPLIRSA-N -1 3 313.397 2.730 20 0 DFADHM Cc1ccc(C(=O)NC[C@@]2(C)OCCc3sccc32)c([O-])c1 ZINC000436599686 297017286 /nfs/dbraw/zinc/01/72/86/297017286.db2.gz YKAPWPIXMCJMFV-QGZVFWFLSA-N -1 3 317.410 2.980 20 0 DFADHM O=C(N[C@H](CO)C1CCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436604584 297017713 /nfs/dbraw/zinc/01/77/13/297017713.db2.gz DCTWNWGDKZJDAB-MRXNPFEDSA-N -1 3 303.402 2.552 20 0 DFADHM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1ccc(O)cc1[O-] ZINC000436608520 297017838 /nfs/dbraw/zinc/01/78/38/297017838.db2.gz QOQVADPGSZIALF-AWEZNQCLSA-N -1 3 317.316 2.881 20 0 DFADHM COc1ccc(C(=O)Nc2cc(Br)ccc2[O-])nc1 ZINC000436628940 297019342 /nfs/dbraw/zinc/01/93/42/297019342.db2.gz SUOCMJYVZSSJQV-UHFFFAOYSA-N -1 3 323.146 2.811 20 0 DFADHM CC[C@](C)(NC(=O)c1ccc([O-])c(OC)c1)c1nccs1 ZINC000436635698 297019765 /nfs/dbraw/zinc/01/97/65/297019765.db2.gz QQLIILBAYIAHOY-HNNXBMFYSA-N -1 3 306.387 2.913 20 0 DFADHM O=C(Nc1ccc(Oc2cccnc2)nc1)c1c([O-])cccc1O ZINC000436649194 297021269 /nfs/dbraw/zinc/02/12/69/297021269.db2.gz TXYAADSPMKYDOB-UHFFFAOYSA-N -1 3 323.308 2.932 20 0 DFADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc([S@@](C)=O)cc1 ZINC000436645665 297020556 /nfs/dbraw/zinc/02/05/56/297020556.db2.gz CIGPLYHUCHOPEE-WIUDPPPLSA-N -1 3 303.383 2.621 20 0 DFADHM CC(C)(C)Oc1cccc(CNC(=O)c2c([O-])cccc2O)n1 ZINC000436647911 297020929 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ZINC000436667180 297023196 /nfs/dbraw/zinc/02/31/96/297023196.db2.gz WWODRMYHGZCZQA-UHFFFAOYSA-N -1 3 301.367 2.855 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000436664391 297023263 /nfs/dbraw/zinc/02/32/63/297023263.db2.gz OGQMWLQWLUXDPZ-KBPBESRZSA-N -1 3 321.417 2.974 20 0 DFADHM COc1cccc(C(=O)NCCCOc2ccccc2C)c1[O-] ZINC000436670784 297023626 /nfs/dbraw/zinc/02/36/26/297023626.db2.gz HOXPHVQHOCEZFZ-UHFFFAOYSA-N -1 3 315.369 2.908 20 0 DFADHM COc1cccc(C(=O)Nc2nccn2Cc2ccccc2)c1[O-] ZINC000436670647 297023727 /nfs/dbraw/zinc/02/37/27/297023727.db2.gz ROMIRSLESWYMQY-UHFFFAOYSA-N -1 3 323.352 2.898 20 0 DFADHM COc1cccc(C(=O)Nc2nc3ccc(F)cc3n2C)c1[O-] ZINC000436696670 297025427 /nfs/dbraw/zinc/02/54/27/297025427.db2.gz PTRXSYIUYUIYBC-UHFFFAOYSA-N -1 3 315.304 2.679 20 0 DFADHM COc1cccc(C(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)c1[O-] ZINC000436696014 297025537 /nfs/dbraw/zinc/02/55/37/297025537.db2.gz HHXFOIYGNBPKGR-KBPBESRZSA-N -1 3 307.390 2.723 20 0 DFADHM C[C@H](CNC(=O)c1ccc(Cl)cc1[O-])N1CCC(C)CC1 ZINC000436696534 297025888 /nfs/dbraw/zinc/02/58/88/297025888.db2.gz HRONBGORSRUPQP-GFCCVEGCSA-N -1 3 310.825 2.896 20 0 DFADHM C/C=C\C[C@@H](NC(=O)c1ccc([O-])c(CC)c1)C(=O)OCC ZINC000436703102 297026064 /nfs/dbraw/zinc/02/60/64/297026064.db2.gz GBIHVMUTZMFPBV-HJHHMULASA-N -1 3 305.374 2.582 20 0 DFADHM C/C=C/C[C@@H](NC(=O)c1ccc([O-])c(CC)c1)C(=O)OCC ZINC000436703099 297026139 /nfs/dbraw/zinc/02/61/39/297026139.db2.gz GBIHVMUTZMFPBV-BTKRWWFXSA-N -1 3 305.374 2.582 20 0 DFADHM COc1ccc(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)c([O-])c1 ZINC000436698443 297026229 /nfs/dbraw/zinc/02/62/29/297026229.db2.gz MNHNLGFUCMUARA-JTQLQIEISA-N -1 3 311.341 2.768 20 0 DFADHM CCc1nc(NC(=O)c2ccc(C)cc2[O-])sc1C(=O)OC ZINC000436706427 297026644 /nfs/dbraw/zinc/02/66/44/297026644.db2.gz PNLCQUKKKRQRJE-UHFFFAOYSA-N -1 3 320.370 2.758 20 0 DFADHM Cc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c([O-])c1 ZINC000436704719 297026740 /nfs/dbraw/zinc/02/67/40/297026740.db2.gz MQWCNWIMAJYULK-INIZCTEOSA-N -1 3 301.386 2.732 20 0 DFADHM CCc1ccc([C@H](CO)NC(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000436705393 297026762 /nfs/dbraw/zinc/02/67/62/297026762.db2.gz NDXSLMOXBPWCFP-KRWDZBQOSA-N -1 3 313.397 2.980 20 0 DFADHM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc3cncn3c2)c1 ZINC000436651519 297021390 /nfs/dbraw/zinc/02/13/90/297021390.db2.gz GAAQDBOXVCXKER-UHFFFAOYSA-N -1 3 309.325 2.885 20 0 DFADHM Cc1ccc(C(=O)NCCN2CCc3ccccc3C2)c([O-])c1C ZINC000436746964 297031027 /nfs/dbraw/zinc/03/10/27/297031027.db2.gz IWTAJCKZXQLMNR-UHFFFAOYSA-N -1 3 324.424 2.797 20 0 DFADHM COc1ccc(C(=O)NCCCSc2ccccn2)c([O-])c1 ZINC000436710370 297027497 /nfs/dbraw/zinc/02/74/97/297027497.db2.gz SPMYOCZUWVLZKA-UHFFFAOYSA-N -1 3 318.398 2.708 20 0 DFADHM CCC[C@@H](CNC(=O)c1ccc([O-])c(CC)c1)C(=O)OCC ZINC000436710427 297027514 /nfs/dbraw/zinc/02/75/14/297027514.db2.gz UDUZVAGASJXVLW-AWEZNQCLSA-N -1 3 307.390 2.664 20 0 DFADHM C[C@@H]1CCC[C@H](CN2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436718285 297027827 /nfs/dbraw/zinc/02/78/27/297027827.db2.gz KGARGGPYXTZEFT-CVEARBPZSA-N -1 3 316.445 2.976 20 0 DFADHM COc1cccc([C@H](C)NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000436757037 297032073 /nfs/dbraw/zinc/03/20/73/297032073.db2.gz FXIYQEGQHDNOOC-NSHDSACASA-N -1 3 301.342 2.900 20 0 DFADHM CN(C)[C@H](CNC(=O)c1ccccc1[O-])c1c(F)cccc1F ZINC000436719820 297027978 /nfs/dbraw/zinc/02/79/78/297027978.db2.gz QINFOVUKKBYUCZ-CQSZACIVSA-N -1 3 320.339 2.703 20 0 DFADHM COc1cccc(C(=O)N[C@@H](C)c2c(F)cncc2F)c1[O-] ZINC000436714557 297028020 /nfs/dbraw/zinc/02/80/20/297028020.db2.gz MPRPRPSKZFWCSH-QMMMGPOBSA-N -1 3 308.284 2.565 20 0 DFADHM C[C@H]1CCC[C@]1(O)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436728672 297028793 /nfs/dbraw/zinc/02/87/93/297028793.db2.gz NHPCDWITIIZWFW-SGTLLEGYSA-N -1 3 303.402 2.552 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2ccc(OC(F)F)nc2)c1[O-] ZINC000436726028 297029061 /nfs/dbraw/zinc/02/90/61/297029061.db2.gz UQPCWNXAWZKMPW-UHFFFAOYSA-N -1 3 324.283 2.958 20 0 DFADHM CCSc1nnc(NC(=O)c2cccc(OC)c2[O-])s1 ZINC000436730095 297029336 /nfs/dbraw/zinc/02/93/36/297029336.db2.gz FCWQUJPYRRAUJY-UHFFFAOYSA-N -1 3 311.388 2.617 20 0 DFADHM CC(C)[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCN1C ZINC000436729955 297029393 /nfs/dbraw/zinc/02/93/93/297029393.db2.gz URZKOYKUDWSICU-KRWDZBQOSA-N -1 3 316.445 2.683 20 0 DFADHM CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436732276 297029405 /nfs/dbraw/zinc/02/94/05/297029405.db2.gz TXFPHVZRUGDBKR-CVEARBPZSA-N -1 3 313.353 2.782 20 0 DFADHM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436732280 297029523 /nfs/dbraw/zinc/02/95/23/297029523.db2.gz TXFPHVZRUGDBKR-HZPDHXFCSA-N -1 3 313.353 2.782 20 0 DFADHM Cn1nnc2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccc21 ZINC000436735969 297029872 /nfs/dbraw/zinc/02/98/72/297029872.db2.gz DZESOQUXQUCNOK-UHFFFAOYSA-N -1 3 302.721 2.580 20 0 DFADHM Cc1cccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c1[O-] ZINC000436734014 297029939 /nfs/dbraw/zinc/02/99/39/297029939.db2.gz JIVFREJZUGORCW-MRXNPFEDSA-N -1 3 316.376 2.872 20 0 DFADHM CCc1nc(C(=O)Nc2ccccc2[O-])nn1-c1ccccc1 ZINC000436747489 297030821 /nfs/dbraw/zinc/03/08/21/297030821.db2.gz BFDGETJDHGBMNE-UHFFFAOYSA-N -1 3 308.341 2.788 20 0 DFADHM COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(C)ccc1[O-] ZINC000436747759 297030835 /nfs/dbraw/zinc/03/08/35/297030835.db2.gz CEWYFNIXNQAQII-GUYCJALGSA-N -1 3 305.374 2.552 20 0 DFADHM COc1ccc(C(=O)NCc2nc3c(s2)CCCC3)c([O-])c1 ZINC000436775316 297033290 /nfs/dbraw/zinc/03/32/90/297033290.db2.gz PSYZGRMQZLDUGK-UHFFFAOYSA-N -1 3 318.398 2.666 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC[C@H](CO)CC2)c([O-])c1 ZINC000436781492 297034084 /nfs/dbraw/zinc/03/40/84/297034084.db2.gz UIQSDOWYJSCEHX-AWEZNQCLSA-N -1 3 321.417 2.806 20 0 DFADHM Cc1ccc(C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c([O-])c1C ZINC000436787051 297034385 /nfs/dbraw/zinc/03/43/85/297034385.db2.gz MBESBJNHDMUSDK-WMZOPIPTSA-N -1 3 301.386 2.793 20 0 DFADHM CCc1ccc(C(=O)N[C@H](C)c2nnc(C(C)C)[nH]2)c([O-])c1 ZINC000436826513 297037520 /nfs/dbraw/zinc/03/75/20/297037520.db2.gz AJUDJPKSHIDREO-SNVBAGLBSA-N -1 3 302.378 2.687 20 0 DFADHM Cn1ccnc1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436805052 297035642 /nfs/dbraw/zinc/03/56/42/297035642.db2.gz CVGDRXNOIQRVGQ-UHFFFAOYSA-N -1 3 321.380 2.647 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc(N3CCC3=O)c2)c([O-])c1 ZINC000436804065 297035876 /nfs/dbraw/zinc/03/58/76/297035876.db2.gz AONOMJSKTZTCCU-UHFFFAOYSA-N -1 3 310.353 2.944 20 0 DFADHM CCC1(CC)CN(C(=O)c2ccc(C)c(C)c2[O-])CC[S@@]1=O ZINC000436825752 297037441 /nfs/dbraw/zinc/03/74/41/297037441.db2.gz MDRZAVIOHWXBPU-QFIPXVFZSA-N -1 3 323.458 2.772 20 0 DFADHM Cc1[nH]nc2nc(C)cc(C(=O)Nc3cc(F)ccc3[O-])c12 ZINC000436813552 297036706 /nfs/dbraw/zinc/03/67/06/297036706.db2.gz PHLLHRBQWYMXID-UHFFFAOYSA-N -1 3 300.293 2.672 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](C(=O)OC)c2cccs2)c([O-])c1 ZINC000436823391 297037239 /nfs/dbraw/zinc/03/72/39/297037239.db2.gz APCKADUYISQIDV-CQSZACIVSA-N -1 3 319.382 2.660 20 0 DFADHM Cc1ccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c([O-])c1C ZINC000436825680 297037610 /nfs/dbraw/zinc/03/76/10/297037610.db2.gz HEVIFJJHEVKZOG-UHFFFAOYSA-N -1 3 311.341 2.521 20 0 DFADHM CCOC(=O)C[C@@H](C)N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436827098 297037679 /nfs/dbraw/zinc/03/76/79/297037679.db2.gz MSZSDCSYLVHDCB-GFCCVEGCSA-N -1 3 307.390 2.929 20 0 DFADHM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1c([O-])cccc1O ZINC000436825159 297037696 /nfs/dbraw/zinc/03/76/96/297037696.db2.gz JPJVVLFRIJNKDG-UHFFFAOYSA-N -1 3 311.259 2.787 20 0 DFADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])cnn1 ZINC000436832868 297038548 /nfs/dbraw/zinc/03/85/48/297038548.db2.gz SXHZIHXJTAVBQR-UHFFFAOYSA-N -1 3 308.135 2.505 20 0 DFADHM CCc1ccc(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)c([O-])c1 ZINC000436835305 297038639 /nfs/dbraw/zinc/03/86/39/297038639.db2.gz VIFSRQIPQTYLSW-ZFWWWQNUSA-N -1 3 302.418 2.653 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)CC(C)(C)C2)c1 ZINC000436837079 297038730 /nfs/dbraw/zinc/03/87/30/297038730.db2.gz NMOCBKVCLLYLPS-LLVKDONJSA-N -1 3 304.390 2.859 20 0 DFADHM CCc1ccc(C(=O)N[C@H](CO)c2cccc(F)c2)c([O-])c1 ZINC000436841910 297039365 /nfs/dbraw/zinc/03/93/65/297039365.db2.gz BQZJXYXFDSFZPO-OAHLLOKOSA-N -1 3 303.333 2.557 20 0 DFADHM Cc1ccc(C[C@H](CO)NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436848922 297039513 /nfs/dbraw/zinc/03/95/13/297039513.db2.gz XLQSXHKPEZVJEC-MRXNPFEDSA-N -1 3 313.397 2.651 20 0 DFADHM O=C(N[C@@H](CO)CC1CCC1)c1ccc2c(c1[O-])CCCC2 ZINC000436843414 297039581 /nfs/dbraw/zinc/03/95/81/297039581.db2.gz ZLDIXHDZBZGXJC-CQSZACIVSA-N -1 3 303.402 2.552 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](C)CCc2ccco2)cc1[O-] ZINC000436856958 297039969 /nfs/dbraw/zinc/03/99/69/297039969.db2.gz BIAOFTPBMPDPKQ-LLVKDONJSA-N -1 3 301.342 2.939 20 0 DFADHM COc1cc(NC(=O)c2ccc([O-])c(C)c2)ccc1NC(C)=O ZINC000436901399 297043528 /nfs/dbraw/zinc/04/35/28/297043528.db2.gz MFQBNHCZJSYFCY-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1[O-] ZINC000436865023 297041017 /nfs/dbraw/zinc/04/10/17/297041017.db2.gz QWFJZSXADHEDLS-HNNXBMFYSA-N -1 3 311.337 2.848 20 0 DFADHM CCn1nncc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000436868037 297041027 /nfs/dbraw/zinc/04/10/27/297041027.db2.gz GJKQCAYDHXZHFB-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM O=c1c2ccccc2ccn1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436868961 297041264 /nfs/dbraw/zinc/04/12/64/297041264.db2.gz JXKXCZRWBCQCPY-UHFFFAOYSA-N -1 3 319.320 2.805 20 0 DFADHM Cn1cc(-c2nc(-c3ccc([O-])cc3)no2)c2ccccc2c1=O ZINC000436869273 297041366 /nfs/dbraw/zinc/04/13/66/297041366.db2.gz JZYVZSXCWYMGRB-UHFFFAOYSA-N -1 3 319.320 2.961 20 0 DFADHM COCCOc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436905032 297043583 /nfs/dbraw/zinc/04/35/83/297043583.db2.gz RTYHMIUKYQPJLL-UHFFFAOYSA-N -1 3 301.342 2.978 20 0 DFADHM CS[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@H]1N(C)C ZINC000436905269 297043629 /nfs/dbraw/zinc/04/36/29/297043629.db2.gz HMYLZYHCSAEGKS-GDBMZVCRSA-N -1 3 322.474 2.633 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)c([O-])c1C ZINC000436896760 297043051 /nfs/dbraw/zinc/04/30/51/297043051.db2.gz UEMVNMMCZHIXGG-PBHICJAKSA-N -1 3 313.397 2.731 20 0 DFADHM CC(C)(C)[C@@H](CCO)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436976289 297049532 /nfs/dbraw/zinc/04/95/32/297049532.db2.gz BKZPXPAFIYWXLB-OAHLLOKOSA-N -1 3 305.418 2.798 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)ccc1[O-] ZINC000436933359 297045936 /nfs/dbraw/zinc/04/59/36/297045936.db2.gz BUCCICPXNGMXNN-DZGCQCFKSA-N -1 3 318.417 2.514 20 0 DFADHM CC1CCN(CCNC(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000436936182 297046213 /nfs/dbraw/zinc/04/62/13/297046213.db2.gz MUIFODBAABGZEF-UHFFFAOYSA-N -1 3 314.788 2.646 20 0 DFADHM C[C@H]1CCCN(CCNC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000436938783 297046514 /nfs/dbraw/zinc/04/65/14/297046514.db2.gz KMFYPEPGYVEPFM-JTQLQIEISA-N -1 3 314.788 2.646 20 0 DFADHM CC(C)(C)Oc1ccc(CNC(=O)c2ccccc2[O-])cn1 ZINC000436944723 297046631 /nfs/dbraw/zinc/04/66/31/297046631.db2.gz CCRAILZYWPGTSJ-UHFFFAOYSA-N -1 3 300.358 2.895 20 0 DFADHM Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3F)n2)c([O-])c1 ZINC000436952548 297047013 /nfs/dbraw/zinc/04/70/13/297047013.db2.gz XVRNBIIIQRDRIZ-UHFFFAOYSA-N -1 3 312.304 2.877 20 0 DFADHM Cc1nn(C)c2nc(C)cc(C(=O)Nc3c(C)cccc3[O-])c12 ZINC000436948058 297047077 /nfs/dbraw/zinc/04/70/77/297047077.db2.gz GIVOGBZAPPJNTK-UHFFFAOYSA-N -1 3 310.357 2.851 20 0 DFADHM COc1cccc(C(=O)Nc2cnn(CC(C)C)c2C)c1[O-] ZINC000436959490 297048112 /nfs/dbraw/zinc/04/81/12/297048112.db2.gz ABXCAOPZLBPGQB-UHFFFAOYSA-N -1 3 303.362 2.814 20 0 DFADHM C[C@@]1(CO)CCC[C@@H]1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436975217 297049161 /nfs/dbraw/zinc/04/91/61/297049161.db2.gz IGNUUWWTPARGIQ-YJBOKZPZSA-N -1 3 303.402 2.552 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCOCC2(CC2)C1 ZINC000436987344 297050114 /nfs/dbraw/zinc/05/01/14/297050114.db2.gz JDWHXGWHACEFPC-UHFFFAOYSA-N -1 3 301.386 2.524 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)c([O-])c1 ZINC000436990051 297050573 /nfs/dbraw/zinc/05/05/73/297050573.db2.gz SUVQLMULNLKMKD-LSDHHAIUSA-N 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/nfs/dbraw/zinc/34/40/95/525344095.db2.gz URYVRYLUPWAXGK-CQSZACIVSA-N -1 3 312.417 2.901 20 0 DFADHM O=C(N[C@@H]1C[C@@H](CO)c2ccccc21)c1cc([O-])ccc1Cl ZINC000365688581 526964112 /nfs/dbraw/zinc/96/41/12/526964112.db2.gz QQFAPJFJVJANCK-MGPLVRAMSA-N -1 3 317.772 2.996 20 0 DFADHM CC(C)O[N-]C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000295698138 528045438 /nfs/dbraw/zinc/04/54/38/528045438.db2.gz NYUJJUCMNJHDRX-LLVKDONJSA-N -1 3 314.794 2.599 20 0 DFADHM CC(C)O[N-]C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000296614416 528048622 /nfs/dbraw/zinc/04/86/22/528048622.db2.gz KTAZBSFIYBYXIC-OKILXGFUSA-N -1 3 321.421 2.757 20 0 DFADHM CC(C)O[C@@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1(C)C ZINC000331953017 528058608 /nfs/dbraw/zinc/05/86/08/528058608.db2.gz ZVYJNJUCJHIEML-HUUCEWRRSA-N -1 3 324.396 2.923 20 0 DFADHM CCOc1cc(C(=O)[N-]c2ncc(C3CCOCC3)s2)on1 ZINC000295929267 528240014 /nfs/dbraw/zinc/24/00/14/528240014.db2.gz JRFMVODFIDVAFA-UHFFFAOYSA-N -1 3 323.374 2.676 20 0 DFADHM CCOc1ccc(C(C)=O)cc1CN1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000324526952 528410838 /nfs/dbraw/zinc/41/08/38/528410838.db2.gz RYTCUDRVUIBJCP-PXAZEXFGSA-N -1 3 319.401 2.973 20 0 DFADHM CCOC(=O)C=Cc1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000292683537 528543656 /nfs/dbraw/zinc/54/36/56/528543656.db2.gz PSJPSTGDNKNMCR-JXMROGBWSA-N -1 3 304.346 2.726 20 0 DFADHM CC1(C)CCC[C@@]1(O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000294452454 528976895 /nfs/dbraw/zinc/97/68/95/528976895.db2.gz PXYMENQFRCLWAZ-GOSISDBHSA-N -1 3 314.385 2.611 20 0 DFADHM CCON=C([O-])Nc1ccc(Br)c(C2CC2)n1 ZINC000296673664 529086855 /nfs/dbraw/zinc/08/68/55/529086855.db2.gz GFHYAZRLDBBNPE-UHFFFAOYSA-N -1 3 300.156 2.795 20 0 DFADHM CCO[N-]C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000296673664 529086859 /nfs/dbraw/zinc/08/68/59/529086859.db2.gz GFHYAZRLDBBNPE-UHFFFAOYSA-N -1 3 300.156 2.795 20 0 DFADHM CC1(C)C[C@@H](O)CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000296807050 529141782 /nfs/dbraw/zinc/14/17/82/529141782.db2.gz FGNCRLJGIJQBRJ-AWEZNQCLSA-N -1 3 317.429 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ZINC000682164197 545810311 /nfs/dbraw/zinc/81/03/11/545810311.db2.gz YNPCMDQUTFOERP-UHFFFAOYSA-N -1 3 312.377 2.625 20 0 DFADHM CC1(C)c2ccccc2CCN1C(=O)c1cccc2[n-]nnc21 ZINC000682166487 545812333 /nfs/dbraw/zinc/81/23/33/545812333.db2.gz DCNOTAPQGWRARP-UHFFFAOYSA-N -1 3 306.369 2.892 20 0 DFADHM CC1(C)c2ccccc2CCN1C(=O)c1cccc2nn[n-]c21 ZINC000682166487 545812336 /nfs/dbraw/zinc/81/23/36/545812336.db2.gz DCNOTAPQGWRARP-UHFFFAOYSA-N -1 3 306.369 2.892 20 0 DFADHM CC1(C)c2ccccc2CCN1C(=O)c1cccc2n[n-]nc21 ZINC000682166487 545812342 /nfs/dbraw/zinc/81/23/42/545812342.db2.gz DCNOTAPQGWRARP-UHFFFAOYSA-N -1 3 306.369 2.892 20 0 DFADHM COc1cc(C(=O)N2CC[C@H](Cc3ccncc3)C2)ccc1[O-] ZINC000682363370 545831336 /nfs/dbraw/zinc/83/13/36/545831336.db2.gz FBIVXFSPVYHIHC-CQSZACIVSA-N -1 3 312.369 2.501 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@H]2CCOC2)sc1Cl ZINC000682730025 545906651 /nfs/dbraw/zinc/90/66/51/545906651.db2.gz KGCKGIDMYVXMPH-NXEZZACHSA-N -1 3 323.867 2.803 20 0 DFADHM C=C/C(C)=C\CC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000682832124 545922783 /nfs/dbraw/zinc/92/27/83/545922783.db2.gz YSYIZIQZADONMM-XFFZJAGNSA-N -1 3 308.403 2.827 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cnccc2C)c(F)c1 ZINC000682930553 545943078 /nfs/dbraw/zinc/94/30/78/545943078.db2.gz DWSUZWVSZTVHFH-LLVKDONJSA-N -1 3 324.377 2.577 20 0 DFADHM C[C@@H](c1ccccc1)n1ccc(NC(=O)[N-]c2cnns2)n1 ZINC000683152906 545981152 /nfs/dbraw/zinc/98/11/52/545981152.db2.gz FUJZOOSSYXOGRN-JTQLQIEISA-N -1 3 314.374 2.988 20 0 DFADHM O=C([O-])[C@H](CNCc1ccc(F)cc1F)Cc1ccccc1 ZINC000683172196 545983810 /nfs/dbraw/zinc/98/38/10/545983810.db2.gz VNYMALLRQDLCKA-AWEZNQCLSA-N -1 3 305.324 2.998 20 0 DFADHM CCOc1cccc(CNC[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000683172676 545984067 /nfs/dbraw/zinc/98/40/67/545984067.db2.gz YGRAKTVUVDYOIG-HNNXBMFYSA-N -1 3 314.385 2.513 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](c3ccnc(C)n3)C2)n1 ZINC000684088688 546149138 /nfs/dbraw/zinc/14/91/38/546149138.db2.gz IZAAXMQZSIYFMI-TZMCWYRMSA-N -1 3 313.405 2.530 20 0 DFADHM O=S(=O)([N-]Cc1ccc(Cl)o1)c1cc(F)cc(F)c1 ZINC000684106945 546152685 /nfs/dbraw/zinc/15/26/85/546152685.db2.gz ZIRBXBUMJFPXIB-UHFFFAOYSA-N -1 3 307.705 2.690 20 0 DFADHM CCOc1cnc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)cn1 ZINC000684151464 546159305 /nfs/dbraw/zinc/15/93/05/546159305.db2.gz QFHLUQVATCFOSE-UHFFFAOYSA-N -1 3 316.361 2.947 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@H]1C[C@]12CCCc1ccccc12 ZINC000684350751 546197358 /nfs/dbraw/zinc/19/73/58/546197358.db2.gz SCTMCFXANSREHW-BEFAXECRSA-N -1 3 308.381 2.698 20 0 DFADHM O=C(NCc1ncccc1[O-])C1(c2ccc(F)cc2)CCC1 ZINC000684351252 546198176 /nfs/dbraw/zinc/19/81/76/546198176.db2.gz YYQVKBVOUYRTHZ-UHFFFAOYSA-N -1 3 300.333 2.664 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC[C@@H](CCO)C1 ZINC000684463506 546224742 /nfs/dbraw/zinc/22/47/42/546224742.db2.gz BCXWZNDIWKQGAN-JTQLQIEISA-N -1 3 317.307 2.646 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@H](O)C1)c1ccc(Cl)cc1Cl ZINC000684656947 546258282 /nfs/dbraw/zinc/25/82/82/546258282.db2.gz DRPQJLRMLLAUJJ-ZJUUUORDSA-N -1 3 324.229 2.575 20 0 DFADHM O=C(N[C@H]1C[C@@H]1c1cccnc1)c1cc2c(cc1[O-])CCCC2 ZINC000684827874 546286971 /nfs/dbraw/zinc/28/69/71/546286971.db2.gz SCVHOVZTTFZYEC-WBVHZDCISA-N -1 3 308.381 2.952 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2F)c1[O-] ZINC000684844645 546290108 /nfs/dbraw/zinc/29/01/08/546290108.db2.gz MULQBMHBMQCEOB-UHFFFAOYSA-N -1 3 312.304 2.877 20 0 DFADHM [O-]c1cc(CN2C[C@@H](O)CC(F)(F)C2)cc(C(F)(F)F)c1 ZINC000685844624 546397374 /nfs/dbraw/zinc/39/73/74/546397374.db2.gz SOKUOLGZBCGHPA-NSHDSACASA-N -1 3 311.250 2.613 20 0 DFADHM Cc1cccc([C@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737389842 598827984 /nfs/dbraw/zinc/82/79/84/598827984.db2.gz QBUCEXVYLJFBDB-LBPRGKRZSA-N -1 3 308.341 2.884 20 0 DFADHM Cc1cccc([C@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737389842 598827985 /nfs/dbraw/zinc/82/79/85/598827985.db2.gz QBUCEXVYLJFBDB-LBPRGKRZSA-N -1 3 308.341 2.884 20 0 DFADHM Cc1ccccc1-c1noc(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737419021 598860075 /nfs/dbraw/zinc/86/00/75/598860075.db2.gz UUWGTSUHBLAWMM-UHFFFAOYSA-N -1 3 318.340 2.816 20 0 DFADHM Cc1ccccc1-c1noc(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737419021 598860077 /nfs/dbraw/zinc/86/00/77/598860077.db2.gz UUWGTSUHBLAWMM-UHFFFAOYSA-N -1 3 318.340 2.816 20 0 DFADHM COC(=O)[C@@H](Nc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896304 598878469 /nfs/dbraw/zinc/87/84/69/598878469.db2.gz HZTFAUOTKKBXEH-HNNXBMFYSA-N -1 3 323.356 2.501 20 0 DFADHM COC(=O)[C@@H](Nc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896304 598878470 /nfs/dbraw/zinc/87/84/70/598878470.db2.gz HZTFAUOTKKBXEH-HNNXBMFYSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1nnc(NCC[C@H]2CCCC[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000737522623 598914731 /nfs/dbraw/zinc/91/47/31/598914731.db2.gz WBZQFHFGUFKWDT-GXFFZTMASA-N -1 3 315.425 2.902 20 0 DFADHM Cc1nnc(NCC[C@H]2CCCC[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000737522623 598914732 /nfs/dbraw/zinc/91/47/32/598914732.db2.gz WBZQFHFGUFKWDT-GXFFZTMASA-N -1 3 315.425 2.902 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCCSC)s1 ZINC000736679252 599372828 /nfs/dbraw/zinc/37/28/28/599372828.db2.gz PTRNMZGXEQXAHB-UHFFFAOYSA-N -1 3 311.436 2.572 20 0 DFADHM Cc1ccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)o1 ZINC000737320493 598936114 /nfs/dbraw/zinc/93/61/14/598936114.db2.gz LLXHBSPYNCWQQD-QMMMGPOBSA-N -1 3 304.741 2.990 20 0 DFADHM Cc1ccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)o1 ZINC000737320493 598936115 /nfs/dbraw/zinc/93/61/15/598936115.db2.gz LLXHBSPYNCWQQD-QMMMGPOBSA-N -1 3 304.741 2.990 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)C(C)(C)C ZINC000736633393 599015490 /nfs/dbraw/zinc/01/54/90/599015490.db2.gz ATNOYFPTQZCUIS-JTQLQIEISA-N -1 3 317.393 2.886 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)C(C)(C)C ZINC000736633393 599015493 /nfs/dbraw/zinc/01/54/93/599015493.db2.gz ATNOYFPTQZCUIS-JTQLQIEISA-N -1 3 317.393 2.886 20 0 DFADHM CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736397420 599012458 /nfs/dbraw/zinc/01/24/58/599012458.db2.gz UZNIOBQGMXATMY-SMDDNHRTSA-N -1 3 314.393 2.957 20 0 DFADHM CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736397420 599012460 /nfs/dbraw/zinc/01/24/60/599012460.db2.gz UZNIOBQGMXATMY-SMDDNHRTSA-N -1 3 314.393 2.957 20 0 DFADHM CCOC(=O)C[C@H](C)SCc1cc(-c2nnn[n-]2)ccc1F ZINC000736594097 599014318 /nfs/dbraw/zinc/01/43/18/599014318.db2.gz NMGANMAXPQYNKO-VIFPVBQESA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)C[C@H](C)SCc1cc(-c2nn[n-]n2)ccc1F ZINC000736594097 599014320 /nfs/dbraw/zinc/01/43/20/599014320.db2.gz NMGANMAXPQYNKO-VIFPVBQESA-N -1 3 324.381 2.581 20 0 DFADHM CC1(C)CCCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000820597198 599038070 /nfs/dbraw/zinc/03/80/70/599038070.db2.gz ZVNKHYVBMUJCIJ-UHFFFAOYSA-N -1 3 312.421 2.767 20 0 DFADHM CC1(C)CCCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000820597198 599038072 /nfs/dbraw/zinc/03/80/72/599038072.db2.gz ZVNKHYVBMUJCIJ-UHFFFAOYSA-N -1 3 312.421 2.767 20 0 DFADHM O=C(Nc1cc(F)c(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738144810 599038604 /nfs/dbraw/zinc/03/86/04/599038604.db2.gz NTEORMWUHXQLHO-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1cc(F)c(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738144810 599038607 /nfs/dbraw/zinc/03/86/07/599038607.db2.gz NTEORMWUHXQLHO-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM Cc1cccc([C@H](C)CNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737389381 599039985 /nfs/dbraw/zinc/03/99/85/599039985.db2.gz OJLGNQYXJXOCCD-CYBMUJFWSA-N -1 3 321.384 2.709 20 0 DFADHM Cc1cccc([C@H](C)CNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737389381 599039988 /nfs/dbraw/zinc/03/99/88/599039988.db2.gz OJLGNQYXJXOCCD-CYBMUJFWSA-N -1 3 321.384 2.709 20 0 DFADHM CN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC000736843944 599041860 /nfs/dbraw/zinc/04/18/60/599041860.db2.gz QZMBZLOYYBAGKM-UHFFFAOYSA-N -1 3 312.299 2.659 20 0 DFADHM CN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CCCC1 ZINC000736843944 599041861 /nfs/dbraw/zinc/04/18/61/599041861.db2.gz QZMBZLOYYBAGKM-UHFFFAOYSA-N -1 3 312.299 2.659 20 0 DFADHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)[C@H]2CCCO[C@H]21 ZINC000820585779 599043382 /nfs/dbraw/zinc/04/33/82/599043382.db2.gz PSXIYIBDZJOFPK-LERXQTSPSA-N -1 3 317.368 2.621 20 0 DFADHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821854422 599043706 /nfs/dbraw/zinc/04/37/06/599043706.db2.gz JHZRFBJTLZTTFP-OAHLLOKOSA-N -1 3 323.356 2.811 20 0 DFADHM CC1(C)[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]2CCO[C@@H]21 ZINC000736205579 599045948 /nfs/dbraw/zinc/04/59/48/599045948.db2.gz KCNOTWDSXKKNNC-RTXFEEFZSA-N -1 3 319.796 2.746 20 0 DFADHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]2CCO[C@@H]21 ZINC000736205579 599045951 /nfs/dbraw/zinc/04/59/51/599045951.db2.gz KCNOTWDSXKKNNC-RTXFEEFZSA-N -1 3 319.796 2.746 20 0 DFADHM Cc1ccc([C@@H](O)CNc2cc(Cl)ccc2-c2nnn[n-]2)o1 ZINC000737320353 599047160 /nfs/dbraw/zinc/04/71/60/599047160.db2.gz OXQPFDBLPTZNHS-LBPRGKRZSA-N -1 3 319.752 2.567 20 0 DFADHM Cc1ccc([C@@H](O)CNc2cc(Cl)ccc2-c2nn[n-]n2)o1 ZINC000737320353 599047163 /nfs/dbraw/zinc/04/71/63/599047163.db2.gz OXQPFDBLPTZNHS-LBPRGKRZSA-N -1 3 319.752 2.567 20 0 DFADHM CC1(C)[C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)C[C@@H]21 ZINC000820586075 599049823 /nfs/dbraw/zinc/04/98/23/599049823.db2.gz TYRUJJDOPWBXEX-PHIMTYICSA-N -1 3 323.322 2.978 20 0 DFADHM C[C@H]1CN(Cc2cc(Br)cs2)C[C@H]1C(=O)[O-] ZINC000251640621 601504701 /nfs/dbraw/zinc/50/47/01/601504701.db2.gz FWLASDXVSXIOHV-OIBJUYFYSA-N -1 3 304.209 2.663 20 0 DFADHM C[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCC2)C(C)(C)C ZINC000736027144 599058400 /nfs/dbraw/zinc/05/84/00/599058400.db2.gz YGWRYJHYKWEXJQ-JTQLQIEISA-N -1 3 300.410 2.845 20 0 DFADHM C[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)C(C)(C)C ZINC000736027144 599058402 /nfs/dbraw/zinc/05/84/02/599058402.db2.gz YGWRYJHYKWEXJQ-JTQLQIEISA-N -1 3 300.410 2.845 20 0 DFADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ncccc2-c2nnn[n-]2)C1 ZINC000820666238 599059786 /nfs/dbraw/zinc/05/97/86/599059786.db2.gz HHJAVSPRGRQTRC-IAQYHMDHSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ncccc2-c2nn[n-]n2)C1 ZINC000820666238 599059789 /nfs/dbraw/zinc/05/97/89/599059789.db2.gz HHJAVSPRGRQTRC-IAQYHMDHSA-N -1 3 324.363 2.988 20 0 DFADHM Clc1ccc([C@H]2CCN2c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822574395 599062795 /nfs/dbraw/zinc/06/27/95/599062795.db2.gz UFQOMGALWAKJLU-CYBMUJFWSA-N -1 3 312.764 2.867 20 0 DFADHM Clc1ccc([C@H]2CCN2c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822574395 599062798 /nfs/dbraw/zinc/06/27/98/599062798.db2.gz UFQOMGALWAKJLU-CYBMUJFWSA-N -1 3 312.764 2.867 20 0 DFADHM CN(C)c1ccccc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000736778166 599068083 /nfs/dbraw/zinc/06/80/83/599068083.db2.gz BSDQJOKOKMXQFK-UHFFFAOYSA-N -1 3 312.402 2.620 20 0 DFADHM CN(C)c1ccccc1CSc1cc(-c2nn[n-]n2)ccn1 ZINC000736778166 599068085 /nfs/dbraw/zinc/06/80/85/599068085.db2.gz BSDQJOKOKMXQFK-UHFFFAOYSA-N -1 3 312.402 2.620 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000737058807 599073514 /nfs/dbraw/zinc/07/35/14/599073514.db2.gz OMKAGTYHIIKIGK-PWSUYJOCSA-N -1 3 315.377 2.640 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000737058807 599073515 /nfs/dbraw/zinc/07/35/15/599073515.db2.gz OMKAGTYHIIKIGK-PWSUYJOCSA-N -1 3 315.377 2.640 20 0 DFADHM CCc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736683874 599073767 /nfs/dbraw/zinc/07/37/67/599073767.db2.gz SLAQCJYRZUVONH-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM CCc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736683874 599073771 /nfs/dbraw/zinc/07/37/71/599073771.db2.gz SLAQCJYRZUVONH-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM CS[C@@H]1CC[C@@H](Nc2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000821951526 599074196 /nfs/dbraw/zinc/07/41/96/599074196.db2.gz ZVVGWDBHBXZELL-GHMZBOCLSA-N -1 3 304.423 2.575 20 0 DFADHM CS[C@@H]1CC[C@@H](Nc2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000821951526 599074199 /nfs/dbraw/zinc/07/41/99/599074199.db2.gz ZVVGWDBHBXZELL-GHMZBOCLSA-N -1 3 304.423 2.575 20 0 DFADHM C[C@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000820776949 599074883 /nfs/dbraw/zinc/07/48/83/599074883.db2.gz NZFAARPRQUOPOF-IUCAKERBSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820776949 599074885 /nfs/dbraw/zinc/07/48/85/599074885.db2.gz NZFAARPRQUOPOF-IUCAKERBSA-N -1 3 309.826 2.850 20 0 DFADHM CCc1cnc(CCNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821497444 599083640 /nfs/dbraw/zinc/08/36/40/599083640.db2.gz SNUIKMLZYIMCLE-UHFFFAOYSA-N -1 3 300.391 2.540 20 0 DFADHM C[C@H]1CCC[C@H](C)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736244954 599087086 /nfs/dbraw/zinc/08/70/86/599087086.db2.gz QFVWXEWZTYSUBT-UWVGGRQHSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@H]1CCC[C@H](C)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736244954 599087089 /nfs/dbraw/zinc/08/70/89/599087089.db2.gz QFVWXEWZTYSUBT-UWVGGRQHSA-N -1 3 305.407 2.579 20 0 DFADHM FCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000822736897 599127870 /nfs/dbraw/zinc/12/78/70/599127870.db2.gz LYIWKOIOEMGSDQ-UHFFFAOYSA-N -1 3 301.350 2.990 20 0 DFADHM FCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000822736897 599127872 /nfs/dbraw/zinc/12/78/72/599127872.db2.gz LYIWKOIOEMGSDQ-UHFFFAOYSA-N -1 3 301.350 2.990 20 0 DFADHM C[C@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)C(C)(C)C ZINC000735572971 599144297 /nfs/dbraw/zinc/14/42/97/599144297.db2.gz ZLYCOROBBULLRR-SECBINFHSA-N -1 3 306.341 2.731 20 0 DFADHM C[C@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)C(C)(C)C ZINC000735572971 599144299 /nfs/dbraw/zinc/14/42/99/599144299.db2.gz ZLYCOROBBULLRR-SECBINFHSA-N -1 3 306.341 2.731 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000822227910 599151311 /nfs/dbraw/zinc/15/13/11/599151311.db2.gz ZVJFXFSJCOVGGG-SECBINFHSA-N -1 3 315.308 2.649 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000822227910 599151312 /nfs/dbraw/zinc/15/13/12/599151312.db2.gz ZVJFXFSJCOVGGG-SECBINFHSA-N -1 3 315.308 2.649 20 0 DFADHM CC[C@H]1CCC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736401891 599156071 /nfs/dbraw/zinc/15/60/71/599156071.db2.gz ZROZPCJZWMABHI-FZMZJTMJSA-N -1 3 300.362 2.992 20 0 DFADHM CC[C@H]1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736401891 599156072 /nfs/dbraw/zinc/15/60/72/599156072.db2.gz ZROZPCJZWMABHI-FZMZJTMJSA-N -1 3 300.362 2.992 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820868986 599159143 /nfs/dbraw/zinc/15/91/43/599159143.db2.gz DKSPNSCBIAAOGG-MZWKFTRPSA-N -1 3 313.405 2.821 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820868986 599159144 /nfs/dbraw/zinc/15/91/44/599159144.db2.gz DKSPNSCBIAAOGG-MZWKFTRPSA-N -1 3 313.405 2.821 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cnc2ccsc2c1 ZINC000738250132 599176685 /nfs/dbraw/zinc/17/66/85/599176685.db2.gz CTDPHEOZSOONAT-UHFFFAOYSA-N -1 3 323.337 2.696 20 0 DFADHM Cc1sc(NC(=O)c2cnccc2C)c(-c2nnn[n-]2)c1C ZINC000737444555 599178470 /nfs/dbraw/zinc/17/84/70/599178470.db2.gz NSSQTPPZJBMXEQ-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM Cc1sc(NC(=O)c2cnccc2C)c(-c2nn[n-]n2)c1C ZINC000737444555 599178472 /nfs/dbraw/zinc/17/84/72/599178472.db2.gz NSSQTPPZJBMXEQ-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM CC1(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCCCC1 ZINC000736225421 599187790 /nfs/dbraw/zinc/18/77/90/599187790.db2.gz YGKRCBLLSORZRL-UHFFFAOYSA-N -1 3 318.356 2.850 20 0 DFADHM CC1(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCCCC1 ZINC000736225421 599187793 /nfs/dbraw/zinc/18/77/93/599187793.db2.gz YGKRCBLLSORZRL-UHFFFAOYSA-N -1 3 318.356 2.850 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000737801783 599224820 /nfs/dbraw/zinc/22/48/20/599224820.db2.gz UJMORKMSQJTMNC-BJCHZKIZSA-N -1 3 323.400 2.671 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000737801783 599224822 /nfs/dbraw/zinc/22/48/22/599224822.db2.gz UJMORKMSQJTMNC-BJCHZKIZSA-N -1 3 323.400 2.671 20 0 DFADHM CCc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000821492518 607264743 /nfs/dbraw/zinc/26/47/43/607264743.db2.gz PFBHVHBSNUTHHA-UHFFFAOYSA-N -1 3 308.341 2.786 20 0 DFADHM CCc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000821492518 607264744 /nfs/dbraw/zinc/26/47/44/607264744.db2.gz PFBHVHBSNUTHHA-UHFFFAOYSA-N -1 3 308.341 2.786 20 0 DFADHM Cc1cccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822328455 607268623 /nfs/dbraw/zinc/26/86/23/607268623.db2.gz QCZRVABJRNBSTN-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1cccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822328455 607268624 /nfs/dbraw/zinc/26/86/24/607268624.db2.gz QCZRVABJRNBSTN-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM C[C@@H](NC(=S)Nc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403916 599237854 /nfs/dbraw/zinc/23/78/54/599237854.db2.gz MUPDZNAYFSSIFD-LLVKDONJSA-N -1 3 324.413 2.914 20 0 DFADHM C[C@@H](NC(=S)Nc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403916 599237856 /nfs/dbraw/zinc/23/78/56/599237856.db2.gz MUPDZNAYFSSIFD-LLVKDONJSA-N -1 3 324.413 2.914 20 0 DFADHM CCc1oc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000821559027 607267690 /nfs/dbraw/zinc/26/76/90/607267690.db2.gz PSGHHVNJOLKXPO-UHFFFAOYSA-N -1 3 311.345 2.891 20 0 DFADHM CCc1oc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000821559027 607267691 /nfs/dbraw/zinc/26/76/91/607267691.db2.gz PSGHHVNJOLKXPO-UHFFFAOYSA-N -1 3 311.345 2.891 20 0 DFADHM CC[C@]1(C)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820950274 599240175 /nfs/dbraw/zinc/24/01/75/599240175.db2.gz LIGHWQOEELTUDQ-MRXNPFEDSA-N -1 3 314.393 2.911 20 0 DFADHM CC[C@]1(C)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820950274 599240183 /nfs/dbraw/zinc/24/01/83/599240183.db2.gz LIGHWQOEELTUDQ-MRXNPFEDSA-N -1 3 314.393 2.911 20 0 DFADHM Cc1c(NC(=O)C=Cc2cccs2)cccc1-c1nnn[n-]1 ZINC000822067501 607270702 /nfs/dbraw/zinc/27/07/02/607270702.db2.gz KKEQGTLDVAKAGF-BQYQJAHWSA-N -1 3 311.370 2.889 20 0 DFADHM Cc1c(NC(=O)C=Cc2cccs2)cccc1-c1nn[n-]n1 ZINC000822067501 607270703 /nfs/dbraw/zinc/27/07/03/607270703.db2.gz KKEQGTLDVAKAGF-BQYQJAHWSA-N -1 3 311.370 2.889 20 0 DFADHM Cc1c(NC(=O)C=Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822068438 607271737 /nfs/dbraw/zinc/27/17/37/607271737.db2.gz SHEVYRNIMRMSKP-KHPPLWFESA-N -1 3 305.341 2.827 20 0 DFADHM Cc1c(NC(=O)C=Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822068438 607271738 /nfs/dbraw/zinc/27/17/38/607271738.db2.gz SHEVYRNIMRMSKP-KHPPLWFESA-N -1 3 305.341 2.827 20 0 DFADHM Cc1c(NC(=O)CCc2ccsc2)cccc1-c1nnn[n-]1 ZINC000822068031 607269542 /nfs/dbraw/zinc/26/95/42/607269542.db2.gz ODHCWFYTXXSSDD-UHFFFAOYSA-N -1 3 313.386 2.808 20 0 DFADHM Cc1c(NC(=O)CCc2ccsc2)cccc1-c1nn[n-]n1 ZINC000822068031 607269543 /nfs/dbraw/zinc/26/95/43/607269543.db2.gz ODHCWFYTXXSSDD-UHFFFAOYSA-N -1 3 313.386 2.808 20 0 DFADHM CCc1ccccc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821491894 607273577 /nfs/dbraw/zinc/27/35/77/607273577.db2.gz BDXLCTNFRDRZKN-UHFFFAOYSA-N -1 3 321.384 2.701 20 0 DFADHM CCc1ccccc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821491894 607273578 /nfs/dbraw/zinc/27/35/78/607273578.db2.gz BDXLCTNFRDRZKN-UHFFFAOYSA-N -1 3 321.384 2.701 20 0 DFADHM CC[C@H](C)[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820859440 607281119 /nfs/dbraw/zinc/28/11/19/607281119.db2.gz DVKCSAJRYHQLGN-ONGXEEELSA-N -1 3 302.382 2.731 20 0 DFADHM CC[C@H](C)[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820859440 607281120 /nfs/dbraw/zinc/28/11/20/607281120.db2.gz DVKCSAJRYHQLGN-ONGXEEELSA-N -1 3 302.382 2.731 20 0 DFADHM Clc1ccc2ncc(-c3nnn[n-]3)c(NC3CCCC3)c2c1 ZINC000737574001 599253601 /nfs/dbraw/zinc/25/36/01/599253601.db2.gz OENUSWAWLXTGNQ-UHFFFAOYSA-N -1 3 314.780 2.845 20 0 DFADHM Clc1ccc2ncc(-c3nn[n-]n3)c(NC3CCCC3)c2c1 ZINC000737574001 599253602 /nfs/dbraw/zinc/25/36/02/599253602.db2.gz OENUSWAWLXTGNQ-UHFFFAOYSA-N -1 3 314.780 2.845 20 0 DFADHM CCC[C@@H](C)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821016079 607282740 /nfs/dbraw/zinc/28/27/40/607282740.db2.gz VFUQQJLOPXVNLJ-SNVBAGLBSA-N -1 3 302.382 2.827 20 0 DFADHM CCC[C@@H](C)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821016079 607282741 /nfs/dbraw/zinc/28/27/41/607282741.db2.gz VFUQQJLOPXVNLJ-SNVBAGLBSA-N -1 3 302.382 2.827 20 0 DFADHM Cc1c(NC(=O)N(C)[C@H](C)C(C)C)cccc1-c1nnn[n-]1 ZINC000822076061 607288684 /nfs/dbraw/zinc/28/86/84/607288684.db2.gz LFKQKRAKYHYWSK-LLVKDONJSA-N -1 3 302.382 2.683 20 0 DFADHM Cc1c(NC(=O)N(C)[C@H](C)C(C)C)cccc1-c1nn[n-]n1 ZINC000822076061 607288685 /nfs/dbraw/zinc/28/86/85/607288685.db2.gz LFKQKRAKYHYWSK-LLVKDONJSA-N -1 3 302.382 2.683 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ncccc1C(C)C ZINC000826251146 607778555 /nfs/dbraw/zinc/77/85/55/607778555.db2.gz GXRHILCIAHEEAC-UHFFFAOYSA-N -1 3 322.372 2.946 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ncccc1C(C)C ZINC000826251146 607778556 /nfs/dbraw/zinc/77/85/56/607778556.db2.gz GXRHILCIAHEEAC-UHFFFAOYSA-N -1 3 322.372 2.946 20 0 DFADHM Cc1c(NC(=O)N2[C@@H](C)CC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822084559 607290157 /nfs/dbraw/zinc/29/01/57/607290157.db2.gz MYCUMUVPCXTSRK-UWVGGRQHSA-N -1 3 300.366 2.580 20 0 DFADHM Cc1c(NC(=O)N2[C@@H](C)CC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822084559 607290158 /nfs/dbraw/zinc/29/01/58/607290158.db2.gz MYCUMUVPCXTSRK-UWVGGRQHSA-N -1 3 300.366 2.580 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820870167 607292197 /nfs/dbraw/zinc/29/21/97/607292197.db2.gz OIUFQSCMXCBYER-SNVBAGLBSA-N -1 3 302.382 2.685 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820870167 607292198 /nfs/dbraw/zinc/29/21/98/607292198.db2.gz OIUFQSCMXCBYER-SNVBAGLBSA-N -1 3 302.382 2.685 20 0 DFADHM Cc1c(NC(=O)[C@H](C)Oc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822059594 607293952 /nfs/dbraw/zinc/29/39/52/607293952.db2.gz DFIADVVNZPCVFB-LBPRGKRZSA-N -1 3 323.356 2.581 20 0 DFADHM Cc1c(NC(=O)[C@H](C)Oc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822059594 607293953 /nfs/dbraw/zinc/29/39/53/607293953.db2.gz DFIADVVNZPCVFB-LBPRGKRZSA-N -1 3 323.356 2.581 20 0 DFADHM O=C([O-])C1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000821510854 597421730 /nfs/dbraw/zinc/42/17/30/597421730.db2.gz BIJSXDKHMGEUOP-CYBMUJFWSA-N -1 3 318.200 2.823 20 0 DFADHM C/C=C(\C)C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000820827398 607309652 /nfs/dbraw/zinc/30/96/52/607309652.db2.gz SPNQPHMGSCOFIM-KGVSQERTSA-N -1 3 323.356 2.959 20 0 DFADHM C/C=C(\C)C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000820827398 607309653 /nfs/dbraw/zinc/30/96/53/607309653.db2.gz SPNQPHMGSCOFIM-KGVSQERTSA-N -1 3 323.356 2.959 20 0 DFADHM Fc1cccc(NCc2ccc3c(c2)COC3)c1-c1nnn[n-]1 ZINC000822791916 607305690 /nfs/dbraw/zinc/30/56/90/607305690.db2.gz NBVCHRNZMTVCIE-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM Fc1cccc(NCc2ccc3c(c2)COC3)c1-c1nn[n-]n1 ZINC000822791916 607305691 /nfs/dbraw/zinc/30/56/91/607305691.db2.gz NBVCHRNZMTVCIE-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC000735595033 599304885 /nfs/dbraw/zinc/30/48/85/599304885.db2.gz DIODRTQSKKHUEZ-WCQYABFASA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)C(NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)C ZINC000820027012 607319799 /nfs/dbraw/zinc/31/97/99/607319799.db2.gz PGTHYHUXGLNASL-UHFFFAOYSA-N -1 3 323.347 2.555 20 0 DFADHM CC(C)C(NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)C ZINC000820027012 607319800 /nfs/dbraw/zinc/31/98/00/607319800.db2.gz PGTHYHUXGLNASL-UHFFFAOYSA-N -1 3 323.347 2.555 20 0 DFADHM CC(C)C(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000820020680 607320078 /nfs/dbraw/zinc/32/00/78/607320078.db2.gz JVPPHVMNVIWBBH-MDZDMXLPSA-N -1 3 313.405 2.677 20 0 DFADHM CC(C)C(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000820020680 607320079 /nfs/dbraw/zinc/32/00/79/607320079.db2.gz JVPPHVMNVIWBBH-MDZDMXLPSA-N -1 3 313.405 2.677 20 0 DFADHM OC[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000823704531 607327774 /nfs/dbraw/zinc/32/77/74/607327774.db2.gz BYHSAYDJLKLHDA-CQSZACIVSA-N -1 3 321.812 2.873 20 0 DFADHM OC[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000823704531 607327775 /nfs/dbraw/zinc/32/77/75/607327775.db2.gz BYHSAYDJLKLHDA-CQSZACIVSA-N -1 3 321.812 2.873 20 0 DFADHM Cc1cn(Cc2ncc(-c3cccs3)o2)cc1-c1nnn[n-]1 ZINC000822389494 607330839 /nfs/dbraw/zinc/33/08/39/607330839.db2.gz YRFSXQHHCORIQF-UHFFFAOYSA-N -1 3 312.358 2.741 20 0 DFADHM Cc1cn(Cc2ncc(-c3cccs3)o2)cc1-c1nn[n-]n1 ZINC000822389494 607330840 /nfs/dbraw/zinc/33/08/40/607330840.db2.gz YRFSXQHHCORIQF-UHFFFAOYSA-N -1 3 312.358 2.741 20 0 DFADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000820147840 598191883 /nfs/dbraw/zinc/19/18/83/598191883.db2.gz HYYAARAWJWRTKP-NSHDSACASA-N -1 3 313.357 2.726 20 0 DFADHM CC(C)[C@H](N[C@H](C)c1ncc(Br)s1)C(=O)[O-] ZINC000820154387 598196687 /nfs/dbraw/zinc/19/66/87/598196687.db2.gz NLQOENMGHPHMNN-SVRRBLITSA-N -1 3 307.213 2.665 20 0 DFADHM Cn1cc([C@H](NCc2cccc(C(=O)[O-])c2)C(C)(C)C)cn1 ZINC000263393859 598204230 /nfs/dbraw/zinc/20/42/30/598204230.db2.gz GALHUIVVBAUBGG-HNNXBMFYSA-N -1 3 301.390 2.995 20 0 DFADHM Cn1cc([C@@H](NCc2cccc(C(=O)[O-])c2)C(C)(C)C)cn1 ZINC000263393860 598204266 /nfs/dbraw/zinc/20/42/66/598204266.db2.gz GALHUIVVBAUBGG-OAHLLOKOSA-N -1 3 301.390 2.995 20 0 DFADHM CC[C@H](C)[C@@H](C)N(C(=O)c1sccc1-c1nnn[n-]1)C1CC1 ZINC000736329616 598240630 /nfs/dbraw/zinc/24/06/30/598240630.db2.gz JVRSHXUVOBAHBC-VHSXEESVSA-N -1 3 319.434 2.967 20 0 DFADHM CC[C@H](C)[C@@H](C)N(C(=O)c1sccc1-c1nn[n-]n1)C1CC1 ZINC000736329616 598240631 /nfs/dbraw/zinc/24/06/31/598240631.db2.gz JVRSHXUVOBAHBC-VHSXEESVSA-N -1 3 319.434 2.967 20 0 DFADHM CCCCSCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736462838 598279693 /nfs/dbraw/zinc/27/96/93/598279693.db2.gz KBYLVXAKCSROTJ-UHFFFAOYSA-N -1 3 323.397 2.502 20 0 DFADHM FC(F)(F)c1cc(NCc2cccnc2)ccc1-c1nnn[n-]1 ZINC000737631024 598274390 /nfs/dbraw/zinc/27/43/90/598274390.db2.gz BMCSYCYQRRCYHD-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM FC(F)(F)c1cc(NCc2cccnc2)ccc1-c1nn[n-]n1 ZINC000737631024 598274392 /nfs/dbraw/zinc/27/43/92/598274392.db2.gz BMCSYCYQRRCYHD-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM CCCCSCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736462838 598279692 /nfs/dbraw/zinc/27/96/92/598279692.db2.gz KBYLVXAKCSROTJ-UHFFFAOYSA-N -1 3 323.397 2.502 20 0 DFADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C(C)C ZINC000736505762 598281185 /nfs/dbraw/zinc/28/11/85/598281185.db2.gz MMUYGZFJEPKOTC-UHFFFAOYSA-N -1 3 319.413 2.685 20 0 DFADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C(C)C ZINC000736505762 598281186 /nfs/dbraw/zinc/28/11/86/598281186.db2.gz MMUYGZFJEPKOTC-UHFFFAOYSA-N -1 3 319.413 2.685 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C1CCCCCC1 ZINC000737056907 598296215 /nfs/dbraw/zinc/29/62/15/598296215.db2.gz DJAYDXSFTQXJRW-UHFFFAOYSA-N -1 3 315.377 2.784 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CCCCCC1 ZINC000737056907 598296217 /nfs/dbraw/zinc/29/62/17/598296217.db2.gz DJAYDXSFTQXJRW-UHFFFAOYSA-N -1 3 315.377 2.784 20 0 DFADHM Cc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737381711 598310633 /nfs/dbraw/zinc/31/06/33/598310633.db2.gz MMTKWFOTPPKVSU-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737381711 598310634 /nfs/dbraw/zinc/31/06/34/598310634.db2.gz MMTKWFOTPPKVSU-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CCCCN(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736453069 598316969 /nfs/dbraw/zinc/31/69/69/598316969.db2.gz LNSKVUMUIQAMHT-UHFFFAOYSA-N -1 3 324.841 2.949 20 0 DFADHM CCCCN(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736453069 598316971 /nfs/dbraw/zinc/31/69/71/598316971.db2.gz LNSKVUMUIQAMHT-UHFFFAOYSA-N -1 3 324.841 2.949 20 0 DFADHM CCN(Cc1ccoc1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736556111 598354603 /nfs/dbraw/zinc/35/46/03/598354603.db2.gz MZOZDGBYGADTCM-UHFFFAOYSA-N -1 3 301.325 2.621 20 0 DFADHM CCN(Cc1ccoc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736555074 598356729 /nfs/dbraw/zinc/35/67/29/598356729.db2.gz DAYLYSASLHGNGJ-UHFFFAOYSA-N -1 3 312.333 2.514 20 0 DFADHM CCN(Cc1ccoc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736555074 598356730 /nfs/dbraw/zinc/35/67/30/598356730.db2.gz DAYLYSASLHGNGJ-UHFFFAOYSA-N -1 3 312.333 2.514 20 0 DFADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1F ZINC000738232039 598361240 /nfs/dbraw/zinc/36/12/40/598361240.db2.gz NOXNHUWQRLIGIQ-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1F ZINC000738232039 598361241 /nfs/dbraw/zinc/36/12/41/598361241.db2.gz NOXNHUWQRLIGIQ-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM CN(Cc1ccsc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736830609 598386414 /nfs/dbraw/zinc/38/64/14/598386414.db2.gz YPUVUTVHTQWGKS-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CN(Cc1ccsc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736830609 598386416 /nfs/dbraw/zinc/38/64/16/598386416.db2.gz YPUVUTVHTQWGKS-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCN(c2ccccc2)C1 ZINC000737641135 598388335 /nfs/dbraw/zinc/38/83/35/598388335.db2.gz SDWQRWZBJRXRBL-ZDUSSCGKSA-N -1 3 324.363 2.697 20 0 DFADHM C[C@@H](NC(=O)N(C)CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112775 598412478 /nfs/dbraw/zinc/41/24/78/598412478.db2.gz UQXJSHTUFGSVMC-LLVKDONJSA-N -1 3 316.409 2.615 20 0 DFADHM C[C@@H](NC(=O)N(C)CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112775 598412480 /nfs/dbraw/zinc/41/24/80/598412480.db2.gz UQXJSHTUFGSVMC-LLVKDONJSA-N -1 3 316.409 2.615 20 0 DFADHM COc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000020513950 598419184 /nfs/dbraw/zinc/41/91/84/598419184.db2.gz ILKRIHBPYBBFQQ-UHFFFAOYSA-N -1 3 310.317 2.519 20 0 DFADHM COc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000020513950 598419186 /nfs/dbraw/zinc/41/91/86/598419186.db2.gz ILKRIHBPYBBFQQ-UHFFFAOYSA-N -1 3 310.317 2.519 20 0 DFADHM CC(C)CCSCC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000735820569 598432953 /nfs/dbraw/zinc/43/29/53/598432953.db2.gz VHXYVBBJXNWYBY-UHFFFAOYSA-N -1 3 320.418 2.689 20 0 DFADHM CC(C)CCSCC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000735820569 598432954 /nfs/dbraw/zinc/43/29/54/598432954.db2.gz VHXYVBBJXNWYBY-UHFFFAOYSA-N -1 3 320.418 2.689 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735651745 598434988 /nfs/dbraw/zinc/43/49/88/598434988.db2.gz XFLYWSJPSNOQKP-UHFFFAOYSA-N -1 3 322.372 2.812 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735651745 598434989 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ZINC000735761890 598494556 /nfs/dbraw/zinc/49/45/56/598494556.db2.gz RDSOCAHOFIEHAJ-ZDUSSCGKSA-N -1 3 315.421 2.897 20 0 DFADHM C[C@H]1C[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736239711 598500990 /nfs/dbraw/zinc/50/09/90/598500990.db2.gz TUVYULOWDFXOKW-ZBEGNZNMSA-N -1 3 319.368 2.672 20 0 DFADHM C[C@H]1C[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736239711 598500992 /nfs/dbraw/zinc/50/09/92/598500992.db2.gz TUVYULOWDFXOKW-ZBEGNZNMSA-N -1 3 319.368 2.672 20 0 DFADHM CC(C)c1nc(CSCc2ccccc2-c2nnn[n-]2)no1 ZINC000735939475 598511326 /nfs/dbraw/zinc/51/13/26/598511326.db2.gz JFHGYBJWGKMLDZ-UHFFFAOYSA-N -1 3 316.390 2.807 20 0 DFADHM CC(C)c1nc(CSCc2ccccc2-c2nn[n-]n2)no1 ZINC000735939475 598511327 /nfs/dbraw/zinc/51/13/27/598511327.db2.gz JFHGYBJWGKMLDZ-UHFFFAOYSA-N -1 3 316.390 2.807 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)c(C)c1 ZINC000737333388 598538054 /nfs/dbraw/zinc/53/80/54/598538054.db2.gz ANDONNZCVKYFOE-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM 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COc1cc(-c2nn[n-]n2)ccc1Oc1cc(C)nc(C2CC2)n1 ZINC000737032897 598630387 /nfs/dbraw/zinc/63/03/87/598630387.db2.gz QYWHCMNJABNKMO-UHFFFAOYSA-N -1 3 324.344 2.643 20 0 DFADHM Cc1cccc(OCCNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737411167 598630703 /nfs/dbraw/zinc/63/07/03/598630703.db2.gz KKFUUPBOBAZFSJ-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1cccc(OCCNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737411167 598630705 /nfs/dbraw/zinc/63/07/05/598630705.db2.gz KKFUUPBOBAZFSJ-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736225307 598632019 /nfs/dbraw/zinc/63/20/19/598632019.db2.gz QHHLZIOCZDTTOM-AOOOYVTPSA-N -1 3 318.356 2.516 20 0 DFADHM C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736225307 598632021 /nfs/dbraw/zinc/63/20/21/598632021.db2.gz QHHLZIOCZDTTOM-AOOOYVTPSA-N -1 3 318.356 2.516 20 0 DFADHM CC(=O)c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735500158 598642628 /nfs/dbraw/zinc/64/26/28/598642628.db2.gz 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C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736300263 598671728 /nfs/dbraw/zinc/67/17/28/598671728.db2.gz WRGKQVYOXVNOFB-MEDUHNTESA-N -1 3 319.368 2.530 20 0 DFADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736300263 598671732 /nfs/dbraw/zinc/67/17/32/598671732.db2.gz WRGKQVYOXVNOFB-MEDUHNTESA-N -1 3 319.368 2.530 20 0 DFADHM COC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736948195 598677000 /nfs/dbraw/zinc/67/70/00/598677000.db2.gz HSRRQYGBRRUQKF-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM COC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736948195 598676998 /nfs/dbraw/zinc/67/69/98/598676998.db2.gz HSRRQYGBRRUQKF-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM CC[C@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000736407557 598677629 /nfs/dbraw/zinc/67/76/29/598677629.db2.gz PJKRZNCVNDDMTP-KOLCDFICSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000736407557 598677631 /nfs/dbraw/zinc/67/76/31/598677631.db2.gz PJKRZNCVNDDMTP-KOLCDFICSA-N -1 3 307.785 2.524 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000738232985 598703496 /nfs/dbraw/zinc/70/34/96/598703496.db2.gz YXUHNNDXDLCAHN-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000738232985 598703498 /nfs/dbraw/zinc/70/34/98/598703498.db2.gz YXUHNNDXDLCAHN-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM C[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccccc2O1 ZINC000736289141 598707340 /nfs/dbraw/zinc/70/73/40/598707340.db2.gz JZHWDMNDCQYRLT-LBPRGKRZSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000736289141 598707341 /nfs/dbraw/zinc/70/73/41/598707341.db2.gz JZHWDMNDCQYRLT-LBPRGKRZSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736059499 598750253 /nfs/dbraw/zinc/75/02/53/598750253.db2.gz TYIXBYGTDRJGIH-ZDUSSCGKSA-N -1 3 322.368 2.789 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736059499 598750255 /nfs/dbraw/zinc/75/02/55/598750255.db2.gz TYIXBYGTDRJGIH-ZDUSSCGKSA-N -1 3 322.368 2.789 20 0 DFADHM CC(C)CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000735839531 598770284 /nfs/dbraw/zinc/77/02/84/598770284.db2.gz XIGGYUORIHDHHC-UHFFFAOYSA-N -1 3 304.304 2.761 20 0 DFADHM CC(C)CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000735839531 598770283 /nfs/dbraw/zinc/77/02/83/598770283.db2.gz XIGGYUORIHDHHC-UHFFFAOYSA-N -1 3 304.304 2.761 20 0 DFADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCC3CC3)c2c1 ZINC000737645410 598770783 /nfs/dbraw/zinc/77/07/83/598770783.db2.gz XAPZXCPKDGCUJZ-UHFFFAOYSA-N -1 3 302.288 2.515 20 0 DFADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCC3CC3)c2c1 ZINC000737645410 598770784 /nfs/dbraw/zinc/77/07/84/598770784.db2.gz XAPZXCPKDGCUJZ-UHFFFAOYSA-N -1 3 302.288 2.515 20 0 DFADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736212036 598781084 /nfs/dbraw/zinc/78/10/84/598781084.db2.gz WEQMDHRMHIABNR-MRVPVSSYSA-N -1 3 320.784 2.688 20 0 DFADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736212036 598781085 /nfs/dbraw/zinc/78/10/85/598781085.db2.gz WEQMDHRMHIABNR-MRVPVSSYSA-N -1 3 320.784 2.688 20 0 DFADHM CCCN(C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736469469 598781742 /nfs/dbraw/zinc/78/17/42/598781742.db2.gz PJFFHEIWHMJBFN-NSHDSACASA-N -1 3 314.393 2.512 20 0 DFADHM CCCN(C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736469469 598781744 /nfs/dbraw/zinc/78/17/44/598781744.db2.gz PJFFHEIWHMJBFN-NSHDSACASA-N -1 3 314.393 2.512 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000738232549 598788421 /nfs/dbraw/zinc/78/84/21/598788421.db2.gz LFJFUIRRZYQGGB-INIZCTEOSA-N -1 3 320.352 2.640 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000738232549 598788423 /nfs/dbraw/zinc/78/84/23/598788423.db2.gz LFJFUIRRZYQGGB-INIZCTEOSA-N -1 3 320.352 2.640 20 0 DFADHM CN(C[C@H]1CCCCO1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736793936 598794389 /nfs/dbraw/zinc/79/43/89/598794389.db2.gz OVHJUXJHWUYNCD-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CN(C[C@H]1CCCCO1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736793936 598794390 /nfs/dbraw/zinc/79/43/90/598794390.db2.gz OVHJUXJHWUYNCD-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1c(F)cccc1F ZINC000821732099 607369037 /nfs/dbraw/zinc/36/90/37/607369037.db2.gz JXAMZHHWFSRZCX-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1c(F)cccc1F ZINC000821732099 607369038 /nfs/dbraw/zinc/36/90/38/607369038.db2.gz JXAMZHHWFSRZCX-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1cccc2[nH]ccc21 ZINC000738178899 598812908 /nfs/dbraw/zinc/81/29/08/598812908.db2.gz MWDHYVNFJIKQFX-UHFFFAOYSA-N -1 3 319.328 2.992 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1cccc2[nH]ccc21 ZINC000738178899 598812910 /nfs/dbraw/zinc/81/29/10/598812910.db2.gz MWDHYVNFJIKQFX-UHFFFAOYSA-N -1 3 319.328 2.992 20 0 DFADHM CCCN(C[C@@H]1CCCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC000736469312 598816565 /nfs/dbraw/zinc/81/65/65/598816565.db2.gz DCCQOWCCUZPLLE-LBPRGKRZSA-N -1 3 319.384 2.791 20 0 DFADHM CCCN(C[C@@H]1CCCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC000736469312 598816567 /nfs/dbraw/zinc/81/65/67/598816567.db2.gz DCCQOWCCUZPLLE-LBPRGKRZSA-N -1 3 319.384 2.791 20 0 DFADHM CC[C@@H](CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736332993 598816883 /nfs/dbraw/zinc/81/68/83/598816883.db2.gz OZGBCLJIUIKCMH-AWEZNQCLSA-N -1 3 315.421 2.897 20 0 DFADHM CC[C@@H](CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736332993 598816885 /nfs/dbraw/zinc/81/68/85/598816885.db2.gz OZGBCLJIUIKCMH-AWEZNQCLSA-N -1 3 315.421 2.897 20 0 DFADHM CCOc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1C ZINC000736626926 598821407 /nfs/dbraw/zinc/82/14/07/598821407.db2.gz MVIAJASXHAOLDY-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCOc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1C ZINC000736626926 598821409 /nfs/dbraw/zinc/82/14/09/598821409.db2.gz MVIAJASXHAOLDY-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CC(C)c1cnc(COc2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC000735931712 598821452 /nfs/dbraw/zinc/82/14/52/598821452.db2.gz CNHBSPYZTHLZHE-UHFFFAOYSA-N -1 3 303.297 2.696 20 0 DFADHM CC(C)c1cnc(COc2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC000735931712 598821453 /nfs/dbraw/zinc/82/14/53/598821453.db2.gz CNHBSPYZTHLZHE-UHFFFAOYSA-N -1 3 303.297 2.696 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC000735595033 599304883 /nfs/dbraw/zinc/30/48/83/599304883.db2.gz DIODRTQSKKHUEZ-WCQYABFASA-N -1 3 316.409 2.515 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737309367 599308272 /nfs/dbraw/zinc/30/82/72/599308272.db2.gz RLKXTCYWWFBFAD-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737309367 599308275 /nfs/dbraw/zinc/30/82/75/599308275.db2.gz RLKXTCYWWFBFAD-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(F)c(F)c1 ZINC000821736165 607369578 /nfs/dbraw/zinc/36/95/78/607369578.db2.gz DPWRMOUBMXAVKB-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(F)c(F)c1 ZINC000821736165 607369580 /nfs/dbraw/zinc/36/95/80/607369580.db2.gz DPWRMOUBMXAVKB-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1C(C)=O ZINC000821736772 607369640 /nfs/dbraw/zinc/36/96/40/607369640.db2.gz NZXFTDCQOQYRBW-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM Clc1ccc(SCCn2cc(-c3nnn[n-]3)cn2)cc1 ZINC000737575549 599340601 /nfs/dbraw/zinc/34/06/01/599340601.db2.gz XKXANKFGNCYRJI-UHFFFAOYSA-N -1 3 306.782 2.509 20 0 DFADHM Clc1ccc(SCCn2cc(-c3nn[n-]n3)cn2)cc1 ZINC000737575549 599340603 /nfs/dbraw/zinc/34/06/03/599340603.db2.gz XKXANKFGNCYRJI-UHFFFAOYSA-N -1 3 306.782 2.509 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736237474 599341563 /nfs/dbraw/zinc/34/15/63/599341563.db2.gz PKMNLFAOUJEUKF-DFBGVHRSSA-N -1 3 311.389 2.660 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736237474 599341565 /nfs/dbraw/zinc/34/15/65/599341565.db2.gz PKMNLFAOUJEUKF-DFBGVHRSSA-N -1 3 311.389 2.660 20 0 DFADHM Clc1cccc(CSc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000822585526 599342650 /nfs/dbraw/zinc/34/26/50/599342650.db2.gz CGJBPKREJKCIHG-UHFFFAOYSA-N -1 3 304.766 2.602 20 0 DFADHM Clc1cccc(CSc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000822585526 599342647 /nfs/dbraw/zinc/34/26/47/599342647.db2.gz CGJBPKREJKCIHG-UHFFFAOYSA-N -1 3 304.766 2.602 20 0 DFADHM C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462256 599365165 /nfs/dbraw/zinc/36/51/65/599365165.db2.gz WKONMWQBZQTQBG-VIFPVBQESA-N -1 3 321.344 2.622 20 0 DFADHM C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462256 599365167 /nfs/dbraw/zinc/36/51/67/599365167.db2.gz WKONMWQBZQTQBG-VIFPVBQESA-N -1 3 321.344 2.622 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCCSC)s1 ZINC000736679252 599372826 /nfs/dbraw/zinc/37/28/26/599372826.db2.gz PTRNMZGXEQXAHB-UHFFFAOYSA-N -1 3 311.436 2.572 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000736244034 599375217 /nfs/dbraw/zinc/37/52/17/599375217.db2.gz DBXTZSCPKOWGOS-JTNHKYCSSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000736244034 599375218 /nfs/dbraw/zinc/37/52/18/599375218.db2.gz DBXTZSCPKOWGOS-JTNHKYCSSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)c2sccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736244754 599375833 /nfs/dbraw/zinc/37/58/33/599375833.db2.gz MWMYZQUTHSZDKB-YWVKMMECSA-N -1 3 306.391 2.910 20 0 DFADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1cc(F)ccc1F ZINC000820432619 599398350 /nfs/dbraw/zinc/39/83/50/599398350.db2.gz RBOBBPYOLYLKND-MRVPVSSYSA-N -1 3 305.288 2.589 20 0 DFADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1cc(F)ccc1F ZINC000820432619 599398354 /nfs/dbraw/zinc/39/83/54/599398354.db2.gz RBOBBPYOLYLKND-MRVPVSSYSA-N -1 3 305.288 2.589 20 0 DFADHM COc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cn1 ZINC000737095247 599402070 /nfs/dbraw/zinc/40/20/70/599402070.db2.gz FDIQVCVQZASDMN-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC000737095247 599402071 /nfs/dbraw/zinc/40/20/71/599402071.db2.gz FDIQVCVQZASDMN-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1OC ZINC000820927001 599403503 /nfs/dbraw/zinc/40/35/03/599403503.db2.gz YMRCSARFNYWNBH-CYBMUJFWSA-N -1 3 313.361 2.709 20 0 DFADHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1OC ZINC000820927001 599403506 /nfs/dbraw/zinc/40/35/06/599403506.db2.gz YMRCSARFNYWNBH-CYBMUJFWSA-N -1 3 313.361 2.709 20 0 DFADHM C[C@@H](NC(=O)NCCC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820365543 599408443 /nfs/dbraw/zinc/40/84/43/599408443.db2.gz KWBJPQDCHBKQNB-LLVKDONJSA-N -1 3 316.409 2.663 20 0 DFADHM C[C@@H](NC(=O)NCCC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820365543 599408445 /nfs/dbraw/zinc/40/84/45/599408445.db2.gz KWBJPQDCHBKQNB-LLVKDONJSA-N -1 3 316.409 2.663 20 0 DFADHM CCC[C@@H](CC)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821014090 599425332 /nfs/dbraw/zinc/42/53/32/599425332.db2.gz BPYZIYUXKAMRIC-BXUZGUMPSA-N -1 3 316.409 2.806 20 0 DFADHM CCC[C@@H](CC)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821014090 599425335 /nfs/dbraw/zinc/42/53/35/599425335.db2.gz BPYZIYUXKAMRIC-BXUZGUMPSA-N -1 3 316.409 2.806 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nc(C)c(C)o1 ZINC000821752930 607377862 /nfs/dbraw/zinc/37/78/62/607377862.db2.gz WOPPTZWBWWHDQV-UHFFFAOYSA-N -1 3 317.374 2.772 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nc(C)c(C)o1 ZINC000821752930 607377865 /nfs/dbraw/zinc/37/78/65/607377865.db2.gz WOPPTZWBWWHDQV-UHFFFAOYSA-N -1 3 317.374 2.772 20 0 DFADHM CN(Cc1cccc(F)c1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821613516 599465819 /nfs/dbraw/zinc/46/58/19/599465819.db2.gz QMTLKEOXFJMDSW-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1cccc(F)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821613516 599465821 /nfs/dbraw/zinc/46/58/21/599465821.db2.gz QMTLKEOXFJMDSW-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1ccc(F)c(F)c1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821610975 599468735 /nfs/dbraw/zinc/46/87/35/599468735.db2.gz MJRJFCMODXUQIE-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM CN(Cc1ccc(F)c(F)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821610975 599468738 /nfs/dbraw/zinc/46/87/38/599468738.db2.gz MJRJFCMODXUQIE-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM CO[C@@H](CNc1nc(C)cc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000821679031 599470094 /nfs/dbraw/zinc/47/00/94/599470094.db2.gz WHIGTPPZPSJKKD-AWEZNQCLSA-N -1 3 324.388 2.678 20 0 DFADHM CO[C@@H](CNc1nc(C)cc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000821679031 599470095 /nfs/dbraw/zinc/47/00/95/599470095.db2.gz WHIGTPPZPSJKKD-AWEZNQCLSA-N -1 3 324.388 2.678 20 0 DFADHM CN(CCc1ccc(F)cc1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821605163 599489544 /nfs/dbraw/zinc/48/95/44/599489544.db2.gz XWTKQQWLVKXTOA-UHFFFAOYSA-N -1 3 315.327 2.824 20 0 DFADHM CN(CCc1ccc(F)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821605163 599489546 /nfs/dbraw/zinc/48/95/46/599489546.db2.gz XWTKQQWLVKXTOA-UHFFFAOYSA-N -1 3 315.327 2.824 20 0 DFADHM CC(C)CN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000820081738 599499923 /nfs/dbraw/zinc/49/99/23/599499923.db2.gz TUUBBHISYRUDCX-UHFFFAOYSA-N -1 3 318.331 2.785 20 0 DFADHM CC(C)CN(C)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000820081738 599499920 /nfs/dbraw/zinc/49/99/20/599499920.db2.gz TUUBBHISYRUDCX-UHFFFAOYSA-N -1 3 318.331 2.785 20 0 DFADHM CCC[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821015455 599519415 /nfs/dbraw/zinc/51/94/15/599519415.db2.gz QFTVXNXTXWAFRV-NEPJUHHUSA-N -1 3 301.394 2.870 20 0 DFADHM CCC[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821015455 599519416 /nfs/dbraw/zinc/51/94/16/599519416.db2.gz QFTVXNXTXWAFRV-NEPJUHHUSA-N -1 3 301.394 2.870 20 0 DFADHM C[C@H](NC(=O)CC1=CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323006 599521173 /nfs/dbraw/zinc/52/11/73/599521173.db2.gz VSSQMWDNXYRFAE-LBPRGKRZSA-N -1 3 311.389 2.934 20 0 DFADHM C[C@H](NC(=O)CC1=CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323006 599521175 /nfs/dbraw/zinc/52/11/75/599521175.db2.gz VSSQMWDNXYRFAE-LBPRGKRZSA-N -1 3 311.389 2.934 20 0 DFADHM Cc1ccc(C[C@H](C)N(C)c2ncccc2-c2nnn[n-]2)cc1 ZINC000737334535 599531291 /nfs/dbraw/zinc/53/12/91/599531291.db2.gz IAYVWOOPWOOQIW-ZDUSSCGKSA-N -1 3 308.389 2.638 20 0 DFADHM Cc1ccc(C[C@H](C)N(C)c2ncccc2-c2nn[n-]n2)cc1 ZINC000737334535 599531293 /nfs/dbraw/zinc/53/12/93/599531293.db2.gz IAYVWOOPWOOQIW-ZDUSSCGKSA-N -1 3 308.389 2.638 20 0 DFADHM C[C@@H](NC(=O)C=C(C1CC1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323041 599533409 /nfs/dbraw/zinc/53/34/09/599533409.db2.gz WOSMLXMUYOCOOP-LLVKDONJSA-N -1 3 323.400 2.790 20 0 DFADHM C[C@@H](NC(=O)C=C(C1CC1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323041 599533410 /nfs/dbraw/zinc/53/34/10/599533410.db2.gz WOSMLXMUYOCOOP-LLVKDONJSA-N -1 3 323.400 2.790 20 0 DFADHM CSCCCCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821960965 599538343 /nfs/dbraw/zinc/53/83/43/599538343.db2.gz GRMQOJOITXQGPJ-LLVKDONJSA-N -1 3 319.434 2.577 20 0 DFADHM CSCCCCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821960965 599538341 /nfs/dbraw/zinc/53/83/41/599538341.db2.gz GRMQOJOITXQGPJ-LLVKDONJSA-N -1 3 319.434 2.577 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822226087 599543666 /nfs/dbraw/zinc/54/36/66/599543666.db2.gz CDZNOJMLUHOEPC-GFCCVEGCSA-N -1 3 307.357 2.666 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822226087 599543668 /nfs/dbraw/zinc/54/36/68/599543668.db2.gz CDZNOJMLUHOEPC-GFCCVEGCSA-N -1 3 307.357 2.666 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)CC1CCC1 ZINC000822331260 599551374 /nfs/dbraw/zinc/55/13/74/599551374.db2.gz AHLRZBYAAXMZGA-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)CC1CCC1 ZINC000822331260 599551375 /nfs/dbraw/zinc/55/13/75/599551375.db2.gz AHLRZBYAAXMZGA-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000823359342 599554176 /nfs/dbraw/zinc/55/41/76/599554176.db2.gz LZCQJHSVNOJJBW-SMDDNHRTSA-N -1 3 312.377 2.663 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000823359342 599554178 /nfs/dbraw/zinc/55/41/78/599554178.db2.gz LZCQJHSVNOJJBW-SMDDNHRTSA-N -1 3 312.377 2.663 20 0 DFADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820686043 599557354 /nfs/dbraw/zinc/55/73/54/599557354.db2.gz WMJDHBLCNYZZMX-QWRGUYRKSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820686043 599557356 /nfs/dbraw/zinc/55/73/56/599557356.db2.gz WMJDHBLCNYZZMX-QWRGUYRKSA-N -1 3 300.366 2.519 20 0 DFADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CC=CCC3)c2c1 ZINC000822195022 599564112 /nfs/dbraw/zinc/56/41/12/599564112.db2.gz DOQLHLPEOANFFG-CYBMUJFWSA-N -1 3 320.400 2.974 20 0 DFADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CC=CCC3)c2c1 ZINC000822195022 599564114 /nfs/dbraw/zinc/56/41/14/599564114.db2.gz DOQLHLPEOANFFG-CYBMUJFWSA-N -1 3 320.400 2.974 20 0 DFADHM CCc1cnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000821499657 599567408 /nfs/dbraw/zinc/56/74/08/599567408.db2.gz OFBSOFQBIOXYDP-UHFFFAOYSA-N -1 3 324.388 2.582 20 0 DFADHM CCc1cnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000821499657 599567411 /nfs/dbraw/zinc/56/74/11/599567411.db2.gz OFBSOFQBIOXYDP-UHFFFAOYSA-N -1 3 324.388 2.582 20 0 DFADHM Cc1ccc([C@@H](O)CNc2c(Cl)cccc2-c2nnn[n-]2)o1 ZINC000822230743 599571844 /nfs/dbraw/zinc/57/18/44/599571844.db2.gz OZJSLLOSMJICHM-NSHDSACASA-N -1 3 319.752 2.567 20 0 DFADHM Cc1ccc([C@@H](O)CNc2c(Cl)cccc2-c2nn[n-]n2)o1 ZINC000822230743 599571845 /nfs/dbraw/zinc/57/18/45/599571845.db2.gz OZJSLLOSMJICHM-NSHDSACASA-N -1 3 319.752 2.567 20 0 DFADHM COc1ccc([C@@H](C)CCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000821777432 599587768 /nfs/dbraw/zinc/58/77/68/599587768.db2.gz FECMEOACECDMID-LBPRGKRZSA-N -1 3 324.388 2.876 20 0 DFADHM COc1ccc([C@@H](C)CCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000821777432 599587770 /nfs/dbraw/zinc/58/77/70/599587770.db2.gz FECMEOACECDMID-LBPRGKRZSA-N -1 3 324.388 2.876 20 0 DFADHM C[C@H](C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccsc1 ZINC000735571844 599608178 /nfs/dbraw/zinc/60/81/78/599608178.db2.gz LACKAYKOTHVBNN-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@H](C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccsc1 ZINC000735571844 599608180 /nfs/dbraw/zinc/60/81/80/599608180.db2.gz LACKAYKOTHVBNN-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@@H](C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000820489104 599621307 /nfs/dbraw/zinc/62/13/07/599621307.db2.gz ZGJCPSSBOVXRKW-MNOVXSKESA-N -1 3 312.329 2.868 20 0 DFADHM C[C@@H](C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000820489104 599621308 /nfs/dbraw/zinc/62/13/08/599621308.db2.gz ZGJCPSSBOVXRKW-MNOVXSKESA-N -1 3 312.329 2.868 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)OCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822227550 599624066 /nfs/dbraw/zinc/62/40/66/599624066.db2.gz MWFDVGYXWJWNJC-LLVKDONJSA-N -1 3 312.329 2.615 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)OCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822227550 599624067 /nfs/dbraw/zinc/62/40/67/599624067.db2.gz MWFDVGYXWJWNJC-LLVKDONJSA-N -1 3 312.329 2.615 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(F)c1Cl ZINC000823368023 599629179 /nfs/dbraw/zinc/62/91/79/599629179.db2.gz ROEMGSMQNMEHHH-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(F)c1Cl ZINC000823368023 599629180 /nfs/dbraw/zinc/62/91/80/599629180.db2.gz ROEMGSMQNMEHHH-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1c(F)cc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000823289688 599634733 /nfs/dbraw/zinc/63/47/33/599634733.db2.gz MKUMHJWIAKDVSG-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1c(F)cc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000823289688 599634734 /nfs/dbraw/zinc/63/47/34/599634734.db2.gz MKUMHJWIAKDVSG-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM C[C@@H]1COc2ccccc2N1Cc1ccccc1-c1nnn[n-]1 ZINC000820814946 599643454 /nfs/dbraw/zinc/64/34/54/599643454.db2.gz ZLXUERHHGRLHPZ-GFCCVEGCSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@@H]1COc2ccccc2N1Cc1ccccc1-c1nn[n-]n1 ZINC000820814946 599643455 /nfs/dbraw/zinc/64/34/55/599643455.db2.gz ZLXUERHHGRLHPZ-GFCCVEGCSA-N -1 3 307.357 2.654 20 0 DFADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820966929 599647946 /nfs/dbraw/zinc/64/79/46/599647946.db2.gz IXUWRHXQSPNFMG-GWCFXTLKSA-N -1 3 300.366 2.519 20 0 DFADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820966929 599647947 /nfs/dbraw/zinc/64/79/47/599647947.db2.gz IXUWRHXQSPNFMG-GWCFXTLKSA-N -1 3 300.366 2.519 20 0 DFADHM CCC1(CNc2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC000820962759 599688872 /nfs/dbraw/zinc/68/88/72/599688872.db2.gz YWFJGBRIBKKXPJ-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM CCC1(CNc2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC000820962759 599688873 /nfs/dbraw/zinc/68/88/73/599688873.db2.gz YWFJGBRIBKKXPJ-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM CC(C)Oc1ccc(NC(=O)[C@H](C)C2CC2)cc1-c1nnn[n-]1 ZINC000820161616 607396539 /nfs/dbraw/zinc/39/65/39/607396539.db2.gz YOWJQGVDNPLDLF-SNVBAGLBSA-N -1 3 315.377 2.639 20 0 DFADHM CC(C)Oc1ccc(NC(=O)[C@H](C)C2CC2)cc1-c1nn[n-]n1 ZINC000820161616 607396541 /nfs/dbraw/zinc/39/65/41/607396541.db2.gz YOWJQGVDNPLDLF-SNVBAGLBSA-N -1 3 315.377 2.639 20 0 DFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(Cn2cccn2)CC1 ZINC000736716671 599918348 /nfs/dbraw/zinc/91/83/48/599918348.db2.gz IOKHQWHNODOEND-LBPRGKRZSA-N -1 3 303.362 2.648 20 0 DFADHM CCc1nccn1[C@@H]1CCCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000737284275 599921263 /nfs/dbraw/zinc/92/12/63/599921263.db2.gz GCHBGTVAJQJOCR-CQSZACIVSA-N -1 3 317.389 2.882 20 0 DFADHM C[C@@H]1CCC[C@H](C)N1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736776713 599927996 /nfs/dbraw/zinc/92/79/96/599927996.db2.gz XCRWDUVSMMOMBV-BETUJISGSA-N -1 3 319.405 2.656 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)C(C)(C)C ZINC000826252466 607409010 /nfs/dbraw/zinc/40/90/10/607409010.db2.gz DMTIWYPELMEEDW-LLVKDONJSA-N -1 3 302.378 2.901 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)C(C)(C)C ZINC000826252466 607409012 /nfs/dbraw/zinc/40/90/12/607409012.db2.gz DMTIWYPELMEEDW-LLVKDONJSA-N -1 3 302.378 2.901 20 0 DFADHM C[C@@H](CN(Cn1ccc(-c2cccs2)n1)C1CC1)C(=O)[O-] ZINC000736581565 600073889 /nfs/dbraw/zinc/07/38/89/600073889.db2.gz JGYHMNAWJQXNAY-NSHDSACASA-N -1 3 305.403 2.754 20 0 DFADHM CCCN(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)CC(C)C ZINC000737021185 600090754 /nfs/dbraw/zinc/09/07/54/600090754.db2.gz QONAUXKMDQHPFY-UHFFFAOYSA-N -1 3 317.389 2.902 20 0 DFADHM CC(C)(C)/C=C\C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824077947 607426333 /nfs/dbraw/zinc/42/63/33/607426333.db2.gz GBQOWTPYFFGHHE-FPLPWBNLSA-N -1 3 311.389 2.574 20 0 DFADHM CC(C)(C)/C=C\C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824077947 607426334 /nfs/dbraw/zinc/42/63/34/607426334.db2.gz GBQOWTPYFFGHHE-FPLPWBNLSA-N -1 3 311.389 2.574 20 0 DFADHM CN(CC[S@@](=O)c1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737450013 600210583 /nfs/dbraw/zinc/21/05/83/600210583.db2.gz WUNAQUGZSSFKGA-KSFYIVLOSA-N -1 3 317.410 2.552 20 0 DFADHM CC[C@@H](C)CN(C)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736879690 600324468 /nfs/dbraw/zinc/32/44/68/600324468.db2.gz GLNXRPDHHBYBJX-DGCLKSJQSA-N -1 3 306.406 2.998 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000824040453 607439817 /nfs/dbraw/zinc/43/98/17/607439817.db2.gz QFZQOEYMWTUSKF-SNVBAGLBSA-N -1 3 313.386 2.695 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000824040453 607439818 /nfs/dbraw/zinc/43/98/18/607439818.db2.gz QFZQOEYMWTUSKF-SNVBAGLBSA-N -1 3 313.386 2.695 20 0 DFADHM CCN(Cc1cnn(C)c1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737108152 600403782 /nfs/dbraw/zinc/40/37/82/600403782.db2.gz OEHGSDBIIVUTDC-CQSZACIVSA-N -1 3 307.781 2.721 20 0 DFADHM COCc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737834415 600421665 /nfs/dbraw/zinc/42/16/65/600421665.db2.gz DBQYCRYFVZDWMA-MRXNPFEDSA-N -1 3 303.333 2.888 20 0 DFADHM Cc1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1O ZINC000826254488 607445555 /nfs/dbraw/zinc/44/55/55/607445555.db2.gz OBKGTFQZJTUNFF-UHFFFAOYSA-N -1 3 324.340 2.546 20 0 DFADHM Cc1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1O ZINC000826254488 607445556 /nfs/dbraw/zinc/44/55/56/607445556.db2.gz OBKGTFQZJTUNFF-UHFFFAOYSA-N -1 3 324.340 2.546 20 0 DFADHM CC(C)(C)[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C(=O)[O-] ZINC000736243313 600553279 /nfs/dbraw/zinc/55/32/79/600553279.db2.gz AAVGRFNVPKMHJD-OAHLLOKOSA-N -1 3 318.417 2.512 20 0 DFADHM CC[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1C)N(CC)CC ZINC000736850597 600565211 /nfs/dbraw/zinc/56/52/11/600565211.db2.gz XGKAWUANJMPCEU-OAHLLOKOSA-N -1 3 322.405 2.517 20 0 DFADHM CC[C@@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)N(CC)CC ZINC000736846865 600587807 /nfs/dbraw/zinc/58/78/07/600587807.db2.gz ISAQBEHIZBBSQP-HNNXBMFYSA-N -1 3 306.406 2.763 20 0 DFADHM Cc1ccc(OCCN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832952677 600732411 /nfs/dbraw/zinc/73/24/11/600732411.db2.gz YORSNBUOMZQSCL-INIZCTEOSA-N -1 3 303.333 2.928 20 0 DFADHM Cc1ccc(OCCN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832952678 600732429 /nfs/dbraw/zinc/73/24/29/600732429.db2.gz YORSNBUOMZQSCL-MRXNPFEDSA-N -1 3 303.333 2.928 20 0 DFADHM C[C@H](O)CN(Cc1ccccc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736678083 600793377 /nfs/dbraw/zinc/79/33/77/600793377.db2.gz SSATXNMBNIPDSH-ZDUSSCGKSA-N -1 3 317.360 2.907 20 0 DFADHM O=C([O-])[C@@H]1CC12CCN(C[C@H](O)c1cccc(Cl)c1)CC2 ZINC000833178393 600830192 /nfs/dbraw/zinc/83/01/92/600830192.db2.gz QFBSVVSPRJYCHI-KBPBESRZSA-N -1 3 309.793 2.560 20 0 DFADHM CCC(CC)(NC(=O)c1cccc(CN2CCCC2)c1)C(=O)[O-] ZINC000828842058 600926827 /nfs/dbraw/zinc/92/68/27/600926827.db2.gz OGKAAMQHEQECNP-UHFFFAOYSA-N -1 3 318.417 2.656 20 0 DFADHM CCCN1CCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000737030250 600932491 /nfs/dbraw/zinc/93/24/91/600932491.db2.gz OSFVHXFSCPRYHJ-OAHLLOKOSA-N -1 3 318.417 2.862 20 0 DFADHM CCSCCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000737231530 600951734 /nfs/dbraw/zinc/95/17/34/600951734.db2.gz NTAFQPAFFAJEDO-CYBMUJFWSA-N -1 3 308.447 2.648 20 0 DFADHM C[C@@H]1[C@@H](C)CCCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736795287 600968455 /nfs/dbraw/zinc/96/84/55/600968455.db2.gz UTPAQROTSWZFAV-QWHCGFSZSA-N -1 3 319.405 2.513 20 0 DFADHM CN(C(=O)CN1CCCC(C)(C)CC1)c1ccccc1C(=O)[O-] ZINC000737324129 600980251 /nfs/dbraw/zinc/98/02/51/600980251.db2.gz KXPIKJVFTBPDBB-UHFFFAOYSA-N -1 3 318.417 2.860 20 0 DFADHM O=C([O-])c1ccc(NC(=O)CN2CCC[C@H]3CCC[C@H]32)cc1 ZINC000833105181 601017750 /nfs/dbraw/zinc/01/77/50/601017750.db2.gz JJOHJZLQCMSCMU-IUODEOHRSA-N -1 3 302.374 2.588 20 0 DFADHM Cc1ccc(NC(=O)[C@H](C)N2CCCCCC2)cc1C(=O)[O-] ZINC000832942629 601066391 /nfs/dbraw/zinc/06/63/91/601066391.db2.gz HUKWVPAKURIAKY-ZDUSSCGKSA-N -1 3 304.390 2.896 20 0 DFADHM CC[C@H]1CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000829125969 601498255 /nfs/dbraw/zinc/49/82/55/601498255.db2.gz RMEBHZBPTONDCV-OLZOCXBDSA-N -1 3 304.390 2.752 20 0 DFADHM Cc1cccc(-c2nnc([C@H](C)N3C[C@H](C)[C@H](C(=O)[O-])C3)o2)c1 ZINC000832960508 601501939 /nfs/dbraw/zinc/50/19/39/601501939.db2.gz IYHCRBYYIJEPIS-SGMGOOAPSA-N -1 3 315.373 2.759 20 0 DFADHM Cc1ccccc1-c1cnc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000832975279 601511436 /nfs/dbraw/zinc/51/14/36/601511436.db2.gz SXMBETVCKCUSJT-GXTWGEPZSA-N -1 3 300.358 2.803 20 0 DFADHM COc1ccc(-c2nc(CN3C[C@@H](C)[C@H](C(=O)[O-])C3)co2)cc1 ZINC000832130112 601524540 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316.390 2.723 20 0 DFADHM CN(C)Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000830619316 602187710 /nfs/dbraw/zinc/18/77/10/602187710.db2.gz BPMXQDDCPUPAIY-UHFFFAOYSA-N -1 3 304.371 2.760 20 0 DFADHM CCC(CC)(CC(=O)[O-])NCc1csc([C@@H](C)OC)n1 ZINC000828804939 602212149 /nfs/dbraw/zinc/21/21/49/602212149.db2.gz XIDNKWNKDBZXOE-SNVBAGLBSA-N -1 3 300.424 2.974 20 0 DFADHM COc1ccc(CNc2ccc(Cl)cn2)cc1-c1nnn[n-]1 ZINC000826203772 607557956 /nfs/dbraw/zinc/55/79/56/607557956.db2.gz FSEMCZLNYLSFHT-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(CNc2ccc(Cl)cn2)cc1-c1nn[n-]n1 ZINC000826203772 607557957 /nfs/dbraw/zinc/55/79/57/607557957.db2.gz FSEMCZLNYLSFHT-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CN(CC1CCN(CCOc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000739664164 602387491 /nfs/dbraw/zinc/38/74/91/602387491.db2.gz IVFUGWKBKDGOSD-UHFFFAOYSA-N -1 3 310.369 2.526 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(F)c(F)cc1F ZINC000826457191 607571595 /nfs/dbraw/zinc/57/15/95/607571595.db2.gz 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606461005 /nfs/dbraw/zinc/46/10/05/606461005.db2.gz GBQIAPGHBGUIJG-UHFFFAOYSA-N -1 3 316.342 2.546 20 0 DFADHM CCOc1ccccc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821436831 606461008 /nfs/dbraw/zinc/46/10/08/606461008.db2.gz GBQIAPGHBGUIJG-UHFFFAOYSA-N -1 3 316.342 2.546 20 0 DFADHM Cc1ccccc1-c1noc(-c2cc(-c3nnn[n-]3)cs2)n1 ZINC000822344856 606471008 /nfs/dbraw/zinc/47/10/08/606471008.db2.gz BWBQCHVXEPHOMC-UHFFFAOYSA-N -1 3 310.342 2.954 20 0 DFADHM Cc1ccccc1-c1noc(-c2cc(-c3nn[n-]n3)cs2)n1 ZINC000822344856 606471010 /nfs/dbraw/zinc/47/10/10/606471010.db2.gz BWBQCHVXEPHOMC-UHFFFAOYSA-N -1 3 310.342 2.954 20 0 DFADHM CC(C)[C@@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820046268 606471870 /nfs/dbraw/zinc/47/18/70/606471870.db2.gz RAQUEAVMEALDAB-HZMBPMFUSA-N -1 3 321.812 2.993 20 0 DFADHM CC(C)[C@@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820046268 606471872 /nfs/dbraw/zinc/47/18/72/606471872.db2.gz RAQUEAVMEALDAB-HZMBPMFUSA-N -1 3 321.812 2.993 20 0 DFADHM 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/nfs/dbraw/zinc/48/13/51/606481351.db2.gz OWOSAXUIDUMSAX-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1cc(Cl)ccc1F)c1cc(-c2nnn[n-]2)cs1 ZINC000823299154 606482850 /nfs/dbraw/zinc/48/28/50/606482850.db2.gz KDUOBRTYVZHKQH-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1cc(Cl)ccc1F)c1cc(-c2nn[n-]n2)cs1 ZINC000823299154 606482851 /nfs/dbraw/zinc/48/28/51/606482851.db2.gz KDUOBRTYVZHKQH-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM C[C@H](c1ccccc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820563707 606483520 /nfs/dbraw/zinc/48/35/20/606483520.db2.gz UBGHVOMGVOVGBQ-SNVBAGLBSA-N -1 3 313.386 2.761 20 0 DFADHM C[C@H](c1ccccc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820563707 606483521 /nfs/dbraw/zinc/48/35/21/606483521.db2.gz UBGHVOMGVOVGBQ-SNVBAGLBSA-N -1 3 313.386 2.761 20 0 DFADHM CCc1cccc(C)c1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821492678 606485838 /nfs/dbraw/zinc/48/58/38/606485838.db2.gz SPTRFSMTTYGGGV-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM CCc1cccc(C)c1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821492678 606485840 /nfs/dbraw/zinc/48/58/40/606485840.db2.gz SPTRFSMTTYGGGV-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM CSc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821984838 606485996 /nfs/dbraw/zinc/48/59/96/606485996.db2.gz VCNFWZIJQJMVLQ-UHFFFAOYSA-N -1 3 317.399 2.902 20 0 DFADHM CSc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821984838 606485997 /nfs/dbraw/zinc/48/59/97/606485997.db2.gz VCNFWZIJQJMVLQ-UHFFFAOYSA-N -1 3 317.399 2.902 20 0 DFADHM CC(C)(C)CC(C)(C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819906336 606486307 /nfs/dbraw/zinc/48/63/07/606486307.db2.gz FBSZRJSBGSDSNS-UHFFFAOYSA-N -1 3 307.423 2.873 20 0 DFADHM CC(C)(C)CC(C)(C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819906336 606486309 /nfs/dbraw/zinc/48/63/09/606486309.db2.gz FBSZRJSBGSDSNS-UHFFFAOYSA-N -1 3 307.423 2.873 20 0 DFADHM CCC1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820973299 606491708 /nfs/dbraw/zinc/49/17/08/606491708.db2.gz WBRTXLSCAXFDNP-UHFFFAOYSA-N -1 3 319.434 2.969 20 0 DFADHM CCC1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820973299 606491710 /nfs/dbraw/zinc/49/17/10/606491710.db2.gz WBRTXLSCAXFDNP-UHFFFAOYSA-N -1 3 319.434 2.969 20 0 DFADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(C1CC1)C1CCCCC1 ZINC000823467621 606492571 /nfs/dbraw/zinc/49/25/71/606492571.db2.gz ZHZFNQLZTQIGLE-UHFFFAOYSA-N -1 3 317.418 2.866 20 0 DFADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(C1CC1)C1CCCCC1 ZINC000823467621 606492572 /nfs/dbraw/zinc/49/25/72/606492572.db2.gz ZHZFNQLZTQIGLE-UHFFFAOYSA-N -1 3 317.418 2.866 20 0 DFADHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc21 ZINC000820744216 606494440 /nfs/dbraw/zinc/49/44/40/606494440.db2.gz WZYIOYFXROWKPB-VIFPVBQESA-N -1 3 311.370 2.692 20 0 DFADHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc21 ZINC000820744216 606494441 /nfs/dbraw/zinc/49/44/41/606494441.db2.gz WZYIOYFXROWKPB-VIFPVBQESA-N -1 3 311.370 2.692 20 0 DFADHM Cc1cscc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822414653 606504155 /nfs/dbraw/zinc/50/41/55/606504155.db2.gz OMGHOBKJAZGJNV-JTQLQIEISA-N 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/nfs/dbraw/zinc/51/70/77/606517077.db2.gz KYEMDOYSEHERIE-UHFFFAOYSA-N -1 3 323.381 2.620 20 0 DFADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC2(CC2)c2ccccc21 ZINC000823466389 606517078 /nfs/dbraw/zinc/51/70/78/606517078.db2.gz KYEMDOYSEHERIE-UHFFFAOYSA-N -1 3 323.381 2.620 20 0 DFADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821035051 606519235 /nfs/dbraw/zinc/51/92/35/606519235.db2.gz ZUSGCZQZGJIGKJ-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821035051 606519236 /nfs/dbraw/zinc/51/92/36/606519236.db2.gz ZUSGCZQZGJIGKJ-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM CCC1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820949450 606539837 /nfs/dbraw/zinc/53/98/37/606539837.db2.gz ACUOQSRMBAWSFH-UHFFFAOYSA-N -1 3 305.407 2.581 20 0 DFADHM CCC1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820949450 606539838 /nfs/dbraw/zinc/53/98/38/606539838.db2.gz ACUOQSRMBAWSFH-UHFFFAOYSA-N -1 3 305.407 2.581 20 0 DFADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(F)c1 ZINC000822226596 606539929 /nfs/dbraw/zinc/53/99/29/606539929.db2.gz ZMUBMFXHSMPATK-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(F)c1 ZINC000822226596 606539930 /nfs/dbraw/zinc/53/99/30/606539930.db2.gz ZMUBMFXHSMPATK-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CC(C)(C)CCCCNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819907498 606551077 /nfs/dbraw/zinc/55/10/77/606551077.db2.gz PFUDLEFUDLAZDM-UHFFFAOYSA-N -1 3 315.421 2.742 20 0 DFADHM CC(C)(C)CCCCNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819907498 606551079 /nfs/dbraw/zinc/55/10/79/606551079.db2.gz PFUDLEFUDLAZDM-UHFFFAOYSA-N -1 3 315.421 2.742 20 0 DFADHM Cc1cc2cc(NC(=O)c3cc(-c4nnn[n-]4)cs3)ccc2[nH]1 ZINC000822213198 606553995 /nfs/dbraw/zinc/55/39/95/606553995.db2.gz YRLZWNFYSFUEGK-UHFFFAOYSA-N -1 3 324.369 2.970 20 0 DFADHM Cc1cc2cc(NC(=O)c3cc(-c4nn[n-]n4)cs3)ccc2[nH]1 ZINC000822213198 606553996 /nfs/dbraw/zinc/55/39/96/606553996.db2.gz YRLZWNFYSFUEGK-UHFFFAOYSA-N -1 3 324.369 2.970 20 0 DFADHM C[C@@H](CCC(C)(C)C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820240593 606567508 /nfs/dbraw/zinc/56/75/08/606567508.db2.gz CNEKNHXFNRRAON-LBPRGKRZSA-N -1 3 315.421 2.740 20 0 DFADHM C[C@@H](CCC(C)(C)C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820240593 606567510 /nfs/dbraw/zinc/56/75/10/606567510.db2.gz CNEKNHXFNRRAON-LBPRGKRZSA-N -1 3 315.421 2.740 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]1C ZINC000820717548 606570046 /nfs/dbraw/zinc/57/00/46/606570046.db2.gz SKZPAKRPTPVWPV-BDAKNGLRSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]1C ZINC000820717548 606570048 /nfs/dbraw/zinc/57/00/48/606570048.db2.gz SKZPAKRPTPVWPV-BDAKNGLRSA-N -1 3 320.784 2.782 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)(C)CC(C)C ZINC000821699101 606602886 /nfs/dbraw/zinc/60/28/86/606602886.db2.gz BQXXGMPKGIOHLH-UHFFFAOYSA-N -1 3 318.377 2.853 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)(C)CC(C)C ZINC000821699101 606602887 /nfs/dbraw/zinc/60/28/87/606602887.db2.gz BQXXGMPKGIOHLH-UHFFFAOYSA-N -1 3 318.377 2.853 20 0 DFADHM C[C@H](OC(=O)CCc1ccoc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820497695 606612479 /nfs/dbraw/zinc/61/24/79/606612479.db2.gz UQVCOICOSADAEZ-NSHDSACASA-N -1 3 312.329 2.697 20 0 DFADHM C[C@H](OC(=O)CCc1ccoc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820497695 606612480 /nfs/dbraw/zinc/61/24/80/606612480.db2.gz UQVCOICOSADAEZ-NSHDSACASA-N -1 3 312.329 2.697 20 0 DFADHM CC(C)CN(C(=O)C1CC(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081583 606618605 /nfs/dbraw/zinc/61/86/05/606618605.db2.gz LYACAMGABJWDGU-UHFFFAOYSA-N -1 3 313.405 2.902 20 0 DFADHM CC(C)CN(C(=O)C1CC(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081583 606618607 /nfs/dbraw/zinc/61/86/07/606618607.db2.gz LYACAMGABJWDGU-UHFFFAOYSA-N -1 3 313.405 2.902 20 0 DFADHM CCN(C(=O)C1CC(C)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147676 606619237 /nfs/dbraw/zinc/61/92/37/606619237.db2.gz IAIXRSSEXJDDIJ-AVERBVTBSA-N -1 3 313.405 2.822 20 0 DFADHM CCN(C(=O)C1CC(C)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147676 606619239 /nfs/dbraw/zinc/61/92/39/606619239.db2.gz IAIXRSSEXJDDIJ-AVERBVTBSA-N -1 3 313.405 2.822 20 0 DFADHM CCN(C(=O)c1cc[nH]c1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160968 606627862 /nfs/dbraw/zinc/62/78/62/606627862.db2.gz SGUOOBHRHPKQNI-LBPRGKRZSA-N -1 3 324.388 2.727 20 0 DFADHM CCN(C(=O)c1cc[nH]c1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160968 606627864 /nfs/dbraw/zinc/62/78/64/606627864.db2.gz SGUOOBHRHPKQNI-LBPRGKRZSA-N -1 3 324.388 2.727 20 0 DFADHM CC(C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)=C1CCCC1 ZINC000819883226 606635791 /nfs/dbraw/zinc/63/57/91/606635791.db2.gz GBWCEBRNQZJGIX-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM CC(C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)=C1CCCC1 ZINC000819883226 606635792 /nfs/dbraw/zinc/63/57/92/606635792.db2.gz GBWCEBRNQZJGIX-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820674476 606635823 /nfs/dbraw/zinc/63/58/23/606635823.db2.gz DCTAQELTHLDFPY-VUBLIPMDSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820674476 606635824 /nfs/dbraw/zinc/63/58/24/606635824.db2.gz DCTAQELTHLDFPY-VUBLIPMDSA-N -1 3 316.336 2.795 20 0 DFADHM Fc1ccc(NCc2cccc(-c3nnn[n-]3)c2)c(F)c1F ZINC000822783140 606643140 /nfs/dbraw/zinc/64/31/40/606643140.db2.gz XDRUJSVXGNAYLS-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(NCc2cccc(-c3nn[n-]n3)c2)c(F)c1F ZINC000822783140 606643141 /nfs/dbraw/zinc/64/31/41/606643141.db2.gz XDRUJSVXGNAYLS-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CC(C)[C@@H](C)N(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820016174 606655392 /nfs/dbraw/zinc/65/53/92/606655392.db2.gz KEUIYMQIKYDIEI-LLVKDONJSA-N -1 3 314.393 2.908 20 0 DFADHM CC(C)[C@@H](C)N(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820016174 606655393 /nfs/dbraw/zinc/65/53/93/606655393.db2.gz KEUIYMQIKYDIEI-LLVKDONJSA-N -1 3 314.393 2.908 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823368480 606664095 /nfs/dbraw/zinc/66/40/95/606664095.db2.gz YCCDILNZDVOBAE-HIFRSBDPSA-N -1 3 319.368 2.684 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823368480 606664096 /nfs/dbraw/zinc/66/40/96/606664096.db2.gz YCCDILNZDVOBAE-HIFRSBDPSA-N -1 3 319.368 2.684 20 0 DFADHM O=C(OCc1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823430216 606664224 /nfs/dbraw/zinc/66/42/24/606664224.db2.gz HZSATAATEXAFMG-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823430216 606664225 /nfs/dbraw/zinc/66/42/25/606664225.db2.gz HZSATAATEXAFMG-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C1CCC1 ZINC000820151258 606672424 /nfs/dbraw/zinc/67/24/24/606672424.db2.gz FDGNYHKDHUCKHJ-UHFFFAOYSA-N -1 3 313.361 2.703 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C1CCC1 ZINC000820151258 606672425 /nfs/dbraw/zinc/67/24/25/606672425.db2.gz FDGNYHKDHUCKHJ-UHFFFAOYSA-N -1 3 313.361 2.703 20 0 DFADHM CCc1c(C)sc(NC(=O)C=C2CCC2)c1-c1nnn[n-]1 ZINC000821465757 606677074 /nfs/dbraw/zinc/67/70/74/606677074.db2.gz OAPVEFPECDGQHO-UHFFFAOYSA-N -1 3 303.391 2.848 20 0 DFADHM CCc1c(C)sc(NC(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC000821465757 606677075 /nfs/dbraw/zinc/67/70/75/606677075.db2.gz OAPVEFPECDGQHO-UHFFFAOYSA-N -1 3 303.391 2.848 20 0 DFADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(C)n1 ZINC000822242130 606692911 /nfs/dbraw/zinc/69/29/11/606692911.db2.gz AREVLTVTWLXIET-CSKARUKUSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(C)n1 ZINC000822242130 606692912 /nfs/dbraw/zinc/69/29/12/606692912.db2.gz AREVLTVTWLXIET-CSKARUKUSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1nc(CNc2ccc(F)c(-c3nnn[n-]3)c2)sc1C ZINC000822444693 606707803 /nfs/dbraw/zinc/70/78/03/606707803.db2.gz XTVMWAFXDDWIOS-UHFFFAOYSA-N -1 3 304.354 2.691 20 0 DFADHM Cc1nc(CNc2ccc(F)c(-c3nn[n-]n3)c2)sc1C ZINC000822444693 606707805 /nfs/dbraw/zinc/70/78/05/606707805.db2.gz XTVMWAFXDDWIOS-UHFFFAOYSA-N -1 3 304.354 2.691 20 0 DFADHM Cc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000822248951 606718486 /nfs/dbraw/zinc/71/84/86/606718486.db2.gz VXULGLKPVUTBBY-UHFFFAOYSA-N -1 3 309.333 2.523 20 0 DFADHM Cc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000822248951 606718488 /nfs/dbraw/zinc/71/84/88/606718488.db2.gz VXULGLKPVUTBBY-UHFFFAOYSA-N -1 3 309.333 2.523 20 0 DFADHM COCCC1(CNc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC000821687120 606722908 /nfs/dbraw/zinc/72/29/08/606722908.db2.gz PHYUDILARURNSB-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM COCCC1(CNc2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC000821687120 606722910 /nfs/dbraw/zinc/72/29/10/606722910.db2.gz PHYUDILARURNSB-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1=CCCC1 ZINC000823298950 606727908 /nfs/dbraw/zinc/72/79/08/606727908.db2.gz ALJINSODBGLCMY-UHFFFAOYSA-N -1 3 321.287 2.517 20 0 DFADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1=CCCC1 ZINC000823298950 606727910 /nfs/dbraw/zinc/72/79/10/606727910.db2.gz ALJINSODBGLCMY-UHFFFAOYSA-N -1 3 321.287 2.517 20 0 DFADHM Clc1cc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1-c1nnn[n-]1 ZINC000822567953 606729350 /nfs/dbraw/zinc/72/93/50/606729350.db2.gz JIZSTTCQNGEUTQ-YUTCNCBUSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1cc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1-c1nn[n-]n1 ZINC000822567953 606729351 /nfs/dbraw/zinc/72/93/51/606729351.db2.gz JIZSTTCQNGEUTQ-YUTCNCBUSA-N -1 3 319.796 2.890 20 0 DFADHM CCC(CC)(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820881589 606730499 /nfs/dbraw/zinc/73/04/99/606730499.db2.gz BTPBPYIOUUZLEN-UHFFFAOYSA-N -1 3 319.384 2.838 20 0 DFADHM CCC(CC)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820881589 606730501 /nfs/dbraw/zinc/73/05/01/606730501.db2.gz BTPBPYIOUUZLEN-UHFFFAOYSA-N -1 3 319.384 2.838 20 0 DFADHM CCCC1(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821026917 606765585 /nfs/dbraw/zinc/76/55/85/606765585.db2.gz HAIOAUVQMBAUAX-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCCC1(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821026917 606765587 /nfs/dbraw/zinc/76/55/87/606765587.db2.gz HAIOAUVQMBAUAX-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CSc1cc(C)ccc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000821978214 606772834 /nfs/dbraw/zinc/77/28/34/606772834.db2.gz KKXJJKZZNKQWNG-UHFFFAOYSA-N -1 3 315.402 2.780 20 0 DFADHM CSc1cc(C)ccc1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000821978214 606772836 /nfs/dbraw/zinc/77/28/36/606772836.db2.gz KKXJJKZZNKQWNG-UHFFFAOYSA-N -1 3 315.402 2.780 20 0 DFADHM C[C@H](NC(=O)C(F)=C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314503 606833927 /nfs/dbraw/zinc/83/39/27/606833927.db2.gz JXITXNYLKVZLJY-JTQLQIEISA-N -1 3 315.352 2.842 20 0 DFADHM C[C@H](NC(=O)C(F)=C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314503 606833929 /nfs/dbraw/zinc/83/39/29/606833929.db2.gz JXITXNYLKVZLJY-JTQLQIEISA-N -1 3 315.352 2.842 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820981051 606834441 /nfs/dbraw/zinc/83/44/41/606834441.db2.gz OSLBJFYTRDPBEE-YPMHNXCESA-N -1 3 314.393 2.875 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820981051 606834443 /nfs/dbraw/zinc/83/44/43/606834443.db2.gz OSLBJFYTRDPBEE-YPMHNXCESA-N -1 3 314.393 2.875 20 0 DFADHM CC(C)CC1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820061876 606838507 /nfs/dbraw/zinc/83/85/07/606838507.db2.gz GVAFDIUNYZHKQO-UHFFFAOYSA-N -1 3 300.362 2.989 20 0 DFADHM CC(C)CC1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820061876 606838509 /nfs/dbraw/zinc/83/85/09/606838509.db2.gz GVAFDIUNYZHKQO-UHFFFAOYSA-N -1 3 300.362 2.989 20 0 DFADHM CSCCCSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821969591 606849210 /nfs/dbraw/zinc/84/92/10/606849210.db2.gz BKWNAPYXUKCIER-UHFFFAOYSA-N -1 3 310.448 2.732 20 0 DFADHM CSCCCSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821969591 606849211 /nfs/dbraw/zinc/84/92/11/606849211.db2.gz BKWNAPYXUKCIER-UHFFFAOYSA-N -1 3 310.448 2.732 20 0 DFADHM Cc1noc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822527818 606851627 /nfs/dbraw/zinc/85/16/27/606851627.db2.gz FZDSOFQDMDJFNR-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM Cc1noc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822527818 606851628 /nfs/dbraw/zinc/85/16/28/606851628.db2.gz FZDSOFQDMDJFNR-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM CC1(C)CCCC[C@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820596531 606873743 /nfs/dbraw/zinc/87/37/43/606873743.db2.gz QOJAQEPBFCMWIZ-SNVBAGLBSA-N -1 3 305.407 2.627 20 0 DFADHM CC1(C)CCCC[C@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820596531 606873744 /nfs/dbraw/zinc/87/37/44/606873744.db2.gz QOJAQEPBFCMWIZ-SNVBAGLBSA-N -1 3 305.407 2.627 20 0 DFADHM CCC[C@@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000821040131 606875424 /nfs/dbraw/zinc/87/54/24/606875424.db2.gz IVEAIKKUFUYAKT-GFCCVEGCSA-N -1 3 312.421 2.767 20 0 DFADHM CCC[C@@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000821040131 606875426 /nfs/dbraw/zinc/87/54/26/606875426.db2.gz IVEAIKKUFUYAKT-GFCCVEGCSA-N -1 3 312.421 2.767 20 0 DFADHM CCc1nnc(NC[C@@H]2CC=CCC2)c(-c2nnn[n-]2)c1CC ZINC000821536595 606911893 /nfs/dbraw/zinc/91/18/93/606911893.db2.gz WROOISVBCAAKFD-LLVKDONJSA-N -1 3 313.409 2.550 20 0 DFADHM CCc1nnc(NC[C@@H]2CC=CCC2)c(-c2nn[n-]n2)c1CC ZINC000821536595 606911895 /nfs/dbraw/zinc/91/18/95/606911895.db2.gz WROOISVBCAAKFD-LLVKDONJSA-N -1 3 313.409 2.550 20 0 DFADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC1(C)CCCC1 ZINC000820550571 606915187 /nfs/dbraw/zinc/91/51/87/606915187.db2.gz WVQGNSFTLLEZIT-NSHDSACASA-N -1 3 316.361 2.510 20 0 DFADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC1(C)CCCC1 ZINC000820550571 606915189 /nfs/dbraw/zinc/91/51/89/606915189.db2.gz WVQGNSFTLLEZIT-NSHDSACASA-N -1 3 316.361 2.510 20 0 DFADHM CCCC[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821040040 606924566 /nfs/dbraw/zinc/92/45/66/606924566.db2.gz HUNMGHLZYUQNIB-VXGBXAGGSA-N -1 3 318.377 2.756 20 0 DFADHM CCCC[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821040040 606924568 /nfs/dbraw/zinc/92/45/68/606924568.db2.gz HUNMGHLZYUQNIB-VXGBXAGGSA-N -1 3 318.377 2.756 20 0 DFADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000821821567 606946989 /nfs/dbraw/zinc/94/69/89/606946989.db2.gz LEFWCSLMKVRNMC-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CC[C@]1(C)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820950535 606957577 /nfs/dbraw/zinc/95/75/77/606957577.db2.gz OZDIXOITYMGYMY-KBOKABMXSA-N -1 3 311.389 2.529 20 0 DFADHM CC[C@]1(C)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820950535 606957578 /nfs/dbraw/zinc/95/75/78/606957578.db2.gz OZDIXOITYMGYMY-KBOKABMXSA-N -1 3 311.389 2.529 20 0 DFADHM Fc1ccc(CN2CCc3ccccc3C2)cc1-c1nnn[n-]1 ZINC000822771451 606960456 /nfs/dbraw/zinc/96/04/56/606960456.db2.gz HQJHBCMTSIXUFW-UHFFFAOYSA-N -1 3 309.348 2.564 20 0 DFADHM CN(C(=O)c1ccccc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000821574689 606971780 /nfs/dbraw/zinc/97/17/80/606971780.db2.gz SDYWLBBBXRFPCQ-UHFFFAOYSA-N -1 3 313.748 2.797 20 0 DFADHM CN(C(=O)c1ccccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000821574689 606971782 /nfs/dbraw/zinc/97/17/82/606971782.db2.gz SDYWLBBBXRFPCQ-UHFFFAOYSA-N -1 3 313.748 2.797 20 0 DFADHM Cc1cccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822288990 606990285 /nfs/dbraw/zinc/99/02/85/606990285.db2.gz OMOAJKWZFVBJEY-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822288990 606990286 /nfs/dbraw/zinc/99/02/86/606990286.db2.gz OMOAJKWZFVBJEY-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccccc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822345775 606990315 /nfs/dbraw/zinc/99/03/15/606990315.db2.gz RFZLGTNTFFELCS-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccccc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822345775 606990316 /nfs/dbraw/zinc/99/03/16/606990316.db2.gz RFZLGTNTFFELCS-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CC(C)(C)CCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819907301 606999442 /nfs/dbraw/zinc/99/94/42/606999442.db2.gz MZOPXHPQCZMSKM-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CC(C)(C)CCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819907301 606999443 /nfs/dbraw/zinc/99/94/43/606999443.db2.gz MZOPXHPQCZMSKM-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM Cc1cn(CCOc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000822384951 607022226 /nfs/dbraw/zinc/02/22/26/607022226.db2.gz WCIITWYNKPGCQY-UHFFFAOYSA-N -1 3 303.753 2.709 20 0 DFADHM Cc1cn(CCOc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000822384951 607022227 /nfs/dbraw/zinc/02/22/27/607022227.db2.gz WCIITWYNKPGCQY-UHFFFAOYSA-N -1 3 303.753 2.709 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(COc2cccnc2Cl)c1 ZINC000822758767 607028332 /nfs/dbraw/zinc/02/83/32/607028332.db2.gz XZHKBQCVCIXESZ-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(COc2cccnc2Cl)c1 ZINC000822758767 607028334 /nfs/dbraw/zinc/02/83/34/607028334.db2.gz XZHKBQCVCIXESZ-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Cc1nc(C)c(COc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000822431959 607030079 /nfs/dbraw/zinc/03/00/79/607030079.db2.gz QTWPIENHDSOBKL-UHFFFAOYSA-N -1 3 301.375 2.827 20 0 DFADHM Cc1nc(C)c(COc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000822431959 607030077 /nfs/dbraw/zinc/03/00/77/607030077.db2.gz QTWPIENHDSOBKL-UHFFFAOYSA-N -1 3 301.375 2.827 20 0 DFADHM CCC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)CC ZINC000820833428 607034454 /nfs/dbraw/zinc/03/44/54/607034454.db2.gz XIIMXAMJXPIVMK-UHFFFAOYSA-N -1 3 301.350 2.560 20 0 DFADHM CCC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)CC ZINC000820833428 607034457 /nfs/dbraw/zinc/03/44/57/607034457.db2.gz XIIMXAMJXPIVMK-UHFFFAOYSA-N -1 3 301.350 2.560 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820684164 607036426 /nfs/dbraw/zinc/03/64/26/607036426.db2.gz MRCOVJBGYRBHJU-NXEZZACHSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820684164 607036427 /nfs/dbraw/zinc/03/64/27/607036427.db2.gz MRCOVJBGYRBHJU-NXEZZACHSA-N -1 3 303.341 2.771 20 0 DFADHM CCOC(=O)[C@@H](CC)SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821321473 607039432 /nfs/dbraw/zinc/03/94/32/607039432.db2.gz XWWOJJQEYNHELE-GFCCVEGCSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)[C@@H](CC)SCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821321473 607039433 /nfs/dbraw/zinc/03/94/33/607039433.db2.gz XWWOJJQEYNHELE-GFCCVEGCSA-N -1 3 324.381 2.581 20 0 DFADHM C[C@@H](C[C@@H](O)c1ccco1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000820231116 607045513 /nfs/dbraw/zinc/04/55/13/607045513.db2.gz AQJUPBFMKXOTBZ-JOYOIKCWSA-N -1 3 317.324 2.523 20 0 DFADHM C[C@@H](C[C@@H](O)c1ccco1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000820231116 607045515 /nfs/dbraw/zinc/04/55/15/607045515.db2.gz AQJUPBFMKXOTBZ-JOYOIKCWSA-N -1 3 317.324 2.523 20 0 DFADHM CCCC1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)CCC1 ZINC000821027262 607052931 /nfs/dbraw/zinc/05/29/31/607052931.db2.gz NHWSHRHKTAEZRO-UHFFFAOYSA-N -1 3 316.361 2.751 20 0 DFADHM CCCC1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)CCC1 ZINC000821027262 607052934 /nfs/dbraw/zinc/05/29/34/607052934.db2.gz NHWSHRHKTAEZRO-UHFFFAOYSA-N -1 3 316.361 2.751 20 0 DFADHM CCC[C@H](CC)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821014230 607092096 /nfs/dbraw/zinc/09/20/96/607092096.db2.gz CBPQJVQAVAECHD-AWEZNQCLSA-N -1 3 302.378 2.921 20 0 DFADHM CCC[C@H](CC)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821014230 607092098 /nfs/dbraw/zinc/09/20/98/607092098.db2.gz CBPQJVQAVAECHD-AWEZNQCLSA-N -1 3 302.378 2.921 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820683543 607092836 /nfs/dbraw/zinc/09/28/36/607092836.db2.gz CUHQUTKFLONNKU-VHSXEESVSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820683543 607092837 /nfs/dbraw/zinc/09/28/37/607092837.db2.gz CUHQUTKFLONNKU-VHSXEESVSA-N -1 3 303.341 2.771 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1C=CCC1 ZINC000821292588 607100151 /nfs/dbraw/zinc/10/01/51/607100151.db2.gz CWAVTTJZXZJYCK-NSHDSACASA-N -1 3 312.377 2.593 20 0 DFADHM Cc1cc(Cl)ncc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822202091 607102033 /nfs/dbraw/zinc/10/20/33/607102033.db2.gz KMGGCHVIVHSGPS-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1cc(Cl)ncc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822202091 607102035 /nfs/dbraw/zinc/10/20/35/607102035.db2.gz KMGGCHVIVHSGPS-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H]1CC2CCC1CC2 ZINC000822567448 607130475 /nfs/dbraw/zinc/13/04/75/607130475.db2.gz BNAGFQZYACLGFN-KWPJZBAWSA-N 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BBVFMDINIKSKMB-LLVKDONJSA-N -1 3 303.341 2.519 20 0 DFADHM Fc1ccc(N[C@@H]2CCOC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822778041 607133561 /nfs/dbraw/zinc/13/35/61/607133561.db2.gz BBVFMDINIKSKMB-LLVKDONJSA-N -1 3 303.341 2.519 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC2CCC1CC2 ZINC000823359141 607142093 /nfs/dbraw/zinc/14/20/93/607142093.db2.gz IYVLQYXOVDVSDM-QIMFLAQGSA-N -1 3 312.377 2.567 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC2CCC1CC2 ZINC000823359141 607142094 /nfs/dbraw/zinc/14/20/94/607142094.db2.gz IYVLQYXOVDVSDM-QIMFLAQGSA-N -1 3 312.377 2.567 20 0 DFADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1cccc(-n2cccn2)c1 ZINC000819710141 607147621 /nfs/dbraw/zinc/14/76/21/607147621.db2.gz XISWYXOEPJPPKO-FNORWQNLSA-N -1 3 315.340 2.618 20 0 DFADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1cccc(-n2cccn2)c1 ZINC000819710141 607147622 /nfs/dbraw/zinc/14/76/22/607147622.db2.gz XISWYXOEPJPPKO-FNORWQNLSA-N -1 3 315.340 2.618 20 0 DFADHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)oc1C ZINC000822183926 607157411 /nfs/dbraw/zinc/15/74/11/607157411.db2.gz MAVZTUAAEVPBRY-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)oc1C ZINC000822183926 607157412 /nfs/dbraw/zinc/15/74/12/607157412.db2.gz MAVZTUAAEVPBRY-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821015396 607164510 /nfs/dbraw/zinc/16/45/10/607164510.db2.gz PQVWSEXWOYJICW-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821015396 607164514 /nfs/dbraw/zinc/16/45/14/607164514.db2.gz PQVWSEXWOYJICW-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM CC(C)CN(C[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820087442 607176171 /nfs/dbraw/zinc/17/61/71/607176171.db2.gz RTZCNAFMVBQOHY-AWEZNQCLSA-N -1 3 315.421 2.756 20 0 DFADHM C[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820709510 607195573 /nfs/dbraw/zinc/19/55/73/607195573.db2.gz JVLKHNQLRTWRTA-VIFPVBQESA-N -1 3 320.784 2.784 20 0 DFADHM C[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820709510 607195574 /nfs/dbraw/zinc/19/55/74/607195574.db2.gz JVLKHNQLRTWRTA-VIFPVBQESA-N -1 3 320.784 2.784 20 0 DFADHM C[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820710015 607197315 /nfs/dbraw/zinc/19/73/15/607197315.db2.gz NFAXRHIQXWZOBS-MRVPVSSYSA-N -1 3 306.757 2.536 20 0 DFADHM C[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820710015 607197316 /nfs/dbraw/zinc/19/73/16/607197316.db2.gz NFAXRHIQXWZOBS-MRVPVSSYSA-N -1 3 306.757 2.536 20 0 DFADHM CCN(CC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821198292 607202306 /nfs/dbraw/zinc/20/23/06/607202306.db2.gz QZXGAEWLWJPZMH-UHFFFAOYSA-N -1 3 320.784 2.784 20 0 DFADHM CCN(CC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821198292 607202307 /nfs/dbraw/zinc/20/23/07/607202307.db2.gz QZXGAEWLWJPZMH-UHFFFAOYSA-N -1 3 320.784 2.784 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CC2CCC1CC2 ZINC000822929466 607225146 /nfs/dbraw/zinc/22/51/46/607225146.db2.gz UWTSAEXHZVPDNR-DUVVOINKSA-N -1 3 323.400 2.575 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CC2CCC1CC2 ZINC000822929466 607225147 /nfs/dbraw/zinc/22/51/47/607225147.db2.gz UWTSAEXHZVPDNR-DUVVOINKSA-N -1 3 323.400 2.575 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCCN(C)c2ccccc2)n1 ZINC000822214947 607226288 /nfs/dbraw/zinc/22/62/88/607226288.db2.gz FMQPLYIBHXIDDE-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCCN(C)c2ccccc2)n1 ZINC000822214947 607226289 /nfs/dbraw/zinc/22/62/89/607226289.db2.gz FMQPLYIBHXIDDE-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM CCc1cc(C)c(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000821470471 607238971 /nfs/dbraw/zinc/23/89/71/607238971.db2.gz PONXABRQQJZRQA-UHFFFAOYSA-N -1 3 315.308 2.722 20 0 DFADHM CCc1cc(C)c(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000821470471 607238972 /nfs/dbraw/zinc/23/89/72/607238972.db2.gz PONXABRQQJZRQA-UHFFFAOYSA-N -1 3 315.308 2.722 20 0 DFADHM CC(C)SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820184253 607243534 /nfs/dbraw/zinc/24/35/34/607243534.db2.gz YLVHHBHPAPLKDX-UHFFFAOYSA-N -1 3 311.798 2.600 20 0 DFADHM CC(C)SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820184253 607243535 /nfs/dbraw/zinc/24/35/35/607243535.db2.gz YLVHHBHPAPLKDX-UHFFFAOYSA-N -1 3 311.798 2.600 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@H]1C1CC1 ZINC000823313686 607244009 /nfs/dbraw/zinc/24/40/09/607244009.db2.gz HUABWFSHTSWQGY-UWVGGRQHSA-N -1 3 303.753 2.505 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@H]1C1CC1 ZINC000823313686 607244010 /nfs/dbraw/zinc/24/40/10/607244010.db2.gz HUABWFSHTSWQGY-UWVGGRQHSA-N -1 3 303.753 2.505 20 0 DFADHM CCCCS[C@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821077988 607244504 /nfs/dbraw/zinc/24/45/04/607244504.db2.gz ZYVRXMMWLYPUGJ-SECBINFHSA-N -1 3 324.381 2.833 20 0 DFADHM CCCCS[C@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821077988 607244505 /nfs/dbraw/zinc/24/45/05/607244505.db2.gz ZYVRXMMWLYPUGJ-SECBINFHSA-N -1 3 324.381 2.833 20 0 DFADHM CC[C@H](COC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC000825122156 607778132 /nfs/dbraw/zinc/77/81/32/607778132.db2.gz XKDVAAIKGRHBQC-LLVKDONJSA-N -1 3 311.345 2.545 20 0 DFADHM CCc1cccc(CC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000825722482 607790500 /nfs/dbraw/zinc/79/05/00/607790500.db2.gz HSPVNZYJMDKUCS-UHFFFAOYSA-N -1 3 321.384 2.635 20 0 DFADHM CCc1cccc(CC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000825722482 607790501 /nfs/dbraw/zinc/79/05/01/607790501.db2.gz HSPVNZYJMDKUCS-UHFFFAOYSA-N -1 3 321.384 2.635 20 0 DFADHM CC[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)OC ZINC000825159305 607844501 /nfs/dbraw/zinc/84/45/01/607844501.db2.gz NCBJESWZPMJOKV-SECBINFHSA-N -1 3 312.782 2.564 20 0 DFADHM CC[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)OC ZINC000825159305 607844502 /nfs/dbraw/zinc/84/45/02/607844502.db2.gz NCBJESWZPMJOKV-SECBINFHSA-N -1 3 312.782 2.564 20 0 DFADHM Cc1cc(C)c(C)c(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826263001 607872253 /nfs/dbraw/zinc/87/22/53/607872253.db2.gz HPOMCUYUZMGBGS-INIZCTEOSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1cc(C)c(C)c(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826263001 607872254 /nfs/dbraw/zinc/87/22/54/607872254.db2.gz HPOMCUYUZMGBGS-INIZCTEOSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1cccc(NC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826299683 607932092 /nfs/dbraw/zinc/93/20/92/607932092.db2.gz PUXWPASLCJPGLI-UHFFFAOYSA-N -1 3 320.356 2.770 20 0 DFADHM Cc1cccc(NC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826299683 607932093 /nfs/dbraw/zinc/93/20/93/607932093.db2.gz PUXWPASLCJPGLI-UHFFFAOYSA-N -1 3 320.356 2.770 20 0 DFADHM CS[C@@H](C)CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826224982 607945557 /nfs/dbraw/zinc/94/55/57/607945557.db2.gz QNXJRYWCVNKZJC-VHSXEESVSA-N -1 3 306.391 2.613 20 0 DFADHM CS[C@@H](C)CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826224982 607945558 /nfs/dbraw/zinc/94/55/58/607945558.db2.gz QNXJRYWCVNKZJC-VHSXEESVSA-N -1 3 306.391 2.613 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824899988 607947854 /nfs/dbraw/zinc/94/78/54/607947854.db2.gz RCUAIIKEFBJLRA-UTEVDWOZSA-N -1 3 309.373 2.502 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824899988 607947855 /nfs/dbraw/zinc/94/78/55/607947855.db2.gz RCUAIIKEFBJLRA-UTEVDWOZSA-N -1 3 309.373 2.502 20 0 DFADHM O=C(C=Cc1cccs1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826403669 607950291 /nfs/dbraw/zinc/95/02/91/607950291.db2.gz YVGZMRYWHDEXEE-AATRIKPKSA-N -1 3 323.381 2.531 20 0 DFADHM O=C(C=Cc1cccs1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826403669 607950292 /nfs/dbraw/zinc/95/02/92/607950292.db2.gz YVGZMRYWHDEXEE-AATRIKPKSA-N -1 3 323.381 2.531 20 0 DFADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccnn1CC ZINC000825353588 607974911 /nfs/dbraw/zinc/97/49/11/607974911.db2.gz YXWHOYLODMODRN-UHFFFAOYSA-N -1 3 322.376 2.510 20 0 DFADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccnn1CC ZINC000825353588 607974912 /nfs/dbraw/zinc/97/49/12/607974912.db2.gz YXWHOYLODMODRN-UHFFFAOYSA-N -1 3 322.376 2.510 20 0 DFADHM CN(C(=O)C1CCC(F)(F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000825812931 607978734 /nfs/dbraw/zinc/97/87/34/607978734.db2.gz XWMZTIFAEIRTPB-UHFFFAOYSA-N -1 3 321.331 2.655 20 0 DFADHM CN(C(=O)C1CCC(F)(F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000825812931 607978735 /nfs/dbraw/zinc/97/87/35/607978735.db2.gz XWMZTIFAEIRTPB-UHFFFAOYSA-N -1 3 321.331 2.655 20 0 DFADHM Brc1cc(-c2nn[n-]n2)ccc1NCc1ccco1 ZINC000823826781 607986804 /nfs/dbraw/zinc/98/68/04/607986804.db2.gz OVPJKCZFXJEOSM-UHFFFAOYSA-N -1 3 320.150 2.834 20 0 DFADHM Cc1cncc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826319583 608017489 /nfs/dbraw/zinc/01/74/89/608017489.db2.gz JIHXAVZTZHBAEN-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cncc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826319583 608017490 /nfs/dbraw/zinc/01/74/90/608017490.db2.gz JIHXAVZTZHBAEN-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cnc(Cl)s1 ZINC000826186999 608019070 /nfs/dbraw/zinc/01/90/70/608019070.db2.gz UTIDVHFVOAGITJ-UHFFFAOYSA-N -1 3 322.781 2.597 20 0 DFADHM Fc1ccc(COc2ccc3nccnc3c2)c(-c2nnn[n-]2)c1 ZINC000826374844 608025380 /nfs/dbraw/zinc/02/53/80/608025380.db2.gz NYRHUSFMMXJSRB-UHFFFAOYSA-N -1 3 322.303 2.528 20 0 DFADHM Fc1ccc(COc2ccc3nccnc3c2)c(-c2nn[n-]n2)c1 ZINC000826374844 608025381 /nfs/dbraw/zinc/02/53/81/608025381.db2.gz NYRHUSFMMXJSRB-UHFFFAOYSA-N -1 3 322.303 2.528 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CN(CC(F)(F)F)C1CC1 ZINC000826373306 608038310 /nfs/dbraw/zinc/03/83/10/608038310.db2.gz HNWKERLUSYKQTJ-UHFFFAOYSA-N -1 3 315.274 2.533 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CN(CC(F)(F)F)C1CC1 ZINC000826373306 608038311 /nfs/dbraw/zinc/03/83/11/608038311.db2.gz HNWKERLUSYKQTJ-UHFFFAOYSA-N -1 3 315.274 2.533 20 0 DFADHM Cc1cc2c(ncnc2NCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826272992 608047945 /nfs/dbraw/zinc/04/79/45/608047945.db2.gz KNVBFDJWTYLCLX-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM Cc1cc2c(ncnc2NCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826272992 608047946 /nfs/dbraw/zinc/04/79/46/608047946.db2.gz KNVBFDJWTYLCLX-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM C[C@@H](Nc1nc2ccccc2n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662752 608097080 /nfs/dbraw/zinc/09/70/80/608097080.db2.gz RGERWCSLLYGQLF-LLVKDONJSA-N -1 3 319.372 2.927 20 0 DFADHM C[C@H]1CCc2ccccc2[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000824966419 608099004 /nfs/dbraw/zinc/09/90/04/608099004.db2.gz AVDOIZRJRIZMTA-NHYWBVRUSA-N -1 3 306.373 2.997 20 0 DFADHM C[C@H]1CCc2ccccc2[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000824966419 608099005 /nfs/dbraw/zinc/09/90/05/608099005.db2.gz AVDOIZRJRIZMTA-NHYWBVRUSA-N -1 3 306.373 2.997 20 0 DFADHM Cc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c(F)c1 ZINC000826291763 608112599 /nfs/dbraw/zinc/11/25/99/608112599.db2.gz VGLGEOFSSQBNTB-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c(F)c1 ZINC000826291763 608112600 /nfs/dbraw/zinc/11/26/00/608112600.db2.gz VGLGEOFSSQBNTB-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1ccoc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826315707 608136742 /nfs/dbraw/zinc/13/67/42/608136742.db2.gz QTUMNSXCKSHZIO-JTQLQIEISA-N -1 3 301.325 2.758 20 0 DFADHM Cc1ccoc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826315707 608136743 /nfs/dbraw/zinc/13/67/43/608136743.db2.gz QTUMNSXCKSHZIO-JTQLQIEISA-N -1 3 301.325 2.758 20 0 DFADHM C[C@H](OC(=O)[C@@H]1CCC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000824712726 608141718 /nfs/dbraw/zinc/14/17/18/608141718.db2.gz CANACKXAQDILLA-UHIISALHSA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H](OC(=O)[C@@H]1CCC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000824712726 608141719 /nfs/dbraw/zinc/14/17/19/608141719.db2.gz CANACKXAQDILLA-UHIISALHSA-N -1 3 300.362 2.907 20 0 DFADHM Cc1cc(Cl)ncc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826267466 608153937 /nfs/dbraw/zinc/15/39/37/608153937.db2.gz HJIVHDITANYTQL-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1cc(Cl)ncc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826267466 608153940 /nfs/dbraw/zinc/15/39/40/608153940.db2.gz HJIVHDITANYTQL-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(F)c(C)c1 ZINC000826184891 608154177 /nfs/dbraw/zinc/15/41/77/608154177.db2.gz PINGTLHUSWUCKZ-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(F)c(C)c1 ZINC000826184891 608154178 /nfs/dbraw/zinc/15/41/78/608154178.db2.gz PINGTLHUSWUCKZ-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCC(F)(F)F ZINC000826278307 608157603 /nfs/dbraw/zinc/15/76/03/608157603.db2.gz WZBDUTNCOQUDJD-UHFFFAOYSA-N -1 3 313.283 2.846 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCC(F)(F)F ZINC000826278307 608157605 /nfs/dbraw/zinc/15/76/05/608157605.db2.gz WZBDUTNCOQUDJD-UHFFFAOYSA-N -1 3 313.283 2.846 20 0 DFADHM Cc1ccc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826295616 608168910 /nfs/dbraw/zinc/16/89/10/608168910.db2.gz PRMKSRZJWRRUOT-UHFFFAOYSA-N -1 3 304.313 2.911 20 0 DFADHM Cc1ccc2ncnc(Oc3ccccc3-c3nnn[n-]3)c2c1 ZINC000826295473 608171070 /nfs/dbraw/zinc/17/10/70/608171070.db2.gz ISFCAAJUKHXGHO-UHFFFAOYSA-N -1 3 304.313 2.911 20 0 DFADHM Cc1ccc2ncnc(Oc3ccccc3-c3nn[n-]n3)c2c1 ZINC000826295473 608171071 /nfs/dbraw/zinc/17/10/71/608171071.db2.gz ISFCAAJUKHXGHO-UHFFFAOYSA-N -1 3 304.313 2.911 20 0 DFADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000826467343 608176529 /nfs/dbraw/zinc/17/65/29/608176529.db2.gz RVGIMPMCSDYVPR-UHFFFAOYSA-N -1 3 320.761 2.939 20 0 DFADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000826467343 608176531 /nfs/dbraw/zinc/17/65/31/608176531.db2.gz RVGIMPMCSDYVPR-UHFFFAOYSA-N -1 3 320.761 2.939 20 0 DFADHM O=C(CCCC(F)(F)F)OCc1cccc(-c2nnn[n-]2)c1 ZINC000826406253 608179972 /nfs/dbraw/zinc/17/99/72/608179972.db2.gz OLVVIEZYJKHHMX-UHFFFAOYSA-N -1 3 314.267 2.643 20 0 DFADHM O=C(CCCC(F)(F)F)OCc1cccc(-c2nn[n-]n2)c1 ZINC000826406253 608179973 /nfs/dbraw/zinc/17/99/73/608179973.db2.gz OLVVIEZYJKHHMX-UHFFFAOYSA-N -1 3 314.267 2.643 20 0 DFADHM Cc1cccc(C2=CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000826297912 608194353 /nfs/dbraw/zinc/19/43/53/608194353.db2.gz WOXIRKGPSZNKTR-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM Cc1cccc(C2=CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000826297912 608194354 /nfs/dbraw/zinc/19/43/54/608194354.db2.gz WOXIRKGPSZNKTR-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM c1cncc(CC2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826525347 608194864 /nfs/dbraw/zinc/19/48/64/608194864.db2.gz GLCDGQSGDRYUBH-UHFFFAOYSA-N -1 3 320.400 2.721 20 0 DFADHM C[C@@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824882362 608194973 /nfs/dbraw/zinc/19/49/73/608194973.db2.gz ANXLAVHCIYPLNV-NEPJUHHUSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824882362 608194974 /nfs/dbraw/zinc/19/49/74/608194974.db2.gz ANXLAVHCIYPLNV-NEPJUHHUSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H]1C[C@@H](CNc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824882574 608195595 /nfs/dbraw/zinc/19/55/95/608195595.db2.gz BWJBTFOCIBWPIQ-RYUDHWBXSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H]1C[C@@H](CNc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824882574 608195596 /nfs/dbraw/zinc/19/55/96/608195596.db2.gz BWJBTFOCIBWPIQ-RYUDHWBXSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H]1C[C@H](CNc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824886120 608195981 /nfs/dbraw/zinc/19/59/81/608195981.db2.gz VXJIVRJEIRBZOS-NXEZZACHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H]1C[C@H](CNc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824886120 608195983 /nfs/dbraw/zinc/19/59/83/608195983.db2.gz VXJIVRJEIRBZOS-NXEZZACHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H]1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC12CCC2 ZINC000824953938 608199843 /nfs/dbraw/zinc/19/98/43/608199843.db2.gz IBEYKKKVAVNLAC-SNVBAGLBSA-N -1 3 317.418 2.581 20 0 DFADHM C[C@@H]1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC12CCC2 ZINC000824953938 608199846 /nfs/dbraw/zinc/19/98/46/608199846.db2.gz IBEYKKKVAVNLAC-SNVBAGLBSA-N -1 3 317.418 2.581 20 0 DFADHM CCc1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)no1 ZINC000825745840 608207004 /nfs/dbraw/zinc/20/70/04/608207004.db2.gz QGORPCWMXYGTSK-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM CCc1nc(CSc2cccc(Cl)c2-c2nn[n-]n2)no1 ZINC000825745840 608207005 /nfs/dbraw/zinc/20/70/05/608207005.db2.gz QGORPCWMXYGTSK-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM c1csc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)n1 ZINC000826526224 608226231 /nfs/dbraw/zinc/22/62/31/608226231.db2.gz PRUUVNCQSPSZEV-UHFFFAOYSA-N -1 3 323.385 2.526 20 0 DFADHM c1csc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)n1 ZINC000826526224 608226230 /nfs/dbraw/zinc/22/62/30/608226230.db2.gz PRUUVNCQSPSZEV-UHFFFAOYSA-N -1 3 323.385 2.526 20 0 DFADHM FC(F)(F)CCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826367833 608230864 /nfs/dbraw/zinc/23/08/64/608230864.db2.gz QFTJNNWWNAZTPJ-UHFFFAOYSA-N -1 3 308.267 2.779 20 0 DFADHM FC(F)(F)CCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826367833 608230866 /nfs/dbraw/zinc/23/08/66/608230866.db2.gz QFTJNNWWNAZTPJ-UHFFFAOYSA-N -1 3 308.267 2.779 20 0 DFADHM c1cc2nc(NC[C@@H]3CCCS3)ccc2cc1-c1nnn[n-]1 ZINC000826518352 608232910 /nfs/dbraw/zinc/23/29/10/608232910.db2.gz KJVOLJXETLDTDL-LBPRGKRZSA-N -1 3 312.402 2.722 20 0 DFADHM c1cc2nc(NC[C@@H]3CCCS3)ccc2cc1-c1nn[n-]n1 ZINC000826518352 608232912 /nfs/dbraw/zinc/23/29/12/608232912.db2.gz KJVOLJXETLDTDL-LBPRGKRZSA-N -1 3 312.402 2.722 20 0 DFADHM Fc1cccc(Br)c1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826376411 608232956 /nfs/dbraw/zinc/23/29/56/608232956.db2.gz CRBDWWFZASDAJV-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM Fc1cccc(Br)c1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826376411 608232958 /nfs/dbraw/zinc/23/29/58/608232958.db2.gz CRBDWWFZASDAJV-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM C[C@H]1CC(Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@H](C)O1 ZINC000824894038 608236145 /nfs/dbraw/zinc/23/61/45/608236145.db2.gz WUPMUJWXXXIGQV-QWRGUYRKSA-N -1 3 324.388 2.783 20 0 DFADHM C[C@H]1CC(Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@H](C)O1 ZINC000824894038 608236146 /nfs/dbraw/zinc/23/61/46/608236146.db2.gz WUPMUJWXXXIGQV-QWRGUYRKSA-N -1 3 324.388 2.783 20 0 DFADHM OC[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000826508693 608240630 /nfs/dbraw/zinc/24/06/30/608240630.db2.gz ZIJKUOMKBUMGCO-AWEZNQCLSA-N -1 3 315.764 2.666 20 0 DFADHM CC(C)[C@@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824217208 608242647 /nfs/dbraw/zinc/24/26/47/608242647.db2.gz ZERVYWBNWOFVPF-MFKMUULPSA-N -1 3 305.357 2.621 20 0 DFADHM CC(C)[C@@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824217208 608242648 /nfs/dbraw/zinc/24/26/48/608242648.db2.gz ZERVYWBNWOFVPF-MFKMUULPSA-N -1 3 305.357 2.621 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825194735 608245680 /nfs/dbraw/zinc/24/56/80/608245680.db2.gz SLBCHROTDNBWAK-RHDOYOBMSA-N -1 3 311.389 2.669 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825194735 608245681 /nfs/dbraw/zinc/24/56/81/608245681.db2.gz SLBCHROTDNBWAK-RHDOYOBMSA-N -1 3 311.389 2.669 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825192744 608262056 /nfs/dbraw/zinc/26/20/56/608262056.db2.gz HVTIUCNRTXQRDK-ONGXEEELSA-N -1 3 318.356 2.801 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825192744 608262058 /nfs/dbraw/zinc/26/20/58/608262058.db2.gz HVTIUCNRTXQRDK-ONGXEEELSA-N -1 3 318.356 2.801 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](C)N(C)c2ccccc2)n1 ZINC000826275499 608274106 /nfs/dbraw/zinc/27/41/06/608274106.db2.gz BFOHJHRVSNPFNE-CYBMUJFWSA-N -1 3 323.404 2.507 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H](C)N(C)c2ccccc2)n1 ZINC000826275499 608274108 /nfs/dbraw/zinc/27/41/08/608274108.db2.gz BFOHJHRVSNPFNE-CYBMUJFWSA-N -1 3 323.404 2.507 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000826278003 608274773 /nfs/dbraw/zinc/27/47/73/608274773.db2.gz OHEADTOPNYRHRR-CMPLNLGQSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000826278003 608274775 /nfs/dbraw/zinc/27/47/75/608274775.db2.gz OHEADTOPNYRHRR-CMPLNLGQSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)Cc2ccsc2)n1 ZINC000826274995 608277405 /nfs/dbraw/zinc/27/74/05/608277405.db2.gz LIZJBYFXZHUFSA-JTQLQIEISA-N -1 3 300.391 2.675 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)Cc2ccsc2)n1 ZINC000826274995 608277406 /nfs/dbraw/zinc/27/74/06/608277406.db2.gz LIZJBYFXZHUFSA-JTQLQIEISA-N -1 3 300.391 2.675 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCc3ccccc32)n1 ZINC000826275574 608286526 /nfs/dbraw/zinc/28/65/26/608286526.db2.gz DIUJBQRLFAOEGV-ZDUSSCGKSA-N -1 3 306.373 2.712 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCc3ccccc32)n1 ZINC000826275574 608286527 /nfs/dbraw/zinc/28/65/27/608286527.db2.gz DIUJBQRLFAOEGV-ZDUSSCGKSA-N -1 3 306.373 2.712 20 0 DFADHM CS[C@H]1CCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC000826227489 608287815 /nfs/dbraw/zinc/28/78/15/608287815.db2.gz RPJLGYQIPVXYNE-MNOVXSKESA-N -1 3 304.423 2.656 20 0 DFADHM CS[C@H]1CCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC000826227489 608287816 /nfs/dbraw/zinc/28/78/16/608287816.db2.gz RPJLGYQIPVXYNE-MNOVXSKESA-N -1 3 304.423 2.656 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCc3ccccc3C2)n1 ZINC000826275636 608288349 /nfs/dbraw/zinc/28/83/49/608288349.db2.gz FVYZNKDYLOEVGK-CYBMUJFWSA-N -1 3 320.400 2.787 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCc3ccccc3C2)n1 ZINC000826275636 608288350 /nfs/dbraw/zinc/28/83/50/608288350.db2.gz FVYZNKDYLOEVGK-CYBMUJFWSA-N -1 3 320.400 2.787 20 0 DFADHM CSC(C)(C)CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826225119 608292205 /nfs/dbraw/zinc/29/22/05/608292205.db2.gz TXMYVQGPCCEWIJ-UHFFFAOYSA-N -1 3 318.450 2.694 20 0 DFADHM CSC(C)(C)CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826225119 608292207 /nfs/dbraw/zinc/29/22/07/608292207.db2.gz TXMYVQGPCCEWIJ-UHFFFAOYSA-N -1 3 318.450 2.694 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(CC(C)C)CC2)n1 ZINC000826274007 608296683 /nfs/dbraw/zinc/29/66/83/608296683.db2.gz DDBMLEBDZACKAU-UHFFFAOYSA-N -1 3 300.410 2.833 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(CC(C)C)CC2)n1 ZINC000826274007 608296684 /nfs/dbraw/zinc/29/66/84/608296684.db2.gz DDBMLEBDZACKAU-UHFFFAOYSA-N -1 3 300.410 2.833 20 0 DFADHM COCC1(C)CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826152562 608297528 /nfs/dbraw/zinc/29/75/28/608297528.db2.gz FIAKWUKCOHAWAG-UHFFFAOYSA-N -1 3 321.812 2.773 20 0 DFADHM COCC1(C)CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826152562 608297530 /nfs/dbraw/zinc/29/75/30/608297530.db2.gz FIAKWUKCOHAWAG-UHFFFAOYSA-N -1 3 321.812 2.773 20 0 DFADHM CCC1(CC)[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1OC ZINC000825171501 608297577 /nfs/dbraw/zinc/29/75/77/608297577.db2.gz QXIYGAPYTFJAGO-STQMWFEESA-N -1 3 316.409 2.576 20 0 DFADHM CCC1(CC)[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1OC ZINC000825171501 608297579 /nfs/dbraw/zinc/29/75/79/608297579.db2.gz QXIYGAPYTFJAGO-STQMWFEESA-N -1 3 316.409 2.576 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCO[C@H](C(C)(C)C)C2)n1 ZINC000826275915 608302041 /nfs/dbraw/zinc/30/20/41/608302041.db2.gz OKKRCSYNXGHNLS-AAEUAGOBSA-N -1 3 316.409 2.576 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCO[C@H](C(C)(C)C)C2)n1 ZINC000826275915 608302043 /nfs/dbraw/zinc/30/20/43/608302043.db2.gz OKKRCSYNXGHNLS-AAEUAGOBSA-N -1 3 316.409 2.576 20 0 DFADHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@H]1C ZINC000824962082 608303236 /nfs/dbraw/zinc/30/32/36/608303236.db2.gz NWKBUAIGNYBWRN-VXGBXAGGSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@H]1C ZINC000824962082 608303238 /nfs/dbraw/zinc/30/32/38/608303238.db2.gz NWKBUAIGNYBWRN-VXGBXAGGSA-N -1 3 308.389 2.897 20 0 DFADHM CCc1cccnc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825727847 608309481 /nfs/dbraw/zinc/30/94/81/608309481.db2.gz AMLFFVCFUNYNSS-NSHDSACASA-N -1 3 323.356 2.742 20 0 DFADHM CCc1cccnc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825727847 608309482 /nfs/dbraw/zinc/30/94/82/608309482.db2.gz AMLFFVCFUNYNSS-NSHDSACASA-N -1 3 323.356 2.742 20 0 DFADHM COCC[C@H](C)SCc1ccc(-c2nnn[n-]2)cc1OC ZINC000826154026 608321885 /nfs/dbraw/zinc/32/18/85/608321885.db2.gz GKPPXCCCLACDOL-JTQLQIEISA-N -1 3 308.407 2.534 20 0 DFADHM COCC[C@H](C)SCc1ccc(-c2nn[n-]n2)cc1OC ZINC000826154026 608321887 /nfs/dbraw/zinc/32/18/87/608321887.db2.gz GKPPXCCCLACDOL-JTQLQIEISA-N -1 3 308.407 2.534 20 0 DFADHM CCN(C(=O)/C=C\C1CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367165 608343542 /nfs/dbraw/zinc/34/35/42/608343542.db2.gz KFENJJORRKUMRL-YVMONPNESA-N -1 3 317.780 2.839 20 0 DFADHM CCN(C(=O)/C=C\C1CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367165 608343544 /nfs/dbraw/zinc/34/35/44/608343544.db2.gz KFENJJORRKUMRL-YVMONPNESA-N -1 3 317.780 2.839 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCCc2ccccc21 ZINC000826168980 608355140 /nfs/dbraw/zinc/35/51/40/608355140.db2.gz DTASHZABJAKOHR-UHFFFAOYSA-N -1 3 321.384 2.828 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCCc2ccccc21 ZINC000826168980 608355141 /nfs/dbraw/zinc/35/51/41/608355141.db2.gz DTASHZABJAKOHR-UHFFFAOYSA-N -1 3 321.384 2.828 20 0 DFADHM Oc1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826511397 608372370 /nfs/dbraw/zinc/37/23/70/608372370.db2.gz NZGTZKDDYHAFOV-UHFFFAOYSA-N -1 3 301.737 2.838 20 0 DFADHM Oc1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826511397 608372372 /nfs/dbraw/zinc/37/23/72/608372372.db2.gz NZGTZKDDYHAFOV-UHFFFAOYSA-N -1 3 301.737 2.838 20 0 DFADHM OC1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCCCC1 ZINC000826506395 608376080 /nfs/dbraw/zinc/37/60/80/608376080.db2.gz UBWKCGAEWVLYMC-UHFFFAOYSA-N -1 3 307.785 2.627 20 0 DFADHM OC1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCCCC1 ZINC000826506395 608376082 /nfs/dbraw/zinc/37/60/82/608376082.db2.gz UBWKCGAEWVLYMC-UHFFFAOYSA-N -1 3 307.785 2.627 20 0 DFADHM CCCCCSC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825276463 608391710 /nfs/dbraw/zinc/39/17/10/608391710.db2.gz XZCKHENYHFNRMV-CYBMUJFWSA-N -1 3 322.434 2.530 20 0 DFADHM Fc1c(COc2cccnc2Cl)cccc1-c1nnn[n-]1 ZINC000826370977 608397319 /nfs/dbraw/zinc/39/73/19/608397319.db2.gz NVGWTSJMNXKPOI-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1c(COc2cccnc2Cl)cccc1-c1nn[n-]n1 ZINC000826370977 608397320 /nfs/dbraw/zinc/39/73/20/608397320.db2.gz NVGWTSJMNXKPOI-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826146150 608414870 /nfs/dbraw/zinc/41/48/70/608414870.db2.gz QXXPXCJYQHGQGD-NOZJJQNGSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826146150 608414872 /nfs/dbraw/zinc/41/48/72/608414872.db2.gz QXXPXCJYQHGQGD-NOZJJQNGSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000826146140 608417168 /nfs/dbraw/zinc/41/71/68/608417168.db2.gz QUTPSLOTMYLAOD-DOMZBBRYSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000826146140 608417169 /nfs/dbraw/zinc/41/71/69/608417169.db2.gz QUTPSLOTMYLAOD-DOMZBBRYSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H](NCc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633260 608465730 /nfs/dbraw/zinc/46/57/30/608465730.db2.gz JICQJZKXQBJPFC-LLVKDONJSA-N -1 3 320.356 2.859 20 0 DFADHM C[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)c1cccc(O)c1 ZINC000824618874 608476058 /nfs/dbraw/zinc/47/60/58/608476058.db2.gz RIEFSBVYQDKGES-SNVBAGLBSA-N -1 3 313.336 2.562 20 0 DFADHM CCCc1csc(NC(=O)c2cc(-c3nnn[n-]3)cs2)n1 ZINC000825351443 608489894 /nfs/dbraw/zinc/48/98/94/608489894.db2.gz DZNWNELNILFYBP-UHFFFAOYSA-N -1 3 320.403 2.590 20 0 DFADHM CCCc1csc(NC(=O)c2cc(-c3nn[n-]n3)cs2)n1 ZINC000825351443 608489895 /nfs/dbraw/zinc/48/98/95/608489895.db2.gz DZNWNELNILFYBP-UHFFFAOYSA-N -1 3 320.403 2.590 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1cccc(Cl)c1 ZINC000825976724 608500783 /nfs/dbraw/zinc/50/07/83/608500783.db2.gz OLPFRODWUSOIJD-UHFFFAOYSA-N -1 3 303.753 2.745 20 0 DFADHM CC(C)(CNc1cccc(F)c1-c1nnn[n-]1)c1ccncc1 ZINC000824162415 608552947 /nfs/dbraw/zinc/55/29/47/608552947.db2.gz GVYCSCRTNMRMFQ-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CC(C)(CNc1cccc(F)c1-c1nn[n-]n1)c1ccncc1 ZINC000824162415 608552948 /nfs/dbraw/zinc/55/29/48/608552948.db2.gz GVYCSCRTNMRMFQ-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCc3cc(F)ccc3C2)n1 ZINC000826262569 608559805 /nfs/dbraw/zinc/55/98/05/608559805.db2.gz SCBRZRJNJURVEI-UHFFFAOYSA-N -1 3 324.363 2.580 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCc3cc(F)ccc3C2)n1 ZINC000826262569 608559807 /nfs/dbraw/zinc/55/98/07/608559807.db2.gz SCBRZRJNJURVEI-UHFFFAOYSA-N -1 3 324.363 2.580 20 0 DFADHM CCCCN(CC)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825281910 608573771 /nfs/dbraw/zinc/57/37/71/608573771.db2.gz NHVWFDXBKBARBD-UHFFFAOYSA-N -1 3 307.785 2.782 20 0 DFADHM CCCCN(CC)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825281910 608573773 /nfs/dbraw/zinc/57/37/73/608573773.db2.gz NHVWFDXBKBARBD-UHFFFAOYSA-N -1 3 307.785 2.782 20 0 DFADHM O=C(NCc1cccs1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826443381 608574284 /nfs/dbraw/zinc/57/42/84/608574284.db2.gz MNWLKBMTJWFCLG-UHFFFAOYSA-N -1 3 319.777 2.512 20 0 DFADHM O=C(NCc1cccs1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826443381 608574286 /nfs/dbraw/zinc/57/42/86/608574286.db2.gz MNWLKBMTJWFCLG-UHFFFAOYSA-N -1 3 319.777 2.512 20 0 DFADHM CCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000825379502 608575004 /nfs/dbraw/zinc/57/50/04/608575004.db2.gz GHBYBOCGRVQVJX-UHFFFAOYSA-N -1 3 319.796 2.925 20 0 DFADHM CCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000825379502 608575006 /nfs/dbraw/zinc/57/50/06/608575006.db2.gz GHBYBOCGRVQVJX-UHFFFAOYSA-N -1 3 319.796 2.925 20 0 DFADHM CCOC(=O)[C@H](Sc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825492939 608582712 /nfs/dbraw/zinc/58/27/12/608582712.db2.gz IHEAOHGAFYOZPA-GFCCVEGCSA-N -1 3 306.391 2.547 20 0 DFADHM CCOC(=O)[C@H](Sc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825492939 608582714 /nfs/dbraw/zinc/58/27/14/608582714.db2.gz IHEAOHGAFYOZPA-GFCCVEGCSA-N -1 3 306.391 2.547 20 0 DFADHM CC(C)(O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000824171552 608614162 /nfs/dbraw/zinc/61/41/62/608614162.db2.gz BWINLZYXRJUNDU-UHFFFAOYSA-N -1 3 310.357 2.673 20 0 DFADHM CC(C)(O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000824171552 608614163 /nfs/dbraw/zinc/61/41/63/608614163.db2.gz BWINLZYXRJUNDU-UHFFFAOYSA-N -1 3 310.357 2.673 20 0 DFADHM FC(F)(F)[C@H]1CCC[C@H](Nc2cnccc2-c2nnn[n-]2)C1 ZINC000826367263 608771909 /nfs/dbraw/zinc/77/19/09/608771909.db2.gz RRIWAANHTLFZPA-IUCAKERBSA-N -1 3 312.299 2.795 20 0 DFADHM FC(F)(F)[C@H]1CCC[C@H](Nc2cnccc2-c2nn[n-]n2)C1 ZINC000826367263 608771913 /nfs/dbraw/zinc/77/19/13/608771913.db2.gz RRIWAANHTLFZPA-IUCAKERBSA-N -1 3 312.299 2.795 20 0 DFADHM Cc1cc(C)c(CCNc2cnccc2-c2nnn[n-]2)c(C)c1 ZINC000826262870 608775362 /nfs/dbraw/zinc/77/53/62/608775362.db2.gz BGIUJBKPNSLMSU-UHFFFAOYSA-N -1 3 308.389 2.842 20 0 DFADHM Cc1cc(C)c(CCNc2cnccc2-c2nn[n-]n2)c(C)c1 ZINC000826262870 608775363 /nfs/dbraw/zinc/77/53/63/608775363.db2.gz BGIUJBKPNSLMSU-UHFFFAOYSA-N -1 3 308.389 2.842 20 0 DFADHM CC(C)c1ccccc1OCCNc1cnccc1-c1nnn[n-]1 ZINC000824352499 608783355 /nfs/dbraw/zinc/78/33/55/608783355.db2.gz FYVSYPVQNGVWKW-UHFFFAOYSA-N -1 3 324.388 2.876 20 0 DFADHM CC(C)c1ccccc1OCCNc1cnccc1-c1nn[n-]n1 ZINC000824352499 608783356 /nfs/dbraw/zinc/78/33/56/608783356.db2.gz FYVSYPVQNGVWKW-UHFFFAOYSA-N -1 3 324.388 2.876 20 0 DFADHM CC1(c2ccccc2)CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000824843354 608792798 /nfs/dbraw/zinc/79/27/98/608792798.db2.gz CPTXCXMBXVVGDL-UHFFFAOYSA-N -1 3 320.400 2.820 20 0 DFADHM CC1(c2ccccc2)CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000824843354 608792802 /nfs/dbraw/zinc/79/28/02/608792802.db2.gz CPTXCXMBXVVGDL-UHFFFAOYSA-N -1 3 320.400 2.820 20 0 DFADHM CON(Cc1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826166693 609145145 /nfs/dbraw/zinc/14/51/45/609145145.db2.gz WSCNWKGBBHQBBA-ZDUSSCGKSA-N -1 3 309.373 2.991 20 0 DFADHM CON(Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826166693 609145146 /nfs/dbraw/zinc/14/51/46/609145146.db2.gz WSCNWKGBBHQBBA-ZDUSSCGKSA-N -1 3 309.373 2.991 20 0 DFADHM CCC/C=C/C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825261408 609153157 /nfs/dbraw/zinc/15/31/57/609153157.db2.gz YRLYKUXIIZIYNL-SNAWJCMRSA-N -1 3 306.753 2.920 20 0 DFADHM CCC/C=C/C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825261408 609153156 /nfs/dbraw/zinc/15/31/56/609153156.db2.gz YRLYKUXIIZIYNL-SNAWJCMRSA-N -1 3 306.753 2.920 20 0 DFADHM CC(=O)Nc1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824005562 609161103 /nfs/dbraw/zinc/16/11/03/609161103.db2.gz XPZQLXIYVOOMKU-NSHDSACASA-N -1 3 322.372 2.998 20 0 DFADHM CC(=O)Nc1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824005562 609161105 /nfs/dbraw/zinc/16/11/05/609161105.db2.gz XPZQLXIYVOOMKU-NSHDSACASA-N -1 3 322.372 2.998 20 0 DFADHM CCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000825034134 609167739 /nfs/dbraw/zinc/16/77/39/609167739.db2.gz DPWOHZCHKKGCEB-UHFFFAOYSA-N -1 3 310.361 2.623 20 0 DFADHM CCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000825034134 609167741 /nfs/dbraw/zinc/16/77/41/609167741.db2.gz DPWOHZCHKKGCEB-UHFFFAOYSA-N -1 3 310.361 2.623 20 0 DFADHM COc1cccc(CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826216583 609185339 /nfs/dbraw/zinc/18/53/39/609185339.db2.gz FXUZTOVQMKODKY-UHFFFAOYSA-N -1 3 313.386 2.704 20 0 DFADHM COc1cccc(CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826216583 609185341 /nfs/dbraw/zinc/18/53/41/609185341.db2.gz FXUZTOVQMKODKY-UHFFFAOYSA-N -1 3 313.386 2.704 20 0 DFADHM CC(C)C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824236429 609191981 /nfs/dbraw/zinc/19/19/81/609191981.db2.gz NSTBSKBQRXXORM-AWEZNQCLSA-N -1 3 324.388 2.712 20 0 DFADHM CC(C)C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824236429 609191983 /nfs/dbraw/zinc/19/19/83/609191983.db2.gz NSTBSKBQRXXORM-AWEZNQCLSA-N -1 3 324.388 2.712 20 0 DFADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825159943 609203800 /nfs/dbraw/zinc/20/38/00/609203800.db2.gz VFJWFKYSHLHPSH-OAHLLOKOSA-N -1 3 324.388 2.808 20 0 DFADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825159943 609203802 /nfs/dbraw/zinc/20/38/02/609203802.db2.gz VFJWFKYSHLHPSH-OAHLLOKOSA-N -1 3 324.388 2.808 20 0 DFADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824243742 609208289 /nfs/dbraw/zinc/20/82/89/609208289.db2.gz NHKKRBSASWEPFH-AAEUAGOBSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824243742 609208290 /nfs/dbraw/zinc/20/82/90/609208290.db2.gz NHKKRBSASWEPFH-AAEUAGOBSA-N -1 3 316.409 2.530 20 0 DFADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)nc1 ZINC000826210370 609246062 /nfs/dbraw/zinc/24/60/62/609246062.db2.gz OLWLWXLRDTXHJK-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)nc1 ZINC000826210370 609246063 /nfs/dbraw/zinc/24/60/63/609246063.db2.gz OLWLWXLRDTXHJK-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM Clc1ccc(CSc2cc(-c3nnn[n-]3)ccn2)nc1 ZINC000826352239 609309467 /nfs/dbraw/zinc/30/94/67/609309467.db2.gz UFZNQPXBBACOCR-UHFFFAOYSA-N -1 3 304.766 2.602 20 0 DFADHM Clc1ccc(CSc2cc(-c3nn[n-]n3)ccn2)nc1 ZINC000826352239 609309469 /nfs/dbraw/zinc/30/94/69/609309469.db2.gz UFZNQPXBBACOCR-UHFFFAOYSA-N -1 3 304.766 2.602 20 0 DFADHM Fc1ccc(CCOc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000826374026 609327974 /nfs/dbraw/zinc/32/79/74/609327974.db2.gz ITDGUUPDRUSVKJ-UHFFFAOYSA-N -1 3 320.274 2.906 20 0 DFADHM Fc1ccc(CCOc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000826374026 609327976 /nfs/dbraw/zinc/32/79/76/609327976.db2.gz ITDGUUPDRUSVKJ-UHFFFAOYSA-N -1 3 320.274 2.906 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824797154 609392761 /nfs/dbraw/zinc/39/27/61/609392761.db2.gz WFWICNZVPITEHF-JTQLQIEISA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824797154 609392763 /nfs/dbraw/zinc/39/27/63/609392763.db2.gz WFWICNZVPITEHF-JTQLQIEISA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3sccc3-c3nnn[n-]3)C2)C1 ZINC000824918366 609396635 /nfs/dbraw/zinc/39/66/35/609396635.db2.gz PRLYASBGAHDDJB-MEBBXXQBSA-N -1 3 317.418 2.581 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3sccc3-c3nn[n-]n3)C2)C1 ZINC000824918366 609396637 /nfs/dbraw/zinc/39/66/37/609396637.db2.gz PRLYASBGAHDDJB-MEBBXXQBSA-N -1 3 317.418 2.581 20 0 DFADHM C[C@H](Nc1cccc(CCCO)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824663417 609409497 /nfs/dbraw/zinc/40/94/97/609409497.db2.gz ZEKNOYGCRANKHZ-ZDUSSCGKSA-N -1 3 323.400 2.965 20 0 DFADHM C[C@H](Nc1cccc(CCCO)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824663417 609409499 /nfs/dbraw/zinc/40/94/99/609409499.db2.gz ZEKNOYGCRANKHZ-ZDUSSCGKSA-N -1 3 323.400 2.965 20 0 DFADHM CCCCNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825290786 609447892 /nfs/dbraw/zinc/44/78/92/609447892.db2.gz IKMHOPXLQPVWQV-UHFFFAOYSA-N -1 3 317.784 2.918 20 0 DFADHM CCCCNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825290786 609447893 /nfs/dbraw/zinc/44/78/93/609447893.db2.gz IKMHOPXLQPVWQV-UHFFFAOYSA-N -1 3 317.784 2.918 20 0 DFADHM Cc1cc(CNc2cccc(-c3nnn[n-]3)c2)cnc1Cl ZINC000826267141 609472628 /nfs/dbraw/zinc/47/26/28/609472628.db2.gz UASCHYUEXKXTMI-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cc(CNc2cccc(-c3nn[n-]n3)c2)cnc1Cl ZINC000826267141 609472630 /nfs/dbraw/zinc/47/26/30/609472630.db2.gz UASCHYUEXKXTMI-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Fc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1F ZINC000826375268 609477093 /nfs/dbraw/zinc/47/70/93/609477093.db2.gz GLKRULLQZLNBST-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1F ZINC000826375268 609477096 /nfs/dbraw/zinc/47/70/96/609477096.db2.gz GLKRULLQZLNBST-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826232103 609479010 /nfs/dbraw/zinc/47/90/10/609479010.db2.gz MXGDFMZVIOCXTR-ZDUSSCGKSA-N -1 3 321.384 2.629 20 0 DFADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826232103 609479013 /nfs/dbraw/zinc/47/90/13/609479013.db2.gz MXGDFMZVIOCXTR-ZDUSSCGKSA-N -1 3 321.384 2.629 20 0 DFADHM CO[C@@H]1Cc2ccc(NCc3ccccc3-c3nnn[n-]3)cc2C1 ZINC000826147443 609480769 /nfs/dbraw/zinc/48/07/69/609480769.db2.gz XRNVMUPRJAMJQP-MRXNPFEDSA-N -1 3 321.384 2.592 20 0 DFADHM CO[C@@H]1Cc2ccc(NCc3ccccc3-c3nn[n-]n3)cc2C1 ZINC000826147443 609480771 /nfs/dbraw/zinc/48/07/71/609480771.db2.gz XRNVMUPRJAMJQP-MRXNPFEDSA-N -1 3 321.384 2.592 20 0 DFADHM Fc1c(CNc2ccc3c(c2)COC3)cccc1-c1nnn[n-]1 ZINC000826371203 609481708 /nfs/dbraw/zinc/48/17/08/609481708.db2.gz XBVBCFMSNBEABC-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM Fc1c(CNc2ccc3c(c2)COC3)cccc1-c1nn[n-]n1 ZINC000826371203 609481711 /nfs/dbraw/zinc/48/17/11/609481711.db2.gz XBVBCFMSNBEABC-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM Fc1cccc(CCSc2cc(-c3nnn[n-]3)ccn2)c1F ZINC000826376580 609488330 /nfs/dbraw/zinc/48/83/30/609488330.db2.gz JTDIHJQKODZKOZ-UHFFFAOYSA-N -1 3 319.340 2.875 20 0 DFADHM Fc1cccc(CCSc2cc(-c3nn[n-]n3)ccn2)c1F ZINC000826376580 609488332 /nfs/dbraw/zinc/48/83/32/609488332.db2.gz JTDIHJQKODZKOZ-UHFFFAOYSA-N -1 3 319.340 2.875 20 0 DFADHM CCc1nnc(CSCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825766517 609490147 /nfs/dbraw/zinc/49/01/47/609490147.db2.gz ABFLSSXDPACEJI-UHFFFAOYSA-N -1 3 318.431 2.714 20 0 DFADHM CCc1nnc(CSCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825766517 609490150 /nfs/dbraw/zinc/49/01/50/609490150.db2.gz ABFLSSXDPACEJI-UHFFFAOYSA-N -1 3 318.431 2.714 20 0 DFADHM CN(C[C@@H]1CC=CCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825908759 609495131 /nfs/dbraw/zinc/49/51/31/609495131.db2.gz LQUUYQFXBNIGRR-GFCCVEGCSA-N -1 3 312.377 2.687 20 0 DFADHM CN(C[C@@H]1CC=CCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825908759 609495133 /nfs/dbraw/zinc/49/51/33/609495133.db2.gz LQUUYQFXBNIGRR-GFCCVEGCSA-N -1 3 312.377 2.687 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccccc1 ZINC000826186137 609499700 /nfs/dbraw/zinc/49/97/00/609499700.db2.gz HBZAXAHPMDEBNA-NSHDSACASA-N -1 3 323.356 2.618 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccccc1 ZINC000826186137 609499702 /nfs/dbraw/zinc/49/97/02/609499702.db2.gz HBZAXAHPMDEBNA-NSHDSACASA-N -1 3 323.356 2.618 20 0 DFADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1=CCC1 ZINC000826459783 609507639 /nfs/dbraw/zinc/50/76/39/609507639.db2.gz ZGPVEJVDOJVVQS-UHFFFAOYSA-N -1 3 324.369 2.649 20 0 DFADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1=CCC1 ZINC000826459783 609507641 /nfs/dbraw/zinc/50/76/41/609507641.db2.gz ZGPVEJVDOJVVQS-UHFFFAOYSA-N -1 3 324.369 2.649 20 0 DFADHM CC[C@H]1CCCCN1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825192291 609516965 /nfs/dbraw/zinc/51/69/65/609516965.db2.gz GHKGKEDJVZGJCD-JTQLQIEISA-N -1 3 306.801 2.992 20 0 DFADHM CC[C@H]1CCCCN1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825192291 609516967 /nfs/dbraw/zinc/51/69/67/609516967.db2.gz GHKGKEDJVZGJCD-JTQLQIEISA-N -1 3 306.801 2.992 20 0 DFADHM Cc1ccnc(NCc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826314074 609519437 /nfs/dbraw/zinc/51/94/37/609519437.db2.gz DYXHAICLOOYDBD-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccnc(NCc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826314074 609519439 /nfs/dbraw/zinc/51/94/39/609519439.db2.gz DYXHAICLOOYDBD-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccnc(N(C)Cc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826309528 609520886 /nfs/dbraw/zinc/52/08/86/609520886.db2.gz RXPULKJZELWDAT-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Cc1ccnc(N(C)Cc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826309528 609520887 /nfs/dbraw/zinc/52/08/87/609520887.db2.gz RXPULKJZELWDAT-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825050931 609521586 /nfs/dbraw/zinc/52/15/86/609521586.db2.gz LSYHMZALRFUSKY-NEPJUHHUSA-N -1 3 301.394 2.507 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825050931 609521587 /nfs/dbraw/zinc/52/15/87/609521587.db2.gz LSYHMZALRFUSKY-NEPJUHHUSA-N -1 3 301.394 2.507 20 0 DFADHM Cc1c(Cl)cnc(N2CCC(C)(C)CC2)c1-c1nnn[n-]1 ZINC000826237059 609545993 /nfs/dbraw/zinc/54/59/93/609545993.db2.gz MKAJPIZBIHALQG-UHFFFAOYSA-N -1 3 306.801 2.850 20 0 DFADHM Cc1c(Cl)cnc(N2CCC(C)(C)CC2)c1-c1nn[n-]n1 ZINC000826237059 609545996 /nfs/dbraw/zinc/54/59/96/609545996.db2.gz MKAJPIZBIHALQG-UHFFFAOYSA-N -1 3 306.801 2.850 20 0 DFADHM Cc1ccnc(N[C@@H]2c3ccccc3C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826312711 609551964 /nfs/dbraw/zinc/55/19/64/609551964.db2.gz MOALJJISYGBYGG-NHYWBVRUSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccnc(N[C@@H]2c3ccccc3C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826312711 609551967 /nfs/dbraw/zinc/55/19/67/609551967.db2.gz MOALJJISYGBYGG-NHYWBVRUSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1c(Cl)cnc(N2CCCCC[C@H]2C)c1-c1nnn[n-]1 ZINC000826237930 609552847 /nfs/dbraw/zinc/55/28/47/609552847.db2.gz QSGIIEBKNHNTFC-SECBINFHSA-N -1 3 306.801 2.992 20 0 DFADHM Cc1c(Cl)cnc(N2CCCCC[C@H]2C)c1-c1nn[n-]n1 ZINC000826237930 609552848 /nfs/dbraw/zinc/55/28/48/609552848.db2.gz QSGIIEBKNHNTFC-SECBINFHSA-N -1 3 306.801 2.992 20 0 DFADHM COc1cccc(C[C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826216002 609553272 /nfs/dbraw/zinc/55/32/72/609553272.db2.gz GLZVHEUENZMNCX-GFCCVEGCSA-N -1 3 324.388 2.622 20 0 DFADHM COc1cccc(C[C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826216002 609553274 /nfs/dbraw/zinc/55/32/74/609553274.db2.gz GLZVHEUENZMNCX-GFCCVEGCSA-N -1 3 324.388 2.622 20 0 DFADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC000824865814 609556968 /nfs/dbraw/zinc/55/69/68/609556968.db2.gz JQKGEXSANSEBDH-ZYHUDNBSSA-N -1 3 314.393 2.663 20 0 DFADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC000824865814 609556971 /nfs/dbraw/zinc/55/69/71/609556971.db2.gz JQKGEXSANSEBDH-ZYHUDNBSSA-N -1 3 314.393 2.663 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@@H](C)[C@@H]2C)c1-c1nnn[n-]1 ZINC000826238084 609559590 /nfs/dbraw/zinc/55/95/90/609559590.db2.gz VWWUTGOERWLZAJ-SCZZXKLOSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000826238084 609559594 /nfs/dbraw/zinc/55/95/94/609559594.db2.gz VWWUTGOERWLZAJ-SCZZXKLOSA-N -1 3 306.801 2.848 20 0 DFADHM CCS[C@@H]1CC[C@H](N(C)c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000825669172 609563163 /nfs/dbraw/zinc/56/31/63/609563163.db2.gz RPOBXJPDFHIYNG-NWDGAFQWSA-N -1 3 318.450 2.681 20 0 DFADHM CCS[C@@H]1CC[C@H](N(C)c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000825669172 609563164 /nfs/dbraw/zinc/56/31/64/609563164.db2.gz RPOBXJPDFHIYNG-NWDGAFQWSA-N -1 3 318.450 2.681 20 0 DFADHM CCC[C@]1(C)CCCN(c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000825248192 609563215 /nfs/dbraw/zinc/56/32/15/609563215.db2.gz PYVDSQQVNCSYQB-MRXNPFEDSA-N -1 3 300.410 2.977 20 0 DFADHM CCC[C@]1(C)CCCN(c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000825248192 609563216 /nfs/dbraw/zinc/56/32/16/609563216.db2.gz PYVDSQQVNCSYQB-MRXNPFEDSA-N -1 3 300.410 2.977 20 0 DFADHM Cc1c(Cl)cnc(NCCCC(F)(F)F)c1-c1nnn[n-]1 ZINC000826239353 609564217 /nfs/dbraw/zinc/56/42/17/609564217.db2.gz DWKMMRUNPVXRRY-UHFFFAOYSA-N -1 3 320.706 2.978 20 0 DFADHM Cc1c(Cl)cnc(NCCCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826239353 609564219 /nfs/dbraw/zinc/56/42/19/609564219.db2.gz DWKMMRUNPVXRRY-UHFFFAOYSA-N -1 3 320.706 2.978 20 0 DFADHM Cc1nc2c(s1)[C@H](Nc1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000826328193 609565388 /nfs/dbraw/zinc/56/53/88/609565388.db2.gz IOIDGZVYSJOJSJ-LLVKDONJSA-N -1 3 313.390 2.516 20 0 DFADHM Cc1nc2c(s1)[C@H](Nc1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000826328193 609565390 /nfs/dbraw/zinc/56/53/90/609565390.db2.gz IOIDGZVYSJOJSJ-LLVKDONJSA-N -1 3 313.390 2.516 20 0 DFADHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)cn1)[C@H](C)C2 ZINC000826293784 609570790 /nfs/dbraw/zinc/57/07/90/609570790.db2.gz BDPPKCJOCUSXKN-BDJLRTHQSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)cn1)[C@H](C)C2 ZINC000826293784 609570792 /nfs/dbraw/zinc/57/07/92/609570792.db2.gz BDPPKCJOCUSXKN-BDJLRTHQSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1c(Cl)cnc(NC[C@]2(C)CCCS2)c1-c1nnn[n-]1 ZINC000826239708 609575282 /nfs/dbraw/zinc/57/52/82/609575282.db2.gz ODDDMNPSURGXDB-ZDUSSCGKSA-N -1 3 324.841 2.921 20 0 DFADHM Cc1c(Cl)cnc(NC[C@]2(C)CCCS2)c1-c1nn[n-]n1 ZINC000826239708 609575285 /nfs/dbraw/zinc/57/52/85/609575285.db2.gz ODDDMNPSURGXDB-ZDUSSCGKSA-N -1 3 324.841 2.921 20 0 DFADHM CCCN(Cc1ccccc1)c1nccc(C)c1-c1nnn[n-]1 ZINC000825323489 609577614 /nfs/dbraw/zinc/57/76/14/609577614.db2.gz WUSPAHKQXWTOFP-UHFFFAOYSA-N -1 3 308.389 2.987 20 0 DFADHM CCCN(Cc1ccccc1)c1nccc(C)c1-c1nn[n-]n1 ZINC000825323489 609577617 /nfs/dbraw/zinc/57/76/17/609577617.db2.gz WUSPAHKQXWTOFP-UHFFFAOYSA-N -1 3 308.389 2.987 20 0 DFADHM c1cc2nc(NCC[C@H]3CCCCO3)ccc2cc1-c1nnn[n-]1 ZINC000826518494 609582215 /nfs/dbraw/zinc/58/22/15/609582215.db2.gz PLOMMNKZBLEUPU-CQSZACIVSA-N -1 3 324.388 2.786 20 0 DFADHM c1cc2nc(NCC[C@H]3CCCCO3)ccc2cc1-c1nn[n-]n1 ZINC000826518494 609582218 /nfs/dbraw/zinc/58/22/18/609582218.db2.gz PLOMMNKZBLEUPU-CQSZACIVSA-N -1 3 324.388 2.786 20 0 DFADHM CSCCCCCCNc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000826228007 609588499 /nfs/dbraw/zinc/58/84/99/609588499.db2.gz BFJIGAFRRCGTGW-UHFFFAOYSA-N -1 3 321.454 2.609 20 0 DFADHM CSCCCCCCNc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000826228007 609588501 /nfs/dbraw/zinc/58/85/01/609588501.db2.gz BFJIGAFRRCGTGW-UHFFFAOYSA-N -1 3 321.454 2.609 20 0 DFADHM OCc1ccc(Sc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826510509 609589620 /nfs/dbraw/zinc/58/96/20/609589620.db2.gz VMDGHCPQARVBER-UHFFFAOYSA-N -1 3 319.777 2.559 20 0 DFADHM OCc1ccc(Sc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826510509 609589622 /nfs/dbraw/zinc/58/96/22/609589622.db2.gz VMDGHCPQARVBER-UHFFFAOYSA-N -1 3 319.777 2.559 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000825059912 609591193 /nfs/dbraw/zinc/59/11/93/609591193.db2.gz MBOYMCQELBWBSE-ZJUUUORDSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000825059912 609591196 /nfs/dbraw/zinc/59/11/96/609591196.db2.gz MBOYMCQELBWBSE-ZJUUUORDSA-N -1 3 306.341 2.731 20 0 DFADHM C[C@H]1C[C@H](CCNc2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000824885371 609596226 /nfs/dbraw/zinc/59/62/26/609596226.db2.gz SISZSJGTWFJGNM-VHSXEESVSA-N -1 3 323.347 2.762 20 0 DFADHM C[C@H]1C[C@H](CCNc2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824885371 609596229 /nfs/dbraw/zinc/59/62/29/609596229.db2.gz SISZSJGTWFJGNM-VHSXEESVSA-N -1 3 323.347 2.762 20 0 DFADHM Fc1cccc(N2CCC[C@H]2c2cccnc2)c1-c1nnn[n-]1 ZINC000826377331 609598947 /nfs/dbraw/zinc/59/89/47/609598947.db2.gz NEDQNBOCRFSLRA-ZDUSSCGKSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1cccc(N2CCC[C@H]2c2cccnc2)c1-c1nn[n-]n1 ZINC000826377331 609598950 /nfs/dbraw/zinc/59/89/50/609598950.db2.gz NEDQNBOCRFSLRA-ZDUSSCGKSA-N -1 3 310.336 2.742 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825052458 609599479 /nfs/dbraw/zinc/59/94/79/609599479.db2.gz XCJRJHNJJZQUNO-NEPJUHHUSA-N -1 3 313.405 2.654 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825052458 609599481 /nfs/dbraw/zinc/59/94/81/609599481.db2.gz XCJRJHNJJZQUNO-NEPJUHHUSA-N -1 3 313.405 2.654 20 0 DFADHM CCC(C)(C)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825038708 609618695 /nfs/dbraw/zinc/61/86/95/609618695.db2.gz GNPLKRMWBAESIA-UHFFFAOYSA-N -1 3 308.769 3.000 20 0 DFADHM CCC(C)(C)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825038708 609618696 /nfs/dbraw/zinc/61/86/96/609618696.db2.gz GNPLKRMWBAESIA-UHFFFAOYSA-N -1 3 308.769 3.000 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825051012 609638979 /nfs/dbraw/zinc/63/89/79/609638979.db2.gz MUOYTHUGMAXXOI-ZHACJKMWSA-N -1 3 316.361 2.665 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825051012 609638981 /nfs/dbraw/zinc/63/89/81/609638981.db2.gz MUOYTHUGMAXXOI-ZHACJKMWSA-N -1 3 316.361 2.665 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825059788 609642208 /nfs/dbraw/zinc/64/22/08/609642208.db2.gz KLZJTEOEIWIAQX-ZJUUUORDSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825059788 609642209 /nfs/dbraw/zinc/64/22/09/609642209.db2.gz KLZJTEOEIWIAQX-ZJUUUORDSA-N -1 3 306.341 2.731 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000412936406 295662636 /nfs/dbraw/zinc/66/26/36/295662636.db2.gz NJARONNHUOEAOE-KGLIPLIRSA-N -1 3 321.417 2.852 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1OC(C)C ZINC000278388431 214133943 /nfs/dbraw/zinc/13/39/43/214133943.db2.gz IRZQESBTRKAMDM-AWEZNQCLSA-N -1 3 313.419 2.703 20 0 DFADHM CCc1cc(=O)[n-]c(CSCCCSCCOC)n1 ZINC000278435276 214150923 /nfs/dbraw/zinc/15/09/23/214150923.db2.gz ZVPFKZUIDZCZEL-UHFFFAOYSA-N -1 3 302.465 2.748 20 0 DFADHM Cc1nc(-c2ccc(OCc3cc(=O)[n-]c(C4CC4)n3)cc2)no1 ZINC000412988073 295666220 /nfs/dbraw/zinc/66/62/20/295666220.db2.gz CFMLMENRKROZSF-UHFFFAOYSA-N -1 3 324.340 2.997 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N(C)C[C@H]3CCCOC3)c[n-]c12 ZINC000163336768 197624666 /nfs/dbraw/zinc/62/46/66/197624666.db2.gz WWCPRUOZUMPYND-CYBMUJFWSA-N -1 3 314.385 2.747 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000078868690 185120755 /nfs/dbraw/zinc/12/07/55/185120755.db2.gz NSMTWHIQTFLRQF-NWDGAFQWSA-N -1 3 312.304 2.946 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000078868690 185120756 /nfs/dbraw/zinc/12/07/56/185120756.db2.gz NSMTWHIQTFLRQF-NWDGAFQWSA-N -1 3 312.304 2.946 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000078868690 185120757 /nfs/dbraw/zinc/12/07/57/185120757.db2.gz NSMTWHIQTFLRQF-NWDGAFQWSA-N -1 3 312.304 2.946 20 0 DFADHM CC(C)(O)CO[N-]C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000278671170 214315615 /nfs/dbraw/zinc/31/56/15/214315615.db2.gz PTHVKHDUITWSQH-NWDGAFQWSA-N -1 3 317.307 2.628 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c1F ZINC000313219586 231123489 /nfs/dbraw/zinc/12/34/89/231123489.db2.gz MHAHGUREIXZRMZ-UHFFFAOYSA-N -1 3 315.316 2.891 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000278764427 214383754 /nfs/dbraw/zinc/38/37/54/214383754.db2.gz KMKQUECZMWBMLB-UHFFFAOYSA-N -1 3 315.822 2.817 20 0 DFADHM O=C(c1ccccc1[O-])N1CCC[C@H](Oc2ncccc2F)C1 ZINC000278771398 214390391 /nfs/dbraw/zinc/39/03/91/214390391.db2.gz OUXGHGACBRCMPG-LBPRGKRZSA-N -1 3 316.332 2.610 20 0 DFADHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)o1 ZINC000286574557 219061567 /nfs/dbraw/zinc/06/15/67/219061567.db2.gz QTZCNENPDHIQMT-MRVPVSSYSA-N -1 3 318.757 2.815 20 0 DFADHM CC[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(=O)OC ZINC000294780121 529474851 /nfs/dbraw/zinc/47/48/51/529474851.db2.gz ALLSUBXTOAWWLT-HNNXBMFYSA-N -1 3 315.369 2.546 20 0 DFADHM CCC[C@H](NCc1cc(OC)ccc1Br)C(=O)[O-] ZINC000087790152 185232061 /nfs/dbraw/zinc/23/20/61/185232061.db2.gz SLZQBTBPFDZJMV-LBPRGKRZSA-N -1 3 316.195 2.801 20 0 DFADHM O=C(CCc1ccco1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731318 398368012 /nfs/dbraw/zinc/36/80/12/398368012.db2.gz KWUPBRWIUPBZAZ-UHFFFAOYSA-N -1 3 318.283 2.914 20 0 DFADHM O=C(CCc1ccco1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731318 398368017 /nfs/dbraw/zinc/36/80/17/398368017.db2.gz KWUPBRWIUPBZAZ-UHFFFAOYSA-N -1 3 318.283 2.914 20 0 DFADHM O=C(CCc1ccco1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731318 398368021 /nfs/dbraw/zinc/36/80/21/398368021.db2.gz KWUPBRWIUPBZAZ-UHFFFAOYSA-N -1 3 318.283 2.914 20 0 DFADHM CCC[C@@H](NCc1cc(OC)ccc1Br)C(=O)[O-] ZINC000087790154 185232286 /nfs/dbraw/zinc/23/22/86/185232286.db2.gz SLZQBTBPFDZJMV-GFCCVEGCSA-N -1 3 316.195 2.801 20 0 DFADHM C[C@@]1(O)CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459342979 299083025 /nfs/dbraw/zinc/08/30/25/299083025.db2.gz KZHZOQGEDWUCPA-CYBMUJFWSA-N -1 3 300.196 2.502 20 0 DFADHM O=c1cc(CN2CCOC[C@@H]2c2ccccc2)nc(C2CC2)[n-]1 ZINC000459345141 299084056 /nfs/dbraw/zinc/08/40/56/299084056.db2.gz ABRWIAHDUJKEBE-MRXNPFEDSA-N -1 3 311.385 2.633 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccccn3)nc2)n1 ZINC000301236884 529563771 /nfs/dbraw/zinc/56/37/71/529563771.db2.gz MINZLOUJKFNQPV-UHFFFAOYSA-N -1 3 321.384 2.838 20 0 DFADHM CCc1cccc(C(=O)NCc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000081808887 398371081 /nfs/dbraw/zinc/37/10/81/398371081.db2.gz RQFZNOUZXZANQM-QFIPXVFZSA-N -1 3 317.410 2.622 20 0 DFADHM COCC(C)(C)NCc1ccc(OC)c([O-])c1Br ZINC000354651345 536795483 /nfs/dbraw/zinc/79/54/83/536795483.db2.gz XOVGUGYVWBCLPO-UHFFFAOYSA-N -1 3 318.211 2.678 20 0 DFADHM CCc1cccc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)c1[O-] ZINC000081944641 398376456 /nfs/dbraw/zinc/37/64/56/398376456.db2.gz IIGHNUKAVINDJY-CYBMUJFWSA-N -1 3 315.373 2.666 20 0 DFADHM CCc1cnc(C[N-]S(=O)(=O)c2cccc(C)c2F)s1 ZINC000181331282 199282882 /nfs/dbraw/zinc/28/28/82/199282882.db2.gz JWURCBAZOXDHTF-UHFFFAOYSA-N -1 3 314.407 2.632 20 0 DFADHM O=c1cc(CN2CCC[C@H]2c2ncc[nH]2)nc(-c2ccccc2)[n-]1 ZINC000459375016 299090306 /nfs/dbraw/zinc/09/03/06/299090306.db2.gz PUBRIPBUUBLHHH-HNNXBMFYSA-N -1 3 321.384 2.909 20 0 DFADHM O=S(=O)([N-]CC1CCCC1)c1cccnc1C(F)(F)F ZINC000286607085 219078716 /nfs/dbraw/zinc/07/87/16/219078716.db2.gz LPJUCYTWSAAHEN-UHFFFAOYSA-N -1 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324.340 2.542 20 0 DFADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000068466083 398505510 /nfs/dbraw/zinc/50/55/10/398505510.db2.gz QNVOYHNEUKWXJF-NWDGAFQWSA-N -1 3 306.406 2.549 20 0 DFADHM CC1(C)C[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C(C)(C)O1 ZINC000181853728 199362488 /nfs/dbraw/zinc/36/24/88/199362488.db2.gz CRXKAMDPVKAVQX-CYBMUJFWSA-N -1 3 310.369 2.677 20 0 DFADHM CCN(CCSC)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000592920663 398508372 /nfs/dbraw/zinc/50/83/72/398508372.db2.gz HBQQIAMBUWMIAJ-UHFFFAOYSA-N -1 3 304.415 2.662 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000031075798 398510658 /nfs/dbraw/zinc/51/06/58/398510658.db2.gz QDVWCSSANSWZIM-BFHYXJOUSA-N -1 3 312.435 2.929 20 0 DFADHM O=C([O-])C[C@@H]1CSCCN1Cc1ccc2ccccc2n1 ZINC000091132529 398511012 /nfs/dbraw/zinc/51/10/12/398511012.db2.gz NUSOXTWZNAOJQC-CQSZACIVSA-N -1 3 302.399 2.627 20 0 DFADHM COC(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1[O-] ZINC000592949411 398510390 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398524324 /nfs/dbraw/zinc/52/43/24/398524324.db2.gz AOEVKDBFSMONAW-UHFFFAOYSA-N -1 3 301.342 2.730 20 0 DFADHM CN(Cc1cccc([O-])c1Br)CC(C)(C)CO ZINC000459568728 299137184 /nfs/dbraw/zinc/13/71/84/299137184.db2.gz LBXNRZJGZQBTDG-UHFFFAOYSA-N -1 3 302.212 2.605 20 0 DFADHM COC(=O)c1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000315941686 398528901 /nfs/dbraw/zinc/52/89/01/398528901.db2.gz SUMGUDBCNYRVDK-UHFFFAOYSA-N -1 3 305.374 2.550 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@@H]2CCC(C)C)c(=O)[n-]1 ZINC000068834713 398532317 /nfs/dbraw/zinc/53/23/17/398532317.db2.gz YMTVPMZEUUXDKL-ZBFHGGJFSA-N -1 3 319.449 2.650 20 0 DFADHM COc1cc(C(=O)NC[C@H](C)c2c(C)noc2C)ccc1[O-] ZINC000272643319 210046827 /nfs/dbraw/zinc/04/68/27/210046827.db2.gz OFXQUJNJTFMURM-VIFPVBQESA-N -1 3 304.346 2.539 20 0 DFADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(-c2ccco2)on1 ZINC000317854223 398536460 /nfs/dbraw/zinc/53/64/60/398536460.db2.gz AMASWCLYPRCIJP-NVBFEUDRSA-N -1 3 302.330 2.620 20 0 DFADHM CSc1ccccc1[C@H](C)[N-]S(=O)(=O)c1cscn1 ZINC000567774147 302388309 /nfs/dbraw/zinc/38/83/09/302388309.db2.gz AOILMZAPOSBYQN-VIFPVBQESA-N -1 3 314.457 2.905 20 0 DFADHM CCC(CC)(CC)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000075492959 282553270 /nfs/dbraw/zinc/55/32/70/282553270.db2.gz FCUWLHDNFKMSSA-UHFFFAOYSA-N -1 3 303.362 2.661 20 0 DFADHM Cc1ccc2nc(CN3CC[C@](C(=O)[O-])(C(C)C)C3)cn2c1 ZINC000318626655 398539683 /nfs/dbraw/zinc/53/96/83/398539683.db2.gz BGANQPWAIONKSY-QGZVFWFLSA-N -1 3 301.390 2.575 20 0 DFADHM CC1CCC(O)(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000320744408 398548896 /nfs/dbraw/zinc/54/88/96/398548896.db2.gz NVZRZMZXCMUPRM-UHFFFAOYSA-N -1 3 314.385 2.611 20 0 DFADHM COc1cccc([C@@H](CNc2ncccc2C(=O)[O-])N(C)C)c1 ZINC000320689678 398548613 /nfs/dbraw/zinc/54/86/13/398548613.db2.gz QDSMKQJFQXMEQU-OAHLLOKOSA-N -1 3 315.373 2.503 20 0 DFADHM CCOC(=O)c1ccc(CNC(=O)c2cc([O-])ccc2Cl)o1 ZINC000589445280 398552591 /nfs/dbraw/zinc/55/25/91/398552591.db2.gz SWEAMPQRQBAOGD-UHFFFAOYSA-N -1 3 323.732 2.745 20 0 DFADHM CSCc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000036714151 398553244 /nfs/dbraw/zinc/55/32/44/398553244.db2.gz ZYRNNCXNANHFFM-UHFFFAOYSA-N -1 3 316.308 2.939 20 0 DFADHM CSCc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000036714151 398553248 /nfs/dbraw/zinc/55/32/48/398553248.db2.gz ZYRNNCXNANHFFM-UHFFFAOYSA-N -1 3 316.308 2.939 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2C2CC2)c1 ZINC000292004607 222773590 /nfs/dbraw/zinc/77/35/90/222773590.db2.gz XWRPTSHGCIOMHV-OAHLLOKOSA-N -1 3 302.374 2.611 20 0 DFADHM Cc1csc([C@@H]2CCCN(C(=O)c3c([O-])cccc3O)C2)n1 ZINC000092123382 398559609 /nfs/dbraw/zinc/55/96/09/398559609.db2.gz ZQAXXNNHFIXDMA-LLVKDONJSA-N -1 3 318.398 2.883 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCc2c(F)ccc(F)c2C1 ZINC000092124281 398560058 /nfs/dbraw/zinc/56/00/58/398560058.db2.gz OSGCIVOWDLTFGH-UHFFFAOYSA-N -1 3 305.280 2.575 20 0 DFADHM Cn1ccnc1-c1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000092118867 398560122 /nfs/dbraw/zinc/56/01/22/398560122.db2.gz YTRNAOVVXBHVEV-UHFFFAOYSA-N -1 3 309.325 2.751 20 0 DFADHM COc1cccc(C(C)(C)CNC(=O)c2c([O-])cccc2O)c1 ZINC000092125871 398560135 /nfs/dbraw/zinc/56/01/35/398560135.db2.gz UHABTVIOOJWTEQ-UHFFFAOYSA-N -1 3 315.369 2.814 20 0 DFADHM COc1ccc(C[C@@H](C)CNC(=O)c2c([O-])cccc2O)cc1 ZINC000092126457 398560159 /nfs/dbraw/zinc/56/01/59/398560159.db2.gz FBYYCDYFKMZXKU-GFCCVEGCSA-N -1 3 315.369 2.715 20 0 DFADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000092280691 398565777 /nfs/dbraw/zinc/56/57/77/398565777.db2.gz SXBYCSHCXPTSFL-CBAPKCEASA-N -1 3 300.152 2.518 20 0 DFADHM CCCC(C)(C)[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000189678025 282601319 /nfs/dbraw/zinc/60/13/19/282601319.db2.gz DMQHFUNVQOOYIK-UHFFFAOYSA-N -1 3 319.448 2.700 20 0 DFADHM COc1cccc(C(=O)Nc2cc(NC(C)=O)ccc2C)c1[O-] ZINC000079046458 282601846 /nfs/dbraw/zinc/60/18/46/282601846.db2.gz NSFIJNYNLVRIPG-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(F)c1 ZINC000069447125 398570465 /nfs/dbraw/zinc/57/04/65/398570465.db2.gz IIUFNWKNJJUSNG-UHFFFAOYSA-N -1 3 307.346 2.870 20 0 DFADHM CSc1nnc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)[n-]1 ZINC000589694652 398571465 /nfs/dbraw/zinc/57/14/65/398571465.db2.gz RVCJIWZKMUIUDW-PSASIEDQSA-N -1 3 306.391 2.814 20 0 DFADHM CSc1n[n-]c(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000589694652 398571470 /nfs/dbraw/zinc/57/14/70/398571470.db2.gz RVCJIWZKMUIUDW-PSASIEDQSA-N -1 3 306.391 2.814 20 0 DFADHM CSc1nc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)n[n-]1 ZINC000589694652 398571475 /nfs/dbraw/zinc/57/14/75/398571475.db2.gz RVCJIWZKMUIUDW-PSASIEDQSA-N -1 3 306.391 2.814 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCc2c(C)cc(C)nc2OC)c1 ZINC000589701960 398571505 /nfs/dbraw/zinc/57/15/05/398571505.db2.gz UTBIHDMWPDCLQC-UHFFFAOYSA-N -1 3 314.385 2.905 20 0 DFADHM Cc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c([O-])c1 ZINC000331339578 233118355 /nfs/dbraw/zinc/11/83/55/233118355.db2.gz MKTWPZXGNYPSOK-UHFFFAOYSA-N -1 3 301.390 2.993 20 0 DFADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(-c2ccc[nH]2)cc1 ZINC000414387691 295795988 /nfs/dbraw/zinc/79/59/88/295795988.db2.gz ZBBAMGVTOYYGGM-UHFFFAOYSA-N -1 3 308.403 2.848 20 0 DFADHM CCC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CCC1 ZINC000414397387 295796812 /nfs/dbraw/zinc/79/68/12/295796812.db2.gz HXXNCVROUWVBGN-CQSZACIVSA-N -1 3 315.373 2.661 20 0 DFADHM O=C(N[C@H](CO)CC1CCC1)c1cc([O-])ccc1C(F)(F)F ZINC000279941419 215257201 /nfs/dbraw/zinc/25/72/01/215257201.db2.gz HQLWWDIKQRQYDC-JTQLQIEISA-N -1 3 317.307 2.692 20 0 DFADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000287067770 219294604 /nfs/dbraw/zinc/29/46/04/219294604.db2.gz XHQHMEVPKJEEHV-VIFPVBQESA-N -1 3 310.341 2.957 20 0 DFADHM C[C@@H]1COCC[C@H]1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000287086052 219303536 /nfs/dbraw/zinc/30/35/36/219303536.db2.gz YLDQIFVXZFKZSK-ZJUUUORDSA-N -1 3 317.307 2.813 20 0 DFADHM CCc1cccc(C(=O)Nc2ccc(OC)c(CO)c2)c1[O-] ZINC000092763523 398599761 /nfs/dbraw/zinc/59/97/61/398599761.db2.gz HZEIILMWJHDQNX-UHFFFAOYSA-N -1 3 301.342 2.708 20 0 DFADHM CO[C@@H]1CCC[C@H](Cc2nc(-c3ccc4n[n-]nc4c3)no2)C1 ZINC000350505649 398605689 /nfs/dbraw/zinc/60/56/89/398605689.db2.gz DPABWSVRPKNYOT-CMPLNLGQSA-N -1 3 313.361 2.756 20 0 DFADHM O=C(Nc1ccn(-c2ccncc2)n1)c1cc(Cl)ccc1[O-] ZINC000071028537 398607976 /nfs/dbraw/zinc/60/79/76/398607976.db2.gz FXGIBEQLAWCWBS-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000128400519 282978693 /nfs/dbraw/zinc/97/86/93/282978693.db2.gz AOPXZTQHFUEHBG-VXGBXAGGSA-N -1 3 322.380 2.755 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](C)c1ccc(F)cc1 ZINC000072248067 191087066 /nfs/dbraw/zinc/08/70/66/191087066.db2.gz UHGXHFGSTKKPDG-VIFPVBQESA-N -1 3 312.366 2.513 20 0 DFADHM COc1ccccc1[C@H](C)CC(=O)[N-]OCc1cccnc1 ZINC000152581136 186086899 /nfs/dbraw/zinc/08/68/99/186086899.db2.gz TWHMYLLTXQNJHT-CYBMUJFWSA-N -1 3 300.358 2.832 20 0 DFADHM C/C=C(\C=C\C(=O)Nc1ccccc1[N-]S(C)(=O)=O)CC ZINC000163966206 186144035 /nfs/dbraw/zinc/14/40/35/186144035.db2.gz PAKDCEFOAOABFZ-AMOHJNFISA-N -1 3 308.403 2.909 20 0 DFADHM CCO[C@@H](Cc1nc(-c2ccc3n[n-]nc3c2)no1)C(C)C ZINC000351457008 398636102 /nfs/dbraw/zinc/63/61/02/398636102.db2.gz IVVCNDXIKMLUKB-ZDUSSCGKSA-N -1 3 301.350 2.612 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCC3(C)C)nc21 ZINC000597414880 398637422 /nfs/dbraw/zinc/63/74/22/398637422.db2.gz RPASYINLNRWGIA-JTQLQIEISA-N -1 3 301.346 2.724 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)[n-]c21 ZINC000597419080 398638390 /nfs/dbraw/zinc/63/83/90/398638390.db2.gz ZCRRSVKYWPBZSU-FOGDFJRCSA-N -1 3 313.357 2.724 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)nc21 ZINC000597419080 398638393 /nfs/dbraw/zinc/63/83/93/398638393.db2.gz ZCRRSVKYWPBZSU-FOGDFJRCSA-N -1 3 313.357 2.724 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CCC3(C)C)[n-]c21 ZINC000597414880 398637419 /nfs/dbraw/zinc/63/74/19/398637419.db2.gz RPASYINLNRWGIA-JTQLQIEISA-N -1 3 301.346 2.724 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C[C@H](C)[C@H]2CCCO2)c([O-])c1 ZINC000597440808 398641565 /nfs/dbraw/zinc/64/15/65/398641565.db2.gz GKCKUFVAGLOGLG-XHDPSFHLSA-N -1 3 321.373 2.713 20 0 DFADHM CC(C)(CNCc1cccc(F)c1Br)C(=O)[O-] ZINC000414676211 295814922 /nfs/dbraw/zinc/81/49/22/295814922.db2.gz GURRFONJPJIJPP-UHFFFAOYSA-N -1 3 304.159 2.789 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2cccc(C(=O)NC)c2C)c1 ZINC000093962817 398650617 /nfs/dbraw/zinc/65/06/17/398650617.db2.gz IIDQYCFNKGUVLM-UHFFFAOYSA-N -1 3 312.369 2.875 20 0 DFADHM O=S(=O)([N-]C/C=C/c1ccccc1)c1cc(F)cc(F)c1 ZINC000112706263 282723071 /nfs/dbraw/zinc/72/30/71/282723071.db2.gz OMPMCNCPWWUHGC-QPJJXVBHSA-N -1 3 309.337 2.957 20 0 DFADHM CCOC(=O)c1csc(NC(=O)c2cc(CC)ccc2[O-])n1 ZINC000094125381 398653423 /nfs/dbraw/zinc/65/34/23/398653423.db2.gz JKOVESFZNBMSPG-UHFFFAOYSA-N -1 3 320.370 2.840 20 0 DFADHM CC(C)C[C@@H]1C[C@H](NC(=O)NCc2ccc([O-])c(F)c2)CCO1 ZINC000271953464 186415932 /nfs/dbraw/zinc/41/59/32/186415932.db2.gz JULXWQKGBKCYTD-ZIAGYGMSSA-N -1 3 324.396 2.924 20 0 DFADHM CCc1cccc(C(=O)Nc2cnn(CC(F)(F)F)c2)c1[O-] ZINC000094156466 398655187 /nfs/dbraw/zinc/65/51/87/398655187.db2.gz ZYNHHMNVHDHORL-UHFFFAOYSA-N -1 3 313.279 2.966 20 0 DFADHM Cc1ccc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000171885582 198000644 /nfs/dbraw/zinc/00/06/44/198000644.db2.gz PCIVINVYDQXURO-LBPRGKRZSA-N -1 3 322.405 2.686 20 0 DFADHM CN1C(=O)N(Cc2ccc([O-])c(F)c2)C(=O)C12CCCCC2 ZINC000280063960 215348557 /nfs/dbraw/zinc/34/85/57/215348557.db2.gz KNZYCHHLOGQFLI-UHFFFAOYSA-N -1 3 306.337 2.628 20 0 DFADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000380848709 398658667 /nfs/dbraw/zinc/65/86/67/398658667.db2.gz OKVOJTZJYZZKDU-HZGVNTEJSA-N -1 3 324.627 2.789 20 0 DFADHM CCc1c(C(=O)Nc2nc(C)ccc2[O-])cnn1C(C)(C)C ZINC000280092722 215369415 /nfs/dbraw/zinc/36/94/15/215369415.db2.gz LSOTVFKACOHTNJ-UHFFFAOYSA-N -1 3 302.378 2.862 20 0 DFADHM CO[C@@]1(C)CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000280116181 215387077 /nfs/dbraw/zinc/38/70/77/215387077.db2.gz RXILKHWLVCJEIT-SFHVURJKSA-N -1 3 303.402 2.912 20 0 DFADHM CCCn1ccc2ccc([N-]S(=O)(=O)C[C@H]3CCCO3)cc21 ZINC000172896167 198165072 /nfs/dbraw/zinc/16/50/72/198165072.db2.gz OSKRKCAIXCOXIC-OAHLLOKOSA-N -1 3 322.430 2.972 20 0 DFADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1ccn(-c2ccccc2)n1 ZINC000277160001 213335384 /nfs/dbraw/zinc/33/53/84/213335384.db2.gz DCIYOSYHZVUKIS-OAHLLOKOSA-N -1 3 301.390 2.851 20 0 DFADHM COc1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1O ZINC000277154544 213332685 /nfs/dbraw/zinc/33/26/85/213332685.db2.gz CVIWGXOOMKNUNN-YVEFUNNKSA-N -1 3 315.369 2.952 20 0 DFADHM Cc1nc(C)c(CCC(=O)N(C)c2ccc3cc[nH]c3c2)c(=O)[n-]1 ZINC000280143553 215408063 /nfs/dbraw/zinc/40/80/63/215408063.db2.gz AQPCFPVIWNXAQT-UHFFFAOYSA-N -1 3 324.384 2.876 20 0 DFADHM CSCC1CCC(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)CC1 ZINC000597717798 398685044 /nfs/dbraw/zinc/68/50/44/398685044.db2.gz PUQUCLFFBHVLRH-UHFFFAOYSA-N -1 3 319.430 2.920 20 0 DFADHM CC(C)c1cccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000104138691 398686604 /nfs/dbraw/zinc/68/66/04/398686604.db2.gz NRKIGCZEIZGAJP-UHFFFAOYSA-N -1 3 308.337 2.946 20 0 DFADHM Cc1cccnc1C[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000104753390 398688852 /nfs/dbraw/zinc/68/88/52/398688852.db2.gz QGEWHVIZIVNWOE-UHFFFAOYSA-N -1 3 320.399 2.595 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc2[nH]ccc2c1 ZINC000593793528 398689009 /nfs/dbraw/zinc/68/90/09/398689009.db2.gz NKFZOOVTJXARIU-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc2[nH]ccc2c1 ZINC000593793528 398689013 /nfs/dbraw/zinc/68/90/13/398689013.db2.gz NKFZOOVTJXARIU-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc2[nH]ccc2c1 ZINC000593793528 398689016 /nfs/dbraw/zinc/68/90/16/398689016.db2.gz NKFZOOVTJXARIU-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1[O-] ZINC000104918524 398689848 /nfs/dbraw/zinc/68/98/48/398689848.db2.gz FAISJUMHRTWNNY-UHFFFAOYSA-N -1 3 310.353 2.862 20 0 DFADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104897448 398689939 /nfs/dbraw/zinc/68/99/39/398689939.db2.gz MIDLLGXPINERGC-ABAIWWIYSA-N -1 3 314.385 2.659 20 0 DFADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1c[n-]nn1 ZINC000173870789 198263276 /nfs/dbraw/zinc/26/32/76/198263276.db2.gz BNDVGVVYDBUISN-ZDUSSCGKSA-N -1 3 302.378 2.721 20 0 DFADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cnn[n-]1 ZINC000173870789 198263277 /nfs/dbraw/zinc/26/32/77/198263277.db2.gz BNDVGVVYDBUISN-ZDUSSCGKSA-N -1 3 302.378 2.721 20 0 DFADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cn[n-]n1 ZINC000173870789 198263279 /nfs/dbraw/zinc/26/32/79/198263279.db2.gz BNDVGVVYDBUISN-ZDUSSCGKSA-N -1 3 302.378 2.721 20 0 DFADHM Cn1c(CNC[C@@H](CC(=O)[O-])C(C)(C)C)nc2ccccc21 ZINC000277131147 213315615 /nfs/dbraw/zinc/31/56/15/213315615.db2.gz BPAQLCREFBUUJA-GFCCVEGCSA-N -1 3 303.406 2.800 20 0 DFADHM CC(C)(C)OC(=O)CN(CC1CC1)C(=O)c1ccccc1[O-] ZINC000593818172 398692790 /nfs/dbraw/zinc/69/27/90/398692790.db2.gz 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284382092 /nfs/dbraw/zinc/38/20/92/284382092.db2.gz KYAIVYQZIKNHPC-UHFFFAOYSA-N -1 3 311.451 2.891 20 0 DFADHM O=S(=O)(CC1CCCC1)c1nnc(CCC2CCCC2)[n-]1 ZINC000342634861 284382097 /nfs/dbraw/zinc/38/20/97/284382097.db2.gz KYAIVYQZIKNHPC-UHFFFAOYSA-N -1 3 311.451 2.891 20 0 DFADHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCO1 ZINC000420717222 296198612 /nfs/dbraw/zinc/19/86/12/296198612.db2.gz CXVRIMWBCUNOAH-GHMZBOCLSA-N -1 3 321.801 2.715 20 0 DFADHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)CCO1 ZINC000420715194 296198632 /nfs/dbraw/zinc/19/86/32/296198632.db2.gz APQYNAKNSAKCFA-UWVGGRQHSA-N -1 3 321.801 2.715 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](CCF)C2)c1 ZINC000618699654 399212711 /nfs/dbraw/zinc/21/27/11/399212711.db2.gz XXKBJHQMGFEDMB-GFCCVEGCSA-N -1 3 308.353 2.562 20 0 DFADHM CC(C)=CC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420736889 296199332 /nfs/dbraw/zinc/19/93/32/296199332.db2.gz YFSDLAJFCNLOAA-UHFFFAOYSA-N -1 3 309.309 2.672 20 0 DFADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420738463 296199359 /nfs/dbraw/zinc/19/93/59/296199359.db2.gz ZHEPQOZFBWFEOY-WPRPVWTQSA-N -1 3 323.336 2.894 20 0 DFADHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000420724266 296198888 /nfs/dbraw/zinc/19/88/88/296198888.db2.gz KUMLHPGEAYEGRC-QWRGUYRKSA-N -1 3 321.801 2.715 20 0 DFADHM COc1ccc(C(=O)NCCOc2ccc(C)cc2)c([O-])c1 ZINC000018074853 182092137 /nfs/dbraw/zinc/09/21/37/182092137.db2.gz RBDYUPOFAMZNTE-UHFFFAOYSA-N -1 3 301.342 2.518 20 0 DFADHM C[C@@]12COC[C@H]1CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C2 ZINC000622172480 399213986 /nfs/dbraw/zinc/21/39/86/399213986.db2.gz NEXHHUWYJIXARC-BXUZGUMPSA-N -1 3 315.291 2.520 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000622175867 399214995 /nfs/dbraw/zinc/21/49/95/399214995.db2.gz YPGAMQSALNYPES-DOMZBBRYSA-N -1 3 305.374 2.519 20 0 DFADHM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2O)C12CCC2 ZINC000622175074 399214651 /nfs/dbraw/zinc/21/46/51/399214651.db2.gz YFCDOOMAJKBOTJ-KGLIPLIRSA-N -1 3 319.401 2.954 20 0 DFADHM CC1(C)OCC[C@@H]1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622181063 399216541 /nfs/dbraw/zinc/21/65/41/399216541.db2.gz FXEDOIXFFJISRG-SNVBAGLBSA-N -1 3 317.307 2.956 20 0 DFADHM CCCn1c(=O)[n-]nc1S[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000601072480 399218136 /nfs/dbraw/zinc/21/81/36/399218136.db2.gz KRQYZUNOQOZXQK-JTQLQIEISA-N -1 3 313.423 2.606 20 0 DFADHM Clc1cccc2c1OCCC[C@@H]2N=c1ncnc2[nH][n-]cc1-2 ZINC000342783134 284411672 /nfs/dbraw/zinc/41/16/72/284411672.db2.gz HVFCSSBUWPIEQB-LBPRGKRZSA-N -1 3 315.764 2.706 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)NCC[C@@H]3CC3(F)F)c[n-]c12 ZINC000622198968 399222584 /nfs/dbraw/zinc/22/25/84/399222584.db2.gz LEVAWLZTPCVPPJ-SECBINFHSA-N -1 3 324.302 2.751 20 0 DFADHM O=C(NC[C@H]1CCOC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000267049441 205770365 /nfs/dbraw/zinc/77/03/65/205770365.db2.gz XAXXJACUDDSFRJ-CYBMUJFWSA-N -1 3 313.353 2.951 20 0 DFADHM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000608031788 399224905 /nfs/dbraw/zinc/22/49/05/399224905.db2.gz SEZOJSVVMMOVIB-JKSUJKDBSA-N -1 3 305.374 2.834 20 0 DFADHM CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267355652 206005905 /nfs/dbraw/zinc/00/59/05/206005905.db2.gz DGVVVKOHPXSYNN-SJCJKPOMSA-N -1 3 314.385 2.731 20 0 DFADHM CC(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267355658 206006406 /nfs/dbraw/zinc/00/64/06/206006406.db2.gz DGVVVKOHPXSYNN-YVEFUNNKSA-N -1 3 314.385 2.731 20 0 DFADHM Cc1[nH]c2ccc(CNC(=O)c3ccc4n[n-]nc4c3)cc2c1C ZINC000065119087 399237009 /nfs/dbraw/zinc/23/70/09/399237009.db2.gz CMWLNUGIUWVLHQ-UHFFFAOYSA-N -1 3 319.368 2.986 20 0 DFADHM CO[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])[C@H]1CCOC1 ZINC000614488455 399240221 /nfs/dbraw/zinc/24/02/21/399240221.db2.gz LTVGTNJZCNFHQN-NHYWBVRUSA-N -1 3 307.390 2.680 20 0 DFADHM CC(=O)Nc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000622274068 399243204 /nfs/dbraw/zinc/24/32/04/399243204.db2.gz SASTWDFWQUOOAF-UHFFFAOYSA-N -1 3 302.305 2.671 20 0 DFADHM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1ccc(F)cc1 ZINC000024577477 182383942 /nfs/dbraw/zinc/38/39/42/182383942.db2.gz YWZQNHCHYLASDB-UHFFFAOYSA-N -1 3 317.345 2.812 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc(C)c1F ZINC000608258228 399247519 /nfs/dbraw/zinc/24/75/19/399247519.db2.gz WHWXRSWOSTWEJG-UHFFFAOYSA-N -1 3 319.361 2.891 20 0 DFADHM C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000024866587 182393847 /nfs/dbraw/zinc/39/38/47/182393847.db2.gz SIKIBQNKHALIRN-OAHLLOKOSA-N -1 3 310.397 2.911 20 0 DFADHM O=S(=O)([N-][C@H]1CCOc2ccccc21)c1ccc(Cl)nc1 ZINC000024977388 182397195 /nfs/dbraw/zinc/39/71/95/182397195.db2.gz ATDWGMRTWFIHIJ-LBPRGKRZSA-N -1 3 324.789 2.537 20 0 DFADHM O=C(c1ccc([O-])c(Cl)c1)N1CCN(C2CCCC2)CC1 ZINC000055391309 296221737 /nfs/dbraw/zinc/22/17/37/296221737.db2.gz LQEWLISTILOUNF-UHFFFAOYSA-N -1 3 308.809 2.746 20 0 DFADHM C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332345340 296225014 /nfs/dbraw/zinc/22/50/14/296225014.db2.gz RSEMPZWVZILPAI-VHSXEESVSA-N -1 3 309.316 2.994 20 0 DFADHM O=C(c1nc2cnccc2s1)N1CCCc2cccc([O-])c21 ZINC000622474201 399255380 /nfs/dbraw/zinc/25/53/80/399255380.db2.gz IJAZBVABOZXGLU-UHFFFAOYSA-N -1 3 311.366 2.990 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)c1ccnn1CC(F)(F)F ZINC000622495136 399256638 /nfs/dbraw/zinc/25/66/38/399256638.db2.gz PCSXEAWVMXYGDW-UHFFFAOYSA-N -1 3 303.215 2.542 20 0 DFADHM CC(C)c1cc(C(=O)NCC(F)(F)CO)c([O-])c(C(C)C)c1 ZINC000622515963 399257522 /nfs/dbraw/zinc/25/75/22/399257522.db2.gz MGLHVRVPOXFJFY-UHFFFAOYSA-N -1 3 315.360 2.996 20 0 DFADHM CC(C)OCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000032402741 182641733 /nfs/dbraw/zinc/64/17/33/182641733.db2.gz RVEYVGDVTGVAMU-UHFFFAOYSA-N -1 3 309.790 2.573 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)c2sccc2SC)[n-]1 ZINC000618919399 399259246 /nfs/dbraw/zinc/25/92/46/399259246.db2.gz COMIVHVHXOGJCG-UHFFFAOYSA-N -1 3 311.388 2.622 20 0 DFADHM CCOC(=O)c1nc(NC(=O)c2sccc2SC)c[n-]1 ZINC000618919399 399259247 /nfs/dbraw/zinc/25/92/47/399259247.db2.gz COMIVHVHXOGJCG-UHFFFAOYSA-N -1 3 311.388 2.622 20 0 DFADHM CCc1cccc(C(=O)NCCOc2cncc(Cl)c2)c1[O-] ZINC000622581583 399261167 /nfs/dbraw/zinc/26/11/67/399261167.db2.gz ZEIYGLCCVHOUDJ-UHFFFAOYSA-N -1 3 320.776 2.812 20 0 DFADHM O=C([C@H](C1CC1)N1CCCC1)N1CCCc2cccc([O-])c21 ZINC000273876144 284539952 /nfs/dbraw/zinc/53/99/52/284539952.db2.gz PZICWVBFDBTNCE-KRWDZBQOSA-N -1 3 300.402 2.546 20 0 DFADHM Cn1ccnc1NC(=O)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000622709008 399267788 /nfs/dbraw/zinc/26/77/88/399267788.db2.gz VMIGBJGOHJRPOW-UHFFFAOYSA-N -1 3 301.737 2.716 20 0 DFADHM Cn1ccnc1NC(=O)c1cn[n-]c1-c1cccc(Cl)c1 ZINC000622709008 399267791 /nfs/dbraw/zinc/26/77/91/399267791.db2.gz VMIGBJGOHJRPOW-UHFFFAOYSA-N -1 3 301.737 2.716 20 0 DFADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000421154786 296238726 /nfs/dbraw/zinc/23/87/26/296238726.db2.gz NKJAHGOTYVQCRQ-HNNXBMFYSA-N -1 3 324.446 2.981 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@H]1c1ncc[nH]1 ZINC000364905873 296238734 /nfs/dbraw/zinc/23/87/34/296238734.db2.gz NQRHKOKYTUZKBA-HNNXBMFYSA-N -1 3 311.385 2.971 20 0 DFADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(C)c(-c2ncco2)c1)OC ZINC000421157193 296238899 /nfs/dbraw/zinc/23/88/99/296238899.db2.gz QBTVMYLFTCYYII-CYBMUJFWSA-N -1 3 324.402 2.817 20 0 DFADHM CC[C@H](CS(=O)(=O)[N-]c1cccc(OC(C)C)c1)OC ZINC000421166755 296239770 /nfs/dbraw/zinc/23/97/70/296239770.db2.gz QMEDUSSVLKKQHK-CYBMUJFWSA-N -1 3 301.408 2.641 20 0 DFADHM Cc1cccc([C@H](C)C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c1 ZINC000622738889 399269494 /nfs/dbraw/zinc/26/94/94/399269494.db2.gz KYHYXZSWTCYHBA-ZDUSSCGKSA-N -1 3 313.401 2.954 20 0 DFADHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)ccn1 ZINC000359403306 291646340 /nfs/dbraw/zinc/64/63/40/291646340.db2.gz HCFYNXYSYCYXRG-UHFFFAOYSA-N -1 3 322.333 2.693 20 0 DFADHM O=C(CCCCCc1cccs1)NCCCc1cc(=O)[nH][n-]1 ZINC000614921183 399281168 /nfs/dbraw/zinc/28/11/68/399281168.db2.gz NKTFCZMUCUWQHC-UHFFFAOYSA-N -1 3 321.446 2.623 20 0 DFADHM CC[C@@H](C(=O)NCCCc1cc(=O)[nH][n-]1)C1CCC(C)CC1 ZINC000614915160 399281217 /nfs/dbraw/zinc/28/12/17/399281217.db2.gz MAULHMDRDOMDPH-SSDMNJCBSA-N -1 3 307.438 2.611 20 0 DFADHM COC(=O)c1coc(C(=O)[N-]c2nc3c(s2)CCCC3)c1 ZINC000183708596 284612540 /nfs/dbraw/zinc/61/25/40/284612540.db2.gz OPLKSJIKNXBWSO-UHFFFAOYSA-N -1 3 306.343 2.654 20 0 DFADHM O=S(=O)([N-][C@H](CO)C1CCCCC1)c1ccc(Cl)s1 ZINC000040411605 183063077 /nfs/dbraw/zinc/06/30/77/183063077.db2.gz RODSWBSWBVAURQ-SNVBAGLBSA-N -1 3 323.867 2.621 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3CC[C@@H]3C(F)(F)F)c(=O)c2c1 ZINC000615028909 399292197 /nfs/dbraw/zinc/29/21/97/399292197.db2.gz FGEGZRPGTKHSNZ-GFCCVEGCSA-N -1 3 310.275 2.613 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](n3cc(C)cn3)C2)c1 ZINC000615066281 399297028 /nfs/dbraw/zinc/29/70/28/399297028.db2.gz SIRCJHBTJRXMCV-GFCCVEGCSA-N -1 3 317.414 2.706 20 0 DFADHM COc1cc(C(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)ccc1[O-] ZINC000619194937 399311214 /nfs/dbraw/zinc/31/12/14/399311214.db2.gz KBMLSGQKIXTGHT-GDBMZVCRSA-N -1 3 319.401 2.822 20 0 DFADHM C[C@H](CN(C)Cc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000042705308 183299398 /nfs/dbraw/zinc/29/93/98/183299398.db2.gz SHLUDBKZOFZTRW-MRVPVSSYSA-N -1 3 304.159 2.741 20 0 DFADHM CCn1ncc(Cl)c1C(=O)N1CCCc2cccc([O-])c21 ZINC000623021832 399314028 /nfs/dbraw/zinc/31/40/28/399314028.db2.gz FMKPZOMOMMUYSV-UHFFFAOYSA-N -1 3 305.765 2.855 20 0 DFADHM CC[C@H]1[C@H](CO)CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623029703 399315806 /nfs/dbraw/zinc/31/58/06/399315806.db2.gz SPSJLGLUEHIEBX-ZANVPECISA-N -1 3 317.307 2.644 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@H](O)C1)c1cc(Cl)ccc1Cl ZINC000615261853 399319182 /nfs/dbraw/zinc/31/91/82/399319182.db2.gz MNULBBIKVPZAIE-ZJUUUORDSA-N -1 3 324.229 2.575 20 0 DFADHM CCc1cc(C(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)ccc1[O-] ZINC000619269685 399323823 /nfs/dbraw/zinc/32/38/23/399323823.db2.gz KZPFCBOXKCLBRY-NOZJJQNGSA-N -1 3 317.307 2.746 20 0 DFADHM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000344827772 284691048 /nfs/dbraw/zinc/69/10/48/284691048.db2.gz AYJNLNGCABDURF-SNVBAGLBSA-N -1 3 308.325 2.567 20 0 DFADHM O=C(Cc1cncc([O-])c1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000615386580 399333334 /nfs/dbraw/zinc/33/33/34/399333334.db2.gz CFPPFZWPDHVEMT-OAHLLOKOSA-N -1 3 323.396 2.735 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c(F)c1 ZINC000104739173 194032469 /nfs/dbraw/zinc/03/24/69/194032469.db2.gz XOOWAJPHIBQBHT-CYBMUJFWSA-N -1 3 307.346 2.546 20 0 DFADHM CC(=O)[C@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000615518073 399346633 /nfs/dbraw/zinc/34/66/33/399346633.db2.gz UUEHEQUJGGDQBE-OAHLLOKOSA-N -1 3 307.365 2.824 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)c1ccccc1F ZINC000610230937 399348091 /nfs/dbraw/zinc/34/80/91/399348091.db2.gz DXSWJTBIQRGLMO-SECBINFHSA-N -1 3 319.336 2.776 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)c1ccccc1F ZINC000610230937 399348094 /nfs/dbraw/zinc/34/80/94/399348094.db2.gz DXSWJTBIQRGLMO-SECBINFHSA-N -1 3 319.336 2.776 20 0 DFADHM 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/nfs/dbraw/zinc/22/81/83/286228183.db2.gz BZIBLVUTWKQRSB-UHFFFAOYSA-N -1 3 308.721 2.716 20 0 DFADHM Cn1c(=O)[n-]nc1SCCn1ccc2cc(Cl)ccc21 ZINC000351899237 286240286 /nfs/dbraw/zinc/24/02/86/286240286.db2.gz SSDMFUVTALGYPE-UHFFFAOYSA-N -1 3 308.794 2.921 20 0 DFADHM Cc1ccnc(N2CCN(Cc3cc([O-])cc(F)c3)CC2)c1 ZINC000352010616 286269010 /nfs/dbraw/zinc/26/90/10/286269010.db2.gz HCZBCJVWFFJGFS-UHFFFAOYSA-N -1 3 301.365 2.557 20 0 DFADHM CCOC(=O)c1scnc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000352009766 286269013 /nfs/dbraw/zinc/26/90/13/286269013.db2.gz YSWNEKNAYDHANQ-WAYWQWQTSA-N -1 3 317.370 2.863 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc3cnccc32)o1 ZINC000352084019 286288232 /nfs/dbraw/zinc/28/82/32/286288232.db2.gz RQYNTDGPNQWJDH-LLVKDONJSA-N -1 3 317.370 2.571 20 0 DFADHM O=C([N-]c1ccnc2ccncc12)c1cc(-c2ccco2)on1 ZINC000427732398 296666442 /nfs/dbraw/zinc/66/64/42/296666442.db2.gz WKXMEHKHJGNVLC-UHFFFAOYSA-N -1 3 306.281 2.552 20 0 DFADHM CN1CCC[C@@H](NC(=O)/C=C\c2cncc([O-])c2)c2ccccc21 ZINC000493266678 299746578 /nfs/dbraw/zinc/74/65/78/299746578.db2.gz HLBABZJXJISOSR-XZVRFQMRSA-N -1 3 323.396 2.888 20 0 DFADHM CCNC(=O)c1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000352123176 286298145 /nfs/dbraw/zinc/29/81/45/286298145.db2.gz KYIPGTDHDQFGPN-UHFFFAOYSA-N -1 3 320.339 2.710 20 0 DFADHM O=C(N[C@H]1CCc2ccccc21)c1c[n-]nc1-c1ccccn1 ZINC000352142462 286302972 /nfs/dbraw/zinc/30/29/72/286302972.db2.gz WMDPTNPRVJJSLG-HNNXBMFYSA-N -1 3 304.353 2.889 20 0 DFADHM CCCCn1c(=O)[n-]nc1SCC1(C(=O)OC)CCCC1 ZINC000352161129 286308863 /nfs/dbraw/zinc/30/88/63/286308863.db2.gz UNEYCGLHPUORGU-UHFFFAOYSA-N -1 3 313.423 2.609 20 0 DFADHM O=C(NCc1cn2ccsc2n1)c1cc([O-])ccc1Cl ZINC000352226327 286323021 /nfs/dbraw/zinc/32/30/21/286323021.db2.gz FSMLDVXBLDPMKC-UHFFFAOYSA-N -1 3 307.762 2.685 20 0 DFADHM CSc1nsc([N-]C(=O)c2cccc3oc(C)nc32)n1 ZINC000352237561 286326228 /nfs/dbraw/zinc/32/62/28/286326228.db2.gz MCGCVBDYHQYXHT-UHFFFAOYSA-N -1 3 306.372 2.962 20 0 DFADHM Cc1ccc([C@H]2COCCN2C(=O)c2cccc(C)c2[O-])o1 ZINC000116700836 292273657 /nfs/dbraw/zinc/27/36/57/292273657.db2.gz WZQOFYSNDQXRLO-CQSZACIVSA-N -1 3 301.342 2.816 20 0 DFADHM COc1ccc(O[C@@H](C)C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000124320005 286346638 /nfs/dbraw/zinc/34/66/38/286346638.db2.gz IFZNNVTYHGGAQF-JTQLQIEISA-N -1 3 305.305 2.946 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H]2CSC[C@H]2C)c(Cl)cc1F ZINC000352337224 286346838 /nfs/dbraw/zinc/34/68/38/286346838.db2.gz FKEUWPKEFADCNL-KCJUWKMLSA-N -1 3 323.842 2.817 20 0 DFADHM CCOc1ccc(/C=C\C(=O)NCc2ncccc2[O-])cc1C ZINC000493308770 299754417 /nfs/dbraw/zinc/75/44/17/299754417.db2.gz YJZWOEVQTIIDEE-CLFYSBASSA-N -1 3 312.369 2.824 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1c(F)cncc1F ZINC000352497632 286388885 /nfs/dbraw/zinc/38/88/85/286388885.db2.gz AFVYICMNGKZDKZ-MRVPVSSYSA-N -1 3 316.304 2.538 20 0 DFADHM CC[C@H](Sc1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000352501072 286389958 /nfs/dbraw/zinc/38/99/58/286389958.db2.gz MFDIAHJBTGXUSM-HNNXBMFYSA-N -1 3 302.399 2.974 20 0 DFADHM Cc1ccc(OCCCC(=O)NCc2ncccc2[O-])cc1C ZINC000352502132 286390160 /nfs/dbraw/zinc/39/01/60/286390160.db2.gz RGEBXZAECIYAER-UHFFFAOYSA-N -1 3 314.385 2.879 20 0 DFADHM Cc1nc(-c2ccco2)ccc1C(=O)NCc1ncccc1[O-] ZINC000352502764 286390738 /nfs/dbraw/zinc/39/07/38/286390738.db2.gz YJQOUFPGGZUKBQ-UHFFFAOYSA-N -1 3 309.325 2.681 20 0 DFADHM O=C(NCc1ncccc1[O-])c1ncoc1-c1ccc(F)cc1 ZINC000352516254 286394651 /nfs/dbraw/zinc/39/46/51/286394651.db2.gz KMBSFZZCHLGYMN-UHFFFAOYSA-N -1 3 313.288 2.511 20 0 DFADHM Cc1sc(-c2ccco2)nc1C(=O)NCc1ncccc1[O-] ZINC000352516097 286394673 /nfs/dbraw/zinc/39/46/73/286394673.db2.gz JSEOZGKCHYPBRY-UHFFFAOYSA-N -1 3 315.354 2.742 20 0 DFADHM CCSc1ccc(CC(=O)NCc2ncccc2[O-])cc1 ZINC000352518343 286395749 /nfs/dbraw/zinc/39/57/49/286395749.db2.gz WYMBJCYIJOOZRS-UHFFFAOYSA-N -1 3 302.399 2.758 20 0 DFADHM O=C(CCCOc1ccc(Cl)cc1)NCc1ncccc1[O-] ZINC000352506545 286391962 /nfs/dbraw/zinc/39/19/62/286391962.db2.gz GUYFPSUYFXHYOE-UHFFFAOYSA-N -1 3 320.776 2.916 20 0 DFADHM O=C(NCc1ncccc1[O-])c1csc(Br)c1 ZINC000352508857 286392659 /nfs/dbraw/zinc/39/26/59/286392659.db2.gz NRDCFIFTPYJPEN-UHFFFAOYSA-N -1 3 313.176 2.541 20 0 DFADHM COc1ccc2cc(C(=O)NCc3ncccc3[O-])c(C)nc2c1 ZINC000352508438 286392688 /nfs/dbraw/zinc/39/26/88/286392688.db2.gz MNGYOQGFAAGDDI-UHFFFAOYSA-N -1 3 323.352 2.582 20 0 DFADHM Cc1cccc(NC(=O)NCC(=O)Nc2c(C)cccc2[O-])c1 ZINC000352635131 286426449 /nfs/dbraw/zinc/42/64/49/286426449.db2.gz AGVSPTKTLPHIST-UHFFFAOYSA-N -1 3 313.357 2.769 20 0 DFADHM CC(C)N(C(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CCOC1 ZINC000428483166 296701892 /nfs/dbraw/zinc/70/18/92/296701892.db2.gz QDDQSWKRFMJRAQ-AWEZNQCLSA-N -1 3 309.381 2.880 20 0 DFADHM Cc1ccc2c(c1)CN(C(=O)c1cc(C)nc(=O)[n-]1)C(C)(C)C2 ZINC000358876457 292324633 /nfs/dbraw/zinc/32/46/33/292324633.db2.gz GMOUAUIZYWYMAK-UHFFFAOYSA-N -1 3 311.385 2.776 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CCC2CCOCC2)sc1Cl ZINC000352993693 286523149 /nfs/dbraw/zinc/52/31/49/286523149.db2.gz RZGLWLTYSFODKU-UHFFFAOYSA-N -1 3 323.867 2.805 20 0 DFADHM Cc1ccccc1[C@H]([C@H](C)[N-]S(=O)(=O)c1ccco1)N(C)C ZINC000353097548 286550683 /nfs/dbraw/zinc/55/06/83/286550683.db2.gz NTEDWWDLYVWGAG-BBRMVZONSA-N -1 3 322.430 2.558 20 0 DFADHM C[C@@]1(CCNC(=O)/C=C/c2cncc([O-])c2)CC1(Cl)Cl ZINC000493462108 299785866 /nfs/dbraw/zinc/78/58/66/299785866.db2.gz WGIGGXQZDKBKRB-YWVDXFKGSA-N -1 3 315.200 2.891 20 0 DFADHM CC(C)c1csc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)n1 ZINC000353374878 286628042 /nfs/dbraw/zinc/62/80/42/286628042.db2.gz MXLFNLWKOBQWRB-UHFFFAOYSA-N -1 3 314.388 2.515 20 0 DFADHM C[C@@H](CNC(=O)c1cccc([O-])c1)c1nc(-c2ccccc2)no1 ZINC000182944696 158010767 /nfs/dbraw/zinc/01/07/67/158010767.db2.gz TTWGGWOSPQVHQP-LBPRGKRZSA-N -1 3 323.352 2.976 20 0 DFADHM COc1nnc(NC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)[n-]1 ZINC000183000298 158012305 /nfs/dbraw/zinc/01/23/05/158012305.db2.gz RCDXWWVMJDDXQI-OLZOCXBDSA-N -1 3 324.425 2.908 20 0 DFADHM COc1nc(NC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)n[n-]1 ZINC000183000298 158012307 /nfs/dbraw/zinc/01/23/07/158012307.db2.gz RCDXWWVMJDDXQI-OLZOCXBDSA-N -1 3 324.425 2.908 20 0 DFADHM COc1n[n-]c(NC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)n1 ZINC000183000298 158012309 /nfs/dbraw/zinc/01/23/09/158012309.db2.gz RCDXWWVMJDDXQI-OLZOCXBDSA-N -1 3 324.425 2.908 20 0 DFADHM Cc1cccc([O-])c1NC(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000183076766 158012601 /nfs/dbraw/zinc/01/26/01/158012601.db2.gz IQJUZJDGSNQGOK-UHFFFAOYSA-N -1 3 321.336 2.708 20 0 DFADHM COc1nnc(NC(=O)Cc2cc3c(ccc4ccccc34)o2)[n-]1 ZINC000182993435 158013073 /nfs/dbraw/zinc/01/30/73/158013073.db2.gz YGXIWYUVIYWHNY-UHFFFAOYSA-N -1 3 322.324 2.894 20 0 DFADHM COc1nc(NC(=O)Cc2cc3c(ccc4ccccc34)o2)n[n-]1 ZINC000182993435 158013075 /nfs/dbraw/zinc/01/30/75/158013075.db2.gz YGXIWYUVIYWHNY-UHFFFAOYSA-N -1 3 322.324 2.894 20 0 DFADHM COc1n[n-]c(NC(=O)Cc2cc3c(ccc4ccccc34)o2)n1 ZINC000182993435 158013077 /nfs/dbraw/zinc/01/30/77/158013077.db2.gz YGXIWYUVIYWHNY-UHFFFAOYSA-N -1 3 322.324 2.894 20 0 DFADHM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc([O-])cc2F)c1C ZINC000183263738 158014012 /nfs/dbraw/zinc/01/40/12/158014012.db2.gz FEDHNZIYWXKPDJ-UHFFFAOYSA-N -1 3 320.320 2.905 20 0 DFADHM Cc1ccc(F)cc1NC(=O)[C@H](C)[S@](=O)c1cccc([O-])c1 ZINC000184047142 158027224 /nfs/dbraw/zinc/02/72/24/158027224.db2.gz LWIKLLDHLWMTIX-SAHAZLINSA-N -1 3 321.373 2.975 20 0 DFADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)[S@@](=O)c1cccc([O-])c1 ZINC000184047086 158027385 /nfs/dbraw/zinc/02/73/85/158027385.db2.gz LWIKLLDHLWMTIX-RKFFSXRUSA-N -1 3 321.373 2.975 20 0 DFADHM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000184760236 158038317 /nfs/dbraw/zinc/03/83/17/158038317.db2.gz ZTCAVHQCYOAPRC-MEDUHNTESA-N -1 3 307.357 2.576 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000185214779 158048908 /nfs/dbraw/zinc/04/89/08/158048908.db2.gz JIIWMZXSTNCMQJ-KBMXLJTQSA-N -1 3 317.385 2.751 20 0 DFADHM CN(C(=O)c1c[n-]nc1-c1cccc(Cl)c1)c1nncs1 ZINC000185368370 158056349 /nfs/dbraw/zinc/05/63/49/158056349.db2.gz AKEAUXPYYBVATO-UHFFFAOYSA-N -1 3 319.777 2.858 20 0 DFADHM CN(C(=O)c1cn[n-]c1-c1cccc(Cl)c1)c1nncs1 ZINC000185368370 158056351 /nfs/dbraw/zinc/05/63/51/158056351.db2.gz AKEAUXPYYBVATO-UHFFFAOYSA-N -1 3 319.777 2.858 20 0 DFADHM CCCCOCCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000248143618 158161208 /nfs/dbraw/zinc/16/12/08/158161208.db2.gz CWJGRLUWEICNOJ-UHFFFAOYSA-N -1 3 323.817 2.964 20 0 DFADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000248715485 158198305 /nfs/dbraw/zinc/19/83/05/158198305.db2.gz DRXGHFIKXZXJEX-KGLIPLIRSA-N -1 3 315.421 2.739 20 0 DFADHM Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)[n-]c(=O)n1 ZINC000354942266 158245837 /nfs/dbraw/zinc/24/58/37/158245837.db2.gz FEAFTEPOCKDLPU-HNNXBMFYSA-N -1 3 315.348 2.901 20 0 DFADHM CC[C@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(C)(C)C ZINC000357470116 158364817 /nfs/dbraw/zinc/36/48/17/158364817.db2.gz IGGDAFGIMXCGEF-ZDUSSCGKSA-N -1 3 318.421 2.535 20 0 DFADHM CCCn1c(=O)[n-]nc1S[C@H](CC)C(=O)OC(C)(C)C ZINC000358388894 158375814 /nfs/dbraw/zinc/37/58/14/158375814.db2.gz LZSRPYUPJKUMSM-SECBINFHSA-N -1 3 301.412 2.606 20 0 DFADHM COc1cccc([C@@H]2C[C@H]2CNC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000493673916 299807295 /nfs/dbraw/zinc/80/72/95/299807295.db2.gz NIWNLRYENAWJFI-YMTSHVIYSA-N -1 3 324.380 2.729 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)c1ccc(Cl)s1 ZINC000430293509 296784053 /nfs/dbraw/zinc/78/40/53/296784053.db2.gz DOIXMRHFSYUPGB-UHFFFAOYSA-N -1 3 313.737 2.745 20 0 DFADHM COC(=O)Nc1cc(NC(=O)[N-]OCCC2CC2)ccc1F ZINC000496529663 300075832 /nfs/dbraw/zinc/07/58/32/300075832.db2.gz UNXPRVHBFNQMDM-UHFFFAOYSA-N -1 3 311.313 2.857 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cn1 ZINC000430982111 296816847 /nfs/dbraw/zinc/81/68/47/296816847.db2.gz MUNOXTHJNSPZEY-UHFFFAOYSA-N -1 3 300.742 2.983 20 0 DFADHM COC(=O)c1cc(-c2nc(COc3cccc(F)c3)no2)c[n-]1 ZINC000431024565 296818462 /nfs/dbraw/zinc/81/84/62/296818462.db2.gz PPOPYDWMLLRNNU-UHFFFAOYSA-N -1 3 317.276 2.569 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@H]1CC12CCOCC2 ZINC000431148753 296823268 /nfs/dbraw/zinc/82/32/68/296823268.db2.gz ZDLRIXDZBZMELM-GFCCVEGCSA-N -1 3 309.793 2.521 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)c[n-]1 ZINC000431934202 296856209 /nfs/dbraw/zinc/85/62/09/296856209.db2.gz CHKUWEWIUPJMFZ-UHFFFAOYSA-N -1 3 322.324 2.511 20 0 DFADHM O=[S@@](Cc1ncc(Br)s1)c1cccc([O-])c1 ZINC000432652201 296884531 /nfs/dbraw/zinc/88/45/31/296884531.db2.gz BJSCZHSXVSWEHE-INIZCTEOSA-N -1 3 318.217 2.919 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(Cl)s1 ZINC000129146616 196023834 /nfs/dbraw/zinc/02/38/34/196023834.db2.gz WZOQHTMUWYJOKT-OPRDCNLKSA-N -1 3 321.851 2.637 20 0 DFADHM Cc1nc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(C)o1 ZINC000432886621 296888983 /nfs/dbraw/zinc/88/89/83/296888983.db2.gz DJHCQUPWIWFNEU-UHFFFAOYSA-N -1 3 324.340 2.602 20 0 DFADHM O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1cccc([O-])c1F ZINC000129325162 196038814 /nfs/dbraw/zinc/03/88/14/196038814.db2.gz RMOSYLZZBZWWDS-SNVBAGLBSA-N -1 3 300.289 2.596 20 0 DFADHM CCOc1ccc(F)c([N-]C(=O)c2cc3n(n2)CCCO3)c1F ZINC000432993925 296893705 /nfs/dbraw/zinc/89/37/05/296893705.db2.gz SZJSLMNBFOBHIN-UHFFFAOYSA-N -1 3 323.299 2.595 20 0 DFADHM Cc1cc(NC(=O)Cc2ccc([O-])cc2Cl)ccc1C(N)=O ZINC000132711745 196277337 /nfs/dbraw/zinc/27/73/37/196277337.db2.gz SHROTNPYHBHUIJ-UHFFFAOYSA-N -1 3 318.760 2.634 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CCOCC1 ZINC000133008684 196304711 /nfs/dbraw/zinc/30/47/11/196304711.db2.gz NUIWBOASFGIRKR-SECBINFHSA-N -1 3 321.801 2.573 20 0 DFADHM Cc1cnn(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000134216163 196370973 /nfs/dbraw/zinc/37/09/73/196370973.db2.gz HFPLKHWFCSMOMH-UHFFFAOYSA-N -1 3 313.279 2.945 20 0 DFADHM O=S(=O)([N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cccs1 ZINC000134467551 196394249 /nfs/dbraw/zinc/39/42/49/196394249.db2.gz MPAUACDHNWOCTI-UMVBOHGHSA-N -1 3 305.424 2.612 20 0 DFADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000134537862 196399929 /nfs/dbraw/zinc/39/99/29/196399929.db2.gz 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COC(=O)c1ccc(F)c([N-]C(=O)c2cc(C(C)C)on2)c1 ZINC000153203185 426375148 /nfs/dbraw/zinc/37/51/48/426375148.db2.gz LXIJNIOHRDOYGI-UHFFFAOYSA-N -1 3 306.293 2.976 20 0 DFADHM CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1ccccc1[O-] ZINC000153212940 426376656 /nfs/dbraw/zinc/37/66/56/426376656.db2.gz FLASDCPZXCHKIG-UHFFFAOYSA-N -1 3 308.378 2.882 20 0 DFADHM O=C(NCCc1cc(F)ccc1F)NCc1ccc([O-])c(F)c1 ZINC000176390035 426377250 /nfs/dbraw/zinc/37/72/50/426377250.db2.gz PITRCGULQNYTCI-UHFFFAOYSA-N -1 3 324.302 2.851 20 0 DFADHM CCOCCC1(C[N-]S(=O)(=O)c2ccccc2F)CCC1 ZINC000122520778 426379862 /nfs/dbraw/zinc/37/98/62/426379862.db2.gz NBPPJSCBGOSBBI-UHFFFAOYSA-N -1 3 315.410 2.701 20 0 DFADHM O=C(COCC1CC1)Nc1cc(Br)ccc1[O-] ZINC000176439584 426382107 /nfs/dbraw/zinc/38/21/07/426382107.db2.gz DHEXKZYFSRTOFL-UHFFFAOYSA-N -1 3 300.152 2.520 20 0 DFADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1cccs1 ZINC000122605159 426384490 /nfs/dbraw/zinc/38/44/90/426384490.db2.gz HELIQGPNBAOYIX-UHFFFAOYSA-N -1 3 303.355 2.646 20 0 DFADHM COc1cccc(C(=O)N2CCC(OC3CCCC3)CC2)c1[O-] ZINC000122717470 426389289 /nfs/dbraw/zinc/38/92/89/426389289.db2.gz AMFRBWZQXDOXAP-UHFFFAOYSA-N -1 3 319.401 2.965 20 0 DFADHM CC1(C)[C@H](NC(=O)Cc2ccc([O-])cc2Cl)[C@@H]2CCO[C@@H]21 ZINC000153590431 426393570 /nfs/dbraw/zinc/39/35/70/426393570.db2.gz WSNWGPVGLRAZJJ-GLQYFDAESA-N -1 3 309.793 2.518 20 0 DFADHM CSc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1Cl ZINC000176732104 426408641 /nfs/dbraw/zinc/40/86/41/426408641.db2.gz VNLCYKOVDHOAHP-JTQLQIEISA-N -1 3 321.851 2.983 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2ccccc2OC(F)F)c1 ZINC000123008982 426409288 /nfs/dbraw/zinc/40/92/88/426409288.db2.gz IKIVSBOCICWKKW-UHFFFAOYSA-N -1 3 323.295 2.932 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2C[C@@H]2c2ccccc2)s1 ZINC000176914955 426424153 /nfs/dbraw/zinc/42/41/53/426424153.db2.gz ZZOUYXKXVWZNRI-ZIAGYGMSSA-N -1 3 322.455 2.842 20 0 DFADHM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(-n2ccnc2)c1 ZINC000176964623 426428645 /nfs/dbraw/zinc/42/86/45/426428645.db2.gz 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3 311.381 2.650 20 0 DFADHM COCC1=CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CC1 ZINC000186330072 426506748 /nfs/dbraw/zinc/50/67/48/426506748.db2.gz OKFGMDBFDGVSCY-UHFFFAOYSA-N -1 3 312.369 2.668 20 0 DFADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC2CC2)c1 ZINC000280144420 426507563 /nfs/dbraw/zinc/50/75/63/426507563.db2.gz ZLWYFIOAPIRYPC-UHFFFAOYSA-N -1 3 301.795 2.621 20 0 DFADHM Cn1nc(-c2ccccc2)nc1[N-]C(=O)c1noc2c1CCCC2 ZINC000280155842 426508242 /nfs/dbraw/zinc/50/82/42/426508242.db2.gz APUVDUHLCWQFDY-UHFFFAOYSA-N -1 3 323.356 2.601 20 0 DFADHM O=C(NC[C@@H]1CCCSC1)c1c[n-]c2ccccc2c1=O ZINC000288149173 426514354 /nfs/dbraw/zinc/51/43/54/426514354.db2.gz XUOIXEFWEFKWKM-NSHDSACASA-N -1 3 302.399 2.813 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3CCOC4(CCC4)C3)c(=O)c2c1 ZINC000288252679 426516623 /nfs/dbraw/zinc/51/66/23/426516623.db2.gz GCNCMPSESWWRKT-UHFFFAOYSA-N -1 3 312.369 2.644 20 0 DFADHM [O-]c1cc(F)cc(CN2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000186393957 426518851 /nfs/dbraw/zinc/51/88/51/426518851.db2.gz 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ZINC000288475152 426524938 /nfs/dbraw/zinc/52/49/38/426524938.db2.gz KVWVJEYYLVVKIL-GAFUQQFSSA-N -1 3 315.339 2.672 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)[C@H]3COc4ccccc4C3)[n-]2)o1 ZINC000177822619 426526581 /nfs/dbraw/zinc/52/65/81/426526581.db2.gz ZJNISKNPLZPBIT-GFCCVEGCSA-N -1 3 324.340 2.563 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3COc4ccccc4C3)n2)o1 ZINC000177822619 426526585 /nfs/dbraw/zinc/52/65/85/426526585.db2.gz ZJNISKNPLZPBIT-GFCCVEGCSA-N -1 3 324.340 2.563 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)[C@H]3COc4ccccc4C3)n[n-]2)o1 ZINC000177822619 426526589 /nfs/dbraw/zinc/52/65/89/426526589.db2.gz ZJNISKNPLZPBIT-GFCCVEGCSA-N -1 3 324.340 2.563 20 0 DFADHM C[C@@H](NC(=O)c1ccc([O-])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000186490823 426537265 /nfs/dbraw/zinc/53/72/65/426537265.db2.gz ILQUXEMDWOZYPW-PXAZEXFGSA-N -1 3 316.376 2.953 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000177916877 426538794 /nfs/dbraw/zinc/53/87/94/426538794.db2.gz VAWAEGHBIZALTC-DOMZBBRYSA-N -1 3 317.364 2.764 20 0 DFADHM CC(C)Oc1cccc([C@@H](O)C[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000177933428 426541943 /nfs/dbraw/zinc/54/19/43/426541943.db2.gz QYJQJHAXVWOYDV-NSHDSACASA-N -1 3 323.286 2.524 20 0 DFADHM COCc1csc([N-]C(=O)c2c(F)ccc(F)c2F)n1 ZINC000186545158 426548450 /nfs/dbraw/zinc/54/84/50/426548450.db2.gz FQBBBGCIHZWOLM-UHFFFAOYSA-N -1 3 302.277 2.959 20 0 DFADHM COCCN(Cc1ccc(C)o1)C(=O)c1ccc([O-])c(C)c1 ZINC000272541271 426552973 /nfs/dbraw/zinc/55/29/73/426552973.db2.gz PVOIMSGPWHKZQM-UHFFFAOYSA-N -1 3 303.358 2.891 20 0 DFADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2o1 ZINC000194730419 426491731 /nfs/dbraw/zinc/49/17/31/426491731.db2.gz OTSGORINTLLIGP-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC000194730419 426491734 /nfs/dbraw/zinc/49/17/34/426491734.db2.gz OTSGORINTLLIGP-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM CC(C)OCCS(=O)(=O)[N-]c1cccc(-n2cccc2)c1 ZINC000177540344 426493774 /nfs/dbraw/zinc/49/37/74/426493774.db2.gz FZGNLYNVYGQWMK-UHFFFAOYSA-N -1 3 308.403 2.644 20 0 DFADHM O=C([O-])[C@H]1CSCCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000215355060 426554028 /nfs/dbraw/zinc/55/40/28/426554028.db2.gz NCGGMTJIBBVEQN-LLVKDONJSA-N -1 3 321.320 2.587 20 0 DFADHM CCc1nnsc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186266122 426498302 /nfs/dbraw/zinc/49/83/02/426498302.db2.gz HUQRWKHKCYNOFS-VIFPVBQESA-N -1 3 303.387 2.960 20 0 DFADHM CC1CCN(CC(=O)N2CC[C@H](C)c3cccc([O-])c32)CC1 ZINC000186261794 426498499 /nfs/dbraw/zinc/49/84/99/426498499.db2.gz HCGYPRTYZMPPFZ-AWEZNQCLSA-N -1 3 302.418 2.964 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)CCc2ccoc2)n[n-]1 ZINC000177613685 426498583 /nfs/dbraw/zinc/49/85/83/426498583.db2.gz GQUXESQLYMYWGT-UHFFFAOYSA-N -1 3 312.329 2.645 20 0 DFADHM Cc1ccn2ncc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)c2n1 ZINC000186269996 426499067 /nfs/dbraw/zinc/49/90/67/426499067.db2.gz KABOIUKTIWOFAQ-LLVKDONJSA-N -1 3 322.368 2.897 20 0 DFADHM Cc1cc(C)cc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000177641511 426500437 /nfs/dbraw/zinc/50/04/37/426500437.db2.gz MXJRAUABSVZURY-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM CN(C)Cc1ccnc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000177642988 426500756 /nfs/dbraw/zinc/50/07/56/426500756.db2.gz RCSAYLYRNQQABT-UHFFFAOYSA-N -1 3 305.765 2.755 20 0 DFADHM Cc1c(CCC(=O)N2CC[C@H](C)c3cccc([O-])c32)cnn1C ZINC000186321935 426503491 /nfs/dbraw/zinc/50/34/91/426503491.db2.gz GELWVRMLWJSMLB-LBPRGKRZSA-N -1 3 313.401 2.907 20 0 DFADHM Cc1cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)ccc1[O-] ZINC000272357419 426505391 /nfs/dbraw/zinc/50/53/91/426505391.db2.gz BNIOTDWBOKCHGT-AWEZNQCLSA-N -1 3 304.415 2.795 20 0 DFADHM COc1ccc(CN(C)C(=O)c2ccc([O-])c(C)c2)c(OC)c1 ZINC000272586697 426565212 /nfs/dbraw/zinc/56/52/12/426565212.db2.gz NIHANAHTKRIDII-UHFFFAOYSA-N -1 3 315.369 2.990 20 0 DFADHM COCC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccco1 ZINC000272603666 426569146 /nfs/dbraw/zinc/56/91/46/426569146.db2.gz UNAIJULSOHEBIP-CYBMUJFWSA-N -1 3 322.336 2.701 20 0 DFADHM CC(C)CNc1nnc(SCc2cc(=O)c([O-])co2)s1 ZINC000264528152 426569308 /nfs/dbraw/zinc/56/93/08/426569308.db2.gz ZBZTYDZAGFAKNV-UHFFFAOYSA-N -1 3 313.404 2.557 20 0 DFADHM COc1ccc(C[N-]C(=O)C(C)(F)F)cc1Br ZINC000289069711 426577354 /nfs/dbraw/zinc/57/73/54/426577354.db2.gz BJZFDAQLSNQHRF-UHFFFAOYSA-N -1 3 308.122 2.729 20 0 DFADHM CCOc1cc(-c2noc(C[C@H]3CCC(=O)[C@H]3C)n2)ccc1[O-] ZINC000289073872 426578196 /nfs/dbraw/zinc/57/81/96/426578196.db2.gz IMELGJMYVOFRJH-WDEREUQCSA-N -1 3 316.357 2.999 20 0 DFADHM CC(F)(F)C(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000289080155 426578797 /nfs/dbraw/zinc/57/87/97/426578797.db2.gz BZIAQMJAKLBRDZ-MRVPVSSYSA-N -1 3 306.715 2.829 20 0 DFADHM CN(C)CCN(C(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000186717257 426584976 /nfs/dbraw/zinc/58/49/76/426584976.db2.gz LYDIXGNCAHAXBA-UHFFFAOYSA-N -1 3 320.339 2.879 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@@H]1CCCCS1 ZINC000273067757 426586743 /nfs/dbraw/zinc/58/67/43/426586743.db2.gz KDCIUZLSNNAPKZ-NSHDSACASA-N -1 3 306.366 2.835 20 0 DFADHM COCCN(CC(F)F)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000273167783 426607220 /nfs/dbraw/zinc/60/72/20/426607220.db2.gz DJVWOWBOHSGQGM-UHFFFAOYSA-N -1 3 324.327 2.603 20 0 DFADHM O=C(CC1CCC1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178349634 426612693 /nfs/dbraw/zinc/61/26/93/426612693.db2.gz AMLYGFNTRWJORT-UHFFFAOYSA-N -1 3 316.401 2.760 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)CC1CCCC1)c1nc(C(C)(C)C)no1 ZINC000178356290 426613997 /nfs/dbraw/zinc/61/39/97/426613997.db2.gz NGABUGCDPDYBIJ-SNVBAGLBSA-N -1 3 315.439 2.538 20 0 DFADHM CC(C)OCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000186588001 426557172 /nfs/dbraw/zinc/55/71/72/426557172.db2.gz JJOBFHAPETYAKL-UHFFFAOYSA-N -1 3 312.218 2.697 20 0 DFADHM CC[C@@H](CCO)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000186592194 426559249 /nfs/dbraw/zinc/55/92/49/426559249.db2.gz JIXPSCWZLHJJPS-QMMMGPOBSA-N -1 3 313.810 2.682 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3CCCSCC3)c(=O)c2c1 ZINC000273283130 426633998 /nfs/dbraw/zinc/63/39/98/426633998.db2.gz WYBPOFHPJOBYOQ-UHFFFAOYSA-N -1 3 302.399 2.828 20 0 DFADHM CCc1cc2c(CN[C@@H](CO)C(C)(C)C)cc(=O)oc2cc1[O-] ZINC000265426278 426635288 /nfs/dbraw/zinc/63/52/88/426635288.db2.gz LEXBKOTXHQCOAX-INIZCTEOSA-N -1 3 319.401 2.558 20 0 DFADHM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000265475212 426644202 /nfs/dbraw/zinc/64/42/02/426644202.db2.gz CIEUQOYWQXCRDY-UHFFFAOYSA-N -1 3 321.398 2.637 20 0 DFADHM O=C([N-]C[C@H]1CCCN(Cc2ccc(F)cc2)C1)C(F)(F)F ZINC000289391630 426644822 /nfs/dbraw/zinc/64/48/22/426644822.db2.gz DPJUOXUCWNDTOB-GFCCVEGCSA-N -1 3 318.314 2.716 20 0 DFADHM C[C@H](c1ccccn1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289389015 426644998 /nfs/dbraw/zinc/64/49/98/426644998.db2.gz DGLUUXOCGDRAOJ-NEPJUHHUSA-N -1 3 315.339 2.533 20 0 DFADHM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)N1CCC[C@H](C)C1 ZINC000280745290 426647473 /nfs/dbraw/zinc/64/74/73/426647473.db2.gz KBGQEVVGUXZSLY-QWRGUYRKSA-N -1 3 312.360 2.521 20 0 DFADHM Cc1ccc(-c2nc([C@H]3CN(C(C)C)CCO3)no2)c([O-])c1C ZINC000273367145 426652270 /nfs/dbraw/zinc/65/22/70/426652270.db2.gz CFDIFJSRBYVGFB-CQSZACIVSA-N -1 3 317.389 2.841 20 0 DFADHM C[C@H](c1ccccc1Cl)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289424945 426654923 /nfs/dbraw/zinc/65/49/23/426654923.db2.gz NBXGBJYKJIZHJL-MNOVXSKESA-N -1 3 306.797 2.692 20 0 DFADHM Cc1cccc(-c2nc([C@@H]3CN(C(C)C)CCO3)no2)c1[O-] ZINC000273404697 426658975 /nfs/dbraw/zinc/65/89/75/426658975.db2.gz LJIUKHLVDVSTAX-ZDUSSCGKSA-N -1 3 303.362 2.532 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)C2(CCF)CC2)n[n-]1 ZINC000289458067 426661642 /nfs/dbraw/zinc/66/16/42/426661642.db2.gz GPWMNQJRFBAOMP-UHFFFAOYSA-N -1 3 304.325 2.559 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)c(F)c1 ZINC000273457357 426666717 /nfs/dbraw/zinc/66/67/17/426666717.db2.gz DEURJMSIVWZCEZ-STQMWFEESA-N -1 3 315.410 2.618 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000273458779 426667130 /nfs/dbraw/zinc/66/71/30/426667130.db2.gz DIDBISWXVJVLID-QWHCGFSZSA-N -1 3 315.410 2.618 20 0 DFADHM CN(CCCCCO)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280838650 426667894 /nfs/dbraw/zinc/66/78/94/426667894.db2.gz TXEPVDKPVGWRJA-UHFFFAOYSA-N -1 3 305.296 2.646 20 0 DFADHM C[C@H](O)[C@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000273468658 426669841 /nfs/dbraw/zinc/66/98/41/426669841.db2.gz HUEGCOXSVDHSCM-BLLLJJGKSA-N -1 3 303.402 2.647 20 0 DFADHM Cc1ccc([O-])c(NC(=O)CCc2nnc(C3CCCC3)o2)n1 ZINC000273491553 426672724 /nfs/dbraw/zinc/67/27/24/426672724.db2.gz MTLNKTSHYWRZIF-UHFFFAOYSA-N -1 3 316.361 2.708 20 0 DFADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1nc3ccccc3s1)C2 ZINC000280923510 426687298 /nfs/dbraw/zinc/68/72/98/426687298.db2.gz FJTCENCHJDMGDN-ZBEGNZNMSA-N -1 3 302.399 2.983 20 0 DFADHM CCc1cccc(OCCSc2ncc(C(=O)OC)[n-]2)c1 ZINC000187588407 426674714 /nfs/dbraw/zinc/67/47/14/426674714.db2.gz GXSFWHJJXROEGW-UHFFFAOYSA-N -1 3 306.387 2.930 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCc2ccccc2C1 ZINC000265718614 426678747 /nfs/dbraw/zinc/67/87/47/426678747.db2.gz FZYBHIWRVOIWSH-HNNXBMFYSA-N -1 3 314.360 2.888 20 0 DFADHM COCCC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000273541296 426683227 /nfs/dbraw/zinc/68/32/27/426683227.db2.gz BGTWPPIBVRTLDS-UHFFFAOYSA-N -1 3 323.817 2.820 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(-c2noc(C[C@H]3C=CCC3)n2)cc1 ZINC000273690328 426710628 /nfs/dbraw/zinc/71/06/28/426710628.db2.gz IBTGJSOMRYTRIE-NSHDSACASA-N -1 3 319.386 2.617 20 0 DFADHM CS[C@@H](C)c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000273706249 426712574 /nfs/dbraw/zinc/71/25/74/426712574.db2.gz KCNDTBUHWRGLDS-QMMMGPOBSA-N -1 3 313.404 2.532 20 0 DFADHM O=C(NCC(F)F)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187795277 426695853 /nfs/dbraw/zinc/69/58/53/426695853.db2.gz RUVXRIZNAGRKNM-UHFFFAOYSA-N -1 3 305.280 2.618 20 0 DFADHM O=C(NC1CC1)c1cccc(CNCc2cc([O-])cc(F)c2)c1 ZINC000274483583 426778654 /nfs/dbraw/zinc/77/86/54/426778654.db2.gz YELWFTANNDNBLZ-UHFFFAOYSA-N -1 3 314.360 2.713 20 0 DFADHM COc1nnc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)[n-]1 ZINC000179369654 426781490 /nfs/dbraw/zinc/78/14/90/426781490.db2.gz DRPACYIWZNXFIV-UONOGXRCSA-N -1 3 308.341 2.709 20 0 DFADHM COc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)n[n-]1 ZINC000179369654 426781493 /nfs/dbraw/zinc/78/14/93/426781493.db2.gz DRPACYIWZNXFIV-UONOGXRCSA-N -1 3 308.341 2.709 20 0 DFADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)n1 ZINC000179369654 426781495 /nfs/dbraw/zinc/78/14/95/426781495.db2.gz DRPACYIWZNXFIV-UONOGXRCSA-N -1 3 308.341 2.709 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccco1)c1cc(F)ccc1F ZINC000188717751 426782260 /nfs/dbraw/zinc/78/22/60/426782260.db2.gz FFIQEQFWJHLWNW-LBPRGKRZSA-N -1 3 301.314 2.987 20 0 DFADHM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccco2)C1(C)C ZINC000188745846 426784257 /nfs/dbraw/zinc/78/42/57/426784257.db2.gz YPRNWMTVUXWHRM-VXGBXAGGSA-N -1 3 301.408 2.542 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCc1c[nH]c2ccccc12 ZINC000179385155 426784900 /nfs/dbraw/zinc/78/49/00/426784900.db2.gz BYSVATFOPXNKEI-AATRIKPKSA-N -1 3 307.353 2.641 20 0 DFADHM COc1nnc(NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)[n-]1 ZINC000179374274 426784978 /nfs/dbraw/zinc/78/49/78/426784978.db2.gz SVPKJTQADHEKQK-LLVKDONJSA-N -1 3 317.393 2.830 20 0 DFADHM COc1nc(NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)n[n-]1 ZINC000179374274 426784981 /nfs/dbraw/zinc/78/49/81/426784981.db2.gz SVPKJTQADHEKQK-LLVKDONJSA-N -1 3 317.393 2.830 20 0 DFADHM COc1n[n-]c(NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)n1 ZINC000179374274 426784984 /nfs/dbraw/zinc/78/49/84/426784984.db2.gz SVPKJTQADHEKQK-LLVKDONJSA-N -1 3 317.393 2.830 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCOc1ccc(Cl)cc1 ZINC000179393118 426785221 /nfs/dbraw/zinc/78/52/21/426785221.db2.gz IILYWLUYUQKXKL-LZCJLJQNSA-N -1 3 318.760 2.649 20 0 DFADHM Cc1cccc(OCCN(C)C(=O)/C=C/c2cncc([O-])c2)c1 ZINC000179439156 426790080 /nfs/dbraw/zinc/79/00/80/426790080.db2.gz WYXHCBKUVCEAFS-VOTSOKGWSA-N -1 3 312.369 2.646 20 0 DFADHM Cc1ccccc1OCCN(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000179399597 426786841 /nfs/dbraw/zinc/78/68/41/426786841.db2.gz LYVALNMUVJPATP-BQYQJAHWSA-N -1 3 312.369 2.646 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCc1nc2ccccc2s1 ZINC000179408741 426786930 /nfs/dbraw/zinc/78/69/30/426786930.db2.gz PTFIKZVEAMWZIN-AATRIKPKSA-N -1 3 311.366 2.727 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)[C@H]1CCCO1 ZINC000188133683 426725057 /nfs/dbraw/zinc/72/50/57/426725057.db2.gz ZCRTVJIIRFFZOR-NXEZZACHSA-N -1 3 323.867 2.946 20 0 DFADHM O=S(=O)([N-]CCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000266498807 426727293 /nfs/dbraw/zinc/72/72/93/426727293.db2.gz YPPIZYIJOCOUFH-UHFFFAOYSA-N -1 3 303.252 2.586 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccccc1-n1cccn1 ZINC000179425930 426788444 /nfs/dbraw/zinc/78/84/44/426788444.db2.gz UJNQICFPMVFTGJ-VOTSOKGWSA-N -1 3 306.325 2.625 20 0 DFADHM [O-]C(=NOC1CCCC1)Nc1cccc(OCC(F)F)n1 ZINC000274260434 426731638 /nfs/dbraw/zinc/73/16/38/426731638.db2.gz WRLLTHLNSZLUGM-UHFFFAOYSA-N -1 3 301.293 2.721 20 0 DFADHM O=C([N-]OC1CCCC1)Nc1cccc(OCC(F)F)n1 ZINC000274260434 426731643 /nfs/dbraw/zinc/73/16/43/426731643.db2.gz WRLLTHLNSZLUGM-UHFFFAOYSA-N -1 3 301.293 2.721 20 0 DFADHM CCc1cnc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)o1 ZINC000281627586 426731768 /nfs/dbraw/zinc/73/17/68/426731768.db2.gz PUJBJPKLEQHYAN-UHFFFAOYSA-N -1 3 314.263 2.891 20 0 DFADHM Cc1cccc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)c1[O-] ZINC000266590095 426744659 /nfs/dbraw/zinc/74/46/59/426744659.db2.gz XARABUXOKASMKX-UHFFFAOYSA-N -1 3 301.346 2.570 20 0 DFADHM CC(C)c1cc(C(=O)NC[C@@]2(O)CCOC2)c([O-])c(C(C)C)c1 ZINC000179086622 426748009 /nfs/dbraw/zinc/74/80/09/426748009.db2.gz MJESYHUEBZETLK-SFHVURJKSA-N -1 3 321.417 2.520 20 0 DFADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290366316 426749680 /nfs/dbraw/zinc/74/96/80/426749680.db2.gz HHOBKVREENHFGP-QDXVKYEASA-N -1 3 321.364 2.752 20 0 DFADHM C[C@@H](CCO)C1(CNC(=O)c2cc([O-])ccc2Cl)CCC1 ZINC000290408945 426757929 /nfs/dbraw/zinc/75/79/29/426757929.db2.gz QOFRTSJHYBCUOU-NSHDSACASA-N -1 3 311.809 2.964 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C[C@@H]1n1ccnc1 ZINC000290416574 426760731 /nfs/dbraw/zinc/76/07/31/426760731.db2.gz FYPUNCUVRYLTNJ-ABAIWWIYSA-N -1 3 319.792 2.965 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c([O-])c1 ZINC000245695943 426764288 /nfs/dbraw/zinc/76/42/88/426764288.db2.gz KMRZLIFSBWOGBN-FVQBIDKESA-N -1 3 301.386 2.778 20 0 DFADHM CCC(=CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)CC ZINC000281796607 426765965 /nfs/dbraw/zinc/76/59/65/426765965.db2.gz SPTWXTNUTXXSCK-UHFFFAOYSA-N -1 3 320.355 2.650 20 0 DFADHM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1ccco1 ZINC000188574637 426766337 /nfs/dbraw/zinc/76/63/37/426766337.db2.gz QCWAKONUDJTODP-OAHLLOKOSA-N -1 3 303.339 2.941 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000179554401 426800507 /nfs/dbraw/zinc/80/05/07/426800507.db2.gz MGZCMIGYJIHCPY-JTQLQIEISA-N -1 3 304.371 2.519 20 0 DFADHM Cc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1S(C)(=O)=O ZINC000179559108 426803016 /nfs/dbraw/zinc/80/30/16/426803016.db2.gz UIXBRTYGNVXIIT-UHFFFAOYSA-N -1 3 319.382 2.665 20 0 DFADHM CSc1nnc(NC(=O)[C@@H](C)c2cn(C)c3ccccc23)[n-]1 ZINC000274631380 426807297 /nfs/dbraw/zinc/80/72/97/426807297.db2.gz CAZBMVDUTXGKMI-VIFPVBQESA-N -1 3 315.402 2.761 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H](C)c2cn(C)c3ccccc23)n1 ZINC000274631380 426807301 /nfs/dbraw/zinc/80/73/01/426807301.db2.gz CAZBMVDUTXGKMI-VIFPVBQESA-N -1 3 315.402 2.761 20 0 DFADHM CSc1nc(NC(=O)[C@@H](C)c2cn(C)c3ccccc23)n[n-]1 ZINC000274631380 426807306 /nfs/dbraw/zinc/80/73/06/426807306.db2.gz CAZBMVDUTXGKMI-VIFPVBQESA-N -1 3 315.402 2.761 20 0 DFADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000189030472 426811587 /nfs/dbraw/zinc/81/15/87/426811587.db2.gz OOHXATYJJYBIAX-UHFFFAOYSA-N -1 3 316.386 2.882 20 0 DFADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000189030472 426811590 /nfs/dbraw/zinc/81/15/90/426811590.db2.gz OOHXATYJJYBIAX-UHFFFAOYSA-N -1 3 316.386 2.882 20 0 DFADHM Cc1[nH]nc(C(=O)Nc2ccc([O-])c(COC(C)C)c2)c1C ZINC000290689106 426819084 /nfs/dbraw/zinc/81/90/84/426819084.db2.gz UTCKDTWKKAYTNU-UHFFFAOYSA-N -1 3 303.362 2.909 20 0 DFADHM O=C([N-]OCCO[C@@H]1CCCCO1)c1c(F)cccc1Cl ZINC000282066768 426823290 /nfs/dbraw/zinc/82/32/90/426823290.db2.gz BIVQVBQTGUJUQT-GFCCVEGCSA-N -1 3 317.744 2.684 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1[O-] ZINC000282083588 426826961 /nfs/dbraw/zinc/82/69/61/426826961.db2.gz NNDFLILIJIAZEZ-INMHGKMJSA-N -1 3 303.402 2.856 20 0 DFADHM CCOc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1OC ZINC000274775595 426835195 /nfs/dbraw/zinc/83/51/95/426835195.db2.gz CDSTZNRDFVTQSO-CQSZACIVSA-N -1 3 310.350 2.674 20 0 DFADHM CCOc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1OC ZINC000274775595 426835199 /nfs/dbraw/zinc/83/51/99/426835199.db2.gz CDSTZNRDFVTQSO-CQSZACIVSA-N -1 3 310.350 2.674 20 0 DFADHM CCC(CC)(CNC(=O)c1cc([O-])ccc1Cl)C(=O)OC ZINC000290794039 426840397 /nfs/dbraw/zinc/84/03/97/426840397.db2.gz DOGYQUSFFZYGBS-UHFFFAOYSA-N -1 3 313.781 2.755 20 0 DFADHM O=S(=O)([N-]c1ccncc1F)c1cccc2cnccc21 ZINC000180169078 426841807 /nfs/dbraw/zinc/84/18/07/426841807.db2.gz ZRQKZIQQCQVNEK-UHFFFAOYSA-N -1 3 303.318 2.570 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)n1 ZINC000295160492 426843281 /nfs/dbraw/zinc/84/32/81/426843281.db2.gz OQVMKUPTAQAARD-UWVGGRQHSA-N -1 3 303.328 2.907 20 0 DFADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000274830206 426847470 /nfs/dbraw/zinc/84/74/70/426847470.db2.gz SESVDINVHFATMI-NSHDSACASA-N -1 3 316.260 2.588 20 0 DFADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000274830206 426847474 /nfs/dbraw/zinc/84/74/74/426847474.db2.gz SESVDINVHFATMI-NSHDSACASA-N -1 3 316.260 2.588 20 0 DFADHM O=S(=O)([N-]c1cccnc1OCC(F)F)C1=CCCCC1 ZINC000295185478 426854595 /nfs/dbraw/zinc/85/45/95/426854595.db2.gz JSWUJNKTJPGKRN-UHFFFAOYSA-N -1 3 318.345 2.925 20 0 DFADHM C[C@H](Cc1ccccc1F)NC(=O)/C=C/c1cncc([O-])c1 ZINC000179448068 426790707 /nfs/dbraw/zinc/79/07/07/426790707.db2.gz CNUDMXSKYWDLPF-NNNHXZLVSA-N -1 3 300.333 2.687 20 0 DFADHM CCn1nc(C[N-]c2nnc([C@@H]3CCCO3)o2)c2ccccc21 ZINC000274551085 426791722 /nfs/dbraw/zinc/79/17/22/426791722.db2.gz WKINRACFUSROEG-AWEZNQCLSA-N -1 3 313.361 2.903 20 0 DFADHM O=C(NCCN1CCCCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000274562163 426792201 /nfs/dbraw/zinc/79/22/01/426792201.db2.gz DCGHHWNUIRCKCT-UHFFFAOYSA-N -1 3 314.788 2.791 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCCc1cccc(F)c1 ZINC000179489732 426795255 /nfs/dbraw/zinc/79/52/55/426795255.db2.gz YUFMLWHCVUXAGN-VOTSOKGWSA-N -1 3 300.333 2.689 20 0 DFADHM Cc1cccc(C)c1OCC(=O)[N-]c1nncn1-c1ccccc1 ZINC000181101599 426915606 /nfs/dbraw/zinc/91/56/06/426915606.db2.gz ALHLAWPGHXQANG-UHFFFAOYSA-N -1 3 322.368 2.902 20 0 DFADHM O=C([O-])C1(NCc2sccc2Br)CCCC1 ZINC000309306208 426915754 /nfs/dbraw/zinc/91/57/54/426915754.db2.gz AUWNBZSGZMIHDB-UHFFFAOYSA-N -1 3 304.209 2.998 20 0 DFADHM COc1ccc(Cn2ccc(NC(=O)c3cccc([O-])c3)n2)cc1 ZINC000189670588 426919957 /nfs/dbraw/zinc/91/99/57/426919957.db2.gz CQEWBHVMOPIFDE-UHFFFAOYSA-N -1 3 323.352 2.898 20 0 DFADHM C[C@@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)CC[S@](=O)C1 ZINC000291596796 426923061 /nfs/dbraw/zinc/92/30/61/426923061.db2.gz QEVNYNVEOAZIEX-UZJPJQLHSA-N -1 3 321.364 2.611 20 0 DFADHM CCOc1cc([N-]S(=O)(=O)CCOC(C)C)ccc1C ZINC000267277159 426861859 /nfs/dbraw/zinc/86/18/59/426861859.db2.gz GGQKUJGUMNPFEA-UHFFFAOYSA-N -1 3 301.408 2.560 20 0 DFADHM CC(C)c1cc(C(=O)N(C)CCOCCO)c([O-])c(C(C)C)c1 ZINC000282249879 426861969 /nfs/dbraw/zinc/86/19/69/426861969.db2.gz VQFVXTWFHARHJI-UHFFFAOYSA-N -1 3 323.433 2.720 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000282258776 426865063 /nfs/dbraw/zinc/86/50/63/426865063.db2.gz WABADANAYUBYMG-IMJJTQAJSA-N -1 3 303.402 2.856 20 0 DFADHM C[C@H]1CN(Cc2cc(Cl)cc3c2OCC3)CC[C@@H]1C(=O)[O-] ZINC000313853220 426924933 /nfs/dbraw/zinc/92/49/33/426924933.db2.gz MRMWYXYRWROZDR-HZMBPMFUSA-N -1 3 309.793 2.818 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c1F ZINC000181208561 426925112 /nfs/dbraw/zinc/92/51/12/426925112.db2.gz UYBBFHSEOWDNTJ-UHFFFAOYSA-N -1 3 315.316 2.891 20 0 DFADHM CC(C)OCc1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000189527260 426879361 /nfs/dbraw/zinc/87/93/61/426879361.db2.gz LPOMBIOLBLCDSA-AWEZNQCLSA-N -1 3 308.378 2.701 20 0 DFADHM CCN(CC)CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000337613815 426880512 /nfs/dbraw/zinc/88/05/12/426880512.db2.gz YSFFRDVDKWJZOA-UHFFFAOYSA-N -1 3 306.284 2.571 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000282319514 426882176 /nfs/dbraw/zinc/88/21/76/426882176.db2.gz YLJNUFCKZPJOKH-NUEKZKHPSA-N -1 3 319.401 2.557 20 0 DFADHM C[C@@]1(CNC(=O)Cc2ccc([O-])cc2Cl)CCCC[C@H]1O ZINC000305126600 426882312 /nfs/dbraw/zinc/88/23/12/426882312.db2.gz PCTYLKGSTXGNEK-ZBFHGGJFSA-N -1 3 311.809 2.646 20 0 DFADHM COc1cccc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)c1 ZINC000295265570 426882566 /nfs/dbraw/zinc/88/25/66/426882566.db2.gz HHWPRWBXBLNZLK-MRXNPFEDSA-N -1 3 321.398 2.825 20 0 DFADHM CCO[N-]C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000189575334 426892236 /nfs/dbraw/zinc/89/22/36/426892236.db2.gz XPCUTPNJNYOWHZ-JTQLQIEISA-N -1 3 314.769 2.828 20 0 DFADHM CCOc1ccccc1[C@@H](CC)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000337640335 426894468 /nfs/dbraw/zinc/89/44/68/426894468.db2.gz TYMLLEADLSFOPJ-CYBMUJFWSA-N -1 3 315.373 2.770 20 0 DFADHM CCc1cc(C(=O)NC[C@H](C)Cn2ccnc2C)ccc1[O-] ZINC000291511912 426903352 /nfs/dbraw/zinc/90/33/52/426903352.db2.gz QOJWNHBSZZFIJT-LBPRGKRZSA-N -1 3 301.390 2.526 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2cnc3n[nH]nc3c2)c([O-])c1 ZINC000337657672 426906033 /nfs/dbraw/zinc/90/60/33/426906033.db2.gz OFAACFWBHKKFOW-UHFFFAOYSA-N -1 3 311.345 2.608 20 0 DFADHM FC(F)(F)c1ccccc1[C@H]1C[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000337657625 426906130 /nfs/dbraw/zinc/90/61/30/426906130.db2.gz QIBJMDLILLXKMU-SKDRFNHKSA-N -1 3 319.290 2.713 20 0 DFADHM COc1cc(C(=O)NC[C@@H](C)N(C)c2ccccc2)ccc1[O-] ZINC000268078632 426908547 /nfs/dbraw/zinc/90/85/47/426908547.db2.gz OAVIAKPOIVBQDY-CYBMUJFWSA-N -1 3 314.385 2.656 20 0 DFADHM CC(C)(C)OC(=O)[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000295330728 426910975 /nfs/dbraw/zinc/91/09/75/426910975.db2.gz LXMMUPOXZNHRRI-JTQLQIEISA-N -1 3 313.344 2.834 20 0 DFADHM COc1cc(C(=O)NCCOc2cc(C)cc(C)c2)ccc1[O-] ZINC000268106750 426913684 /nfs/dbraw/zinc/91/36/84/426913684.db2.gz YIBWNQUHEHAOFZ-UHFFFAOYSA-N -1 3 315.369 2.826 20 0 DFADHM COc1cc(C(=O)N2CCOC3(CCCCC3)C2)ccc1[O-] ZINC000275926723 426948710 /nfs/dbraw/zinc/94/87/10/426948710.db2.gz BTDBKPUHMCVUMG-UHFFFAOYSA-N -1 3 305.374 2.576 20 0 DFADHM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([O-])c(OC)c1 ZINC000275929949 426951630 /nfs/dbraw/zinc/95/16/30/426951630.db2.gz CGNUMERTYHPCGA-UHFFFAOYSA-N -1 3 323.389 2.595 20 0 DFADHM C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000295426263 426953865 /nfs/dbraw/zinc/95/38/65/426953865.db2.gz UNRHXKQIRXUQBI-KOLCDFICSA-N -1 3 309.316 2.582 20 0 DFADHM COc1cc(C(=O)N[C@H](CCCO)c2ccccc2)ccc1[O-] ZINC000275952802 426954728 /nfs/dbraw/zinc/95/47/28/426954728.db2.gz GTCRMWATRLWHLU-OAHLLOKOSA-N -1 3 315.369 2.644 20 0 DFADHM CCc1ccc(C(=O)N2CC[S@@](=O)C(CC)(CC)C2)c([O-])c1 ZINC000189812252 426954948 /nfs/dbraw/zinc/95/49/48/426954948.db2.gz OTDDGAAHHYMBFF-JOCHJYFZSA-N -1 3 323.458 2.718 20 0 DFADHM C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000247644922 426955028 /nfs/dbraw/zinc/95/50/28/426955028.db2.gz VISGBFWSXBJFLZ-TVQRCGJNSA-N -1 3 314.788 2.597 20 0 DFADHM CCCNC(=O)[C@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000295446671 426961220 /nfs/dbraw/zinc/96/12/20/426961220.db2.gz UWPBIVMMUSEXAC-ZDUSSCGKSA-N -1 3 310.825 2.784 20 0 DFADHM COc1cc(C(=O)N[C@H](C)CCc2ccc(O)cc2)ccc1[O-] ZINC000275984598 426962336 /nfs/dbraw/zinc/96/23/36/426962336.db2.gz MADSOYHSTAZJNX-GFCCVEGCSA-N -1 3 315.369 2.858 20 0 DFADHM Cc1nc(C2CC2)[nH]c(=S)c1C(=O)Nc1ccccc1[O-] ZINC000283143126 426964752 /nfs/dbraw/zinc/96/47/52/426964752.db2.gz VKUBBEKNZDERSP-UHFFFAOYSA-N -1 3 301.371 2.909 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCC(C)(F)F)c1 ZINC000295460293 426967220 /nfs/dbraw/zinc/96/72/20/426967220.db2.gz 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303.811 2.907 20 0 DFADHM CO[C@@H](CS(=O)(=O)[N-]c1cccnc1C)c1ccccc1 ZINC000295395192 426941054 /nfs/dbraw/zinc/94/10/54/426941054.db2.gz VNOAKPLQPZBRNB-HNNXBMFYSA-N -1 3 306.387 2.519 20 0 DFADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(F)cc1Cl ZINC000296042904 427056065 /nfs/dbraw/zinc/05/60/65/427056065.db2.gz AOAKVYOCIAEMRC-UHFFFAOYSA-N -1 3 318.732 2.874 20 0 DFADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(F)cc1Cl ZINC000296042904 427056071 /nfs/dbraw/zinc/05/60/71/427056071.db2.gz AOAKVYOCIAEMRC-UHFFFAOYSA-N -1 3 318.732 2.874 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000291811703 426997257 /nfs/dbraw/zinc/99/72/57/426997257.db2.gz AVMQSPQNZFFNBG-MRXNPFEDSA-N -1 3 308.381 2.669 20 0 DFADHM CC(C)[C@@H](O)CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000295546387 426999669 /nfs/dbraw/zinc/99/96/69/426999669.db2.gz ULIPHAIZLGBHEV-INIZCTEOSA-N -1 3 301.386 2.611 20 0 DFADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc(C)cc1)[C@H](O)C(F)F ZINC000295551653 427002770 /nfs/dbraw/zinc/00/27/70/427002770.db2.gz 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COC(=O)c1ccc(C(=O)Nc2cc(-n3cccn3)ccc2C)[n-]1 ZINC000349541771 429002287 /nfs/dbraw/zinc/00/22/87/429002287.db2.gz ISQGYTSORHJGMW-UHFFFAOYSA-N -1 3 324.340 2.548 20 0 DFADHM CC1(C)C[C@H](C(=O)NCc2ncccc2[O-])c2ccccc2O1 ZINC000412298216 429006673 /nfs/dbraw/zinc/00/66/73/429006673.db2.gz KPFMQWZKFHYJIC-ZDUSSCGKSA-N -1 3 312.369 2.748 20 0 DFADHM Cc1cccc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000349585392 429009989 /nfs/dbraw/zinc/00/99/89/429009989.db2.gz LCPSIIKFPBLPRP-UHFFFAOYSA-N -1 3 319.368 2.845 20 0 DFADHM Cc1cccc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000349585392 429009995 /nfs/dbraw/zinc/00/99/95/429009995.db2.gz LCPSIIKFPBLPRP-UHFFFAOYSA-N -1 3 319.368 2.845 20 0 DFADHM O=C(NCc1ccc(-c2cccnc2)cc1)c1csc(=O)[n-]1 ZINC000376306853 429092914 /nfs/dbraw/zinc/09/29/14/429092914.db2.gz VOAZTCGYNQGTON-UHFFFAOYSA-N -1 3 311.366 2.841 20 0 DFADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000376318856 429094496 /nfs/dbraw/zinc/09/44/96/429094496.db2.gz BUQFNGWWVCLNDM-OQPBUACISA-N -1 3 313.375 2.688 20 0 DFADHM CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc(C)cc1[O-] ZINC000452332195 429095888 /nfs/dbraw/zinc/09/58/88/429095888.db2.gz XZWGQCWDHZIUOP-JTQLQIEISA-N -1 3 305.296 2.788 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cnc2n1CCCC2 ZINC000452331586 429096009 /nfs/dbraw/zinc/09/60/09/429096009.db2.gz DRYFADBGXOPEHK-UHFFFAOYSA-N -1 3 305.765 2.760 20 0 DFADHM CCn1cc([C@H](C)[N-]S(=O)(=O)c2sccc2Cl)cn1 ZINC000452008976 429037065 /nfs/dbraw/zinc/03/70/65/429037065.db2.gz TZOHZTUVSBUZRB-QMMMGPOBSA-N -1 3 319.839 2.657 20 0 DFADHM CC(C)c1cc(C(=O)NC[C@H]2CNC(=O)C2)c([O-])c(C(C)C)c1 ZINC000412462013 429046750 /nfs/dbraw/zinc/04/67/50/429046750.db2.gz JVPKUKFJGMQVFB-GFCCVEGCSA-N -1 3 318.417 2.505 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)c3nccs3)ccc2[n-]1 ZINC000412491616 429053824 /nfs/dbraw/zinc/05/38/24/429053824.db2.gz BNXUSIBXWGMQGO-VIFPVBQESA-N -1 3 316.386 2.909 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)c3nccs3)cc2[n-]1 ZINC000412491616 429053828 /nfs/dbraw/zinc/05/38/28/429053828.db2.gz BNXUSIBXWGMQGO-VIFPVBQESA-N -1 3 316.386 2.909 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2C)s1 ZINC000433825860 429054985 /nfs/dbraw/zinc/05/49/85/429054985.db2.gz JAWRIBFERLJAMA-LKFCYVNXSA-N -1 3 322.455 2.972 20 0 DFADHM COC(=O)[C@H](CC1CC1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000412523353 429057340 /nfs/dbraw/zinc/05/73/40/429057340.db2.gz QEHYRWSWBSLGNT-HNNXBMFYSA-N -1 3 313.353 2.617 20 0 DFADHM CCOc1nc2cc(C(=O)NCC3(OC)CCCC3)ccc2[n-]1 ZINC000452173421 429078045 /nfs/dbraw/zinc/07/80/45/429078045.db2.gz CLXMLAVZKFFNOV-UHFFFAOYSA-N -1 3 317.389 2.651 20 0 DFADHM CCOc1nc2ccc(C(=O)NCC3(OC)CCCC3)cc2[n-]1 ZINC000452173421 429078048 /nfs/dbraw/zinc/07/80/48/429078048.db2.gz CLXMLAVZKFFNOV-UHFFFAOYSA-N -1 3 317.389 2.651 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@](C)(F)C3)c[n-]c12 ZINC000452196711 429082357 /nfs/dbraw/zinc/08/23/57/429082357.db2.gz RKNXNVKVFIRCQK-QGZVFWFLSA-N -1 3 320.339 2.940 20 0 DFADHM C[C@@H]1C[C@H](CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)[C@@H](C)O1 ZINC000412696577 429084667 /nfs/dbraw/zinc/08/46/67/429084667.db2.gz VYWBJQVPCIZUBK-NQBHXWOUSA-N -1 3 319.401 2.649 20 0 DFADHM CCCOc1cccc([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424067584 429085991 /nfs/dbraw/zinc/08/59/91/429085991.db2.gz PTNWQVUIHFTOLY-UHFFFAOYSA-N -1 3 313.419 2.644 20 0 DFADHM COc1cc(C(=O)N2CC(C3CCCC3)C2)cc(OC)c1[O-] ZINC000376590363 429144360 /nfs/dbraw/zinc/14/43/60/429144360.db2.gz OBJXVQXFMWCTFV-UHFFFAOYSA-N -1 3 305.374 2.672 20 0 DFADHM CCOc1nc2ccc(C(=O)Nc3scnc3C)cc2[n-]1 ZINC000487446364 429153292 /nfs/dbraw/zinc/15/32/92/429153292.db2.gz UDAADQPWYUFLJG-UHFFFAOYSA-N -1 3 302.359 2.979 20 0 DFADHM CCOc1nc2cc(C(=O)Nc3scnc3C)ccc2[n-]1 ZINC000487446364 429153297 /nfs/dbraw/zinc/15/32/97/429153297.db2.gz UDAADQPWYUFLJG-UHFFFAOYSA-N -1 3 302.359 2.979 20 0 DFADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1csnn1 ZINC000412794135 429101979 /nfs/dbraw/zinc/10/19/79/429101979.db2.gz MZXLRFOGJMNIKU-SECBINFHSA-N -1 3 303.387 2.614 20 0 DFADHM CC(=O)c1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)c(F)c1 ZINC000412988920 429118193 /nfs/dbraw/zinc/11/81/93/429118193.db2.gz BRAQXJYYDJPJKX-UHFFFAOYSA-N -1 3 302.305 2.980 20 0 DFADHM CCCn1c(=O)[n-]nc1SCC(=O)CCc1ccccc1 ZINC000412984863 429118770 /nfs/dbraw/zinc/11/87/70/429118770.db2.gz RHWDNBPESWGTPH-UHFFFAOYSA-N -1 3 305.403 2.688 20 0 DFADHM COC(=O)[C@@H](C)SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000412993474 429120400 /nfs/dbraw/zinc/12/04/00/429120400.db2.gz WGZVHOILGRJNCS-SNVBAGLBSA-N -1 3 304.371 2.644 20 0 DFADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000487103083 429133101 /nfs/dbraw/zinc/13/31/01/429133101.db2.gz VGVDIAFYGOKXOF-OLZOCXBDSA-N -1 3 301.456 2.642 20 0 DFADHM CC(C)CCn1ncc(N=c2ncnc3[nH][n-]cc2-3)c1C(C)C ZINC000487108914 429134777 /nfs/dbraw/zinc/13/47/77/429134777.db2.gz GOTGRAKRYCEEAK-UHFFFAOYSA-N -1 3 313.409 2.836 20 0 DFADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000487138909 429135661 /nfs/dbraw/zinc/13/56/61/429135661.db2.gz PVMNNVUQXGGNEC-SECBINFHSA-N -1 3 316.835 2.706 20 0 DFADHM Cc1ccncc1C1=CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000364040913 429162534 /nfs/dbraw/zinc/16/25/34/429162534.db2.gz KBDYKWNRDOLCST-UHFFFAOYSA-N -1 3 319.368 2.591 20 0 DFADHM Cn1c(=O)[n-]nc1SCc1nc(-c2ccccc2)cs1 ZINC000435784435 429164139 /nfs/dbraw/zinc/16/41/39/429164139.db2.gz DNQIOZRVHULZIA-UHFFFAOYSA-N -1 3 304.400 2.937 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CCC(=O)c2ccccc21 ZINC000284096063 275002829 /nfs/dbraw/zinc/00/28/29/275002829.db2.gz XSBBSGXSEYIDQC-SECBINFHSA-N -1 3 324.262 2.522 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCC(=O)c2ccccc21 ZINC000284096063 275002830 /nfs/dbraw/zinc/00/28/30/275002830.db2.gz XSBBSGXSEYIDQC-SECBINFHSA-N -1 3 324.262 2.522 20 0 DFADHM Cc1n[nH]cc1-c1nnc(NC(=O)c2cccc(C)c2[O-])s1 ZINC000364011766 429158023 /nfs/dbraw/zinc/15/80/23/429158023.db2.gz ORZFDDJKJHPSHY-UHFFFAOYSA-N -1 3 315.358 2.503 20 0 DFADHM CCCn1c(=O)[n-]nc1SCCC(=O)Nc1ccccc1C ZINC000487940065 429175397 /nfs/dbraw/zinc/17/53/97/429175397.db2.gz BJRFCJVJGGMWCU-UHFFFAOYSA-N -1 3 320.418 2.823 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3CC(F)(F)C3)nc2)n1 ZINC000488444013 429179946 /nfs/dbraw/zinc/17/99/46/429179946.db2.gz PAVYBKHIZYTTNF-UHFFFAOYSA-N -1 3 320.343 3.264 20 0 DFADHM Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000424711099 429179962 /nfs/dbraw/zinc/17/99/62/429179962.db2.gz BQIRATVSYSYRQE-UWVGGRQHSA-N -1 3 310.279 2.874 20 0 DFADHM Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000424711099 429179966 /nfs/dbraw/zinc/17/99/66/429179966.db2.gz BQIRATVSYSYRQE-UWVGGRQHSA-N -1 3 310.279 2.874 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)c1 ZINC000495189912 429184287 /nfs/dbraw/zinc/18/42/87/429184287.db2.gz HMVXMSUKCKOYDZ-ACJLOTCBSA-N -1 3 313.397 2.677 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)[C@@H](C)C3CC3)c[n-]c12 ZINC000495196497 429185879 /nfs/dbraw/zinc/18/58/79/429185879.db2.gz UUVNQGOSFXWJAJ-JTQLQIEISA-N -1 3 302.349 2.846 20 0 DFADHM Clc1cc2c(s1)CCC[C@H]2N=c1ncnc2[nH][n-]cc1-2 ZINC000488726283 429190377 /nfs/dbraw/zinc/19/03/77/429190377.db2.gz VNICLYNUZWHWMN-SECBINFHSA-N -1 3 305.794 2.931 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCc2ccccc21 ZINC000364513611 429216715 /nfs/dbraw/zinc/21/67/15/429216715.db2.gz KEMWVLCJOOOGPC-MRXNPFEDSA-N -1 3 319.368 2.925 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCc2ccccc21 ZINC000364513611 429216718 /nfs/dbraw/zinc/21/67/18/429216718.db2.gz KEMWVLCJOOOGPC-MRXNPFEDSA-N -1 3 319.368 2.925 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCc2ccccc21 ZINC000364513609 429218018 /nfs/dbraw/zinc/21/80/18/429218018.db2.gz KEMWVLCJOOOGPC-INIZCTEOSA-N -1 3 319.368 2.925 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCc2ccccc21 ZINC000364513609 429218021 /nfs/dbraw/zinc/21/80/21/429218021.db2.gz KEMWVLCJOOOGPC-INIZCTEOSA-N -1 3 319.368 2.925 20 0 DFADHM O=C(OC[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc([O-])cc1 ZINC000495552684 429222628 /nfs/dbraw/zinc/22/26/28/429222628.db2.gz GEYXJPZCXYPFLX-HNNXBMFYSA-N -1 3 313.309 2.574 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C3CCOCC3)CC2)n1 ZINC000364437796 429201606 /nfs/dbraw/zinc/20/16/06/429201606.db2.gz CASVHDDLWCMLHY-CYBMUJFWSA-N -1 3 305.422 2.690 20 0 DFADHM COc1cccc(C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)c1[O-] ZINC000436831999 429201880 /nfs/dbraw/zinc/20/18/80/429201880.db2.gz QUSNNIHUGSACFH-NSHDSACASA-N -1 3 315.373 3.129 20 0 DFADHM Cc1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)c([O-])c1C ZINC000436785124 429202796 /nfs/dbraw/zinc/20/27/96/429202796.db2.gz CFBJKWIPOARVDW-UHFFFAOYSA-N -1 3 307.353 3.447 20 0 DFADHM CSc1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)c([O-])c1 ZINC000364617582 429235335 /nfs/dbraw/zinc/23/53/35/429235335.db2.gz LOABDNRBYYFLQB-UXIGCNINSA-N -1 3 307.415 2.802 20 0 DFADHM O=C(CC1(O)CCCC1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442826343 429236435 /nfs/dbraw/zinc/23/64/35/429236435.db2.gz XGJHHADHCBAOHS-UHFFFAOYSA-N -1 3 319.279 2.925 20 0 DFADHM CCCCCS(=O)(=O)[N-]CC(=O)c1c(F)cccc1Cl ZINC000425193835 429245185 /nfs/dbraw/zinc/24/51/85/429245185.db2.gz LYPAXODTDVSXSH-UHFFFAOYSA-N -1 3 321.801 2.771 20 0 DFADHM C[C@@H](CCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)CC(C)(C)C ZINC000443389807 429247073 /nfs/dbraw/zinc/24/70/73/429247073.db2.gz NRNGLGASCORYHA-NSHDSACASA-N -1 3 316.401 2.762 20 0 DFADHM CCOc1cccc(-c2cccc(NC(=O)c3nnc[n-]3)n2)c1 ZINC000489543223 429250494 /nfs/dbraw/zinc/25/04/94/429250494.db2.gz ANXAMELMYDFHDE-UHFFFAOYSA-N -1 3 309.329 2.518 20 0 DFADHM CCOc1cccc(-c2cccc(NC(=O)c3nc[n-]n3)n2)c1 ZINC000489543223 429250496 /nfs/dbraw/zinc/25/04/96/429250496.db2.gz ANXAMELMYDFHDE-UHFFFAOYSA-N -1 3 309.329 2.518 20 0 DFADHM COc1cc(C(=O)N[C@H]2c3ccc(F)cc3O[C@@H]2C)ccc1[O-] ZINC000489669192 429256667 /nfs/dbraw/zinc/25/66/67/429256667.db2.gz CUBKTOITODJVHI-JDNHERCYSA-N -1 3 317.316 2.792 20 0 DFADHM COc1cc(C(=O)N[C@@H]2c3ccc(F)cc3O[C@@H]2C)ccc1[O-] ZINC000489669179 429256846 /nfs/dbraw/zinc/25/68/46/429256846.db2.gz CUBKTOITODJVHI-ABKXIKBNSA-N -1 3 317.316 2.792 20 0 DFADHM Cc1ccncc1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000456203320 429257994 /nfs/dbraw/zinc/25/79/94/429257994.db2.gz YVAMJHWJDNXBCO-UHFFFAOYSA-N -1 3 312.369 2.739 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C1CC1 ZINC000443981924 429259587 /nfs/dbraw/zinc/25/95/87/429259587.db2.gz BIQYDFCGUZIRRZ-ZETCQYMHSA-N -1 3 311.300 2.921 20 0 DFADHM CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000495771211 429262592 /nfs/dbraw/zinc/26/25/92/429262592.db2.gz SLVGWIPUWASOGR-CYBMUJFWSA-N -1 3 320.389 2.522 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456277717 429268650 /nfs/dbraw/zinc/26/86/50/429268650.db2.gz HSNPQIPEXCCQIE-DOTOQJQBSA-N -1 3 308.381 2.789 20 0 DFADHM COc1ccc(SCCCC(=O)Nc2ccncc2[O-])cc1 ZINC000444282089 429269406 /nfs/dbraw/zinc/26/94/06/429269406.db2.gz AHDLOGYSODYAEO-UHFFFAOYSA-N -1 3 318.398 2.729 20 0 DFADHM CCc1ccc(C(=O)N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c([O-])c1 ZINC000456291417 429270010 /nfs/dbraw/zinc/27/00/10/429270010.db2.gz AHTPJNBVBAEHLI-KFWWJZLASA-N -1 3 303.402 2.578 20 0 DFADHM COc1cc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc(OC)c1[O-] ZINC000456304069 429272879 /nfs/dbraw/zinc/27/28/79/429272879.db2.gz SNMLBILLWWSJEW-BBRMVZONSA-N -1 3 317.385 2.670 20 0 DFADHM CSc1ccc(C(=O)N2CCC(c3cn[nH]c3)CC2)c([O-])c1 ZINC000365221302 429281468 /nfs/dbraw/zinc/28/14/68/429281468.db2.gz PDWIZHFUPCVYQE-UHFFFAOYSA-N -1 3 317.414 2.857 20 0 DFADHM O=C(N[C@@H]1COc2ccccc2C1)c1cc([O-])ccc1Cl ZINC000365453295 429322503 /nfs/dbraw/zinc/32/25/03/429322503.db2.gz ADCGTOHEBIUKDS-NSHDSACASA-N -1 3 303.745 2.779 20 0 DFADHM CSc1ccc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([O-])c1 ZINC000365521616 429332621 /nfs/dbraw/zinc/33/26/21/429332621.db2.gz KIAIWIWWHWVEKM-YUELXQCFSA-N -1 3 321.442 3.000 20 0 DFADHM CC(C)(C)CC(C)(C)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000456688408 429337053 /nfs/dbraw/zinc/33/70/53/429337053.db2.gz GUROQOZHTZEVDW-UHFFFAOYSA-N -1 3 319.449 2.760 20 0 DFADHM CN(C)Cc1cccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000449150383 429343434 /nfs/dbraw/zinc/34/34/34/429343434.db2.gz ZMDSFPDURKSELW-HNNXBMFYSA-N -1 3 320.433 2.758 20 0 DFADHM O=C(NCCC[C@@H]1CCOC1)c1ccc2c(c1[O-])CCCC2 ZINC000456745030 429343854 /nfs/dbraw/zinc/34/38/54/429343854.db2.gz GXQXOKBIYGYBDU-CYBMUJFWSA-N -1 3 303.402 2.818 20 0 DFADHM Cc1cccc(-n2ncc([N-]S(=O)(=O)N(C)C)c2C(C)C)c1 ZINC000365577985 429344043 /nfs/dbraw/zinc/34/40/43/429344043.db2.gz KVNOQAPGKHKKON-UHFFFAOYSA-N -1 3 322.434 2.522 20 0 DFADHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2ccco2)c1 ZINC000445731192 429290660 /nfs/dbraw/zinc/29/06/60/429290660.db2.gz HHNRZNIKHIYRSI-ZIAGYGMSSA-N -1 3 307.371 2.513 20 0 DFADHM C[C@@H](C(=O)[N-]OC1CCCCC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000495957381 429299112 /nfs/dbraw/zinc/29/91/12/429299112.db2.gz NODVCKQJTWJCNS-NEPJUHHUSA-N -1 3 314.426 2.916 20 0 DFADHM CCOC([O-])=NOCC1(COc2cccc(COC)c2)CC1 ZINC000496088620 429306114 /nfs/dbraw/zinc/30/61/14/429306114.db2.gz JGJBALQTEBNLCF-UHFFFAOYSA-N -1 3 309.362 2.670 20 0 DFADHM CCOC(=O)[N-]OCC1(COc2cccc(COC)c2)CC1 ZINC000496088620 429306118 /nfs/dbraw/zinc/30/61/18/429306118.db2.gz JGJBALQTEBNLCF-UHFFFAOYSA-N -1 3 309.362 2.670 20 0 DFADHM CCc1cc(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)ccc1[O-] ZINC000365886927 429395992 /nfs/dbraw/zinc/39/59/92/429395992.db2.gz RYOQAKWHXDMBET-WMLDXEAASA-N -1 3 321.442 2.739 20 0 DFADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)c1 ZINC000365901928 429399970 /nfs/dbraw/zinc/39/99/70/429399970.db2.gz QASZCQIDXLYWLY-LBPRGKRZSA-N -1 3 310.353 2.556 20 0 DFADHM CCCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000517785850 429400065 /nfs/dbraw/zinc/40/00/65/429400065.db2.gz FPVNLNWSDKNVPO-CYBMUJFWSA-N -1 3 324.446 2.832 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc(F)c2-c2nc[nH]n2)c([O-])c1 ZINC000365927619 429405914 /nfs/dbraw/zinc/40/59/14/429405914.db2.gz LTYVKBLGMMGPQN-UHFFFAOYSA-N -1 3 312.304 2.877 20 0 DFADHM Cc1ccc(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1F ZINC000426653253 429406001 /nfs/dbraw/zinc/40/60/01/429406001.db2.gz ZSDIOYWPWOYLQW-INIZCTEOSA-N -1 3 321.323 2.895 20 0 DFADHM COc1cc(C)nc(CNC[C@]2(CC(=O)[O-])CC[C@@H](C)C2)c1 ZINC000426642228 429406132 /nfs/dbraw/zinc/40/61/32/429406132.db2.gz GOCZPKXMSIFJBH-SJKOYZFVSA-N -1 3 306.406 2.769 20 0 DFADHM COc1cc(C)nc(CNC[C@@]2(CC(=O)[O-])CC[C@H](C)C2)c1 ZINC000426642227 429406270 /nfs/dbraw/zinc/40/62/70/429406270.db2.gz GOCZPKXMSIFJBH-SJCJKPOMSA-N -1 3 306.406 2.769 20 0 DFADHM O=C([O-])COc1ccc(CCNCc2cc(F)ccc2F)cc1 ZINC000426688483 429408036 /nfs/dbraw/zinc/40/80/36/429408036.db2.gz VUFUQGABXXYLCP-UHFFFAOYSA-N -1 3 321.323 2.761 20 0 DFADHM CC(C)Cc1cc(NC(=O)Cc2ccc([O-])cc2Cl)n[nH]1 ZINC000425922938 429349998 /nfs/dbraw/zinc/34/99/98/429349998.db2.gz RVZNQVKBIQQQLK-UHFFFAOYSA-N -1 3 307.781 3.148 20 0 DFADHM CCOc1ccc(C=CC(=O)Nc2nnc(SC)[n-]2)cc1 ZINC000491365126 429353780 /nfs/dbraw/zinc/35/37/80/429353780.db2.gz IMJPCYHYLOQIKJ-RMKNXTFCSA-N -1 3 304.375 2.577 20 0 DFADHM CCOc1ccc(C=CC(=O)Nc2nc(SC)n[n-]2)cc1 ZINC000491365126 429353783 /nfs/dbraw/zinc/35/37/83/429353783.db2.gz IMJPCYHYLOQIKJ-RMKNXTFCSA-N -1 3 304.375 2.577 20 0 DFADHM CCOc1ccc(C=CC(=O)Nc2n[n-]c(SC)n2)cc1 ZINC000491365126 429353786 /nfs/dbraw/zinc/35/37/86/429353786.db2.gz IMJPCYHYLOQIKJ-RMKNXTFCSA-N -1 3 304.375 2.577 20 0 DFADHM COCC1(CNC(=O)Cc2ccc([O-])cc2Cl)CCCC1 ZINC000456856451 429356243 /nfs/dbraw/zinc/35/62/43/429356243.db2.gz KGUFNEYKMPPIAA-UHFFFAOYSA-N -1 3 311.809 2.911 20 0 DFADHM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000513795644 429362834 /nfs/dbraw/zinc/36/28/34/429362834.db2.gz JJNXFNOESDHNRM-ZIAGYGMSSA-N -1 3 313.467 2.957 20 0 DFADHM Fc1cc2c(c(F)c1F)[C@@H]([N-]c1nnc(C(F)F)o1)CC2 ZINC000514711272 429367460 /nfs/dbraw/zinc/36/74/60/429367460.db2.gz LQIWDKQVWFMBLK-LURJTMIESA-N -1 3 305.206 3.524 20 0 DFADHM CCn1c(=O)[n-]nc1SCc1cc2c(c(Cl)c1)OCO2 ZINC000514723343 429370734 /nfs/dbraw/zinc/37/07/34/429370734.db2.gz GKWYSZWYXIDOEB-UHFFFAOYSA-N -1 3 313.766 2.678 20 0 DFADHM Cc1nc(C)c(CC(=O)N2CC[C@@H](CC(C)(C)C)C2)c(=O)[n-]1 ZINC000457007220 429376981 /nfs/dbraw/zinc/37/69/81/429376981.db2.gz FFDAKQOVARRGPC-ZDUSSCGKSA-N -1 3 305.422 2.626 20 0 DFADHM CCc1cc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)ccc1[O-] ZINC000426357729 429384306 /nfs/dbraw/zinc/38/43/06/429384306.db2.gz DKTMXCBWZXSMQH-HNNXBMFYSA-N -1 3 315.344 2.827 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H](c3cnn(C)c3)C2)ccc1[O-] ZINC000365862712 429390466 /nfs/dbraw/zinc/39/04/66/429390466.db2.gz SPZXETSOQFVPIB-HNNXBMFYSA-N -1 3 313.401 2.708 20 0 DFADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3C[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000518908819 429438646 /nfs/dbraw/zinc/43/86/46/429438646.db2.gz QYAJJCIXJIIIQD-GXFFZTMASA-N -1 3 312.373 2.935 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccccc1-c1cn[nH]c1 ZINC000491964468 429443689 /nfs/dbraw/zinc/44/36/89/429443689.db2.gz ORBJYXSGTSTTHF-AATRIKPKSA-N -1 3 306.325 2.829 20 0 DFADHM [O-]c1cccnc1CN1CCC2(CC1)OCCc1ccccc12 ZINC000519085748 429446347 /nfs/dbraw/zinc/44/63/47/429446347.db2.gz OBGDKNRVKDIZLT-UHFFFAOYSA-N -1 3 310.397 2.851 20 0 DFADHM CC(C)(C)C1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000457345906 429448437 /nfs/dbraw/zinc/44/84/37/429448437.db2.gz RWKZPHUZOGAFFR-UHFFFAOYSA-N -1 3 320.339 2.924 20 0 DFADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)/C=C/c1cncc([O-])c1 ZINC000492005999 429449203 /nfs/dbraw/zinc/44/92/03/429449203.db2.gz UZVLDCGHEMFIOS-UTFRODGCSA-N -1 3 300.280 2.600 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000519189994 429451531 /nfs/dbraw/zinc/45/15/31/429451531.db2.gz RVTVBZUKPUGOKY-UHFFFAOYSA-N -1 3 301.346 2.746 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000519189994 429451532 /nfs/dbraw/zinc/45/15/32/429451532.db2.gz RVTVBZUKPUGOKY-UHFFFAOYSA-N -1 3 301.346 2.746 20 0 DFADHM O=C(/C=C/c1ccccc1-n1cccn1)[N-]OCc1cccnc1 ZINC000492038051 429456141 /nfs/dbraw/zinc/45/61/41/429456141.db2.gz FQCFZVNWWZJPLC-CMDGGOBGSA-N -1 3 320.352 2.529 20 0 DFADHM COc1cc(C(=O)N2CC[C@@H](C)C(F)(F)C2)cc(OC)c1[O-] ZINC000427662368 429463765 /nfs/dbraw/zinc/46/37/65/429463765.db2.gz JJGWFHMHYBIDSV-SECBINFHSA-N -1 3 315.316 2.527 20 0 DFADHM CC(C)CC[C@H]1CCCN1C(=O)c1c[n-]c2ccncc2c1=O ZINC000519588517 429467911 /nfs/dbraw/zinc/46/79/11/429467911.db2.gz YIUYUVGUDKNGNW-CYBMUJFWSA-N -1 3 313.401 2.964 20 0 DFADHM COc1cc2c(cc1CN[C@@H](CCC(C)(C)C)C(=O)[O-])OCO2 ZINC000426735724 429411911 /nfs/dbraw/zinc/41/19/11/429411911.db2.gz UVGBGHJYJVKOHX-LBPRGKRZSA-N -1 3 323.389 2.793 20 0 DFADHM CCOc1cccc(CN[C@@H](C(=O)[O-])C2(C)CCCCC2)n1 ZINC000426742004 429412427 /nfs/dbraw/zinc/41/24/27/429412427.db2.gz HZAHXCBBXRVXER-HNNXBMFYSA-N -1 3 306.406 2.994 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC[C@H](CCCO)C1 ZINC000457146696 429412871 /nfs/dbraw/zinc/41/28/71/429412871.db2.gz PJHURQKTQDRASP-JTQLQIEISA-N -1 3 317.307 2.646 20 0 DFADHM CCCCOc1ccc(C(=O)N2CC[C@H](CCCO)C2)c([O-])c1 ZINC000457146939 429413545 /nfs/dbraw/zinc/41/35/45/429413545.db2.gz PQIPHVQOYPKAEJ-AWEZNQCLSA-N -1 3 321.417 2.806 20 0 DFADHM [O-]c1cc(F)cc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000449429899 429415813 /nfs/dbraw/zinc/41/58/13/429415813.db2.gz VJHMIOPDUOBBGK-QZTJIDSGSA-N -1 3 319.351 2.831 20 0 DFADHM O=C([O-])[C@@H](NCc1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000426827475 429418651 /nfs/dbraw/zinc/41/86/51/429418651.db2.gz SDDZAROMFBXTCB-INIZCTEOSA-N -1 3 317.316 2.512 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2ccnc3ccccc23)[n-]1 ZINC000491841009 429419414 /nfs/dbraw/zinc/41/94/14/429419414.db2.gz AQQXQHXZZDBTTB-SREVYHEPSA-N -1 3 311.370 2.727 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2ccnc3ccccc23)n1 ZINC000491841009 429419419 /nfs/dbraw/zinc/41/94/19/429419419.db2.gz AQQXQHXZZDBTTB-SREVYHEPSA-N -1 3 311.370 2.727 20 0 DFADHM CSc1nc(NC(=O)C=Cc2ccnc3ccccc23)n[n-]1 ZINC000491841009 429419422 /nfs/dbraw/zinc/41/94/22/429419422.db2.gz AQQXQHXZZDBTTB-SREVYHEPSA-N -1 3 311.370 2.727 20 0 DFADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2)cc1O ZINC000426823878 429420101 /nfs/dbraw/zinc/42/01/01/429420101.db2.gz FJQDYWVWFOTKFD-AWEZNQCLSA-N -1 3 301.342 2.706 20 0 DFADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1OC ZINC000426828595 429420270 /nfs/dbraw/zinc/42/02/70/429420270.db2.gz LOVKCFBANPCVCH-AWEZNQCLSA-N -1 3 307.371 2.681 20 0 DFADHM CCOc1cc(/C=C/C(=O)[N-]O[C@H]2CCCCO2)ccc1OC ZINC000491861442 429422108 /nfs/dbraw/zinc/42/21/08/429422108.db2.gz ASVUXFKGXOGMLL-VMSUTVGLSA-N -1 3 321.373 2.682 20 0 DFADHM Cc1cnc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)s1 ZINC000427027810 429429712 /nfs/dbraw/zinc/42/97/12/429429712.db2.gz CKXHTYRHKYYYLN-SNVBAGLBSA-N -1 3 313.382 2.784 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C=Cc1ccc(F)cc1 ZINC000491916794 429432996 /nfs/dbraw/zinc/43/29/96/429432996.db2.gz WUTSJHLJMRVOLS-RMKNXTFCSA-N -1 3 317.320 2.686 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C=Cc1ccc(F)cc1 ZINC000491916794 429433002 /nfs/dbraw/zinc/43/30/02/429433002.db2.gz WUTSJHLJMRVOLS-RMKNXTFCSA-N -1 3 317.320 2.686 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H](c3ccncn3)C2)ccc1[O-] ZINC000366196207 429433840 /nfs/dbraw/zinc/43/38/40/429433840.db2.gz WXOHYTZJBJMPJI-HNNXBMFYSA-N -1 3 311.385 2.764 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000427133747 429434186 /nfs/dbraw/zinc/43/41/86/429434186.db2.gz RKPFHXQQHXLEOP-VIFPVBQESA-N -1 3 319.336 2.543 20 0 DFADHM Cc1cc(CCCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c(C)s1 ZINC000427163452 429435717 /nfs/dbraw/zinc/43/57/17/429435717.db2.gz RDHZATVNCIVZLO-UHFFFAOYSA-N -1 3 321.402 2.836 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CC(C)(C)C(F)(F)F ZINC000518863509 429438038 /nfs/dbraw/zinc/43/80/38/429438038.db2.gz TUHURFGKQSAZON-UHFFFAOYSA-N -1 3 321.299 2.812 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CC(C)(C)C(F)(F)F ZINC000518863509 429438041 /nfs/dbraw/zinc/43/80/41/429438041.db2.gz TUHURFGKQSAZON-UHFFFAOYSA-N -1 3 321.299 2.812 20 0 DFADHM COc1ccc([O-])c(C(=O)NCCOc2ccc(C)cc2C)c1 ZINC000520751455 429527303 /nfs/dbraw/zinc/52/73/03/429527303.db2.gz NPIPZVGOVZUQRK-UHFFFAOYSA-N -1 3 315.369 2.826 20 0 DFADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@H](CCCO)C3)c2c1 ZINC000519644021 429475468 /nfs/dbraw/zinc/47/54/68/429475468.db2.gz 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CC(C)c1ccc(C(=O)N[C@H](C)[C@H](O)C(F)(F)F)c([O-])c1 ZINC000644752421 430811658 /nfs/dbraw/zinc/81/16/58/430811658.db2.gz LSYFVWCFINJMEY-PELKAZGASA-N -1 3 305.296 2.557 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000644752423 430812296 /nfs/dbraw/zinc/81/22/96/430812296.db2.gz LSYFVWCFINJMEY-PRHODGIISA-N -1 3 305.296 2.557 20 0 DFADHM CC(C)(O)C1CCC(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000651539726 430818149 /nfs/dbraw/zinc/81/81/49/430818149.db2.gz MEROZNAFBKANOV-UHFFFAOYSA-N -1 3 309.381 2.725 20 0 DFADHM CCc1cc(C(=O)N[C@@H](C)c2noc(C(F)F)n2)ccc1[O-] ZINC000644776259 430820180 /nfs/dbraw/zinc/82/01/80/430820180.db2.gz BQMXOEOXKPETTP-ZETCQYMHSA-N -1 3 311.288 2.766 20 0 DFADHM O=S(=O)([N-][C@@H]1CCCSC1)c1ccc(Cl)c(F)c1 ZINC000651590593 430826830 /nfs/dbraw/zinc/82/68/30/430826830.db2.gz PMQBOLMSCIMGKO-MRVPVSSYSA-N -1 3 309.815 2.653 20 0 DFADHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651600601 430828986 /nfs/dbraw/zinc/82/89/86/430828986.db2.gz 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CC(=O)c1ccc(C(=O)N[C@@H](C)c2c(C)noc2C)cc1[O-] ZINC000665300213 430891653 /nfs/dbraw/zinc/89/16/53/430891653.db2.gz HIMZQTFTMJZECL-QMMMGPOBSA-N -1 3 302.330 2.691 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1[O-] ZINC000665324854 430898168 /nfs/dbraw/zinc/89/81/68/430898168.db2.gz LMQCWBHFXNLBBL-FVQBIDKESA-N -1 3 317.385 2.528 20 0 DFADHM O=C([O-])CCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000665343057 430903020 /nfs/dbraw/zinc/90/30/20/430903020.db2.gz XARGUHZNKHQWIG-UHFFFAOYSA-N -1 3 317.433 2.759 20 0 DFADHM CCOc1cc(C[NH2+]CC2(C(=O)[O-])CCC2)cc(Cl)c1[O-] ZINC000665353528 430906150 /nfs/dbraw/zinc/90/61/50/430906150.db2.gz HCDHLEQYJGLQDG-UHFFFAOYSA-N -1 3 313.781 2.789 20 0 DFADHM Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1nc(C)ccc1[O-] ZINC000651926269 430916076 /nfs/dbraw/zinc/91/60/76/430916076.db2.gz MPTIAQZPEDVPLK-UHFFFAOYSA-N -1 3 314.389 2.500 20 0 DFADHM Cn1ccnc1[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000648870639 430919366 /nfs/dbraw/zinc/91/93/66/430919366.db2.gz 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ZINC000648951384 430946895 /nfs/dbraw/zinc/94/68/95/430946895.db2.gz FGVGCECPZQEKFZ-AWEZNQCLSA-N -1 3 318.417 2.645 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H](OC2CCC2)C1 ZINC000655285409 430950839 /nfs/dbraw/zinc/95/08/39/430950839.db2.gz RUGUIXJUZQSREH-CQSZACIVSA-N -1 3 307.365 2.634 20 0 DFADHM CCC(C)(C)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000655272945 430947269 /nfs/dbraw/zinc/94/72/69/430947269.db2.gz CGLWFCAJNYTJKQ-UHFFFAOYSA-N -1 3 310.825 2.992 20 0 DFADHM Cn1c(=O)ccc2c1CCC[C@@H]2NCc1cccc([O-])c1Cl ZINC000652049260 430947836 /nfs/dbraw/zinc/94/78/36/430947836.db2.gz CTFCWEQBVRRMLZ-ZDUSSCGKSA-N -1 3 318.804 2.912 20 0 DFADHM O=C(Cc1cncc([O-])c1)N1CCS[C@H](c2ccccc2)C1 ZINC000655407254 430994858 /nfs/dbraw/zinc/99/48/58/430994858.db2.gz OBDVYBJYXFZKSQ-INIZCTEOSA-N -1 3 314.410 2.646 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](OC3CCC3)C2)cc1[O-] ZINC000655409820 430995256 /nfs/dbraw/zinc/99/52/56/430995256.db2.gz ISFRXAXFHZSTNL-HNNXBMFYSA-N -1 3 317.385 2.769 20 0 DFADHM O=C([O-])[C@@H]1CCCCN1CCSc1ccc(F)cc1F ZINC000662206589 430997259 /nfs/dbraw/zinc/99/72/59/430997259.db2.gz USXKTYKLUGOHTC-LBPRGKRZSA-N -1 3 301.358 2.996 20 0 DFADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000665666276 430997435 /nfs/dbraw/zinc/99/74/35/430997435.db2.gz JXDZWPCXQXOJDA-NUEKZKHPSA-N -1 3 311.381 2.778 20 0 DFADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000662215539 431002828 /nfs/dbraw/zinc/00/28/28/431002828.db2.gz NBZVDCVCFOSFPF-XJKSGUPXSA-N -1 3 311.385 2.686 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@H](C)CC(F)F)ccc2[n-]1 ZINC000648961121 430951316 /nfs/dbraw/zinc/95/13/16/430951316.db2.gz VONBJBQNOUFDRB-SECBINFHSA-N -1 3 311.332 2.983 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@H](C)CC(F)F)cc2[n-]1 ZINC000648961121 430951320 /nfs/dbraw/zinc/95/13/20/430951320.db2.gz VONBJBQNOUFDRB-SECBINFHSA-N -1 3 311.332 2.983 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C)CC(F)F)nc2)n1 ZINC000645305321 430967133 /nfs/dbraw/zinc/96/71/33/430967133.db2.gz SSMMAYSZDAQMCP-JTQLQIEISA-N -1 3 322.359 3.510 20 0 DFADHM COc1cccc(S(=O)(=O)[N-][C@H](C)c2ccc(C)o2)c1F ZINC000655465886 431019502 /nfs/dbraw/zinc/01/95/02/431019502.db2.gz QDRMDWAOBFEWQD-SNVBAGLBSA-N -1 3 313.350 2.775 20 0 DFADHM COc1cccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)c1F ZINC000655474785 431020936 /nfs/dbraw/zinc/02/09/36/431020936.db2.gz KGBKALCVGAUFDF-GHMZBOCLSA-N -1 3 301.383 2.691 20 0 DFADHM C[C@@H]1SCC[C@@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000649173425 431021024 /nfs/dbraw/zinc/02/10/24/431021024.db2.gz SSYKICUUNAKJPI-CABZTGNLSA-N -1 3 307.415 2.730 20 0 DFADHM COc1cc(C(=O)N2C[C@@H](C)OC3(CCCC3)C2)ccc1[O-] ZINC000649179403 431022748 /nfs/dbraw/zinc/02/27/48/431022748.db2.gz LDWUGOLWCHDCNP-GFCCVEGCSA-N -1 3 305.374 2.575 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(C2CCOCC2)CC1 ZINC000649220864 431031188 /nfs/dbraw/zinc/03/11/88/431031188.db2.gz QJGOJKHZIKYRFN-UHFFFAOYSA-N -1 3 321.392 2.739 20 0 DFADHM C[C@@H](NCc1csc(Cc2ccccc2)n1)[C@H](C)C(=O)[O-] ZINC000652364396 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Cc1cccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1[O-] ZINC000654227770 431701264 /nfs/dbraw/zinc/70/12/64/431701264.db2.gz XZRAXLASTXKTIQ-CMPLNLGQSA-N -1 3 317.307 2.930 20 0 DFADHM CCc1nc(CNC[C@](C)(C(=O)[O-])c2ccccc2)cs1 ZINC000650800024 431704796 /nfs/dbraw/zinc/70/47/96/431704796.db2.gz PVXXPURKZMUJGO-INIZCTEOSA-N -1 3 304.415 2.838 20 0 DFADHM CC[C@H](C(=O)[O-])N(C)Cc1cc(Br)c(OC)s1 ZINC000650806725 431709712 /nfs/dbraw/zinc/70/97/12/431709712.db2.gz HMLYGEFXRZJTLU-SECBINFHSA-N -1 3 322.224 2.814 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)C1CC1 ZINC000647894865 431721310 /nfs/dbraw/zinc/72/13/10/431721310.db2.gz YLRZRQGCFDGUOG-SNVBAGLBSA-N -1 3 308.428 2.887 20 0 DFADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000651057440 431795034 /nfs/dbraw/zinc/79/50/34/431795034.db2.gz GXENTPNWEZMSCV-STQMWFEESA-N -1 3 322.430 2.823 20 0 DFADHM O=C(Nc1cnc2c(c1)CNCC2)c1ccc2c(c1[O-])CCCC2 ZINC000648106921 431818911 /nfs/dbraw/zinc/81/89/11/431818911.db2.gz 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ZINC000191478441 288541189 /nfs/dbraw/zinc/54/11/89/288541189.db2.gz HMMSSPMDRNQIEB-SFHVURJKSA-N -1 3 305.418 2.968 20 0 DFADHM CCc1nc(NC(=O)c2c(C)[n-]c(=O)nc2SC)sc1C ZINC000353688971 288627188 /nfs/dbraw/zinc/62/71/88/288627188.db2.gz YEKOCYGOTCLYSX-UHFFFAOYSA-N -1 3 324.431 2.792 20 0 DFADHM Cc1csc(=O)n1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153651649 289054519 /nfs/dbraw/zinc/05/45/19/289054519.db2.gz IEBUQZJTWBMSBU-UHFFFAOYSA-N -1 3 312.778 2.606 20 0 DFADHM COc1ccc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC000363346096 289080437 /nfs/dbraw/zinc/08/04/37/289080437.db2.gz RNUSSFYGPSWMBH-OAHLLOKOSA-N -1 3 313.353 2.694 20 0 DFADHM Cc1cc(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)no1 ZINC000363407826 289089532 /nfs/dbraw/zinc/08/95/32/289089532.db2.gz GPXRTLGGFRLASB-UHFFFAOYSA-N -1 3 324.340 2.635 20 0 DFADHM CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)c1cccnc1 ZINC000412894208 289112582 /nfs/dbraw/zinc/11/25/82/289112582.db2.gz QVZUPOAEZHDNJL-UHFFFAOYSA-N -1 3 302.349 2.563 20 0 DFADHM COC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000412915539 289117542 /nfs/dbraw/zinc/11/75/42/289117542.db2.gz SUWRYYHVCXWQAN-SFHVURJKSA-N -1 3 319.401 2.931 20 0 DFADHM C[C@H](CC(=O)Nc1ccc([O-])cc1F)NC(=O)c1ccccc1 ZINC000124289121 289426886 /nfs/dbraw/zinc/42/68/86/289426886.db2.gz MHOVLSQIHDSZHZ-LLVKDONJSA-N -1 3 316.332 2.678 20 0 DFADHM CCOc1ccncc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000436478342 297005341 /nfs/dbraw/zinc/00/53/41/297005341.db2.gz MCOYFHZEBBKWOP-UHFFFAOYSA-N -1 3 314.313 2.559 20 0 DFADHM CC(C)C[C@H](C)CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436485631 297006431 /nfs/dbraw/zinc/00/64/31/297006431.db2.gz GBIBEFWRSKBHDV-HNNXBMFYSA-N -1 3 304.434 2.832 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000436498174 297006721 /nfs/dbraw/zinc/00/67/21/297006721.db2.gz VEAWMGVMWRQTOO-CHWSQXEVSA-N -1 3 307.390 2.726 20 0 DFADHM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000436534924 297009945 /nfs/dbraw/zinc/00/99/45/297009945.db2.gz JDIHIWAQDQKTHE-MRXNPFEDSA-N -1 3 313.353 2.687 20 0 DFADHM O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1ccc(O)cc1[O-] ZINC000436534138 297010277 /nfs/dbraw/zinc/01/02/77/297010277.db2.gz KXLNWNASYUIGQH-ZDUSSCGKSA-N -1 3 305.374 2.710 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cc2c(cc1[O-])CCCC2 ZINC000436591745 297016004 /nfs/dbraw/zinc/01/60/04/297016004.db2.gz XYQZMQKDXPXXEZ-YXJHDRRASA-N -1 3 315.413 2.958 20 0 DFADHM COc1cccc(O[C@@H](C)CNC(=O)c2cc(C)ccc2[O-])c1 ZINC000436591594 297015865 /nfs/dbraw/zinc/01/58/65/297015865.db2.gz XBWIWJVCHKHSII-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM CC(C)(O)CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436550120 297011424 /nfs/dbraw/zinc/01/14/24/297011424.db2.gz WGUDJNGYRMTLRX-UHFFFAOYSA-N -1 3 313.397 2.874 20 0 DFADHM CN(C[C@@H]1CCCOC1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436551966 297011534 /nfs/dbraw/zinc/01/15/34/297011534.db2.gz APQIZCSEDAWENN-ZDUSSCGKSA-N -1 3 303.402 2.770 20 0 DFADHM COC(=O)C1(NC(=O)c2ccc(C(C)C)cc2[O-])CCCC1 ZINC000436550618 297011819 /nfs/dbraw/zinc/01/18/19/297011819.db2.gz XMSFRFWQNKMBRY-UHFFFAOYSA-N -1 3 305.374 2.731 20 0 DFADHM CC(C)c1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c([O-])c1 ZINC000436553480 297012141 /nfs/dbraw/zinc/01/21/41/297012141.db2.gz GWUPXJSEEJSQKL-OAHLLOKOSA-N -1 3 302.418 2.824 20 0 DFADHM Cc1nc([C@H]2CCCN2C(=O)c2ccc(C)c(C)c2[O-])no1 ZINC000436575466 297014366 /nfs/dbraw/zinc/01/43/66/297014366.db2.gz NAZNQNYPFIIOEO-CYBMUJFWSA-N -1 3 301.346 2.678 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2nc(C)ccc2OC)c1[O-] ZINC000436579060 297014390 /nfs/dbraw/zinc/01/43/90/297014390.db2.gz UAKIBXRMCZUOGC-UHFFFAOYSA-N -1 3 302.330 2.674 20 0 DFADHM COc1ccc(O[C@H](C)CNC(=O)c2cccc(C)c2[O-])cc1 ZINC000436576307 297014495 /nfs/dbraw/zinc/01/44/95/297014495.db2.gz QHDDLQVUFSDHKH-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM C[C@@H]1C[C@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)CCN1C ZINC000436583401 297014647 /nfs/dbraw/zinc/01/46/47/297014647.db2.gz KBBXNBNNECKTGW-PSASIEDQSA-N -1 3 317.216 2.912 20 0 DFADHM C[C@]1(CO)CCC[C@H]1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436581437 297014861 /nfs/dbraw/zinc/01/48/61/297014861.db2.gz FCUGGNPGHWMUMS-SJLPKXTDSA-N -1 3 303.402 2.552 20 0 DFADHM CC(C)c1ccc(C(=O)NC[C@@H](O)Cc2ccccc2)c([O-])c1 ZINC000436586364 297015388 /nfs/dbraw/zinc/01/53/88/297015388.db2.gz SXAZMYDFLNMBLW-INIZCTEOSA-N -1 3 313.397 2.849 20 0 DFADHM CCOC(=O)C[C@@](C)(NC(=O)c1cc(C)ccc1[O-])C(C)C ZINC000436586171 297015399 /nfs/dbraw/zinc/01/53/99/297015399.db2.gz VEWBUGTWLBLJKN-QGZVFWFLSA-N -1 3 307.390 2.798 20 0 DFADHM COCCN(C(=O)c1ccc(OC)cc1[O-])[C@@H]1CC[C@H](C)C1 ZINC000436598022 297016549 /nfs/dbraw/zinc/01/65/49/297016549.db2.gz XRBDDBGOJLNMQS-QWHCGFSZSA-N -1 3 307.390 2.678 20 0 DFADHM Cc1cccc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1[O-] ZINC000436599206 297016753 /nfs/dbraw/zinc/01/67/53/297016753.db2.gz DDJXTTGSGQBRJW-ZDUSSCGKSA-N -1 3 310.353 2.556 20 0 DFADHM COCCN(C(=O)c1cccc(OC)c1[O-])[C@@H]1CC[C@H](C)C1 ZINC000436595426 297016815 /nfs/dbraw/zinc/01/68/15/297016815.db2.gz METLJDRKCNNPQJ-QWHCGFSZSA-N -1 3 307.390 2.678 20 0 DFADHM COCCN(C[C@@H]1CC=CCC1)C(=O)c1cccc(OC)c1[O-] ZINC000436599834 297017341 /nfs/dbraw/zinc/01/73/41/297017341.db2.gz DNONTIZUJDJWCI-CQSZACIVSA-N -1 3 319.401 2.846 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3CC4(CCC4(F)F)C3)c([O-])c2O1 ZINC000436608752 297017728 /nfs/dbraw/zinc/01/77/28/297017728.db2.gz KMQFFXPRPKKDDZ-UHFFFAOYSA-N -1 3 323.339 2.977 20 0 DFADHM COC(=O)C[C@H](NC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000436608103 297017872 /nfs/dbraw/zinc/01/78/72/297017872.db2.gz OWISREVLOWUXQB-AWEZNQCLSA-N -1 3 317.316 2.566 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCc2cc(F)cc(F)c2)cc1[O-] ZINC000436625387 297019034 /nfs/dbraw/zinc/01/90/34/297019034.db2.gz OLIYAWXHPLLZIJ-UHFFFAOYSA-N -1 3 319.307 2.846 20 0 DFADHM COc1cc(C(=O)NC[C@H](OC)c2ccccc2)ccc1[O-] ZINC000436634513 297019520 /nfs/dbraw/zinc/01/95/20/297019520.db2.gz PIUWPANKSJWUBN-INIZCTEOSA-N -1 3 301.342 2.518 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436631537 297019820 /nfs/dbraw/zinc/01/98/20/297019820.db2.gz SQLSSOHOCKYSEZ-OCCSQVGLSA-N -1 3 319.401 2.651 20 0 DFADHM CCCC[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)OC(C)(C)C ZINC000436640808 297019945 /nfs/dbraw/zinc/01/99/45/297019945.db2.gz KBWMJCASAPDHTI-ZDUSSCGKSA-N -1 3 323.389 2.728 20 0 DFADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc([S@](C)=O)cc1 ZINC000436645663 297020343 /nfs/dbraw/zinc/02/03/43/297020343.db2.gz CIGPLYHUCHOPEE-MQJDWESPSA-N -1 3 303.383 2.621 20 0 DFADHM CC(C)(CNC(=O)c1c([O-])cccc1O)Oc1ccccc1 ZINC000436647358 297020821 /nfs/dbraw/zinc/02/08/21/297020821.db2.gz JEBBMTHEBYPECB-UHFFFAOYSA-N -1 3 301.342 2.685 20 0 DFADHM CCCCCn1cc(CNC(=O)c2c([O-])cccc2O)c(C)n1 ZINC000436648343 297020934 /nfs/dbraw/zinc/02/09/34/297020934.db2.gz PQYGNODGWMACSE-UHFFFAOYSA-N -1 3 317.389 2.723 20 0 DFADHM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1c([O-])cccc1O ZINC000436646138 297021105 /nfs/dbraw/zinc/02/11/05/297021105.db2.gz GHWJDYBYHPNFNX-LBPRGKRZSA-N -1 3 317.316 2.881 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2O)C1(CC)CC ZINC000436648752 297021535 /nfs/dbraw/zinc/02/15/35/297021535.db2.gz RLNZOPDQTDVKMK-UONOGXRCSA-N -1 3 307.390 2.811 20 0 DFADHM C[C@H](NC(=O)c1c([O-])cccc1O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000436650423 297021712 /nfs/dbraw/zinc/02/17/12/297021712.db2.gz ZXHIDUVQOWXKRZ-VGTOOOLASA-N -1 3 313.353 2.781 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@H](CO)CC(F)(F)F)c([O-])c1 ZINC000436709052 297026889 /nfs/dbraw/zinc/02/68/89/297026889.db2.gz UPYWDDQTECDTCP-JTQLQIEISA-N -1 3 305.296 2.559 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H](OC)C2CC2)c([O-])c1 ZINC000436661166 297022444 /nfs/dbraw/zinc/02/24/44/297022444.db2.gz XLYBDIZECZCUES-INIZCTEOSA-N -1 3 307.390 2.726 20 0 DFADHM Cc1ccc(C(=O)NCc2ccn(-c3ccccc3)n2)c([O-])c1 ZINC000436680399 297024463 /nfs/dbraw/zinc/02/44/63/297024463.db2.gz JLZJVVCOBAPCQO-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436684145 297024760 /nfs/dbraw/zinc/02/47/60/297024760.db2.gz YAJAAJKPJDSWEJ-NWDGAFQWSA-N -1 3 310.825 2.896 20 0 DFADHM CC[C@@H](CNC(=O)c1ccc(O)cc1[O-])Oc1cccc(F)c1 ZINC000436681494 297024764 /nfs/dbraw/zinc/02/47/64/297024764.db2.gz RUHUATSZHNUIPB-ZDUSSCGKSA-N -1 3 319.332 2.824 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)c([O-])c1 ZINC000436696089 297025826 /nfs/dbraw/zinc/02/58/26/297025826.db2.gz HQMBFQHQTLCXJS-HUUCEWRRSA-N -1 3 307.390 2.723 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2c3ccc(F)cc3O[C@@H]2C)c([O-])c1 ZINC000436745768 297031031 /nfs/dbraw/zinc/03/10/31/297031031.db2.gz VVSJZWPKHSEKTN-ABKXIKBNSA-N -1 3 317.316 2.792 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCN2CCCC[C@H]2C1 ZINC000436713059 297027348 /nfs/dbraw/zinc/02/73/48/297027348.db2.gz AAVUFVHMDIUTLL-INIZCTEOSA-N -1 3 314.429 2.581 20 0 DFADHM CC[C@H](C)N[C@@H](CNC(=O)c1cc(F)ccc1[O-])c1ccco1 ZINC000436712624 297027467 /nfs/dbraw/zinc/02/74/67/297027467.db2.gz GUUKBMYMPNOGFS-FZMZJTMJSA-N -1 3 320.364 2.984 20 0 DFADHM Cc1nc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])nn1C ZINC000436731383 297029551 /nfs/dbraw/zinc/02/95/51/297029551.db2.gz OOOMIOARKPALMP-UHFFFAOYSA-N -1 3 324.340 2.874 20 0 DFADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1nccn1-c1ccccc1 ZINC000436738269 297029965 /nfs/dbraw/zinc/02/99/65/297029965.db2.gz SGRSRKQUYUXJCV-GFCCVEGCSA-N -1 3 323.352 2.775 20 0 DFADHM O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000436738191 297030106 /nfs/dbraw/zinc/03/01/06/297030106.db2.gz KXGPYXGINJVEAF-AWEZNQCLSA-N -1 3 305.761 2.899 20 0 DFADHM COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(C)c1[O-])CCO2 ZINC000436735331 297030114 /nfs/dbraw/zinc/03/01/14/297030114.db2.gz DYDAQRHMFQPNSV-HNNXBMFYSA-N -1 3 313.353 2.963 20 0 DFADHM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436741555 297030557 /nfs/dbraw/zinc/03/05/57/297030557.db2.gz CLGUGIHGOACYPV-QFYYESIMSA-N -1 3 319.332 2.743 20 0 DFADHM Cc1ccc(C(=O)NCCOc2ccc(F)cc2)c([O-])c1C ZINC000436768607 297032966 /nfs/dbraw/zinc/03/29/66/297032966.db2.gz JICARZIDFCWIOF-UHFFFAOYSA-N -1 3 303.333 2.957 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](C)COCC(F)(F)F)c([O-])c1 ZINC000436825552 297037509 /nfs/dbraw/zinc/03/75/09/297037509.db2.gz DDIOASNSXSUYCO-VIFPVBQESA-N -1 3 305.296 2.652 20 0 DFADHM COc1cnc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])nc1 ZINC000436778887 297033818 /nfs/dbraw/zinc/03/38/18/297033818.db2.gz SJEWQEVOAYMRJG-UHFFFAOYSA-N -1 3 301.346 2.741 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCC[C@H]2C)c1 ZINC000436788175 297034299 /nfs/dbraw/zinc/03/42/99/297034299.db2.gz UUDZEWYQWUEEQA-YPMHNXCESA-N -1 3 304.390 2.907 20 0 DFADHM COCCOc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000436787692 297034537 /nfs/dbraw/zinc/03/45/37/297034537.db2.gz QBEZBUUAQJNORY-UHFFFAOYSA-N -1 3 317.341 2.678 20 0 DFADHM C[C@@H](CN(C)C)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436793203 297034788 /nfs/dbraw/zinc/03/47/88/297034788.db2.gz QHQPQGIXVVRBMO-JTQLQIEISA-N -1 3 306.793 2.879 20 0 DFADHM Cc1ccc(C(=O)N(CCO)Cc2cccc(F)c2)c([O-])c1C ZINC000436820553 297036983 /nfs/dbraw/zinc/03/69/83/297036983.db2.gz RXTYQSSNFDCLPG-UHFFFAOYSA-N -1 3 317.360 2.783 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](CO)Cc2cccc(C)c2)c([O-])c1 ZINC000436822472 297037143 /nfs/dbraw/zinc/03/71/43/297037143.db2.gz UPLYHUWYAKWCBL-MRXNPFEDSA-N -1 3 313.397 2.596 20 0 DFADHM Cc1cccc(C[C@@H](CO)NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436819708 297037230 /nfs/dbraw/zinc/03/72/30/297037230.db2.gz IXBTXMDTLTXMQK-INIZCTEOSA-N -1 3 313.397 2.651 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@H](CCO)c2ccco2)c([O-])c1 ZINC000436823762 297037684 /nfs/dbraw/zinc/03/76/84/297037684.db2.gz XAHMZJDWTVXCNI-CQSZACIVSA-N -1 3 303.358 2.962 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@H]([C@H]3CCOC3)C2)c([O-])c1 ZINC000436829995 297038045 /nfs/dbraw/zinc/03/80/45/297038045.db2.gz CARWELHAVFLCCB-GJZGRUSLSA-N -1 3 303.402 2.843 20 0 DFADHM CCCN(CC(N)=O)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436830933 297038230 /nfs/dbraw/zinc/03/82/30/297038230.db2.gz OQSFTSLQLYIJKI-UHFFFAOYSA-N -1 3 320.433 2.977 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)c([O-])c1 ZINC000436833062 297038300 /nfs/dbraw/zinc/03/83/00/297038300.db2.gz KURRBQIHWJBVIJ-GOSISDBHSA-N -1 3 303.402 2.987 20 0 DFADHM COc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436831703 297038641 /nfs/dbraw/zinc/03/86/41/297038641.db2.gz YLQXSYLYCCSCAQ-GZMMTYOYSA-N -1 3 303.280 2.814 20 0 DFADHM COC(=O)C[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1ccccc1 ZINC000436904878 297043468 /nfs/dbraw/zinc/04/34/68/297043468.db2.gz QUYLQGJLGWVNHZ-OAHLLOKOSA-N -1 3 313.353 2.735 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](CO)c2c(F)cccc2F)c([O-])c1 ZINC000436836349 297038853 /nfs/dbraw/zinc/03/88/53/297038853.db2.gz DARJVROQFYJBSD-AWEZNQCLSA-N -1 3 321.323 2.696 20 0 DFADHM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436840407 297039368 /nfs/dbraw/zinc/03/93/68/297039368.db2.gz QOSXLMKUNXKUIS-RYUDHWBXSA-N -1 3 307.390 2.833 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](CO)CC2CCC2)c([O-])c1 ZINC000436840261 297039453 /nfs/dbraw/zinc/03/94/53/297039453.db2.gz PAMGQLZZOBVUCL-AWEZNQCLSA-N -1 3 321.417 2.852 20 0 DFADHM Cc1ccc(C2CCN(C(=O)c3c([O-])cccc3O)CC2)cn1 ZINC000436844263 297039792 /nfs/dbraw/zinc/03/97/92/297039792.db2.gz MLRMSOIAXOMBKM-UHFFFAOYSA-N -1 3 312.369 2.821 20 0 DFADHM COC(=O)C(C)(C)CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436849075 297039872 /nfs/dbraw/zinc/03/98/72/297039872.db2.gz REJQODQCWXBTSV-UHFFFAOYSA-N -1 3 307.390 2.835 20 0 DFADHM COc1ccc(C(=O)NCC2(C)CCC(OC)CC2)c([O-])c1 ZINC000436856347 297040107 /nfs/dbraw/zinc/04/01/07/297040107.db2.gz XMQRGCXYTLYJGD-UHFFFAOYSA-N -1 3 307.390 2.726 20 0 DFADHM COc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1NC(C)=O ZINC000436902568 297043524 /nfs/dbraw/zinc/04/35/24/297043524.db2.gz QKQFTFFQACVGTR-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1[O-] ZINC000436902805 297043532 /nfs/dbraw/zinc/04/35/32/297043532.db2.gz KQVHHYXPILQIQA-ZDUSSCGKSA-N -1 3 322.368 2.772 20 0 DFADHM C[C@H](CO)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436874615 297041233 /nfs/dbraw/zinc/04/12/33/297041233.db2.gz ANJXJFYSCPYKPQ-AWEZNQCLSA-N -1 3 313.397 2.536 20 0 DFADHM COc1cccc2c1nc(NC(=O)c1cccc(C)c1[O-])n2C ZINC000436874415 297041374 /nfs/dbraw/zinc/04/13/74/297041374.db2.gz QEHSFWKURJJCMO-UHFFFAOYSA-N -1 3 311.341 2.848 20 0 DFADHM O=C(N[C@@H]1Cc2cccc(O)c2C1)c1ccc2c(c1[O-])CCCC2 ZINC000436878260 297041469 /nfs/dbraw/zinc/04/14/69/297041469.db2.gz FADXSBGDCMQFSZ-CQSZACIVSA-N -1 3 323.392 2.874 20 0 DFADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)[C@H]1CCCCO1 ZINC000436881907 297041528 /nfs/dbraw/zinc/04/15/28/297041528.db2.gz VRZWNNCPRWEBOE-SJKOYZFVSA-N -1 3 303.402 2.958 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)[C@H](O)Cc2ccccc2)c([O-])c1C ZINC000436896761 297042951 /nfs/dbraw/zinc/04/29/51/297042951.db2.gz UEMVNMMCZHIXGG-RHSMWYFYSA-N -1 3 313.397 2.731 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)c([O-])c1C ZINC000436896763 297043061 /nfs/dbraw/zinc/04/30/61/297043061.db2.gz UEMVNMMCZHIXGG-YOEHRIQHSA-N -1 3 313.397 2.731 20 0 DFADHM Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)ccc1[O-] ZINC000436898907 297043081 /nfs/dbraw/zinc/04/30/81/297043081.db2.gz BBXJTIMAVHRHRR-SNVBAGLBSA-N -1 3 312.325 2.672 20 0 DFADHM O=C(N[C@H]1CCCOc2c(F)cccc21)c1c([O-])cccc1O ZINC000436908180 297043815 /nfs/dbraw/zinc/04/38/15/297043815.db2.gz UOEFSAWSXPKAPF-LBPRGKRZSA-N -1 3 317.316 2.881 20 0 DFADHM CCCCOc1ccc(C(=O)N2CC(OC(F)F)C2)c([O-])c1 ZINC000436981210 297049751 /nfs/dbraw/zinc/04/97/51/297049751.db2.gz PZTJGBBKBOQEHV-UHFFFAOYSA-N -1 3 315.316 2.635 20 0 DFADHM CC[C@H](C)c1ncc(NC(=O)c2cccc(OC)c2[O-])cn1 ZINC000436917602 297044462 /nfs/dbraw/zinc/04/44/62/297044462.db2.gz BXLHRAQBWKRLIH-JTQLQIEISA-N -1 3 301.346 2.957 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3CC[C@@H](C4CC4)C3)c([O-])c2O1 ZINC000436917671 297044560 /nfs/dbraw/zinc/04/45/60/297044560.db2.gz XSYIJCJEWNUTJK-CYBMUJFWSA-N -1 3 301.386 2.978 20 0 DFADHM CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436920487 297044956 /nfs/dbraw/zinc/04/49/56/297044956.db2.gz POTCARIBNHNMRJ-LLVKDONJSA-N -1 3 301.342 2.988 20 0 DFADHM COc1ccc(C(=O)NCCC2CCC(OC)CC2)c([O-])c1 ZINC000436943034 297046651 /nfs/dbraw/zinc/04/66/51/297046651.db2.gz XNZBYZPOHVHJOP-UHFFFAOYSA-N -1 3 307.390 2.726 20 0 DFADHM O=C(NCc1cn2ccccc2n1)c1ccc2c(c1[O-])CCCC2 ZINC000436947686 297047313 /nfs/dbraw/zinc/04/73/13/297047313.db2.gz RSQMMYMYTSNMNB-UHFFFAOYSA-N -1 3 321.380 2.849 20 0 DFADHM CN(C)CCOc1cccc(NC(=O)c2c([O-])cccc2F)c1 ZINC000436951231 297047396 /nfs/dbraw/zinc/04/73/96/297047396.db2.gz XRFSEMISJJZQIH-UHFFFAOYSA-N -1 3 318.348 2.724 20 0 DFADHM COC1(CCNC(=O)c2ccc3c(c2[O-])CCCC3)CCC1 ZINC000436955426 297047571 /nfs/dbraw/zinc/04/75/71/297047571.db2.gz FRTJQLVFCWUBNX-UHFFFAOYSA-N -1 3 303.402 2.960 20 0 DFADHM C[C@H](CNC(=O)c1ccc2c(c1[O-])CCCC2)Cn1cccn1 ZINC000436955047 297047591 /nfs/dbraw/zinc/04/75/91/297047591.db2.gz CREPWPDLXSPDQN-CYBMUJFWSA-N -1 3 313.401 2.534 20 0 DFADHM COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436963491 297048055 /nfs/dbraw/zinc/04/80/55/297048055.db2.gz PUSBLQSXFYATGM-DOMZBBRYSA-N -1 3 319.401 2.929 20 0 DFADHM O=C(Nc1nnc2ccccn21)c1ccc2c(c1[O-])CCCC2 ZINC000436961409 297048132 /nfs/dbraw/zinc/04/81/32/297048132.db2.gz TXUSVLNWZVQLGU-UHFFFAOYSA-N -1 3 308.341 2.566 20 0 DFADHM COc1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1O ZINC000436964631 297048147 /nfs/dbraw/zinc/04/81/47/297048147.db2.gz MOKPEZJEEBPDTQ-UHFFFAOYSA-N -1 3 303.314 2.676 20 0 DFADHM COC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2[O-])nc1C ZINC000436959024 297048207 /nfs/dbraw/zinc/04/82/07/297048207.db2.gz LCNHWUJZZLVXOV-UHFFFAOYSA-N -1 3 320.370 2.813 20 0 DFADHM CCCCOc1ccc(C(=O)N(C)CCCC(=O)OC)c([O-])c1 ZINC000436972505 297049025 /nfs/dbraw/zinc/04/90/25/297049025.db2.gz PBAUWBFVTHVXPG-UHFFFAOYSA-N -1 3 323.389 2.596 20 0 DFADHM C[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)[C@@H]1CCCCO1 ZINC000436981587 297049788 /nfs/dbraw/zinc/04/97/88/297049788.db2.gz VFMZYZWMHGYVKN-LRDDRELGSA-N -1 3 303.402 2.958 20 0 DFADHM C[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)[C@H]1CCCCO1 ZINC000436981585 297049862 /nfs/dbraw/zinc/04/98/62/297049862.db2.gz VFMZYZWMHGYVKN-BLLLJJGKSA-N -1 3 303.402 2.958 20 0 DFADHM CCCCOc1ccc(C(=O)NCC2(OC)CCC2)c([O-])c1 ZINC000436984272 297050373 /nfs/dbraw/zinc/05/03/73/297050373.db2.gz DWAKWQWMYQQOJF-UHFFFAOYSA-N -1 3 307.390 2.870 20 0 DFADHM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([O-])c(C)c1 ZINC000436989059 297050743 /nfs/dbraw/zinc/05/07/43/297050743.db2.gz LLZPPMZLXWXLNV-UHFFFAOYSA-N -1 3 307.390 2.895 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cnc(CC(C)C)nc2)c1[O-] ZINC000437000489 297051769 /nfs/dbraw/zinc/05/17/69/297051769.db2.gz MKTQEZKPZJNGFL-UHFFFAOYSA-N -1 3 315.373 2.950 20 0 DFADHM Cc1cccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c1[O-] ZINC000436997348 297051824 /nfs/dbraw/zinc/05/18/24/297051824.db2.gz IJTCFZZMQKTZAJ-ZBFHGGJFSA-N -1 3 315.344 2.788 20 0 DFADHM CC(C)[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(C)(C)O ZINC000437000566 297052255 /nfs/dbraw/zinc/05/22/55/297052255.db2.gz IOJGUTIBMOARHN-HNNXBMFYSA-N -1 3 321.417 2.631 20 0 DFADHM COc1cccc(C(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)c1[O-] ZINC000437002518 297052359 /nfs/dbraw/zinc/05/23/59/297052359.db2.gz YLMOTDZISOKPNK-HNNXBMFYSA-N -1 3 317.389 2.652 20 0 DFADHM CCO[N-]C(=O)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC000494141218 299859264 /nfs/dbraw/zinc/85/92/64/299859264.db2.gz IEILCRBNFPNBSW-IAQYHMDHSA-N -1 3 300.399 2.528 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000321018332 295165059 /nfs/dbraw/zinc/16/50/59/295165059.db2.gz UJEHIDOOUDSYDL-FVQBIDKESA-N -1 3 319.401 2.557 20 0 DFADHM CCCC1(C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000495293079 299917327 /nfs/dbraw/zinc/91/73/27/299917327.db2.gz YGZKQSSZCPESPS-NSHDSACASA-N -1 3 300.399 2.528 20 0 DFADHM COc1cccc(C(=O)N2CCOC[C@H]2c2ccccc2)c1[O-] ZINC000374132728 295285539 /nfs/dbraw/zinc/28/55/39/295285539.db2.gz VWLMLKLGYDYHEA-HNNXBMFYSA-N -1 3 313.353 2.615 20 0 DFADHM CCNC(=O)CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000154083155 295291862 /nfs/dbraw/zinc/29/18/62/295291862.db2.gz LFTCMIMNPKTXRR-UHFFFAOYSA-N -1 3 306.406 2.505 20 0 DFADHM CC[C@@H](C)c1ccc(C(=O)Cn2cc(Cl)c(=O)[n-]c2=O)cc1 ZINC000154386622 295298934 /nfs/dbraw/zinc/29/89/34/295298934.db2.gz NVBRZJFSCFCWOZ-SNVBAGLBSA-N -1 3 320.776 2.586 20 0 DFADHM CN(C)[C@@H](CNC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000154754304 295305940 /nfs/dbraw/zinc/30/59/40/295305940.db2.gz CWWVIXXDKPDBFQ-INIZCTEOSA-N -1 3 302.349 2.564 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3C[C@H]4CCC[C@@H]4C3)c([O-])c2O1 ZINC000155182619 295314145 /nfs/dbraw/zinc/31/41/45/295314145.db2.gz IVRHSZNZPSSEIS-CHWSQXEVSA-N -1 3 301.386 2.978 20 0 DFADHM Cc1ncc(Cl)c(C(=O)[N-]c2nnc(C(C)(C)C)s2)n1 ZINC000155281495 295316161 /nfs/dbraw/zinc/31/61/61/295316161.db2.gz VHOSWZPLBSNLIQ-UHFFFAOYSA-N -1 3 311.798 2.840 20 0 DFADHM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1[O-] ZINC000155496594 295319541 /nfs/dbraw/zinc/31/95/41/295319541.db2.gz VPZOWVWRLFYOIQ-SNVBAGLBSA-N -1 3 312.341 2.773 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C ZINC000155924674 295328388 /nfs/dbraw/zinc/32/83/88/295328388.db2.gz 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297315805 /nfs/dbraw/zinc/31/58/05/297315805.db2.gz LEZALEBAOVPYIH-GOEBONIOSA-N -1 3 322.339 2.953 20 0 DFADHM COc1cc(C(=O)N2CCOc3c(F)cccc3C2)ccc1[O-] ZINC000447865002 297322100 /nfs/dbraw/zinc/32/21/00/297322100.db2.gz UWQNHJKADGXQDN-UHFFFAOYSA-N -1 3 317.316 2.575 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCOc3ccc(F)cc3C2)n1 ZINC000447882992 297323005 /nfs/dbraw/zinc/32/30/05/297323005.db2.gz RCEWGQAQIDIRQI-LLVKDONJSA-N -1 3 303.337 2.585 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(N2CCCC2)nc1 ZINC000448635482 297351262 /nfs/dbraw/zinc/35/12/62/297351262.db2.gz ZQMILFXTFOFHRF-UHFFFAOYSA-N -1 3 315.348 2.708 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(N2CCCC2)cn1 ZINC000448683926 297356650 /nfs/dbraw/zinc/35/66/50/297356650.db2.gz DPHADKDOXNJFKX-UHFFFAOYSA-N -1 3 315.348 2.708 20 0 DFADHM CC(F)(F)c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cn1 ZINC000448770553 297365791 /nfs/dbraw/zinc/36/57/91/297365791.db2.gz KXBDITCDZGFJPT-UHFFFAOYSA-N -1 3 321.209 2.583 20 0 DFADHM CC(F)(F)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cn1 ZINC000448770553 297365792 /nfs/dbraw/zinc/36/57/92/297365792.db2.gz KXBDITCDZGFJPT-UHFFFAOYSA-N -1 3 321.209 2.583 20 0 DFADHM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000448859263 297376228 /nfs/dbraw/zinc/37/62/28/297376228.db2.gz XOPQNDAEYOXFQK-MRVPVSSYSA-N -1 3 313.283 2.784 20 0 DFADHM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000448859263 297376229 /nfs/dbraw/zinc/37/62/29/297376229.db2.gz XOPQNDAEYOXFQK-MRVPVSSYSA-N -1 3 313.283 2.784 20 0 DFADHM Cc1csc(CCCCNC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC000448877571 297378160 /nfs/dbraw/zinc/37/81/60/297378160.db2.gz HPUSXRIADPQVLZ-UHFFFAOYSA-N -1 3 322.405 2.978 20 0 DFADHM COc1cccc(CCCNC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448887906 297379136 /nfs/dbraw/zinc/37/91/36/297379136.db2.gz YOBPEJOGUVHDDN-UHFFFAOYSA-N -1 3 317.360 2.831 20 0 DFADHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448893526 297379761 /nfs/dbraw/zinc/37/97/61/297379761.db2.gz CWFOCEGXYPOVDF-HNNXBMFYSA-N 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Cc1ccc(C[C@H](C)NC(=O)c2cccc3[n-]nnc32)c(C)c1 ZINC000183591870 316148344 /nfs/dbraw/zinc/14/83/44/316148344.db2.gz OTBCUXMALMABRF-ZDUSSCGKSA-N -1 3 308.385 2.936 20 0 DFADHM Cc1ccc(C[C@H](C)NC(=O)c2cccc3n[n-]nc32)c(C)c1 ZINC000183591870 316148347 /nfs/dbraw/zinc/14/83/47/316148347.db2.gz OTBCUXMALMABRF-ZDUSSCGKSA-N -1 3 308.385 2.936 20 0 DFADHM COc1cc(C(=O)[N-]c2cc(F)ccc2Br)on1 ZINC000184047821 316157783 /nfs/dbraw/zinc/15/77/83/316157783.db2.gz RJIGSDBJPJARCM-UHFFFAOYSA-N -1 3 315.098 2.837 20 0 DFADHM C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1nccs1 ZINC000186015086 316195566 /nfs/dbraw/zinc/19/55/66/316195566.db2.gz SVIQSMXGAAFUKY-SNVBAGLBSA-N -1 3 313.382 2.518 20 0 DFADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)nc(C(F)(F)F)n1 ZINC000187398256 316208575 /nfs/dbraw/zinc/20/85/75/316208575.db2.gz ICUAXSRWKVQQER-UHFFFAOYSA-N -1 3 315.226 2.901 20 0 DFADHM CCn1ncc2ccc(NC(=O)c3cccc4nn[n-]c43)cc21 ZINC000187594478 316211624 /nfs/dbraw/zinc/21/16/24/316211624.db2.gz NFXOHASQPUFSCC-UHFFFAOYSA-N -1 3 306.329 2.580 20 0 DFADHM CCn1ncc2ccc(NC(=O)c3cccc4[n-]nnc43)cc21 ZINC000187594478 316211628 /nfs/dbraw/zinc/21/16/28/316211628.db2.gz NFXOHASQPUFSCC-UHFFFAOYSA-N -1 3 306.329 2.580 20 0 DFADHM CCn1ncc2ccc(NC(=O)c3cccc4n[n-]nc43)cc21 ZINC000187594478 316211632 /nfs/dbraw/zinc/21/16/32/316211632.db2.gz NFXOHASQPUFSCC-UHFFFAOYSA-N -1 3 306.329 2.580 20 0 DFADHM COc1ccccc1[C@H]1CCCN1C(=O)c1cccc2[n-]nnc21 ZINC000187733258 316214304 /nfs/dbraw/zinc/21/43/04/316214304.db2.gz PNKHYZUBOPLNAI-OAHLLOKOSA-N -1 3 322.368 2.944 20 0 DFADHM COc1ccccc1[C@H]1CCCN1C(=O)c1cccc2nn[n-]c21 ZINC000187733258 316214305 /nfs/dbraw/zinc/21/43/05/316214305.db2.gz PNKHYZUBOPLNAI-OAHLLOKOSA-N -1 3 322.368 2.944 20 0 DFADHM COc1ccccc1[C@H]1CCCN1C(=O)c1cccc2n[n-]nc21 ZINC000187733258 316214306 /nfs/dbraw/zinc/21/43/06/316214306.db2.gz PNKHYZUBOPLNAI-OAHLLOKOSA-N -1 3 322.368 2.944 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc2[n-]nnc21 ZINC000188013210 316215803 /nfs/dbraw/zinc/21/58/03/316215803.db2.gz NYBVZICOSXLEGW-OCCSQVGLSA-N -1 3 306.369 2.976 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc2nn[n-]c21 ZINC000188013210 316215807 /nfs/dbraw/zinc/21/58/07/316215807.db2.gz NYBVZICOSXLEGW-OCCSQVGLSA-N -1 3 306.369 2.976 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc2n[n-]nc21 ZINC000188013210 316215811 /nfs/dbraw/zinc/21/58/11/316215811.db2.gz NYBVZICOSXLEGW-OCCSQVGLSA-N -1 3 306.369 2.976 20 0 DFADHM C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc3nn[n-]c32)C1 ZINC000188158421 316218376 /nfs/dbraw/zinc/21/83/76/316218376.db2.gz VKNZOCNYCCTGIC-LBPRGKRZSA-N -1 3 321.384 2.691 20 0 DFADHM C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc3[n-]nnc32)C1 ZINC000188158421 316218377 /nfs/dbraw/zinc/21/83/77/316218377.db2.gz VKNZOCNYCCTGIC-LBPRGKRZSA-N -1 3 321.384 2.691 20 0 DFADHM C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc3n[n-]nc32)C1 ZINC000188158421 316218380 /nfs/dbraw/zinc/21/83/80/316218380.db2.gz VKNZOCNYCCTGIC-LBPRGKRZSA-N -1 3 321.384 2.691 20 0 DFADHM O=C(Nc1cccc(OCCF)c1)c1cccc2nn[n-]c21 ZINC000188395058 316221000 /nfs/dbraw/zinc/22/10/00/316221000.db2.gz OPYHQQOTEUYJAS-UHFFFAOYSA-N -1 3 300.293 2.559 20 0 DFADHM O=C(Nc1cccc(OCCF)c1)c1cccc2[n-]nnc21 ZINC000188395058 316221003 /nfs/dbraw/zinc/22/10/03/316221003.db2.gz OPYHQQOTEUYJAS-UHFFFAOYSA-N -1 3 300.293 2.559 20 0 DFADHM O=C(Nc1cccc(OCCF)c1)c1cccc2n[n-]nc21 ZINC000188395058 316221006 /nfs/dbraw/zinc/22/10/06/316221006.db2.gz OPYHQQOTEUYJAS-UHFFFAOYSA-N -1 3 300.293 2.559 20 0 DFADHM CC1(C)C[C@H](NC(=O)c2cccc3nn[n-]c32)c2ccccc2O1 ZINC000188424809 316221642 /nfs/dbraw/zinc/22/16/42/316221642.db2.gz JVMNLQIAGXJOPU-AWEZNQCLSA-N -1 3 322.368 2.990 20 0 DFADHM CC1(C)C[C@H](NC(=O)c2cccc3[n-]nnc32)c2ccccc2O1 ZINC000188424809 316221647 /nfs/dbraw/zinc/22/16/47/316221647.db2.gz JVMNLQIAGXJOPU-AWEZNQCLSA-N -1 3 322.368 2.990 20 0 DFADHM CC1(C)C[C@H](NC(=O)c2cccc3n[n-]nc32)c2ccccc2O1 ZINC000188424809 316221651 /nfs/dbraw/zinc/22/16/51/316221651.db2.gz JVMNLQIAGXJOPU-AWEZNQCLSA-N -1 3 322.368 2.990 20 0 DFADHM CCc1ccc(C(=O)NCc2ccc(O)c(OC)c2)c([O-])c1 ZINC000188443989 316222106 /nfs/dbraw/zinc/22/21/06/316222106.db2.gz XMIUIUIPBFFARL-UHFFFAOYSA-N -1 3 301.342 2.599 20 0 DFADHM O=C(NCC1(Cc2ccccc2)CC1)c1cccc2nn[n-]c21 ZINC000188588817 316223613 /nfs/dbraw/zinc/22/36/13/316223613.db2.gz SZLVQOOGUBJSEY-UHFFFAOYSA-N -1 3 306.369 2.711 20 0 DFADHM O=C(NCC1(Cc2ccccc2)CC1)c1cccc2[n-]nnc21 ZINC000188588817 316223618 /nfs/dbraw/zinc/22/36/18/316223618.db2.gz SZLVQOOGUBJSEY-UHFFFAOYSA-N -1 3 306.369 2.711 20 0 DFADHM O=C(NCC1(Cc2ccccc2)CC1)c1cccc2n[n-]nc21 ZINC000188588817 316223622 /nfs/dbraw/zinc/22/36/22/316223622.db2.gz SZLVQOOGUBJSEY-UHFFFAOYSA-N -1 3 306.369 2.711 20 0 DFADHM CN(C)[C@H](c1nc(-c2ccc3n[n-]nc3c2)no1)c1ccccc1 ZINC000350487032 316392611 /nfs/dbraw/zinc/39/26/11/316392611.db2.gz OOKAELWQVOPEQV-HNNXBMFYSA-N -1 3 320.356 2.659 20 0 DFADHM c1ccc2c(c1)C[C@H](c1nc(-c3ccc4n[n-]nc4c3)no1)CO2 ZINC000350512306 316395474 /nfs/dbraw/zinc/39/54/74/316395474.db2.gz HCQJAJNEUNSHHM-LBPRGKRZSA-N -1 3 319.324 2.727 20 0 DFADHM Cn1nccc1Cc1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000350563977 316402423 /nfs/dbraw/zinc/40/24/23/316402423.db2.gz DNEKVQNCWFUVII-UHFFFAOYSA-N -1 3 310.357 2.645 20 0 DFADHM COc1cc(C)cc(-c2nc(Cc3cncs3)no2)c1[O-] ZINC000350575160 316405753 /nfs/dbraw/zinc/40/57/53/316405753.db2.gz HSWBZJQSLWNZRV-UHFFFAOYSA-N -1 3 303.343 2.807 20 0 DFADHM CCOc1cc(-c2noc([C@@H]3CCC[C@H](O)C3)n2)ccc1[O-] ZINC000350601266 316411717 /nfs/dbraw/zinc/41/17/17/316411717.db2.gz FDDYJEFLQUSOMC-NEPJUHHUSA-N -1 3 304.346 2.859 20 0 DFADHM CCc1cccc(-c2nc(-c3cnc4cnccn43)no2)c1[O-] ZINC000350848999 316433366 /nfs/dbraw/zinc/43/33/66/316433366.db2.gz RDZNTYPNVLEPCA-UHFFFAOYSA-N -1 3 307.313 2.714 20 0 DFADHM O=c1cc(-c2noc(-c3ccccc3OCC3CC3)n2)nc[n-]1 ZINC000351381073 316517365 /nfs/dbraw/zinc/51/73/65/316517365.db2.gz YEBRTEQAPPTHQC-UHFFFAOYSA-N -1 3 310.313 2.688 20 0 DFADHM O=S(=O)([N-]C1CCC2(CC2)CC1)c1cc(F)cc(F)c1 ZINC000434780616 316914172 /nfs/dbraw/zinc/91/41/72/316914172.db2.gz YZDDRXZETCIJGA-UHFFFAOYSA-N -1 3 301.358 2.966 20 0 DFADHM CC(C)[C@H]([N-]S(=O)(=O)CC(C)(C)C)c1nc(C2CC2)no1 ZINC000442956406 316949354 /nfs/dbraw/zinc/94/93/54/316949354.db2.gz OJFXMZICWUNQGW-NSHDSACASA-N -1 3 315.439 2.610 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccco1 ZINC000445717147 316992114 /nfs/dbraw/zinc/99/21/14/316992114.db2.gz ZZLUXBYNYIIRTB-KWQFWETISA-N -1 3 315.753 2.907 20 0 DFADHM O=S(=O)([N-][C@H]1CCCOc2ccc(F)cc21)c1ccco1 ZINC000445737147 316992898 /nfs/dbraw/zinc/99/28/98/316992898.db2.gz ZOKBVJWKXWUUFB-LBPRGKRZSA-N -1 3 311.334 2.611 20 0 DFADHM COc1nnc(NC(=O)c2sc3ccc(C)cc3c2C)[n-]1 ZINC000446298121 317009862 /nfs/dbraw/zinc/00/98/62/317009862.db2.gz SADLKYQAGZAVKI-UHFFFAOYSA-N -1 3 302.359 2.897 20 0 DFADHM COc1nc(NC(=O)c2sc3ccc(C)cc3c2C)n[n-]1 ZINC000446298121 317009865 /nfs/dbraw/zinc/00/98/65/317009865.db2.gz SADLKYQAGZAVKI-UHFFFAOYSA-N -1 3 302.359 2.897 20 0 DFADHM COc1n[n-]c(NC(=O)c2sc3ccc(C)cc3c2C)n1 ZINC000446298121 317009868 /nfs/dbraw/zinc/00/98/68/317009868.db2.gz SADLKYQAGZAVKI-UHFFFAOYSA-N -1 3 302.359 2.897 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000448898251 317025531 /nfs/dbraw/zinc/02/55/31/317025531.db2.gz IREISBXISYJIBD-LBPRGKRZSA-N -1 3 320.389 2.937 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000448902130 317026221 /nfs/dbraw/zinc/02/62/21/317026221.db2.gz TWKSHYSOMYRRHB-HNNXBMFYSA-N -1 3 314.360 2.787 20 0 DFADHM C[C@H](O)CN(Cc1cc([O-])cc(C(F)(F)F)c1)CC(F)F ZINC000449629897 317046253 /nfs/dbraw/zinc/04/62/53/317046253.db2.gz GUXAZOXRJRFKKX-QMMMGPOBSA-N -1 3 313.266 2.859 20 0 DFADHM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000450058204 317056906 /nfs/dbraw/zinc/05/69/06/317056906.db2.gz QIQAPMDLSKEJKX-GUYCJALGSA-N -1 3 309.381 2.641 20 0 DFADHM CC(C)CCO[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000450066138 317057576 /nfs/dbraw/zinc/05/75/76/317057576.db2.gz FCGHPOLJGOYDBC-CQSZACIVSA-N -1 3 309.381 2.737 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000450102827 317061142 /nfs/dbraw/zinc/06/11/42/317061142.db2.gz SCCTYXKDPHMYJY-OAHLLOKOSA-N -1 3 321.373 2.735 20 0 DFADHM CCOCCC1(CNC(=O)Cc2ccc([O-])c(F)c2)CCC1 ZINC000450146798 317062818 /nfs/dbraw/zinc/06/28/18/317062818.db2.gz LWYAFGPBPPEQCN-UHFFFAOYSA-N -1 3 309.381 2.787 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)NCCC[C@H]1CCCC[C@H]1O ZINC000450174828 317066052 /nfs/dbraw/zinc/06/60/52/317066052.db2.gz USVVPULWPJVMIT-UKRRQHHQSA-N -1 3 309.381 2.521 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])N(CCO)CC1CC1 ZINC000450264330 317077626 /nfs/dbraw/zinc/07/76/26/317077626.db2.gz ZHJXIIMZJVVRDZ-UHFFFAOYSA-N -1 3 313.397 2.709 20 0 DFADHM CO[C@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C[C@H]1C ZINC000452901338 317144072 /nfs/dbraw/zinc/14/40/72/317144072.db2.gz WDOAKMSQVSYRFT-RISCZKNCSA-N -1 3 319.401 2.603 20 0 DFADHM Cc1ccc(C[C@H](CO)NCc2c(F)ccc([O-])c2F)cc1C ZINC000453631346 317195325 /nfs/dbraw/zinc/19/53/25/317195325.db2.gz OWITTXCIPPBHHP-CQSZACIVSA-N -1 3 321.367 2.980 20 0 DFADHM CN(C)CCN(Cc1ccsc1)C(=O)c1cc(F)ccc1[O-] ZINC000458225128 317267703 /nfs/dbraw/zinc/26/77/03/317267703.db2.gz OTOHTORZMSUMFA-UHFFFAOYSA-N -1 3 322.405 2.797 20 0 DFADHM CCC1(O)CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459382012 317325095 /nfs/dbraw/zinc/32/50/95/317325095.db2.gz VWWMJGBVVZLKOW-UHFFFAOYSA-N -1 3 314.223 2.892 20 0 DFADHM CC1(C)CN(Cc2cccc([O-])c2Br)CC[C@@H]1O ZINC000459505651 317326921 /nfs/dbraw/zinc/32/69/21/317326921.db2.gz HOIUUDLKHMVGHP-LBPRGKRZSA-N -1 3 314.223 2.748 20 0 DFADHM O=C(NCc1csc(-c2ccccc2)n1)c1csc(=O)[n-]1 ZINC000471632860 317335854 /nfs/dbraw/zinc/33/58/54/317335854.db2.gz HTMMJWMNZRSGAU-UHFFFAOYSA-N -1 3 317.395 2.902 20 0 DFADHM C[C@@](O)(C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C1CCC1 ZINC000487385918 317343275 /nfs/dbraw/zinc/34/32/75/317343275.db2.gz AQEHEFHAOIMWJO-ZDUSSCGKSA-N -1 3 319.279 2.780 20 0 DFADHM CCc1cc(C(=O)NCC[C@H](OC)C(F)(F)F)ccc1[O-] ZINC000487428777 317345359 /nfs/dbraw/zinc/34/53/59/317345359.db2.gz LMNMSGVPRJTHDO-LBPRGKRZSA-N -1 3 305.296 2.652 20 0 DFADHM CCc1cc(C(=O)N[C@H](CO)Cc2ccccc2C)ccc1[O-] ZINC000487440139 317345984 /nfs/dbraw/zinc/34/59/84/317345984.db2.gz ORAJWFWWBBQTIT-KRWDZBQOSA-N -1 3 313.397 2.596 20 0 DFADHM O=C(CCc1ccc2ccccc2n1)NCc1ncccc1[O-] ZINC000487566059 317347978 /nfs/dbraw/zinc/34/79/78/317347978.db2.gz YTIVDBOHCLYFLJ-UHFFFAOYSA-N -1 3 307.353 2.584 20 0 DFADHM COCc1nocc1C(=O)[N-]c1ncc(-c2cccnc2)s1 ZINC000487752666 317351950 /nfs/dbraw/zinc/35/19/50/317351950.db2.gz PUKILCQNRISMHP-UHFFFAOYSA-N -1 3 316.342 2.592 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CCSC1 ZINC000488674402 317409449 /nfs/dbraw/zinc/40/94/49/317409449.db2.gz KKLLVTDBYVCPCW-VIFPVBQESA-N -1 3 316.220 2.524 20 0 DFADHM Cc1nn(C)c(C)c1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000494489095 317655693 /nfs/dbraw/zinc/65/56/93/317655693.db2.gz VCUJUMQHVJKAMM-LLVKDONJSA-N -1 3 307.419 2.582 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@H](C(C)C)C2)c(=O)[n-]1 ZINC000505704179 317689235 /nfs/dbraw/zinc/68/92/35/317689235.db2.gz BBEDLMCVMWDWBI-KBPBESRZSA-N -1 3 305.422 2.673 20 0 DFADHM CCc1cccc(C(=O)N[C@@H](CO)Cc2cccc(C)c2)c1[O-] ZINC000527309118 317744625 /nfs/dbraw/zinc/74/46/25/317744625.db2.gz SDSGXQLBWYACMG-MRXNPFEDSA-N -1 3 313.397 2.596 20 0 DFADHM Cc1cc(C(=O)N2CCc3nc(C4CC4)ncc3C2)ccc1[O-] ZINC000529927669 317768202 /nfs/dbraw/zinc/76/82/02/317768202.db2.gz SDSFSDPCBFSJQX-UHFFFAOYSA-N -1 3 309.369 2.567 20 0 DFADHM Cc1cccc(C(=O)N2CCc3nc(C4CC4)ncc3C2)c1[O-] ZINC000529929686 317768448 /nfs/dbraw/zinc/76/84/48/317768448.db2.gz KDGDVJOCFWFAHW-UHFFFAOYSA-N -1 3 309.369 2.567 20 0 DFADHM CC[C@H](CS(=O)(=O)[N-]c1c(F)cc(C)cc1Cl)OC ZINC000530145492 317772496 /nfs/dbraw/zinc/77/24/96/317772496.db2.gz SPPKHNFFCLMIIC-SECBINFHSA-N -1 3 309.790 2.954 20 0 DFADHM O=c1[nH]c2ccccc2n1CCC[S@@](=O)c1cccc([O-])c1 ZINC000542689421 317818811 /nfs/dbraw/zinc/81/88/11/317818811.db2.gz CVGSHYGNUHQCSF-JOCHJYFZSA-N -1 3 316.382 2.645 20 0 DFADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1c(C)cccc1F)CO2 ZINC000547479620 317850130 /nfs/dbraw/zinc/85/01/30/317850130.db2.gz RFXRYHFJWAQXPK-CQSZACIVSA-N -1 3 321.373 2.855 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3CC(C(F)(F)F)C3)c([O-])c2O1 ZINC000551902396 317860460 /nfs/dbraw/zinc/86/04/60/317860460.db2.gz OGACDTACSQDDTA-UHFFFAOYSA-N -1 3 315.291 2.740 20 0 DFADHM CN1c2ccccc2N(Cc2cc([O-])cc(F)c2)CCC1=O ZINC000558424870 317882189 /nfs/dbraw/zinc/88/21/89/317882189.db2.gz HIRBROAYGVFGFL-UHFFFAOYSA-N -1 3 300.333 2.904 20 0 DFADHM CC(C)CSCCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563384270 317913502 /nfs/dbraw/zinc/91/35/02/317913502.db2.gz FQHPLAYSMIHGCH-UHFFFAOYSA-N -1 3 309.435 2.569 20 0 DFADHM CCc1cccc(C(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000570501850 317967733 /nfs/dbraw/zinc/96/77/33/317967733.db2.gz IWXMGHQBILQOLV-HOCLYGCPSA-N -1 3 303.402 2.984 20 0 DFADHM O=C(c1c[n-]c2ccncc2c1=O)N1CCC[C@H]1C1CCCC1 ZINC000570952756 317972198 /nfs/dbraw/zinc/97/21/98/317972198.db2.gz 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COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc2nn[n-]c21 ZINC000682151442 545803644 /nfs/dbraw/zinc/80/36/44/545803644.db2.gz GUKIFHFGKKTNEH-HNNXBMFYSA-N -1 3 322.368 2.774 20 0 DFADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc2[n-]nnc21 ZINC000682151442 545803650 /nfs/dbraw/zinc/80/36/50/545803650.db2.gz GUKIFHFGKKTNEH-HNNXBMFYSA-N -1 3 322.368 2.774 20 0 DFADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc2n[n-]nc21 ZINC000682151442 545803655 /nfs/dbraw/zinc/80/36/55/545803655.db2.gz GUKIFHFGKKTNEH-HNNXBMFYSA-N -1 3 322.368 2.774 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]CCCC(C)(C)C)c(F)c1 ZINC000682928685 545942876 /nfs/dbraw/zinc/94/28/76/545942876.db2.gz ARCPLOALJNVIFC-UHFFFAOYSA-N -1 3 303.399 2.939 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cnccc2C)c(F)c1 ZINC000682930554 545942999 /nfs/dbraw/zinc/94/29/99/545942999.db2.gz DWSUZWVSZTVHFH-NSHDSACASA-N -1 3 324.377 2.577 20 0 DFADHM CCn1ccc(CN(C)C(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000682946551 545946098 /nfs/dbraw/zinc/94/60/98/545946098.db2.gz FSNKXAWCZQENFX-UHFFFAOYSA-N -1 3 309.369 2.622 20 0 DFADHM CC[C@@]1(NCc2nc3c4ccccc4oc3c(=O)[n-]2)CCOC1 ZINC000683041985 545965281 /nfs/dbraw/zinc/96/52/81/545965281.db2.gz PHZZXBVYZVBLLN-QGZVFWFLSA-N -1 3 313.357 2.740 20 0 DFADHM O=C([O-])[C@@H](CNCc1cc(F)ccc1F)Cc1ccccc1 ZINC000683170876 545984078 /nfs/dbraw/zinc/98/40/78/545984078.db2.gz DMTIIEATFPHJLC-CQSZACIVSA-N -1 3 305.324 2.998 20 0 DFADHM Cc1ccc(-c2n[nH]cc2CNCc2cccc(C(=O)[O-])c2)o1 ZINC000683176583 545984561 /nfs/dbraw/zinc/98/45/61/545984561.db2.gz MFELJMMALHDOLO-UHFFFAOYSA-N -1 3 311.341 2.966 20 0 DFADHM COc1cc(CNCc2cccc(C(=O)[O-])c2)cc(OC)c1 ZINC000683176905 545984859 /nfs/dbraw/zinc/98/48/59/545984859.db2.gz WIMSUZLUEIIJDN-UHFFFAOYSA-N -1 3 301.342 2.692 20 0 DFADHM CCN(CCNC(=O)c1ccc([O-])c(F)c1)CCC(F)(F)F ZINC000683181306 545985160 /nfs/dbraw/zinc/98/51/60/545985160.db2.gz AXLGHRFQBFCJAZ-UHFFFAOYSA-N -1 3 322.302 2.535 20 0 DFADHM COc1ccc2[nH]c(NC(=O)c3ccc4n[n-]nc4c3)cc2c1 ZINC000683907210 546117424 /nfs/dbraw/zinc/11/74/24/546117424.db2.gz PFHSROYAHWGHHD-UHFFFAOYSA-N -1 3 307.313 2.700 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)n1 ZINC000684089611 546149123 /nfs/dbraw/zinc/14/91/23/546149123.db2.gz WYBUIECNMPNZON-JYJNAYRXSA-N -1 3 324.428 2.620 20 0 DFADHM O=S(=O)([N-][C@@H]1CCc2ccccc2C1)c1cc(F)cc(F)c1 ZINC000684102661 546151834 /nfs/dbraw/zinc/15/18/34/546151834.db2.gz DUOVJQMNHRKIGY-OAHLLOKOSA-N -1 3 323.364 2.801 20 0 DFADHM COc1cc2ccccc2cc1C(=O)NCc1ncccc1[O-] ZINC000684349701 546197553 /nfs/dbraw/zinc/19/75/53/546197553.db2.gz HWJYIGDOVDXXEB-UHFFFAOYSA-N -1 3 308.337 2.879 20 0 DFADHM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000684458980 546223526 /nfs/dbraw/zinc/22/35/26/546223526.db2.gz LKPIBVQQSPPBIV-VHSXEESVSA-N -1 3 317.307 2.956 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CC2CC2)C2CCC2)c1 ZINC000684532449 546238314 /nfs/dbraw/zinc/23/83/14/546238314.db2.gz WEHIQXRGMGZIDY-UHFFFAOYSA-N -1 3 302.374 2.755 20 0 DFADHM Cn1cc(-c2nc(-c3ccc([O-])cc3)no2)c(-c2ccncc2)n1 ZINC000684609670 546252557 /nfs/dbraw/zinc/25/25/57/546252557.db2.gz RRVQVKLKLDLCAS-UHFFFAOYSA-N -1 3 319.324 2.905 20 0 DFADHM Cc1ccc2c(c1)N(C(=O)c1n[n-]nc1-c1ccccc1)CC2 ZINC000684725661 546269190 /nfs/dbraw/zinc/26/91/90/546269190.db2.gz DKJQXYMYIPBPTD-UHFFFAOYSA-N -1 3 304.353 2.983 20 0 DFADHM CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCN(C)CC1 ZINC000684868941 546295595 /nfs/dbraw/zinc/29/55/95/546295595.db2.gz KJULZVVSZUAMOT-UHFFFAOYSA-N -1 3 316.323 2.577 20 0 DFADHM COc1cccc2c1n[n-]c2C(=O)N(C)c1ccccc1OC ZINC000685189237 546328885 /nfs/dbraw/zinc/32/88/85/546328885.db2.gz YATVWQGQFVJAKZ-UHFFFAOYSA-N -1 3 311.341 2.857 20 0 DFADHM COc1cccc2c(C(=O)N(C)c3ccccc3OC)n[n-]c21 ZINC000685189237 546328889 /nfs/dbraw/zinc/32/88/89/546328889.db2.gz YATVWQGQFVJAKZ-UHFFFAOYSA-N -1 3 311.341 2.857 20 0 DFADHM O=C(NCc1ccc(Cl)o1)c1c[n-]nc1-c1ccccn1 ZINC000685584681 546372302 /nfs/dbraw/zinc/37/23/02/546372302.db2.gz HGOWRTDMGFCVIS-UHFFFAOYSA-N -1 3 302.721 2.648 20 0 DFADHM C[C@H](c1ccccc1)[C@H](CO)NC(=O)c1cc([O-])ccc1Cl ZINC000685816474 546394055 /nfs/dbraw/zinc/39/40/55/546394055.db2.gz DGAILIBWYXLIFT-BZNIZROVSA-N -1 3 319.788 2.940 20 0 DFADHM CC(=O)NC1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000685834998 546395405 /nfs/dbraw/zinc/39/54/05/546395405.db2.gz MTZAYVBHNYDSLD-UHFFFAOYSA-N -1 3 316.323 2.512 20 0 DFADHM CCCn1cc(C(=O)Nc2ccc([O-])c(COC(C)C)c2)nn1 ZINC000685886274 546405524 /nfs/dbraw/zinc/40/55/24/546405524.db2.gz QGHOCWIWMNGSCA-UHFFFAOYSA-N -1 3 318.377 2.571 20 0 DFADHM C[C@@]1(c2ccccc2)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000736229133 598829894 /nfs/dbraw/zinc/82/98/94/598829894.db2.gz KFJGWSXDMHACOJ-GOSISDBHSA-N -1 3 320.400 2.820 20 0 DFADHM C[C@@]1(c2ccccc2)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000736229133 598829896 /nfs/dbraw/zinc/82/98/96/598829896.db2.gz KFJGWSXDMHACOJ-GOSISDBHSA-N -1 3 320.400 2.820 20 0 DFADHM Cc1ccc(C[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737334612 598830585 /nfs/dbraw/zinc/83/05/85/598830585.db2.gz JSSPDNWZPAIBHZ-MRXNPFEDSA-N -1 3 320.400 2.782 20 0 DFADHM Cc1ccc(C[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737334612 598830587 /nfs/dbraw/zinc/83/05/87/598830587.db2.gz JSSPDNWZPAIBHZ-MRXNPFEDSA-N -1 3 320.400 2.782 20 0 DFADHM CSCCCCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737180722 598831191 /nfs/dbraw/zinc/83/11/91/598831191.db2.gz CHCOYLMJPJPTBY-NSHDSACASA-N -1 3 319.434 2.577 20 0 DFADHM CSCCCCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737180722 598831192 /nfs/dbraw/zinc/83/11/92/598831192.db2.gz CHCOYLMJPJPTBY-NSHDSACASA-N -1 3 319.434 2.577 20 0 DFADHM CC[C@@H](C)[C@](C)(O)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736326660 599436254 /nfs/dbraw/zinc/43/62/54/599436254.db2.gz CFPHWVWOMCMJCN-YMTOWFKASA-N -1 3 309.801 2.729 20 0 DFADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC2(CC2)c2ccccc21 ZINC000738254252 598836711 /nfs/dbraw/zinc/83/67/11/598836711.db2.gz JTTCQBKGIVMUBP-UHFFFAOYSA-N -1 3 317.352 2.559 20 0 DFADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC2(CC2)c2ccccc21 ZINC000738254252 598836713 /nfs/dbraw/zinc/83/67/13/598836713.db2.gz JTTCQBKGIVMUBP-UHFFFAOYSA-N -1 3 317.352 2.559 20 0 DFADHM Cc1ccccc1-c1noc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737419313 598859955 /nfs/dbraw/zinc/85/99/55/598859955.db2.gz VEZTUDLNNZKNEY-UHFFFAOYSA-N -1 3 304.313 2.892 20 0 DFADHM Cc1ccccc1-c1noc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737419313 598859958 /nfs/dbraw/zinc/85/99/58/598859958.db2.gz VEZTUDLNNZKNEY-UHFFFAOYSA-N -1 3 304.313 2.892 20 0 DFADHM C[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000736124821 598861448 /nfs/dbraw/zinc/86/14/48/598861448.db2.gz IAJLYZSOLHYHAS-JTQLQIEISA-N -1 3 316.434 2.732 20 0 DFADHM C[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000736124821 598861450 /nfs/dbraw/zinc/86/14/50/598861450.db2.gz IAJLYZSOLHYHAS-JTQLQIEISA-N -1 3 316.434 2.732 20 0 DFADHM Cc1noc(C)c1[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000737537704 598870501 /nfs/dbraw/zinc/87/05/01/598870501.db2.gz KQTGQQCTPNHSDJ-SSDOTTSWSA-N -1 3 302.313 2.784 20 0 DFADHM Cc1noc(C)c1[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000737537704 598870502 /nfs/dbraw/zinc/87/05/02/598870502.db2.gz KQTGQQCTPNHSDJ-SSDOTTSWSA-N -1 3 302.313 2.784 20 0 DFADHM CCC(CC)C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736336644 598881590 /nfs/dbraw/zinc/88/15/90/598881590.db2.gz FJJPVUAEOGJHOU-LLVKDONJSA-N -1 3 318.377 2.613 20 0 DFADHM CCC(CC)C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736336644 598881592 /nfs/dbraw/zinc/88/15/92/598881592.db2.gz FJJPVUAEOGJHOU-LLVKDONJSA-N -1 3 318.377 2.613 20 0 DFADHM CC/C=C(/C)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736408235 598887685 /nfs/dbraw/zinc/88/76/85/598887685.db2.gz DXCMRQHIUKUWBW-DSDFTUOUSA-N -1 3 316.361 2.534 20 0 DFADHM CC/C=C(/C)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736408235 598887686 /nfs/dbraw/zinc/88/76/86/598887686.db2.gz DXCMRQHIUKUWBW-DSDFTUOUSA-N -1 3 316.361 2.534 20 0 DFADHM CCC(C)(C)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736315117 598889614 /nfs/dbraw/zinc/88/96/14/598889614.db2.gz WAYRMXWZCLWWQY-NSHDSACASA-N -1 3 318.377 2.613 20 0 DFADHM CCC(C)(C)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736315117 598889615 /nfs/dbraw/zinc/88/96/15/598889615.db2.gz WAYRMXWZCLWWQY-NSHDSACASA-N -1 3 318.377 2.613 20 0 DFADHM C[C@@H]1CCCCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736268425 598901512 /nfs/dbraw/zinc/90/15/12/598901512.db2.gz TYPFPLYGCFTIJQ-LLVKDONJSA-N -1 3 316.434 2.828 20 0 DFADHM C[C@@H]1CCCCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736268425 598901513 /nfs/dbraw/zinc/90/15/13/598901513.db2.gz TYPFPLYGCFTIJQ-LLVKDONJSA-N -1 3 316.434 2.828 20 0 DFADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000738266510 598913906 /nfs/dbraw/zinc/91/39/06/598913906.db2.gz FYTILRITVCCZEY-GOSISDBHSA-N -1 3 323.400 2.829 20 0 DFADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000738266510 598913908 /nfs/dbraw/zinc/91/39/08/598913908.db2.gz FYTILRITVCCZEY-GOSISDBHSA-N -1 3 323.400 2.829 20 0 DFADHM Cc1ccc2oc(N(C)Cc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000737379320 598937677 /nfs/dbraw/zinc/93/76/77/598937677.db2.gz HPWBQOZUDNTTSQ-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1ccc2oc(N(C)Cc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000737379320 598937679 /nfs/dbraw/zinc/93/76/79/598937679.db2.gz HPWBQOZUDNTTSQ-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)C(C1CC1)C1CC1 ZINC000736844610 598939934 /nfs/dbraw/zinc/93/99/34/598939934.db2.gz WHTOHAWMSIMOHJ-UHFFFAOYSA-N -1 3 304.785 2.540 20 0 DFADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)C(C1CC1)C1CC1 ZINC000736844610 598939935 /nfs/dbraw/zinc/93/99/35/598939935.db2.gz WHTOHAWMSIMOHJ-UHFFFAOYSA-N -1 3 304.785 2.540 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1COc1cccnc1Cl ZINC000737653376 598939997 /nfs/dbraw/zinc/93/99/97/598939997.db2.gz ZWKQMUBRNQECAA-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1COc1cccnc1Cl ZINC000737653376 598939999 /nfs/dbraw/zinc/93/99/99/598939999.db2.gz ZWKQMUBRNQECAA-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCC1 ZINC000736739585 598971556 /nfs/dbraw/zinc/97/15/56/598971556.db2.gz RRKXTDMHLZERTQ-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCC1 ZINC000736739585 598971557 /nfs/dbraw/zinc/97/15/57/598971557.db2.gz RRKXTDMHLZERTQ-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CCO[C@@H]1C[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000736610505 598973831 /nfs/dbraw/zinc/97/38/31/598973831.db2.gz IECGPBHSKQCZHK-QWHCGFSZSA-N -1 3 319.384 2.646 20 0 DFADHM CCO[C@@H]1C[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000736610505 598973832 /nfs/dbraw/zinc/97/38/32/598973832.db2.gz IECGPBHSKQCZHK-QWHCGFSZSA-N -1 3 319.384 2.646 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1OCCCOCC(F)(F)F ZINC000737221511 598980016 /nfs/dbraw/zinc/98/00/16/598980016.db2.gz LPZBECUAWUGQGB-UHFFFAOYSA-N -1 3 316.283 2.523 20 0 DFADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCC1CC1 ZINC000737023708 598983183 /nfs/dbraw/zinc/98/31/83/598983183.db2.gz APYUEHNHOGSUNV-UHFFFAOYSA-N -1 3 322.752 2.624 20 0 DFADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCC1CC1 ZINC000737023708 598983185 /nfs/dbraw/zinc/98/31/85/598983185.db2.gz APYUEHNHOGSUNV-UHFFFAOYSA-N -1 3 322.752 2.624 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CCC1CC1 ZINC000735904575 598996913 /nfs/dbraw/zinc/99/69/13/598996913.db2.gz QYUJSPBXCQIZKD-UHFFFAOYSA-N -1 3 315.377 2.783 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC1CC1 ZINC000735904575 598996914 /nfs/dbraw/zinc/99/69/14/598996914.db2.gz QYUJSPBXCQIZKD-UHFFFAOYSA-N -1 3 315.377 2.783 20 0 DFADHM O=C(C[C@@H]1CCc2ccccc21)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737819697 599015248 /nfs/dbraw/zinc/01/52/48/599015248.db2.gz OMTGQYSPPPXHGG-AWEZNQCLSA-N -1 3 320.352 2.892 20 0 DFADHM O=C(C[C@@H]1CCc2ccccc21)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737819697 599015250 /nfs/dbraw/zinc/01/52/50/599015250.db2.gz OMTGQYSPPPXHGG-AWEZNQCLSA-N -1 3 320.352 2.892 20 0 DFADHM CC[C@@H]1CCC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736401901 599012729 /nfs/dbraw/zinc/01/27/29/599012729.db2.gz ZUBLKEPMTDRARH-YPMHNXCESA-N -1 3 314.393 2.957 20 0 DFADHM CC[C@@H]1CCC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736401901 599012731 /nfs/dbraw/zinc/01/27/31/599012731.db2.gz ZUBLKEPMTDRARH-YPMHNXCESA-N -1 3 314.393 2.957 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCCCCC2)n1 ZINC000737631031 599037511 /nfs/dbraw/zinc/03/75/11/599037511.db2.gz BSUHJRQSFGWTOA-UHFFFAOYSA-N -1 3 312.299 2.661 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCCCCC2)n1 ZINC000737631031 599037514 /nfs/dbraw/zinc/03/75/14/599037514.db2.gz BSUHJRQSFGWTOA-UHFFFAOYSA-N -1 3 312.299 2.661 20 0 DFADHM CC(C)C1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820047312 599053452 /nfs/dbraw/zinc/05/34/52/599053452.db2.gz XCGDBYZBHPNFLV-UHFFFAOYSA-N -1 3 306.801 2.788 20 0 DFADHM CC(C)C1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820047312 599053455 /nfs/dbraw/zinc/05/34/55/599053455.db2.gz XCGDBYZBHPNFLV-UHFFFAOYSA-N -1 3 306.801 2.788 20 0 DFADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)Oc1cccc(F)c1 ZINC000820274161 599059442 /nfs/dbraw/zinc/05/94/42/599059442.db2.gz FFMHZSGVMMGQKW-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM CCn1nc(C)c(Nc2cccc(F)c2-c2nnn[n-]2)c1C ZINC000821568326 599060428 /nfs/dbraw/zinc/06/04/28/599060428.db2.gz QFQALNVYPGYQJO-UHFFFAOYSA-N -1 3 301.329 2.583 20 0 DFADHM CCn1nc(C)c(Nc2cccc(F)c2-c2nn[n-]n2)c1C ZINC000821568326 599060431 /nfs/dbraw/zinc/06/04/31/599060431.db2.gz QFQALNVYPGYQJO-UHFFFAOYSA-N -1 3 301.329 2.583 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)CN1c1ncccc1-c1nnn[n-]1 ZINC000736233999 599060965 /nfs/dbraw/zinc/06/09/65/599060965.db2.gz HNZIILIQMYUKEX-OCCSQVGLSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)CN1c1ncccc1-c1nn[n-]n1 ZINC000736233999 599060967 /nfs/dbraw/zinc/06/09/67/599060967.db2.gz HNZIILIQMYUKEX-OCCSQVGLSA-N -1 3 306.373 2.644 20 0 DFADHM Fc1ccc(CN(CC2CC2)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737648211 599064299 /nfs/dbraw/zinc/06/42/99/599064299.db2.gz HQINQTPIOJEFGU-UHFFFAOYSA-N -1 3 324.363 2.817 20 0 DFADHM Fc1ccc(CN(CC2CC2)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737648211 599064302 /nfs/dbraw/zinc/06/43/02/599064302.db2.gz HQINQTPIOJEFGU-UHFFFAOYSA-N -1 3 324.363 2.817 20 0 DFADHM CC(C)c1nc(CSc2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000735938787 599065340 /nfs/dbraw/zinc/06/53/40/599065340.db2.gz CPUCOWTYVGXEDV-UHFFFAOYSA-N -1 3 320.353 2.805 20 0 DFADHM CC(C)c1nc(CSc2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000735938787 599065343 /nfs/dbraw/zinc/06/53/43/599065343.db2.gz CPUCOWTYVGXEDV-UHFFFAOYSA-N -1 3 320.353 2.805 20 0 DFADHM Cc1cccc(F)c1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000822308236 599068170 /nfs/dbraw/zinc/06/81/70/599068170.db2.gz AVRXVCJWLOTYIG-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Cc1cccc(F)c1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000822308236 599068173 /nfs/dbraw/zinc/06/81/73/599068173.db2.gz AVRXVCJWLOTYIG-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM CCc1ccc(CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736683271 599072134 /nfs/dbraw/zinc/07/21/34/599072134.db2.gz OYSGSTJJJVWROA-UHFFFAOYSA-N -1 3 321.384 2.635 20 0 DFADHM CCc1ccc(CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736683271 599072137 /nfs/dbraw/zinc/07/21/37/599072137.db2.gz OYSGSTJJJVWROA-UHFFFAOYSA-N -1 3 321.384 2.635 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H](C)S1 ZINC000820767636 599074805 /nfs/dbraw/zinc/07/48/05/599074805.db2.gz JCOXCOOCNHBYRW-RKDXNWHRSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H](C)S1 ZINC000820767636 599074808 /nfs/dbraw/zinc/07/48/08/599074808.db2.gz JCOXCOOCNHBYRW-RKDXNWHRSA-N -1 3 309.826 2.850 20 0 DFADHM COc1ccccc1C[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821889538 599077543 /nfs/dbraw/zinc/07/75/43/599077543.db2.gz CBUWRIXMZPAZAA-ZDUSSCGKSA-N -1 3 323.400 2.943 20 0 DFADHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736128033 599079057 /nfs/dbraw/zinc/07/90/57/599079057.db2.gz UQLHFXDRCCHVNP-VIFPVBQESA-N -1 3 305.407 2.627 20 0 DFADHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736128033 599079060 /nfs/dbraw/zinc/07/90/60/599079060.db2.gz UQLHFXDRCCHVNP-VIFPVBQESA-N -1 3 305.407 2.627 20 0 DFADHM O[C@@H](CCNc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823674030 599086207 /nfs/dbraw/zinc/08/62/07/599086207.db2.gz OZBZRKNXSIWBKE-HNNXBMFYSA-N -1 3 313.336 2.541 20 0 DFADHM O[C@@H](CCNc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823674030 599086210 /nfs/dbraw/zinc/08/62/10/599086210.db2.gz OZBZRKNXSIWBKE-HNNXBMFYSA-N -1 3 313.336 2.541 20 0 DFADHM c1c2c(nc(NCC(C3CC3)C3CC3)c1-c1nnn[n-]1)CCC2 ZINC000823737238 599087288 /nfs/dbraw/zinc/08/72/88/599087288.db2.gz BSYJAOVGZFJHDF-UHFFFAOYSA-N -1 3 310.405 2.599 20 0 DFADHM c1c2c(nc(NCC(C3CC3)C3CC3)c1-c1nn[n-]n1)CCC2 ZINC000823737238 599087291 /nfs/dbraw/zinc/08/72/91/599087291.db2.gz BSYJAOVGZFJHDF-UHFFFAOYSA-N -1 3 310.405 2.599 20 0 DFADHM CN(CCc1cccs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821607233 599088239 /nfs/dbraw/zinc/08/82/39/599088239.db2.gz FLFRECFJEDAMEJ-UHFFFAOYSA-N -1 3 303.366 2.746 20 0 DFADHM c1c2c(nc(N3CCC4(CCCC4)C3)c1-c1nnn[n-]1)CCC2 ZINC000823737739 599094932 /nfs/dbraw/zinc/09/49/32/599094932.db2.gz JNSQRBCJMCWJFE-UHFFFAOYSA-N -1 3 310.405 2.521 20 0 DFADHM c1c2c(nc(N3CCC4(CCCC4)C3)c1-c1nn[n-]n1)CCC2 ZINC000823737739 599094935 /nfs/dbraw/zinc/09/49/35/599094935.db2.gz JNSQRBCJMCWJFE-UHFFFAOYSA-N -1 3 310.405 2.521 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1nccc2occc21 ZINC000736816224 599120924 /nfs/dbraw/zinc/12/09/24/599120924.db2.gz ARFZSRMSTCUNJT-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1nccc2occc21 ZINC000736816224 599120925 /nfs/dbraw/zinc/12/09/25/599120925.db2.gz ARFZSRMSTCUNJT-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM Cc1nc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000737480265 599122310 /nfs/dbraw/zinc/12/23/10/599122310.db2.gz KSXBINXYRBFXLU-UHFFFAOYSA-N -1 3 300.391 2.576 20 0 DFADHM Cc1nc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000737480265 599122313 /nfs/dbraw/zinc/12/23/13/599122313.db2.gz KSXBINXYRBFXLU-UHFFFAOYSA-N -1 3 300.391 2.576 20 0 DFADHM CCN(C(=O)/C=C\C1CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147430 599143615 /nfs/dbraw/zinc/14/36/15/599143615.db2.gz GAQQDNAJKWIGRS-DSDFTUOUSA-N -1 3 311.389 2.742 20 0 DFADHM CCN(C(=O)/C=C\C1CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147430 599143618 /nfs/dbraw/zinc/14/36/18/599143618.db2.gz GAQQDNAJKWIGRS-DSDFTUOUSA-N -1 3 311.389 2.742 20 0 DFADHM CC(C)(C)C1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735594784 599168465 /nfs/dbraw/zinc/16/84/65/599168465.db2.gz CECHJEWTFMFOEJ-UHFFFAOYSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)(C)C1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735594784 599168470 /nfs/dbraw/zinc/16/84/70/599168470.db2.gz CECHJEWTFMFOEJ-UHFFFAOYSA-N -1 3 313.405 2.765 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)C(C)C ZINC000737291720 599188713 /nfs/dbraw/zinc/18/87/13/599188713.db2.gz NYDNKJKCVHGXPT-UHFFFAOYSA-N -1 3 302.382 2.731 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)C(C)C ZINC000737291720 599188716 /nfs/dbraw/zinc/18/87/16/599188716.db2.gz NYDNKJKCVHGXPT-UHFFFAOYSA-N -1 3 302.382 2.731 20 0 DFADHM CC(C)(NC(=O)c1sccc1-c1nnn[n-]1)c1cccs1 ZINC000735677520 599196137 /nfs/dbraw/zinc/19/61/37/599196137.db2.gz CSSOWSBULXJORO-UHFFFAOYSA-N -1 3 319.415 2.655 20 0 DFADHM CC(C)(NC(=O)c1sccc1-c1nn[n-]n1)c1cccs1 ZINC000735677520 599196138 /nfs/dbraw/zinc/19/61/38/599196138.db2.gz CSSOWSBULXJORO-UHFFFAOYSA-N -1 3 319.415 2.655 20 0 DFADHM CC[C@]1(C)CCCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000820950510 599201559 /nfs/dbraw/zinc/20/15/59/599201559.db2.gz OPWLVKHPENZHKO-CQSZACIVSA-N -1 3 305.407 2.581 20 0 DFADHM CC[C@]1(C)CCCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000820950510 599201563 /nfs/dbraw/zinc/20/15/63/599201563.db2.gz OPWLVKHPENZHKO-CQSZACIVSA-N -1 3 305.407 2.581 20 0 DFADHM O=C(NCCCCC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823187072 599207963 /nfs/dbraw/zinc/20/79/63/599207963.db2.gz ABHAGBSLTFDTMW-UHFFFAOYSA-N -1 3 313.405 2.957 20 0 DFADHM O=C(NCCCCC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823187072 599207965 /nfs/dbraw/zinc/20/79/65/599207965.db2.gz ABHAGBSLTFDTMW-UHFFFAOYSA-N -1 3 313.405 2.957 20 0 DFADHM C[C@@H](COC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000736036510 599215994 /nfs/dbraw/zinc/21/59/94/599215994.db2.gz BWFFLLHSTOMBCH-JTQLQIEISA-N -1 3 314.370 2.889 20 0 DFADHM CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819818221 599217168 /nfs/dbraw/zinc/21/71/68/599217168.db2.gz SIMPCLKAPKQTJC-UHFFFAOYSA-N -1 3 313.292 2.757 20 0 DFADHM CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819818221 599217170 /nfs/dbraw/zinc/21/71/70/599217170.db2.gz SIMPCLKAPKQTJC-UHFFFAOYSA-N -1 3 313.292 2.757 20 0 DFADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821028752 599219724 /nfs/dbraw/zinc/21/97/24/599219724.db2.gz YZGPVDPKQBACRG-KRWDZBQOSA-N -1 3 313.405 2.909 20 0 DFADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821028752 599219725 /nfs/dbraw/zinc/21/97/25/599219725.db2.gz YZGPVDPKQBACRG-KRWDZBQOSA-N -1 3 313.405 2.909 20 0 DFADHM Cc1c(NC(=O)CSC(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822076119 607267147 /nfs/dbraw/zinc/26/71/47/607267147.db2.gz LQLVYFWPEZOKOG-UHFFFAOYSA-N -1 3 305.407 2.645 20 0 DFADHM Cc1c(NC(=O)CSC(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822076119 607267148 /nfs/dbraw/zinc/26/71/48/607267148.db2.gz LQLVYFWPEZOKOG-UHFFFAOYSA-N -1 3 305.407 2.645 20 0 DFADHM Cc1c(NC(=O)c2cc(C(C)C)no2)cccc1-c1nnn[n-]1 ZINC000822109668 607270800 /nfs/dbraw/zinc/27/08/00/607270800.db2.gz TUBLFJRSBQVUGZ-UHFFFAOYSA-N -1 3 312.333 2.539 20 0 DFADHM Cc1c(NC(=O)c2cc(C(C)C)no2)cccc1-c1nn[n-]n1 ZINC000822109668 607270801 /nfs/dbraw/zinc/27/08/01/607270801.db2.gz TUBLFJRSBQVUGZ-UHFFFAOYSA-N -1 3 312.333 2.539 20 0 DFADHM CCN(CC1CCN(C[C@H](O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000827093707 603512768 /nfs/dbraw/zinc/51/27/68/603512768.db2.gz SBTXHDGRBPJSFC-INIZCTEOSA-N -1 3 324.396 2.571 20 0 DFADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1cccc(F)c1F ZINC000824669712 608304376 /nfs/dbraw/zinc/30/43/76/608304376.db2.gz GVWFUJSYAQCEHL-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824669712 608304378 /nfs/dbraw/zinc/30/43/78/608304378.db2.gz GVWFUJSYAQCEHL-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM CC[C@@H](C)[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820859436 607280986 /nfs/dbraw/zinc/28/09/86/607280986.db2.gz DVKCSAJRYHQLGN-KOLCDFICSA-N -1 3 302.382 2.731 20 0 DFADHM CC[C@@H](C)[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820859436 607280987 /nfs/dbraw/zinc/28/09/87/607280987.db2.gz DVKCSAJRYHQLGN-KOLCDFICSA-N -1 3 302.382 2.731 20 0 DFADHM Cc1c(NC(=O)NCc2ccsc2)cccc1-c1nnn[n-]1 ZINC000822102798 607281806 /nfs/dbraw/zinc/28/18/06/607281806.db2.gz DGVBMUOSXNZYGI-UHFFFAOYSA-N -1 3 314.374 2.558 20 0 DFADHM Cc1c(NC(=O)NCc2ccsc2)cccc1-c1nn[n-]n1 ZINC000822102798 607281807 /nfs/dbraw/zinc/28/18/07/607281807.db2.gz DGVBMUOSXNZYGI-UHFFFAOYSA-N -1 3 314.374 2.558 20 0 DFADHM CCC1(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCC1 ZINC000820966913 607287785 /nfs/dbraw/zinc/28/77/85/607287785.db2.gz IRJLHKFYXPPEPS-UHFFFAOYSA-N -1 3 300.366 2.629 20 0 DFADHM CCC1(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCC1 ZINC000820966913 607287786 /nfs/dbraw/zinc/28/77/86/607287786.db2.gz IRJLHKFYXPPEPS-UHFFFAOYSA-N -1 3 300.366 2.629 20 0 DFADHM Cc1c(NC(=O)N[C@@H](C)C2CCCC2)cccc1-c1nnn[n-]1 ZINC000822089708 607288572 /nfs/dbraw/zinc/28/85/72/607288572.db2.gz GILAXCQLQUAGQK-NSHDSACASA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@@H](C)C2CCCC2)cccc1-c1nn[n-]n1 ZINC000822089708 607288573 /nfs/dbraw/zinc/28/85/73/607288573.db2.gz GILAXCQLQUAGQK-NSHDSACASA-N -1 3 314.393 2.875 20 0 DFADHM CCC(CC)CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820893284 607284624 /nfs/dbraw/zinc/28/46/24/607284624.db2.gz MHZKNSJXQLUNSP-UHFFFAOYSA-N -1 3 302.382 2.733 20 0 DFADHM CCC(CC)CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820893284 607284625 /nfs/dbraw/zinc/28/46/25/607284625.db2.gz MHZKNSJXQLUNSP-UHFFFAOYSA-N -1 3 302.382 2.733 20 0 DFADHM CC(C)OCCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820142697 607302567 /nfs/dbraw/zinc/30/25/67/607302567.db2.gz RYBLDERMBOPBLL-UHFFFAOYSA-N -1 3 312.377 2.642 20 0 DFADHM CC(C)OCCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820142697 607302568 /nfs/dbraw/zinc/30/25/68/607302568.db2.gz RYBLDERMBOPBLL-UHFFFAOYSA-N -1 3 312.377 2.642 20 0 DFADHM O[C@H]1CCCC[C@@H]1CCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000823706408 607306645 /nfs/dbraw/zinc/30/66/45/607306645.db2.gz MHXABVJHQQNMJK-DOMZBBRYSA-N -1 3 301.394 2.610 20 0 DFADHM CCc1ccccc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821492904 607307959 /nfs/dbraw/zinc/30/79/59/607307959.db2.gz YZKNLQSQKDMBKQ-LBPRGKRZSA-N -1 3 321.384 2.920 20 0 DFADHM CCc1ccccc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821492904 607307960 /nfs/dbraw/zinc/30/79/60/607307960.db2.gz YZKNLQSQKDMBKQ-LBPRGKRZSA-N -1 3 321.384 2.920 20 0 DFADHM Cc1cc(F)cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000822203368 607308310 /nfs/dbraw/zinc/30/83/10/607308310.db2.gz QEMWSWGWZGFVEG-VOTSOKGWSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1cc(F)cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000822203368 607308311 /nfs/dbraw/zinc/30/83/11/607308311.db2.gz QEMWSWGWZGFVEG-VOTSOKGWSA-N -1 3 323.331 2.966 20 0 DFADHM COc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000821835438 607309033 /nfs/dbraw/zinc/30/90/33/607309033.db2.gz KXGPNGIGZWGGQF-UHFFFAOYSA-N -1 3 305.338 2.688 20 0 DFADHM COc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000821835438 607309034 /nfs/dbraw/zinc/30/90/34/607309034.db2.gz KXGPNGIGZWGGQF-UHFFFAOYSA-N -1 3 305.338 2.688 20 0 DFADHM COc1ccc(CNc2cc(C)cc(F)c2)cc1-c1nnn[n-]1 ZINC000821821554 607311363 /nfs/dbraw/zinc/31/13/63/607311363.db2.gz KNXTZQBAMYJFNX-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(CNc2cc(C)cc(F)c2)cc1-c1nn[n-]n1 ZINC000821821554 607311364 /nfs/dbraw/zinc/31/13/64/607311364.db2.gz KNXTZQBAMYJFNX-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM c1cnn(-c2cccc(NCc3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000823757036 607312038 /nfs/dbraw/zinc/31/20/38/607312038.db2.gz JUYFEKMFXURMTO-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM CCCN(Cc1ccc(C)cc1)c1ncccc1-c1nnn[n-]1 ZINC000821109180 607305103 /nfs/dbraw/zinc/30/51/03/607305103.db2.gz BEZKYECPMPIVLT-UHFFFAOYSA-N -1 3 308.389 2.987 20 0 DFADHM CCCN(Cc1ccc(C)cc1)c1ncccc1-c1nn[n-]n1 ZINC000821109180 607305104 /nfs/dbraw/zinc/30/51/04/607305104.db2.gz BEZKYECPMPIVLT-UHFFFAOYSA-N -1 3 308.389 2.987 20 0 DFADHM C[C@@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000736251785 599268962 /nfs/dbraw/zinc/26/89/62/599268962.db2.gz IUYVLHNPQUITIH-NEPJUHHUSA-N -1 3 308.389 2.827 20 0 DFADHM C[C@@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000736251785 599268965 /nfs/dbraw/zinc/26/89/65/599268965.db2.gz IUYVLHNPQUITIH-NEPJUHHUSA-N -1 3 308.389 2.827 20 0 DFADHM CCOC(=O)/C=C\CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825499319 607843665 /nfs/dbraw/zinc/84/36/65/607843665.db2.gz KGZMRKSZAYBGPD-ARJAWSKDSA-N -1 3 324.793 2.732 20 0 DFADHM CCOC(=O)/C=C\CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825499319 607843666 /nfs/dbraw/zinc/84/36/66/607843666.db2.gz KGZMRKSZAYBGPD-ARJAWSKDSA-N -1 3 324.793 2.732 20 0 DFADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCCOc1ccccc1 ZINC000737222421 599283880 /nfs/dbraw/zinc/28/38/80/599283880.db2.gz YVZYUKSBOPODKY-UHFFFAOYSA-N -1 3 310.357 2.941 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@@H]1CSc2ccccc21 ZINC000738191467 599291039 /nfs/dbraw/zinc/29/10/39/599291039.db2.gz LKBVZEVHEWSEPZ-GFCCVEGCSA-N -1 3 323.381 2.695 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@@H]1CSc2ccccc21 ZINC000738191467 599291043 /nfs/dbraw/zinc/29/10/43/599291043.db2.gz LKBVZEVHEWSEPZ-GFCCVEGCSA-N -1 3 323.381 2.695 20 0 DFADHM CCSCC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000821456629 607327319 /nfs/dbraw/zinc/32/73/19/607327319.db2.gz RGHSDDGLBXYUNV-SNVBAGLBSA-N -1 3 309.414 2.974 20 0 DFADHM Cc1cn(CCCOCCc2ccccc2)cc1-c1nnn[n-]1 ZINC000822384478 607329540 /nfs/dbraw/zinc/32/95/40/607329540.db2.gz MRZSFGMDTHDIDT-UHFFFAOYSA-N -1 3 311.389 2.626 20 0 DFADHM Cc1cn(CCCOCCc2ccccc2)cc1-c1nn[n-]n1 ZINC000822384478 607329541 /nfs/dbraw/zinc/32/95/41/607329541.db2.gz MRZSFGMDTHDIDT-UHFFFAOYSA-N -1 3 311.389 2.626 20 0 DFADHM O=C([O-])C1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000821511874 598145693 /nfs/dbraw/zinc/14/56/93/598145693.db2.gz UOEKHGPKEKGNRO-CQSZACIVSA-N -1 3 322.792 2.630 20 0 DFADHM Cc1cc(O)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826271806 607339114 /nfs/dbraw/zinc/33/91/14/607339114.db2.gz INMQGFGWTQZDEF-RMKNXTFCSA-N -1 3 321.340 2.533 20 0 DFADHM Cc1cc(O)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826271806 607339115 /nfs/dbraw/zinc/33/91/15/607339115.db2.gz INMQGFGWTQZDEF-RMKNXTFCSA-N -1 3 321.340 2.533 20 0 DFADHM Cc1c([C@@H](C)NCCCCC(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000820944521 598171457 /nfs/dbraw/zinc/17/14/57/598171457.db2.gz CGQHYFGRWYIOAN-LLVKDONJSA-N -1 3 320.368 2.620 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000737639465 598235053 /nfs/dbraw/zinc/23/50/53/598235053.db2.gz CBURTRBOJJFLEM-SECBINFHSA-N -1 3 315.274 2.785 20 0 DFADHM C[C@H]1Cc2ccccc2N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736299021 598239261 /nfs/dbraw/zinc/23/92/61/598239261.db2.gz RNBVZUFRNKTFFY-LBPRGKRZSA-N -1 3 319.368 2.706 20 0 DFADHM C[C@H]1Cc2ccccc2N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736299021 598239262 /nfs/dbraw/zinc/23/92/62/598239262.db2.gz RNBVZUFRNKTFFY-LBPRGKRZSA-N -1 3 319.368 2.706 20 0 DFADHM CC[C@H](C)[C@H](C)N(C(=O)c1sccc1-c1nnn[n-]1)C1CC1 ZINC000736329614 598240858 /nfs/dbraw/zinc/24/08/58/598240858.db2.gz JVRSHXUVOBAHBC-UWVGGRQHSA-N -1 3 319.434 2.967 20 0 DFADHM CC[C@H](C)[C@H](C)N(C(=O)c1sccc1-c1nn[n-]n1)C1CC1 ZINC000736329614 598240860 /nfs/dbraw/zinc/24/08/60/598240860.db2.gz JVRSHXUVOBAHBC-UWVGGRQHSA-N -1 3 319.434 2.967 20 0 DFADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1sccc1-c1nnn[n-]1)C1CC1 ZINC000736329612 598241022 /nfs/dbraw/zinc/24/10/22/598241022.db2.gz JVRSHXUVOBAHBC-NXEZZACHSA-N -1 3 319.434 2.967 20 0 DFADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1sccc1-c1nn[n-]n1)C1CC1 ZINC000736329612 598241023 /nfs/dbraw/zinc/24/10/23/598241023.db2.gz JVRSHXUVOBAHBC-NXEZZACHSA-N -1 3 319.434 2.967 20 0 DFADHM CN(C)c1cccc(CNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000736781405 598243160 /nfs/dbraw/zinc/24/31/60/598243160.db2.gz ZKTNOWUYLQJMBT-UHFFFAOYSA-N -1 3 312.352 2.684 20 0 DFADHM CN(C)c1cccc(CNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000736781405 598243161 /nfs/dbraw/zinc/24/31/61/598243161.db2.gz ZKTNOWUYLQJMBT-UHFFFAOYSA-N -1 3 312.352 2.684 20 0 DFADHM CCN(Cc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cn1 ZINC000736554926 598246336 /nfs/dbraw/zinc/24/63/36/598246336.db2.gz FWEYQFNFTBOGRC-UHFFFAOYSA-N -1 3 316.315 2.566 20 0 DFADHM CCN(Cc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cn1 ZINC000736554926 598246337 /nfs/dbraw/zinc/24/63/37/598246337.db2.gz FWEYQFNFTBOGRC-UHFFFAOYSA-N -1 3 316.315 2.566 20 0 DFADHM CC[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736336097 598288913 /nfs/dbraw/zinc/28/89/13/598288913.db2.gz ZUGFGQLGLBGPCX-ZDUSSCGKSA-N -1 3 302.378 2.982 20 0 DFADHM CC[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736336097 598288915 /nfs/dbraw/zinc/28/89/15/598288915.db2.gz ZUGFGQLGLBGPCX-ZDUSSCGKSA-N -1 3 302.378 2.982 20 0 DFADHM CC[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736336096 598289353 /nfs/dbraw/zinc/28/93/53/598289353.db2.gz ZUGFGQLGLBGPCX-CYBMUJFWSA-N -1 3 302.378 2.982 20 0 DFADHM CC[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736336096 598289355 /nfs/dbraw/zinc/28/93/55/598289355.db2.gz ZUGFGQLGLBGPCX-CYBMUJFWSA-N -1 3 302.378 2.982 20 0 DFADHM CC[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000736333375 598297563 /nfs/dbraw/zinc/29/75/63/598297563.db2.gz PRGKEFQCHDGALX-LLVKDONJSA-N -1 3 319.384 2.694 20 0 DFADHM CC[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000736333375 598297564 /nfs/dbraw/zinc/29/75/64/598297564.db2.gz PRGKEFQCHDGALX-LLVKDONJSA-N -1 3 319.384 2.694 20 0 DFADHM CCCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736461942 598317114 /nfs/dbraw/zinc/31/71/14/598317114.db2.gz WWLORALUFJMPGR-UHFFFAOYSA-N -1 3 310.814 2.607 20 0 DFADHM CCCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736461942 598317117 /nfs/dbraw/zinc/31/71/17/598317117.db2.gz WWLORALUFJMPGR-UHFFFAOYSA-N -1 3 310.814 2.607 20 0 DFADHM CCCN(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736471053 598323800 /nfs/dbraw/zinc/32/38/00/598323800.db2.gz HALSMQNNZKWCDV-UHFFFAOYSA-N -1 3 310.814 2.559 20 0 DFADHM CCCN(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736471053 598323802 /nfs/dbraw/zinc/32/38/02/598323802.db2.gz HALSMQNNZKWCDV-UHFFFAOYSA-N -1 3 310.814 2.559 20 0 DFADHM CC(C)c1nc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735938680 598325066 /nfs/dbraw/zinc/32/50/66/598325066.db2.gz AXYSTEPZRMEHDC-UHFFFAOYSA-N -1 3 315.358 2.666 20 0 DFADHM CC(C)c1nc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735938680 598325068 /nfs/dbraw/zinc/32/50/68/598325068.db2.gz AXYSTEPZRMEHDC-UHFFFAOYSA-N -1 3 315.358 2.666 20 0 DFADHM Cc1cc(C)n([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737257831 598339811 /nfs/dbraw/zinc/33/98/11/598339811.db2.gz VRKMMCYZFPGXBE-INIZCTEOSA-N -1 3 323.404 2.522 20 0 DFADHM CCOC(=O)[C@@H](CC)SCc1cccc(-c2nn[n-]n2)c1F ZINC000825485230 608399483 /nfs/dbraw/zinc/39/94/83/608399483.db2.gz FUCJTTAZLLSHKY-LLVKDONJSA-N -1 3 324.381 2.581 20 0 DFADHM Cc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737392270 598365403 /nfs/dbraw/zinc/36/54/03/598365403.db2.gz RSOQXONCMRKFDA-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM Cc1cccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737392270 598365406 /nfs/dbraw/zinc/36/54/06/598365406.db2.gz RSOQXONCMRKFDA-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM CCc1cc(Oc2ccc(-c3nnn[n-]3)cc2Cl)ncn1 ZINC000736678328 598385065 /nfs/dbraw/zinc/38/50/65/598385065.db2.gz XTBLRJADTDFUBG-UHFFFAOYSA-N -1 3 302.725 2.665 20 0 DFADHM CCc1cc(Oc2ccc(-c3nn[n-]n3)cc2Cl)ncn1 ZINC000736678328 598385066 /nfs/dbraw/zinc/38/50/66/598385066.db2.gz XTBLRJADTDFUBG-UHFFFAOYSA-N -1 3 302.725 2.665 20 0 DFADHM CN(Cc1ccc(F)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736820161 598386242 /nfs/dbraw/zinc/38/62/42/598386242.db2.gz RZHPKDYTXKQPNM-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1ccc(F)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736820161 598386243 /nfs/dbraw/zinc/38/62/43/598386243.db2.gz RZHPKDYTXKQPNM-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CCCCOCCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736460794 598386470 /nfs/dbraw/zinc/38/64/70/598386470.db2.gz QOJOEZDYTURRSS-UHFFFAOYSA-N -1 3 310.789 2.534 20 0 DFADHM CCCCOCCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736460794 598386472 /nfs/dbraw/zinc/38/64/72/598386472.db2.gz QOJOEZDYTURRSS-UHFFFAOYSA-N -1 3 310.789 2.534 20 0 DFADHM Fc1cccc(N2CCCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000737662641 598390451 /nfs/dbraw/zinc/39/04/51/598390451.db2.gz XKNLPDXBDWPGNC-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM Fc1cccc(N2CCCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000737662641 598390454 /nfs/dbraw/zinc/39/04/54/598390454.db2.gz XKNLPDXBDWPGNC-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM Clc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000737576298 598391236 /nfs/dbraw/zinc/39/12/36/598391236.db2.gz PCEUFVHTJLQJMA-UHFFFAOYSA-N -1 3 322.159 2.576 20 0 DFADHM Clc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000737576298 598391238 /nfs/dbraw/zinc/39/12/38/598391238.db2.gz PCEUFVHTJLQJMA-UHFFFAOYSA-N -1 3 322.159 2.576 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@H]1c1ccccc1 ZINC000737558901 598392714 /nfs/dbraw/zinc/39/27/14/598392714.db2.gz RDYKCEBPKIKITC-WCQYABFASA-N -1 3 312.764 2.883 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@H]1c1ccccc1 ZINC000737558901 598392716 /nfs/dbraw/zinc/39/27/16/598392716.db2.gz RDYKCEBPKIKITC-WCQYABFASA-N -1 3 312.764 2.883 20 0 DFADHM C[C@H](NC(=O)CC1=CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736099965 598395550 /nfs/dbraw/zinc/39/55/50/598395550.db2.gz IVWVVNSRQSPPQA-LBPRGKRZSA-N -1 3 311.389 2.934 20 0 DFADHM C[C@H](NC(=O)CC1=CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736099965 598395551 /nfs/dbraw/zinc/39/55/51/598395551.db2.gz IVWVVNSRQSPPQA-LBPRGKRZSA-N -1 3 311.389 2.934 20 0 DFADHM CCCCCNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000736451387 598413971 /nfs/dbraw/zinc/41/39/71/598413971.db2.gz MAORDAQCWJIBNG-NSHDSACASA-N -1 3 319.434 2.654 20 0 DFADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000736424267 598414263 /nfs/dbraw/zinc/41/42/63/598414263.db2.gz PJLHXLKMQNZMMZ-WDEREUQCSA-N -1 3 319.434 2.652 20 0 DFADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000736424267 598414265 /nfs/dbraw/zinc/41/42/65/598414265.db2.gz PJLHXLKMQNZMMZ-WDEREUQCSA-N -1 3 319.434 2.652 20 0 DFADHM CCCCCNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000736451387 598413969 /nfs/dbraw/zinc/41/39/69/598413969.db2.gz MAORDAQCWJIBNG-NSHDSACASA-N -1 3 319.434 2.654 20 0 DFADHM CN(CCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000736801766 598421829 /nfs/dbraw/zinc/42/18/29/598421829.db2.gz KZALCKPDSQIQTF-UHFFFAOYSA-N -1 3 313.336 2.521 20 0 DFADHM CN(CCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000736801766 598421830 /nfs/dbraw/zinc/42/18/30/598421830.db2.gz KZALCKPDSQIQTF-UHFFFAOYSA-N -1 3 313.336 2.521 20 0 DFADHM Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737388909 598436027 /nfs/dbraw/zinc/43/60/27/598436027.db2.gz NDONHKVZSKJEQU-UHFFFAOYSA-N -1 3 322.372 2.946 20 0 DFADHM Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737388909 598436028 /nfs/dbraw/zinc/43/60/28/598436028.db2.gz NDONHKVZSKJEQU-UHFFFAOYSA-N -1 3 322.372 2.946 20 0 DFADHM CC[C@](C)(NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736314187 598454816 /nfs/dbraw/zinc/45/48/16/598454816.db2.gz JCTCOCYTWAQTLX-SFHVURJKSA-N -1 3 321.384 2.922 20 0 DFADHM CC[C@](C)(NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736314187 598454818 /nfs/dbraw/zinc/45/48/18/598454818.db2.gz JCTCOCYTWAQTLX-SFHVURJKSA-N -1 3 321.384 2.922 20 0 DFADHM Cc1nnc(N(C)C[C@@H](C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000737521782 598457414 /nfs/dbraw/zinc/45/74/14/598457414.db2.gz NSINMMTUQGWHGE-LLVKDONJSA-N -1 3 323.404 2.513 20 0 DFADHM Cc1nnc(N(C)C[C@@H](C)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737521782 598457415 /nfs/dbraw/zinc/45/74/15/598457415.db2.gz NSINMMTUQGWHGE-LLVKDONJSA-N -1 3 323.404 2.513 20 0 DFADHM CC(C)(C)SCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735642862 598457673 /nfs/dbraw/zinc/45/76/73/598457673.db2.gz IETVHOWNUSIQJK-UHFFFAOYSA-N -1 3 312.830 2.859 20 0 DFADHM CC(C)(C)SCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735642862 598457675 /nfs/dbraw/zinc/45/76/75/598457675.db2.gz IETVHOWNUSIQJK-UHFFFAOYSA-N -1 3 312.830 2.859 20 0 DFADHM CCc1nc(CNc2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000736704836 598468616 /nfs/dbraw/zinc/46/86/16/598468616.db2.gz UQWYLQRBJAQIJZ-UHFFFAOYSA-N -1 3 304.354 2.637 20 0 DFADHM CCc1nc(CNc2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000736704836 598468617 /nfs/dbraw/zinc/46/86/17/598468617.db2.gz UQWYLQRBJAQIJZ-UHFFFAOYSA-N -1 3 304.354 2.637 20 0 DFADHM COc1ncccc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737162723 598507412 /nfs/dbraw/zinc/50/74/12/598507412.db2.gz FGVWRFVUXUAKMS-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ncccc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737162723 598507413 /nfs/dbraw/zinc/50/74/13/598507413.db2.gz FGVWRFVUXUAKMS-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CCc1c(C)sc(NC(=O)CCCCOC)c1-c1nnn[n-]1 ZINC000736671349 598515752 /nfs/dbraw/zinc/51/57/52/598515752.db2.gz WXNUTNJRTDCIMO-UHFFFAOYSA-N -1 3 323.422 2.554 20 0 DFADHM CCc1c(C)sc(NC(=O)CCCCOC)c1-c1nn[n-]n1 ZINC000736671349 598515755 /nfs/dbraw/zinc/51/57/55/598515755.db2.gz WXNUTNJRTDCIMO-UHFFFAOYSA-N -1 3 323.422 2.554 20 0 DFADHM CCc1c(C)sc(NC(=O)c2occc2C)c1-c1nnn[n-]1 ZINC000736679493 598517943 /nfs/dbraw/zinc/51/79/43/598517943.db2.gz VOSQMYQQCVJKJM-UHFFFAOYSA-N -1 3 317.374 2.953 20 0 DFADHM CCc1c(C)sc(NC(=O)c2occc2C)c1-c1nn[n-]n1 ZINC000736679493 598517944 /nfs/dbraw/zinc/51/79/44/598517944.db2.gz VOSQMYQQCVJKJM-UHFFFAOYSA-N -1 3 317.374 2.953 20 0 DFADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736441110 598519605 /nfs/dbraw/zinc/51/96/05/598519605.db2.gz NLXPRTQHEMPHQH-SWLSCSKDSA-N -1 3 313.405 2.955 20 0 DFADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736441110 598519607 /nfs/dbraw/zinc/51/96/07/598519607.db2.gz NLXPRTQHEMPHQH-SWLSCSKDSA-N -1 3 313.405 2.955 20 0 DFADHM COc1cccc([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737122851 598572105 /nfs/dbraw/zinc/57/21/05/598572105.db2.gz WXQJWJBHDCWOHH-NSHDSACASA-N -1 3 323.356 2.618 20 0 DFADHM COc1cccc([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737122851 598572106 /nfs/dbraw/zinc/57/21/06/598572106.db2.gz WXQJWJBHDCWOHH-NSHDSACASA-N -1 3 323.356 2.618 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@H]1CCCc2ccccc21 ZINC000738192624 598575413 /nfs/dbraw/zinc/57/54/13/598575413.db2.gz SZLHYFPVLJXAAB-AWEZNQCLSA-N -1 3 319.368 2.925 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@H]1CCCc2ccccc21 ZINC000738192624 598575414 /nfs/dbraw/zinc/57/54/14/598575414.db2.gz SZLHYFPVLJXAAB-AWEZNQCLSA-N -1 3 319.368 2.925 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2cc[nH]c2c1 ZINC000738165420 598586883 /nfs/dbraw/zinc/58/68/83/598586883.db2.gz DHWQMGOUQMWJEI-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2cc[nH]c2c1 ZINC000738165420 598586885 /nfs/dbraw/zinc/58/68/85/598586885.db2.gz DHWQMGOUQMWJEI-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(CCc1cccs1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737861307 598589538 /nfs/dbraw/zinc/58/95/38/598589538.db2.gz RVOJCEDLSPQOIW-UHFFFAOYSA-N -1 3 317.349 2.639 20 0 DFADHM O=C(CCc1cccs1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737861307 598589539 /nfs/dbraw/zinc/58/95/39/598589539.db2.gz RVOJCEDLSPQOIW-UHFFFAOYSA-N -1 3 317.349 2.639 20 0 DFADHM Cc1ccsc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737441680 598592133 /nfs/dbraw/zinc/59/21/33/598592133.db2.gz JEBDOPXVBIHRCG-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1ccsc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737441680 598592134 /nfs/dbraw/zinc/59/21/34/598592134.db2.gz JEBDOPXVBIHRCG-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM COc1ccc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000737061664 598609442 /nfs/dbraw/zinc/60/94/42/598609442.db2.gz CGRBNNGXUQEEHB-UHFFFAOYSA-N -1 3 320.312 2.592 20 0 DFADHM COc1ccc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000737061664 598609444 /nfs/dbraw/zinc/60/94/44/598609444.db2.gz CGRBNNGXUQEEHB-UHFFFAOYSA-N -1 3 320.312 2.592 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC1(C)C ZINC000737290674 598623852 /nfs/dbraw/zinc/62/38/52/598623852.db2.gz FIVJCKARBPOGEL-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC1(C)C ZINC000737290674 598623854 /nfs/dbraw/zinc/62/38/54/598623854.db2.gz FIVJCKARBPOGEL-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM CCCCN(CC)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736457119 598630858 /nfs/dbraw/zinc/63/08/58/598630858.db2.gz PFVAAOBZTBYYFB-UHFFFAOYSA-N -1 3 306.345 2.660 20 0 DFADHM CCCCN(CC)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736457119 598630860 /nfs/dbraw/zinc/63/08/60/598630860.db2.gz PFVAAOBZTBYYFB-UHFFFAOYSA-N -1 3 306.345 2.660 20 0 DFADHM C[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736259017 598631873 /nfs/dbraw/zinc/63/18/73/598631873.db2.gz IIVMBEHINGWDPZ-UWVGGRQHSA-N -1 3 318.356 2.706 20 0 DFADHM C[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736259017 598631875 /nfs/dbraw/zinc/63/18/75/598631875.db2.gz IIVMBEHINGWDPZ-UWVGGRQHSA-N -1 3 318.356 2.706 20 0 DFADHM C[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CC(C)(C)O1 ZINC000736286296 598634512 /nfs/dbraw/zinc/63/45/12/598634512.db2.gz BKUWXTOLQYPLBB-VIFPVBQESA-N -1 3 307.785 2.524 20 0 DFADHM C[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CC(C)(C)O1 ZINC000736286296 598634513 /nfs/dbraw/zinc/63/45/13/598634513.db2.gz BKUWXTOLQYPLBB-VIFPVBQESA-N -1 3 307.785 2.524 20 0 DFADHM CCO[C@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736608057 598634906 /nfs/dbraw/zinc/63/49/06/598634906.db2.gz GXKMPFXSDXHYRF-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CCO[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736608057 598634908 /nfs/dbraw/zinc/63/49/08/598634908.db2.gz GXKMPFXSDXHYRF-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CCCCCCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736447673 598647135 /nfs/dbraw/zinc/64/71/35/598647135.db2.gz SSSZCQSGAAASIJ-UHFFFAOYSA-N -1 3 319.434 2.655 20 0 DFADHM CCCCCCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736447673 598647137 /nfs/dbraw/zinc/64/71/37/598647137.db2.gz SSSZCQSGAAASIJ-UHFFFAOYSA-N -1 3 319.434 2.655 20 0 DFADHM CCCC(C)(C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736415641 598658093 /nfs/dbraw/zinc/65/80/93/598658093.db2.gz HUMPNDAAOZFPLM-UHFFFAOYSA-N -1 3 319.434 2.654 20 0 DFADHM CCCC(C)(C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736415641 598658095 /nfs/dbraw/zinc/65/80/95/598658095.db2.gz HUMPNDAAOZFPLM-UHFFFAOYSA-N -1 3 319.434 2.654 20 0 DFADHM CCc1c(C)sc(NC(=O)c2cscn2)c1-c1nnn[n-]1 ZINC000736679721 598658306 /nfs/dbraw/zinc/65/83/06/598658306.db2.gz ZZHJMECJTBIIBA-UHFFFAOYSA-N -1 3 320.403 2.508 20 0 DFADHM CCc1c(C)sc(NC(=O)c2cscn2)c1-c1nn[n-]n1 ZINC000736679721 598658308 /nfs/dbraw/zinc/65/83/08/598658308.db2.gz ZZHJMECJTBIIBA-UHFFFAOYSA-N -1 3 320.403 2.508 20 0 DFADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735750638 598661449 /nfs/dbraw/zinc/66/14/49/598661449.db2.gz RDDKUSRHGOZCJX-GJZGRUSLSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735750638 598661448 /nfs/dbraw/zinc/66/14/48/598661448.db2.gz RDDKUSRHGOZCJX-GJZGRUSLSA-N -1 3 313.405 2.811 20 0 DFADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCC1CCCC1 ZINC000737947443 598714643 /nfs/dbraw/zinc/71/46/43/598714643.db2.gz KJEBWNCSDOYPJG-UHFFFAOYSA-N -1 3 318.402 2.692 20 0 DFADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCC1CCCC1 ZINC000737947443 598714644 /nfs/dbraw/zinc/71/46/44/598714644.db2.gz KJEBWNCSDOYPJG-UHFFFAOYSA-N -1 3 318.402 2.692 20 0 DFADHM C[C@@H](O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736150703 598745260 /nfs/dbraw/zinc/74/52/60/598745260.db2.gz KLOBISBVYWWBBO-SNVBAGLBSA-N -1 3 313.336 2.671 20 0 DFADHM CC[C@H](C)[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736333900 598774874 /nfs/dbraw/zinc/77/48/74/598774874.db2.gz VWOWQLMHYCOYMF-XPTSAGLGSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@H](C)[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736333900 598774875 /nfs/dbraw/zinc/77/48/75/598774875.db2.gz VWOWQLMHYCOYMF-XPTSAGLGSA-N -1 3 309.801 2.729 20 0 DFADHM Fc1cccc(CCNc2cccc(F)c2-c2nnn[n-]2)c1F ZINC000737665536 598775192 /nfs/dbraw/zinc/77/51/92/598775192.db2.gz HIYQWYUMXHJTIV-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1cccc(CCNc2cccc(F)c2-c2nn[n-]n2)c1F ZINC000737665536 598775194 /nfs/dbraw/zinc/77/51/94/598775194.db2.gz HIYQWYUMXHJTIV-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM CC(=O)Nc1ccc(C)cc1OCc1ccccc1-c1nnn[n-]1 ZINC000735485582 598788272 /nfs/dbraw/zinc/78/82/72/598788272.db2.gz WJXYCNQQAOYXPT-UHFFFAOYSA-N -1 3 323.356 2.713 20 0 DFADHM CC(=O)Nc1ccc(C)cc1OCc1ccccc1-c1nn[n-]n1 ZINC000735485582 598788274 /nfs/dbraw/zinc/78/82/74/598788274.db2.gz WJXYCNQQAOYXPT-UHFFFAOYSA-N -1 3 323.356 2.713 20 0 DFADHM CN(C(=O)[C@@H]1CCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736731563 598790818 /nfs/dbraw/zinc/79/08/18/598790818.db2.gz IKZSQDRLHXMHDM-MRXNPFEDSA-N -1 3 319.368 2.560 20 0 DFADHM CN(C(=O)[C@@H]1CCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736731563 598790819 /nfs/dbraw/zinc/79/08/19/598790819.db2.gz IKZSQDRLHXMHDM-MRXNPFEDSA-N -1 3 319.368 2.560 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@H]1CCc2ccccc21 ZINC000738211884 598791113 /nfs/dbraw/zinc/79/11/13/598791113.db2.gz UNOLDUPOMGFUFL-NSHDSACASA-N -1 3 311.370 2.597 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@H]1CCc2ccccc21 ZINC000738211884 598791114 /nfs/dbraw/zinc/79/11/14/598791114.db2.gz UNOLDUPOMGFUFL-NSHDSACASA-N -1 3 311.370 2.597 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C2CCSCC2)s1 ZINC000736679486 598791330 /nfs/dbraw/zinc/79/13/30/598791330.db2.gz VAHLLKFLJFSTEE-UHFFFAOYSA-N -1 3 323.447 2.572 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C2CCSCC2)s1 ZINC000736679486 598791332 /nfs/dbraw/zinc/79/13/32/598791332.db2.gz VAHLLKFLJFSTEE-UHFFFAOYSA-N -1 3 323.447 2.572 20 0 DFADHM Cc1c2ccccc2oc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737215053 598806031 /nfs/dbraw/zinc/80/60/31/598806031.db2.gz VPSXDNYNUIXVQO-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1c2ccccc2oc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737215053 598806033 /nfs/dbraw/zinc/80/60/33/598806033.db2.gz VPSXDNYNUIXVQO-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM CC[C@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736332517 598816968 /nfs/dbraw/zinc/81/69/68/598816968.db2.gz NQZYSSKNAZQIPO-CYBMUJFWSA-N -1 3 301.394 2.555 20 0 DFADHM CC[C@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736332517 598816970 /nfs/dbraw/zinc/81/69/70/598816970.db2.gz NQZYSSKNAZQIPO-CYBMUJFWSA-N -1 3 301.394 2.555 20 0 DFADHM CC[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)C(C)C ZINC000736332906 598819763 /nfs/dbraw/zinc/81/97/63/598819763.db2.gz OSCJCNZQBJWFJG-LLVKDONJSA-N -1 3 317.393 2.886 20 0 DFADHM CC[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)C(C)C ZINC000736332906 598819764 /nfs/dbraw/zinc/81/97/64/598819764.db2.gz OSCJCNZQBJWFJG-LLVKDONJSA-N -1 3 317.393 2.886 20 0 DFADHM CC[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)C(C)C ZINC000736332909 598819887 /nfs/dbraw/zinc/81/98/87/598819887.db2.gz OSCJCNZQBJWFJG-NSHDSACASA-N -1 3 317.393 2.886 20 0 DFADHM CC[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)C(C)C ZINC000736332909 598819889 /nfs/dbraw/zinc/81/98/89/598819889.db2.gz OSCJCNZQBJWFJG-NSHDSACASA-N -1 3 317.393 2.886 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1coc2ccccc12 ZINC000738251575 598822521 /nfs/dbraw/zinc/82/25/21/598822521.db2.gz RHKUECIKOPHOBU-UHFFFAOYSA-N -1 3 306.281 2.832 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000738251575 598822522 /nfs/dbraw/zinc/82/25/22/598822522.db2.gz RHKUECIKOPHOBU-UHFFFAOYSA-N -1 3 306.281 2.832 20 0 DFADHM COCCCCCSCc1cc(-c2nnn[n-]2)ccc1OC ZINC000821687235 607367592 /nfs/dbraw/zinc/36/75/92/607367592.db2.gz VMUYCOLWGAIOJX-UHFFFAOYSA-N -1 3 322.434 2.925 20 0 DFADHM COCCCCCSCc1cc(-c2nn[n-]n2)ccc1OC ZINC000821687235 607367594 /nfs/dbraw/zinc/36/75/94/607367594.db2.gz VMUYCOLWGAIOJX-UHFFFAOYSA-N -1 3 322.434 2.925 20 0 DFADHM CN(C(=O)CCc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733224 599304644 /nfs/dbraw/zinc/30/46/44/599304644.db2.gz QAJJUTQUXKHWQS-UHFFFAOYSA-N -1 3 313.386 2.524 20 0 DFADHM CN(C(=O)CCc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733224 599304646 /nfs/dbraw/zinc/30/46/46/599304646.db2.gz QAJJUTQUXKHWQS-UHFFFAOYSA-N -1 3 313.386 2.524 20 0 DFADHM CCn1c(CNc2ccccc2-c2nnn[n-]2)nc2ccccc21 ZINC000821563730 599306286 /nfs/dbraw/zinc/30/62/86/599306286.db2.gz CIZKZCKRUFGNJN-UHFFFAOYSA-N -1 3 319.372 2.848 20 0 DFADHM CCn1c(CNc2ccccc2-c2nn[n-]n2)nc2ccccc21 ZINC000821563730 599306289 /nfs/dbraw/zinc/30/62/89/599306289.db2.gz CIZKZCKRUFGNJN-UHFFFAOYSA-N -1 3 319.372 2.848 20 0 DFADHM CN(C(=O)CCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733815 599307670 /nfs/dbraw/zinc/30/76/70/599307670.db2.gz WYXPPNVIHKZNLZ-UHFFFAOYSA-N -1 3 321.384 2.852 20 0 DFADHM CN(C(=O)CCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733815 599307675 /nfs/dbraw/zinc/30/76/75/599307675.db2.gz WYXPPNVIHKZNLZ-UHFFFAOYSA-N -1 3 321.384 2.852 20 0 DFADHM CC[C@@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736327648 599328755 /nfs/dbraw/zinc/32/87/55/599328755.db2.gz RSOAWFNVSRWDHL-GHMZBOCLSA-N -1 3 319.434 2.576 20 0 DFADHM CC[C@@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736327648 599328753 /nfs/dbraw/zinc/32/87/53/599328753.db2.gz RSOAWFNVSRWDHL-GHMZBOCLSA-N -1 3 319.434 2.576 20 0 DFADHM CCCNC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736479120 599331333 /nfs/dbraw/zinc/33/13/33/599331333.db2.gz APZJKWRTSADEPG-MNOVXSKESA-N -1 3 319.434 2.576 20 0 DFADHM CCCNC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736479120 599331335 /nfs/dbraw/zinc/33/13/35/599331335.db2.gz APZJKWRTSADEPG-MNOVXSKESA-N -1 3 319.434 2.576 20 0 DFADHM CC(C)(C)CCNC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000819913721 599346184 /nfs/dbraw/zinc/34/61/84/599346184.db2.gz CQPXOSMHRAREMQ-UHFFFAOYSA-N -1 3 319.434 2.511 20 0 DFADHM CC(C)(C)CCNC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000819913721 599346187 /nfs/dbraw/zinc/34/61/87/599346187.db2.gz CQPXOSMHRAREMQ-UHFFFAOYSA-N -1 3 319.434 2.511 20 0 DFADHM CC(C)c1nnc(CSc2ccccc2-c2nnn[n-]2)o1 ZINC000820206486 599346572 /nfs/dbraw/zinc/34/65/72/599346572.db2.gz MRPRIHBKBJRZBI-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CC(C)c1nnc(CSc2ccccc2-c2nn[n-]n2)o1 ZINC000820206486 599346577 /nfs/dbraw/zinc/34/65/77/599346577.db2.gz MRPRIHBKBJRZBI-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM C[C@@H](Nc1ncnc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820461161 599354603 /nfs/dbraw/zinc/35/46/03/599354603.db2.gz FMIDYXVCKNJNPG-LLVKDONJSA-N -1 3 317.356 2.983 20 0 DFADHM C[C@@H](Nc1ncnc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820461161 599354605 /nfs/dbraw/zinc/35/46/05/599354605.db2.gz FMIDYXVCKNJNPG-LLVKDONJSA-N -1 3 317.356 2.983 20 0 DFADHM CN(Cc1ccco1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736829199 599395286 /nfs/dbraw/zinc/39/52/86/599395286.db2.gz WKXFABLGIYHLKZ-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CN(Cc1ccco1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736829199 599395289 /nfs/dbraw/zinc/39/52/89/599395289.db2.gz WKXFABLGIYHLKZ-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM FC(F)(F)c1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822723713 599397119 /nfs/dbraw/zinc/39/71/19/599397119.db2.gz LUMUDZXOEUCGQP-UHFFFAOYSA-N -1 3 323.278 2.768 20 0 DFADHM CC[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1OC ZINC000820927004 599403512 /nfs/dbraw/zinc/40/35/12/599403512.db2.gz YMRCSARFNYWNBH-ZDUSSCGKSA-N -1 3 313.361 2.709 20 0 DFADHM CC[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1OC ZINC000820927004 599403514 /nfs/dbraw/zinc/40/35/14/599403514.db2.gz YMRCSARFNYWNBH-ZDUSSCGKSA-N -1 3 313.361 2.709 20 0 DFADHM Cc1csc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000737452899 599405041 /nfs/dbraw/zinc/40/50/41/599405041.db2.gz QIXLCMIHCZEIOQ-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1csc(CCNc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000737452899 599405042 /nfs/dbraw/zinc/40/50/42/599405042.db2.gz QIXLCMIHCZEIOQ-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM COc1ncccc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737163230 599405151 /nfs/dbraw/zinc/40/51/51/599405151.db2.gz HHNGMKQRJLYYKN-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ncccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737163230 599405153 /nfs/dbraw/zinc/40/51/53/599405153.db2.gz HHNGMKQRJLYYKN-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CC(C)Oc1cccc(CNCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000820178424 599405522 /nfs/dbraw/zinc/40/55/22/599405522.db2.gz PLDOOHVROYHMAW-UHFFFAOYSA-N -1 3 313.361 2.537 20 0 DFADHM CCOc1cccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821426889 599419296 /nfs/dbraw/zinc/41/92/96/599419296.db2.gz JMNGJNMUJWWLIE-NSHDSACASA-N -1 3 313.361 2.709 20 0 DFADHM CCOc1ccccc1[C@H](C)NCc1ccc(-c2nnn[n-]2)o1 ZINC000821431410 599419715 /nfs/dbraw/zinc/41/97/15/599419715.db2.gz TTYYGYVAEOGVKG-NSHDSACASA-N -1 3 313.361 2.709 20 0 DFADHM CCOc1ccccc1[C@H](C)NCc1ccc(-c2nn[n-]n2)o1 ZINC000821431410 599419718 /nfs/dbraw/zinc/41/97/18/599419718.db2.gz TTYYGYVAEOGVKG-NSHDSACASA-N -1 3 313.361 2.709 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(F)cc1 ZINC000821749587 607375814 /nfs/dbraw/zinc/37/58/14/607375814.db2.gz TUTOJLTZTYBYKH-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(F)cc1 ZINC000821749587 607375816 /nfs/dbraw/zinc/37/58/16/607375816.db2.gz TUTOJLTZTYBYKH-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COCCCCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736980231 599420161 /nfs/dbraw/zinc/42/01/61/599420161.db2.gz YFHWIJBOWUVHHJ-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM COCCCCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736980231 599420163 /nfs/dbraw/zinc/42/01/63/599420163.db2.gz YFHWIJBOWUVHHJ-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM CC[C@H](C)[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820860799 599422252 /nfs/dbraw/zinc/42/22/52/599422252.db2.gz KQYXBODBTNRXKP-SRVKXCTJSA-N -1 3 316.409 2.662 20 0 DFADHM CC[C@H](C)[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820860799 599422255 /nfs/dbraw/zinc/42/22/55/599422255.db2.gz KQYXBODBTNRXKP-SRVKXCTJSA-N -1 3 316.409 2.662 20 0 DFADHM CC[C@@H](C)[C@](C)(O)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736326660 599436250 /nfs/dbraw/zinc/43/62/50/599436250.db2.gz CFPHWVWOMCMJCN-YMTOWFKASA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@](C)(NCc1ccc(-c2nn[n-]n2)o1)c1nc(C)cs1 ZINC000820853726 599447257 /nfs/dbraw/zinc/44/72/57/599447257.db2.gz OOFDYDYORVPHHB-AWEZNQCLSA-N -1 3 318.406 2.640 20 0 DFADHM Fc1ccc(CSCC2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000737647340 599452368 /nfs/dbraw/zinc/45/23/68/599452368.db2.gz CCPFBASDCSTTBG-UHFFFAOYSA-N -1 3 308.382 2.666 20 0 DFADHM Fc1ccc(CSCC2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000737647340 599452370 /nfs/dbraw/zinc/45/23/70/599452370.db2.gz CCPFBASDCSTTBG-UHFFFAOYSA-N -1 3 308.382 2.666 20 0 DFADHM Cc1n[nH]cc1CCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822015761 599470008 /nfs/dbraw/zinc/47/00/08/599470008.db2.gz OEYHBAMZUHHIEC-UHFFFAOYSA-N -1 3 317.784 2.596 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820869810 599473859 /nfs/dbraw/zinc/47/38/59/599473859.db2.gz IZTKSDJMIOOLSW-NEPJUHHUSA-N -1 3 316.409 2.615 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820869810 599473861 /nfs/dbraw/zinc/47/38/61/599473861.db2.gz IZTKSDJMIOOLSW-NEPJUHHUSA-N -1 3 316.409 2.615 20 0 DFADHM Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)s1 ZINC000822238849 599480572 /nfs/dbraw/zinc/48/05/72/599480572.db2.gz XMJRZKQPBCRNPS-UHFFFAOYSA-N -1 3 322.397 2.819 20 0 DFADHM Cc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)s1 ZINC000822238849 599480574 /nfs/dbraw/zinc/48/05/74/599480574.db2.gz XMJRZKQPBCRNPS-UHFFFAOYSA-N -1 3 322.397 2.819 20 0 DFADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CC[C@H](C)C3)c2c1 ZINC000822195519 599514108 /nfs/dbraw/zinc/51/41/08/599514108.db2.gz USCNOUQADNUTJO-JTQLQIEISA-N -1 3 308.389 2.878 20 0 DFADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CC[C@H](C)C3)c2c1 ZINC000822195519 599514111 /nfs/dbraw/zinc/51/41/11/599514111.db2.gz USCNOUQADNUTJO-JTQLQIEISA-N -1 3 308.389 2.878 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H](C)c2cccc(O)c2)n1 ZINC000822193012 599517375 /nfs/dbraw/zinc/51/73/75/599517375.db2.gz IIOFQVXDIBAGDQ-NSHDSACASA-N -1 3 310.361 2.757 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H](C)c2cccc(O)c2)n1 ZINC000822193012 599517376 /nfs/dbraw/zinc/51/73/76/599517376.db2.gz IIOFQVXDIBAGDQ-NSHDSACASA-N -1 3 310.361 2.757 20 0 DFADHM Cc1csc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000822409353 599521834 /nfs/dbraw/zinc/52/18/34/599521834.db2.gz QXTMZBKBFWSCAY-MRVPVSSYSA-N -1 3 304.354 2.944 20 0 DFADHM Cc1csc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000822409353 599521837 /nfs/dbraw/zinc/52/18/37/599521837.db2.gz QXTMZBKBFWSCAY-MRVPVSSYSA-N -1 3 304.354 2.944 20 0 DFADHM CO[C@@H](C)CCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736960636 599525364 /nfs/dbraw/zinc/52/53/64/599525364.db2.gz IBNOATPQPJIAKH-QMMMGPOBSA-N -1 3 315.299 2.722 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CC=CCC1 ZINC000822204467 599564268 /nfs/dbraw/zinc/56/42/68/599564268.db2.gz PQRPXBJMLLSTIN-GFCCVEGCSA-N -1 3 324.363 2.805 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CC=CCC1 ZINC000822204467 599564270 /nfs/dbraw/zinc/56/42/70/599564270.db2.gz PQRPXBJMLLSTIN-GFCCVEGCSA-N -1 3 324.363 2.805 20 0 DFADHM OCC[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccs1 ZINC000823717302 599573101 /nfs/dbraw/zinc/57/31/01/599573101.db2.gz DWIUWJSVJBUQGR-LBPRGKRZSA-N -1 3 319.365 2.603 20 0 DFADHM OCC[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccs1 ZINC000823717302 599573103 /nfs/dbraw/zinc/57/31/03/599573103.db2.gz DWIUWJSVJBUQGR-LBPRGKRZSA-N -1 3 319.365 2.603 20 0 DFADHM Cc1cccc2c(CCNc3ncccc3-c3nnn[n-]3)c[nH]c21 ZINC000822332002 599579456 /nfs/dbraw/zinc/57/94/56/599579456.db2.gz KONXJKPOHDSPCC-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1cccc2c(CCNc3ncccc3-c3nn[n-]n3)c[nH]c21 ZINC000822332002 599579458 /nfs/dbraw/zinc/57/94/58/599579458.db2.gz KONXJKPOHDSPCC-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM C[C@H]1CCC[C@H](C)N(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820696571 599584735 /nfs/dbraw/zinc/58/47/35/599584735.db2.gz AYRDXIJZQPUWCY-UWVGGRQHSA-N -1 3 306.801 2.930 20 0 DFADHM C[C@H]1CCC[C@H](C)N(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820696571 599584738 /nfs/dbraw/zinc/58/47/38/599584738.db2.gz AYRDXIJZQPUWCY-UWVGGRQHSA-N -1 3 306.801 2.930 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000822193336 599591769 /nfs/dbraw/zinc/59/17/69/599591769.db2.gz TYRLWPRDQOVGCT-GJZGRUSLSA-N -1 3 320.400 2.922 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000822193336 599591772 /nfs/dbraw/zinc/59/17/72/599591772.db2.gz TYRLWPRDQOVGCT-GJZGRUSLSA-N -1 3 320.400 2.922 20 0 DFADHM C[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000735572095 599606778 /nfs/dbraw/zinc/60/67/78/599606778.db2.gz RDDPLMAPMMXBFD-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM C[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000735572095 599606780 /nfs/dbraw/zinc/60/67/80/599606780.db2.gz RDDPLMAPMMXBFD-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM CCN(C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000736506324 599609464 /nfs/dbraw/zinc/60/94/64/599609464.db2.gz UNFKOXPISYHCTQ-LLVKDONJSA-N -1 3 314.393 2.512 20 0 DFADHM CCN(C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000736506324 599609465 /nfs/dbraw/zinc/60/94/65/599609465.db2.gz UNFKOXPISYHCTQ-LLVKDONJSA-N -1 3 314.393 2.512 20 0 DFADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1ccsc1 ZINC000822978233 599626526 /nfs/dbraw/zinc/62/65/26/599626526.db2.gz HDDNZMFBKCACQR-UHFFFAOYSA-N -1 3 314.370 2.604 20 0 DFADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1ccsc1 ZINC000822978233 599626527 /nfs/dbraw/zinc/62/65/27/599626527.db2.gz HDDNZMFBKCACQR-UHFFFAOYSA-N -1 3 314.370 2.604 20 0 DFADHM CCC(C)(C)COC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820848147 599627803 /nfs/dbraw/zinc/62/78/03/599627803.db2.gz RNRRJEYGCDPBEI-NSHDSACASA-N -1 3 318.377 2.613 20 0 DFADHM Cc1sc(NC(=O)[C@H](C)C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000822554162 599628738 /nfs/dbraw/zinc/62/87/38/599628738.db2.gz VNAPMELVFPMTNW-YFKPBYRVSA-N -1 3 319.312 2.682 20 0 DFADHM Cc1sc(NC(=O)[C@H](C)C(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000822554162 599628737 /nfs/dbraw/zinc/62/87/37/599628737.db2.gz VNAPMELVFPMTNW-YFKPBYRVSA-N -1 3 319.312 2.682 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccco1 ZINC000823303789 599635139 /nfs/dbraw/zinc/63/51/39/599635139.db2.gz VNMZDEYLGVQABO-UHFFFAOYSA-N -1 3 323.234 2.731 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccco1 ZINC000823303789 599635140 /nfs/dbraw/zinc/63/51/40/599635140.db2.gz VNMZDEYLGVQABO-UHFFFAOYSA-N -1 3 323.234 2.731 20 0 DFADHM CC[C@H]1C[C@@H](C)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820965852 599663906 /nfs/dbraw/zinc/66/39/06/599663906.db2.gz ACENUEGDHSVONK-MNOVXSKESA-N -1 3 316.434 2.684 20 0 DFADHM CC[C@H]1C[C@@H](C)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820965852 599663907 /nfs/dbraw/zinc/66/39/07/599663907.db2.gz ACENUEGDHSVONK-MNOVXSKESA-N -1 3 316.434 2.684 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820965848 599664035 /nfs/dbraw/zinc/66/40/35/599664035.db2.gz ACENUEGDHSVONK-GHMZBOCLSA-N -1 3 316.434 2.684 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820965848 599664036 /nfs/dbraw/zinc/66/40/36/599664036.db2.gz ACENUEGDHSVONK-GHMZBOCLSA-N -1 3 316.434 2.684 20 0 DFADHM CC(C)[C@@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820334185 599680742 /nfs/dbraw/zinc/68/07/42/599680742.db2.gz KOIKEJOCWVGMSC-VXGBXAGGSA-N -1 3 316.409 2.614 20 0 DFADHM CC(C)[C@@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820334185 599680743 /nfs/dbraw/zinc/68/07/43/599680743.db2.gz KOIKEJOCWVGMSC-VXGBXAGGSA-N -1 3 316.409 2.614 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cccc2cnccc21 ZINC000823449753 599684949 /nfs/dbraw/zinc/68/49/49/599684949.db2.gz BLJLQHZEDYLHFP-UHFFFAOYSA-N -1 3 317.308 2.634 20 0 DFADHM CC(C)C[C@H](CCO)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820056743 599686391 /nfs/dbraw/zinc/68/63/91/599686391.db2.gz RMJVMVQBVNCJPM-NSHDSACASA-N -1 3 323.828 2.977 20 0 DFADHM CC(C)C[C@H](CCO)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820056743 599686392 /nfs/dbraw/zinc/68/63/92/599686392.db2.gz RMJVMVQBVNCJPM-NSHDSACASA-N -1 3 323.828 2.977 20 0 DFADHM CO[C@]1(C)C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1(C)C ZINC000821677621 599687570 /nfs/dbraw/zinc/68/75/70/599687570.db2.gz AQHDQFUSMICHRJ-QMTHXVAHSA-N -1 3 322.800 2.531 20 0 DFADHM CO[C@]1(C)C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1(C)C ZINC000821677621 599687571 /nfs/dbraw/zinc/68/75/71/599687571.db2.gz AQHDQFUSMICHRJ-QMTHXVAHSA-N -1 3 322.800 2.531 20 0 DFADHM CO[C@]1(C)C[C@H](Nc2ccc(F)cc2-c2nnn[n-]2)C1(C)C ZINC000821677669 599688240 /nfs/dbraw/zinc/68/82/40/599688240.db2.gz BSSJYJKNQREBKB-SWLSCSKDSA-N -1 3 305.357 2.621 20 0 DFADHM CO[C@]1(C)C[C@H](Nc2ccc(F)cc2-c2nn[n-]n2)C1(C)C ZINC000821677669 599688241 /nfs/dbraw/zinc/68/82/41/599688241.db2.gz BSSJYJKNQREBKB-SWLSCSKDSA-N -1 3 305.357 2.621 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC/C(Cl)=C/Cl ZINC000821394115 599697224 /nfs/dbraw/zinc/69/72/24/599697224.db2.gz GPCXPDDDMGIXES-TWGQIWQCSA-N -1 3 315.160 2.963 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC/C(Cl)=C/Cl ZINC000821394115 599697225 /nfs/dbraw/zinc/69/72/25/599697225.db2.gz GPCXPDDDMGIXES-TWGQIWQCSA-N -1 3 315.160 2.963 20 0 DFADHM CC(C)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cn1 ZINC000820187814 607392074 /nfs/dbraw/zinc/39/20/74/607392074.db2.gz UAUBGDAQNRZIDF-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cn1 ZINC000820187814 607392076 /nfs/dbraw/zinc/39/20/76/607392076.db2.gz UAUBGDAQNRZIDF-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)(C)[C@@H]1CCCN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736250915 599792457 /nfs/dbraw/zinc/79/24/57/599792457.db2.gz LXPHJZWAEZTIKE-AWEZNQCLSA-N -1 3 304.390 2.834 20 0 DFADHM Cc1cncc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822399245 607405506 /nfs/dbraw/zinc/40/55/06/607405506.db2.gz DBAPKQPUAIRRQZ-VOTSOKGWSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1cncc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822399245 607405507 /nfs/dbraw/zinc/40/55/07/607405507.db2.gz DBAPKQPUAIRRQZ-VOTSOKGWSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1CC12CCCC2 ZINC000826253368 607407868 /nfs/dbraw/zinc/40/78/68/607407868.db2.gz NKCOHWXNOYZHLX-AWEZNQCLSA-N -1 3 312.373 2.799 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1CC12CCCC2 ZINC000826253368 607407870 /nfs/dbraw/zinc/40/78/70/607407870.db2.gz NKCOHWXNOYZHLX-AWEZNQCLSA-N -1 3 312.373 2.799 20 0 DFADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(C)(C)CC1 ZINC000736213986 599994199 /nfs/dbraw/zinc/99/41/99/599994199.db2.gz HGYMYAUCIHNSCF-ZDUSSCGKSA-N -1 3 318.417 2.512 20 0 DFADHM CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000737358820 599997688 /nfs/dbraw/zinc/99/76/88/599997688.db2.gz KWBMXNMKEQVVHH-INIZCTEOSA-N -1 3 324.380 2.518 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824457145 607439740 /nfs/dbraw/zinc/43/97/40/607439740.db2.gz FTBDXFPHLUOONP-CYBMUJFWSA-N -1 3 321.384 2.708 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824457145 607439742 /nfs/dbraw/zinc/43/97/42/607439742.db2.gz FTBDXFPHLUOONP-CYBMUJFWSA-N -1 3 321.384 2.708 20 0 DFADHM CCN(Cc1cnn(C)c1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737108151 600403893 /nfs/dbraw/zinc/40/38/93/600403893.db2.gz OEHGSDBIIVUTDC-AWEZNQCLSA-N -1 3 307.781 2.721 20 0 DFADHM CCC(C)(C)N(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736858864 600445598 /nfs/dbraw/zinc/44/55/98/600445598.db2.gz JICXIIKOCDLMTC-UHFFFAOYSA-N -1 3 324.446 2.994 20 0 DFADHM C[C@@H]1CCCCCN1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736784282 600454111 /nfs/dbraw/zinc/45/41/11/600454111.db2.gz KEZOLJIUGLXWOG-CYBMUJFWSA-N -1 3 304.390 2.612 20 0 DFADHM CC(C)[C@H](CO)N(Cc1occc1C(=O)[O-])Cc1ccccc1 ZINC000736357899 600556797 /nfs/dbraw/zinc/55/67/97/600556797.db2.gz DBONMLGOFPRLPB-INIZCTEOSA-N -1 3 317.385 2.997 20 0 DFADHM CN(CCc1cccs1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000830800481 600717330 /nfs/dbraw/zinc/71/73/30/600717330.db2.gz BHBJAUUHHWFQPN-UHFFFAOYSA-N -1 3 315.398 2.928 20 0 DFADHM O=C([O-])[C@H](NCCOc1ccc(F)cc1)c1ccccc1F ZINC000833164898 600737508 /nfs/dbraw/zinc/73/75/08/600737508.db2.gz CVDUSVGITPTSHA-OAHLLOKOSA-N -1 3 307.296 2.759 20 0 DFADHM O=C([O-])[C@@H](NCCOc1cccc(F)c1)c1ccccc1F ZINC000833165213 600738257 /nfs/dbraw/zinc/73/82/57/600738257.db2.gz GMMHUMQKQDBZPO-HNNXBMFYSA-N -1 3 307.296 2.759 20 0 DFADHM C[C@H](COCC(F)(F)F)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000827517291 600744104 /nfs/dbraw/zinc/74/41/04/600744104.db2.gz JINXHDFPISSXMP-LDYMZIIASA-N -1 3 309.259 2.508 20 0 DFADHM CN(C)Cc1cccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000212583711 600801634 /nfs/dbraw/zinc/80/16/34/600801634.db2.gz IQPYVBDSNJXBOU-UHFFFAOYSA-N -1 3 312.369 2.628 20 0 DFADHM O=C([O-])[C@H]1CC12CCN(C[C@@H](O)c1cccc(Cl)c1)CC2 ZINC000833178405 600829450 /nfs/dbraw/zinc/82/94/50/600829450.db2.gz QFBSVVSPRJYCHI-ZIAGYGMSSA-N -1 3 309.793 2.560 20 0 DFADHM CCN(Cc1occc1C(=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000829734839 600849879 /nfs/dbraw/zinc/84/98/79/600849879.db2.gz PJSMBSRWSNLBBI-HNNXBMFYSA-N -1 3 303.358 2.842 20 0 DFADHM COc1ccc(CN2CCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000826195432 607482890 /nfs/dbraw/zinc/48/28/90/607482890.db2.gz UKXBBPIPWUUOBA-UHFFFAOYSA-N -1 3 321.384 2.828 20 0 DFADHM COc1ccc(CN2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826195432 607482892 /nfs/dbraw/zinc/48/28/92/607482892.db2.gz UKXBBPIPWUUOBA-UHFFFAOYSA-N -1 3 321.384 2.828 20 0 DFADHM COc1ccc([C@H]2CCCN2C/C=C(/C)C(=O)[O-])c(OC)c1 ZINC000832272928 601048899 /nfs/dbraw/zinc/04/88/99/601048899.db2.gz MBKDZMQKSBDMTD-LDCOFTPGSA-N -1 3 305.374 2.872 20 0 DFADHM COc1ccc([C@@H]2CCCN2C/C=C(/C)C(=O)[O-])cc1OC ZINC000832272899 601167951 /nfs/dbraw/zinc/16/79/51/601167951.db2.gz LDRMBPCGQHTZEE-UNJUUPHPSA-N -1 3 305.374 2.872 20 0 DFADHM CC[C@@H](C)CN(CC)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000828747871 601181134 /nfs/dbraw/zinc/18/11/34/601181134.db2.gz ZZMMWKJXCONKJJ-GFCCVEGCSA-N -1 3 306.406 3.000 20 0 DFADHM CC(C)COc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000820102945 607491830 /nfs/dbraw/zinc/49/18/30/607491830.db2.gz MOASFUUFFMLPFQ-UHFFFAOYSA-N -1 3 324.388 2.909 20 0 DFADHM CC(C)COc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000820102945 607491832 /nfs/dbraw/zinc/49/18/32/607491832.db2.gz MOASFUUFFMLPFQ-UHFFFAOYSA-N -1 3 324.388 2.909 20 0 DFADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000832916952 601425484 /nfs/dbraw/zinc/42/54/84/601425484.db2.gz UFPYBTQTSGCJCT-HUUCEWRRSA-N -1 3 316.401 2.754 20 0 DFADHM CC(C)c1ccccc1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000827134113 601502565 /nfs/dbraw/zinc/50/25/65/601502565.db2.gz DUMUPBYRWLEEJE-VNHYZAJKSA-N -1 3 318.417 2.790 20 0 DFADHM Cc1oc(-c2cccs2)nc1CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000111255257 601511822 /nfs/dbraw/zinc/51/18/22/601511822.db2.gz REZAFDOUHBPGLW-MWLCHTKSSA-N -1 3 306.387 2.864 20 0 DFADHM C[C@H]1CN(Cc2ncc(-c3ccccc3F)o2)C[C@H]1C(=O)[O-] ZINC000828461637 601521775 /nfs/dbraw/zinc/52/17/75/601521775.db2.gz BAZLVUVDNJRTLV-CMPLNLGQSA-N -1 3 304.321 2.633 20 0 DFADHM Cc1oc(-c2ccccc2)nc1CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000833023811 601530231 /nfs/dbraw/zinc/53/02/31/601530231.db2.gz JCSXLIQSQIWZKX-RISCZKNCSA-N -1 3 300.358 2.803 20 0 DFADHM O=C([O-])c1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1F ZINC000833313111 601620414 /nfs/dbraw/zinc/62/04/14/601620414.db2.gz PEBNOTLJPKNYPL-LBPRGKRZSA-N -1 3 303.337 2.627 20 0 DFADHM Cc1nccn1[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000833010771 601631702 /nfs/dbraw/zinc/63/17/02/601631702.db2.gz LGVVMQUTRLKSRF-AWEZNQCLSA-N -1 3 317.364 2.866 20 0 DFADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)NCCC(C)(C)C)c1ccccc1 ZINC000826053589 601655400 /nfs/dbraw/zinc/65/54/00/601655400.db2.gz JRGNCGXRYCWAJH-XJKSGUPXSA-N -1 3 320.433 2.590 20 0 DFADHM Cc1nnc([C@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)o1 ZINC000833017584 601812079 /nfs/dbraw/zinc/81/20/79/601812079.db2.gz DVKKIZMTXIKKCI-NSHDSACASA-N -1 3 307.375 2.517 20 0 DFADHM Cc1cnn([C@@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)c1 ZINC000832986698 601824423 /nfs/dbraw/zinc/82/44/23/601824423.db2.gz JJQDTFOWZHAGSC-CYBMUJFWSA-N -1 3 305.403 2.788 20 0 DFADHM C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC(CCC(=O)[O-])CC1 ZINC000825977654 601842263 /nfs/dbraw/zinc/84/22/63/601842263.db2.gz LSGVBMHVTMODRJ-RBSFLKMASA-N -1 3 324.465 2.741 20 0 DFADHM Cc1cccc(-c2nnc([C@@H](C)N3CC[C@@](C)(C(=O)[O-])C3)o2)c1 ZINC000832960002 601911211 /nfs/dbraw/zinc/91/12/11/601911211.db2.gz DGRYPTWTJOIDAW-SJKOYZFVSA-N -1 3 315.373 2.903 20 0 DFADHM COc1ccc(CSCc2cc(C)on2)cc1-c1nnn[n-]1 ZINC000826208071 607534272 /nfs/dbraw/zinc/53/42/72/607534272.db2.gz RJPSWUHZENZSEE-UHFFFAOYSA-N -1 3 317.374 2.605 20 0 DFADHM COc1ccc(CSCc2cc(C)on2)cc1-c1nn[n-]n1 ZINC000826208071 607534274 /nfs/dbraw/zinc/53/42/74/607534274.db2.gz RJPSWUHZENZSEE-UHFFFAOYSA-N -1 3 317.374 2.605 20 0 DFADHM O=C([O-])NC[C@H]1CCN(Cc2cc(Cl)cc3cccnc32)C1 ZINC000740640999 601942350 /nfs/dbraw/zinc/94/23/50/601942350.db2.gz CSAXGDBGKUETFQ-LLVKDONJSA-N -1 3 319.792 2.978 20 0 DFADHM Cc1nc(C[C@@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)no1 ZINC000832998656 601947893 /nfs/dbraw/zinc/94/78/93/601947893.db2.gz LGOCOYXBYRDFKA-NSHDSACASA-N -1 3 321.402 2.592 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CSCc1nccs1 ZINC000826372078 607536403 /nfs/dbraw/zinc/53/64/03/607536403.db2.gz GTHNCJOMWAMGIT-UHFFFAOYSA-N -1 3 307.379 2.896 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CSCc1nccs1 ZINC000826372078 607536405 /nfs/dbraw/zinc/53/64/05/607536405.db2.gz GTHNCJOMWAMGIT-UHFFFAOYSA-N -1 3 307.379 2.896 20 0 DFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000827927778 602052533 /nfs/dbraw/zinc/05/25/33/602052533.db2.gz ARWUSAMSILKCOM-VXGBXAGGSA-N -1 3 302.330 2.587 20 0 DFADHM COc1ccc(CNc2ccccc2C(C)=O)cc1-c1nnn[n-]1 ZINC000826203855 607545297 /nfs/dbraw/zinc/54/52/97/607545297.db2.gz JDPPOHHDXLRKOO-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM COc1ccc(CNc2ccccc2C(C)=O)cc1-c1nn[n-]n1 ZINC000826203855 607545299 /nfs/dbraw/zinc/54/52/99/607545299.db2.gz JDPPOHHDXLRKOO-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM CC[C@](C)(CC(=O)[O-])NCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000828665351 602217043 /nfs/dbraw/zinc/21/70/43/602217043.db2.gz RGPBCBOCSSVGJF-OAHLLOKOSA-N -1 3 322.796 2.654 20 0 DFADHM CC[C@@](C)(CC(=O)[O-])NCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000828672899 602218366 /nfs/dbraw/zinc/21/83/66/602218366.db2.gz XTZJOLSATYJEKZ-HNNXBMFYSA-N -1 3 323.780 2.722 20 0 DFADHM O=C([O-])NC[C@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC000740621115 602456584 /nfs/dbraw/zinc/45/65/84/602456584.db2.gz ACPDVPHNPKLDGB-CQSZACIVSA-N -1 3 315.373 2.563 20 0 DFADHM COc1ccc(Cl)cc1CNC[C@H](NC(=O)[O-])C(C)C ZINC000739906664 602792157 /nfs/dbraw/zinc/79/21/57/602792157.db2.gz MNQJCAVHIYEABS-LBPRGKRZSA-N -1 3 300.786 2.730 20 0 DFADHM Cc1ccc(C(=O)N(CCN(C)C)CC(C)C)cc1NC(=O)[O-] ZINC000830185641 602862153 /nfs/dbraw/zinc/86/21/53/602862153.db2.gz CUXYKQLOMKPSGC-UHFFFAOYSA-N -1 3 321.421 2.745 20 0 DFADHM CC1=C(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC000824852051 607593000 /nfs/dbraw/zinc/59/30/00/607593000.db2.gz IDQSWWYPTPNQMA-UHFFFAOYSA-N -1 3 303.753 2.959 20 0 DFADHM CC1=C(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC000824852051 607593002 /nfs/dbraw/zinc/59/30/02/607593002.db2.gz IDQSWWYPTPNQMA-UHFFFAOYSA-N -1 3 303.753 2.959 20 0 DFADHM Cc1cc(C)nc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826265742 607594457 /nfs/dbraw/zinc/59/44/57/607594457.db2.gz LKUUGTYMQTYOBQ-BQYQJAHWSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1cc(C)nc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826265742 607594458 /nfs/dbraw/zinc/59/44/58/607594458.db2.gz LKUUGTYMQTYOBQ-BQYQJAHWSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNCCN(C)C(=O)[O-] ZINC000830839374 603161642 /nfs/dbraw/zinc/16/16/42/603161642.db2.gz HMVWUJJWPKWPBR-UHFFFAOYSA-N -1 3 322.796 2.534 20 0 DFADHM CN(C)Cc1cccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000739615079 603167903 /nfs/dbraw/zinc/16/79/03/603167903.db2.gz LRZDIEPWRXQMAV-UKRRQHHQSA-N -1 3 319.405 2.513 20 0 DFADHM CC[C@H](SC)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825159107 607616335 /nfs/dbraw/zinc/61/63/35/607616335.db2.gz JDCCYOOLJFQFIR-CABZTGNLSA-N -1 3 306.391 2.613 20 0 DFADHM CC[C@H](SC)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825159107 607616336 /nfs/dbraw/zinc/61/63/36/607616336.db2.gz JDCCYOOLJFQFIR-CABZTGNLSA-N -1 3 306.391 2.613 20 0 DFADHM CN(C[C@H](O)c1ccc2ccccc2c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828168552 603483170 /nfs/dbraw/zinc/48/31/70/603483170.db2.gz JPRIWGRRABRFJA-IRXDYDNUSA-N -1 3 314.385 2.557 20 0 DFADHM CN(Cc1ccccc1C(F)(F)F)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828386547 603484034 /nfs/dbraw/zinc/48/40/34/603484034.db2.gz BRCOIBWGPFKBKT-LLVKDONJSA-N -1 3 302.296 2.890 20 0 DFADHM CN(Cc1ccc(F)c2cccnc12)[C@H]1CCN(C(=O)[O-])C1 ZINC000828356384 603486935 /nfs/dbraw/zinc/48/69/35/603486935.db2.gz ZSYUJFAJHANVLO-LBPRGKRZSA-N -1 3 303.337 2.558 20 0 DFADHM CN(Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828360325 603495643 /nfs/dbraw/zinc/49/56/43/603495643.db2.gz VRKMPMCJTUIAMJ-NSHDSACASA-N -1 3 318.295 2.769 20 0 DFADHM COc1cc(CN(C)[C@@H]2CCN(C(=O)[O-])C2)ccc1SC ZINC000829114992 603501985 /nfs/dbraw/zinc/50/19/85/603501985.db2.gz DSYNEHCIEFKATI-GFCCVEGCSA-N -1 3 310.419 2.601 20 0 DFADHM CO[C@@H](CNCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000828848756 603541608 /nfs/dbraw/zinc/54/16/08/603541608.db2.gz AVPUDDPDOLSCPS-AWEZNQCLSA-N -1 3 301.346 2.649 20 0 DFADHM CCC(CC)(CNCc1cn2cc(Cl)ccc2n1)NC(=O)[O-] ZINC000826560930 603603026 /nfs/dbraw/zinc/60/30/26/603603026.db2.gz CLNGUXNGISTFGA-UHFFFAOYSA-N -1 3 324.812 2.904 20 0 DFADHM CCN(Cc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000825428253 607641709 /nfs/dbraw/zinc/64/17/09/607641709.db2.gz HDEVSPSUIXFISB-UHFFFAOYSA-N -1 3 309.373 2.902 20 0 DFADHM CCN(Cc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000825428253 607641710 /nfs/dbraw/zinc/64/17/10/607641710.db2.gz HDEVSPSUIXFISB-UHFFFAOYSA-N -1 3 309.373 2.902 20 0 DFADHM O=C([O-])N1CCc2cccc(CNC[C@@H](O)c3ccsc3)c21 ZINC000832086086 603862424 /nfs/dbraw/zinc/86/24/24/603862424.db2.gz AKDYREYQLISBJL-CQSZACIVSA-N -1 3 318.398 2.612 20 0 DFADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC000825422404 603864725 /nfs/dbraw/zinc/86/47/25/603864725.db2.gz IFGVOHXLUXLCQU-AVGNSLFASA-N -1 3 319.405 2.827 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H](C)c1ccco1 ZINC000826243839 607661697 /nfs/dbraw/zinc/66/16/97/607661697.db2.gz XJVXGHQLENCGEL-LLVKDONJSA-N -1 3 311.345 2.601 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H](C)c1ccco1 ZINC000826243839 607661699 /nfs/dbraw/zinc/66/16/99/607661699.db2.gz XJVXGHQLENCGEL-LLVKDONJSA-N -1 3 311.345 2.601 20 0 DFADHM C[C@H](c1ccccn1)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000825645442 603961099 /nfs/dbraw/zinc/96/10/99/603961099.db2.gz OLFDIHNZYANBDX-CZUORRHYSA-N -1 3 303.406 2.997 20 0 DFADHM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cc(CN(C)C)ccc1C ZINC000826720629 604082906 /nfs/dbraw/zinc/08/29/06/604082906.db2.gz LCJFKPUJEQLEBT-QGZVFWFLSA-N -1 3 321.421 2.822 20 0 DFADHM Cc1ccc(CN(C)C)cc1NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000830307353 604083836 /nfs/dbraw/zinc/08/38/36/604083836.db2.gz BUWYSVQDNBSZEE-CQSZACIVSA-N -1 3 319.405 2.528 20 0 DFADHM Cc1ccc(CN(C)C)cc1NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000830307351 604083841 /nfs/dbraw/zinc/08/38/41/604083841.db2.gz BUWYSVQDNBSZEE-AWEZNQCLSA-N -1 3 319.405 2.528 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1(c2ccccc2)CC1 ZINC000826246802 607680082 /nfs/dbraw/zinc/68/00/82/607680082.db2.gz LTYZECUOWBAQLI-UHFFFAOYSA-N -1 3 319.368 2.594 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1(c2ccccc2)CC1 ZINC000826246802 607680084 /nfs/dbraw/zinc/68/00/84/607680084.db2.gz LTYZECUOWBAQLI-UHFFFAOYSA-N -1 3 319.368 2.594 20 0 DFADHM Fc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000826376597 607681760 /nfs/dbraw/zinc/68/17/60/607681760.db2.gz KNTSITHEALHTBH-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000826376597 607681762 /nfs/dbraw/zinc/68/17/62/607681762.db2.gz KNTSITHEALHTBH-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824347530 607683681 /nfs/dbraw/zinc/68/36/81/607683681.db2.gz CCGHBFQPQICMDF-LLVKDONJSA-N -1 3 324.388 2.809 20 0 DFADHM CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824347530 607683683 /nfs/dbraw/zinc/68/36/83/607683683.db2.gz CCGHBFQPQICMDF-LLVKDONJSA-N -1 3 324.388 2.809 20 0 DFADHM Cc1c([C@@H](C)N[C@H]2CCN(C(=O)[O-])C2)cnn1-c1ccccc1 ZINC000829858789 604317739 /nfs/dbraw/zinc/31/77/39/604317739.db2.gz DUGRTCIITSCBSY-OCCSQVGLSA-N -1 3 314.389 2.584 20 0 DFADHM O=C([O-])N1CC[C@@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000831947749 604318850 /nfs/dbraw/zinc/31/88/50/604318850.db2.gz LDVHBCCQUAFIDG-TZMCWYRMSA-N -1 3 302.374 2.775 20 0 DFADHM Cc1nc2ccccn2c1CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000830791720 604320138 /nfs/dbraw/zinc/32/01/38/604320138.db2.gz AJDALNZEEJUZSR-LBPRGKRZSA-N -1 3 316.405 2.511 20 0 DFADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cc(F)c(F)c(F)c1 ZINC000825480217 604327386 /nfs/dbraw/zinc/32/73/86/604327386.db2.gz URQSVJTWSNMECZ-SCZZXKLOSA-N -1 3 302.296 2.897 20 0 DFADHM Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000830838943 604329643 /nfs/dbraw/zinc/32/96/43/604329643.db2.gz CAKLYSPVFPBYFK-AAEUAGOBSA-N -1 3 308.426 2.740 20 0 DFADHM COc1ccc([C@H](C)NC[C@H](NC(=O)[O-])C(C)C)c(OC)c1 ZINC000829301701 604335334 /nfs/dbraw/zinc/33/53/34/604335334.db2.gz CVYQESPONWUXAP-FZMZJTMJSA-N -1 3 310.394 2.647 20 0 DFADHM COc1cccc2c1CC[C@@H]2NCc1ccc(NC(=O)[O-])nc1 ZINC000829579684 604377921 /nfs/dbraw/zinc/37/79/21/604377921.db2.gz CSLGCJUFJUQGCE-AWEZNQCLSA-N -1 3 313.357 2.957 20 0 DFADHM CN(c1ccccc1)c1ccc(CNC2CN(C(=O)[O-])C2)cc1 ZINC000830888082 604420223 /nfs/dbraw/zinc/42/02/23/604420223.db2.gz FKAPFHVYKLITBZ-UHFFFAOYSA-N -1 3 311.385 2.906 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000826245343 607692294 /nfs/dbraw/zinc/69/22/94/607692294.db2.gz VDUXHJTYFQVFPP-AWEZNQCLSA-N -1 3 323.356 2.745 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000826245343 607692295 /nfs/dbraw/zinc/69/22/95/607692295.db2.gz VDUXHJTYFQVFPP-AWEZNQCLSA-N -1 3 323.356 2.745 20 0 DFADHM COc1ccsc1CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000832636685 604466667 /nfs/dbraw/zinc/46/66/67/604466667.db2.gz BTUZGHQFRNKGDX-ZDUSSCGKSA-N -1 3 303.383 2.768 20 0 DFADHM CCc1ccc([C@@H](COC)NCC2CCN(C(=O)[O-])CC2)o1 ZINC000827578250 604515464 /nfs/dbraw/zinc/51/54/64/604515464.db2.gz WZRYQYUTDOEBJX-CQSZACIVSA-N -1 3 310.394 2.509 20 0 DFADHM Clc1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)o1 ZINC000826352208 607704746 /nfs/dbraw/zinc/70/47/46/607704746.db2.gz SDZMJUDYYWAPAZ-UHFFFAOYSA-N -1 3 315.764 2.892 20 0 DFADHM O=C([O-])[C@@H]1CC12CCN(Cc1cccc3c1OCCCO3)CC2 ZINC000833772044 604648040 /nfs/dbraw/zinc/64/80/40/604648040.db2.gz XFESWOLOYQLJDT-AWEZNQCLSA-N -1 3 317.385 2.535 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc(CN(CCC(=O)[O-])C[C@H]2CCCO2)o1 ZINC000833606179 604656708 /nfs/dbraw/zinc/65/67/08/604656708.db2.gz WSNLHWQBZNDMRZ-NFAWXSAZSA-N -1 3 307.390 2.859 20 0 DFADHM C[C@@H](Oc1ccc(CN(C)CCOC(C)(C)C)cc1)C(=O)[O-] ZINC000833539165 604664657 /nfs/dbraw/zinc/66/46/57/604664657.db2.gz WZXYGJIYVOBRPS-CYBMUJFWSA-N -1 3 309.406 2.785 20 0 DFADHM O=C([O-])c1ccc(CN(CCCO)Cc2ccccc2)s1 ZINC000833315431 604676410 /nfs/dbraw/zinc/67/64/10/604676410.db2.gz VBNSHKKGLKZGDC-UHFFFAOYSA-N -1 3 305.399 2.831 20 0 DFADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825159819 607711626 /nfs/dbraw/zinc/71/16/26/607711626.db2.gz UJRURXNSHLFETG-OAHLLOKOSA-N -1 3 324.388 2.808 20 0 DFADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825159819 607711627 /nfs/dbraw/zinc/71/16/27/607711627.db2.gz UJRURXNSHLFETG-OAHLLOKOSA-N -1 3 324.388 2.808 20 0 DFADHM Cc1nc2sccn2c1CN(C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000830805036 604834316 /nfs/dbraw/zinc/83/43/16/604834316.db2.gz RFOZPOXSVBPALJ-GFCCVEGCSA-N -1 3 322.434 2.526 20 0 DFADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)[C@@H]3CCCCC[C@H]32)C1 ZINC000833421406 604865531 /nfs/dbraw/zinc/86/55/31/604865531.db2.gz NCDVLETXWRJAQX-RBSFLKMASA-N -1 3 322.449 2.558 20 0 DFADHM CN(C)Cc1ccccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830619733 604928709 /nfs/dbraw/zinc/92/87/09/604928709.db2.gz JGGXXLWQWGLCRB-UHFFFAOYSA-N -1 3 316.332 2.838 20 0 DFADHM C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833408089 604933652 /nfs/dbraw/zinc/93/36/52/604933652.db2.gz GICWGPRPUDTVAC-KBPBESRZSA-N -1 3 318.417 2.836 20 0 DFADHM COc1ccc([C@@H](N[C@@H](C(=O)[O-])c2cccnc2)C2CC2)cc1 ZINC000832245651 604973081 /nfs/dbraw/zinc/97/30/81/604973081.db2.gz NLMODKNWHVHRLD-DLBZAZTESA-N -1 3 312.369 2.957 20 0 DFADHM CC(C)OCc1ccccc1CN[C@@H](C(=O)[O-])c1cccnc1 ZINC000827033508 604990422 /nfs/dbraw/zinc/99/04/22/604990422.db2.gz LJUYRIWYASRECT-QGZVFWFLSA-N -1 3 314.385 2.922 20 0 DFADHM CCOCc1ccccc1CN[C@H](C(=O)[O-])c1cccnc1 ZINC000830021623 604991249 /nfs/dbraw/zinc/99/12/49/604991249.db2.gz KMOLZUHMDBWKHW-INIZCTEOSA-N -1 3 300.358 2.534 20 0 DFADHM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(-n2cccn2)cc1 ZINC000827717037 605005687 /nfs/dbraw/zinc/00/56/87/605005687.db2.gz DENNWSOZWDMXLA-GUYCJALGSA-N -1 3 322.368 2.744 20 0 DFADHM C[C@]1(NCc2nnc(-c3ccccc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833570318 605067390 /nfs/dbraw/zinc/06/73/90/605067390.db2.gz QWZSDFZUOFLOGS-DYVFJYSZSA-N -1 3 315.373 2.860 20 0 DFADHM 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/nfs/dbraw/zinc/24/32/52/606243252.db2.gz VADHGMBXQLCHFP-IUODEOHRSA-N -1 3 321.812 2.873 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC000821465052 606244923 /nfs/dbraw/zinc/24/49/23/606244923.db2.gz AKRJJJSEQDVQEB-QWRGUYRKSA-N -1 3 317.418 2.784 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC000821465052 606244925 /nfs/dbraw/zinc/24/49/25/606244925.db2.gz AKRJJJSEQDVQEB-QWRGUYRKSA-N -1 3 317.418 2.784 20 0 DFADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819906086 606254063 /nfs/dbraw/zinc/25/40/63/606254063.db2.gz CKVGKLMBUUXXAS-NEPJUHHUSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819906086 606254064 /nfs/dbraw/zinc/25/40/64/606254064.db2.gz CKVGKLMBUUXXAS-NEPJUHHUSA-N -1 3 316.409 2.530 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821476889 606263357 /nfs/dbraw/zinc/26/33/57/606263357.db2.gz SWBZAPHXXJPGLT-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM 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CC=CC=CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820832751 606414155 /nfs/dbraw/zinc/41/41/55/606414155.db2.gz NJJWYYMBQNTWHR-ICWBMWKASA-N -1 3 303.753 2.615 20 0 DFADHM CC=CC=CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820832751 606414157 /nfs/dbraw/zinc/41/41/57/606414157.db2.gz NJJWYYMBQNTWHR-ICWBMWKASA-N -1 3 303.753 2.615 20 0 DFADHM CC(C)[C@H]1OCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000820046782 606426977 /nfs/dbraw/zinc/42/69/77/606426977.db2.gz UEDZLYVMDBQVBB-SWLSCSKDSA-N -1 3 319.384 2.869 20 0 DFADHM CCc1ccc(CC)c(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000821483132 606459909 /nfs/dbraw/zinc/45/99/09/606459909.db2.gz YPLNDUFKYVXBMK-UHFFFAOYSA-N -1 3 322.372 2.639 20 0 DFADHM CCc1ccc(CC)c(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000821483132 606459910 /nfs/dbraw/zinc/45/99/10/606459910.db2.gz YPLNDUFKYVXBMK-UHFFFAOYSA-N -1 3 322.372 2.639 20 0 DFADHM O=C(Oc1ccc(Cl)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823455048 606461086 /nfs/dbraw/zinc/46/10/86/606461086.db2.gz VXJVFSBSYKPGBA-UHFFFAOYSA-N -1 3 306.734 2.801 20 0 DFADHM O=C(Oc1ccc(Cl)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823455048 606461087 /nfs/dbraw/zinc/46/10/87/606461087.db2.gz VXJVFSBSYKPGBA-UHFFFAOYSA-N -1 3 306.734 2.801 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)[C@@H](C)C1 ZINC000820690395 606466802 /nfs/dbraw/zinc/46/68/02/606466802.db2.gz LDNXOFMHPBSCAY-YWVKMMECSA-N -1 3 306.391 2.910 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)[C@@H](C)C1 ZINC000820690395 606466804 /nfs/dbraw/zinc/46/68/04/606466804.db2.gz LDNXOFMHPBSCAY-YWVKMMECSA-N -1 3 306.391 2.910 20 0 DFADHM C[C@H]1C[C@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C[C@@H](C)C1 ZINC000820649098 606466879 /nfs/dbraw/zinc/46/68/79/606466879.db2.gz IMFMXVZYYPWSCY-JZYVYDRUSA-N -1 3 306.391 2.910 20 0 DFADHM C[C@H]1C[C@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C[C@@H](C)C1 ZINC000820649098 606466880 /nfs/dbraw/zinc/46/68/80/606466880.db2.gz IMFMXVZYYPWSCY-JZYVYDRUSA-N -1 3 306.391 2.910 20 0 DFADHM CC(C)[C@H]1OCC[C@@H]1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820047524 606471891 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C[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccncc1 ZINC000820275271 606477090 /nfs/dbraw/zinc/47/70/90/606477090.db2.gz OMEINEDNRFVURV-VIFPVBQESA-N -1 3 316.315 2.756 20 0 DFADHM C[C@@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccncc1 ZINC000820275271 606477092 /nfs/dbraw/zinc/47/70/92/606477092.db2.gz OMEINEDNRFVURV-VIFPVBQESA-N -1 3 316.315 2.756 20 0 DFADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Cl)c1 ZINC000823109034 606486360 /nfs/dbraw/zinc/48/63/60/606486360.db2.gz VVWZVCMQVYEDPQ-UHFFFAOYSA-N -1 3 313.748 2.701 20 0 DFADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Cl)c1 ZINC000823109034 606486362 /nfs/dbraw/zinc/48/63/62/606486362.db2.gz VVWZVCMQVYEDPQ-UHFFFAOYSA-N -1 3 313.748 2.701 20 0 DFADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC1CCCCCCC1 ZINC000823092040 606487548 /nfs/dbraw/zinc/48/75/48/606487548.db2.gz AEGUIWPRFCVKPL-UHFFFAOYSA-N -1 3 313.405 2.638 20 0 DFADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC1CCCCCCC1 ZINC000823092040 606487549 /nfs/dbraw/zinc/48/75/49/606487549.db2.gz AEGUIWPRFCVKPL-UHFFFAOYSA-N -1 3 313.405 2.638 20 0 DFADHM CCc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821486383 606487617 /nfs/dbraw/zinc/48/76/17/606487617.db2.gz DZTFMFOFKRZDQG-UHFFFAOYSA-N -1 3 307.357 2.610 20 0 DFADHM CCc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821486383 606487619 /nfs/dbraw/zinc/48/76/19/606487619.db2.gz DZTFMFOFKRZDQG-UHFFFAOYSA-N -1 3 307.357 2.610 20 0 DFADHM C[C@@H]1CC=CC[C@@H]1COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820678223 606488454 /nfs/dbraw/zinc/48/84/54/606488454.db2.gz UBAHLGOIRJZSIC-IUODEOHRSA-N -1 3 312.373 2.555 20 0 DFADHM C[C@@H]1CC=CC[C@@H]1COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820678223 606488456 /nfs/dbraw/zinc/48/84/56/606488456.db2.gz UBAHLGOIRJZSIC-IUODEOHRSA-N -1 3 312.373 2.555 20 0 DFADHM Cc1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822229359 606491129 /nfs/dbraw/zinc/49/11/29/606491129.db2.gz SEDYHYWJWFYUAG-SNVBAGLBSA-N -1 3 313.386 2.728 20 0 DFADHM Cc1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822229359 606491131 /nfs/dbraw/zinc/49/11/31/606491131.db2.gz SEDYHYWJWFYUAG-SNVBAGLBSA-N -1 3 313.386 2.728 20 0 DFADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820979396 606493074 /nfs/dbraw/zinc/49/30/74/606493074.db2.gz HRMPUYDUELNGFL-MWLCHTKSSA-N -1 3 305.407 2.627 20 0 DFADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820979396 606493076 /nfs/dbraw/zinc/49/30/76/606493076.db2.gz HRMPUYDUELNGFL-MWLCHTKSSA-N -1 3 305.407 2.627 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cs2)c2ccccc21 ZINC000820744215 606494149 /nfs/dbraw/zinc/49/41/49/606494149.db2.gz WZYIOYFXROWKPB-SECBINFHSA-N -1 3 311.370 2.692 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc21 ZINC000820744215 606494151 /nfs/dbraw/zinc/49/41/51/606494151.db2.gz WZYIOYFXROWKPB-SECBINFHSA-N -1 3 311.370 2.692 20 0 DFADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H]1C1CCCC1 ZINC000823472597 606498334 /nfs/dbraw/zinc/49/83/34/606498334.db2.gz RUVJZMFBCXVTNV-LBPRGKRZSA-N -1 3 317.418 2.723 20 0 DFADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H]1C1CCCC1 ZINC000823472597 606498336 /nfs/dbraw/zinc/49/83/36/606498336.db2.gz RUVJZMFBCXVTNV-LBPRGKRZSA-N -1 3 317.418 2.723 20 0 DFADHM CCCCN(CCCC)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821065442 606503240 /nfs/dbraw/zinc/50/32/40/606503240.db2.gz IIIAGNHDAKKOCJ-UHFFFAOYSA-N -1 3 315.421 2.838 20 0 DFADHM CCCCN(CCCC)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821065442 606503242 /nfs/dbraw/zinc/50/32/42/606503242.db2.gz IIIAGNHDAKKOCJ-UHFFFAOYSA-N -1 3 315.421 2.838 20 0 DFADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820649718 606535222 /nfs/dbraw/zinc/53/52/22/606535222.db2.gz OBJSJSLHIVTEBH-MWLCHTKSSA-N -1 3 319.434 2.873 20 0 DFADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820649718 606535224 /nfs/dbraw/zinc/53/52/24/606535224.db2.gz OBJSJSLHIVTEBH-MWLCHTKSSA-N -1 3 319.434 2.873 20 0 DFADHM Cc1cccc(C)c1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822293526 606564143 /nfs/dbraw/zinc/56/41/43/606564143.db2.gz AYYLQAAFUODBPC-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM Cc1cccc(C)c1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822293526 606564144 /nfs/dbraw/zinc/56/41/44/606564144.db2.gz AYYLQAAFUODBPC-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM C[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820710648 606569886 /nfs/dbraw/zinc/56/98/86/606569886.db2.gz RJKZZVPBGRCGHE-QMMMGPOBSA-N -1 3 306.757 2.536 20 0 DFADHM C[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820710648 606569888 /nfs/dbraw/zinc/56/98/88/606569888.db2.gz RJKZZVPBGRCGHE-QMMMGPOBSA-N -1 3 306.757 2.536 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000822217491 606574477 /nfs/dbraw/zinc/57/44/77/606574477.db2.gz GBMDRLGOKZTQCX-NSHDSACASA-N -1 3 314.393 2.827 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000822217491 606574478 /nfs/dbraw/zinc/57/44/78/606574478.db2.gz GBMDRLGOKZTQCX-NSHDSACASA-N -1 3 314.393 2.827 20 0 DFADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820455936 606593595 /nfs/dbraw/zinc/59/35/95/606593595.db2.gz OMEMRXFMYWUKQO-XMZIXOGTSA-N -1 3 322.372 2.627 20 0 DFADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820455936 606593597 /nfs/dbraw/zinc/59/35/97/606593597.db2.gz OMEMRXFMYWUKQO-XMZIXOGTSA-N -1 3 322.372 2.627 20 0 DFADHM CO[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C1(C)C ZINC000821678603 606609868 /nfs/dbraw/zinc/60/98/68/606609868.db2.gz PYGAMIDCMMADDT-KBPBESRZSA-N -1 3 324.388 2.640 20 0 DFADHM CO[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C1(C)C ZINC000821678603 606609870 /nfs/dbraw/zinc/60/98/70/606609870.db2.gz PYGAMIDCMMADDT-KBPBESRZSA-N -1 3 324.388 2.640 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)/C=C1\CC[C@H](C)C1 ZINC000821699072 606618202 /nfs/dbraw/zinc/61/82/02/606618202.db2.gz APKWIFCGKVZKHV-NGPGYTDTSA-N -1 3 314.345 2.527 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)/C=C1\CC[C@H](C)C1 ZINC000821699072 606618203 /nfs/dbraw/zinc/61/82/03/606618203.db2.gz APKWIFCGKVZKHV-NGPGYTDTSA-N -1 3 314.345 2.527 20 0 DFADHM CC(C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)=C1CCCC1 ZINC000819856795 606618622 /nfs/dbraw/zinc/61/86/22/606618622.db2.gz MHHDFCUZJCGWDK-UHFFFAOYSA-N -1 3 311.389 2.716 20 0 DFADHM CC(C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)=C1CCCC1 ZINC000819856795 606618624 /nfs/dbraw/zinc/61/86/24/606618624.db2.gz MHHDFCUZJCGWDK-UHFFFAOYSA-N -1 3 311.389 2.716 20 0 DFADHM CC(C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)=C1CCCC1 ZINC000819854247 606618709 /nfs/dbraw/zinc/61/87/09/606618709.db2.gz BHGVHQNSRBEJDE-GFCCVEGCSA-N -1 3 311.389 2.934 20 0 DFADHM CC(C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)=C1CCCC1 ZINC000819854247 606618712 /nfs/dbraw/zinc/61/87/12/606618712.db2.gz BHGVHQNSRBEJDE-GFCCVEGCSA-N -1 3 311.389 2.934 20 0 DFADHM Cc1ccc(-c2noc(Cc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000822223714 606620522 /nfs/dbraw/zinc/62/05/22/606620522.db2.gz HJDBUKCMVKEBNR-UHFFFAOYSA-N -1 3 318.340 2.816 20 0 DFADHM Cc1ccc(-c2noc(Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000822223714 606620523 /nfs/dbraw/zinc/62/05/23/606620523.db2.gz HJDBUKCMVKEBNR-UHFFFAOYSA-N -1 3 318.340 2.816 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820678776 606621880 /nfs/dbraw/zinc/62/18/80/606621880.db2.gz YHKHHQTXCCFUDW-PAKSIRSJSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820678776 606621881 /nfs/dbraw/zinc/62/18/81/606621881.db2.gz YHKHHQTXCCFUDW-PAKSIRSJSA-N -1 3 316.336 2.795 20 0 DFADHM Fc1cc(F)c(NCc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822753136 606656743 /nfs/dbraw/zinc/65/67/43/606656743.db2.gz GIEGBVORIIOOCD-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cc(F)c(NCc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822753136 606656744 /nfs/dbraw/zinc/65/67/44/606656744.db2.gz GIEGBVORIIOOCD-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cc(F)c(NCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000822753172 606656909 /nfs/dbraw/zinc/65/69/09/606656909.db2.gz HOBUGBICIKIXIR-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cc(F)c(NCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822753172 606656910 /nfs/dbraw/zinc/65/69/10/606656910.db2.gz HOBUGBICIKIXIR-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM O=C(NC1CCCCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823151259 606661612 /nfs/dbraw/zinc/66/16/12/606661612.db2.gz XYIQXGNXRNGPAJ-UHFFFAOYSA-N -1 3 321.331 2.598 20 0 DFADHM O=C(NC1CCCCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823151259 606661613 /nfs/dbraw/zinc/66/16/13/606661613.db2.gz XYIQXGNXRNGPAJ-UHFFFAOYSA-N -1 3 321.331 2.598 20 0 DFADHM CC[C@H]1CCCCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820981121 606662747 /nfs/dbraw/zinc/66/27/47/606662747.db2.gz PNJSBHXPBVRKPD-JTQLQIEISA-N -1 3 321.331 2.550 20 0 DFADHM CC[C@H]1CCCCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820981121 606662748 /nfs/dbraw/zinc/66/27/48/606662748.db2.gz PNJSBHXPBVRKPD-JTQLQIEISA-N -1 3 321.331 2.550 20 0 DFADHM CC(C)C[C@H](C)OCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820054850 606663647 /nfs/dbraw/zinc/66/36/47/606663647.db2.gz DBNWTPNQHJVXKR-LBPRGKRZSA-N -1 3 318.377 2.613 20 0 DFADHM CC(C)C[C@H](C)OCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820054850 606663648 /nfs/dbraw/zinc/66/36/48/606663648.db2.gz DBNWTPNQHJVXKR-LBPRGKRZSA-N -1 3 318.377 2.613 20 0 DFADHM O=C(OC[C@@H]1CC=CCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823396822 606664292 /nfs/dbraw/zinc/66/42/92/606664292.db2.gz OBJZCEIOEMIAJX-SECBINFHSA-N -1 3 320.299 2.658 20 0 DFADHM O=C(OC[C@@H]1CC=CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823396822 606664293 /nfs/dbraw/zinc/66/42/93/606664293.db2.gz OBJZCEIOEMIAJX-SECBINFHSA-N -1 3 320.299 2.658 20 0 DFADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC000821154144 606670364 /nfs/dbraw/zinc/67/03/64/606670364.db2.gz KHEPNXGFNPWYEY-UHFFFAOYSA-N -1 3 321.331 2.550 20 0 DFADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC000821154144 606670363 /nfs/dbraw/zinc/67/03/63/606670363.db2.gz KHEPNXGFNPWYEY-UHFFFAOYSA-N -1 3 321.331 2.550 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820870555 606682453 /nfs/dbraw/zinc/68/24/53/606682453.db2.gz VCZLIYUNYUKXHH-IUCAKERBSA-N -1 3 323.347 2.699 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820870555 606682454 /nfs/dbraw/zinc/68/24/54/606682454.db2.gz VCZLIYUNYUKXHH-IUCAKERBSA-N -1 3 323.347 2.699 20 0 DFADHM CC[C@@H](C)CN(CC)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820870557 606684877 /nfs/dbraw/zinc/68/48/77/606684877.db2.gz VEIWYXANATUEJC-SECBINFHSA-N -1 3 323.347 2.653 20 0 DFADHM CC[C@@H](C)CN(CC)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820870557 606684878 /nfs/dbraw/zinc/68/48/78/606684878.db2.gz VEIWYXANATUEJC-SECBINFHSA-N -1 3 323.347 2.653 20 0 DFADHM CCC1(CC)CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820958642 606691095 /nfs/dbraw/zinc/69/10/95/606691095.db2.gz WLVZNOMSLNFWAA-UHFFFAOYSA-N -1 3 305.407 2.581 20 0 DFADHM CCC1(CC)CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820958642 606691096 /nfs/dbraw/zinc/69/10/96/606691096.db2.gz WLVZNOMSLNFWAA-UHFFFAOYSA-N -1 3 305.407 2.581 20 0 DFADHM O=C(Nc1cccc2ccncc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823368369 606692987 /nfs/dbraw/zinc/69/29/87/606692987.db2.gz VMKZLAKTRMXXQM-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1cccc2ccncc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823368369 606692988 /nfs/dbraw/zinc/69/29/88/606692988.db2.gz VMKZLAKTRMXXQM-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM CC(C)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820037321 606697031 /nfs/dbraw/zinc/69/70/31/606697031.db2.gz CGQJQJJWEXRXJM-SNVBAGLBSA-N -1 3 318.356 2.516 20 0 DFADHM CC(C)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820037321 606697032 /nfs/dbraw/zinc/69/70/32/606697032.db2.gz CGQJQJJWEXRXJM-SNVBAGLBSA-N -1 3 318.356 2.516 20 0 DFADHM CCO[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000821351504 606716819 /nfs/dbraw/zinc/71/68/19/606716819.db2.gz RQFDOMPGTHITGM-AWEZNQCLSA-N -1 3 317.393 2.565 20 0 DFADHM CCO[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000821351504 606716820 /nfs/dbraw/zinc/71/68/20/606716820.db2.gz RQFDOMPGTHITGM-AWEZNQCLSA-N -1 3 317.393 2.565 20 0 DFADHM Cc1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000822288555 606761692 /nfs/dbraw/zinc/76/16/92/606761692.db2.gz BLIXDEUHZMWDLY-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000822288555 606761694 /nfs/dbraw/zinc/76/16/94/606761694.db2.gz BLIXDEUHZMWDLY-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CCCC1(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000821027197 606765515 /nfs/dbraw/zinc/76/55/15/606765515.db2.gz MAKNIWGXUDHSCJ-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCCC1(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000821027197 606765517 /nfs/dbraw/zinc/76/55/17/606765517.db2.gz MAKNIWGXUDHSCJ-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820981273 606766945 /nfs/dbraw/zinc/76/69/45/606766945.db2.gz QJMVADJFBGNATP-ZWNOBZJWSA-N -1 3 300.366 2.567 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820981273 606766947 /nfs/dbraw/zinc/76/69/47/606766947.db2.gz QJMVADJFBGNATP-ZWNOBZJWSA-N -1 3 300.366 2.567 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1(C2CC2)CC1 ZINC000823303012 606771420 /nfs/dbraw/zinc/77/14/20/606771420.db2.gz CAOVZBUGQVNWAJ-UHFFFAOYSA-N -1 3 318.768 2.584 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1(C2CC2)CC1 ZINC000823303012 606771421 /nfs/dbraw/zinc/77/14/21/606771421.db2.gz CAOVZBUGQVNWAJ-UHFFFAOYSA-N -1 3 318.768 2.584 20 0 DFADHM CCc1csc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821499908 606797912 /nfs/dbraw/zinc/79/79/12/606797912.db2.gz VJKVPLCXNSOZAE-UHFFFAOYSA-N -1 3 300.391 2.522 20 0 DFADHM CCc1csc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821499908 606797915 /nfs/dbraw/zinc/79/79/15/606797915.db2.gz VJKVPLCXNSOZAE-UHFFFAOYSA-N -1 3 300.391 2.522 20 0 DFADHM c1ccc2nc(NC[C@@H]3CCCS3)c(-c3nnn[n-]3)cc2c1 ZINC000823802184 606800274 /nfs/dbraw/zinc/80/02/74/606800274.db2.gz ITHCOMMWRUINQT-NSHDSACASA-N -1 3 312.402 2.722 20 0 DFADHM c1ccc2nc(NC[C@@H]3CCCS3)c(-c3nn[n-]n3)cc2c1 ZINC000823802184 606800276 /nfs/dbraw/zinc/80/02/76/606800276.db2.gz ITHCOMMWRUINQT-NSHDSACASA-N -1 3 312.402 2.722 20 0 DFADHM FC(F)(F)c1cccc(OCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822728334 606811638 /nfs/dbraw/zinc/81/16/38/606811638.db2.gz HODUGGDIACKXGB-UHFFFAOYSA-N -1 3 321.262 2.860 20 0 DFADHM FC(F)(F)c1cccc(OCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822728334 606811641 /nfs/dbraw/zinc/81/16/41/606811641.db2.gz HODUGGDIACKXGB-UHFFFAOYSA-N -1 3 321.262 2.860 20 0 DFADHM CC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000820618686 606869364 /nfs/dbraw/zinc/86/93/64/606869364.db2.gz LXWSMWCRXFCTLD-UHFFFAOYSA-N -1 3 314.393 2.959 20 0 DFADHM CC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000820618686 606869366 /nfs/dbraw/zinc/86/93/66/606869366.db2.gz LXWSMWCRXFCTLD-UHFFFAOYSA-N -1 3 314.393 2.959 20 0 DFADHM C[C@H]1CN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820753304 606885064 /nfs/dbraw/zinc/88/50/64/606885064.db2.gz XTTVVEGBIKQYLU-YVEFUNNKSA-N -1 3 321.384 2.524 20 0 DFADHM C[C@H]1CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820753304 606885065 /nfs/dbraw/zinc/88/50/65/606885065.db2.gz XTTVVEGBIKQYLU-YVEFUNNKSA-N -1 3 321.384 2.524 20 0 DFADHM Cc1ccc(C)c(N(C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822231840 606887728 /nfs/dbraw/zinc/88/77/28/606887728.db2.gz JERGJKSVBXJJLI-QGZVFWFLSA-N -1 3 323.400 2.653 20 0 DFADHM Cc1ccc(C)c(N(C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822231840 606887730 /nfs/dbraw/zinc/88/77/30/606887730.db2.gz JERGJKSVBXJJLI-QGZVFWFLSA-N -1 3 323.400 2.653 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)CC[C@H]1C ZINC000822217854 606906704 /nfs/dbraw/zinc/90/67/04/606906704.db2.gz PRTMQXSZNJUHBB-GHMZBOCLSA-N -1 3 300.366 2.580 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)CC[C@H]1C ZINC000822217854 606906705 /nfs/dbraw/zinc/90/67/05/606906705.db2.gz PRTMQXSZNJUHBB-GHMZBOCLSA-N -1 3 300.366 2.580 20 0 DFADHM CCN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1C ZINC000821170898 606921124 /nfs/dbraw/zinc/92/11/24/606921124.db2.gz XVKCCLFVKFYADC-QGZVFWFLSA-N -1 3 323.400 2.735 20 0 DFADHM CCN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1C ZINC000821170898 606921125 /nfs/dbraw/zinc/92/11/25/606921125.db2.gz XVKCCLFVKFYADC-QGZVFWFLSA-N -1 3 323.400 2.735 20 0 DFADHM CC(C)c1csc(CNCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820197576 606922880 /nfs/dbraw/zinc/92/28/80/606922880.db2.gz MAXVTFGNIBIBKH-UHFFFAOYSA-N -1 3 314.418 2.736 20 0 DFADHM CCCC[C@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821040336 606924362 /nfs/dbraw/zinc/92/43/62/606924362.db2.gz KFVKJCDSDDURQH-RYUDHWBXSA-N -1 3 318.377 2.756 20 0 DFADHM O=C(Nc1cc(F)cc(Cl)c1)c1sccc1-c1nnn[n-]1 ZINC000823299503 606937281 /nfs/dbraw/zinc/93/72/81/606937281.db2.gz ZQPSUBBXYQUKFK-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1cc(F)cc(Cl)c1)c1sccc1-c1nn[n-]n1 ZINC000823299503 606937284 /nfs/dbraw/zinc/93/72/84/606937284.db2.gz ZQPSUBBXYQUKFK-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM CC(C)C1CCC(NC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820038829 606938149 /nfs/dbraw/zinc/93/81/49/606938149.db2.gz SPXMQVNVSAYASK-UHFFFAOYSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)C1CCC(NC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820038829 606938151 /nfs/dbraw/zinc/93/81/51/606938151.db2.gz SPXMQVNVSAYASK-UHFFFAOYSA-N -1 3 313.405 2.811 20 0 DFADHM FC(F)(F)c1ccnc(Sc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822727952 606945324 /nfs/dbraw/zinc/94/53/24/606945324.db2.gz CUBDQJQWJRPQEQ-UHFFFAOYSA-N -1 3 324.291 2.827 20 0 DFADHM FC(F)(F)c1ccnc(Sc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822727952 606945325 /nfs/dbraw/zinc/94/53/25/606945325.db2.gz CUBDQJQWJRPQEQ-UHFFFAOYSA-N -1 3 324.291 2.827 20 0 DFADHM c1ccc2nc(N3CCC4(CCC4)C3)c(-c3nnn[n-]3)cc2c1 ZINC000823801846 606948359 /nfs/dbraw/zinc/94/83/59/606948359.db2.gz CSGRMWZKNKWWLP-UHFFFAOYSA-N -1 3 306.373 2.795 20 0 DFADHM c1ccc2nc(N3CCC4(CCC4)C3)c(-c3nn[n-]n3)cc2c1 ZINC000823801846 606948361 /nfs/dbraw/zinc/94/83/61/606948361.db2.gz CSGRMWZKNKWWLP-UHFFFAOYSA-N -1 3 306.373 2.795 20 0 DFADHM CCc1c(C)sc(NC(=O)C=CSC)c1-c1nn[n-]n1 ZINC000821465318 606956997 /nfs/dbraw/zinc/95/69/97/606956997.db2.gz 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/nfs/dbraw/zinc/97/51/65/606975165.db2.gz IAKSHQZWFMPISU-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCOc1ccccc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000821430891 606975167 /nfs/dbraw/zinc/97/51/67/606975167.db2.gz IAKSHQZWFMPISU-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM Cc1ccsc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822379773 606990277 /nfs/dbraw/zinc/99/02/77/606990277.db2.gz UDVAWQATQCRWAE-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1ccsc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822379773 606990278 /nfs/dbraw/zinc/99/02/78/606990278.db2.gz UDVAWQATQCRWAE-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821009056 606996773 /nfs/dbraw/zinc/99/67/73/606996773.db2.gz NIZSGSWJBMHJJJ-JXMROGBWSA-N -1 3 304.325 2.795 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821009056 606996775 /nfs/dbraw/zinc/99/67/75/606996775.db2.gz NIZSGSWJBMHJJJ-JXMROGBWSA-N -1 3 304.325 2.795 20 0 DFADHM Cc1cscc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822414736 607001971 /nfs/dbraw/zinc/00/19/71/607001971.db2.gz RSPIWYQHCBIFIF-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1cscc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822414736 607001974 /nfs/dbraw/zinc/00/19/74/607001974.db2.gz RSPIWYQHCBIFIF-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CC12CCCC2 ZINC000823421953 607002275 /nfs/dbraw/zinc/00/22/75/607002275.db2.gz KUKQOMPZFCHKOZ-LBPRGKRZSA-N -1 3 316.336 2.629 20 0 DFADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CC12CCCC2 ZINC000823421953 607002278 /nfs/dbraw/zinc/00/22/78/607002278.db2.gz KUKQOMPZFCHKOZ-LBPRGKRZSA-N -1 3 316.336 2.629 20 0 DFADHM CC(C)C[C@@H]1CCCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000820067269 607052292 /nfs/dbraw/zinc/05/22/92/607052292.db2.gz HQJBHGOMBIVRDT-NSHDSACASA-N -1 3 319.434 2.827 20 0 DFADHM CC(C)C[C@@H]1CCCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000820067269 607052293 /nfs/dbraw/zinc/05/22/93/607052293.db2.gz HQJBHGOMBIVRDT-NSHDSACASA-N -1 3 319.434 2.827 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C=C(CC)CC ZINC000821390628 607052711 /nfs/dbraw/zinc/05/27/11/607052711.db2.gz ZYSKKQZIHFSRNI-UHFFFAOYSA-N -1 3 316.361 2.917 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C=C(CC)CC ZINC000821390628 607052712 /nfs/dbraw/zinc/05/27/12/607052712.db2.gz ZYSKKQZIHFSRNI-UHFFFAOYSA-N -1 3 316.361 2.917 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000820690561 607083672 /nfs/dbraw/zinc/08/36/72/607083672.db2.gz NZROKLSROBSPRN-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC000820690561 607083673 /nfs/dbraw/zinc/08/36/73/607083673.db2.gz NZROKLSROBSPRN-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820684783 607090535 /nfs/dbraw/zinc/09/05/35/607090535.db2.gz SDSVDDHCYWSCDF-DGCLKSJQSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820684783 607090536 /nfs/dbraw/zinc/09/05/36/607090536.db2.gz SDSVDDHCYWSCDF-DGCLKSJQSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820683635 607090613 /nfs/dbraw/zinc/09/06/13/607090613.db2.gz FDEAXDYJCYRZCN-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820683635 607090614 /nfs/dbraw/zinc/09/06/14/607090614.db2.gz FDEAXDYJCYRZCN-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM CCC(=CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)CC ZINC000820832091 607091514 /nfs/dbraw/zinc/09/15/14/607091514.db2.gz HAUBRKQUPLGNHJ-UHFFFAOYSA-N -1 3 304.325 2.795 20 0 DFADHM CCC(=CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)CC ZINC000820832091 607091516 /nfs/dbraw/zinc/09/15/16/607091516.db2.gz HAUBRKQUPLGNHJ-UHFFFAOYSA-N -1 3 304.325 2.795 20 0 DFADHM CCC[C@@H](CC)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821014231 607091862 /nfs/dbraw/zinc/09/18/62/607091862.db2.gz CBPQJVQAVAECHD-CQSZACIVSA-N -1 3 302.378 2.921 20 0 DFADHM CCC[C@@H](CC)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821014231 607091863 /nfs/dbraw/zinc/09/18/63/607091863.db2.gz CBPQJVQAVAECHD-CQSZACIVSA-N -1 3 302.378 2.921 20 0 DFADHM CC=C(C=CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)CC ZINC000820832527 607119707 /nfs/dbraw/zinc/11/97/07/607119707.db2.gz KXVPQCZTOTUKLU-OEPKPEFXSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)CC ZINC000820832527 607119709 /nfs/dbraw/zinc/11/97/09/607119709.db2.gz KXVPQCZTOTUKLU-OEPKPEFXSA-N -1 3 316.336 2.962 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOC2(CCC2)C1 ZINC000822744214 607133212 /nfs/dbraw/zinc/13/32/12/607133212.db2.gz OLVPBCAZOHUZDH-NSHDSACASA-N -1 3 303.341 2.519 20 0 DFADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@@H]1CC12CCC2 ZINC000823383323 607142973 /nfs/dbraw/zinc/14/29/73/607142973.db2.gz PNBLKLWLQDXTGY-VIFPVBQESA-N -1 3 315.402 2.546 20 0 DFADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@@H]1CC12CCC2 ZINC000823383323 607142975 /nfs/dbraw/zinc/14/29/75/607142975.db2.gz PNBLKLWLQDXTGY-VIFPVBQESA-N -1 3 315.402 2.546 20 0 DFADHM CCC(=O)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000820843397 607147291 /nfs/dbraw/zinc/14/72/91/607147291.db2.gz XUMYNBOZYDHRNA-UHFFFAOYSA-N -1 3 321.340 2.712 20 0 DFADHM CCC(=O)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000820843397 607147292 /nfs/dbraw/zinc/14/72/92/607147292.db2.gz XUMYNBOZYDHRNA-UHFFFAOYSA-N -1 3 321.340 2.712 20 0 DFADHM CCCC1(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)CC1 ZINC000821027043 607156549 /nfs/dbraw/zinc/15/65/49/607156549.db2.gz KJOKESYRJDHGOZ-UHFFFAOYSA-N -1 3 315.377 2.784 20 0 DFADHM CCCC1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)CC1 ZINC000821027043 607156550 /nfs/dbraw/zinc/15/65/50/607156550.db2.gz KJOKESYRJDHGOZ-UHFFFAOYSA-N -1 3 315.377 2.784 20 0 DFADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821015395 607164676 /nfs/dbraw/zinc/16/46/76/607164676.db2.gz PQVWSEXWOYJICW-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821015395 607164677 /nfs/dbraw/zinc/16/46/77/607164677.db2.gz PQVWSEXWOYJICW-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM Cc1ccc(C(=O)COc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822225069 607170737 /nfs/dbraw/zinc/17/07/37/607170737.db2.gz MVZKBXDFKKTATE-UHFFFAOYSA-N -1 3 312.304 2.576 20 0 DFADHM Cc1ccc(C(=O)COc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822225069 607170738 /nfs/dbraw/zinc/17/07/38/607170738.db2.gz MVZKBXDFKKTATE-UHFFFAOYSA-N -1 3 312.304 2.576 20 0 DFADHM Fc1ccc(CCNc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000822766638 607172311 /nfs/dbraw/zinc/17/23/11/607172311.db2.gz LXEWFXODMIHVIJ-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1ccc(CCNc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000822766638 607172312 /nfs/dbraw/zinc/17/23/12/607172312.db2.gz LXEWFXODMIHVIJ-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM COCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821685500 607172881 /nfs/dbraw/zinc/17/28/81/607172881.db2.gz GERZXTWMHKNWBO-MRVPVSSYSA-N -1 3 315.299 2.722 20 0 DFADHM COCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821685500 607172882 /nfs/dbraw/zinc/17/28/82/607172882.db2.gz GERZXTWMHKNWBO-MRVPVSSYSA-N -1 3 315.299 2.722 20 0 DFADHM Fc1ccc(CN2CCc3cccc(F)c32)c(-c2nnn[n-]2)c1 ZINC000822771425 607177493 /nfs/dbraw/zinc/17/74/93/607177493.db2.gz HIFPBKPBPPKGOB-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc(CN2CCc3cccc(F)c32)c(-c2nn[n-]n2)c1 ZINC000822771425 607177494 /nfs/dbraw/zinc/17/74/94/607177494.db2.gz HIFPBKPBPPKGOB-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM O=C(C=Cc1ccco1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822935443 607189219 /nfs/dbraw/zinc/18/92/19/607189219.db2.gz LDFQJVQHJWDNTH-GQCTYLIASA-N -1 3 315.720 2.765 20 0 DFADHM O=C(C=Cc1ccco1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822935443 607189220 /nfs/dbraw/zinc/18/92/20/607189220.db2.gz LDFQJVQHJWDNTH-GQCTYLIASA-N -1 3 315.720 2.765 20 0 DFADHM Cc1ccoc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822378836 607191030 /nfs/dbraw/zinc/19/10/30/607191030.db2.gz FWQXFSSEDMDZTB-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM Cc1ccoc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822378836 607191031 /nfs/dbraw/zinc/19/10/31/607191031.db2.gz FWQXFSSEDMDZTB-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc2c1CCC2 ZINC000823449932 607245582 /nfs/dbraw/zinc/24/55/82/607245582.db2.gz FJONTMKLTHTBJX-UHFFFAOYSA-N -1 3 324.315 2.714 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc2c1CCC2 ZINC000823449932 607245583 /nfs/dbraw/zinc/24/55/83/607245583.db2.gz FJONTMKLTHTBJX-UHFFFAOYSA-N -1 3 324.315 2.714 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000823449918 607249317 /nfs/dbraw/zinc/24/93/17/607249317.db2.gz DYTMCUGKVYQJAT-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000823449918 607249318 /nfs/dbraw/zinc/24/93/18/607249318.db2.gz DYTMCUGKVYQJAT-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM CCc1c(C)sc(NC(=O)CO[C@H](C)CC)c1-c1nnn[n-]1 ZINC000825687022 607785599 /nfs/dbraw/zinc/78/55/99/607785599.db2.gz DLSVATFYLUNFND-MRVPVSSYSA-N -1 3 323.422 2.553 20 0 DFADHM CCc1c(C)sc(NC(=O)CO[C@H](C)CC)c1-c1nn[n-]n1 ZINC000825687022 607785600 /nfs/dbraw/zinc/78/56/00/607785600.db2.gz DLSVATFYLUNFND-MRVPVSSYSA-N -1 3 323.422 2.553 20 0 DFADHM CCOc1cccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000825649472 607786243 /nfs/dbraw/zinc/78/62/43/607786243.db2.gz QHSUAKOJQHIDJP-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCOc1cccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000825649472 607786244 /nfs/dbraw/zinc/78/62/44/607786244.db2.gz QHSUAKOJQHIDJP-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM C[C@@H](OC(=O)C(C1CC1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824707499 607800517 /nfs/dbraw/zinc/80/05/17/607800517.db2.gz RLWKQQSNGGBEQC-SNVBAGLBSA-N -1 3 312.373 2.907 20 0 DFADHM C[C@@H](OC(=O)C(C1CC1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824707499 607800518 /nfs/dbraw/zinc/80/05/18/607800518.db2.gz RLWKQQSNGGBEQC-SNVBAGLBSA-N -1 3 312.373 2.907 20 0 DFADHM CN(C(=O)[C@H]1CC1(C)C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825811771 607800862 /nfs/dbraw/zinc/80/08/62/607800862.db2.gz BLWHOUBNICVSSD-SNVBAGLBSA-N -1 3 305.769 2.529 20 0 DFADHM CN(C(=O)[C@H]1CC1(C)C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825811771 607800863 /nfs/dbraw/zinc/80/08/63/607800863.db2.gz BLWHOUBNICVSSD-SNVBAGLBSA-N -1 3 305.769 2.529 20 0 DFADHM C[C@@H](Nc1cnccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824662243 607838629 /nfs/dbraw/zinc/83/86/29/607838629.db2.gz GLWNKCLCQFSKQM-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](Nc1cnccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824662243 607838630 /nfs/dbraw/zinc/83/86/30/607838630.db2.gz GLWNKCLCQFSKQM-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](OCCCNc1cnccc1-c1nnn[n-]1)c1ccccc1 ZINC000824730405 607838689 /nfs/dbraw/zinc/83/86/89/607838689.db2.gz NGWIOYQOBJBYHK-CYBMUJFWSA-N -1 3 324.388 2.842 20 0 DFADHM C[C@@H](OCCCNc1cnccc1-c1nn[n-]n1)c1ccccc1 ZINC000824730405 607838690 /nfs/dbraw/zinc/83/86/90/607838690.db2.gz NGWIOYQOBJBYHK-CYBMUJFWSA-N -1 3 324.388 2.842 20 0 DFADHM Cc1cc(C)cc([C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264113 607869396 /nfs/dbraw/zinc/86/93/96/607869396.db2.gz CHBHNOKPNYMPPB-INIZCTEOSA-N -1 3 310.357 2.596 20 0 DFADHM O[C@H](COc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504911 607869763 /nfs/dbraw/zinc/86/97/63/607869763.db2.gz HVYNJGLKYMVFLI-CYBMUJFWSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@H](COc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504911 607869764 /nfs/dbraw/zinc/86/97/64/607869764.db2.gz HVYNJGLKYMVFLI-CYBMUJFWSA-N -1 3 316.748 2.633 20 0 DFADHM Cc1ccc(C)c(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826285054 607870208 /nfs/dbraw/zinc/87/02/08/607870208.db2.gz OJRMVMNUKJZPIA-MRXNPFEDSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1ccc(C)c(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826285054 607870209 /nfs/dbraw/zinc/87/02/09/607870209.db2.gz OJRMVMNUKJZPIA-MRXNPFEDSA-N -1 3 324.384 2.904 20 0 DFADHM CCCc1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825348598 607874082 /nfs/dbraw/zinc/87/40/82/607874082.db2.gz RKLYAQSBELGFDR-KRWDZBQOSA-N -1 3 324.384 2.932 20 0 DFADHM CCCc1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825348598 607874083 /nfs/dbraw/zinc/87/40/83/607874083.db2.gz RKLYAQSBELGFDR-KRWDZBQOSA-N -1 3 324.384 2.932 20 0 DFADHM FC(F)(F)COc1ccccc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826367549 607891810 /nfs/dbraw/zinc/89/18/10/607891810.db2.gz CVFISZFHEVQDMW-UHFFFAOYSA-N -1 3 323.278 2.658 20 0 DFADHM FC(F)(F)COc1ccccc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826367549 607891811 /nfs/dbraw/zinc/89/18/11/607891811.db2.gz CVFISZFHEVQDMW-UHFFFAOYSA-N -1 3 323.278 2.658 20 0 DFADHM Cc1oc(-c2cccs2)nc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826340519 607892594 /nfs/dbraw/zinc/89/25/94/607892594.db2.gz BBDXLNUKZPPJRG-UHFFFAOYSA-N -1 3 312.358 2.741 20 0 DFADHM Cc1oc(-c2cccs2)nc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826340519 607892595 /nfs/dbraw/zinc/89/25/95/607892595.db2.gz BBDXLNUKZPPJRG-UHFFFAOYSA-N -1 3 312.358 2.741 20 0 DFADHM O=Cc1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000826484139 607894220 /nfs/dbraw/zinc/89/42/20/607894220.db2.gz PEBZKHUJGDYIRK-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM O=Cc1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000826484139 607894221 /nfs/dbraw/zinc/89/42/21/607894221.db2.gz PEBZKHUJGDYIRK-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM CC(C)CSCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000824275436 607905122 /nfs/dbraw/zinc/90/51/22/607905122.db2.gz SIVDWSJBHNSYFP-UHFFFAOYSA-N -1 3 318.450 2.552 20 0 DFADHM CC(C)CSCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000824275436 607905123 /nfs/dbraw/zinc/90/51/23/607905123.db2.gz SIVDWSJBHNSYFP-UHFFFAOYSA-N -1 3 318.450 2.552 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCSCC(C)C)n1 ZINC000826262969 607905375 /nfs/dbraw/zinc/90/53/75/607905375.db2.gz GDOIPOYYSDWLRU-UHFFFAOYSA-N -1 3 306.439 2.680 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCSCC(C)C)n1 ZINC000826262969 607905376 /nfs/dbraw/zinc/90/53/76/607905376.db2.gz GDOIPOYYSDWLRU-UHFFFAOYSA-N -1 3 306.439 2.680 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCC1 ZINC000824507359 607916556 /nfs/dbraw/zinc/91/65/56/607916556.db2.gz WYOCPNZJYHOUMH-MRVPVSSYSA-N -1 3 320.784 2.830 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCC1 ZINC000824507359 607916557 /nfs/dbraw/zinc/91/65/57/607916557.db2.gz WYOCPNZJYHOUMH-MRVPVSSYSA-N -1 3 320.784 2.830 20 0 DFADHM Fc1cccc(N2CC=C(C(F)(F)F)CC2)c1-c1nnn[n-]1 ZINC000826377570 607935907 /nfs/dbraw/zinc/93/59/07/607935907.db2.gz XEXSIKQWNWCERL-UHFFFAOYSA-N -1 3 313.258 2.705 20 0 DFADHM Fc1cccc(N2CC=C(C(F)(F)F)CC2)c1-c1nn[n-]n1 ZINC000826377570 607935908 /nfs/dbraw/zinc/93/59/08/607935908.db2.gz XEXSIKQWNWCERL-UHFFFAOYSA-N -1 3 313.258 2.705 20 0 DFADHM C[C@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)C1CCCC1 ZINC000824039639 607952318 /nfs/dbraw/zinc/95/23/18/607952318.db2.gz GFRZXSMKVIIFLV-NSHDSACASA-N -1 3 311.389 2.582 20 0 DFADHM C[C@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)C1CCCC1 ZINC000824039639 607952319 /nfs/dbraw/zinc/95/23/19/607952319.db2.gz GFRZXSMKVIIFLV-NSHDSACASA-N -1 3 311.389 2.582 20 0 DFADHM c1sc(C2CC2)nc1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000826517401 607965947 /nfs/dbraw/zinc/96/59/47/607965947.db2.gz BFHMNAXTOFRYGF-UHFFFAOYSA-N -1 3 316.415 2.888 20 0 DFADHM c1sc(C2CC2)nc1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000826517401 607965948 /nfs/dbraw/zinc/96/59/48/607965948.db2.gz BFHMNAXTOFRYGF-UHFFFAOYSA-N -1 3 316.415 2.888 20 0 DFADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1nc(C)cs1 ZINC000825782630 607975867 /nfs/dbraw/zinc/97/58/67/607975867.db2.gz JPKKLROMJNVHSG-UHFFFAOYSA-N -1 3 311.374 2.668 20 0 DFADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1nc(C)cs1 ZINC000825782630 607975868 /nfs/dbraw/zinc/97/58/68/607975868.db2.gz JPKKLROMJNVHSG-UHFFFAOYSA-N -1 3 311.374 2.668 20 0 DFADHM c1ccc2c(c1)CCC[C@@H]2CNc1cnccc1-c1nnn[n-]1 ZINC000826523173 607989442 /nfs/dbraw/zinc/98/94/42/607989442.db2.gz DDSHMJYNNSEKMH-CYBMUJFWSA-N -1 3 306.373 2.794 20 0 DFADHM c1ccc2c(c1)CCC[C@@H]2CNc1cnccc1-c1nn[n-]n1 ZINC000826523173 607989443 /nfs/dbraw/zinc/98/94/43/607989443.db2.gz DDSHMJYNNSEKMH-CYBMUJFWSA-N -1 3 306.373 2.794 20 0 DFADHM C[C@@H](OC(=O)C=Cc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824715472 607989655 /nfs/dbraw/zinc/98/96/55/607989655.db2.gz SHRUJVGWHNLGPZ-QDZRJHCZSA-N -1 3 321.340 2.579 20 0 DFADHM C[C@@H](OC(=O)C=Cc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824715472 607989656 /nfs/dbraw/zinc/98/96/56/607989656.db2.gz SHRUJVGWHNLGPZ-QDZRJHCZSA-N -1 3 321.340 2.579 20 0 DFADHM O=C(Nc1cncc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826459676 608004341 /nfs/dbraw/zinc/00/43/41/608004341.db2.gz UJCMMLQGWMKJHN-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1cncc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826459676 608004342 /nfs/dbraw/zinc/00/43/42/608004342.db2.gz UJCMMLQGWMKJHN-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM C[C@@H]1CSC(SCc2ccc(F)cc2-c2nnn[n-]2)=N1 ZINC000825012625 608014020 /nfs/dbraw/zinc/01/40/20/608014020.db2.gz KOMBWQKLDQVDBF-SSDOTTSWSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@@H]1CSC(SCc2ccc(F)cc2-c2nn[n-]n2)=N1 ZINC000825012625 608014021 /nfs/dbraw/zinc/01/40/21/608014021.db2.gz KOMBWQKLDQVDBF-SSDOTTSWSA-N -1 3 309.395 2.730 20 0 DFADHM Cc1cncc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826319539 608017183 /nfs/dbraw/zinc/01/71/83/608017183.db2.gz HMCHKBYCSYTXRM-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cncc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826319539 608017184 /nfs/dbraw/zinc/01/71/84/608017184.db2.gz HMCHKBYCSYTXRM-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM FC1(F)CCC(Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000826370507 608053138 /nfs/dbraw/zinc/05/31/38/608053138.db2.gz WHLMDTIMUORZEK-UHFFFAOYSA-N -1 3 320.347 2.740 20 0 DFADHM FC1(F)CCC(Nc2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000826370507 608053139 /nfs/dbraw/zinc/05/31/39/608053139.db2.gz WHLMDTIMUORZEK-UHFFFAOYSA-N -1 3 320.347 2.740 20 0 DFADHM CCC(CC)[C@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000825095917 608071612 /nfs/dbraw/zinc/07/16/12/608071612.db2.gz KIYGNHHEJRZVOQ-VIFPVBQESA-N -1 3 306.341 2.984 20 0 DFADHM CCC(CC)[C@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000825095917 608071613 /nfs/dbraw/zinc/07/16/13/608071613.db2.gz KIYGNHHEJRZVOQ-VIFPVBQESA-N -1 3 306.341 2.984 20 0 DFADHM O=C(Oc1ccc(Cl)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826468503 608074576 /nfs/dbraw/zinc/07/45/76/608074576.db2.gz UJJMFXKVOMWSLE-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1ccc(Cl)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826468503 608074577 /nfs/dbraw/zinc/07/45/77/608074577.db2.gz UJJMFXKVOMWSLE-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)CC[C@H]1C ZINC000826278331 608078767 /nfs/dbraw/zinc/07/87/67/608078767.db2.gz YBRFDZJZUUXGEJ-ZYHUDNBSSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)CC[C@H]1C ZINC000826278331 608078768 /nfs/dbraw/zinc/07/87/68/608078768.db2.gz YBRFDZJZUUXGEJ-ZYHUDNBSSA-N -1 3 314.393 2.827 20 0 DFADHM C[C@@H](Nc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662218 608096933 /nfs/dbraw/zinc/09/69/33/608096933.db2.gz FVXNQQWWVCQNCS-SNVBAGLBSA-N -1 3 305.345 2.916 20 0 DFADHM Cc1c(NC(=O)c2cc(C(C)C)on2)cccc1-c1nnn[n-]1 ZINC000826242229 608120794 /nfs/dbraw/zinc/12/07/94/608120794.db2.gz GFHBDNGSVVYBNM-UHFFFAOYSA-N -1 3 312.333 2.539 20 0 DFADHM Cc1c(NC(=O)c2cc(C(C)C)on2)cccc1-c1nn[n-]n1 ZINC000826242229 608120795 /nfs/dbraw/zinc/12/07/95/608120795.db2.gz GFHBDNGSVVYBNM-UHFFFAOYSA-N -1 3 312.333 2.539 20 0 DFADHM CCC1(CO)CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000825171956 608151421 /nfs/dbraw/zinc/15/14/21/608151421.db2.gz XCMHGSVKGSBZBV-UHFFFAOYSA-N -1 3 321.812 2.509 20 0 DFADHM CCC1(CO)CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000825171956 608151422 /nfs/dbraw/zinc/15/14/22/608151422.db2.gz XCMHGSVKGSBZBV-UHFFFAOYSA-N -1 3 321.812 2.509 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](C2CC2)C1 ZINC000826304583 608152044 /nfs/dbraw/zinc/15/20/44/608152044.db2.gz QLTSWSSQSJHTQK-CYBMUJFWSA-N -1 3 320.400 2.960 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](C2CC2)C1 ZINC000826304583 608152046 /nfs/dbraw/zinc/15/20/46/608152046.db2.gz QLTSWSSQSJHTQK-CYBMUJFWSA-N -1 3 320.400 2.960 20 0 DFADHM CN(Cc1ccco1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825985818 608221611 /nfs/dbraw/zinc/22/16/11/608221611.db2.gz BQHPTJOZARFREO-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CN(Cc1ccco1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825985818 608221612 /nfs/dbraw/zinc/22/16/12/608221612.db2.gz BQHPTJOZARFREO-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825194421 608240355 /nfs/dbraw/zinc/24/03/55/608240355.db2.gz QQGNVOYNOZXUOM-GXFFZTMASA-N -1 3 300.366 2.662 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825194421 608240358 /nfs/dbraw/zinc/24/03/58/608240358.db2.gz QQGNVOYNOZXUOM-GXFFZTMASA-N -1 3 300.366 2.662 20 0 DFADHM CC(C)[C@@H]1C[C@@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000824214774 608242383 /nfs/dbraw/zinc/24/23/83/608242383.db2.gz IBVQRGRPTZWREV-GWCFXTLKSA-N -1 3 323.347 2.760 20 0 DFADHM CC(C)[C@@H]1C[C@@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824214774 608242385 /nfs/dbraw/zinc/24/23/85/608242385.db2.gz IBVQRGRPTZWREV-GWCFXTLKSA-N -1 3 323.347 2.760 20 0 DFADHM CC(C)[C@H]1C[C@@H](Nc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000824215287 608242416 /nfs/dbraw/zinc/24/24/16/608242416.db2.gz JZYXDVWXSVRXJP-SMDDNHRTSA-N -1 3 305.357 2.621 20 0 DFADHM CC(C)[C@H]1C[C@@H](Nc2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824215287 608242417 /nfs/dbraw/zinc/24/24/17/608242417.db2.gz JZYXDVWXSVRXJP-SMDDNHRTSA-N -1 3 305.357 2.621 20 0 DFADHM C[C@H]1CSC(SCc2ccc(F)c(-c3nnn[n-]3)c2)=N1 ZINC000825013562 608265836 /nfs/dbraw/zinc/26/58/36/608265836.db2.gz QHYHQQSPKKXVFG-ZETCQYMHSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@H]1CSC(SCc2ccc(F)c(-c3nn[n-]n3)c2)=N1 ZINC000825013562 608265837 /nfs/dbraw/zinc/26/58/37/608265837.db2.gz QHYHQQSPKKXVFG-ZETCQYMHSA-N -1 3 309.395 2.730 20 0 DFADHM Cc1ccc(OCCNc2nc(C)ccc2-c2nnn[n-]2)c(C)c1 ZINC000826291903 608271677 /nfs/dbraw/zinc/27/16/77/608271677.db2.gz ARTWZOOTBTYFFI-UHFFFAOYSA-N -1 3 324.388 2.678 20 0 DFADHM Cc1ccc(OCCNc2nc(C)ccc2-c2nn[n-]n2)c(C)c1 ZINC000826291903 608271679 /nfs/dbraw/zinc/27/16/79/608271679.db2.gz ARTWZOOTBTYFFI-UHFFFAOYSA-N -1 3 324.388 2.678 20 0 DFADHM Cc1ccc(CCNc2nc(C)ccc2-c2nnn[n-]2)c(C)c1 ZINC000826287580 608279331 /nfs/dbraw/zinc/27/93/31/608279331.db2.gz URBSTXXMAJIHIQ-UHFFFAOYSA-N -1 3 308.389 2.842 20 0 DFADHM Cc1ccc(CCNc2nc(C)ccc2-c2nn[n-]n2)c(C)c1 ZINC000826287580 608279332 /nfs/dbraw/zinc/27/93/32/608279332.db2.gz URBSTXXMAJIHIQ-UHFFFAOYSA-N -1 3 308.389 2.842 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000826274248 608283574 /nfs/dbraw/zinc/28/35/74/608283574.db2.gz LCIOYADFPAUDJO-CYBMUJFWSA-N -1 3 324.363 2.703 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000826274248 608283576 /nfs/dbraw/zinc/28/35/76/608283576.db2.gz LCIOYADFPAUDJO-CYBMUJFWSA-N -1 3 324.363 2.703 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(C(C)(C)C)CC2)n1 ZINC000826274342 608287926 /nfs/dbraw/zinc/28/79/26/608287926.db2.gz OBILSVJZYQOEIR-UHFFFAOYSA-N -1 3 300.410 2.833 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(C(C)(C)C)CC2)n1 ZINC000826274342 608287928 /nfs/dbraw/zinc/28/79/28/608287928.db2.gz OBILSVJZYQOEIR-UHFFFAOYSA-N -1 3 300.410 2.833 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000826274301 608294943 /nfs/dbraw/zinc/29/49/43/608294943.db2.gz MVRPBHFSIXLFPP-UKRRQHHQSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000826274301 608294944 /nfs/dbraw/zinc/29/49/44/608294944.db2.gz MVRPBHFSIXLFPP-UKRRQHHQSA-N -1 3 320.400 2.953 20 0 DFADHM FC1(F)CC[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826370125 608297834 /nfs/dbraw/zinc/29/78/34/608297834.db2.gz FFFPWWZXHRHQJM-SNVBAGLBSA-N -1 3 320.347 2.740 20 0 DFADHM FC1(F)CC[C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826370125 608297836 /nfs/dbraw/zinc/29/78/36/608297836.db2.gz FFFPWWZXHRHQJM-SNVBAGLBSA-N -1 3 320.347 2.740 20 0 DFADHM C[C@@H](SCc1ccnn1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824755887 608298872 /nfs/dbraw/zinc/29/88/72/608298872.db2.gz MOCXEFKWOFUMFJ-SNVBAGLBSA-N -1 3 300.391 2.595 20 0 DFADHM C[C@@H](SCc1ccnn1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824755887 608298874 /nfs/dbraw/zinc/29/88/74/608298874.db2.gz MOCXEFKWOFUMFJ-SNVBAGLBSA-N -1 3 300.391 2.595 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCC2Cc3ccccc3C2)n1 ZINC000826276288 608300992 /nfs/dbraw/zinc/30/09/92/608300992.db2.gz ZSNCVZXDXPPIQG-UHFFFAOYSA-N -1 3 320.400 2.787 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCC2Cc3ccccc3C2)n1 ZINC000826276288 608300993 /nfs/dbraw/zinc/30/09/93/608300993.db2.gz ZSNCVZXDXPPIQG-UHFFFAOYSA-N -1 3 320.400 2.787 20 0 DFADHM Cc1c(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC000826241686 608307826 /nfs/dbraw/zinc/30/78/26/608307826.db2.gz LOFVWCGVNBNEED-MNOVXSKESA-N -1 3 314.393 2.685 20 0 DFADHM Cc1c(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC000826241686 608307827 /nfs/dbraw/zinc/30/78/27/608307827.db2.gz LOFVWCGVNBNEED-MNOVXSKESA-N -1 3 314.393 2.685 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(C)cc1F ZINC000826170564 608319698 /nfs/dbraw/zinc/31/96/98/608319698.db2.gz FSVCSNVRDZQXPO-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(C)cc1F ZINC000826170564 608319699 /nfs/dbraw/zinc/31/96/99/608319699.db2.gz FSVCSNVRDZQXPO-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSC[C@H]1CCCCO1 ZINC000826173857 608323331 /nfs/dbraw/zinc/32/33/31/608323331.db2.gz YKDBADPYYRMMOR-CYBMUJFWSA-N -1 3 320.418 2.678 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSC[C@H]1CCCCO1 ZINC000826173857 608323333 /nfs/dbraw/zinc/32/33/33/608323333.db2.gz YKDBADPYYRMMOR-CYBMUJFWSA-N -1 3 320.418 2.678 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1nccs1 ZINC000826173791 608323415 /nfs/dbraw/zinc/32/34/15/608323415.db2.gz UWQBZXSRDLWENU-UHFFFAOYSA-N -1 3 319.415 2.765 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1nccs1 ZINC000826173791 608323417 /nfs/dbraw/zinc/32/34/17/608323417.db2.gz UWQBZXSRDLWENU-UHFFFAOYSA-N -1 3 319.415 2.765 20 0 DFADHM CCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825034805 608329350 /nfs/dbraw/zinc/32/93/50/608329350.db2.gz QIXWXTYYVMAVJW-UHFFFAOYSA-N -1 3 307.357 2.560 20 0 DFADHM CCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825034805 608329351 /nfs/dbraw/zinc/32/93/51/608329351.db2.gz QIXWXTYYVMAVJW-UHFFFAOYSA-N -1 3 307.357 2.560 20 0 DFADHM CCN(C(=O)C1CC(C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367163 608343733 /nfs/dbraw/zinc/34/37/33/608343733.db2.gz KBQWFPAHPDIEMS-UHFFFAOYSA-N -1 3 319.796 2.919 20 0 DFADHM CCN(C(=O)C1CC(C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367163 608343735 /nfs/dbraw/zinc/34/37/35/608343735.db2.gz KBQWFPAHPDIEMS-UHFFFAOYSA-N -1 3 319.796 2.919 20 0 DFADHM CCn1ccnc1SCc1cccc(-c2nnn[n-]2)c1F ZINC000825805062 608396055 /nfs/dbraw/zinc/39/60/55/608396055.db2.gz PZMIEHMZFYSPMJ-UHFFFAOYSA-N -1 3 304.354 2.515 20 0 DFADHM CCn1ccnc1SCc1cccc(-c2nn[n-]n2)c1F ZINC000825805062 608396056 /nfs/dbraw/zinc/39/60/56/608396056.db2.gz PZMIEHMZFYSPMJ-UHFFFAOYSA-N -1 3 304.354 2.515 20 0 DFADHM CCc1ncnc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1F ZINC000825755331 608396526 /nfs/dbraw/zinc/39/65/26/608396526.db2.gz UFMRKSXBSWEHBQ-SECBINFHSA-N -1 3 313.340 2.531 20 0 DFADHM CCc1ncnc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000825755331 608396527 /nfs/dbraw/zinc/39/65/27/608396527.db2.gz UFMRKSXBSWEHBQ-SECBINFHSA-N -1 3 313.340 2.531 20 0 DFADHM CCOC(=O)[C@@H](CC)SCc1cccc(-c2nnn[n-]2)c1F ZINC000825485230 608399481 /nfs/dbraw/zinc/39/94/81/608399481.db2.gz FUCJTTAZLLSHKY-LLVKDONJSA-N -1 3 324.381 2.581 20 0 DFADHM CCSCCSCCOc1ccccc1-c1nnn[n-]1 ZINC000825674888 608404217 /nfs/dbraw/zinc/40/42/17/608404217.db2.gz UERNDGZKJNNBHO-UHFFFAOYSA-N -1 3 310.448 2.732 20 0 DFADHM CCSCCSCCOc1ccccc1-c1nn[n-]n1 ZINC000825674888 608404219 /nfs/dbraw/zinc/40/42/19/608404219.db2.gz UERNDGZKJNNBHO-UHFFFAOYSA-N -1 3 310.448 2.732 20 0 DFADHM CC[C@@H](CSC)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000825126133 608416771 /nfs/dbraw/zinc/41/67/71/608416771.db2.gz HMQFTDHMTGVXHT-JTQLQIEISA-N -1 3 314.418 2.968 20 0 DFADHM CC[C@@H](CSC)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000825126133 608416773 /nfs/dbraw/zinc/41/67/73/608416773.db2.gz HMQFTDHMTGVXHT-JTQLQIEISA-N -1 3 314.418 2.968 20 0 DFADHM C[C@@H](c1ccccn1)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824771138 608417753 /nfs/dbraw/zinc/41/77/53/608417753.db2.gz PLODRNPYWKCWKS-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM C[C@@H](c1ccccn1)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824771138 608417755 /nfs/dbraw/zinc/41/77/55/608417755.db2.gz PLODRNPYWKCWKS-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM C[C@H](c1cccnc1)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824771125 608417979 /nfs/dbraw/zinc/41/79/79/608417979.db2.gz PDRZMEKNEPKTJM-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM C[C@H](c1cccnc1)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824771125 608417980 /nfs/dbraw/zinc/41/79/80/608417980.db2.gz PDRZMEKNEPKTJM-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1CC ZINC000825712334 608430980 /nfs/dbraw/zinc/43/09/80/608430980.db2.gz OHQSTXCYYHXGSY-UHFFFAOYSA-N -1 3 322.372 2.639 20 0 DFADHM CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1CC ZINC000825712334 608430982 /nfs/dbraw/zinc/43/09/82/608430982.db2.gz OHQSTXCYYHXGSY-UHFFFAOYSA-N -1 3 322.372 2.639 20 0 DFADHM CC(C)(C)SCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824123264 608434666 /nfs/dbraw/zinc/43/46/66/608434666.db2.gz BBDLBQVYPDUDMV-UHFFFAOYSA-N -1 3 324.381 2.581 20 0 DFADHM CC(C)(C)SCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824123264 608434668 /nfs/dbraw/zinc/43/46/68/608434668.db2.gz BBDLBQVYPDUDMV-UHFFFAOYSA-N -1 3 324.381 2.581 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826400849 608437355 /nfs/dbraw/zinc/43/73/55/608437355.db2.gz JSPMPVIPZDLFPL-MDZDMXLPSA-N -1 3 324.315 2.762 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826400849 608437356 /nfs/dbraw/zinc/43/73/56/608437356.db2.gz JSPMPVIPZDLFPL-MDZDMXLPSA-N -1 3 324.315 2.762 20 0 DFADHM C[C@H]1CC(Nc2c(F)cc(-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000824892546 608444848 /nfs/dbraw/zinc/44/48/48/608444848.db2.gz KCURRWVCQQBUSM-YUMQZZPRSA-N -1 3 309.320 2.513 20 0 DFADHM C[C@H]1CC(Nc2c(F)cc(-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000824892546 608444850 /nfs/dbraw/zinc/44/48/50/608444850.db2.gz KCURRWVCQQBUSM-YUMQZZPRSA-N -1 3 309.320 2.513 20 0 DFADHM CCC[C@H](C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825232638 608445689 /nfs/dbraw/zinc/44/56/89/608445689.db2.gz IXZUQYJHLFHORL-JTQLQIEISA-N -1 3 306.341 2.875 20 0 DFADHM CCC[C@H](C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825232638 608445691 /nfs/dbraw/zinc/44/56/91/608445691.db2.gz IXZUQYJHLFHORL-JTQLQIEISA-N -1 3 306.341 2.875 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824900285 608451416 /nfs/dbraw/zinc/45/14/16/608451416.db2.gz ULYCCOFUEYDCQS-DFYQSJSGSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824900285 608451418 /nfs/dbraw/zinc/45/14/18/608451418.db2.gz ULYCCOFUEYDCQS-DFYQSJSGSA-N -1 3 316.336 2.795 20 0 DFADHM Cc1cc(C)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)o1 ZINC000826263385 608451457 /nfs/dbraw/zinc/45/14/57/608451457.db2.gz YLIDOWBFOABOTB-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)o1 ZINC000826263385 608451459 /nfs/dbraw/zinc/45/14/59/608451459.db2.gz YLIDOWBFOABOTB-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cscc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826321284 608452014 /nfs/dbraw/zinc/45/20/14/608452014.db2.gz YQFCHXOCXDNEKW-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1cscc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826321284 608452016 /nfs/dbraw/zinc/45/20/16/608452016.db2.gz YQFCHXOCXDNEKW-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1ccc(CC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826286825 608473727 /nfs/dbraw/zinc/47/37/27/608473727.db2.gz RPPRLAIWRHYNOX-LLVKDONJSA-N -1 3 312.329 2.615 20 0 DFADHM Cc1ccc(CC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826286825 608473728 /nfs/dbraw/zinc/47/37/28/608473728.db2.gz RPPRLAIWRHYNOX-LLVKDONJSA-N -1 3 312.329 2.615 20 0 DFADHM O=C(C=C1CCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399263 608487102 /nfs/dbraw/zinc/48/71/02/608487102.db2.gz QYEHTUMAOQLYCJ-UHFFFAOYSA-N -1 3 321.384 2.593 20 0 DFADHM O=C(C=C1CCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399263 608487105 /nfs/dbraw/zinc/48/71/05/608487105.db2.gz QYEHTUMAOQLYCJ-UHFFFAOYSA-N -1 3 321.384 2.593 20 0 DFADHM CC(C)=C(C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824178138 608487891 /nfs/dbraw/zinc/48/78/91/608487891.db2.gz NGHMEYZJMWXKQJ-UHFFFAOYSA-N -1 3 323.400 2.839 20 0 DFADHM CC(C)=C(C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824178138 608487893 /nfs/dbraw/zinc/48/78/93/608487893.db2.gz NGHMEYZJMWXKQJ-UHFFFAOYSA-N -1 3 323.400 2.839 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1cccc(F)c1 ZINC000825980690 608498284 /nfs/dbraw/zinc/49/82/84/608498284.db2.gz GVSFBJYLOLRFDH-UHFFFAOYSA-N -1 3 303.366 2.699 20 0 DFADHM FC(F)(F)[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826367103 608501278 /nfs/dbraw/zinc/50/12/78/608501278.db2.gz MABXOAVAYLHYIT-MRVPVSSYSA-N -1 3 317.340 2.703 20 0 DFADHM C[C@@H](c1ccccc1F)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824773222 608518466 /nfs/dbraw/zinc/51/84/66/608518466.db2.gz ZZJMBBRHSVSXFS-JTQLQIEISA-N -1 3 301.325 2.792 20 0 DFADHM C[C@@H](c1ccccc1F)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824773222 608518467 /nfs/dbraw/zinc/51/84/67/608518467.db2.gz ZZJMBBRHSVSXFS-JTQLQIEISA-N -1 3 301.325 2.792 20 0 DFADHM CC1(C)CC[C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000824801431 608527641 /nfs/dbraw/zinc/52/76/41/608527641.db2.gz FMDWHTNHVUHKMW-SNVBAGLBSA-N -1 3 316.434 2.732 20 0 DFADHM CC1(C)CC[C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000824801431 608527643 /nfs/dbraw/zinc/52/76/43/608527643.db2.gz FMDWHTNHVUHKMW-SNVBAGLBSA-N -1 3 316.434 2.732 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)nc1NCc1ccc(Cl)cc1 ZINC000826280391 608541172 /nfs/dbraw/zinc/54/11/72/608541172.db2.gz ABRLXQFBWDQNDD-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM c1cncc(C2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826525240 608554134 /nfs/dbraw/zinc/55/41/34/608554134.db2.gz BNKXJKOAGAPRSQ-UHFFFAOYSA-N -1 3 306.373 2.646 20 0 DFADHM CCCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000142027414 608561212 /nfs/dbraw/zinc/56/12/12/608561212.db2.gz LUMJLDTYTQFOEX-UHFFFAOYSA-N -1 3 323.356 2.908 20 0 DFADHM CCCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000142027414 608561229 /nfs/dbraw/zinc/56/12/29/608561229.db2.gz LUMJLDTYTQFOEX-UHFFFAOYSA-N -1 3 323.356 2.908 20 0 DFADHM c1nn(-c2ccccc2)cc1NCc1ccccc1-c1nnn[n-]1 ZINC000826519594 608567258 /nfs/dbraw/zinc/56/72/58/608567258.db2.gz FXQADQPQOLLRIU-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM c1nn(-c2ccccc2)cc1NCc1ccccc1-c1nn[n-]n1 ZINC000826519594 608567259 /nfs/dbraw/zinc/56/72/59/608567259.db2.gz FXQADQPQOLLRIU-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM CC(C)CCCNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824244543 608574646 /nfs/dbraw/zinc/57/46/46/608574646.db2.gz SUBOKIISDXAQQQ-UHFFFAOYSA-N -1 3 307.785 2.686 20 0 DFADHM CC(C)CCCNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824244543 608574645 /nfs/dbraw/zinc/57/46/45/608574645.db2.gz SUBOKIISDXAQQQ-UHFFFAOYSA-N -1 3 307.785 2.686 20 0 DFADHM CO[C@@H]1[C@@H](C)[C@@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)C1(C)C ZINC000826144901 608587796 /nfs/dbraw/zinc/58/77/96/608587796.db2.gz VHXUGYBNQLBJBS-HAGUPOPPSA-N -1 3 323.347 2.616 20 0 DFADHM CO[C@@H]1[C@@H](C)[C@@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000826144901 608587798 /nfs/dbraw/zinc/58/77/98/608587798.db2.gz VHXUGYBNQLBJBS-HAGUPOPPSA-N -1 3 323.347 2.616 20 0 DFADHM CCOc1cccc([C@@H]2C[C@@H]2Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000825648982 608588733 /nfs/dbraw/zinc/58/87/33/608588733.db2.gz ISDXRCCDNMZMIG-GJZGRUSLSA-N -1 3 322.372 2.628 20 0 DFADHM CCOc1cccc([C@@H]2C[C@@H]2Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000825648982 608588734 /nfs/dbraw/zinc/58/87/34/608588734.db2.gz ISDXRCCDNMZMIG-GJZGRUSLSA-N -1 3 322.372 2.628 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000826278108 608601143 /nfs/dbraw/zinc/60/11/43/608601143.db2.gz RHBPSUJEQHCSLW-PWSUYJOCSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000826278108 608601145 /nfs/dbraw/zinc/60/11/45/608601145.db2.gz RHBPSUJEQHCSLW-PWSUYJOCSA-N -1 3 314.393 2.827 20 0 DFADHM COc1ccccc1N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826220232 608644730 /nfs/dbraw/zinc/64/47/30/608644730.db2.gz GWBYYEHJEBCYDV-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM COc1ccccc1N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000826220232 608644731 /nfs/dbraw/zinc/64/47/31/608644731.db2.gz GWBYYEHJEBCYDV-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM CN(Cc1c(F)cccc1Cl)c1cnccc1-c1nnn[n-]1 ZINC000825953223 608767192 /nfs/dbraw/zinc/76/71/92/608767192.db2.gz ASQBODUPUCFCHP-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1c(F)cccc1Cl)c1cnccc1-c1nn[n-]n1 ZINC000825953223 608767193 /nfs/dbraw/zinc/76/71/93/608767193.db2.gz ASQBODUPUCFCHP-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM Cc1ccc(CCCNc2cnccc2-c2nnn[n-]2)c(C)c1 ZINC000826287399 608769541 /nfs/dbraw/zinc/76/95/41/608769541.db2.gz NLJUYCPYXARCNN-UHFFFAOYSA-N -1 3 308.389 2.923 20 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IGKLPJVRBIWFPP-ZFWWWQNUSA-N -1 3 320.400 2.719 20 0 DFADHM C[C@H]1[C@H](Cc2ccccc2)CCN1c1cnccc1-c1nn[n-]n1 ZINC000824858180 608789043 /nfs/dbraw/zinc/78/90/43/608789043.db2.gz IGKLPJVRBIWFPP-ZFWWWQNUSA-N -1 3 320.400 2.719 20 0 DFADHM Cc1ccc(F)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826289978 608861707 /nfs/dbraw/zinc/86/17/07/608861707.db2.gz VBYOAVRCQPOTNK-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1ccc(F)cc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826289978 608861709 /nfs/dbraw/zinc/86/17/09/608861709.db2.gz VBYOAVRCQPOTNK-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cn1c(Cl)nc(Cl)c1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826355541 608868467 /nfs/dbraw/zinc/86/84/67/608868467.db2.gz DWYNHSMVZACLCU-UHFFFAOYSA-N -1 3 324.175 2.519 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1ccccn1 ZINC000826184829 609185230 /nfs/dbraw/zinc/18/52/30/609185230.db2.gz MKGMXIYEDNZYJQ-UHFFFAOYSA-N -1 3 313.386 2.704 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1ccccn1 ZINC000826184829 609185232 /nfs/dbraw/zinc/18/52/32/609185232.db2.gz MKGMXIYEDNZYJQ-UHFFFAOYSA-N -1 3 313.386 2.704 20 0 DFADHM CCC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000825242142 609208190 /nfs/dbraw/zinc/20/81/90/609208190.db2.gz JIRYUPKNRCSBMR-CYBMUJFWSA-N -1 3 316.409 2.674 20 0 DFADHM CCC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000825242142 609208192 /nfs/dbraw/zinc/20/81/92/609208192.db2.gz JIRYUPKNRCSBMR-CYBMUJFWSA-N -1 3 316.409 2.674 20 0 DFADHM CC(C)CC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824244030 609225211 /nfs/dbraw/zinc/22/52/11/609225211.db2.gz PPHSCJXWYSANOH-ZDUSSCGKSA-N -1 3 316.409 2.626 20 0 DFADHM CC(C)CC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824244030 609225213 /nfs/dbraw/zinc/22/52/13/609225213.db2.gz PPHSCJXWYSANOH-ZDUSSCGKSA-N -1 3 316.409 2.626 20 0 DFADHM CC1(C)CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824790809 609232358 /nfs/dbraw/zinc/23/23/58/609232358.db2.gz RIUISDLNIKMDDT-UHFFFAOYSA-N -1 3 316.409 2.530 20 0 DFADHM CC1(C)CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824790809 609232359 /nfs/dbraw/zinc/23/23/59/609232359.db2.gz RIUISDLNIKMDDT-UHFFFAOYSA-N -1 3 316.409 2.530 20 0 DFADHM C[C@H](Nc1cnn(CC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662274 609247153 /nfs/dbraw/zinc/24/71/53/609247153.db2.gz HHQGILPAUAJLTC-VIFPVBQESA-N -1 3 319.319 2.501 20 0 DFADHM C[C@H](Nc1cnn(CC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662274 609247155 /nfs/dbraw/zinc/24/71/55/609247155.db2.gz HHQGILPAUAJLTC-VIFPVBQESA-N -1 3 319.319 2.501 20 0 DFADHM C[C@H](Nc1cnn(CC2CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662543 609252961 /nfs/dbraw/zinc/25/29/61/609252961.db2.gz MOAVTSZWKMYYKW-NSHDSACASA-N -1 3 309.377 2.646 20 0 DFADHM C[C@H](Nc1cnn(CC2CC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662543 609252963 /nfs/dbraw/zinc/25/29/63/609252963.db2.gz MOAVTSZWKMYYKW-NSHDSACASA-N -1 3 309.377 2.646 20 0 DFADHM COc1cccnc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826221159 609254804 /nfs/dbraw/zinc/25/48/04/609254804.db2.gz RUBWPXFGDQKGOT-AWEZNQCLSA-N -1 3 322.372 2.760 20 0 DFADHM COc1cccnc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826221159 609254806 /nfs/dbraw/zinc/25/48/06/609254806.db2.gz RUBWPXFGDQKGOT-AWEZNQCLSA-N -1 3 322.372 2.760 20 0 DFADHM C[C@@H](OC(=O)C(C)(Cl)Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000824708619 609256304 /nfs/dbraw/zinc/25/63/04/609256304.db2.gz ZEPJFRCAAATTEE-SSDOTTSWSA-N -1 3 315.160 2.665 20 0 DFADHM C[C@@H](OC(=O)C(C)(Cl)Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824708619 609256305 /nfs/dbraw/zinc/25/63/05/609256305.db2.gz ZEPJFRCAAATTEE-SSDOTTSWSA-N -1 3 315.160 2.665 20 0 DFADHM CC(=O)Nc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823999995 609267063 /nfs/dbraw/zinc/26/70/63/609267063.db2.gz QCRMVWQQQOFTIK-NSHDSACASA-N -1 3 322.372 2.998 20 0 DFADHM CC(=O)Nc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823999995 609267065 /nfs/dbraw/zinc/26/70/65/609267065.db2.gz QCRMVWQQQOFTIK-NSHDSACASA-N -1 3 322.372 2.998 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(CF)cc1 ZINC000826176164 609267310 /nfs/dbraw/zinc/26/73/10/609267310.db2.gz DXQXLNWTMKKERR-UHFFFAOYSA-N -1 3 314.320 2.924 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(CF)cc1 ZINC000826176164 609267312 /nfs/dbraw/zinc/26/73/12/609267312.db2.gz DXQXLNWTMKKERR-UHFFFAOYSA-N -1 3 314.320 2.924 20 0 DFADHM CC(C)N(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCC1 ZINC000824285038 609299329 /nfs/dbraw/zinc/29/93/29/609299329.db2.gz UNGGECDYMICOEY-UHFFFAOYSA-N -1 3 319.796 2.923 20 0 DFADHM CC(C)N(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCC1 ZINC000824285038 609299330 /nfs/dbraw/zinc/29/93/30/609299330.db2.gz UNGGECDYMICOEY-UHFFFAOYSA-N -1 3 319.796 2.923 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CC(C)(C)OC2(C)C)n1 ZINC000826262185 609319893 /nfs/dbraw/zinc/31/98/93/609319893.db2.gz GYVOQSOZQHVXCH-NSHDSACASA-N -1 3 316.409 2.637 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2CC(C)(C)OC2(C)C)n1 ZINC000826262185 609319894 /nfs/dbraw/zinc/31/98/94/609319894.db2.gz GYVOQSOZQHVXCH-NSHDSACASA-N -1 3 316.409 2.637 20 0 DFADHM CCC(CC)[C@H]1C[C@H](Nc2cnccc2-c2nnn[n-]2)CCO1 ZINC000825106852 609321974 /nfs/dbraw/zinc/32/19/74/609321974.db2.gz JWIJQLVCJITCCH-IUODEOHRSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@H]1C[C@H](Nc2cnccc2-c2nn[n-]n2)CCO1 ZINC000825106852 609321976 /nfs/dbraw/zinc/32/19/76/609321976.db2.gz JWIJQLVCJITCCH-IUODEOHRSA-N -1 3 316.409 2.657 20 0 DFADHM C[C@H](NCc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824627290 609323671 /nfs/dbraw/zinc/32/36/71/609323671.db2.gz WDZLCXCQXHZWNI-JTQLQIEISA-N -1 3 315.327 2.996 20 0 DFADHM C[C@H](NCc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824627290 609323673 /nfs/dbraw/zinc/32/36/73/609323673.db2.gz WDZLCXCQXHZWNI-JTQLQIEISA-N -1 3 315.327 2.996 20 0 DFADHM Cc1ncc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826329913 609334220 /nfs/dbraw/zinc/33/42/20/609334220.db2.gz XSPNYIOFKFLQAW-MRVPVSSYSA-N -1 3 318.381 2.622 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1CCC(C)(C)C1 ZINC000826174241 609371682 /nfs/dbraw/zinc/37/16/82/609371682.db2.gz 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ZINC000824796848 609392597 /nfs/dbraw/zinc/39/25/97/609392597.db2.gz SUPCABUNOCTYJL-LLVKDONJSA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000824796848 609392599 /nfs/dbraw/zinc/39/25/99/609392599.db2.gz SUPCABUNOCTYJL-LLVKDONJSA-N -1 3 318.352 2.875 20 0 DFADHM CC(C)(O)c1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824173000 609433950 /nfs/dbraw/zinc/43/39/50/609433950.db2.gz UNNQSSQTDIULMM-UHFFFAOYSA-N -1 3 310.357 2.673 20 0 DFADHM CC(C)(O)c1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824173000 609433953 /nfs/dbraw/zinc/43/39/53/609433953.db2.gz UNNQSSQTDIULMM-UHFFFAOYSA-N -1 3 310.357 2.673 20 0 DFADHM CCOC(=O)[C@H](CC(C)C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000825486010 609448364 /nfs/dbraw/zinc/44/83/64/609448364.db2.gz LQDJIPMBPZAKRK-ZDUSSCGKSA-N -1 3 320.418 2.937 20 0 DFADHM CCOC(=O)[C@H](CC(C)C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000825486010 609448366 /nfs/dbraw/zinc/44/83/66/609448366.db2.gz LQDJIPMBPZAKRK-ZDUSSCGKSA-N -1 3 320.418 2.937 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccccn1 ZINC000824324291 609475706 /nfs/dbraw/zinc/47/57/06/609475706.db2.gz KCUVRGDMGZLZLC-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccccn1 ZINC000824324291 609475710 /nfs/dbraw/zinc/47/57/10/609475710.db2.gz KCUVRGDMGZLZLC-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM COc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1F ZINC000826210461 609476277 /nfs/dbraw/zinc/47/62/77/609476277.db2.gz SLGNRPPSZVESTF-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1F ZINC000826210461 609476279 /nfs/dbraw/zinc/47/62/79/609476279.db2.gz SLGNRPPSZVESTF-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cccnc1 ZINC000824324016 609478146 /nfs/dbraw/zinc/47/81/46/609478146.db2.gz FOTUYLHRTGTKNU-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM Cc1nc(C)c(CNc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000826324044 609486664 /nfs/dbraw/zinc/48/66/64/609486664.db2.gz BZPVHRJMRQLXET-UHFFFAOYSA-N -1 3 300.391 2.861 20 0 DFADHM Cc1nc(C)c(CNc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000826324044 609486665 /nfs/dbraw/zinc/48/66/65/609486665.db2.gz BZPVHRJMRQLXET-UHFFFAOYSA-N -1 3 300.391 2.861 20 0 DFADHM CCc1nnc(CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825767957 609487504 /nfs/dbraw/zinc/48/75/04/609487504.db2.gz VWQRBHPFKLHCML-UHFFFAOYSA-N -1 3 304.404 2.573 20 0 DFADHM CCc1nnc(CSc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825767957 609487508 /nfs/dbraw/zinc/48/75/08/609487508.db2.gz VWQRBHPFKLHCML-UHFFFAOYSA-N -1 3 304.404 2.573 20 0 DFADHM Fc1cccc(CCSc2ccc(-c3nnn[n-]3)cn2)c1F ZINC000826376568 609488644 /nfs/dbraw/zinc/48/86/44/609488644.db2.gz JKLFVVUIFAVXOX-UHFFFAOYSA-N -1 3 319.340 2.875 20 0 DFADHM Fc1cccc(CCSc2ccc(-c3nn[n-]n3)cn2)c1F ZINC000826376568 609488646 /nfs/dbraw/zinc/48/86/46/609488646.db2.gz JKLFVVUIFAVXOX-UHFFFAOYSA-N -1 3 319.340 2.875 20 0 DFADHM CC(C)Oc1ccc(N[C@@H]2CCO[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000824329359 609492169 /nfs/dbraw/zinc/49/21/69/609492169.db2.gz NEGYUJREYCAIBJ-DGCLKSJQSA-N -1 3 317.393 2.633 20 0 DFADHM CC(C)Oc1ccc(N[C@@H]2CCO[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000824329359 609492171 /nfs/dbraw/zinc/49/21/71/609492171.db2.gz NEGYUJREYCAIBJ-DGCLKSJQSA-N -1 3 317.393 2.633 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCC[C@H]1C ZINC000825621673 609494929 /nfs/dbraw/zinc/49/49/29/609494929.db2.gz WXQDZXLPEJYAAQ-PWSUYJOCSA-N -1 3 315.377 2.640 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCC[C@H]1C ZINC000825621673 609494931 /nfs/dbraw/zinc/49/49/31/609494931.db2.gz WXQDZXLPEJYAAQ-PWSUYJOCSA-N -1 3 315.377 2.640 20 0 DFADHM Cc1ccncc1C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826315663 609500299 /nfs/dbraw/zinc/50/02/99/609500299.db2.gz PKJJYKDVOZQAIJ-AATRIKPKSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1ccncc1C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826315663 609500302 /nfs/dbraw/zinc/50/03/02/609500302.db2.gz PKJJYKDVOZQAIJ-AATRIKPKSA-N -1 3 320.356 2.530 20 0 DFADHM C[C@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826232116 609508148 /nfs/dbraw/zinc/50/81/48/609508148.db2.gz 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/nfs/dbraw/zinc/51/88/61/609518861.db2.gz BXOCEMDFVOOLSF-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccnc(NCc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826314017 609518863 /nfs/dbraw/zinc/51/88/63/609518863.db2.gz BXOCEMDFVOOLSF-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825049579 609521230 /nfs/dbraw/zinc/52/12/30/609521230.db2.gz DAMQHRPVFZBOBA-SDDRHHMPSA-N -1 3 301.394 2.726 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825049579 609521232 /nfs/dbraw/zinc/52/12/32/609521232.db2.gz DAMQHRPVFZBOBA-SDDRHHMPSA-N -1 3 301.394 2.726 20 0 DFADHM O=C(C1=CCC1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826397436 609526726 /nfs/dbraw/zinc/52/67/26/609526726.db2.gz DCKKCEMUWZVARH-UHFFFAOYSA-N -1 3 321.340 2.713 20 0 DFADHM O=C(C1=CCC1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826397436 609526731 /nfs/dbraw/zinc/52/67/31/609526731.db2.gz DCKKCEMUWZVARH-UHFFFAOYSA-N -1 3 321.340 2.713 20 0 DFADHM Cc1ccnc(N2CCC[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826310954 609527090 /nfs/dbraw/zinc/52/70/90/609527090.db2.gz OMSAILVTXYQALY-AWEZNQCLSA-N -1 3 306.373 2.912 20 0 DFADHM Cc1ccnc(N2CCC[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826310954 609527091 /nfs/dbraw/zinc/52/70/91/609527091.db2.gz OMSAILVTXYQALY-AWEZNQCLSA-N -1 3 306.373 2.912 20 0 DFADHM Cc1ccnc(N2CCC(c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826309750 609529744 /nfs/dbraw/zinc/52/97/44/609529744.db2.gz ALHKQRQLPILZCD-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM Cc1ccnc(N2CCC(c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826309750 609529746 /nfs/dbraw/zinc/52/97/46/609529746.db2.gz ALHKQRQLPILZCD-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM Cc1ccnc(NCc2ccc([C@H]3C[C@H]3C)o2)c1-c1nnn[n-]1 ZINC000826314230 609538328 /nfs/dbraw/zinc/53/83/28/609538328.db2.gz MBVPMWFCTSGSFN-PWSUYJOCSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1ccnc(NCc2ccc([C@H]3C[C@H]3C)o2)c1-c1nn[n-]n1 ZINC000826314230 609538330 /nfs/dbraw/zinc/53/83/30/609538330.db2.gz MBVPMWFCTSGSFN-PWSUYJOCSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1c(Cl)cnc(NC[C@H]2CC=CCC2)c1-c1nnn[n-]1 ZINC000826240041 609541502 /nfs/dbraw/zinc/54/15/02/609541502.db2.gz ZEAOIKNZQGXGTL-JTQLQIEISA-N -1 3 304.785 2.992 20 0 DFADHM Cc1c(Cl)cnc(NC[C@H]2CC=CCC2)c1-c1nn[n-]n1 ZINC000826240041 609541504 /nfs/dbraw/zinc/54/15/04/609541504.db2.gz ZEAOIKNZQGXGTL-JTQLQIEISA-N -1 3 304.785 2.992 20 0 DFADHM Cc1ccnc(N[C@@H](C)c2cnn(C(C)C)c2)c1-c1nnn[n-]1 ZINC000826311303 609553689 /nfs/dbraw/zinc/55/36/89/609553689.db2.gz AHENTTCPTNUZPK-NSHDSACASA-N -1 3 312.381 2.521 20 0 DFADHM Cc1ccnc(N[C@@H](C)c2cnn(C(C)C)c2)c1-c1nn[n-]n1 ZINC000826311303 609553690 /nfs/dbraw/zinc/55/36/90/609553690.db2.gz AHENTTCPTNUZPK-NSHDSACASA-N -1 3 312.381 2.521 20 0 DFADHM CS[C@@H]1CCC[C@@H](Nc2nccc(C)c2-c2nnn[n-]2)C1 ZINC000826227731 609554719 /nfs/dbraw/zinc/55/47/19/609554719.db2.gz WQRAMUNRDQWIKZ-GHMZBOCLSA-N -1 3 304.423 2.656 20 0 DFADHM CS[C@@H]1CCC[C@@H](Nc2nccc(C)c2-c2nn[n-]n2)C1 ZINC000826227731 609554722 /nfs/dbraw/zinc/55/47/22/609554722.db2.gz WQRAMUNRDQWIKZ-GHMZBOCLSA-N -1 3 304.423 2.656 20 0 DFADHM Cc1ccnc(N[C@@H](C)COCc2ccccc2)c1-c1nnn[n-]1 ZINC000826311561 609562365 /nfs/dbraw/zinc/56/23/65/609562365.db2.gz HXTZMOMMDOFILR-ZDUSSCGKSA-N -1 3 324.388 2.587 20 0 DFADHM Cc1ccnc(N[C@@H](C)COCc2ccccc2)c1-c1nn[n-]n1 ZINC000826311561 609562366 /nfs/dbraw/zinc/56/23/66/609562366.db2.gz HXTZMOMMDOFILR-ZDUSSCGKSA-N -1 3 324.388 2.587 20 0 DFADHM Cc1ccnc(N2CC[C@](C)(c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826309753 609574157 /nfs/dbraw/zinc/57/41/57/609574157.db2.gz AMWDKFHPEJBJID-SFHVURJKSA-N -1 3 320.400 2.738 20 0 DFADHM Cc1ccnc(N2CC[C@](C)(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826309753 609574159 /nfs/dbraw/zinc/57/41/59/609574159.db2.gz AMWDKFHPEJBJID-SFHVURJKSA-N -1 3 320.400 2.738 20 0 DFADHM Clc1ccc(NCC[C@@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC000826352651 609581435 /nfs/dbraw/zinc/58/14/35/609581435.db2.gz JCDYHSPBTWVSCW-NSHDSACASA-N -1 3 307.785 2.891 20 0 DFADHM Clc1ccc(NCC[C@@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC000826352651 609581436 /nfs/dbraw/zinc/58/14/36/609581436.db2.gz JCDYHSPBTWVSCW-NSHDSACASA-N -1 3 307.785 2.891 20 0 DFADHM COc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C(C)=O ZINC000826211852 609587332 /nfs/dbraw/zinc/58/73/32/609587332.db2.gz XCFPAXXDLWJOIS-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM COc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C(C)=O ZINC000826211852 609587334 /nfs/dbraw/zinc/58/73/34/609587334.db2.gz XCFPAXXDLWJOIS-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM C[C@@H]1CC(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C[C@@H](C)C1 ZINC000824874671 609594627 /nfs/dbraw/zinc/59/46/27/609594627.db2.gz FQKPNWDMXXGXQU-UWVGGRQHSA-N -1 3 318.352 2.984 20 0 DFADHM C[C@@H]1CC(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C[C@@H](C)C1 ZINC000824874671 609594629 /nfs/dbraw/zinc/59/46/29/609594629.db2.gz FQKPNWDMXXGXQU-UWVGGRQHSA-N -1 3 318.352 2.984 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825051568 609597090 /nfs/dbraw/zinc/59/70/90/609597090.db2.gz RQIHKZUKWUFMGQ-ZRDIBKRKSA-N -1 3 300.362 2.965 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825051568 609597093 /nfs/dbraw/zinc/59/70/93/609597093.db2.gz RQIHKZUKWUFMGQ-ZRDIBKRKSA-N -1 3 300.362 2.965 20 0 DFADHM Cc1cc(C)cc([C@@H]2CCN(c3cnccc3-c3nnn[n-]3)C2)c1 ZINC000826264611 609602741 /nfs/dbraw/zinc/60/27/41/609602741.db2.gz UFUKZMSCEYPANR-CQSZACIVSA-N -1 3 320.400 2.872 20 0 DFADHM Cc1cc(C)cc([C@@H]2CCN(c3cnccc3-c3nn[n-]n3)C2)c1 ZINC000826264611 609602743 /nfs/dbraw/zinc/60/27/43/609602743.db2.gz UFUKZMSCEYPANR-CQSZACIVSA-N -1 3 320.400 2.872 20 0 DFADHM C[C@H]1CC[C@H](C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000824907245 609618027 /nfs/dbraw/zinc/61/80/27/609618027.db2.gz HFICJKUJSFOMQM-UWVGGRQHSA-N -1 3 320.780 3.000 20 0 DFADHM C[C@H]1CC[C@H](C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000824907245 609618029 /nfs/dbraw/zinc/61/80/29/609618029.db2.gz HFICJKUJSFOMQM-UWVGGRQHSA-N -1 3 320.780 3.000 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000825051431 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ZINC000597292133 398615631 /nfs/dbraw/zinc/61/56/31/398615631.db2.gz OZRGACIUBZTHIK-UHFFFAOYSA-N -1 3 311.403 2.576 20 0 DFADHM O=S(=O)([N-]c1ccncc1Br)c1ccccc1 ZINC000147720904 186041247 /nfs/dbraw/zinc/04/12/47/186041247.db2.gz GLJLWAGPKRISFO-UHFFFAOYSA-N -1 3 313.176 2.645 20 0 DFADHM O=C([O-])C1(NCc2cc(F)ccc2Br)CCC1 ZINC000147241766 186038819 /nfs/dbraw/zinc/03/88/19/186038819.db2.gz MEQMIMNQJZNEHD-UHFFFAOYSA-N -1 3 302.143 2.685 20 0 DFADHM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000590440475 398622265 /nfs/dbraw/zinc/62/22/65/398622265.db2.gz FOLZTDOSKCKCIL-OLZOCXBDSA-N -1 3 305.403 2.673 20 0 DFADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000590440479 398622864 /nfs/dbraw/zinc/62/28/64/398622864.db2.gz FOLZTDOSKCKCIL-STQMWFEESA-N -1 3 305.403 2.673 20 0 DFADHM COC(=O)c1ccc(-c2nc([C@H]3CCOC(C)(C)C3)no2)[n-]1 ZINC000351196587 398623377 /nfs/dbraw/zinc/62/33/77/398623377.db2.gz VGCNXUMBYCRUCC-VIFPVBQESA-N -1 3 305.334 2.524 20 0 DFADHM Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000072627476 398626105 /nfs/dbraw/zinc/62/61/05/398626105.db2.gz ZRSSCSXOHBJVSX-UHFFFAOYSA-N -1 3 318.760 2.723 20 0 DFADHM COCCCON=C([O-])Nc1cc(-c2ccccc2)ns1 ZINC000287134543 219335590 /nfs/dbraw/zinc/33/55/90/219335590.db2.gz NIESBGLXHMGTAX-UHFFFAOYSA-N -1 3 307.375 2.900 20 0 DFADHM COCCCO[N-]C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000287134543 219335592 /nfs/dbraw/zinc/33/55/92/219335592.db2.gz NIESBGLXHMGTAX-UHFFFAOYSA-N -1 3 307.375 2.900 20 0 DFADHM CSCCO[N-]C(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000280016407 215314188 /nfs/dbraw/zinc/31/41/88/215314188.db2.gz NLYOOEQYYWGNEW-UHFFFAOYSA-N -1 3 320.414 2.993 20 0 DFADHM O=c1cc(-c2noc(-c3cccc([C@H]4CCCOC4)c3)n2)nc[n-]1 ZINC000351369213 398633113 /nfs/dbraw/zinc/63/31/13/398633113.db2.gz LDLFSPOMKZSZPE-ZDUSSCGKSA-N -1 3 324.340 2.793 20 0 DFADHM CC(C)[C@@H](C(=O)Nc1ccc(Br)cc1[O-])N(C)C ZINC000110628694 282705949 /nfs/dbraw/zinc/70/59/49/282705949.db2.gz WZZJTIOVDDBUPP-LBPRGKRZSA-N -1 3 315.211 2.679 20 0 DFADHM Cc1csc(C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)n1 ZINC000191865056 186266734 /nfs/dbraw/zinc/26/67/34/186266734.db2.gz RKNRHHKBFQTOMR-UHFFFAOYSA-N -1 3 322.864 2.953 20 0 DFADHM CC(C)(C)OC(=O)[C@H](C(=O)Nc1ncccc1[O-])C(C)(C)C ZINC000597491520 398650054 /nfs/dbraw/zinc/65/00/54/398650054.db2.gz MGXISGIAAQEGFT-NSHDSACASA-N -1 3 308.378 2.730 20 0 DFADHM COC(=O)c1cc(C(=O)[N-]c2c(C)noc2C2CC2)c(C)o1 ZINC000597491524 398650434 /nfs/dbraw/zinc/65/04/34/398650434.db2.gz MJZXAUABMQATJW-UHFFFAOYSA-N -1 3 304.302 2.801 20 0 DFADHM O=C(Nc1ccccc1[O-])C1CCN(c2ncccc2F)CC1 ZINC000267815671 186366014 /nfs/dbraw/zinc/36/60/14/186366014.db2.gz VHSCOOZCXBFKIM-UHFFFAOYSA-N -1 3 315.348 2.781 20 0 DFADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000072992928 398654060 /nfs/dbraw/zinc/65/40/60/398654060.db2.gz WCYLSNNCLKBIKW-MRVPVSSYSA-N -1 3 316.329 2.609 20 0 DFADHM CSc1ccc([O-])c(C(=O)NCCCC(=O)OC(C)C)c1 ZINC000597514718 398654444 /nfs/dbraw/zinc/65/44/44/398654444.db2.gz SAPGOYXIGJNAIR-UHFFFAOYSA-N -1 3 311.403 2.576 20 0 DFADHM COc1cccc(C(=O)Nc2cccc(C[S@](C)=O)c2)c1[O-] ZINC000115264565 282736021 /nfs/dbraw/zinc/73/60/21/282736021.db2.gz IBHZCISKQRBYAV-JOCHJYFZSA-N -1 3 319.382 2.532 20 0 DFADHM CCc1cccc(C(=O)N2CCCC[C@@H]2c2ncon2)c1[O-] ZINC000094160935 398655916 /nfs/dbraw/zinc/65/59/16/398655916.db2.gz MAVBMJQQHONKBZ-CYBMUJFWSA-N -1 3 301.346 2.705 20 0 DFADHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000593620614 398663502 /nfs/dbraw/zinc/66/35/02/398663502.db2.gz DHXBUBSSVZPVKT-CHWSQXEVSA-N -1 3 321.414 2.917 20 0 DFADHM CN(C)CCOc1ccc(NC(=O)c2c([O-])cccc2F)cc1 ZINC000120123603 282780935 /nfs/dbraw/zinc/78/09/35/282780935.db2.gz BWVWHPXHBMJLNU-UHFFFAOYSA-N -1 3 318.348 2.724 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1OC(F)F ZINC000172369851 198086799 /nfs/dbraw/zinc/08/67/99/198086799.db2.gz XLUCYSHNDWAKSZ-NSHDSACASA-N -1 3 321.345 2.517 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)[n-]1 ZINC000593650176 398666038 /nfs/dbraw/zinc/66/60/38/398666038.db2.gz RABPZTVVQWLWNR-VIFPVBQESA-N -1 3 321.764 2.982 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)c[n-]1 ZINC000593650176 398666040 /nfs/dbraw/zinc/66/60/40/398666040.db2.gz RABPZTVVQWLWNR-VIFPVBQESA-N -1 3 321.764 2.982 20 0 DFADHM Cc1ccc(C(F)(F)C(=O)[N-][C@H](c2ncon2)C(C)C)cc1 ZINC000287228581 219394112 /nfs/dbraw/zinc/39/41/12/219394112.db2.gz WEJOCUWJSHJAGI-LBPRGKRZSA-N -1 3 309.316 2.983 20 0 DFADHM CCO[C@H](CC)C(=O)Nc1ccc(Br)cc1[O-] ZINC000098098465 398670903 /nfs/dbraw/zinc/67/09/03/398670903.db2.gz PCMXDMKPHNPDIJ-LLVKDONJSA-N -1 3 302.168 2.908 20 0 DFADHM CC(C)Oc1ccc(CNC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000045431146 398672694 /nfs/dbraw/zinc/67/26/94/398672694.db2.gz LUQKBVQNJKQNGS-UHFFFAOYSA-N -1 3 310.357 2.675 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000597650338 398674547 /nfs/dbraw/zinc/67/45/47/398674547.db2.gz WTSPKDAKRPDQSY-BRPSZJMVSA-N -1 3 309.749 2.817 20 0 DFADHM CC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1nccs1 ZINC000122686975 282835065 /nfs/dbraw/zinc/83/50/65/282835065.db2.gz LRWWTLUFOMCOSP-LBPRGKRZSA-N -1 3 319.386 2.688 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)o1 ZINC000331823101 234163818 /nfs/dbraw/zinc/16/38/18/234163818.db2.gz PTLAPLJBYPIKGQ-OZVIIMIRSA-N -1 3 321.398 2.820 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)o1 ZINC000331823093 234165031 /nfs/dbraw/zinc/16/50/31/234165031.db2.gz PTLAPLJBYPIKGQ-HSMVNMDESA-N -1 3 321.398 2.820 20 0 DFADHM O=S(=O)([N-]Cc1cscn1)c1c(Cl)cccc1Cl ZINC000051160027 425882711 /nfs/dbraw/zinc/88/27/11/425882711.db2.gz YXMCWEWEZBNDQO-UHFFFAOYSA-N -1 3 323.226 2.928 20 0 DFADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104897450 398690191 /nfs/dbraw/zinc/69/01/91/398690191.db2.gz MIDLLGXPINERGC-NHYWBVRUSA-N -1 3 314.385 2.659 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000104918483 398689948 /nfs/dbraw/zinc/68/99/48/398689948.db2.gz CMPOZRROPYOXQT-UHFFFAOYSA-N -1 3 310.353 2.862 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)C2CCCCC2)c1 ZINC000173983145 198275752 /nfs/dbraw/zinc/27/57/52/198275752.db2.gz ZRYRULJPMKIVQH-UHFFFAOYSA-N -1 3 310.419 2.885 20 0 DFADHM O=C([O-])[C@@H]1CC12CCN(CCOc1cccc(Cl)c1)CC2 ZINC000405463973 398695192 /nfs/dbraw/zinc/69/51/92/398695192.db2.gz ZFDBATDOWIQWCX-AWEZNQCLSA-N -1 3 309.793 2.906 20 0 DFADHM CN(CCCOc1ccccc1)C(=O)c1c([O-])cccc1O ZINC000125660272 282886160 /nfs/dbraw/zinc/88/61/60/282886160.db2.gz HGHSUOFNPQYKPR-UHFFFAOYSA-N -1 3 301.342 2.639 20 0 DFADHM CCOc1cccc([C@@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000125743397 282887849 /nfs/dbraw/zinc/88/78/49/282887849.db2.gz ICFHHJBSCOFTMC-LLVKDONJSA-N -1 3 301.342 2.988 20 0 DFADHM CC(C)(CNC(=O)c1c([O-])cccc1O)c1cccc(F)c1 ZINC000125805503 282890548 /nfs/dbraw/zinc/89/05/48/282890548.db2.gz CIKBDCSWZFGPCX-UHFFFAOYSA-N -1 3 303.333 2.945 20 0 DFADHM O=C(CCC1CCCC1)NCC(=O)Nc1cc(F)ccc1[O-] ZINC000174869236 198394968 /nfs/dbraw/zinc/39/49/68/198394968.db2.gz FECKJZKUDOLBBC-UHFFFAOYSA-N -1 3 308.353 2.556 20 0 DFADHM COc1cccc(C(=O)NCCCOc2ccc(F)cc2)c1[O-] ZINC000126569131 282915074 /nfs/dbraw/zinc/91/50/74/282915074.db2.gz BAWUWTSJNLSBCY-UHFFFAOYSA-N -1 3 319.332 2.739 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000126820216 282923674 /nfs/dbraw/zinc/92/36/74/282923674.db2.gz VSEFBKJNLCXERQ-ZDUSSCGKSA-N -1 3 322.368 2.772 20 0 DFADHM COc1cccc(C(=O)N(C)[C@@H]2C[C@](C)(OC)C2(C)C)c1[O-] ZINC000175450892 198477195 /nfs/dbraw/zinc/47/71/95/198477195.db2.gz HEPFQOSBNCFGDE-DYVFJYSZSA-N -1 3 307.390 2.676 20 0 DFADHM Cc1nc(C)c(CCC(=O)N(C)C2CCCCCC2)c(=O)[n-]1 ZINC000073155853 191285745 /nfs/dbraw/zinc/28/57/45/191285745.db2.gz TYNVTSFILJHALW-UHFFFAOYSA-N -1 3 305.422 2.501 20 0 DFADHM COC(=O)c1cc([N-]C(=O)c2coc(C3CC3)n2)c(C)s1 ZINC000591009324 398713982 /nfs/dbraw/zinc/71/39/82/398713982.db2.gz KQYFFKMCIZPBPB-UHFFFAOYSA-N -1 3 306.343 2.961 20 0 DFADHM CCCCOc1ncccc1CNC(=O)c1cccc([O-])c1 ZINC000182232487 199407425 /nfs/dbraw/zinc/40/74/25/199407425.db2.gz MXVFIYLGCOUZFL-UHFFFAOYSA-N -1 3 300.358 2.896 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1ccc2c(c1)CCO2 ZINC000109625461 398718302 /nfs/dbraw/zinc/71/83/02/398718302.db2.gz RHMIYBHTECSTDF-UHFFFAOYSA-N -1 3 324.315 2.798 20 0 DFADHM CSCC[C@H](NCc1sccc1Br)C(=O)[O-] ZINC000277055263 213266900 /nfs/dbraw/zinc/26/69/00/213266900.db2.gz SVDLVOVFFBGRKV-QMMMGPOBSA-N -1 3 324.265 2.807 20 0 DFADHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000129115137 283003009 /nfs/dbraw/zinc/00/30/09/283003009.db2.gz UIWAIMIMBBPYSU-NSHDSACASA-N -1 3 322.380 2.755 20 0 DFADHM Cc1ccc([O-])c(CN2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000129146206 283003711 /nfs/dbraw/zinc/00/37/11/283003711.db2.gz ZPFQRLYOHYAHLB-UHFFFAOYSA-N -1 3 315.392 2.553 20 0 DFADHM Cc1cc(-n2cncn2)ccc1C(=O)Nc1cccc([O-])c1F ZINC000129164037 283004503 /nfs/dbraw/zinc/00/45/03/283004503.db2.gz GYZSQPNFCZNEAR-UHFFFAOYSA-N -1 3 312.304 2.673 20 0 DFADHM COc1ccc2c(c1)C=C(C(=O)Nc1cccc([O-])c1F)CO2 ZINC000129184896 283005341 /nfs/dbraw/zinc/00/53/41/283005341.db2.gz KVRBXRGOGPXJLI-UHFFFAOYSA-N -1 3 315.300 2.954 20 0 DFADHM C[C@H](C(=O)Nc1cccc([O-])c1F)N1CCc2ccccc2C1 ZINC000129348468 283011615 /nfs/dbraw/zinc/01/16/15/283011615.db2.gz ZWRSEHHTOAKPOT-GFCCVEGCSA-N -1 3 314.360 2.917 20 0 DFADHM CCc1cc(C(=O)N2CC[C@@H](Oc3ccccn3)C2)ccc1[O-] ZINC000292229409 222924824 /nfs/dbraw/zinc/92/48/24/222924824.db2.gz QZLQNCXAEBOHLI-OAHLLOKOSA-N -1 3 312.369 2.643 20 0 DFADHM Cc1ccc([O-])c(C(=O)NC[C@@]2(C)OCCc3sccc32)c1 ZINC000460980289 299216266 /nfs/dbraw/zinc/21/62/66/299216266.db2.gz NUPJABGQZVUHMB-QGZVFWFLSA-N -1 3 317.410 2.980 20 0 DFADHM C[C@@H](CC(=O)Nc1cccc([O-])c1F)NC(=O)C1CCCC1 ZINC000129542917 283019485 /nfs/dbraw/zinc/01/94/85/283019485.db2.gz RTTGHTICEJTWCO-JTQLQIEISA-N -1 3 308.353 2.555 20 0 DFADHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000129756953 283027519 /nfs/dbraw/zinc/02/75/19/283027519.db2.gz OOWIJAOPLHEKOF-SECBINFHSA-N -1 3 305.353 2.699 20 0 DFADHM CC[C@H](NC(=O)c1ccc(OC)cc1[O-])c1c(C)noc1C ZINC000129710393 283025891 /nfs/dbraw/zinc/02/58/91/283025891.db2.gz TUHNGWJHKUPBCD-ZDUSSCGKSA-N -1 3 304.346 2.887 20 0 DFADHM CC[C@@]1(C)C[C@@H]1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461230917 299217908 /nfs/dbraw/zinc/21/79/08/299217908.db2.gz FRCCFSDJNSXRCP-BZNIZROVSA-N -1 3 318.808 2.932 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)c2cccs2)c(CN(C)C)c1 ZINC000073314358 191303548 /nfs/dbraw/zinc/30/35/48/191303548.db2.gz JXMNZPUBULAXJK-UHFFFAOYSA-N -1 3 310.444 2.919 20 0 DFADHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000111356206 398726998 /nfs/dbraw/zinc/72/69/98/398726998.db2.gz XVZUPIUJLRJBQZ-UHFFFAOYSA-N -1 3 316.835 2.626 20 0 DFADHM Cc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c([O-])c1C ZINC000130354802 283046659 /nfs/dbraw/zinc/04/66/59/283046659.db2.gz JQYVCPRCWYYYDA-UHFFFAOYSA-N -1 3 322.364 2.784 20 0 DFADHM O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1ccc(C(F)(F)F)s1 ZINC000462071589 299221802 /nfs/dbraw/zinc/22/18/02/299221802.db2.gz FIGFDUULVXOFQT-MTBHXBHISA-N -1 3 311.350 2.844 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2nc3c(cccc3C)[nH]2)c1 ZINC000130735114 283059457 /nfs/dbraw/zinc/05/94/57/283059457.db2.gz WGCPBRVJHGQTDD-UHFFFAOYSA-N -1 3 311.341 2.516 20 0 DFADHM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(-n2cccn2)c1 ZINC000177008522 198649274 /nfs/dbraw/zinc/64/92/74/198649274.db2.gz OGZCHCKMZWMBFL-SECBINFHSA-N -1 3 315.270 2.950 20 0 DFADHM CCc1cccc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000131003770 283068296 /nfs/dbraw/zinc/06/82/96/283068296.db2.gz LRVLSSIOEVYQCI-GUYCJALGSA-N -1 3 321.442 2.739 20 0 DFADHM CSCC[C@@H](NCc1cccc2c1OC(C)(C)C2)C(=O)[O-] ZINC000276984697 213219708 /nfs/dbraw/zinc/21/97/08/213219708.db2.gz IYUROZYFUIINOT-CYBMUJFWSA-N -1 3 309.431 2.696 20 0 DFADHM C[C@@H](CN1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000131045970 283069755 /nfs/dbraw/zinc/06/97/55/283069755.db2.gz PWGGPYRJDVITLY-INIZCTEOSA-N -1 3 324.424 2.954 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@H](C)[C@@H]1C)c2=O ZINC000332519267 235055844 /nfs/dbraw/zinc/05/58/44/235055844.db2.gz LJGJIHCKRKVVMC-RYUDHWBXSA-N -1 3 314.385 2.797 20 0 DFADHM CSCC1(CCNC(=O)c2c[n-]nc2-c2ccccn2)CC1 ZINC000597986665 398733642 /nfs/dbraw/zinc/73/36/42/398733642.db2.gz BNBXXZLRJQBCEW-UHFFFAOYSA-N -1 3 316.430 2.735 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1cc2c(cc1F)NC(=O)CC2 ZINC000131237463 283076865 /nfs/dbraw/zinc/07/68/65/283076865.db2.gz ZAIRKIPFVGTFAQ-UHFFFAOYSA-N -1 3 318.279 2.807 20 0 DFADHM O=C(N[C@H]1CCC[C@@H](CO)C1)c1ccc2c(c1[O-])CCCC2 ZINC000332576576 235132563 /nfs/dbraw/zinc/13/25/63/235132563.db2.gz CVYKSGYFGCXURD-OCCSQVGLSA-N -1 3 303.402 2.552 20 0 DFADHM CCC(=O)c1cccc(S(=O)(=O)Nc2cccc([O-])c2F)c1 ZINC000131512614 283088416 /nfs/dbraw/zinc/08/84/16/283088416.db2.gz SHAJZZRJWMDZJS-UHFFFAOYSA-N -1 3 323.345 2.925 20 0 DFADHM CCCC[C@H]([N-]S(=O)(=O)CCCC)C(=O)OC(C)(C)C ZINC000462657755 299229169 /nfs/dbraw/zinc/22/91/69/299229169.db2.gz FWPFDMDJQWUHNL-LBPRGKRZSA-N -1 3 307.456 2.606 20 0 DFADHM CCCC[C@H]([N-]S(=O)(=O)C[C@@H](C)CC)C(=O)OC(C)(C)C ZINC000462659845 299229208 /nfs/dbraw/zinc/22/92/08/299229208.db2.gz JIURMIOMXVKGCV-STQMWFEESA-N -1 3 321.483 2.852 20 0 DFADHM O=C(CCc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000074803961 191363709 /nfs/dbraw/zinc/36/37/09/191363709.db2.gz RDMJRMQVAOTTCJ-UHFFFAOYSA-N -1 3 311.320 2.577 20 0 DFADHM O=C(CCc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000074803961 191363710 /nfs/dbraw/zinc/36/37/10/191363710.db2.gz RDMJRMQVAOTTCJ-UHFFFAOYSA-N -1 3 311.320 2.577 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000074803941 191364045 /nfs/dbraw/zinc/36/40/45/191364045.db2.gz IIHVRCKERJNECX-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000074803941 191364046 /nfs/dbraw/zinc/36/40/46/191364046.db2.gz IIHVRCKERJNECX-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(F)c1F ZINC000074803945 191364132 /nfs/dbraw/zinc/36/41/32/191364132.db2.gz OFVSXXSETRECNZ-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1F ZINC000074803945 191364135 /nfs/dbraw/zinc/36/41/35/191364135.db2.gz OFVSXXSETRECNZ-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000591269646 398743540 /nfs/dbraw/zinc/74/35/40/398743540.db2.gz LBIYEABAQJRDML-HNNXBMFYSA-N -1 3 319.401 2.796 20 0 DFADHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000462723088 299230294 /nfs/dbraw/zinc/23/02/94/299230294.db2.gz ZEMQRBZBFKFBMG-CYBMUJFWSA-N -1 3 323.389 2.880 20 0 DFADHM CCOC(=O)CCC1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000591269651 398744932 /nfs/dbraw/zinc/74/49/32/398744932.db2.gz LXVNCASMMHTRHH-UHFFFAOYSA-N -1 3 319.401 2.940 20 0 DFADHM COc1cccc([C@H]2C[C@H]2C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000132664889 283126209 /nfs/dbraw/zinc/12/62/09/283126209.db2.gz QGVDUKDLIIZNHZ-HUUCEWRRSA-N -1 3 315.344 2.960 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(-c2ccccc2)c1 ZINC000133072636 283139334 /nfs/dbraw/zinc/13/93/34/283139334.db2.gz PKOROQQGVJJGJJ-UHFFFAOYSA-N -1 3 311.316 2.647 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCOCc2ccccc2)c(F)c1 ZINC000080800025 192192308 /nfs/dbraw/zinc/19/23/08/192192308.db2.gz MNLPUIPZUIARTL-UHFFFAOYSA-N -1 3 323.389 2.629 20 0 DFADHM COC(=O)[C@@H]1CCN(C(=O)c2cccc([O-])c2)[C@@H]2CCCC[C@H]12 ZINC000598163876 398763304 /nfs/dbraw/zinc/76/33/04/398763304.db2.gz QPMXMRIDZMEAAJ-BZUAXINKSA-N -1 3 317.385 2.586 20 0 DFADHM C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])CN1C1CC1 ZINC000133628815 283156969 /nfs/dbraw/zinc/15/69/69/283156969.db2.gz ZENVQMLABNPUOF-SWLSCSKDSA-N -1 3 310.397 2.900 20 0 DFADHM C[C@@H]1C[C@H](NC(=O)c2ccc3ccccc3c2[O-])CN1C1CC1 ZINC000133656674 283157573 /nfs/dbraw/zinc/15/75/73/283157573.db2.gz SSVBFJJBFXINHT-OCCSQVGLSA-N -1 3 310.397 2.900 20 0 DFADHM Cc1cccc(C(=O)Nc2nncn2Cc2ccccc2)c1[O-] ZINC000117736251 398766940 /nfs/dbraw/zinc/76/69/40/398766940.db2.gz HTQDBMSEAGSWRM-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@]23C[C@@H]2CCC3)c1[O-] ZINC000591534496 398770822 /nfs/dbraw/zinc/77/08/22/398770822.db2.gz VVPKIKDDDMGIKM-AYVTZFPOSA-N -1 3 309.749 2.961 20 0 DFADHM COc1cccc(C(=O)N2CCSC[C@H]2C2CCC2)c1[O-] ZINC000416120053 295922423 /nfs/dbraw/zinc/92/24/23/295922423.db2.gz ZLTHEBLUNPCVBG-ZDUSSCGKSA-N -1 3 307.415 2.759 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000081651959 192307753 /nfs/dbraw/zinc/30/77/53/192307753.db2.gz LCXWNPREBNWJRU-OAHLLOKOSA-N -1 3 319.401 2.501 20 0 DFADHM Cc1cccc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1[O-] ZINC000081652487 192307816 /nfs/dbraw/zinc/30/78/16/192307816.db2.gz KWCXVKMWUOJVQD-HNNXBMFYSA-N -1 3 319.401 2.501 20 0 DFADHM O=C(Cc1ccc(F)cc1Cl)Nc1nnc(C(F)(F)F)[n-]1 ZINC000134865627 283201652 /nfs/dbraw/zinc/20/16/52/283201652.db2.gz ROZUFEKJHZKNER-UHFFFAOYSA-N -1 3 322.649 2.797 20 0 DFADHM O=C(Cc1ccc(F)cc1Cl)Nc1nc(C(F)(F)F)n[n-]1 ZINC000134865627 283201656 /nfs/dbraw/zinc/20/16/56/283201656.db2.gz ROZUFEKJHZKNER-UHFFFAOYSA-N -1 3 322.649 2.797 20 0 DFADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000086515550 192577788 /nfs/dbraw/zinc/57/77/88/192577788.db2.gz JUHPXNKLDBDDDC-UHFFFAOYSA-N -1 3 324.229 2.887 20 0 DFADHM Cc1cccc([C@H](NCc2cnn(C(C)C)c2)C(=O)[O-])c1C ZINC000276938096 213188970 /nfs/dbraw/zinc/18/89/70/213188970.db2.gz ACLNSHOLMFBMLI-INIZCTEOSA-N -1 3 301.390 2.996 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)CCc2ccccc2)c[nH]1 ZINC000122636563 398793447 /nfs/dbraw/zinc/79/34/47/398793447.db2.gz MFWJWSULHPZRNH-CYBMUJFWSA-N -1 3 321.446 2.833 20 0 DFADHM COc1ccc(CN(C)C(=O)c2cc(C)ccc2[O-])cc1O ZINC000135526741 283223762 /nfs/dbraw/zinc/22/37/62/283223762.db2.gz BKWCMUJNQNURCX-UHFFFAOYSA-N -1 3 301.342 2.687 20 0 DFADHM CCCC[C@@H](CC)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136990490 283246871 /nfs/dbraw/zinc/24/68/71/283246871.db2.gz XBIIMQJFQRGCNL-CYBMUJFWSA-N -1 3 301.394 2.945 20 0 DFADHM CCCC[C@@H](CC)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136990490 283246873 /nfs/dbraw/zinc/24/68/73/283246873.db2.gz XBIIMQJFQRGCNL-CYBMUJFWSA-N -1 3 301.394 2.945 20 0 DFADHM CCOC1CC(CCNC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000276845585 213129783 /nfs/dbraw/zinc/12/97/83/213129783.db2.gz HOXCJYOZSLKIFA-UHFFFAOYSA-N -1 3 314.385 2.875 20 0 DFADHM O=C(c1ccccc1[O-])N1CCN(CC2CCCCC2)CC1 ZINC000050009007 398802443 /nfs/dbraw/zinc/80/24/43/398802443.db2.gz BSTOQRAEJSWKNT-UHFFFAOYSA-N -1 3 302.418 2.730 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCC23CCCC3)cn1C ZINC000416467385 295949526 /nfs/dbraw/zinc/94/95/26/295949526.db2.gz BODIJVGGYPSGSB-GFCCVEGCSA-N -1 3 311.451 2.545 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cnn(CC3CC3)c2)c1[O-] ZINC000075486588 398806938 /nfs/dbraw/zinc/80/69/38/398806938.db2.gz REJBTHPYXGPEBG-UHFFFAOYSA-N -1 3 301.346 2.568 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000075504721 398807463 /nfs/dbraw/zinc/80/74/63/398807463.db2.gz AJGBUFDFBPCEGD-UWVGGRQHSA-N -1 3 303.362 2.516 20 0 DFADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)C)C2)cc1F ZINC000416526398 295952507 /nfs/dbraw/zinc/95/25/07/295952507.db2.gz KRKSTMPCFDDVKP-PHIMTYICSA-N -1 3 319.373 2.508 20 0 DFADHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)O1 ZINC000416529826 295952859 /nfs/dbraw/zinc/95/28/59/295952859.db2.gz FHSVKAQBJOMAJU-NXEZZACHSA-N -1 3 323.336 2.551 20 0 DFADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)oc1C ZINC000151657632 283291681 /nfs/dbraw/zinc/29/16/81/283291681.db2.gz STFSVQWTQMUTMY-UHFFFAOYSA-N -1 3 308.359 2.520 20 0 DFADHM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000416549926 295953969 /nfs/dbraw/zinc/95/39/69/295953969.db2.gz PLMCHEFJTCKSIX-JQWIXIFHSA-N -1 3 322.352 2.813 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@@H](c2ccccc2)O1 ZINC000179454356 199038589 /nfs/dbraw/zinc/03/85/89/199038589.db2.gz BCTLUKGUVPJGNL-PXAZEXFGSA-N -1 3 313.353 2.700 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)O[C@H]2C)sc1Cl ZINC000416600468 295957541 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O=C([O-])[C@@H](NCc1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000417587782 296033333 /nfs/dbraw/zinc/03/33/33/296033333.db2.gz DSMNTNCKSXIBPV-PELKAZGASA-N -1 3 304.173 2.573 20 0 DFADHM Cc1cc(Cl)cc(C)c1CN[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000417592541 296033526 /nfs/dbraw/zinc/03/35/26/296033526.db2.gz GXSFZDRDKAVSBV-CQSZACIVSA-N -1 3 307.781 2.606 20 0 DFADHM O=C(c1cccc([O-])c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000292834985 223265832 /nfs/dbraw/zinc/26/58/32/223265832.db2.gz WYIHHGGRTXVAHY-INIZCTEOSA-N -1 3 301.342 2.807 20 0 DFADHM COc1ccc(Br)c(CN[C@H](C)CCC(=O)[O-])c1 ZINC000417607233 296035060 /nfs/dbraw/zinc/03/50/60/296035060.db2.gz GQRQNNLXTURGHS-SECBINFHSA-N -1 3 316.195 2.801 20 0 DFADHM CCCn1ccc2cc([N-]S(=O)(=O)C[C@H](C)OC)ccc21 ZINC000193320230 201029570 /nfs/dbraw/zinc/02/95/70/201029570.db2.gz DUFGGDIDXKKBFQ-LBPRGKRZSA-N -1 3 310.419 2.828 20 0 DFADHM COc1ccc(Br)c(CN[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000417619396 296036180 /nfs/dbraw/zinc/03/61/80/296036180.db2.gz ZKGYFGAPKBAVFM-RKDXNWHRSA-N 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COc1ccc([N-]S(=O)(=O)C[C@H](C)OC)c2ccccc12 ZINC000629327229 399573517 /nfs/dbraw/zinc/57/35/17/399573517.db2.gz UZYPIPHYCMVSMM-NSHDSACASA-N -1 3 309.387 2.625 20 0 DFADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c[nH]c(=O)s2)c2ccccc21 ZINC000632124088 399576597 /nfs/dbraw/zinc/57/65/97/399576597.db2.gz RHPNYAHUXWFOQD-LLVKDONJSA-N -1 3 324.427 2.550 20 0 DFADHM NC(=O)[N-]C(=O)OCCCS[C@H]1CCCc2ccccc21 ZINC000157577419 197198726 /nfs/dbraw/zinc/19/87/26/197198726.db2.gz SDENBHXNLNSCGD-ZDUSSCGKSA-N -1 3 308.403 2.992 20 0 DFADHM Cc1cc(C)cc(OCCN2CCc3occc3[C@@H]2C(=O)[O-])c1 ZINC000629367191 399580511 /nfs/dbraw/zinc/58/05/11/399580511.db2.gz MEVQRSFBIHLWTE-QGZVFWFLSA-N -1 3 315.369 2.959 20 0 DFADHM CO[C@@H](CN1CCc2occc2[C@H]1C(=O)[O-])C1CCCCC1 ZINC000629365964 399579093 /nfs/dbraw/zinc/57/90/93/399579093.db2.gz BYPXVDOGEDKRTG-HOTGVXAUSA-N -1 3 307.390 2.859 20 0 DFADHM C[C@@H]1CN(CCOc2ccccc2C(=O)[O-])C[C@@H](C)C1(F)F ZINC000629363199 399579175 /nfs/dbraw/zinc/57/91/75/399579175.db2.gz BTGFRJAGICBWOG-VXGBXAGGSA-N -1 3 313.344 2.987 20 0 DFADHM O=C([O-])c1cccc(CNC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000263376514 304260372 /nfs/dbraw/zinc/26/03/72/304260372.db2.gz CAKWWKYNYCHWGO-INIZCTEOSA-N -1 3 314.385 2.905 20 0 DFADHM O=C([O-])c1cnc(C2CCN(CCc3cncs3)CC2)s1 ZINC000629369055 399581569 /nfs/dbraw/zinc/58/15/69/399581569.db2.gz KSGOTRUWCVVKFU-UHFFFAOYSA-N -1 3 323.443 2.720 20 0 DFADHM CC(C)OCCCN1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000629369379 399581718 /nfs/dbraw/zinc/58/17/18/399581718.db2.gz YKAZPZOGVAQZMD-UHFFFAOYSA-N -1 3 312.435 2.836 20 0 DFADHM CCOc1cccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)n1 ZINC000629373327 399583418 /nfs/dbraw/zinc/58/34/18/399583418.db2.gz HZMJRMMKSHFRGM-ILXRZTDVSA-N -1 3 304.390 2.556 20 0 DFADHM COc1nc(C)cc(C)c1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000629373392 399583850 /nfs/dbraw/zinc/58/38/50/399583850.db2.gz IRQPQCZOXNYZBF-YCPHGPKFSA-N -1 3 318.417 2.782 20 0 DFADHM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CCCC1 ZINC000625547735 399583959 /nfs/dbraw/zinc/58/39/59/399583959.db2.gz PFCCZOSFGGTPLM-UHFFFAOYSA-N -1 3 319.785 2.517 20 0 DFADHM CC1(C(=O)C[N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000625549490 399584518 /nfs/dbraw/zinc/58/45/18/399584518.db2.gz SVBGRNZWTREWRD-LSDHHAIUSA-N -1 3 321.442 2.611 20 0 DFADHM CC(C)NC(=O)[C@@H]1CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625559846 399586338 /nfs/dbraw/zinc/58/63/38/399586338.db2.gz FHYOPRDXBNJBQC-GFCCVEGCSA-N -1 3 310.825 2.782 20 0 DFADHM CCOc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)nc1 ZINC000629377485 399586346 /nfs/dbraw/zinc/58/63/46/399586346.db2.gz MRYUCTDEAWOSKR-JYJNAYRXSA-N -1 3 304.390 2.556 20 0 DFADHM O=C(C[C@H]1CCCN1C(=O)Cc1cncc([O-])c1)c1ccccc1 ZINC000612124611 399588531 /nfs/dbraw/zinc/58/85/31/399588531.db2.gz JMXGHSTYJFXJSX-MRXNPFEDSA-N -1 3 324.380 2.594 20 0 DFADHM CCCC1(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000347829435 285193813 /nfs/dbraw/zinc/19/38/13/285193813.db2.gz LZULWXQSQRRWBE-UHFFFAOYSA-N -1 3 307.337 2.963 20 0 DFADHM CCCCOC1CCN(C(=O)/C=C\c2cncc([O-])c2)CC1 ZINC000492403642 299582104 /nfs/dbraw/zinc/58/21/04/299582104.db2.gz ZNBJJEKUHBTMAY-PLNGDYQASA-N -1 3 304.390 2.608 20 0 DFADHM Cc1cccc2cc(S(=O)(=O)[N-]C[C@@H]3CCCN3C)sc21 ZINC000625619752 399596918 /nfs/dbraw/zinc/59/69/18/399596918.db2.gz NZCIAAYZNAZNLE-ZDUSSCGKSA-N -1 3 324.471 2.582 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@@H](C)c3ccccn3)ccc2[n-]1 ZINC000617072051 399596203 /nfs/dbraw/zinc/59/62/03/399596203.db2.gz UMJYFGFBQHLQAT-GFCCVEGCSA-N -1 3 324.384 2.890 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@@H](C)c3ccccn3)cc2[n-]1 ZINC000617072051 399596207 /nfs/dbraw/zinc/59/62/07/399596207.db2.gz UMJYFGFBQHLQAT-GFCCVEGCSA-N -1 3 324.384 2.890 20 0 DFADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000156097200 197085957 /nfs/dbraw/zinc/08/59/57/197085957.db2.gz QPDJQMGZSLQPKU-NHYWBVRUSA-N -1 3 314.385 2.611 20 0 DFADHM CC(C)CC[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000155641189 197074804 /nfs/dbraw/zinc/07/48/04/197074804.db2.gz VUASVDMGNMLEHD-CYBMUJFWSA-N -1 3 314.385 2.611 20 0 DFADHM Cc1ncc(CNC(=O)C=Cc2cc3ccccc3o2)c(=O)[n-]1 ZINC000492430516 299587156 /nfs/dbraw/zinc/58/71/56/299587156.db2.gz YFLLGAGALWJESD-VOTSOKGWSA-N -1 3 309.325 2.566 20 0 DFADHM O=C(Nc1cncc2c1CCCC2)c1cc(F)cc2[n-]nnc21 ZINC000617100934 399605756 /nfs/dbraw/zinc/60/57/56/399605756.db2.gz KXNTWFIGJDLVTA-UHFFFAOYSA-N -1 3 311.320 2.623 20 0 DFADHM O=C(Nc1cncc2c1CCCC2)c1cc(F)cc2nn[n-]c21 ZINC000617100934 399605759 /nfs/dbraw/zinc/60/57/59/399605759.db2.gz KXNTWFIGJDLVTA-UHFFFAOYSA-N -1 3 311.320 2.623 20 0 DFADHM O=C(Nc1cncc2c1CCCC2)c1cc(F)cc2n[n-]nc21 ZINC000617100934 399605760 /nfs/dbraw/zinc/60/57/60/399605760.db2.gz KXNTWFIGJDLVTA-UHFFFAOYSA-N -1 3 311.320 2.623 20 0 DFADHM COc1cccc2c(C(=O)Nc3ccc(F)cc3OC)[n-]nc21 ZINC000347908283 285237481 /nfs/dbraw/zinc/23/74/81/285237481.db2.gz KYPGSSKOVHSQQM-UHFFFAOYSA-N -1 3 315.304 2.972 20 0 DFADHM COc1cccc2c(C(=O)Nc3ccc(F)cc3OC)n[n-]c21 ZINC000347908283 285237483 /nfs/dbraw/zinc/23/74/83/285237483.db2.gz KYPGSSKOVHSQQM-UHFFFAOYSA-N -1 3 315.304 2.972 20 0 DFADHM Cc1ccc(CCCNC(=O)c2ccc3n[n-]nc3c2)c(C)c1 ZINC000028813830 542429793 /nfs/dbraw/zinc/42/97/93/542429793.db2.gz UZBIDWSNXFCCDN-UHFFFAOYSA-N -1 3 308.385 2.937 20 0 DFADHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000625668418 399609534 /nfs/dbraw/zinc/60/95/34/399609534.db2.gz JMVLANCKOGVHBN-DKTWLAJQSA-N -1 3 324.229 2.697 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCC23CC3)s1 ZINC000625669545 399609875 /nfs/dbraw/zinc/60/98/75/399609875.db2.gz FVSMXZHQHCOUOD-JTQLQIEISA-N -1 3 300.449 2.564 20 0 DFADHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)/C=C\c1cncc([O-])c1 ZINC000492445112 299590304 /nfs/dbraw/zinc/59/03/04/299590304.db2.gz RYANYCZNXFGNCR-DQOPKJQZSA-N -1 3 310.353 2.667 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@H]1C ZINC000120378100 195155001 /nfs/dbraw/zinc/15/50/01/195155001.db2.gz BZVZUPAFUJYOIV-YGRLFVJLSA-N -1 3 323.439 2.969 20 0 DFADHM Cc1nn(Cc2ccccc2)c(C)c1CNCc1ncccc1[O-] ZINC000347931495 285253130 /nfs/dbraw/zinc/25/31/30/285253130.db2.gz YVOGNWVBRFNFFB-UHFFFAOYSA-N -1 3 322.412 2.939 20 0 DFADHM COCc1nc(Cc2noc(-c3cccc(C)c3[O-])n2)cs1 ZINC000289242660 220821933 /nfs/dbraw/zinc/82/19/33/220821933.db2.gz ZTMOGMKHWJCCKK-UHFFFAOYSA-N -1 3 317.370 2.944 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000120396918 195158444 /nfs/dbraw/zinc/15/84/44/195158444.db2.gz ULZOFWOYJMMSPW-UHFFFAOYSA-N -1 3 300.314 2.612 20 0 DFADHM Cc1ccc([C@@H]2COCCN2C(=O)c2c(C)cccc2[O-])o1 ZINC000625699034 399615793 /nfs/dbraw/zinc/61/57/93/399615793.db2.gz IPFFHTFJSYEKEC-ZDUSSCGKSA-N -1 3 301.342 2.816 20 0 DFADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(C(F)(F)F)nc1 ZINC000120411711 195161092 /nfs/dbraw/zinc/16/10/92/195161092.db2.gz IWORNUXUGJBUQZ-JTQLQIEISA-N -1 3 305.256 2.680 20 0 DFADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(C(F)(F)F)nc1 ZINC000120411711 195161094 /nfs/dbraw/zinc/16/10/94/195161094.db2.gz IWORNUXUGJBUQZ-JTQLQIEISA-N -1 3 305.256 2.680 20 0 DFADHM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000120619437 195202486 /nfs/dbraw/zinc/20/24/86/195202486.db2.gz JQZWSFDOAPTQDU-CYBMUJFWSA-N -1 3 322.368 2.806 20 0 DFADHM CC[C@@H](NC(=O)/C=C\c1cncc([O-])c1)c1c(C)noc1C ZINC000492472886 299595700 /nfs/dbraw/zinc/59/57/00/299595700.db2.gz LDAXAEAPZONOAB-GEXIGZQTSA-N -1 3 301.346 2.673 20 0 DFADHM Cc1sc(CNC(=O)c2ccc3n[n-]nc3c2)nc1C(C)C ZINC000347976666 285278788 /nfs/dbraw/zinc/27/87/88/285278788.db2.gz GBJHTXOCDOXTRS-UHFFFAOYSA-N -1 3 315.402 2.776 20 0 DFADHM CCOC(=O)C(CC)(CC)NC(=O)c1cc([O-])ccc1Cl ZINC000347977681 285279336 /nfs/dbraw/zinc/27/93/36/285279336.db2.gz MJMBDRRWWAJUNQ-UHFFFAOYSA-N -1 3 313.781 2.897 20 0 DFADHM CC(C)c1nccn1Cc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000120790049 195238774 /nfs/dbraw/zinc/23/87/74/195238774.db2.gz BWNIZMGPRRVENJ-UHFFFAOYSA-N -1 3 314.414 2.842 20 0 DFADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000492479454 299597725 /nfs/dbraw/zinc/59/77/25/299597725.db2.gz ZPFNYPWJDGVPJD-YVACAVLKSA-N -1 3 312.373 2.504 20 0 DFADHM O=S(=O)([N-]c1ccncc1F)c1ccc2c(c1)CCCC2 ZINC000120849679 195249516 /nfs/dbraw/zinc/24/95/16/195249516.db2.gz SVYDEQSFSSWFCX-UHFFFAOYSA-N -1 3 306.362 2.900 20 0 DFADHM O=C([O-])C1(NCc2coc(-c3ccccc3F)n2)CCCC1 ZINC000629486119 399618310 /nfs/dbraw/zinc/61/83/10/399618310.db2.gz YQUPMDAGSWLHGV-UHFFFAOYSA-N -1 3 304.321 2.968 20 0 DFADHM O=C([O-])CCN(Cc1cc(O)ccc1Cl)C1CCOCC1 ZINC000629487305 399619817 /nfs/dbraw/zinc/61/98/17/399619817.db2.gz LTRYHASTYKMBDA-UHFFFAOYSA-N -1 3 313.781 2.501 20 0 DFADHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000294935420 533217926 /nfs/dbraw/zinc/21/79/26/533217926.db2.gz LSMRPHFTEQEJHG-QWRGUYRKSA-N -1 3 304.350 2.517 20 0 DFADHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000294935420 533217929 /nfs/dbraw/zinc/21/79/29/533217929.db2.gz LSMRPHFTEQEJHG-QWRGUYRKSA-N -1 3 304.350 2.517 20 0 DFADHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000294935420 533217933 /nfs/dbraw/zinc/21/79/33/533217933.db2.gz LSMRPHFTEQEJHG-QWRGUYRKSA-N -1 3 304.350 2.517 20 0 DFADHM C[C@@]1(C(=O)[O-])CCCN1Cc1cccc(F)c1OC(F)F ZINC000629493474 399622258 /nfs/dbraw/zinc/62/22/58/399622258.db2.gz IHLNEESHYLLRSK-AWEZNQCLSA-N -1 3 303.280 2.866 20 0 DFADHM O=C([N-]C[C@H]1CCCN(Cc2ccccc2F)C1)C(F)(F)F ZINC000289472329 221000675 /nfs/dbraw/zinc/00/06/75/221000675.db2.gz NEZFOAURNFELCH-LLVKDONJSA-N -1 3 318.314 2.716 20 0 DFADHM CC(C)(C)c1cc(C(=O)[N-]c2ncnn2-c2ccccc2)no1 ZINC000289619799 221106844 /nfs/dbraw/zinc/10/68/44/221106844.db2.gz BTMPQDJDGHYPAH-UHFFFAOYSA-N -1 3 311.345 2.805 20 0 DFADHM C[C@H]1CN(CCOc2ccc(Cl)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000629502233 399626776 /nfs/dbraw/zinc/62/67/76/399626776.db2.gz XXVFZQXEYGDTGW-JQWIXIFHSA-N -1 3 315.772 2.901 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](c2nccn2C)c2ccccc2)c1[O-] ZINC000078707168 542482724 /nfs/dbraw/zinc/48/27/24/542482724.db2.gz FRRVYFLCFSXXLI-MRXNPFEDSA-N -1 3 321.380 2.954 20 0 DFADHM COc1cccc2c(C(=O)Nc3cc([C@H]4C[C@@H]4C)[nH]n3)[n-]nc21 ZINC000289773231 221216835 /nfs/dbraw/zinc/21/68/35/221216835.db2.gz QYRYKNKNHQZVAQ-WPRPVWTQSA-N -1 3 311.345 2.670 20 0 DFADHM COc1cccc2c(C(=O)Nc3cc([C@H]4C[C@@H]4C)[nH]n3)n[n-]c21 ZINC000289773231 221216838 /nfs/dbraw/zinc/21/68/38/221216838.db2.gz QYRYKNKNHQZVAQ-WPRPVWTQSA-N -1 3 311.345 2.670 20 0 DFADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000294935417 224322298 /nfs/dbraw/zinc/32/22/98/224322298.db2.gz LSMRPHFTEQEJHG-MNOVXSKESA-N -1 3 304.350 2.517 20 0 DFADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000294935417 224322299 /nfs/dbraw/zinc/32/22/99/224322299.db2.gz LSMRPHFTEQEJHG-MNOVXSKESA-N -1 3 304.350 2.517 20 0 DFADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000294935417 224322301 /nfs/dbraw/zinc/32/23/01/224322301.db2.gz LSMRPHFTEQEJHG-MNOVXSKESA-N -1 3 304.350 2.517 20 0 DFADHM COCCOc1ccc(NC([O-])=NOC/C=C/Cl)cc1 ZINC000289970409 221352259 /nfs/dbraw/zinc/35/22/59/221352259.db2.gz WBEKQAMCAVFYHI-FARCUNLSSA-N -1 3 300.742 2.517 20 0 DFADHM COCCOc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1 ZINC000289970409 221352260 /nfs/dbraw/zinc/35/22/60/221352260.db2.gz WBEKQAMCAVFYHI-FARCUNLSSA-N -1 3 300.742 2.517 20 0 DFADHM CC[C@@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C(F)(F)F ZINC000348061761 285324803 /nfs/dbraw/zinc/32/48/03/285324803.db2.gz CTRIWRMRDQLPMR-MRVPVSSYSA-N -1 3 319.327 2.859 20 0 DFADHM COc1cc(OC)c(NC([O-])=NOC/C=C/Cl)cc1F ZINC000290045892 221399292 /nfs/dbraw/zinc/39/92/92/221399292.db2.gz SXUULDWASKXRRM-ONEGZZNKSA-N -1 3 304.705 2.649 20 0 DFADHM COc1cc(OC)c(NC(=O)[N-]OC/C=C/Cl)cc1F ZINC000290045892 221399296 /nfs/dbraw/zinc/39/92/96/221399296.db2.gz SXUULDWASKXRRM-ONEGZZNKSA-N -1 3 304.705 2.649 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ncccc1F ZINC000632436534 399662711 /nfs/dbraw/zinc/66/27/11/399662711.db2.gz ICXDFBPKNNCFQN-SSDOTTSWSA-N -1 3 320.292 2.791 20 0 DFADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1F)c1cnn(C2CCCC2)c1 ZINC000632457262 399669156 /nfs/dbraw/zinc/66/91/56/399669156.db2.gz BHIMWDLBTSMZEM-ZIAGYGMSSA-N -1 3 315.414 2.557 20 0 DFADHM COC(=O)[C@H](C)c1ccc(NC(=O)c2cc(C(F)F)[n-]n2)cc1 ZINC000603065555 399669830 /nfs/dbraw/zinc/66/98/30/399669830.db2.gz ZBQMWJVZKJJTON-MRVPVSSYSA-N -1 3 323.299 2.876 20 0 DFADHM CCC(O)(CC)CN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000629635725 399670097 /nfs/dbraw/zinc/67/00/97/399670097.db2.gz DYXDCJLJZUVKHY-UHFFFAOYSA-N -1 3 311.397 2.864 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000612642232 399695521 /nfs/dbraw/zinc/69/55/21/399695521.db2.gz DWOUPTOMNBTNDB-JGPRNRPPSA-N -1 3 310.191 2.817 20 0 DFADHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H]2CCCC23CCCCC3)s1 ZINC000632546745 399687723 /nfs/dbraw/zinc/68/77/23/399687723.db2.gz WQXIJZQYSAKFJC-SNVBAGLBSA-N -1 3 316.448 2.630 20 0 DFADHM C[C@]1(C2CC2)CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCO1 ZINC000617393291 399688582 /nfs/dbraw/zinc/68/85/82/399688582.db2.gz MQPQUUSFVHJFDN-LJQANCHMSA-N -1 3 315.413 2.912 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000621125123 399689368 /nfs/dbraw/zinc/68/93/68/399689368.db2.gz IGULYYVXVDIGCY-QLJPJBMISA-N -1 3 313.344 2.839 20 0 DFADHM Cc1ccc(Br)c(S(=O)(=O)[N-]CC(C)(C)F)c1 ZINC000632608731 399700480 /nfs/dbraw/zinc/70/04/80/399700480.db2.gz CRHMKXHVRNLNNT-UHFFFAOYSA-N -1 3 324.215 2.784 20 0 DFADHM COCCOc1ccccc1CNC(=O)c1c(C)cccc1[O-] ZINC000624520291 399699199 /nfs/dbraw/zinc/69/91/99/399699199.db2.gz GMNGQGLMHMFBFV-UHFFFAOYSA-N -1 3 315.369 2.656 20 0 DFADHM COc1nc2ccccc2cc1CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000625970196 399704426 /nfs/dbraw/zinc/70/44/26/399704426.db2.gz JVKJZBMLLACBOJ-SWLSCSKDSA-N -1 3 314.385 2.786 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)c([O-])c1 ZINC000617442523 399704019 /nfs/dbraw/zinc/70/40/19/399704019.db2.gz OKZPUSBBNOILAG-GXFFZTMASA-N -1 3 300.362 2.543 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000621171142 399708067 /nfs/dbraw/zinc/70/80/67/399708067.db2.gz 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/nfs/dbraw/zinc/98/45/72/542984572.db2.gz HPJIXTPWRMKXRE-NSHDSACASA-N -1 3 322.368 2.574 20 0 DFADHM Cc1ccc(-c2ccc(CNC[C@H]3OCC[C@H]3C(=O)[O-])o2)cc1 ZINC000424610490 296516602 /nfs/dbraw/zinc/51/66/02/296516602.db2.gz CZHDTEZAKOZFMB-NVXWUHKLSA-N -1 3 315.369 2.834 20 0 DFADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1nccn1-c1ccccc1 ZINC000424615728 296517020 /nfs/dbraw/zinc/51/70/20/296517020.db2.gz FDYLELPMHDTAFR-XJKSGUPXSA-N -1 3 301.390 2.707 20 0 DFADHM COc1cc(CN2CCC(CCC(=O)[O-])CC2)cc(OC)c1 ZINC000316210053 543072830 /nfs/dbraw/zinc/07/28/30/543072830.db2.gz FYQFFKBFOUIJKL-UHFFFAOYSA-N -1 3 307.390 2.781 20 0 DFADHM CCCCN(CCCC)C(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000315941464 543072877 /nfs/dbraw/zinc/07/28/77/543072877.db2.gz RAELFVJXICUUTN-OAHLLOKOSA-N -1 3 312.454 2.602 20 0 DFADHM COc1ccccc1C[C@H](C)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000321314322 543085316 /nfs/dbraw/zinc/08/53/16/543085316.db2.gz GZVDFTQSXPUKME-ZDUSSCGKSA-N -1 3 314.385 2.851 20 0 DFADHM O=C(c1occc1-c1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000348836245 285694207 /nfs/dbraw/zinc/69/42/07/285694207.db2.gz XITIHNAKWHMKEE-UHFFFAOYSA-N -1 3 321.336 2.641 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)[C@@H]1CCCO1 ZINC000625088423 399843541 /nfs/dbraw/zinc/84/35/41/399843541.db2.gz JMBAFPAIZNAMPV-MNOVXSKESA-N -1 3 319.373 2.509 20 0 DFADHM C[C@]1(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H]1F ZINC000424743596 296527679 /nfs/dbraw/zinc/52/76/79/296527679.db2.gz TWEFMLZAQGFGTR-PWSUYJOCSA-N -1 3 302.143 2.519 20 0 DFADHM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2cccc3nn[n-]c32)c1 ZINC000563689164 292069726 /nfs/dbraw/zinc/06/97/26/292069726.db2.gz DYZYZJYNQANDSW-WFASDCNBSA-N -1 3 322.368 2.500 20 0 DFADHM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2cccc3[n-]nnc32)c1 ZINC000563689164 292069727 /nfs/dbraw/zinc/06/97/27/292069727.db2.gz DYZYZJYNQANDSW-WFASDCNBSA-N -1 3 322.368 2.500 20 0 DFADHM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2cccc3n[n-]nc32)c1 ZINC000563689164 292069729 /nfs/dbraw/zinc/06/97/29/292069729.db2.gz 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296536871 /nfs/dbraw/zinc/53/68/71/296536871.db2.gz KUXNOMMZFDBSFO-UHFFFAOYSA-N -1 3 311.328 2.825 20 0 DFADHM Cc1ccc(Cl)cc1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000348972444 285738441 /nfs/dbraw/zinc/73/84/41/285738441.db2.gz SLWCIFRHTSEUGA-UHFFFAOYSA-N -1 3 318.760 2.723 20 0 DFADHM [O-]c1ccc(Cl)c(CN2CCCC[C@H]2CN2CCOCC2)c1 ZINC000625198111 399860401 /nfs/dbraw/zinc/86/04/01/399860401.db2.gz QZKRPOBCZZLLFS-HNNXBMFYSA-N -1 3 324.852 2.732 20 0 DFADHM Cc1ccc([O-])c(NC(=O)Cc2cccc(OC(F)F)c2)n1 ZINC000345939142 543177709 /nfs/dbraw/zinc/17/77/09/543177709.db2.gz YXXHPHMUEXZFQH-UHFFFAOYSA-N -1 3 308.284 2.878 20 0 DFADHM CCC[C@]1([N-]S(=O)(=O)c2ccc(C)c(F)c2F)CCOC1 ZINC000625213627 399862130 /nfs/dbraw/zinc/86/21/30/399862130.db2.gz MSMHYFDVYMQTCZ-AWEZNQCLSA-N -1 3 319.373 2.511 20 0 DFADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]C[C@@](C)(CC)OC ZINC000625238374 399865944 /nfs/dbraw/zinc/86/59/44/399865944.db2.gz WAEJPDVTGCKXFO-GFCCVEGCSA-N -1 3 315.426 2.792 20 0 DFADHM CCc1ccc([O-])c(-c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)c1 ZINC000350564978 543207162 /nfs/dbraw/zinc/20/71/62/543207162.db2.gz GPZBKCXSHJZRCC-IUODEOHRSA-N -1 3 315.373 2.540 20 0 DFADHM CCOc1cc(-c2noc(C3(C)CCOCC3)n2)ccc1[O-] ZINC000350794224 543209225 /nfs/dbraw/zinc/20/92/25/543209225.db2.gz PPTXJJBBLSJCFI-UHFFFAOYSA-N -1 3 304.346 2.909 20 0 DFADHM CCCn1cc(-c2nc(-c3ccc([O-])c(OCC)c3)no2)nn1 ZINC000350786061 543209348 /nfs/dbraw/zinc/20/93/48/543209348.db2.gz HFFGHQCHWVVNFC-UHFFFAOYSA-N -1 3 315.333 2.509 20 0 DFADHM [O-]c1ccc(Cl)c(CN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000625265043 399870156 /nfs/dbraw/zinc/87/01/56/399870156.db2.gz JUUCCRHHKBKOIA-GFCCVEGCSA-N -1 3 306.797 2.549 20 0 DFADHM COc1cc(-c2noc(-c3cnc(C4CC4)nc3)n2)ccc1[O-] ZINC000351056674 543212463 /nfs/dbraw/zinc/21/24/63/543212463.db2.gz WXXURUSHVGBPFT-UHFFFAOYSA-N -1 3 310.313 2.785 20 0 DFADHM CCOc1cc(-c2noc(Cc3ccn(CC)n3)n2)ccc1[O-] ZINC000351422886 543219109 /nfs/dbraw/zinc/21/91/09/543219109.db2.gz BUVAYKPJPHQAFB-UHFFFAOYSA-N -1 3 314.345 2.648 20 0 DFADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C)ccc1F ZINC000353757643 146749769 /nfs/dbraw/zinc/74/97/69/146749769.db2.gz JDJBBWNGLHKNIL-UHFFFAOYSA-N -1 3 307.350 2.912 20 0 DFADHM CCn1ccc(Cc2noc(-c3cc(-c4ccc(C)o4)[n-]n3)n2)n1 ZINC000351464688 543222931 /nfs/dbraw/zinc/22/29/31/543222931.db2.gz IVFAZUCYXHPAMQ-UHFFFAOYSA-N -1 3 324.344 2.835 20 0 DFADHM CCn1ccc(Cc2noc(-c3cc(-c4ccc(C)o4)n[n-]3)n2)n1 ZINC000351464688 543222934 /nfs/dbraw/zinc/22/29/34/543222934.db2.gz IVFAZUCYXHPAMQ-UHFFFAOYSA-N -1 3 324.344 2.835 20 0 DFADHM NC(=O)c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000351511701 543225385 /nfs/dbraw/zinc/22/53/85/543225385.db2.gz CFIRMXWNJJKWPN-UHFFFAOYSA-N -1 3 320.348 2.574 20 0 DFADHM O=C(N[C@H](CCO)c1ccco1)c1cc([O-])c2ccccc2c1 ZINC000355732493 543251919 /nfs/dbraw/zinc/25/19/19/543251919.db2.gz KEIHXPRLXYNIPM-OAHLLOKOSA-N -1 3 311.337 2.992 20 0 DFADHM CCc1nnsc1C(=O)[N-]c1ncc(C(F)(F)F)s1 ZINC000355916922 543253335 /nfs/dbraw/zinc/25/33/35/543253335.db2.gz XDUWCOJTAOVCBL-UHFFFAOYSA-N -1 3 308.310 2.828 20 0 DFADHM CCC[C@H](C)CS(=O)(=O)[N-]CC(=O)c1c(F)cccc1F ZINC000425193862 296558305 /nfs/dbraw/zinc/55/83/05/296558305.db2.gz MADZCOGTAOWPHP-JTQLQIEISA-N -1 3 319.373 2.503 20 0 DFADHM CC(C)(C)c1ccncc1CNC(=O)/C=C/c1cncc([O-])c1 ZINC000492948208 299684739 /nfs/dbraw/zinc/68/47/39/299684739.db2.gz BIGJEUYQJAKFSB-SNAWJCMRSA-N -1 3 311.385 2.809 20 0 DFADHM O=C([O-])[C@@H]1CN(CCc2ccc3c(c2)CCO3)Cc2ccccc21 ZINC000392181317 543309174 /nfs/dbraw/zinc/30/91/74/543309174.db2.gz WWQPROHIQMQWQQ-GOSISDBHSA-N -1 3 323.392 2.848 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1c(C)cc(C)cc1C ZINC000056109404 145187953 /nfs/dbraw/zinc/18/79/53/145187953.db2.gz SUJJGJVMDYAVHQ-UHFFFAOYSA-N -1 3 322.430 2.738 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1 ZINC000116601941 145200334 /nfs/dbraw/zinc/20/03/34/145200334.db2.gz NPGIZASMKOYYAI-UHFFFAOYSA-N -1 3 313.382 2.982 20 0 DFADHM O=C([O-])[C@H](NCc1cncc(Br)c1)c1ccccc1 ZINC000167340032 145238965 /nfs/dbraw/zinc/23/89/65/145238965.db2.gz BXGLXIZIEIBVAQ-CYBMUJFWSA-N -1 3 321.174 2.760 20 0 DFADHM COc1cccc(C(=O)N[C@H]2CCOc3ccc(F)cc32)c1[O-] ZINC000171807723 145280163 /nfs/dbraw/zinc/28/01/63/145280163.db2.gz UZOSFRKLJSXGST-ZDUSSCGKSA-N -1 3 317.316 2.794 20 0 DFADHM Cn1cccc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000414446349 543326306 /nfs/dbraw/zinc/32/63/06/543326306.db2.gz YJLUACZLDJXSGC-UHFFFAOYSA-N -1 3 323.393 2.565 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@H](c3nccs3)C2)c1[O-] ZINC000172091952 145290234 /nfs/dbraw/zinc/29/02/34/145290234.db2.gz KPPRZGVGJIXERU-NSHDSACASA-N -1 3 318.398 2.877 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2ccc(F)cc21 ZINC000172626660 145309326 /nfs/dbraw/zinc/30/93/26/145309326.db2.gz HFLCMHSGTFVIFA-UHFFFAOYSA-N -1 3 304.296 2.943 20 0 DFADHM O=S(=O)([N-]Cc1ccccc1F)c1cc(F)c(F)c(F)c1 ZINC000172970823 145325836 /nfs/dbraw/zinc/32/58/36/145325836.db2.gz ONPXXQAEOGNFGN-UHFFFAOYSA-N -1 3 319.279 2.722 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccncc1 ZINC000173221472 145337398 /nfs/dbraw/zinc/33/73/98/145337398.db2.gz HFWFESDLQTWSMQ-LBPRGKRZSA-N -1 3 312.341 2.789 20 0 DFADHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000173717774 145353513 /nfs/dbraw/zinc/35/35/13/145353513.db2.gz ZZALGEZBWUFJQK-LBPRGKRZSA-N -1 3 311.428 2.802 20 0 DFADHM CCOc1cc(CNC[C@@](C)(CC)C(=O)[O-])c(F)cc1OC ZINC000630450300 399887493 /nfs/dbraw/zinc/88/74/93/399887493.db2.gz CCPNKLWHHIJEAQ-MRXNPFEDSA-N -1 3 313.369 2.824 20 0 DFADHM COc1cc(Cl)c(CNCC(C)(C)CC(=O)[O-])cc1OC ZINC000630453214 399887928 /nfs/dbraw/zinc/88/79/28/399887928.db2.gz WRVFWFHJJHJGEN-UHFFFAOYSA-N -1 3 315.797 2.948 20 0 DFADHM C[C@H](CNCc1cccc(Br)c1Cl)C(=O)[O-] ZINC000630456907 399888771 /nfs/dbraw/zinc/88/87/71/399888771.db2.gz PUDXBHUEUBLFOH-SSDOTTSWSA-N -1 3 306.587 2.913 20 0 DFADHM O=C([O-])[C@H](NCc1cc(F)cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000630470113 399891408 /nfs/dbraw/zinc/89/14/08/399891408.db2.gz RXRIWWBQZIWWMR-NWDGAFQWSA-N -1 3 321.270 2.566 20 0 DFADHM Cc1[nH]ccc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000175818975 145420159 /nfs/dbraw/zinc/42/01/59/145420159.db2.gz VLPZZMLEERRFGL-UHFFFAOYSA-N -1 3 308.341 2.634 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000633512689 399911864 /nfs/dbraw/zinc/91/18/64/399911864.db2.gz JWIQVYKMZKJNTL-HZPDHXFCSA-N -1 3 322.380 2.678 20 0 DFADHM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H](n2ccnc2)C1 ZINC000630921260 399948048 /nfs/dbraw/zinc/94/80/48/399948048.db2.gz VPDDSJHIUGETNR-CYBMUJFWSA-N -1 3 319.792 2.648 20 0 DFADHM COc1cc(C(=O)NC[C@@]2(O)CCCC(C)(C)CC2)ccc1[O-] ZINC000633890128 399958011 /nfs/dbraw/zinc/95/80/11/399958011.db2.gz OCLSFINUVOZBBN-GOSISDBHSA-N -1 3 321.417 2.852 20 0 DFADHM O=C(c1ccccc1[O-])N1CCC(Cc2nccs2)CC1 ZINC000633946754 399963978 /nfs/dbraw/zinc/96/39/78/399963978.db2.gz NMRMXOKMMAATKJ-UHFFFAOYSA-N -1 3 302.399 2.944 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCC(Cc2nccs2)CC1 ZINC000633949186 399964087 /nfs/dbraw/zinc/96/40/87/399964087.db2.gz SVSSQWPZRAMILN-UHFFFAOYSA-N -1 3 318.398 2.649 20 0 DFADHM CCc1cccc(C(=O)N2CCC(c3ncco3)CC2)c1[O-] ZINC000627946809 399971654 /nfs/dbraw/zinc/97/16/54/399971654.db2.gz DJXIOEPNUGHEEW-UHFFFAOYSA-N -1 3 300.358 2.962 20 0 DFADHM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)[C@H](C)O1 ZINC000634029962 399975540 /nfs/dbraw/zinc/97/55/40/399975540.db2.gz KKYJZVQUCKNHMF-RGNHYFCHSA-N -1 3 303.280 2.707 20 0 DFADHM O=C(Nc1ccc([O-])cc1Cl)[C@]1(C2CCCC2)CCNC1=O ZINC000628035434 399979522 /nfs/dbraw/zinc/97/95/22/399979522.db2.gz MKVYOHDFFXFKLX-INIZCTEOSA-N -1 3 322.792 2.681 20 0 DFADHM O=C(c1cc(=O)[n-]cn1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000627144502 399921134 /nfs/dbraw/zinc/92/11/34/399921134.db2.gz LFASXIYKIIVXFC-LZWOXQAQSA-N -1 3 309.369 2.591 20 0 DFADHM C[C@H](CN1CCCCC1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630730339 399921690 /nfs/dbraw/zinc/92/16/90/399921690.db2.gz FDKFILCAJNORKB-GFCCVEGCSA-N -1 3 310.825 2.579 20 0 DFADHM C[C@H]1CSC[C@@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000627161280 399922703 /nfs/dbraw/zinc/92/27/03/399922703.db2.gz WLKZNCTVMRYONU-CPCISQLKSA-N -1 3 316.220 2.636 20 0 DFADHM Cc1cccc([O-])c1C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000627166669 399923045 /nfs/dbraw/zinc/92/30/45/399923045.db2.gz ILJCMGISMABHEX-CQSZACIVSA-N -1 3 317.307 2.620 20 0 DFADHM O=S(=O)([N-]CC[C@@H]1CCCO1)c1ccccc1C(F)(F)F ZINC000633692644 399935490 /nfs/dbraw/zinc/93/54/90/399935490.db2.gz UCMWALLEACVNCW-JTQLQIEISA-N -1 3 323.336 2.553 20 0 DFADHM O=C(N[C@@H]1CCCc2sc(Cl)cc21)c1cc(=O)[n-]cn1 ZINC000627499026 399938559 /nfs/dbraw/zinc/93/85/59/399938559.db2.gz WOXKYZGKZBFLQG-MRVPVSSYSA-N -1 3 309.778 2.705 20 0 DFADHM CCn1nc(C)c(CN(C)C(=O)c2ccc([O-])c(C)c2)c1C ZINC000633763918 399943659 /nfs/dbraw/zinc/94/36/59/399943659.db2.gz RHWAXACZUBNQAS-UHFFFAOYSA-N -1 3 301.390 2.806 20 0 DFADHM CC[C@@]1(O)CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000634198779 399996778 /nfs/dbraw/zinc/99/67/78/399996778.db2.gz BFWRTWCOABPTEJ-CQSZACIVSA-N -1 3 317.307 2.788 20 0 DFADHM CCC[C@H](CCO)NCc1cccc([O-])c1Br ZINC000631197855 400001980 /nfs/dbraw/zinc/00/19/80/400001980.db2.gz DZWWYEFBHHGJSG-LLVKDONJSA-N -1 3 302.212 2.795 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1cnc(-c2ncccn2)s1 ZINC000179552596 145555813 /nfs/dbraw/zinc/55/58/13/145555813.db2.gz FTSQJOVRAUOLHD-UHFFFAOYSA-N -1 3 312.354 2.866 20 0 DFADHM C[C@@H](CC(F)(F)F)N=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631208105 400003704 /nfs/dbraw/zinc/00/37/04/400003704.db2.gz YEFXVCJZPNGWIO-JTQLQIEISA-N -1 3 321.306 2.966 20 0 DFADHM Cc1csc([C@@H]2CCCN2C(=O)c2ccc(O)cc2[O-])n1 ZINC000634246554 400004523 /nfs/dbraw/zinc/00/45/23/400004523.db2.gz PVWPGSKXSBCHJN-LBPRGKRZSA-N -1 3 304.371 2.840 20 0 DFADHM COc1cccc([C@@H](CNC(=O)c2c(C)cccc2[O-])OC)c1 ZINC000628288162 400014315 /nfs/dbraw/zinc/01/43/15/400014315.db2.gz CDQQIVJAHGMXDV-MRXNPFEDSA-N -1 3 315.369 2.827 20 0 DFADHM C[C@H]1C[C@@H](N=c2cc(-c3ccccc3)n3[n-]cnc3n2)CS1 ZINC000631308003 400022050 /nfs/dbraw/zinc/02/20/50/400022050.db2.gz MQNUEPREKBJYPT-WCQYABFASA-N -1 3 311.414 2.519 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)cc1[O-] ZINC000634429680 400027783 /nfs/dbraw/zinc/02/77/83/400027783.db2.gz JUGJNEWHIFQJNP-IAGOWNOFSA-N -1 3 317.385 2.672 20 0 DFADHM COc1cccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c1F ZINC000628374860 400028487 /nfs/dbraw/zinc/02/84/87/400028487.db2.gz IDJPFERTVXKOJO-UHFFFAOYSA-N -1 3 305.353 2.663 20 0 DFADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)C[C@@H](C)C1(F)F ZINC000628401895 400030296 /nfs/dbraw/zinc/03/02/96/400030296.db2.gz CDNVEISAOVPKRF-NXEZZACHSA-N -1 3 301.308 2.824 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N(C1CC1)C1CC1 ZINC000628814259 400058270 /nfs/dbraw/zinc/05/82/70/400058270.db2.gz FYKGAKNGOCXYTC-UHFFFAOYSA-N -1 3 310.191 2.851 20 0 DFADHM O=C(NCCc1nc2c(s1)CCCC2)c1cccc([O-])c1 ZINC000182298448 145637754 /nfs/dbraw/zinc/63/77/54/145637754.db2.gz IPNMLGPOGYWJDL-UHFFFAOYSA-N -1 3 302.399 2.700 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2cc(C3CCOCC3)nn2C)c1 ZINC000628928641 400063932 /nfs/dbraw/zinc/06/39/32/400063932.db2.gz APUAQCKZADTVAZ-UHFFFAOYSA-N -1 3 315.373 2.580 20 0 DFADHM Cc1cccc(C(=O)Nc2cc(C3CCOCC3)nn2C)c1[O-] ZINC000628929431 400064088 /nfs/dbraw/zinc/06/40/88/400064088.db2.gz UHESXMXFTMZGMD-UHFFFAOYSA-N -1 3 315.373 2.580 20 0 DFADHM O=[S@@](Cc1noc(-c2ccccc2)n1)c1cccc([O-])c1 ZINC000184061841 145664946 /nfs/dbraw/zinc/66/49/46/145664946.db2.gz NXOPOANPJUZCMO-NRFANRHFSA-N -1 3 300.339 2.750 20 0 DFADHM O=C([O-])c1cccc(CCNCc2ccn(-c3ccccc3)n2)c1 ZINC000426698385 543343812 /nfs/dbraw/zinc/34/38/12/543343812.db2.gz YIOMSIOJQYHHSQ-UHFFFAOYSA-N -1 3 321.380 2.903 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CC2(C)CC2)sc1Br ZINC000227470324 146005272 /nfs/dbraw/zinc/00/52/72/146005272.db2.gz KIBCTFPPLAOYAJ-UHFFFAOYSA-N -1 3 324.265 2.897 20 0 DFADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230597827 146015698 /nfs/dbraw/zinc/01/56/98/146015698.db2.gz ABFFGDOXURXRTN-HTQZYQBOSA-N -1 3 322.199 2.523 20 0 DFADHM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cc([O-])ccc1Cl ZINC000235357639 146019264 /nfs/dbraw/zinc/01/92/64/146019264.db2.gz IUJJDTUNDZSBKH-VXGBXAGGSA-N -1 3 308.809 2.744 20 0 DFADHM COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)c([O-])c1 ZINC000442699670 543355549 /nfs/dbraw/zinc/35/55/49/543355549.db2.gz DIYDGUREDHQBDI-UHFFFAOYSA-N -1 3 303.314 2.670 20 0 DFADHM COCCOc1ccc(C(=O)Nc2ccc(OC)cc2[O-])cc1 ZINC000442705681 543355776 /nfs/dbraw/zinc/35/57/76/543355776.db2.gz QPTZPFUAFRGGIS-UHFFFAOYSA-N -1 3 317.341 2.678 20 0 DFADHM Cc1cc([C@H](C)NC(=O)NCc2ncccc2[O-])ccc1F ZINC000349667663 285911830 /nfs/dbraw/zinc/91/18/30/285911830.db2.gz MDMRWFGWKAVIRY-NSHDSACASA-N -1 3 303.337 2.795 20 0 DFADHM COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2)c([O-])c1 ZINC000443558902 543358303 /nfs/dbraw/zinc/35/83/03/543358303.db2.gz MGOSGRUCJRXWFQ-ZDUSSCGKSA-N -1 3 314.385 2.860 20 0 DFADHM COc1ccc(NC(=O)c2cc(N3CCCC3)ccn2)c([O-])c1 ZINC000446336167 543359782 /nfs/dbraw/zinc/35/97/82/543359782.db2.gz FJSFUFJDFFGVSS-UHFFFAOYSA-N -1 3 313.357 2.648 20 0 DFADHM CC[C@H]1CC[C@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)CC1 ZINC000253294944 146226258 /nfs/dbraw/zinc/22/62/58/146226258.db2.gz MLZZHKPXSNOCAQ-HAQNSBGRSA-N -1 3 301.394 2.965 20 0 DFADHM CC[C@H]1CC[C@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)CC1 ZINC000253294944 146226259 /nfs/dbraw/zinc/22/62/59/146226259.db2.gz MLZZHKPXSNOCAQ-HAQNSBGRSA-N -1 3 301.394 2.965 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1c[n-]c2ccccc2c1=O ZINC000253553207 146229497 /nfs/dbraw/zinc/22/94/97/146229497.db2.gz LNUBTDOEUZUTHZ-IUIKQTSFSA-N -1 3 312.369 2.628 20 0 DFADHM C[C@@H](NCc1cn(-c2ccccc2)nc1C(C)(C)C)C(=O)[O-] ZINC000261931445 146303866 /nfs/dbraw/zinc/30/38/66/146303866.db2.gz CVOUILKCGFGQCI-GFCCVEGCSA-N -1 3 301.390 2.733 20 0 DFADHM C[C@@H](NCc1cc2ccccc2nc1N1CCCCC1)C(=O)[O-] ZINC000262107552 146334009 /nfs/dbraw/zinc/33/40/09/146334009.db2.gz WBWLYBLWTDFXFY-CYBMUJFWSA-N -1 3 313.401 2.788 20 0 DFADHM Cn1c(CNC2CCC(C(=O)[O-])CC2)nc2ccc(Cl)cc21 ZINC000262707171 146384030 /nfs/dbraw/zinc/38/40/30/146384030.db2.gz NLBFLSGBKYWXRV-UHFFFAOYSA-N -1 3 321.808 2.960 20 0 DFADHM CCCC[C@H](NCc1nc2ccc(Cl)cc2n1C)C(=O)[O-] ZINC000262715939 146384067 /nfs/dbraw/zinc/38/40/67/146384067.db2.gz RSZOVHASMNCJQW-LBPRGKRZSA-N -1 3 309.797 2.960 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2c3c(ccc2OC)CCC3)[n-]1 ZINC000349789777 285939648 /nfs/dbraw/zinc/93/96/48/285939648.db2.gz GBKZYKJQXOOUJE-UHFFFAOYSA-N -1 3 314.341 2.551 20 0 DFADHM O=S(=O)([N-][C@H]1CCc2sc(Cl)cc21)c1ccco1 ZINC000349804275 285943045 /nfs/dbraw/zinc/94/30/45/285943045.db2.gz VCUPLAYRWDWEAH-QMMMGPOBSA-N -1 3 303.792 2.960 20 0 DFADHM COc1cccc2[nH]cc(Cc3nc4cccnc4c(=O)[n-]3)c21 ZINC000491599911 543406938 /nfs/dbraw/zinc/40/69/38/543406938.db2.gz WQYRKAVZZJRICT-UHFFFAOYSA-N -1 3 306.325 2.811 20 0 DFADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000354394637 147020493 /nfs/dbraw/zinc/02/04/93/147020493.db2.gz SKMGXEXLSMWGBK-TZMCWYRMSA-N -1 3 324.446 2.614 20 0 DFADHM O=C(NC/C=C\c1ccccc1)c1c[n-]nc1-c1ccccn1 ZINC000354409360 147027084 /nfs/dbraw/zinc/02/70/84/147027084.db2.gz WXRWABZCQCEHAL-TWGQIWQCSA-N -1 3 304.353 2.915 20 0 DFADHM Cc1cc(C(=O)Nc2ccccc2Cn2cncn2)ccc1[O-] ZINC000354457698 147045743 /nfs/dbraw/zinc/04/57/43/147045743.db2.gz ZGVKYENFYMEAEK-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM Cc1cc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)[n-]c(=O)n1 ZINC000354469170 147050555 /nfs/dbraw/zinc/05/05/55/147050555.db2.gz OKGGZUZHOOEGMZ-KWQFWETISA-N -1 3 321.739 2.569 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1CCC[C@H](F)C1 ZINC000425592797 296588758 /nfs/dbraw/zinc/58/87/58/296588758.db2.gz VQLBSLNGNLZYCE-ZJUUUORDSA-N -1 3 312.341 2.881 20 0 DFADHM Cc1cc(C(=O)NCc2cnc(C)[n-]c2=O)c2nccc(C)c2c1 ZINC000354617180 147091804 /nfs/dbraw/zinc/09/18/04/147091804.db2.gz RSYDVWKELAYCCI-UHFFFAOYSA-N -1 3 322.368 2.586 20 0 DFADHM Cc1cc(C(=O)N2CCC(Cc3nccn3C)CC2)ccc1[O-] ZINC000354631416 147097494 /nfs/dbraw/zinc/09/74/94/147097494.db2.gz ZCBFRCJJFQPXOW-UHFFFAOYSA-N -1 3 313.401 2.529 20 0 DFADHM C[C@@H](CCc1cccn1C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000354648058 147103509 /nfs/dbraw/zinc/10/35/09/147103509.db2.gz VJUCEHLDBOODKX-ZDUSSCGKSA-N -1 3 323.400 2.561 20 0 DFADHM COc1ccc2oc(C(=O)NCc3ncccc3[O-])c(C)c2c1 ZINC000526941423 543429096 /nfs/dbraw/zinc/42/90/96/543429096.db2.gz OWCOKYWNFKSIQI-UHFFFAOYSA-N -1 3 312.325 2.780 20 0 DFADHM COc1ccc(C(=O)C(=O)Nc2ccc([O-])cc2)cc1Cl ZINC000354980282 147212357 /nfs/dbraw/zinc/21/23/57/147212357.db2.gz CFULSKYHDZAKIF-UHFFFAOYSA-N -1 3 305.717 2.876 20 0 DFADHM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1c[n-]nc1-c1ccccn1 ZINC000355005180 147216709 /nfs/dbraw/zinc/21/67/09/147216709.db2.gz LXWDXDVFCRUPIZ-RPVQJOFSSA-N -1 3 316.364 2.540 20 0 DFADHM COc1ccc2nc(CNCc3ncccc3[O-])sc2c1 ZINC000355318171 147262506 /nfs/dbraw/zinc/26/25/06/147262506.db2.gz PVDDAZVSYVCUTD-UHFFFAOYSA-N -1 3 301.371 2.695 20 0 DFADHM Cc1ccsc1CCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000355536567 147353676 /nfs/dbraw/zinc/35/36/76/147353676.db2.gz XRPAVBYRJXZAPD-UHFFFAOYSA-N -1 3 312.398 2.814 20 0 DFADHM CCOC(=O)C[C@@H](C)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000355593200 147375651 /nfs/dbraw/zinc/37/56/51/147375651.db2.gz UZGRNYHKOFNOJP-GFCCVEGCSA-N -1 3 315.369 2.959 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1cccc(N(C)C)c1 ZINC000355602156 147380870 /nfs/dbraw/zinc/38/08/70/147380870.db2.gz BZUFAFMBYZBPDA-UHFFFAOYSA-N -1 3 322.405 2.679 20 0 DFADHM Cc1ccccc1[C@@H](C)N(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000355634527 147390863 /nfs/dbraw/zinc/39/08/63/147390863.db2.gz NXIHPXWTYYNNFY-CYBMUJFWSA-N -1 3 313.401 2.870 20 0 DFADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(C)c1 ZINC000349913738 285970105 /nfs/dbraw/zinc/97/01/05/285970105.db2.gz IHTPSFKDMFAVQJ-UHFFFAOYSA-N -1 3 321.354 2.533 20 0 DFADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccoc2)c(Cl)c1 ZINC000349973715 285983209 /nfs/dbraw/zinc/98/32/09/285983209.db2.gz OSNSZHDOLPRRDK-UHFFFAOYSA-N -1 3 314.750 2.692 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H](O)Cc2ccccc2)c1[O-] ZINC000356585737 147745305 /nfs/dbraw/zinc/74/53/05/147745305.db2.gz YOZFPMYBMNDDFF-AWEZNQCLSA-N -1 3 305.761 2.896 20 0 DFADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000357499032 148014257 /nfs/dbraw/zinc/01/42/57/148014257.db2.gz UNFFIYVEPHLWRV-UHFFFAOYSA-N -1 3 320.414 2.952 20 0 DFADHM COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc([O-])cc1F ZINC000357536349 148027904 /nfs/dbraw/zinc/02/79/04/148027904.db2.gz IRYUJQNVARSSKV-UHFFFAOYSA-N -1 3 317.316 2.924 20 0 DFADHM COc1cc(C(=O)NC[C@@H](C)Oc2ccccc2F)ccc1[O-] ZINC000357648489 148069380 /nfs/dbraw/zinc/06/93/80/148069380.db2.gz BEZBPKPVCTZPMG-LLVKDONJSA-N -1 3 319.332 2.737 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C2(OC)CCCCC2)c([O-])c1 ZINC000357656890 148074049 /nfs/dbraw/zinc/07/40/49/148074049.db2.gz NKPDGTKWQZOWNQ-UHFFFAOYSA-N -1 3 321.373 2.857 20 0 DFADHM [O-]c1ccc(F)c(CNc2ccncc2Br)c1F ZINC000357715426 148093957 /nfs/dbraw/zinc/09/39/57/148093957.db2.gz XDUZEIFXZLFTFK-UHFFFAOYSA-N -1 3 315.117 2.862 20 0 DFADHM Cc1ccc(-c2nc(CNC(=O)c3csc(=O)[n-]3)co2)cc1 ZINC000350153152 286011955 /nfs/dbraw/zinc/01/19/55/286011955.db2.gz LEZRHZNYJXBWFQ-UHFFFAOYSA-N -1 3 315.354 2.742 20 0 DFADHM O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)c1c[n-]nn1 ZINC000358241108 148299196 /nfs/dbraw/zinc/29/91/96/148299196.db2.gz NUPJQQNNEXYTFU-ZDUSSCGKSA-N -1 3 320.274 2.991 20 0 DFADHM O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)c1cnn[n-]1 ZINC000358241108 148299199 /nfs/dbraw/zinc/29/91/99/148299199.db2.gz NUPJQQNNEXYTFU-ZDUSSCGKSA-N -1 3 320.274 2.991 20 0 DFADHM O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)c1cn[n-]n1 ZINC000358241108 148299201 /nfs/dbraw/zinc/29/92/01/148299201.db2.gz NUPJQQNNEXYTFU-ZDUSSCGKSA-N -1 3 320.274 2.991 20 0 DFADHM CC(C)CN(C(=O)c1cnc2c(cnn2C)c1[O-])C1CCCC1 ZINC000358272923 148314113 /nfs/dbraw/zinc/31/41/13/148314113.db2.gz IZMNGIOKAZGHSI-UHFFFAOYSA-N -1 3 316.405 2.715 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)o1 ZINC000358430508 148359025 /nfs/dbraw/zinc/35/90/25/148359025.db2.gz RZUIUAXNBSDLLL-UHFFFAOYSA-N -1 3 302.355 2.615 20 0 DFADHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358432750 148359143 /nfs/dbraw/zinc/35/91/43/148359143.db2.gz 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/nfs/dbraw/zinc/26/83/93/286268393.db2.gz LUABLUGXHMHQII-BHQIHCQQSA-N -1 3 305.341 2.811 20 0 DFADHM NC(=O)CN(CCC1CCCCC1)Cc1cc([O-])cc(F)c1 ZINC000351994266 286264324 /nfs/dbraw/zinc/26/43/24/286264324.db2.gz FQOBTWSOEDFZNC-UHFFFAOYSA-N -1 3 308.397 2.789 20 0 DFADHM O=C(CCc1ccncn1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000427629620 296662231 /nfs/dbraw/zinc/66/22/31/296662231.db2.gz JLBHTZSGYYIFNH-UHFFFAOYSA-N -1 3 311.263 2.772 20 0 DFADHM [O-]c1cc(F)cc(CN2CCN(CCc3cccs3)CC2)c1 ZINC000352023657 286272409 /nfs/dbraw/zinc/27/24/09/286272409.db2.gz ZQABCXWEWNBIGU-UHFFFAOYSA-N -1 3 320.433 2.953 20 0 DFADHM COC(=O)[C@H]1c2ccccc2CCN1Cc1cc([O-])cc(F)c1 ZINC000352010751 286268884 /nfs/dbraw/zinc/26/88/84/286268884.db2.gz JBBSLZBCJYMTAQ-QGZVFWFLSA-N -1 3 315.344 2.804 20 0 DFADHM CO[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C1CC1 ZINC000352057461 286281864 /nfs/dbraw/zinc/28/18/64/286281864.db2.gz KOYONBLXOOCHST-LLVKDONJSA-N -1 3 305.252 2.654 20 0 DFADHM CC1(C)CN(C(=O)c2csc(=O)[n-]2)CC[C@@H]1C(F)(F)F ZINC000352084138 286288176 /nfs/dbraw/zinc/28/81/76/286288176.db2.gz JSSXXERKENYZIT-QMMMGPOBSA-N -1 3 308.325 2.899 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)s2)o1 ZINC000352094612 286290310 /nfs/dbraw/zinc/29/03/10/286290310.db2.gz DHHVPPFDNMCBQL-ZETCQYMHSA-N -1 3 306.796 2.737 20 0 DFADHM COC1CCC(C)(C[N-]S(=O)(=O)c2cc(C)cs2)CC1 ZINC000451475503 297811226 /nfs/dbraw/zinc/81/12/26/297811226.db2.gz CUVDQNYKIGPRIG-UHFFFAOYSA-N -1 3 317.476 2.930 20 0 DFADHM Cc1cnc(C[N-]S(=O)(=O)c2csc3ccccc23)o1 ZINC000352123473 286298087 /nfs/dbraw/zinc/29/80/87/286298087.db2.gz OHXAWXXJLGPKKM-UHFFFAOYSA-N -1 3 308.384 2.676 20 0 DFADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nnc2ccccn21 ZINC000352149895 286305380 /nfs/dbraw/zinc/30/53/80/286305380.db2.gz UUYGMKQDFQNVEM-VIFPVBQESA-N -1 3 316.748 2.579 20 0 DFADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000352229373 286323673 /nfs/dbraw/zinc/32/36/73/286323673.db2.gz REHBWKTUVYHYJJ-KOLCDFICSA-N -1 3 324.302 2.941 20 0 DFADHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1ccccc1Cl ZINC000352334213 286345962 /nfs/dbraw/zinc/34/59/62/286345962.db2.gz YYPIRLLNADCTOW-UHFFFAOYSA-N -1 3 313.728 2.961 20 0 DFADHM CC(C)(C)c1ccc(OCC(=O)NCc2ncccc2[O-])cc1 ZINC000352499012 286389340 /nfs/dbraw/zinc/38/93/40/286389340.db2.gz DDWGEOSJKQPJRP-UHFFFAOYSA-N -1 3 314.385 2.780 20 0 DFADHM COc1cccc(-c2c[nH]cc2C(=O)NCc2ncccc2[O-])c1 ZINC000352502335 286390322 /nfs/dbraw/zinc/39/03/22/286390322.db2.gz SUZPMAXNECNRRE-UHFFFAOYSA-N -1 3 323.352 2.721 20 0 DFADHM C[C@H](Cc1ccccc1Cl)C(=O)NCc1ncccc1[O-] ZINC000352515933 286394771 /nfs/dbraw/zinc/39/47/71/286394771.db2.gz IYRJDUDXLZAKEZ-LLVKDONJSA-N -1 3 304.777 2.936 20 0 DFADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000352516569 286395003 /nfs/dbraw/zinc/39/50/03/286395003.db2.gz LSXZFLPAHNWTBU-NSHDSACASA-N -1 3 320.776 2.833 20 0 DFADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ncccc1[O-] ZINC000352517812 286395422 /nfs/dbraw/zinc/39/54/22/286395422.db2.gz SKVHLZLMFFYSBF-SNVBAGLBSA-N -1 3 306.749 2.524 20 0 DFADHM COc1ccc(C2(C(=O)NCc3ncccc3[O-])CCC2)cc1 ZINC000352506973 286392225 /nfs/dbraw/zinc/39/22/25/286392225.db2.gz IYSMMQMFAYJVDK-UHFFFAOYSA-N -1 3 312.369 2.534 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1)c1c(F)cncc1F ZINC000352508245 286392368 /nfs/dbraw/zinc/39/23/68/286392368.db2.gz DARWCAPYNTVPTN-MRVPVSSYSA-N -1 3 316.304 2.538 20 0 DFADHM COC(=O)[C@H](NCc1nc(C)ccc1[O-])c1cc(C)cc(C)c1 ZINC000428403661 296694639 /nfs/dbraw/zinc/69/46/39/296694639.db2.gz UFRQVZYHAJUENL-QGZVFWFLSA-N -1 3 314.385 2.716 20 0 DFADHM Cc1cc(C(=O)N2CCOc3ccc(F)cc3C2)ccc1[O-] ZINC000428425489 296696083 /nfs/dbraw/zinc/69/60/83/296696083.db2.gz CZVHCNJQXAHNEN-UHFFFAOYSA-N -1 3 301.317 2.875 20 0 DFADHM COc1cccc(C(=O)N2Cc3ccccc3OC[C@H]2C)c1[O-] ZINC000272913677 286443642 /nfs/dbraw/zinc/44/36/42/286443642.db2.gz HXNLXJDMZUNOEY-GFCCVEGCSA-N -1 3 313.353 2.824 20 0 DFADHM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1cccc(F)c1 ZINC000352733966 286454227 /nfs/dbraw/zinc/45/42/27/286454227.db2.gz XNOSGIVWLXWINJ-UHFFFAOYSA-N -1 3 315.316 2.896 20 0 DFADHM Cc1cc(F)ccc1CN(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000493393631 299771929 /nfs/dbraw/zinc/77/19/29/299771929.db2.gz BRXUWQGSYLGJLL-ZZXKWVIFSA-N -1 3 300.333 2.907 20 0 DFADHM CCOc1ccc(/C=C/C(=O)[N-]OC/C=C\Cl)cc1OC ZINC000493445410 299781648 /nfs/dbraw/zinc/78/16/48/299781648.db2.gz DFFZBKIRXNHTMS-ZZVMGALASA-N -1 3 311.765 2.907 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NCCc1ccc2[nH]ccc2c1 ZINC000493488286 299788657 /nfs/dbraw/zinc/78/86/57/299788657.db2.gz TULOXBOGHCPZIY-RQOWECAXSA-N -1 3 307.353 2.641 20 0 DFADHM Cc1ccncc1N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000353332940 286615815 /nfs/dbraw/zinc/61/58/15/286615815.db2.gz RHAKRWAVMNDYCE-UHFFFAOYSA-N -1 3 319.355 2.696 20 0 DFADHM Cc1cc(Br)c([O-])c(NC(=O)[C@H](N)CC(C)C)c1 ZINC000353338322 286617259 /nfs/dbraw/zinc/61/72/59/286617259.db2.gz SPQZQBPQTZTOBA-SNVBAGLBSA-N -1 3 315.211 2.775 20 0 DFADHM Cc1nc([C@](C)(NC(=O)c2cc([O-])ccc2Cl)C2CC2)no1 ZINC000353466025 286654771 /nfs/dbraw/zinc/65/47/71/286654771.db2.gz XOONEDSGNUCYEN-OAHLLOKOSA-N -1 3 321.764 2.792 20 0 DFADHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cccc([O-])c1 ZINC000182548099 158004295 /nfs/dbraw/zinc/00/42/95/158004295.db2.gz HMXFNKPOCDPJFL-IPQOISQHSA-N -1 3 317.410 2.963 20 0 DFADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1noc(Cc2ccccc2)n1 ZINC000182571608 158006372 /nfs/dbraw/zinc/00/63/72/158006372.db2.gz DESLVZOJLSMSPU-GFCCVEGCSA-N -1 3 323.352 2.857 20 0 DFADHM O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1cccc([O-])c1 ZINC000182952425 158011272 /nfs/dbraw/zinc/01/12/72/158011272.db2.gz BHTBFWZCWHEXED-AWEZNQCLSA-N -1 3 314.360 2.930 20 0 DFADHM C[C@H]1CC(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000183721045 158023354 /nfs/dbraw/zinc/02/33/54/158023354.db2.gz GFDKSUTWNDBICY-ODOQXGPZSA-N -1 3 313.405 2.555 20 0 DFADHM C[C@H]1CC(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000183721045 158023357 /nfs/dbraw/zinc/02/33/57/158023357.db2.gz GFDKSUTWNDBICY-ODOQXGPZSA-N -1 3 313.405 2.555 20 0 DFADHM Cc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1cccc([O-])c1 ZINC000183992645 158025899 /nfs/dbraw/zinc/02/58/99/158025899.db2.gz BWNZBYBWTRLZPC-GFCCVEGCSA-N -1 3 319.382 2.502 20 0 DFADHM C[C@H]1CC(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000184194632 158028075 /nfs/dbraw/zinc/02/80/75/158028075.db2.gz ZMFLSUURLBQCTO-VXGBXAGGSA-N -1 3 313.405 2.801 20 0 DFADHM C[C@H]1CC(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000184194632 158028078 /nfs/dbraw/zinc/02/80/78/158028078.db2.gz ZMFLSUURLBQCTO-VXGBXAGGSA-N -1 3 313.405 2.801 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000184274511 158030411 /nfs/dbraw/zinc/03/04/11/158030411.db2.gz PHRHLGRKBHHWOQ-UHFFFAOYSA-N -1 3 315.410 2.762 20 0 DFADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000184995609 158042781 /nfs/dbraw/zinc/04/27/81/158042781.db2.gz ABLZSZLTHDRDJN-NSHDSACASA-N -1 3 305.440 2.944 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@]1(C)CCCS1 ZINC000185161258 158046707 /nfs/dbraw/zinc/04/67/07/158046707.db2.gz UOXDAOPSWYZRCL-ZDUSSCGKSA-N -1 3 303.424 2.698 20 0 DFADHM Cc1cc2c(cc1C)[C@H](C(=O)Nc1nnc(-c3ccco3)[n-]1)CO2 ZINC000185315262 158053278 /nfs/dbraw/zinc/05/32/78/158053278.db2.gz GVJIETXWVLLDPM-GFCCVEGCSA-N -1 3 324.340 2.796 20 0 DFADHM Cc1cc2c(cc1C)[C@H](C(=O)Nc1nc(-c3ccco3)n[n-]1)CO2 ZINC000185315262 158053279 /nfs/dbraw/zinc/05/32/79/158053279.db2.gz GVJIETXWVLLDPM-GFCCVEGCSA-N -1 3 324.340 2.796 20 0 DFADHM Cc1cc2c(cc1C)[C@H](C(=O)Nc1n[n-]c(-c3ccco3)n1)CO2 ZINC000185315262 158053283 /nfs/dbraw/zinc/05/32/83/158053283.db2.gz GVJIETXWVLLDPM-GFCCVEGCSA-N -1 3 324.340 2.796 20 0 DFADHM O=C(NCCCNc1ccncc1Cl)c1cccc([O-])c1 ZINC000301559599 158220134 /nfs/dbraw/zinc/22/01/34/158220134.db2.gz IDDFDYXMJOXLOO-UHFFFAOYSA-N -1 3 305.765 2.673 20 0 DFADHM Cc1cc(C(=O)NCC[C@@H]2COc3ccccc3O2)ccc1[O-] ZINC000354602454 158237897 /nfs/dbraw/zinc/23/78/97/158237897.db2.gz SWBOKLWGNIYSEE-CQSZACIVSA-N -1 3 313.353 2.661 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2ccc(-n3ccnn3)cc2)c1 ZINC000354600799 158238116 /nfs/dbraw/zinc/23/81/16/158238116.db2.gz NEDAPFPEEZIHOC-UHFFFAOYSA-N -1 3 308.341 2.788 20 0 DFADHM Cc1cc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)ccc1[O-] ZINC000354600013 158238635 /nfs/dbraw/zinc/23/86/35/158238635.db2.gz DKDWBMAHMYZPKC-KRWDZBQOSA-N -1 3 313.353 2.620 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2cc(-c3ccncc3)nn2C)c1 ZINC000354876094 158239710 /nfs/dbraw/zinc/23/97/10/158239710.db2.gz KDCAAVNQOBXUNN-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM Cc1cccc(C)c1[C@H](C)NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000355175499 158289741 /nfs/dbraw/zinc/28/97/41/158289741.db2.gz TUZXLMXGJCEZQQ-LBPRGKRZSA-N -1 3 324.384 2.782 20 0 DFADHM O=C(N[C@@H](c1nccs1)C(F)(F)F)c1cccc([O-])c1 ZINC000356932415 158325584 /nfs/dbraw/zinc/32/55/84/158325584.db2.gz YFUQXPBPHHJISJ-VIFPVBQESA-N -1 3 302.277 2.882 20 0 DFADHM FC(F)(F)[C@H](CN=c1ncnc2[nH][n-]cc1-2)Cc1ccccc1 ZINC000356956455 158331380 /nfs/dbraw/zinc/33/13/80/158331380.db2.gz ZLDVGARKJBGRTQ-NSHDSACASA-N -1 3 321.306 2.560 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000356982076 158338187 /nfs/dbraw/zinc/33/81/87/158338187.db2.gz KUVFIGZERPXMCQ-GOSISDBHSA-N -1 3 324.380 2.568 20 0 DFADHM CC(C)COCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000359372535 158416519 /nfs/dbraw/zinc/41/65/19/158416519.db2.gz WPEFBCUEHHFSAW-UHFFFAOYSA-N -1 3 323.817 2.820 20 0 DFADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000362095038 158481970 /nfs/dbraw/zinc/48/19/70/158481970.db2.gz OWZMALMPDFRTJF-ZCFIWIBFSA-N -1 3 303.252 2.584 20 0 DFADHM CNC(=O)c1ccc(/C=C\C(=O)[N-]O[C@@H](C)c2ccccc2)cc1 ZINC000493750385 299821823 /nfs/dbraw/zinc/82/18/23/299821823.db2.gz GRTYDUVIDWWTSH-ZVHGMHCTSA-N -1 3 324.380 2.868 20 0 DFADHM CCc1cc(C(=O)N2CCN[C@H](c3ccccc3)C2)ccc1[O-] ZINC000457019544 298624194 /nfs/dbraw/zinc/62/41/94/298624194.db2.gz LFTWDZGCYCMFDA-KRWDZBQOSA-N -1 3 310.397 2.741 20 0 DFADHM CC(C)CN(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000431901749 296854524 /nfs/dbraw/zinc/85/45/24/296854524.db2.gz JSPJANQPJLYBOP-UHFFFAOYSA-N -1 3 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ZINC000031818670 425836966 /nfs/dbraw/zinc/83/69/66/425836966.db2.gz DSHVKGMNQSGTIQ-UHFFFAOYSA-N -1 3 308.341 2.788 20 0 DFADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000032631034 425839157 /nfs/dbraw/zinc/83/91/57/425839157.db2.gz NJNOMHPLLYANMG-UHFFFAOYSA-N -1 3 321.398 2.821 20 0 DFADHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000033697411 425842413 /nfs/dbraw/zinc/84/24/13/425842413.db2.gz VHGTYHFNCQDBIB-QMMMGPOBSA-N -1 3 312.218 2.697 20 0 DFADHM CC(C)N(CC(=O)[O-])Cc1ccc(Br)cc1F ZINC000037994827 425849709 /nfs/dbraw/zinc/84/97/09/425849709.db2.gz CUAOSJKTKLPQRD-UHFFFAOYSA-N -1 3 304.159 2.883 20 0 DFADHM O=S(=O)([N-]CCCOCC1CC1)c1ccc(F)cc1Cl ZINC000044307123 425856079 /nfs/dbraw/zinc/85/60/79/425856079.db2.gz DTXZOWZRKYLIJT-UHFFFAOYSA-N -1 3 321.801 2.574 20 0 DFADHM Cc1cccc(C)c1OCCNC(=O)c1ccc(O)cc1[O-] ZINC000192499956 268039180 /nfs/dbraw/zinc/03/91/80/268039180.db2.gz MFGRPHHCWYGKBO-UHFFFAOYSA-N -1 3 301.342 2.523 20 0 DFADHM COc1cccc(C(=O)N2CCc3c2cc(F)cc3F)c1[O-] ZINC000192597795 268042360 /nfs/dbraw/zinc/04/23/60/268042360.db2.gz WWDOHIDXKCJKBS-UHFFFAOYSA-N -1 3 305.280 2.882 20 0 DFADHM COc1ccc([C@@H](NC(=O)c2ccc(O)cc2[O-])C2CC2)cc1 ZINC000193186052 268061558 /nfs/dbraw/zinc/06/15/58/268061558.db2.gz QZLQMTZQXOGLHD-KRWDZBQOSA-N -1 3 313.353 2.988 20 0 DFADHM CCc1nnc([N-]C(=O)c2ccoc2Br)s1 ZINC000193385537 268067587 /nfs/dbraw/zinc/06/75/87/268067587.db2.gz LYIVDLSNWTZOBL-UHFFFAOYSA-N -1 3 302.153 2.708 20 0 DFADHM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000193507592 268070480 /nfs/dbraw/zinc/07/04/80/268070480.db2.gz NUEKLUIEYDWKQI-SECBINFHSA-N -1 3 305.305 2.737 20 0 DFADHM COc1cccc([C@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000193616659 268074331 /nfs/dbraw/zinc/07/43/31/268074331.db2.gz IJJOEHNKMAICOM-JTQLQIEISA-N -1 3 312.329 2.816 20 0 DFADHM COc1cccc([C@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000193616659 268074333 /nfs/dbraw/zinc/07/43/33/268074333.db2.gz IJJOEHNKMAICOM-JTQLQIEISA-N -1 3 312.329 2.816 20 0 DFADHM COc1cccc([C@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000193616659 268074334 /nfs/dbraw/zinc/07/43/34/268074334.db2.gz IJJOEHNKMAICOM-JTQLQIEISA-N -1 3 312.329 2.816 20 0 DFADHM CC(=O)c1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)ccc1C ZINC000194017719 268087721 /nfs/dbraw/zinc/08/77/21/268087721.db2.gz QVYVZSCLDJOIQH-UHFFFAOYSA-N -1 3 310.313 2.828 20 0 DFADHM CC(=O)c1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)ccc1C ZINC000194017719 268087724 /nfs/dbraw/zinc/08/77/24/268087724.db2.gz QVYVZSCLDJOIQH-UHFFFAOYSA-N -1 3 310.313 2.828 20 0 DFADHM CC(=O)c1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)ccc1C ZINC000194017719 268087725 /nfs/dbraw/zinc/08/77/25/268087725.db2.gz QVYVZSCLDJOIQH-UHFFFAOYSA-N -1 3 310.313 2.828 20 0 DFADHM Cc1cc2c(cc1NC(=O)c1n[n-]nc1-c1ccccc1)OCO2 ZINC000194227453 268095539 /nfs/dbraw/zinc/09/55/39/268095539.db2.gz CNHSOOKPVZKEMH-UHFFFAOYSA-N -1 3 322.324 2.761 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1nccn1-c1ccccc1 ZINC000194726508 268113287 /nfs/dbraw/zinc/11/32/87/268113287.db2.gz XPKWYJDZZUPBAO-VOTSOKGWSA-N 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O=C([N-]OC[C@H]1CCOC1)Nc1cccc(-c2nccs2)c1 ZINC000276447093 268262432 /nfs/dbraw/zinc/26/24/32/268262432.db2.gz VLQXQVVSVDGKRZ-NSHDSACASA-N -1 3 319.386 2.900 20 0 DFADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCCCCC2)s1 ZINC000048664426 425876636 /nfs/dbraw/zinc/87/66/36/425876636.db2.gz CXKAIXQXPPLGBQ-UHFFFAOYSA-N -1 3 317.432 2.536 20 0 DFADHM Cc1ccc(-c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)c([O-])c1 ZINC000278180185 268267182 /nfs/dbraw/zinc/26/71/82/268267182.db2.gz VJRBZSNAVMKHBM-SWLSCSKDSA-N -1 3 315.373 2.676 20 0 DFADHM CSCC1CCC(NC(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000296259703 268300862 /nfs/dbraw/zinc/30/08/62/268300862.db2.gz QLBMFFWHMRJXFS-UHFFFAOYSA-N -1 3 322.409 2.749 20 0 DFADHM CSCC1CCC(NC(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000296259703 268300865 /nfs/dbraw/zinc/30/08/65/268300865.db2.gz QLBMFFWHMRJXFS-UHFFFAOYSA-N -1 3 322.409 2.749 20 0 DFADHM CSCC1CCC(NC(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000296259703 268300867 /nfs/dbraw/zinc/30/08/67/268300867.db2.gz QLBMFFWHMRJXFS-UHFFFAOYSA-N -1 3 322.409 2.749 20 0 DFADHM O=S(=O)([N-]CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000298098116 268312873 /nfs/dbraw/zinc/31/28/73/268312873.db2.gz KDAPGGBESKNNMC-UHFFFAOYSA-N -1 3 307.215 2.546 20 0 DFADHM CCC(CC)(C[N-]S(=O)(=O)c1cccc(C)c1F)OC ZINC000313218583 268339283 /nfs/dbraw/zinc/33/92/83/268339283.db2.gz JJDSPUVAENPKOB-UHFFFAOYSA-N -1 3 303.399 2.618 20 0 DFADHM CC[C@@H](CCO)CNCc1cccc([O-])c1Br ZINC000315091906 268342078 /nfs/dbraw/zinc/34/20/78/268342078.db2.gz VLIHWQAIDSTVGW-JTQLQIEISA-N -1 3 302.212 2.653 20 0 DFADHM C[C@@H](CO)CCCNCc1cccc([O-])c1Br ZINC000315106346 268342543 /nfs/dbraw/zinc/34/25/43/268342543.db2.gz XOJPXUBUEFHBIP-SNVBAGLBSA-N -1 3 302.212 2.653 20 0 DFADHM C[C@@H](CC(C)(C)O)NCc1cccc([O-])c1Br ZINC000315090814 268342637 /nfs/dbraw/zinc/34/26/37/268342637.db2.gz HJAQINODZQKBIM-VIFPVBQESA-N -1 3 302.212 2.794 20 0 DFADHM Cc1n[nH]cc1CCCNCc1cccc([O-])c1Br ZINC000315431032 268343019 /nfs/dbraw/zinc/34/30/19/268343019.db2.gz NVJSZZIEGDONOR-UHFFFAOYSA-N -1 3 324.222 2.909 20 0 DFADHM CN(Cc1cccc([O-])c1Br)C[C@H]1CCCO1 ZINC000315574132 268343074 /nfs/dbraw/zinc/34/30/74/268343074.db2.gz FBWSZDMLDWJQRD-LLVKDONJSA-N -1 3 300.196 2.766 20 0 DFADHM CO[C@@H](CNCc1cccc([O-])c1Br)C(C)C ZINC000315344068 268343118 /nfs/dbraw/zinc/34/31/18/268343118.db2.gz KTFYXGREAVBEBX-LBPRGKRZSA-N -1 3 302.212 2.915 20 0 DFADHM [O-]c1cccc(CNC[C@H]2CCSC2)c1Br ZINC000315268623 268343194 /nfs/dbraw/zinc/34/31/94/268343194.db2.gz ROOKDEMGYMWOFO-SECBINFHSA-N -1 3 302.237 2.997 20 0 DFADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@H](C)N1C ZINC000315291265 268343391 /nfs/dbraw/zinc/34/33/91/268343391.db2.gz PWWPZPADIRDOFK-PHIMTYICSA-N -1 3 313.239 2.679 20 0 DFADHM O=C([O-])c1cnc2ccccc2c1NC[C@@H]1CCC[C@@H](O)C1 ZINC000318753422 268345542 /nfs/dbraw/zinc/34/55/42/268345542.db2.gz XZSKMCVFFXYNKY-VXGBXAGGSA-N -1 3 300.358 2.896 20 0 DFADHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C)cs2)C1(C)C ZINC000331802049 268358948 /nfs/dbraw/zinc/35/89/48/268358948.db2.gz SGGMPZKOLUIYGU-ZWNOBZJWSA-N -1 3 303.449 2.538 20 0 DFADHM CCC[C@H]1CCCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000330884080 268355409 /nfs/dbraw/zinc/35/54/09/268355409.db2.gz KEUXKNOQLQZISF-HNNXBMFYSA-N -1 3 324.446 2.853 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCc3ccccc32)o1 ZINC000331752209 268358983 /nfs/dbraw/zinc/35/89/83/268358983.db2.gz BSNBMCIZDMGBEF-AWEZNQCLSA-N -1 3 305.399 2.986 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCC2(C)CC2)c1 ZINC000331948181 268359125 /nfs/dbraw/zinc/35/91/25/268359125.db2.gz YNODNHWLNOLGTQ-UHFFFAOYSA-N -1 3 303.811 2.817 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCCCO1)c1cccc(Cl)c1Cl ZINC000049064600 425878317 /nfs/dbraw/zinc/87/83/17/425878317.db2.gz JWBDMZCALMAXHE-VIFPVBQESA-N -1 3 324.229 2.841 20 0 DFADHM Cc1cccc(-c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)c1[O-] ZINC000333021393 268369597 /nfs/dbraw/zinc/36/95/97/268369597.db2.gz FAIUZZXTASTOAG-OCCSQVGLSA-N -1 3 315.373 2.676 20 0 DFADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc2c(cc1[O-])CCCC2 ZINC000333048527 268371026 /nfs/dbraw/zinc/37/10/26/268371026.db2.gz 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Cc1ccc(-c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)c([O-])c1 ZINC000333234294 268384666 /nfs/dbraw/zinc/38/46/66/268384666.db2.gz HGSZOTMFWTWXOY-YOEHRIQHSA-N -1 3 315.373 2.676 20 0 DFADHM O=S(=O)([N-]CCc1ccc(Cl)s1)c1cccs1 ZINC000049335518 425879080 /nfs/dbraw/zinc/87/90/80/425879080.db2.gz ZPIBOVUAWCYTDR-UHFFFAOYSA-N -1 3 307.849 2.984 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3CCc4ccncc43)c([O-])c2O1 ZINC000333322321 268391820 /nfs/dbraw/zinc/39/18/20/268391820.db2.gz XDKCAAVCVWEGFA-UHFFFAOYSA-N -1 3 310.353 2.704 20 0 DFADHM CC(C)C[C@H](C)CC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000069423342 425939175 /nfs/dbraw/zinc/93/91/75/425939175.db2.gz MJBFZGJZKMUGIC-AWEZNQCLSA-N -1 3 320.433 2.701 20 0 DFADHM Cc1ccccc1OCCN(C)C(=O)c1c([O-])cccc1O ZINC000125593901 425981499 /nfs/dbraw/zinc/98/14/99/425981499.db2.gz SLDBEXGPUVTEGW-UHFFFAOYSA-N -1 3 301.342 2.557 20 0 DFADHM CCCOc1ccc(CNC(=O)c2c([O-])cccc2O)cc1 ZINC000125691796 425985641 /nfs/dbraw/zinc/98/56/41/425985641.db2.gz VLIRDDLLXRMHHL-UHFFFAOYSA-N -1 3 301.342 2.817 20 0 DFADHM COc1cc(C(=O)N2CC[C@@H](CC(C)C)C2)cc(OC)c1[O-] ZINC000125845997 425993010 /nfs/dbraw/zinc/99/30/10/425993010.db2.gz QOHTXTASADJDAB-LBPRGKRZSA-N -1 3 307.390 2.918 20 0 DFADHM COc1cc(Cl)ccc1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000107665656 425998275 /nfs/dbraw/zinc/99/82/75/425998275.db2.gz IOSLESGWQMTBPF-UHFFFAOYSA-N -1 3 316.748 2.550 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2C)c([O-])c1 ZINC000107759777 426002218 /nfs/dbraw/zinc/00/22/18/426002218.db2.gz PYTKKZURUKPMLH-GUTXKFCHSA-N -1 3 316.401 2.676 20 0 DFADHM COC(=O)c1c(C)[n-]c(=O)nc1SCC1CCCCCC1 ZINC000124836406 425940947 /nfs/dbraw/zinc/94/09/47/425940947.db2.gz KALUDVSTTAHYHZ-UHFFFAOYSA-N -1 3 310.419 2.927 20 0 DFADHM CN(Cc1cccnc1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000103519470 425951438 /nfs/dbraw/zinc/95/14/38/425951438.db2.gz OOJBYXUVYDPXNA-UHFFFAOYSA-N -1 3 312.369 2.773 20 0 DFADHM O=C(CCCNC(=O)[C@@H]1CC=CCC1)Nc1ccc([O-])cc1F ZINC000337039498 268458989 /nfs/dbraw/zinc/45/89/89/268458989.db2.gz 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/nfs/dbraw/zinc/03/31/64/426033164.db2.gz ZGUCNUHNCDAOGG-JTQLQIEISA-N -1 3 305.330 2.802 20 0 DFADHM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000110313821 426034640 /nfs/dbraw/zinc/03/46/40/426034640.db2.gz FPOZTKLVXSTQLN-SJCJKPOMSA-N -1 3 313.353 2.700 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)c1[O-] ZINC000126826392 426038676 /nfs/dbraw/zinc/03/86/76/426038676.db2.gz QAUCWOWYIWVTHT-ZDUSSCGKSA-N -1 3 322.368 2.772 20 0 DFADHM COCCN(Cc1ccco1)C(=O)Cc1ccc([O-])cc1Cl ZINC000162653458 426072227 /nfs/dbraw/zinc/07/22/27/426072227.db2.gz MOFMTODLEACUFY-UHFFFAOYSA-N -1 3 323.776 2.856 20 0 DFADHM CC(C)CCn1cc(C(=O)[N-]c2nnc(CC(C)C)s2)nn1 ZINC000127133460 426052964 /nfs/dbraw/zinc/05/29/64/426052964.db2.gz QCBMKMBLJOVGBD-UHFFFAOYSA-N -1 3 322.438 2.627 20 0 DFADHM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1csc(=O)[n-]1 ZINC000337647631 268523594 /nfs/dbraw/zinc/52/35/94/268523594.db2.gz IKEHXDABIPBEGT-UHFFFAOYSA-N -1 3 319.361 2.832 20 0 DFADHM O=S(=O)([N-]c1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000074927966 426058597 /nfs/dbraw/zinc/05/85/97/426058597.db2.gz YQEJHVKFHDBBHV-UHFFFAOYSA-N -1 3 311.746 2.870 20 0 DFADHM CCOc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2)cc1C ZINC000074935243 426058913 /nfs/dbraw/zinc/05/89/13/426058913.db2.gz HNNRHVMCWCAVMH-UHFFFAOYSA-N -1 3 306.387 2.898 20 0 DFADHM O=C(/C=C/c1ccccc1OC(F)F)[N-]O[C@H]1CCCCO1 ZINC000162272885 426059116 /nfs/dbraw/zinc/05/91/16/426059116.db2.gz USCFQAIAQUIDTJ-VFNNOXKTSA-N -1 3 313.300 2.876 20 0 DFADHM COc1ccccc1O[C@H](C)CNC(=O)c1ccccc1[O-] ZINC000075180389 426067060 /nfs/dbraw/zinc/06/70/60/426067060.db2.gz CRHRFUIYASIOOO-GFCCVEGCSA-N -1 3 301.342 2.598 20 0 DFADHM CN(C)[C@@H](CNC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000072045967 426008039 /nfs/dbraw/zinc/00/80/39/426008039.db2.gz DIGGZWOXHZYWQV-AWEZNQCLSA-N -1 3 320.339 2.703 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccccc1)[S@@](=O)c1ccc([O-])cc1 ZINC000108084665 426009837 /nfs/dbraw/zinc/00/98/37/426009837.db2.gz PLSIPYVRTFMRQV-QKVFXAPYSA-N -1 3 303.383 2.551 20 0 DFADHM C[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126203187 426010197 /nfs/dbraw/zinc/01/01/97/426010197.db2.gz OLPIQPPXXVFPHH-SECBINFHSA-N -1 3 313.195 2.849 20 0 DFADHM COc1cccc(C(=O)NC[C@@H]2CCOc3ccccc32)c1[O-] ZINC000108741949 426020895 /nfs/dbraw/zinc/02/08/95/426020895.db2.gz HOVHZZDCKLFVRJ-LBPRGKRZSA-N -1 3 313.353 2.697 20 0 DFADHM CC1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])COC1 ZINC000112728421 426090024 /nfs/dbraw/zinc/09/00/24/426090024.db2.gz DQCDMIXGSXVYAX-UHFFFAOYSA-N -1 3 311.381 2.749 20 0 DFADHM CCc1ncsc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000163590746 426104902 /nfs/dbraw/zinc/10/49/02/426104902.db2.gz QXLRXBVIGDCPAX-UHFFFAOYSA-N -1 3 308.359 2.681 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1coc2ccccc12 ZINC000113154269 426105763 /nfs/dbraw/zinc/10/57/63/426105763.db2.gz HUBOFJJUNMLNKA-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1coc2ccccc12 ZINC000113154269 426105767 /nfs/dbraw/zinc/10/57/67/426105767.db2.gz HUBOFJJUNMLNKA-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1coc2ccccc12 ZINC000113154269 426105770 /nfs/dbraw/zinc/10/57/70/426105770.db2.gz HUBOFJJUNMLNKA-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM O=S(=O)([N-][C@@H]1CC=CCC1)c1ccc(Cl)nc1Cl ZINC000076306667 426106617 /nfs/dbraw/zinc/10/66/17/426106617.db2.gz WYXUETKCIOESSN-MRVPVSSYSA-N -1 3 307.202 2.775 20 0 DFADHM CC[C@@H](C)CS(=O)(=O)[N-][C@H](C)c1noc(-c2ccccc2)n1 ZINC000128234928 426107912 /nfs/dbraw/zinc/10/79/12/426107912.db2.gz FLGDPTMODRDMIB-VXGBXAGGSA-N -1 3 323.418 2.763 20 0 DFADHM COc1ccc(CN(C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000163762184 426108407 /nfs/dbraw/zinc/10/84/07/426108407.db2.gz QYKOSPOELQRMQX-UHFFFAOYSA-N -1 3 318.348 2.882 20 0 DFADHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000128243678 426108865 /nfs/dbraw/zinc/10/88/65/426108865.db2.gz NDYUGJGFFGRTQT-NSHDSACASA-N -1 3 324.352 2.869 20 0 DFADHM O=C(Nc1ccc(N2CCCCC2)cn1)c1ccc2n[n-]nc2c1 ZINC000076386262 426109469 /nfs/dbraw/zinc/10/94/69/426109469.db2.gz UPRWNAFNSJHRBI-UHFFFAOYSA-N -1 3 322.372 2.596 20 0 DFADHM CCCCCN(CCO)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000128265056 426109600 /nfs/dbraw/zinc/10/96/00/426109600.db2.gz SRCIWIUMAFAHPI-UHFFFAOYSA-N -1 3 321.417 2.730 20 0 DFADHM Cc1ccc([O-])c(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC000128438219 426116216 /nfs/dbraw/zinc/11/62/16/426116216.db2.gz XAOMGESKRNJCOB-ZDUSSCGKSA-N -1 3 321.421 2.537 20 0 DFADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCO[C@@H](C)[C@@H]3C)c(=O)c2c1 ZINC000165005989 426119385 /nfs/dbraw/zinc/11/93/85/426119385.db2.gz VKKHRBUACYFKMB-STQMWFEESA-N -1 3 314.385 2.807 20 0 DFADHM COc1cccc(C(=O)NC[C@H](C)Oc2ccccc2)c1[O-] ZINC000113826832 426121621 /nfs/dbraw/zinc/12/16/21/426121621.db2.gz JYHGBCGCYPSKQD-LBPRGKRZSA-N -1 3 301.342 2.598 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N(C)CC3(O)CCCC3)c[n-]c12 ZINC000165301870 426122088 /nfs/dbraw/zinc/12/20/88/426122088.db2.gz LWIHNIANACXUQO-UHFFFAOYSA-N -1 3 314.385 2.626 20 0 DFADHM CCc1cc2c(CN3[C@H](C)COC[C@@H]3C)cc(=O)oc2cc1[O-] ZINC000077370309 426130671 /nfs/dbraw/zinc/13/06/71/426130671.db2.gz YXNDKDWQGSDZCT-TXEJJXNPSA-N -1 3 317.385 2.670 20 0 DFADHM C[C@H](CC1CCCC1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000114332236 426131363 /nfs/dbraw/zinc/13/13/63/426131363.db2.gz HWBIZOKCUJFUBQ-GFCCVEGCSA-N -1 3 313.405 2.699 20 0 DFADHM C[C@H](CC1CCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000114332236 426131366 /nfs/dbraw/zinc/13/13/66/426131366.db2.gz HWBIZOKCUJFUBQ-GFCCVEGCSA-N -1 3 313.405 2.699 20 0 DFADHM CC1([N-]S(=O)(=O)c2cc(Br)ccc2F)CCC1 ZINC000167416520 426132566 /nfs/dbraw/zinc/13/25/66/426132566.db2.gz AMGZIAWNMLPHCF-UHFFFAOYSA-N -1 3 322.199 2.809 20 0 DFADHM CSCCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000128857509 426135882 /nfs/dbraw/zinc/13/58/82/426135882.db2.gz MCXQTANUSFGGKW-UHFFFAOYSA-N -1 3 311.831 2.901 20 0 DFADHM CSCCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000128865363 426136736 /nfs/dbraw/zinc/13/67/36/426136736.db2.gz NKSOIDPENUXUIQ-UHFFFAOYSA-N -1 3 311.831 2.901 20 0 DFADHM CCCCc1nc(CO[N-]C(=O)CCCc2ccccc2)no1 ZINC000112335354 426073212 /nfs/dbraw/zinc/07/32/12/426073212.db2.gz NPAFAWLYLGGHBH-UHFFFAOYSA-N -1 3 317.389 2.983 20 0 DFADHM Cc1ccc(-c2cc(C(=O)[N-]c3nnc4n3CCCC4)on2)cc1 ZINC000162727996 426074312 /nfs/dbraw/zinc/07/43/12/426074312.db2.gz AMVPDOZHROQLTO-UHFFFAOYSA-N -1 3 323.356 2.830 20 0 DFADHM COc1ccc2[nH]cc(CC(=O)[N-]OCCC(F)(F)F)c2c1 ZINC000162805283 426078651 /nfs/dbraw/zinc/07/86/51/426078651.db2.gz RWQFKNNQGFTWPF-UHFFFAOYSA-N -1 3 316.279 2.719 20 0 DFADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccncc2C)cc1 ZINC000112496759 426079694 /nfs/dbraw/zinc/07/96/94/426079694.db2.gz BCYCBEBGQBNNEE-UHFFFAOYSA-N -1 3 319.386 2.539 20 0 DFADHM Cc1nc(C)c(CCC(=O)N(c2ccccc2)C(C)C)c(=O)[n-]1 ZINC000079836072 426203824 /nfs/dbraw/zinc/20/38/24/426203824.db2.gz PZHVOCZUDILSMG-UHFFFAOYSA-N -1 3 313.401 2.761 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@H](C)NC(=O)c2ccco2)c1[O-] ZINC000116979078 426203864 /nfs/dbraw/zinc/20/38/64/426203864.db2.gz DOYFXYALCZHDRC-VIFPVBQESA-N -1 3 322.748 2.704 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1F)c1ccccc1 ZINC000170735402 426147256 /nfs/dbraw/zinc/14/72/56/426147256.db2.gz ICNXPMYWUBDGHX-OAHLLOKOSA-N -1 3 323.389 2.800 20 0 DFADHM COC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000170742250 426148059 /nfs/dbraw/zinc/14/80/59/426148059.db2.gz NQSHVCHZPBEKSU-QGZVFWFLSA-N -1 3 322.364 2.646 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cccc(C[S@](C)=O)c2)c1 ZINC000115258876 426158260 /nfs/dbraw/zinc/15/82/60/426158260.db2.gz LWTPRZGBRXUAQO-JOCHJYFZSA-N -1 3 319.382 2.532 20 0 DFADHM Cc1nc(C)c(CCC(=O)NCC[C@H]2CCC[C@H](C)C2)c(=O)[n-]1 ZINC000115277288 426158998 /nfs/dbraw/zinc/15/89/98/426158998.db2.gz UROUJPWFJWIBKW-SWLSCSKDSA-N -1 3 319.449 2.652 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1 ZINC000115313209 426161115 /nfs/dbraw/zinc/16/11/15/426161115.db2.gz NMZBJIBZUUCANP-HXUWFJFHSA-N -1 3 323.439 2.674 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CCSC[C@@H]1c1ccccc1 ZINC000115474840 426165461 /nfs/dbraw/zinc/16/54/61/426165461.db2.gz BQJDMJJZDYZYHS-MRXNPFEDSA-N -1 3 324.409 2.888 20 0 DFADHM Cc1cccc(C(=O)NC[C@H](c2cccs2)N(C)C)c1[O-] ZINC000078345984 426165735 /nfs/dbraw/zinc/16/57/35/426165735.db2.gz XRTLBAAZSPNMMN-CYBMUJFWSA-N -1 3 304.415 2.795 20 0 DFADHM CCCCN(CC)C(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117113059 426205700 /nfs/dbraw/zinc/20/57/00/426205700.db2.gz MMEFLTVEWHEDAT-UHFFFAOYSA-N -1 3 319.434 2.607 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)c1 ZINC000116056932 426178263 /nfs/dbraw/zinc/17/82/63/426178263.db2.gz KBVLTLDCSMQIRF-UONOGXRCSA-N -1 3 318.417 2.514 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)c([O-])c1 ZINC000116097825 426178995 /nfs/dbraw/zinc/17/89/95/426178995.db2.gz HFVFRZSTFWMQFF-BXUZGUMPSA-N -1 3 319.307 2.965 20 0 DFADHM CCCCCNC(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117116296 426206040 /nfs/dbraw/zinc/20/60/40/426206040.db2.gz ZIXRHQSYPUQKIA-NSHDSACASA-N -1 3 319.434 2.654 20 0 DFADHM COc1cccc(C(=O)N2CCO[C@H](c3ccccc3)C2)c1[O-] ZINC000078672630 426180810 /nfs/dbraw/zinc/18/08/10/426180810.db2.gz FNKZYNCXJKGOFU-INIZCTEOSA-N -1 3 313.353 2.615 20 0 DFADHM Cc1cccc(C(=O)NCc2ccc(-n3cccn3)cc2)c1[O-] ZINC000078901213 426188000 /nfs/dbraw/zinc/18/80/00/426188000.db2.gz PACIRTLIHPJIQK-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1ccccc1F ZINC000134657106 426191437 /nfs/dbraw/zinc/19/14/37/426191437.db2.gz NMVPXTCDYZFLGJ-GFCCVEGCSA-N -1 3 313.394 2.596 20 0 DFADHM Cc1cccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)c1[O-] ZINC000116644469 426193631 /nfs/dbraw/zinc/19/36/31/426193631.db2.gz SUDVUTQXQYDIND-MRXNPFEDSA-N -1 3 324.380 2.578 20 0 DFADHM O=C1CCCc2ccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)cc21 ZINC000175007834 426273698 /nfs/dbraw/zinc/27/36/98/426273698.db2.gz COEBRGHWUPNIEC-AWEZNQCLSA-N -1 3 323.414 2.516 20 0 DFADHM Cc1ccc(OCCNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000172513411 426227040 /nfs/dbraw/zinc/22/70/40/426227040.db2.gz BZKXKZQYWFCKGV-UHFFFAOYSA-N -1 3 318.348 2.718 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CSc2ccccc21 ZINC000118307685 426232240 /nfs/dbraw/zinc/23/22/40/426232240.db2.gz WGKNGASCFIUIEY-ZDUSSCGKSA-N -1 3 323.381 2.695 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CSc2ccccc21 ZINC000118307685 426232244 /nfs/dbraw/zinc/23/22/44/426232244.db2.gz WGKNGASCFIUIEY-ZDUSSCGKSA-N -1 3 323.381 2.695 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc2oc(=O)[nH]c2c1 ZINC000136136945 426236206 /nfs/dbraw/zinc/23/62/06/426236206.db2.gz CFQLJYGIOKISHU-UHFFFAOYSA-N -1 3 318.716 2.661 20 0 DFADHM O=S(=O)([N-]CCOC1CCCCCC1)c1cccs1 ZINC000118437610 426236760 /nfs/dbraw/zinc/23/67/60/426236760.db2.gz CEPBPBWZCRLAMI-UHFFFAOYSA-N -1 3 303.449 2.766 20 0 DFADHM COc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)c1[O-] ZINC000173283209 426237931 /nfs/dbraw/zinc/23/79/31/426237931.db2.gz GFIWSWBMNJZUNI-UHFFFAOYSA-N -1 3 312.325 2.538 20 0 DFADHM CC(=O)c1cnc([N-]C(=O)c2cc(-c3ccco3)on2)s1 ZINC000118683921 426241631 /nfs/dbraw/zinc/24/16/31/426241631.db2.gz IXVQOFIOELFVTE-UHFFFAOYSA-N -1 3 303.299 2.846 20 0 DFADHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084936686 426247484 /nfs/dbraw/zinc/24/74/84/426247484.db2.gz WBUOBBMYNJLAPI-ZDUSSCGKSA-N -1 3 322.430 2.586 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)ccc1Cl ZINC000151042478 426274569 /nfs/dbraw/zinc/27/45/69/426274569.db2.gz PWWUTTFITFAZCU-MIMYLULJSA-N -1 3 322.213 2.592 20 0 DFADHM Cc1cc(C)cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000085785550 426254534 /nfs/dbraw/zinc/25/45/34/426254534.db2.gz DDGNYPAHMWEBLQ-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM CC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccncc1 ZINC000174449526 426257707 /nfs/dbraw/zinc/25/77/07/426257707.db2.gz GENCVZGMRLJLSU-OAHLLOKOSA-N -1 3 307.353 2.804 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1cccc(F)c1F ZINC000119054139 426258422 /nfs/dbraw/zinc/25/84/22/426258422.db2.gz HGZHPKDUPZNINY-ZETCQYMHSA-N -1 3 316.329 2.609 20 0 DFADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)C(C)(F)F)cc2)n1 ZINC000339157427 268769615 /nfs/dbraw/zinc/76/96/15/268769615.db2.gz HMPUJBSMNUMJRL-SNVBAGLBSA-N -1 3 321.327 2.975 20 0 DFADHM Cc1cc2cc([N-]S(=O)(=O)C[C@@H]3CCCCO3)ccc2[nH]1 ZINC000150841746 426263388 /nfs/dbraw/zinc/26/33/88/426263388.db2.gz JWXZMMMGYSYRGT-AWEZNQCLSA-N -1 3 308.403 2.787 20 0 DFADHM CCCCN(CCCC)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119154828 426265728 /nfs/dbraw/zinc/26/57/28/426265728.db2.gz WZFNUERHEOCNGO-UHFFFAOYSA-N -1 3 304.394 2.716 20 0 DFADHM COC(=O)c1ccc(CCC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174882254 426266773 /nfs/dbraw/zinc/26/67/73/426266773.db2.gz ZWMOZMYOXKJORS-UHFFFAOYSA-N -1 3 317.316 2.889 20 0 DFADHM Cc1cccc(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)c1[O-] ZINC000150928950 426268554 /nfs/dbraw/zinc/26/85/54/426268554.db2.gz OVFPFLMUKXPDCW-AWEZNQCLSA-N -1 3 313.401 2.529 20 0 DFADHM CCOC(=O)[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(C)C ZINC000150998255 426271566 /nfs/dbraw/zinc/27/15/66/426271566.db2.gz OUSYKCPLQGDVOO-LLVKDONJSA-N -1 3 306.391 2.547 20 0 DFADHM Cc1[nH]c(=O)ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000119277736 426275180 /nfs/dbraw/zinc/27/51/80/426275180.db2.gz LFRGFPUAZDPPFN-UHFFFAOYSA-N -1 3 323.146 2.816 20 0 DFADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000135345052 426214061 /nfs/dbraw/zinc/21/40/61/426214061.db2.gz RBHLTFJKLCSOPP-SECBINFHSA-N -1 3 308.856 2.545 20 0 DFADHM CC(=O)NCCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000119437593 426289085 /nfs/dbraw/zinc/28/90/85/426289085.db2.gz TWZSKDJVGMSCGA-UHFFFAOYSA-N -1 3 306.406 2.505 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119448958 426289195 /nfs/dbraw/zinc/28/91/95/426289195.db2.gz HMJRPAHSUFUNPY-LBPRGKRZSA-N -1 3 309.373 2.628 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119448958 426289199 /nfs/dbraw/zinc/28/91/99/426289199.db2.gz HMJRPAHSUFUNPY-LBPRGKRZSA-N -1 3 309.373 2.628 20 0 DFADHM COc1ccc(OCCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000119474585 426291023 /nfs/dbraw/zinc/29/10/23/426291023.db2.gz ITCRPXWXDJNTNZ-UHFFFAOYSA-N -1 3 305.305 2.948 20 0 DFADHM COCCN(Cc1ccc(C)o1)C(=O)c1cc(C)ccc1[O-] ZINC000151402090 426293215 /nfs/dbraw/zinc/29/32/15/426293215.db2.gz CMIPHTQLKYEHMP-UHFFFAOYSA-N -1 3 303.358 2.891 20 0 DFADHM C[C@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nccn3C)[n-]n2)C1 ZINC000119539988 426295451 /nfs/dbraw/zinc/29/54/51/426295451.db2.gz CATYVBLTGQATQG-NWDGAFQWSA-N -1 3 301.394 2.965 20 0 DFADHM C[C@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nccn3C)n[n-]2)C1 ZINC000119539988 426295455 /nfs/dbraw/zinc/29/54/55/426295455.db2.gz CATYVBLTGQATQG-NWDGAFQWSA-N -1 3 301.394 2.965 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)/C=C/c2cccnc2)c([O-])c1 ZINC000089543849 426296547 /nfs/dbraw/zinc/29/65/47/426296547.db2.gz FBDCBWJMMUYFAD-VMPITWQZSA-N -1 3 312.325 2.616 20 0 DFADHM CC[C@](C)([N-]S(=O)(=O)c1ccccc1F)c1nccs1 ZINC000151484656 426298536 /nfs/dbraw/zinc/29/85/36/426298536.db2.gz KBWRYKMEFHVOIH-ZDUSSCGKSA-N -1 3 314.407 2.886 20 0 DFADHM Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c([O-])c1 ZINC000151496656 426298573 /nfs/dbraw/zinc/29/85/73/426298573.db2.gz BWKHIAPADNFRHF-QGZVFWFLSA-N -1 3 313.353 2.620 20 0 DFADHM CC[C@@](C)([N-]S(=O)(=O)c1ccccc1F)c1nccs1 ZINC000151484734 426299078 /nfs/dbraw/zinc/29/90/78/426299078.db2.gz KBWRYKMEFHVOIH-CYBMUJFWSA-N -1 3 314.407 2.886 20 0 DFADHM Cc1ccc(NC(=O)c2cccnc2OCC(F)F)c([O-])c1 ZINC000089639603 426300118 /nfs/dbraw/zinc/30/01/18/426300118.db2.gz IMIOEZYBHMWPGY-UHFFFAOYSA-N -1 3 308.284 2.992 20 0 DFADHM CS[C@@H](C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151570257 426302007 /nfs/dbraw/zinc/30/20/07/426302007.db2.gz HBCPLRDBRTXDQF-ZETCQYMHSA-N -1 3 304.209 2.522 20 0 DFADHM C[C@@]1(C(=O)Nc2ccc(Br)cc2[O-])CCCO1 ZINC000119829317 426302702 /nfs/dbraw/zinc/30/27/02/426302702.db2.gz ZYSZFCDDJXMUDU-LBPRGKRZSA-N -1 3 300.152 2.662 20 0 DFADHM COc1ccc([O-])c(C(=O)N(C)[C@@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000175452062 426305731 /nfs/dbraw/zinc/30/57/31/426305731.db2.gz LCDGIUFVUGMLAV-PBHICJAKSA-N -1 3 307.390 2.676 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)CCc2ccoc2)c([O-])c1 ZINC000175547089 426312088 /nfs/dbraw/zinc/31/20/88/426312088.db2.gz CYRGJHVXNIHBKF-UHFFFAOYSA-N -1 3 303.314 2.733 20 0 DFADHM Cc1nc(C)c(CCC(=O)NCC2CCC(C)(C)CC2)c(=O)[n-]1 ZINC000089838180 426312627 /nfs/dbraw/zinc/31/26/27/426312627.db2.gz GYXPNMNLTUNXJD-UHFFFAOYSA-N -1 3 319.449 2.652 20 0 DFADHM O=S(=O)(CCCF)[N-][C@H](c1nccs1)c1ccccc1 ZINC000175561399 426314075 /nfs/dbraw/zinc/31/40/75/426314075.db2.gz AYJVDTUQEMQNCP-LBPRGKRZSA-N -1 3 314.407 2.512 20 0 DFADHM CCS[C@@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)C(C)C ZINC000120797610 426315625 /nfs/dbraw/zinc/31/56/25/426315625.db2.gz FDSKYIYCJUXEMI-CQSZACIVSA-N -1 3 319.434 2.507 20 0 DFADHM CCS[C@@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)C(C)C ZINC000120797610 426315627 /nfs/dbraw/zinc/31/56/27/426315627.db2.gz FDSKYIYCJUXEMI-CQSZACIVSA-N -1 3 319.434 2.507 20 0 DFADHM Cc1cccc(C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)c1[O-] ZINC000151876159 426316744 /nfs/dbraw/zinc/31/67/44/426316744.db2.gz SQRAAKONIHNKKO-ZDUSSCGKSA-N -1 3 314.389 2.680 20 0 DFADHM CCC[C@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCO1 ZINC000089944504 426320929 /nfs/dbraw/zinc/32/09/29/426320929.db2.gz YRZPATLIAGVNCN-ZDUSSCGKSA-N -1 3 319.401 2.747 20 0 DFADHM Cc1ccc2c(c1)N(C(=O)c1ccc3n[n-]nc3c1)C[C@H](C)O2 ZINC000175772560 426327319 /nfs/dbraw/zinc/32/73/19/426327319.db2.gz QXIVEKUOEGGLCD-NSHDSACASA-N -1 3 308.341 2.694 20 0 DFADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(C)(C)C ZINC000175807777 426329485 /nfs/dbraw/zinc/32/94/85/426329485.db2.gz DHEHBEVYTDPELE-ZDUSSCGKSA-N -1 3 321.389 2.613 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1nc(C)cs1 ZINC000119284797 426275601 /nfs/dbraw/zinc/27/56/01/426275601.db2.gz NGOATYVZXJSJCJ-MRVPVSSYSA-N -1 3 318.445 2.561 20 0 DFADHM Cc1ccc(NC(=O)c2ccccc2Cn2cncn2)c([O-])c1 ZINC000175059986 426276632 /nfs/dbraw/zinc/27/66/32/426276632.db2.gz LIKBPFUCQPLKIG-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM COC(=O)C1(N(C)C(=O)c2ccc(C)cc2[O-])CCCCC1 ZINC000089361553 426286806 /nfs/dbraw/zinc/28/68/06/426286806.db2.gz WDYGTXJGUXMSNH-UHFFFAOYSA-N -1 3 305.374 2.649 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCC(c3nc(C)cs3)CC2)n1 ZINC000119425814 426287464 /nfs/dbraw/zinc/28/74/64/426287464.db2.gz KSIUBQDGHWTMET-UHFFFAOYSA-N -1 3 318.446 2.889 20 0 DFADHM COC(=O)c1cc(Cl)ccc1NC(=O)[N-]OCC(C)C ZINC000153608470 426394146 /nfs/dbraw/zinc/39/41/46/426394146.db2.gz TYBUIRGNVZPTDH-UHFFFAOYSA-N -1 3 300.742 2.836 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2cccc([C@@H](C)OC)c2)c[n-]1 ZINC000339762009 268883345 /nfs/dbraw/zinc/88/33/45/268883345.db2.gz VYOXEOORALZGLM-SNVBAGLBSA-N -1 3 302.330 2.761 20 0 DFADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1ccccc1F ZINC000121422620 426341229 /nfs/dbraw/zinc/34/12/29/426341229.db2.gz GEORCGCIPIFZFS-OAHLLOKOSA-N -1 3 323.389 2.618 20 0 DFADHM CCOc1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1OC ZINC000175977015 426342947 /nfs/dbraw/zinc/34/29/47/426342947.db2.gz OUTONQPYFGJCNY-UHFFFAOYSA-N -1 3 309.259 2.611 20 0 DFADHM CCN(Cc1ccc(OC)cc1)C(=O)c1c([O-])cccc1O ZINC000092117916 426346599 /nfs/dbraw/zinc/34/65/99/426346599.db2.gz BNRAMASAFGTRKZ-UHFFFAOYSA-N -1 3 301.342 2.769 20 0 DFADHM COCc1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)o1 ZINC000121496065 426347167 /nfs/dbraw/zinc/34/71/67/426347167.db2.gz QAVYCWJEZYTDCA-UHFFFAOYSA-N -1 3 312.329 2.772 20 0 DFADHM O=C(NCCCc1c[nH]c2ccccc12)c1c([O-])cccc1O ZINC000092121400 426348559 /nfs/dbraw/zinc/34/85/59/426348559.db2.gz XXYKTYICDVTQOK-UHFFFAOYSA-N -1 3 310.353 2.942 20 0 DFADHM CC[C@@H](CNC(=O)c1c([O-])cccc1O)Oc1ccccc1F ZINC000092123989 426348704 /nfs/dbraw/zinc/34/87/04/426348704.db2.gz NKLWNFQVEFWTMN-NSHDSACASA-N -1 3 319.332 2.824 20 0 DFADHM Cc1ccc(O[C@H](C)CNC(=O)c2c([O-])cccc2O)cc1 ZINC000092123261 426348847 /nfs/dbraw/zinc/34/88/47/426348847.db2.gz GRKFKHRUHWBEMA-GFCCVEGCSA-N -1 3 301.342 2.604 20 0 DFADHM CCCS(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1OC ZINC000152719168 426350974 /nfs/dbraw/zinc/35/09/74/426350974.db2.gz XQOILOFFBUPQJQ-OAHLLOKOSA-N -1 3 309.387 2.707 20 0 DFADHM COc1ccc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000092760466 426351037 /nfs/dbraw/zinc/35/10/37/426351037.db2.gz QFLKDXJOBSVLJX-GFCCVEGCSA-N -1 3 315.369 2.810 20 0 DFADHM COc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000092760464 426351804 /nfs/dbraw/zinc/35/18/04/426351804.db2.gz QFLKDXJOBSVLJX-LBPRGKRZSA-N -1 3 315.369 2.810 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(c2cc[nH]n2)CC1 ZINC000152789724 426353949 /nfs/dbraw/zinc/35/39/49/426353949.db2.gz QMXVBGRTAHGCCT-UHFFFAOYSA-N -1 3 319.792 2.717 20 0 DFADHM Cc1ccn2c(c1)nnc2[N-]C(=O)C(=O)c1ccc(Cl)cc1 ZINC000121896248 426355260 /nfs/dbraw/zinc/35/52/60/426355260.db2.gz SRRITEBUGVQBSZ-UHFFFAOYSA-N -1 3 314.732 2.513 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)sc1Br ZINC000122043580 426357749 /nfs/dbraw/zinc/35/77/49/426357749.db2.gz WGEUEGRHBLSGHK-SVRRBLITSA-N -1 3 324.265 2.753 20 0 DFADHM CCc1ccc(O)c([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000094427196 426361411 /nfs/dbraw/zinc/36/14/11/426361411.db2.gz VZRGSGSKWKCFFV-UHFFFAOYSA-N 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Cc1cc2c(cc1C)[C@H](C(=O)NCc1ccc([O-])c(F)c1)CO2 ZINC000186178236 426491394 /nfs/dbraw/zinc/49/13/94/426491394.db2.gz DJJUURISGYTMTF-CQSZACIVSA-N -1 3 315.344 2.941 20 0 DFADHM CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000186179319 426491614 /nfs/dbraw/zinc/49/16/14/426491614.db2.gz TZIIIXMQNHTGJF-UHFFFAOYSA-N -1 3 303.811 2.817 20 0 DFADHM CN(C[C@H]1CCCOC1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000186187436 426492325 /nfs/dbraw/zinc/49/23/25/426492325.db2.gz DBIPXJJAIMUGKF-CYBMUJFWSA-N -1 3 303.402 2.770 20 0 DFADHM O=C(C1CCCCC1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186198493 426493632 /nfs/dbraw/zinc/49/36/32/426493632.db2.gz JTGNEIXLXHGRJV-UHFFFAOYSA-N -1 3 320.408 2.756 20 0 DFADHM Cc1nc(C[C@@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)no1 ZINC000186207464 426494535 /nfs/dbraw/zinc/49/45/35/426494535.db2.gz WBBFQLHMTQZIAA-LBPRGKRZSA-N -1 3 305.353 2.677 20 0 DFADHM Cc1ncc(CN2CCN(Cc3cc([O-])cc(F)c3)CC2)s1 ZINC000186217707 426495022 /nfs/dbraw/zinc/49/50/22/426495022.db2.gz KHPFZRQNIYPVSF-UHFFFAOYSA-N -1 3 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ZINC000289213370 426607332 /nfs/dbraw/zinc/60/73/32/426607332.db2.gz SULRGVSFTNYPBR-CQSZACIVSA-N -1 3 316.361 2.667 20 0 DFADHM CC[S@](=O)c1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000178328812 426608040 /nfs/dbraw/zinc/60/80/40/426608040.db2.gz AIXTZEVEVNPODJ-NRFANRHFSA-N -1 3 307.346 2.911 20 0 DFADHM CSc1nnc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)[n-]1 ZINC000265286984 426612629 /nfs/dbraw/zinc/61/26/29/426612629.db2.gz QIVSPHJPWVURCG-NKWVEPMBSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000265286984 426612633 /nfs/dbraw/zinc/61/26/33/426612633.db2.gz QIVSPHJPWVURCG-NKWVEPMBSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1nc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)n[n-]1 ZINC000265286984 426612635 /nfs/dbraw/zinc/61/26/35/426612635.db2.gz QIVSPHJPWVURCG-NKWVEPMBSA-N -1 3 310.329 2.547 20 0 DFADHM Cc1csc(C2(NC(=O)c3ccc4n[n-]nc4c3)CCC2)n1 ZINC000265304536 426616119 /nfs/dbraw/zinc/61/61/19/426616119.db2.gz NGTFJBOIVBNBLF-UHFFFAOYSA-N -1 3 313.386 2.532 20 0 DFADHM CC(C)(CO)[C@H](CNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000272550254 426556051 /nfs/dbraw/zinc/55/60/51/426556051.db2.gz ASKSBZCKNQBEJC-QGZVFWFLSA-N -1 3 313.397 2.924 20 0 DFADHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)[C@H](C)CO ZINC000186590271 426559092 /nfs/dbraw/zinc/55/90/92/426559092.db2.gz ZHSKRCIGCDDBGI-HTQZYQBOSA-N -1 3 313.810 2.538 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)c1F ZINC000273268274 426631724 /nfs/dbraw/zinc/63/17/24/426631724.db2.gz WPXSMWLXEATOKZ-OLZOCXBDSA-N -1 3 315.410 2.616 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@](C)(O)CC3)c[n-]c12 ZINC000280692299 426635370 /nfs/dbraw/zinc/63/53/70/426635370.db2.gz WFTKLWODBIMFKI-GOSISDBHSA-N -1 3 314.385 2.626 20 0 DFADHM C[C@H](CCC(C)(C)C)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000273328031 426645307 /nfs/dbraw/zinc/64/53/07/426645307.db2.gz MSSABCGAHKCJOA-CYBMUJFWSA-N -1 3 320.433 2.701 20 0 DFADHM Cc1ccc([O-])c(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000289391893 426646546 /nfs/dbraw/zinc/64/65/46/426646546.db2.gz 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CSc1nnc(NC(=O)CCc2c[nH]c3c2cccc3C)[n-]1 ZINC000265918394 426710712 /nfs/dbraw/zinc/71/07/12/426710712.db2.gz BENDPKRHBIKEDA-UHFFFAOYSA-N -1 3 315.402 2.888 20 0 DFADHM CSc1n[n-]c(NC(=O)CCc2c[nH]c3c2cccc3C)n1 ZINC000265918394 426710717 /nfs/dbraw/zinc/71/07/17/426710717.db2.gz BENDPKRHBIKEDA-UHFFFAOYSA-N -1 3 315.402 2.888 20 0 DFADHM CSc1nc(NC(=O)CCc2c[nH]c3c2cccc3C)n[n-]1 ZINC000265918394 426710718 /nfs/dbraw/zinc/71/07/18/426710718.db2.gz BENDPKRHBIKEDA-UHFFFAOYSA-N -1 3 315.402 2.888 20 0 DFADHM O=C([O-])[C@@H]1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000178899757 426716148 /nfs/dbraw/zinc/71/61/48/426716148.db2.gz CBDDWGHVNBKAJO-LLVKDONJSA-N -1 3 306.749 2.902 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)sc1Cl ZINC000188047973 426718063 /nfs/dbraw/zinc/71/80/63/426718063.db2.gz JALWPFDNOKKKDR-ZJUUUORDSA-N -1 3 323.867 2.539 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCS2)sc1Cl ZINC000188096987 426721554 /nfs/dbraw/zinc/72/15/54/426721554.db2.gz UTPKDKDTOBVIJF-QMMMGPOBSA-N -1 3 311.881 2.884 20 0 DFADHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000273598583 426693552 /nfs/dbraw/zinc/69/35/52/426693552.db2.gz RHGNMFQUQCRBFG-VIFPVBQESA-N -1 3 323.817 2.555 20 0 DFADHM Cc1cc(F)cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1 ZINC000281797053 426766615 /nfs/dbraw/zinc/76/66/15/426766615.db2.gz VENVPZPSGKBAFE-SNVBAGLBSA-N -1 3 307.337 2.848 20 0 DFADHM CC(C)(C)CCS(=O)(=O)[N-]c1cnn(Cc2ccncc2)c1 ZINC000290463296 426771195 /nfs/dbraw/zinc/77/11/95/426771195.db2.gz DROXHHJNDNVALN-UHFFFAOYSA-N -1 3 322.434 2.504 20 0 DFADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccncc1)c1ccco1 ZINC000188636192 426772566 /nfs/dbraw/zinc/77/25/66/426772566.db2.gz ZBAADVWIRYBOBN-MRXNPFEDSA-N -1 3 314.366 2.743 20 0 DFADHM [O-]c1cc(F)cc(CNCc2ccnc(N3CCCC3)c2)c1 ZINC000274468283 426774045 /nfs/dbraw/zinc/77/40/45/426774045.db2.gz VABXMIXJPRUNBR-UHFFFAOYSA-N -1 3 301.365 2.816 20 0 DFADHM Cc1nc(-c2ccc([N-]S(=O)(=O)CCC(C)(C)C)cc2)n[nH]1 ZINC000290483360 426775199 /nfs/dbraw/zinc/77/51/99/426775199.db2.gz 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/nfs/dbraw/zinc/78/46/67/426784667.db2.gz DTNHOBHKZAPOKR-UHFFFAOYSA-N -1 3 318.720 2.979 20 0 DFADHM CC(C)N(Cc1ccccc1)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179411807 426786424 /nfs/dbraw/zinc/78/64/24/426786424.db2.gz SAPRXEBVBVOIRQ-UHFFFAOYSA-N -1 3 324.384 2.725 20 0 DFADHM O=S(=O)([N-]CC1(c2ccc(F)cc2F)CC1)c1ccco1 ZINC000188794815 426787723 /nfs/dbraw/zinc/78/77/23/426787723.db2.gz GEUGQSIHXULJGD-UHFFFAOYSA-N -1 3 313.325 2.568 20 0 DFADHM CCC(CC)CN(CC)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179430072 426788054 /nfs/dbraw/zinc/78/80/54/426788054.db2.gz RUCHLZURSATYNZ-UHFFFAOYSA-N -1 3 304.394 2.572 20 0 DFADHM CC(=O)Nc1ccc(C)c(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000274231005 426726893 /nfs/dbraw/zinc/72/68/93/426726893.db2.gz SBJSLEJSVJRHJN-CQSZACIVSA-N -1 3 307.350 2.533 20 0 DFADHM CC(=O)Nc1ccc(C)c(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000274231005 426726896 /nfs/dbraw/zinc/72/68/96/426726896.db2.gz SBJSLEJSVJRHJN-CQSZACIVSA-N -1 3 307.350 2.533 20 0 DFADHM [O-]c1cc(F)cc(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 ZINC000281640118 426736210 /nfs/dbraw/zinc/73/62/10/426736210.db2.gz ANMQGMBZHNPMPQ-DLBZAZTESA-N -1 3 305.324 2.978 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000281661549 426738668 /nfs/dbraw/zinc/73/86/68/426738668.db2.gz NNCVGARUWZGNIZ-DTWKUNHWSA-N -1 3 324.229 2.697 20 0 DFADHM C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccccc1[O-] ZINC000290325560 426742692 /nfs/dbraw/zinc/74/26/92/426742692.db2.gz DRPFUDHJDHYPHV-WCQYABFASA-N -1 3 320.389 2.520 20 0 DFADHM CSc1nsc([N-]C(=O)c2cccnc2C(F)(F)F)n1 ZINC000188346790 426745284 /nfs/dbraw/zinc/74/52/84/426745284.db2.gz GLWLKOUUQAMEBN-UHFFFAOYSA-N -1 3 320.321 2.926 20 0 DFADHM CCc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c([O-])c1 ZINC000188398325 426748859 /nfs/dbraw/zinc/74/88/59/426748859.db2.gz HFUHSVQEZPWQAM-UHFFFAOYSA-N -1 3 324.424 2.913 20 0 DFADHM CCCOc1cccc(CC[N-]S(=O)(=O)c2ccco2)c1 ZINC000188776275 426788999 /nfs/dbraw/zinc/78/89/99/426788999.db2.gz 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Oc1[n-]c(N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)nc2nncc1-2 ZINC000282310660 426878113 /nfs/dbraw/zinc/87/81/13/426878113.db2.gz SJPLMYHBPJJFSA-BTTYYORXSA-N -1 3 321.384 2.974 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(COCC2CC2)c1 ZINC000189532485 426882091 /nfs/dbraw/zinc/88/20/91/426882091.db2.gz LGRXWMHKCFMGEQ-OAHLLOKOSA-N -1 3 320.389 2.703 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N(CCC(F)(F)F)CC1CC1 ZINC000267769436 426885342 /nfs/dbraw/zinc/88/53/42/426885342.db2.gz UZRAPPXZKKAIIT-UHFFFAOYSA-N -1 3 303.280 2.902 20 0 DFADHM CCc1ccc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c([O-])c1 ZINC000291459864 426886379 /nfs/dbraw/zinc/88/63/79/426886379.db2.gz DCLLBYRKHYUFDX-CYBMUJFWSA-N -1 3 319.792 2.892 20 0 DFADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccc(F)cc1C(F)(F)F ZINC000189558027 426889365 /nfs/dbraw/zinc/88/93/65/426889365.db2.gz CVRHWMFNAYDYQO-QMMMGPOBSA-N -1 3 322.258 2.934 20 0 DFADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(F)cc1C(F)(F)F ZINC000189558027 426889373 /nfs/dbraw/zinc/88/93/73/426889373.db2.gz CVRHWMFNAYDYQO-QMMMGPOBSA-N -1 3 322.258 2.934 20 0 DFADHM C[C@@H]1CCN(C(=O)c2ncn(C(C)(C)C)n2)c2c([O-])cccc21 ZINC000291479316 426893648 /nfs/dbraw/zinc/89/36/48/426893648.db2.gz AAAGWLPCDFBPCA-LLVKDONJSA-N -1 3 314.389 2.893 20 0 DFADHM Cn1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])ccc1=O ZINC000337654272 426902738 /nfs/dbraw/zinc/90/27/38/426902738.db2.gz MCZCBWDDJSURQP-UHFFFAOYSA-N -1 3 300.358 2.641 20 0 DFADHM COc1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)ccc1[O-] ZINC000268060270 426903667 /nfs/dbraw/zinc/90/36/67/426903667.db2.gz DALRWCYOODZBHA-QGZVFWFLSA-N -1 3 313.353 2.615 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCN([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000314179960 426926139 /nfs/dbraw/zinc/92/61/39/426926139.db2.gz LBRAVYQRJUSUFG-ZUZCIYMTSA-N -1 3 315.772 2.963 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2cccc3ncnn32)c([O-])c1 ZINC000337661651 426908712 /nfs/dbraw/zinc/90/87/12/426908712.db2.gz QSRWJJOOQXHHMG-UHFFFAOYSA-N -1 3 310.357 2.985 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)c2ccc([O-])c(OC)c2)C12CCCC2 ZINC000268091206 426911237 /nfs/dbraw/zinc/91/12/37/426911237.db2.gz TYRVHHMXYIXSJW-HOTGVXAUSA-N -1 3 319.401 2.868 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(OC)c2)C12CCCC2 ZINC000268091209 426911526 /nfs/dbraw/zinc/91/15/26/426911526.db2.gz TYRVHHMXYIXSJW-HZPDHXFCSA-N -1 3 319.401 2.868 20 0 DFADHM CCCC(CCC)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291554395 426912477 /nfs/dbraw/zinc/91/24/77/426912477.db2.gz NCYMCHCNCQCSFT-UHFFFAOYSA-N -1 3 319.405 2.738 20 0 DFADHM C[C@@H](c1ccc(F)c(F)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000295417495 426949639 /nfs/dbraw/zinc/94/96/39/426949639.db2.gz TYWNPNGNDRJJRB-VIFPVBQESA-N -1 3 309.316 2.582 20 0 DFADHM CO[C@@](C)(C[N-]S(=O)(=O)Cc1ccccc1Cl)C1CC1 ZINC000291685752 426952518 /nfs/dbraw/zinc/95/25/18/426952518.db2.gz LYTAVBGJXHLVEW-AWEZNQCLSA-N -1 3 317.838 2.575 20 0 DFADHM CS[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000291700001 426956156 /nfs/dbraw/zinc/95/61/56/426956156.db2.gz NNRZOWPSACUUKP-LURJTMIESA-N -1 3 319.395 2.797 20 0 DFADHM CCn1nc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])c2ccccc21 ZINC000319063704 426962348 /nfs/dbraw/zinc/96/23/48/426962348.db2.gz MCLARDHWESLQOD-LRDDRELGSA-N -1 3 301.390 2.741 20 0 DFADHM CCc1cc(C(=O)N[C@@H](C)C(=O)OC2CCCC2)ccc1[O-] ZINC000291731341 426966741 /nfs/dbraw/zinc/96/67/41/426966741.db2.gz CEGJIYLPMMVQDW-NSHDSACASA-N -1 3 305.374 2.559 20 0 DFADHM CSc1nc(C)c(CCC(=O)[N-]OC/C=C/Cl)c(C)n1 ZINC000291731898 426968043 /nfs/dbraw/zinc/96/80/43/426968043.db2.gz FRRKZDMDZVGELQ-QPJJXVBHSA-N -1 3 315.826 2.548 20 0 DFADHM [O-]c1ccc(F)c(CN2CCC(Cn3cccn3)CC2)c1F ZINC000295472187 426971880 /nfs/dbraw/zinc/97/18/80/426971880.db2.gz WQHDBLOSIXTZQS-UHFFFAOYSA-N -1 3 307.344 2.779 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@H](SC)C1)c2=O ZINC000295470494 426972285 /nfs/dbraw/zinc/97/22/85/426972285.db2.gz CDWRBLBTIUPJMU-NSHDSACASA-N -1 3 318.398 2.527 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@@H](SC)C1)c2=O ZINC000295470493 426973536 /nfs/dbraw/zinc/97/35/36/426973536.db2.gz CDWRBLBTIUPJMU-LLVKDONJSA-N 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/nfs/dbraw/zinc/07/63/94/271076394.db2.gz HFNTYKCRSKRLLC-SCZZXKLOSA-N -1 3 312.772 2.540 20 0 DFADHM CCCCn1ncc(C(=O)NCc2ccc([O-])c(F)c2)c1C ZINC000158759462 271078646 /nfs/dbraw/zinc/07/86/46/271078646.db2.gz DAZCZYBNMYPANT-UHFFFAOYSA-N -1 3 305.353 2.766 20 0 DFADHM Cc1cccc(C(=O)NCc2cc(F)cc3c2OCOC3)c1[O-] ZINC000170662339 271100111 /nfs/dbraw/zinc/10/01/11/271100111.db2.gz GMDMVQLOUOUTLT-UHFFFAOYSA-N -1 3 317.316 2.636 20 0 DFADHM CCC[C@H](CC)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000170829110 271101325 /nfs/dbraw/zinc/10/13/25/271101325.db2.gz DIVMXCSHLFKAFL-ZDUSSCGKSA-N -1 3 306.406 2.515 20 0 DFADHM CCN1CCN(C(=O)c2cc(OC)ccc2[O-])c2ccccc21 ZINC000171892951 271106935 /nfs/dbraw/zinc/10/69/35/271106935.db2.gz NRSBZMXJJUUBHV-UHFFFAOYSA-N -1 3 312.369 2.888 20 0 DFADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000174073726 271125173 /nfs/dbraw/zinc/12/51/73/271125173.db2.gz DWQJMXUDFVGZEN-NSHDSACASA-N -1 3 305.440 2.944 20 0 DFADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(-n2cccn2)c1 ZINC000174086607 271125511 /nfs/dbraw/zinc/12/55/11/271125511.db2.gz NJRLLAKPRCLXPB-GFCCVEGCSA-N -1 3 323.352 2.775 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc2c1CCC2 ZINC000175474531 271153450 /nfs/dbraw/zinc/15/34/50/271153450.db2.gz ASFMDBKANMFIGN-UHFFFAOYSA-N -1 3 305.341 2.608 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc2c1CCC2 ZINC000175474531 271153453 /nfs/dbraw/zinc/15/34/53/271153453.db2.gz ASFMDBKANMFIGN-UHFFFAOYSA-N -1 3 305.341 2.608 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc2c1CCC2 ZINC000175474531 271153455 /nfs/dbraw/zinc/15/34/55/271153455.db2.gz ASFMDBKANMFIGN-UHFFFAOYSA-N -1 3 305.341 2.608 20 0 DFADHM CN(CCNC(=O)c1cc(F)c([O-])c(F)c1)Cc1ccccc1 ZINC000177101941 271174753 /nfs/dbraw/zinc/17/47/53/271174753.db2.gz CJDMVUIGBXHMGI-UHFFFAOYSA-N -1 3 320.339 2.532 20 0 DFADHM CO[C@@H](C)C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000190752690 271219842 /nfs/dbraw/zinc/21/98/42/271219842.db2.gz SQJMEEIKRDWURE-QMMMGPOBSA-N -1 3 319.835 2.868 20 0 DFADHM C[S@@](=O)c1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000182932276 427169894 /nfs/dbraw/zinc/16/98/94/427169894.db2.gz OXULWBPVCIWHCC-JOCHJYFZSA-N -1 3 315.394 2.723 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCO[C@@H]2CC)c([O-])c1 ZINC000277342649 427169916 /nfs/dbraw/zinc/16/99/16/427169916.db2.gz NDTOZQURGQSVEY-IUODEOHRSA-N -1 3 321.373 2.713 20 0 DFADHM Cc1ccc([O-])c(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)n1 ZINC000270177748 271290287 /nfs/dbraw/zinc/29/02/87/271290287.db2.gz WLNFVQBGGPPTGJ-LAJNKCICSA-N -1 3 304.415 2.684 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCc2c(O)cccc21 ZINC000190725330 427170386 /nfs/dbraw/zinc/17/03/86/427170386.db2.gz QLFXTFPHSIFDBZ-AWEZNQCLSA-N -1 3 315.344 2.973 20 0 DFADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(C2CC2)n1 ZINC000293941624 271349800 /nfs/dbraw/zinc/34/98/00/271349800.db2.gz PFYWJYTYVACVGL-UHFFFAOYSA-N -1 3 316.386 2.737 20 0 DFADHM COc1cccc(C(=O)NC[C@H](C)Oc2ccccc2C)c1[O-] ZINC000303927105 271366786 /nfs/dbraw/zinc/36/67/86/271366786.db2.gz ABESEHJSJKYOJW-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c(=O)[n-]1 ZINC000253558906 427215902 /nfs/dbraw/zinc/21/59/02/427215902.db2.gz IEPVMURJFDQSOC-SGIREYDYSA-N -1 3 317.433 2.769 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CC3(CCCC3)OC(C)(C)C2)on1 ZINC000190972120 427218845 /nfs/dbraw/zinc/21/88/45/427218845.db2.gz LEBBPMAXKXOJKZ-ZDUSSCGKSA-N -1 3 321.421 2.734 20 0 DFADHM Cc1ccc([O-])c(-c2nc(C3(S(C)(=O)=O)CCCC3)no2)c1 ZINC000296429411 427177058 /nfs/dbraw/zinc/17/70/58/427177058.db2.gz LXWMRUFGABUWPS-UHFFFAOYSA-N -1 3 322.386 2.565 20 0 DFADHM CCN(C(=O)c1cc(F)cc2[n-]nnc21)[C@H](C)c1cccnc1 ZINC000277359978 427178671 /nfs/dbraw/zinc/17/86/71/427178671.db2.gz FTAQYLWHCDOQAG-SNVBAGLBSA-N -1 3 313.336 2.715 20 0 DFADHM CCN(C(=O)c1cc(F)cc2nn[n-]c21)[C@H](C)c1cccnc1 ZINC000277359978 427178675 /nfs/dbraw/zinc/17/86/75/427178675.db2.gz FTAQYLWHCDOQAG-SNVBAGLBSA-N -1 3 313.336 2.715 20 0 DFADHM CCN(C(=O)c1cc(F)cc2n[n-]nc21)[C@H](C)c1cccnc1 ZINC000277359978 427178684 /nfs/dbraw/zinc/17/86/84/427178684.db2.gz FTAQYLWHCDOQAG-SNVBAGLBSA-N -1 3 313.336 2.715 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)n1 ZINC000338190173 427183638 /nfs/dbraw/zinc/18/36/38/427183638.db2.gz GQZWZWTVQFBUMQ-WGIXJMRHSA-N -1 3 319.449 2.813 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1ccc(OCC(F)F)nc1 ZINC000183029242 427184936 /nfs/dbraw/zinc/18/49/36/427184936.db2.gz IIPNPIPFABNVNV-UHFFFAOYSA-N -1 3 308.284 2.992 20 0 DFADHM CCOc1cc2c(cc1NC([O-])=NOCC1CC1)O[C@@H](C)C2 ZINC000292499313 427185387 /nfs/dbraw/zinc/18/53/87/427185387.db2.gz AZIUBFCTZZNXDI-JTQLQIEISA-N -1 3 306.362 2.872 20 0 DFADHM CCOc1cc2c(cc1NC(=O)[N-]OCC1CC1)O[C@@H](C)C2 ZINC000292499313 427185394 /nfs/dbraw/zinc/18/53/94/427185394.db2.gz AZIUBFCTZZNXDI-JTQLQIEISA-N -1 3 306.362 2.872 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000183037204 427187621 /nfs/dbraw/zinc/18/76/21/427187621.db2.gz TZXGPGNCKMSVRF-AWEZNQCLSA-N -1 3 318.352 2.691 20 0 DFADHM O=S(=O)([N-][C@H]1CC[C@H](O)CC1)c1cccc(Cl)c1Cl ZINC000252704426 427193349 /nfs/dbraw/zinc/19/33/49/427193349.db2.gz NCSDGJZFMNULGS-KYZUINATSA-N -1 3 324.229 2.575 20 0 DFADHM Cc1ccn(C)c(=O)c1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183073708 427194032 /nfs/dbraw/zinc/19/40/32/427194032.db2.gz GVOZGSXKUQLHHD-UHFFFAOYSA-N -1 3 312.369 2.530 20 0 DFADHM CC1CCN(c2ccc(NC([O-])=NOC(C)(C)CO)cc2)CC1 ZINC000296495832 427199731 /nfs/dbraw/zinc/19/97/31/427199731.db2.gz YLESDGICLUEPDV-UHFFFAOYSA-N -1 3 321.421 2.747 20 0 DFADHM CC1CCN(c2ccc(NC(=O)[N-]OC(C)(C)CO)cc2)CC1 ZINC000296495832 427199738 /nfs/dbraw/zinc/19/97/38/427199738.db2.gz YLESDGICLUEPDV-UHFFFAOYSA-N -1 3 321.421 2.747 20 0 DFADHM COC1(CC[N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000292927244 427208132 /nfs/dbraw/zinc/20/81/32/427208132.db2.gz YQWZARYHKMGXLH-UHFFFAOYSA-N -1 3 309.840 2.639 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000296521846 427210043 /nfs/dbraw/zinc/21/00/43/427210043.db2.gz VUAROTVRWAGHBI-GFCCVEGCSA-N -1 3 306.753 2.531 20 0 DFADHM Cc1cccc(CCCSc2nc3n[nH]cc3c(=O)[n-]2)c1 ZINC000183143556 427210885 /nfs/dbraw/zinc/21/08/85/427210885.db2.gz UVBLXKCDPBGQHP-UHFFFAOYSA-N -1 3 300.387 2.680 20 0 DFADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000330257579 427211498 /nfs/dbraw/zinc/21/14/98/427211498.db2.gz LQRDRRWKVTUJET-AGKHESDQSA-N -1 3 315.373 2.656 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](CO)CC1CCCC1 ZINC000338251263 427211934 /nfs/dbraw/zinc/21/19/34/427211934.db2.gz QZFBGOJZAGGFGL-HNNXBMFYSA-N -1 3 323.408 2.911 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000183507571 427285537 /nfs/dbraw/zinc/28/55/37/427285537.db2.gz UXTYHCRLXKGSRU-UWVGGRQHSA-N -1 3 316.398 2.818 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC=C(c3ccco3)C2)on1 ZINC000285424649 427227763 /nfs/dbraw/zinc/22/77/63/427227763.db2.gz WAUMLKGZPWMIEJ-LBPRGKRZSA-N -1 3 301.346 2.692 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N(CCC(F)(F)F)CC1CC1 ZINC000254948723 427228473 /nfs/dbraw/zinc/22/84/73/427228473.db2.gz CPYQRNNSRBJODE-ARJAWSKDSA-N -1 3 314.307 2.991 20 0 DFADHM CCOc1cc(O)ccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000191012520 427230310 /nfs/dbraw/zinc/23/03/10/427230310.db2.gz BADBFANJFPFZBB-ZZXKWVIFSA-N -1 3 300.314 2.543 20 0 DFADHM O=C(/C=C\c1ccccc1OC(F)F)[N-]OCc1cccnc1 ZINC000254986750 427230393 /nfs/dbraw/zinc/23/03/93/427230393.db2.gz IOQIHZYNPBQFDP-FPLPWBNLSA-N -1 3 320.295 2.944 20 0 DFADHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000183253077 427231971 /nfs/dbraw/zinc/23/19/71/427231971.db2.gz IFSGSUJIOHNDMR-NEPJUHHUSA-N -1 3 322.380 2.755 20 0 DFADHM CC(C)CO[N-]C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000269634353 427234383 /nfs/dbraw/zinc/23/43/83/427234383.db2.gz AMQYPOMKESHJKI-CQSZACIVSA-N -1 3 321.377 2.513 20 0 DFADHM CC(C)CO[N-]C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000269634352 427235236 /nfs/dbraw/zinc/23/52/36/427235236.db2.gz AMQYPOMKESHJKI-AWEZNQCLSA-N -1 3 321.377 2.513 20 0 DFADHM CCCCc1cc(NC(=O)c2c[n-]nc2-c2ccncc2)n[nH]1 ZINC000269628669 427235652 /nfs/dbraw/zinc/23/56/52/427235652.db2.gz PMRBALONZUAHGY-UHFFFAOYSA-N -1 3 310.361 2.790 20 0 DFADHM CCCCc1cc(NC(=O)c2cn[n-]c2-c2ccncc2)n[nH]1 ZINC000269628669 427235657 /nfs/dbraw/zinc/23/56/57/427235657.db2.gz PMRBALONZUAHGY-UHFFFAOYSA-N -1 3 310.361 2.790 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000255045111 427236272 /nfs/dbraw/zinc/23/62/72/427236272.db2.gz ZJDBKOYHVGPGJJ-TUYSUELWSA-N -1 3 308.381 2.892 20 0 DFADHM Cc1ccc(OCCCNC(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000255683263 427286257 /nfs/dbraw/zinc/28/62/57/427286257.db2.gz ZDLCNMNGHUCDTH-YVMONPNESA-N -1 3 312.369 2.694 20 0 DFADHM CN(C)[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000183306052 427241659 /nfs/dbraw/zinc/24/16/59/427241659.db2.gz YYXPPPQHEZCNPU-OAHLLOKOSA-N -1 3 320.339 2.703 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000183311842 427246089 /nfs/dbraw/zinc/24/60/89/427246089.db2.gz WKWWKVVJUXUWQM-CYBMUJFWSA-N -1 3 315.410 2.759 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CC=C(C(F)(F)F)CC2)on1 ZINC000330465288 427246441 /nfs/dbraw/zinc/24/64/41/427246441.db2.gz FYSJZRFHNVCRMG-VIFPVBQESA-N -1 3 303.284 2.504 20 0 DFADHM CC[C@H](C)[C@@H](NCc1ccc([O-])c2nc(C)ccc12)C(=O)OC ZINC000338297440 427246510 /nfs/dbraw/zinc/24/65/10/427246510.db2.gz RMSBEWSGHNZSRI-MEDUHNTESA-N -1 3 316.401 2.926 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cn2)s1 ZINC000285481847 427246866 /nfs/dbraw/zinc/24/68/66/427246866.db2.gz CTRJEKNVIHEYIU-SSDOTTSWSA-N -1 3 317.823 2.539 20 0 DFADHM CCc1cc2c(CN(C)C[C@@H](C)OC)cc(=O)oc2cc1[O-] ZINC000285490972 427250487 /nfs/dbraw/zinc/25/04/87/427250487.db2.gz CINNCZQXDYRDFD-LLVKDONJSA-N -1 3 305.374 2.528 20 0 DFADHM C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1cc(F)ccc1[O-] ZINC000330485770 427251017 /nfs/dbraw/zinc/25/10/17/427251017.db2.gz BHTWHKIKWVRDAR-SNVBAGLBSA-N -1 3 308.353 2.555 20 0 DFADHM COCC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(C)(C)C ZINC000338310473 427251293 /nfs/dbraw/zinc/25/12/93/427251293.db2.gz AJJOCXNBYBFYJA-MRXNPFEDSA-N -1 3 316.401 2.709 20 0 DFADHM Cn1nccc1[C@@H]1OCC[C@H]1CNCc1cccc([O-])c1Cl ZINC000293257128 427263273 /nfs/dbraw/zinc/26/32/73/427263273.db2.gz MMEGFUAQVMKFOQ-BLLLJJGKSA-N -1 3 321.808 2.647 20 0 DFADHM CCc1nc([N-]C(=O)c2cc(C3CC3)on2)sc1C(=O)OC ZINC000269740968 427266512 /nfs/dbraw/zinc/26/65/12/427266512.db2.gz NGRQNQZNFZCMJM-UHFFFAOYSA-N -1 3 321.358 2.610 20 0 DFADHM CC(C)CO[N-]C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 ZINC000269733513 427267461 /nfs/dbraw/zinc/26/74/61/427267461.db2.gz YDZLDYINKMNYAG-CQSZACIVSA-N -1 3 321.421 2.789 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000296897777 427269782 /nfs/dbraw/zinc/26/97/82/427269782.db2.gz RSQQTJRKPBYOBA-LLVKDONJSA-N -1 3 303.366 2.581 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(CF)CC1 ZINC000296903070 427271912 /nfs/dbraw/zinc/27/19/12/427271912.db2.gz MANSOTVVJZNNHP-UHFFFAOYSA-N -1 3 309.385 2.610 20 0 DFADHM Cc1nnc([N-]C(=O)c2cc(-c3ccccc3)no2)n1C1CC1 ZINC000285564116 427273501 /nfs/dbraw/zinc/27/35/01/427273501.db2.gz ZDXYKVJHKGWUFH-UHFFFAOYSA-N -1 3 309.329 2.829 20 0 DFADHM C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183477038 427274506 /nfs/dbraw/zinc/27/45/06/427274506.db2.gz AZSXAHJLKHQCRM-JSGCOSHPSA-N -1 3 303.402 2.647 20 0 DFADHM COc1ccccc1/C=C\C(=O)NCc1ccc([O-])c(F)c1 ZINC000255543525 427276538 /nfs/dbraw/zinc/27/65/38/427276538.db2.gz IFCRNCQUXPFBTE-CLFYSBASSA-N -1 3 301.317 2.870 20 0 DFADHM CCn1nc(C)c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n1 ZINC000293299896 427280326 /nfs/dbraw/zinc/28/03/26/427280326.db2.gz HNGNHHWHTMRGGT-UHFFFAOYSA-N -1 3 302.378 2.862 20 0 DFADHM Cc1nc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c(C)s1 ZINC000269798419 427280528 /nfs/dbraw/zinc/28/05/28/427280528.db2.gz IQMDDYOECKQGDL-UHFFFAOYSA-N -1 3 322.337 2.969 20 0 DFADHM Cc1ccc(C[C@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)s1 ZINC000277727980 427300840 /nfs/dbraw/zinc/30/08/40/427300840.db2.gz PZTIQHBTEYGBAQ-QMMMGPOBSA-N -1 3 318.377 2.828 20 0 DFADHM Cc1ccc(C[C@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)s1 ZINC000277727980 427300844 /nfs/dbraw/zinc/30/08/44/427300844.db2.gz PZTIQHBTEYGBAQ-QMMMGPOBSA-N -1 3 318.377 2.828 20 0 DFADHM Cc1ccc(C[C@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)s1 ZINC000277727980 427300850 /nfs/dbraw/zinc/30/08/50/427300850.db2.gz PZTIQHBTEYGBAQ-QMMMGPOBSA-N -1 3 318.377 2.828 20 0 DFADHM CC[C@@H](C)CCC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000285664475 427305265 /nfs/dbraw/zinc/30/52/65/427305265.db2.gz YXJSROKCYSZGRJ-SNVBAGLBSA-N -1 3 316.398 2.962 20 0 DFADHM Cn1cnc2cc(C(=O)Nc3cc(Cl)ccc3[O-])cnc21 ZINC000183642515 427306552 /nfs/dbraw/zinc/30/65/52/427306552.db2.gz QMTOHOHREUSNNB-UHFFFAOYSA-N -1 3 302.721 2.580 20 0 DFADHM COC(=O)c1ccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)[n-]1 ZINC000293379487 427306946 /nfs/dbraw/zinc/30/69/46/427306946.db2.gz DAZVTQGYCGMEKM-SNVBAGLBSA-N -1 3 324.336 2.522 20 0 DFADHM CS[C@H]1CCC[C@@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000277758464 427307279 /nfs/dbraw/zinc/30/72/79/427307279.db2.gz SAQMURUWNNLATR-ZJUUUORDSA-N -1 3 308.382 2.501 20 0 DFADHM CS[C@H]1CCC[C@@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000277758464 427307284 /nfs/dbraw/zinc/30/72/84/427307284.db2.gz SAQMURUWNNLATR-ZJUUUORDSA-N -1 3 308.382 2.501 20 0 DFADHM CS[C@H]1CCC[C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000277758464 427307292 /nfs/dbraw/zinc/30/72/92/427307292.db2.gz SAQMURUWNNLATR-ZJUUUORDSA-N -1 3 308.382 2.501 20 0 DFADHM Cc1ccc(NCCCNC(=O)c2cc([O-])ccc2Cl)nc1 ZINC000277754193 427308184 /nfs/dbraw/zinc/30/81/84/427308184.db2.gz RVEXGQNDSNCHOZ-UHFFFAOYSA-N -1 3 319.792 2.981 20 0 DFADHM CCc1nnc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)[nH]1 ZINC000338416062 427311341 /nfs/dbraw/zinc/31/13/41/427311341.db2.gz OIYDGXYPFKIPPX-UHFFFAOYSA-N -1 3 317.736 2.527 20 0 DFADHM CCc1nc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)n[nH]1 ZINC000338416062 427311344 /nfs/dbraw/zinc/31/13/44/427311344.db2.gz OIYDGXYPFKIPPX-UHFFFAOYSA-N -1 3 317.736 2.527 20 0 DFADHM 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3.321 20 0 DFADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2sc(C)nc2C)cc1 ZINC000360260523 428226463 /nfs/dbraw/zinc/22/64/63/428226463.db2.gz HHBZCUCUNKFUMU-UHFFFAOYSA-N -1 3 322.455 2.924 20 0 DFADHM CCCCCS(=O)(=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000414226213 428238287 /nfs/dbraw/zinc/23/82/87/428238287.db2.gz UCJZWZJHBINIBC-UHFFFAOYSA-N -1 3 320.414 2.954 20 0 DFADHM Cc1cccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1F ZINC000360301189 428239824 /nfs/dbraw/zinc/23/98/24/428239824.db2.gz QYVDDNHSCMSVRZ-UHFFFAOYSA-N -1 3 317.246 2.593 20 0 DFADHM Cc1cccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1F ZINC000360301189 428239829 /nfs/dbraw/zinc/23/98/29/428239829.db2.gz QYVDDNHSCMSVRZ-UHFFFAOYSA-N -1 3 317.246 2.593 20 0 DFADHM Cc1cccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1F ZINC000360301189 428239836 /nfs/dbraw/zinc/23/98/36/428239836.db2.gz QYVDDNHSCMSVRZ-UHFFFAOYSA-N -1 3 317.246 2.593 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2ccccc2-n2nccc2C)[n-]1 ZINC000346487840 428190881 /nfs/dbraw/zinc/19/08/81/428190881.db2.gz WCHZTYCLKWAMIU-UHFFFAOYSA-N -1 3 324.340 2.548 20 0 DFADHM CCc1nc(C(=O)[N-]c2cc(C(=O)OC)c(F)cc2F)co1 ZINC000346498297 428197163 /nfs/dbraw/zinc/19/71/63/428197163.db2.gz XWMLQCPWANOVTG-UHFFFAOYSA-N -1 3 310.256 2.554 20 0 DFADHM COCC(C)(C)CCCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000356488306 428201469 /nfs/dbraw/zinc/20/14/69/428201469.db2.gz WEBPQIOBCVSNEY-UHFFFAOYSA-N -1 3 316.405 2.654 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C)C2)c(F)c1 ZINC000360351445 428263511 /nfs/dbraw/zinc/26/35/11/428263511.db2.gz HIJKWJFQAPCJHC-WDEREUQCSA-N -1 3 301.383 2.549 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)c1ccco1)c1cccc(Cl)c1 ZINC000341966120 428264696 /nfs/dbraw/zinc/26/46/96/428264696.db2.gz YAOVFUUICXORDO-GFCCVEGCSA-N -1 3 315.778 2.599 20 0 DFADHM C[C@H](C[N-]S(=O)(=O)c1ccccc1Cl)C(F)(F)F ZINC000356685473 428272867 /nfs/dbraw/zinc/27/28/67/428272867.db2.gz WMYPRANZIHOHAQ-SSDOTTSWSA-N -1 3 301.717 2.817 20 0 DFADHM COc1cc([N-]S(=O)(=O)CC(C)(C)OC)ccc1Cl ZINC000414384520 428279525 /nfs/dbraw/zinc/27/95/25/428279525.db2.gz SRINQGDGYWJIEB-UHFFFAOYSA-N -1 3 307.799 2.515 20 0 DFADHM CCn1cc(S(=O)(=O)[N-]Cc2cccc(C(C)C)c2)nc1C ZINC000356712200 428279739 /nfs/dbraw/zinc/27/97/39/428279739.db2.gz MEFVGXUANBSBFL-UHFFFAOYSA-N -1 3 321.446 2.813 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2c(c1)SCC(=O)N2 ZINC000377998135 428283078 /nfs/dbraw/zinc/28/30/78/428283078.db2.gz ZSSRJGAMIQBRJB-UHFFFAOYSA-N -1 3 318.329 2.828 20 0 DFADHM Cc1ccc(C)c(CSc2nc3c(cnn3C)c(=O)[n-]2)c1 ZINC000356736192 428288273 /nfs/dbraw/zinc/28/82/73/428288273.db2.gz OHCBYNUEDSTNFO-UHFFFAOYSA-N -1 3 300.387 2.978 20 0 DFADHM CC[C@H](C)CS(=O)(=O)[N-][C@H]1COc2cccc(Cl)c21 ZINC000341898105 428243460 /nfs/dbraw/zinc/24/34/60/428243460.db2.gz MWFKSEPPWWVKHW-ONGXEEELSA-N -1 3 303.811 2.739 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@H](O)Cc2ccccc2)c1[O-] ZINC000356585738 428243846 /nfs/dbraw/zinc/24/38/46/428243846.db2.gz YOZFPMYBMNDDFF-CQSZACIVSA-N -1 3 305.761 2.896 20 0 DFADHM CN(C(=O)c1cccc([O-])c1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000352787489 428247615 /nfs/dbraw/zinc/24/76/15/428247615.db2.gz FHYYJPWFUAFCQW-MRXNPFEDSA-N -1 3 307.353 2.977 20 0 DFADHM C/C=C\c1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000360327070 428250967 /nfs/dbraw/zinc/25/09/67/428250967.db2.gz VOUPLAZTTPZJIX-LMVHVUTASA-N -1 3 324.446 2.622 20 0 DFADHM C[C@@H](c1cnn(C)c1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000346653573 428259644 /nfs/dbraw/zinc/25/96/44/428259644.db2.gz ZXHCPPYCECXVJR-LBPRGKRZSA-N -1 3 319.380 2.807 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)cc2C)o1 ZINC000414465528 428305945 /nfs/dbraw/zinc/30/59/45/428305945.db2.gz XVHCXZSYHIVVHP-UHFFFAOYSA-N -1 3 308.403 2.759 20 0 DFADHM CCOc1cc(CN2CCO[C@@H](CF)C2)cc(Cl)c1[O-] ZINC000414473602 428307616 /nfs/dbraw/zinc/30/76/16/428307616.db2.gz WEOMKUNJGURXQR-NSHDSACASA-N -1 3 303.761 2.615 20 0 DFADHM Cc1cc(-c2csc(NC(=O)c3cnn[n-]3)n2)ccc1F ZINC000356796020 428311673 /nfs/dbraw/zinc/31/16/73/428311673.db2.gz DXNLXYWRXPJIGO-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cc(-c2csc(NC(=O)c3c[n-]nn3)n2)ccc1F ZINC000356796020 428311677 /nfs/dbraw/zinc/31/16/77/428311677.db2.gz DXNLXYWRXPJIGO-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cc(-c2csc(NC(=O)c3cn[n-]n3)n2)ccc1F ZINC000356796020 428311681 /nfs/dbraw/zinc/31/16/81/428311681.db2.gz DXNLXYWRXPJIGO-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(C)nc(=O)[n-]2)C1(CC)CC ZINC000356801989 428313305 /nfs/dbraw/zinc/31/33/05/428313305.db2.gz FVJWSCZRGVPEFX-KBPBESRZSA-N -1 3 321.421 2.546 20 0 DFADHM O=C(Nc1n[nH]c2cc(F)ccc21)c1cc(-c2ccco2)[n-]n1 ZINC000356812559 428317951 /nfs/dbraw/zinc/31/79/51/428317951.db2.gz CEKLLOFAJJPNRM-UHFFFAOYSA-N -1 3 311.276 2.937 20 0 DFADHM O=C(Nc1n[nH]c2cc(F)ccc21)c1cc(-c2ccco2)n[n-]1 ZINC000356812559 428317958 /nfs/dbraw/zinc/31/79/58/428317958.db2.gz CEKLLOFAJJPNRM-UHFFFAOYSA-N -1 3 311.276 2.937 20 0 DFADHM CCC[C@]1(CO)CCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000378144005 428319661 /nfs/dbraw/zinc/31/96/61/428319661.db2.gz YLFOVJBTRRNNRP-INIZCTEOSA-N -1 3 311.809 2.599 20 0 DFADHM COc1ccc([C@H](NCc2cnc(C)[n-]c2=O)C(C)C)cc1 ZINC000346801283 428322907 /nfs/dbraw/zinc/32/29/07/428322907.db2.gz SBMLHAZUSNYAKU-MRXNPFEDSA-N -1 3 301.390 2.986 20 0 DFADHM CC1(C)[C@H](NC(=O)Cc2ccc([O-])cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000378173804 428325125 /nfs/dbraw/zinc/32/51/25/428325125.db2.gz UOJSUASQMAQLBX-MAZHCROVSA-N -1 3 323.820 2.908 20 0 DFADHM CC1(C)[C@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@@H]2CCCO[C@H]21 ZINC000360522869 428332564 /nfs/dbraw/zinc/33/25/64/428332564.db2.gz LJYHOUDXOYXXOU-NILFDRSVSA-N -1 3 322.380 2.534 20 0 DFADHM CCOc1cc(O)ccc1NC(=O)c1c[n-]nc1-c1ccncc1 ZINC000360564871 428349816 /nfs/dbraw/zinc/34/98/16/428349816.db2.gz XLSXBLRQMMLJBD-UHFFFAOYSA-N -1 3 324.340 2.828 20 0 DFADHM C/C=C\C[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)OCC ZINC000346760413 428304301 /nfs/dbraw/zinc/30/43/01/428304301.db2.gz SHQDBNOWOSFSHZ-DXTPNHAXSA-N -1 3 311.765 2.673 20 0 DFADHM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1CN(C)C ZINC000414465679 428304958 /nfs/dbraw/zinc/30/49/58/428304958.db2.gz SDVSRAGDSKRGJD-UHFFFAOYSA-N -1 3 322.405 2.997 20 0 DFADHM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc(=O)c2ccccc2[n-]1 ZINC000371991065 428410785 /nfs/dbraw/zinc/41/07/85/428410785.db2.gz HXYBWAZYVKESDE-GDIGMMSISA-N -1 3 316.360 2.596 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F ZINC000371096071 428358622 /nfs/dbraw/zinc/35/86/22/428358622.db2.gz ZDCCJMDYBBIUEM-XDTLVQLUSA-N -1 3 322.286 2.551 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000371096069 428359914 /nfs/dbraw/zinc/35/99/14/428359914.db2.gz ZDCCJMDYBBIUEM-BIMULSAOSA-N -1 3 322.286 2.551 20 0 DFADHM NC1(c2noc(C(=O)[N-]c3ccc(Cl)c(F)c3)n2)CCCC1 ZINC000414631059 428362090 /nfs/dbraw/zinc/36/20/90/428362090.db2.gz WFULXHDLHQEJIT-UHFFFAOYSA-N -1 3 324.743 2.842 20 0 DFADHM CC(C)c1nn(-c2ccccc2)cc1CN[C@H](C)CC(=O)[O-] ZINC000414638906 428363676 /nfs/dbraw/zinc/36/36/76/428363676.db2.gz PAGGROIYDBRXAM-CYBMUJFWSA-N -1 3 301.390 2.949 20 0 DFADHM CC[C@@H](C)N(CC(=O)[O-])Cc1nc2ccc(Cl)cc2n1C ZINC000414671013 428369951 /nfs/dbraw/zinc/36/99/51/428369951.db2.gz ASKQRMGTQDIINI-SNVBAGLBSA-N -1 3 309.797 2.912 20 0 DFADHM CC(C)(C)c1noc2ncc(C(=O)Nc3ncccc3[O-])cc21 ZINC000342249776 428370063 /nfs/dbraw/zinc/37/00/63/428370063.db2.gz OSMIMNYIQWXXHI-UHFFFAOYSA-N -1 3 312.329 2.873 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H]1CCC[C@H](CO)C1 ZINC000360633698 428375855 /nfs/dbraw/zinc/37/58/55/428375855.db2.gz FKCGUUZAHOZVOL-NEPJUHHUSA-N -1 3 311.809 2.503 20 0 DFADHM Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@H](C(=O)[O-])C1 ZINC000414686166 428376258 /nfs/dbraw/zinc/37/62/58/428376258.db2.gz UVKYZJZQPWICPP-LBPRGKRZSA-N -1 3 319.792 2.741 20 0 DFADHM CCCN(CC(=O)[O-])Cc1c(C)nn(Cc2ccccc2)c1C ZINC000414687146 428376359 /nfs/dbraw/zinc/37/63/59/428376359.db2.gz WEWAQHYQJJBKKB-UHFFFAOYSA-N -1 3 315.417 2.845 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3C[C@@]3(C)C(C)C)[n-]c21 ZINC000360635175 428377170 /nfs/dbraw/zinc/37/71/70/428377170.db2.gz JUWBLTXYJKHYKH-DIFFPNOSSA-N -1 3 315.373 2.970 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@@]3(C)C(C)C)nc21 ZINC000360635175 428377173 /nfs/dbraw/zinc/37/71/73/428377173.db2.gz JUWBLTXYJKHYKH-DIFFPNOSSA-N -1 3 315.373 2.970 20 0 DFADHM CCOC(=O)[C@H]1CCCCCN1C(=O)c1cc(C)ccc1[O-] ZINC000378361992 428378226 /nfs/dbraw/zinc/37/82/26/428378226.db2.gz VDVCTHLKFAIFLF-CQSZACIVSA-N -1 3 305.374 2.649 20 0 DFADHM Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1ccc(O)cc1[O-] ZINC000372389755 428437507 /nfs/dbraw/zinc/43/75/07/428437507.db2.gz NMJFLRVXSWCHOB-JTQLQIEISA-N -1 3 318.398 2.713 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(-n2cccn2)ccn1 ZINC000347081236 428437695 /nfs/dbraw/zinc/43/76/95/428437695.db2.gz XJMSATAFQLSDCI-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM O=S(=O)([N-]CCC1CC1)c1csc(-c2ccccc2)n1 ZINC000360785336 428438818 /nfs/dbraw/zinc/43/88/18/428438818.db2.gz HTEJIPXSHTVFEH-UHFFFAOYSA-N -1 3 308.428 2.889 20 0 DFADHM O=C([N-]c1ccc(-c2nc[nH]n2)cc1F)c1cc(C2CC2)no1 ZINC000347094632 428443004 /nfs/dbraw/zinc/44/30/04/428443004.db2.gz CALWGFGUAZPDOT-UHFFFAOYSA-N -1 3 313.292 2.729 20 0 DFADHM Cc1ccc(C2CCN(C(=O)/C=C/c3cncc([O-])c3)CC2)cn1 ZINC000378634643 428444861 /nfs/dbraw/zinc/44/48/61/428444861.db2.gz CZOLTEXAKGVLGM-HWKANZROSA-N -1 3 323.396 2.910 20 0 DFADHM O=C(N[C@@H]1COc2cccc(F)c21)c1cc(=O)c2ccccc2[n-]1 ZINC000378633675 428444939 /nfs/dbraw/zinc/44/49/39/428444939.db2.gz ADIXZNMCKINAHL-CQSZACIVSA-N -1 3 324.311 2.531 20 0 DFADHM Cc1cc(Cl)ccc1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000360810083 428447244 /nfs/dbraw/zinc/44/72/44/428447244.db2.gz AWQMWJIMKJDVIC-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM Cc1cc(Cl)ccc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000360810083 428447252 /nfs/dbraw/zinc/44/72/52/428447252.db2.gz AWQMWJIMKJDVIC-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM Cc1cc(Cl)ccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000360810083 428447255 /nfs/dbraw/zinc/44/72/55/428447255.db2.gz AWQMWJIMKJDVIC-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM Cc1sc(N[C@H](C)CN(C)Cc2ccccc2)nc1C(=O)[O-] ZINC000380935360 428454418 /nfs/dbraw/zinc/45/44/18/428454418.db2.gz JCEJBJMFHTWSIZ-LLVKDONJSA-N -1 3 319.430 3.082 20 0 DFADHM C[C@@H](C1CC1)N(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000357273502 428461806 /nfs/dbraw/zinc/46/18/06/428461806.db2.gz OVSVKBPYUWKGQB-VIFPVBQESA-N -1 3 312.207 2.954 20 0 DFADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)N(C)Cc1ccccc1 ZINC000360852023 428462801 /nfs/dbraw/zinc/46/28/01/428462801.db2.gz OVQXVJGDUHKOIY-LBPRGKRZSA-N -1 3 302.349 2.990 20 0 DFADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc(C(=O)[O-])s1 ZINC000389778640 428466973 /nfs/dbraw/zinc/46/69/73/428466973.db2.gz FXSVOZUZHDMZMT-AAEUAGOBSA-N -1 3 317.414 2.774 20 0 DFADHM COc1cc(CN[C@H](C)C(F)F)cc(Br)c1[O-] ZINC000389931910 428467208 /nfs/dbraw/zinc/46/72/08/428467208.db2.gz DBHMGZOGVORVOP-ZCFIWIBFSA-N -1 3 310.138 2.907 20 0 DFADHM Cc1cc(C[N-]S(=O)(=O)c2ccccc2C(C)(C)C)on1 ZINC000360730470 428417356 /nfs/dbraw/zinc/41/73/56/428417356.db2.gz XUQDCBGPVZCBGP-UHFFFAOYSA-N -1 3 308.403 2.759 20 0 DFADHM Cc1csc(N2CCCN(C(=O)c3cccc([O-])c3)CC2)n1 ZINC000378549999 428425851 /nfs/dbraw/zinc/42/58/51/428425851.db2.gz LPQBQMLDIFLPAT-UHFFFAOYSA-N -1 3 317.414 2.510 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000378553885 428426038 /nfs/dbraw/zinc/42/60/38/428426038.db2.gz QFUFHACNFQZYEZ-BLGFXRMMSA-N -1 3 324.380 2.870 20 0 DFADHM O=S(=O)([N-][C@H]1CCCc2cc(F)ccc21)c1cncc(F)c1 ZINC000347149957 428469904 /nfs/dbraw/zinc/46/99/04/428469904.db2.gz DCBGMMZWDTUYME-HNNXBMFYSA-N -1 3 324.352 2.716 20 0 DFADHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000360885084 428479409 /nfs/dbraw/zinc/47/94/09/428479409.db2.gz BEXYDVXAVHIJOA-MNOVXSKESA-N -1 3 321.801 2.715 20 0 DFADHM CN(Cc1cccc([O-])c1Br)C[C@H]1CCOC1 ZINC000398837029 428530733 /nfs/dbraw/zinc/53/07/33/428530733.db2.gz KJDCQEFOEUWPFS-SNVBAGLBSA-N -1 3 300.196 2.623 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)c(Cl)cc1F ZINC000357328922 428485542 /nfs/dbraw/zinc/48/55/42/428485542.db2.gz ADMRUUJPJKIGGA-UHFFFAOYSA-N -1 3 316.741 2.689 20 0 DFADHM Cc1noc(C)c1Cc1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000347205276 428493760 /nfs/dbraw/zinc/49/37/60/428493760.db2.gz VRDOAUWZTMEWFK-UHFFFAOYSA-N -1 3 322.328 2.717 20 0 DFADHM COC(=O)[C@H](NC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000357347829 428494109 /nfs/dbraw/zinc/49/41/09/428494109.db2.gz AUSRRSPPIALGEX-CQSZACIVSA-N -1 3 319.744 2.690 20 0 DFADHM CCc1ccc(C(=O)N2CCC(c3noc(C)n3)CC2)c([O-])c1 ZINC000372740172 428499595 /nfs/dbraw/zinc/49/95/95/428499595.db2.gz LYLDUHRDPWGCSD-UHFFFAOYSA-N -1 3 315.373 2.666 20 0 DFADHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccc([S@](C)=O)cc1 ZINC000357372743 428504753 /nfs/dbraw/zinc/50/47/53/428504753.db2.gz KUWXNSUAZAVDHU-MQJDWESPSA-N -1 3 303.383 2.621 20 0 DFADHM CSc1nnc(NC(=O)[C@H](C)CSc2ccccc2)[n-]1 ZINC000347257039 428515686 /nfs/dbraw/zinc/51/56/86/428515686.db2.gz 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3 312.373 2.939 20 0 DFADHM COC(=O)c1sc2[n-]c(CSCC3CC3)nc(=O)c2c1C ZINC000359160914 428845181 /nfs/dbraw/zinc/84/51/81/428845181.db2.gz UAQDBDCJTMOXNV-UHFFFAOYSA-N -1 3 324.427 2.723 20 0 DFADHM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1csc(=O)[n-]1 ZINC000348845792 428858944 /nfs/dbraw/zinc/85/89/44/428858944.db2.gz URKLOMRBYHZDID-MRVPVSSYSA-N -1 3 319.411 2.819 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@]3(C)CCOC3)nc2)n1 ZINC000354094961 428861391 /nfs/dbraw/zinc/86/13/91/428861391.db2.gz XNVWTXCRIZBGPJ-QGZVFWFLSA-N -1 3 314.389 2.645 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(F)(c3cccnc3)CC2)n1 ZINC000375364242 428864382 /nfs/dbraw/zinc/86/43/82/428864382.db2.gz XPHQZAHJDRQGHO-CYBMUJFWSA-N -1 3 316.380 2.907 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-]C(C)(C)c2ccccc2)s1 ZINC000359207267 428864984 /nfs/dbraw/zinc/86/49/84/428864984.db2.gz CAKNRAGFOVSSNT-UHFFFAOYSA-N -1 3 310.444 2.919 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 ZINC000354201171 428910957 /nfs/dbraw/zinc/91/09/57/428910957.db2.gz 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CN(C(=O)NCc1n[n-]c(C(F)(F)F)n1)[C@H]1CCC(C)(C)C1 ZINC000354263224 428944369 /nfs/dbraw/zinc/94/43/69/428944369.db2.gz WTZDDGMHMHTKAK-QMMMGPOBSA-N -1 3 319.331 2.544 20 0 DFADHM CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CCC(C)(C)C1 ZINC000354263224 428944372 /nfs/dbraw/zinc/94/43/72/428944372.db2.gz WTZDDGMHMHTKAK-QMMMGPOBSA-N -1 3 319.331 2.544 20 0 DFADHM O=S(=O)([N-]CCc1ccco1)c1cccc(Cl)c1F ZINC000359383530 428949156 /nfs/dbraw/zinc/94/91/56/428949156.db2.gz WSBAXPZCMHSEJY-UHFFFAOYSA-N -1 3 303.742 2.593 20 0 DFADHM O=C(NCc1cccc(C(F)(F)F)c1)c1csc(=O)[n-]1 ZINC000349298099 428959521 /nfs/dbraw/zinc/95/95/21/428959521.db2.gz KWIGHURSMWBSFC-UHFFFAOYSA-N -1 3 302.277 2.798 20 0 DFADHM CCO[C@@H](CCNC(=O)c1ccc(C(C)=O)c([O-])c1)C(C)C ZINC000412150724 428966013 /nfs/dbraw/zinc/96/60/13/428966013.db2.gz CGVDVZYLSNCYFB-INIZCTEOSA-N -1 3 307.390 2.776 20 0 DFADHM CCO[C@H](CCNC(=O)c1ccc(C(C)=O)c([O-])c1)C(C)C ZINC000412150727 428966784 /nfs/dbraw/zinc/96/67/84/428966784.db2.gz 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/nfs/dbraw/zinc/02/78/41/429027841.db2.gz PZWUWLQPVGHQCJ-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000433347859 429027845 /nfs/dbraw/zinc/02/78/45/429027845.db2.gz PZWUWLQPVGHQCJ-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM CC(C)c1nc([C@@H]2CN(Cc3cc([O-])cc(F)c3)CCO2)no1 ZINC000375972176 429031453 /nfs/dbraw/zinc/03/14/53/429031453.db2.gz CCDPZRRPPIULAR-AWEZNQCLSA-N -1 3 321.352 2.611 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2cccc3c2CCCN3)c1 ZINC000423635366 428986494 /nfs/dbraw/zinc/98/64/94/428986494.db2.gz AELKMRIYUZZFBF-UHFFFAOYSA-N -1 3 312.369 2.689 20 0 DFADHM C[C@@H](CNC(=O)NCc1ncccc1[O-])Sc1ccccc1 ZINC000349494397 428995275 /nfs/dbraw/zinc/99/52/75/428995275.db2.gz RNTMCYLAGHXYGV-LBPRGKRZSA-N -1 3 317.414 2.767 20 0 DFADHM CCN(CC(F)F)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412248461 428995632 /nfs/dbraw/zinc/99/56/32/428995632.db2.gz IRNIUEWZAJLBSE-UHFFFAOYSA-N -1 3 314.719 2.909 20 0 DFADHM CC(=O)c1ccc(C(=O)N(C)C[C@@H](C)c2nccs2)cc1[O-] ZINC000412251477 428998591 /nfs/dbraw/zinc/99/85/91/428998591.db2.gz LHNQDNCWTXVPTL-SNVBAGLBSA-N -1 3 318.398 2.927 20 0 DFADHM CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000423706828 428999802 /nfs/dbraw/zinc/99/98/02/428999802.db2.gz CIVRXLAKPFIYKF-OWRWGESLSA-N -1 3 324.808 2.517 20 0 DFADHM CCO[C@H]1C[C@@](N)(C(=O)Nc2cc(Cl)ccc2[O-])C1(C)C ZINC000423704584 429000230 /nfs/dbraw/zinc/00/02/30/429000230.db2.gz FIKIMMCNUPOADX-SWLSCSKDSA-N -1 3 312.797 2.517 20 0 DFADHM CCO[C@H]1C[C@](N)(C(=O)Nc2cc(Cl)ccc2[O-])C1(C)C ZINC000423704585 429001284 /nfs/dbraw/zinc/00/12/84/429001284.db2.gz FIKIMMCNUPOADX-WFASDCNBSA-N -1 3 312.797 2.517 20 0 DFADHM CC(C)C(CNC(=O)c1c[n-]c2ccncc2c1=O)C(C)C ZINC000412277961 429003259 /nfs/dbraw/zinc/00/32/59/429003259.db2.gz IIHGDLLZROYWJZ-UHFFFAOYSA-N -1 3 301.390 2.581 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H](CO)CCC(C)(C)C)cc1[O-] ZINC000412302591 429009125 /nfs/dbraw/zinc/00/91/25/429009125.db2.gz DOWMNHSTGLGKFL-CYBMUJFWSA-N -1 3 307.390 2.512 20 0 DFADHM CC[C@@H](COCC(F)(F)F)NC(=O)c1cccc(C)c1[O-] ZINC000452325321 429095460 /nfs/dbraw/zinc/09/54/60/429095460.db2.gz IBQFQXMDFONVOL-JTQLQIEISA-N -1 3 305.296 2.788 20 0 DFADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000451997377 429035176 /nfs/dbraw/zinc/03/51/76/429035176.db2.gz SYOFPKJVKRSQGA-SDBXPKJASA-N -1 3 321.801 2.571 20 0 DFADHM C[C@H](NC(=O)c1c[n-]c2ccncc2c1=O)[C@@H]1CCC[C@@H](C)C1 ZINC000412408561 429035463 /nfs/dbraw/zinc/03/54/63/429035463.db2.gz IRDFDJJILKVWHB-FRRDWIJNSA-N -1 3 313.401 2.868 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCCO[C@H](CF)C1 ZINC000412453924 429045837 /nfs/dbraw/zinc/04/58/37/429045837.db2.gz SIXWJRVVZBHQEK-SNVBAGLBSA-N -1 3 321.270 2.612 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCO[C@@H](C2CCC2)C1 ZINC000412461735 429046545 /nfs/dbraw/zinc/04/65/45/429046545.db2.gz OAZKFPHRFSPBHW-OAHLLOKOSA-N -1 3 309.793 2.616 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2ccn(CC)n2)c([O-])c1 ZINC000412477566 429051169 /nfs/dbraw/zinc/05/11/69/429051169.db2.gz UWMOUUGAVYFPGH-UHFFFAOYSA-N -1 3 317.389 2.718 20 0 DFADHM Cc1cccc2c1OC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C2 ZINC000452166010 429075304 /nfs/dbraw/zinc/07/53/04/429075304.db2.gz RWHBMLSXWARSED-CQSZACIVSA-N -1 3 315.344 2.502 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@@H]3C[C@H](C)O[C@@H]3C)ccc2[n-]1 ZINC000412666174 429079828 /nfs/dbraw/zinc/07/98/28/429079828.db2.gz YLRIZZMFRBVXEI-LOWVWBTDSA-N -1 3 317.389 2.505 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@@H]3C[C@H](C)O[C@@H]3C)cc2[n-]1 ZINC000412666174 429079832 /nfs/dbraw/zinc/07/98/32/429079832.db2.gz YLRIZZMFRBVXEI-LOWVWBTDSA-N -1 3 317.389 2.505 20 0 DFADHM Nc1cccc(C2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)c1 ZINC000424032091 429080075 /nfs/dbraw/zinc/08/00/75/429080075.db2.gz IPBVLYIYMMCECO-UHFFFAOYSA-N -1 3 321.384 2.560 20 0 DFADHM C[C@@H]1C[C@@H](CNC(=O)c2cc3c(cc2[O-])CCCC3)[C@@H](C)O1 ZINC000412686780 429082368 /nfs/dbraw/zinc/08/23/68/429082368.db2.gz NHZDVHIZZLOSGU-JMSVASOKSA-N -1 3 303.402 2.814 20 0 DFADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@@H]1C[C@H]1C1CC1 ZINC000434393439 429084418 /nfs/dbraw/zinc/08/44/18/429084418.db2.gz FVCMGVAIRHREIK-DTWKUNHWSA-N -1 3 304.300 2.735 20 0 DFADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@@H]1C[C@H]1C1CC1 ZINC000434393439 429084423 /nfs/dbraw/zinc/08/44/23/429084423.db2.gz FVCMGVAIRHREIK-DTWKUNHWSA-N -1 3 304.300 2.735 20 0 DFADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@@H]1C[C@H]1C1CC1 ZINC000434393439 429084424 /nfs/dbraw/zinc/08/44/24/429084424.db2.gz FVCMGVAIRHREIK-DTWKUNHWSA-N -1 3 304.300 2.735 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NCCCC1CCOCC1 ZINC000452211274 429085284 /nfs/dbraw/zinc/08/52/84/429085284.db2.gz VYDDIUPLVXNYOJ-UHFFFAOYSA-N -1 3 311.809 2.911 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3nc4cccnc4[nH]3)n[n-]2)o1 ZINC000494782266 429153484 /nfs/dbraw/zinc/15/34/84/429153484.db2.gz BFFCXKMWXXHUQD-UHFFFAOYSA-N -1 3 308.301 2.502 20 0 DFADHM COC[C@H]1CCCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000376366210 429101302 /nfs/dbraw/zinc/10/13/02/429101302.db2.gz GWNFQAADXWVEMT-NSHDSACASA-N -1 3 307.419 2.645 20 0 DFADHM CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)c1ccccn1 ZINC000452383718 429105253 /nfs/dbraw/zinc/10/52/53/429105253.db2.gz DNNYELDUEIAZFQ-UHFFFAOYSA-N -1 3 302.349 2.563 20 0 DFADHM CSc1ccc(C(=O)N2CCC23CCC(CO)CC3)c([O-])c1 ZINC000376425034 429111248 /nfs/dbraw/zinc/11/12/48/429111248.db2.gz BYQYZXSOJVVJKB-UHFFFAOYSA-N -1 3 321.442 2.881 20 0 DFADHM Cc1nnc2n1CCC[C@H]2NC(=O)c1cc([O-])c2ccccc2c1 ZINC000376451726 429114840 /nfs/dbraw/zinc/11/48/40/429114840.db2.gz YBQDNMYXSLXQKL-OAHLLOKOSA-N -1 3 322.368 2.710 20 0 DFADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)N(C1CC1)C1CCCC1 ZINC000424255782 429115297 /nfs/dbraw/zinc/11/52/97/429115297.db2.gz IBPVORCYQWPDED-AWEZNQCLSA-N -1 3 322.449 2.639 20 0 DFADHM C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)[C@@H]1C(=O)[O-] ZINC000424272361 429118622 /nfs/dbraw/zinc/11/86/22/429118622.db2.gz QMTHEYAGNRLSPE-SKDRFNHKSA-N -1 3 302.296 2.786 20 0 DFADHM CCCn1ncc(NC(=O)c2c[n-]c(C(=O)OC)c2)c1C1CC1 ZINC000452469715 429118686 /nfs/dbraw/zinc/11/86/86/429118686.db2.gz XEOBWMVEKAFYEU-UHFFFAOYSA-N -1 3 316.361 2.538 20 0 DFADHM COC(=O)[C@H](C)SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000412993472 429119497 /nfs/dbraw/zinc/11/94/97/429119497.db2.gz WGZVHOILGRJNCS-JTQLQIEISA-N -1 3 304.371 2.644 20 0 DFADHM O=C(NCc1ncoc1-c1ccccc1)c1ccc2n[n-]nc2c1 ZINC000376664019 429156902 /nfs/dbraw/zinc/15/69/02/429156902.db2.gz FOCWCCJLEMHRQK-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM CC(=O)Nc1ccc([O-])c(-c2nc(C3(N)CCCCC3)no2)c1 ZINC000424338975 429128184 /nfs/dbraw/zinc/12/81/84/429128184.db2.gz BQRAPRUMXJGAQL-UHFFFAOYSA-N -1 3 316.361 2.519 20 0 DFADHM O=C([N-]c1cccc(F)c1-c1nc[nH]n1)c1nc(Cl)cs1 ZINC000363901761 429136957 /nfs/dbraw/zinc/13/69/57/429136957.db2.gz ZOPYQTMVPTVMRC-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM COc1cc2c(c(CN3CCC[C@H](C)[C@@H]3C(=O)[O-])c1)O[C@H](C)C2 ZINC000424422400 429139696 /nfs/dbraw/zinc/13/96/96/429139696.db2.gz SOZIEKQJGUEXRM-HWWQOWPSSA-N -1 3 319.401 2.704 20 0 DFADHM COc1cc2c(c(CN3CCC[C@H](C)[C@@H]3C(=O)[O-])c1)O[C@@H](C)C2 ZINC000424422405 429139862 /nfs/dbraw/zinc/13/98/62/429139862.db2.gz SOZIEKQJGUEXRM-MQIPJXDCSA-N -1 3 319.401 2.704 20 0 DFADHM CCc1cc(C(=O)N2CC[S@@](=O)C(CC)(CC)C2)ccc1[O-] ZINC000487188262 429141070 /nfs/dbraw/zinc/14/10/70/429141070.db2.gz FPHRRKAITCCXRM-JOCHJYFZSA-N -1 3 323.458 2.718 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccco1 ZINC000435440820 429141273 /nfs/dbraw/zinc/14/12/73/429141273.db2.gz ZZLUXBYNYIIRTB-LDYMZIIASA-N -1 3 315.753 2.907 20 0 DFADHM Cc1cccc(Br)c1C(=O)NCc1ncccc1[O-] ZINC000487548679 429161381 /nfs/dbraw/zinc/16/13/81/429161381.db2.gz CYKJKJAJYBFTGK-UHFFFAOYSA-N -1 3 321.174 2.788 20 0 DFADHM O=C([O-])[C@@H]1CC[C@H](NCc2c(F)cccc2Br)C1 ZINC000424609734 429163852 /nfs/dbraw/zinc/16/38/52/429163852.db2.gz CMEJKEOIGNWAAE-BDAKNGLRSA-N -1 3 316.170 2.931 20 0 DFADHM Cn1cc([C@H]([N-]C(=O)c2c(F)cccc2F)C(F)(F)F)cn1 ZINC000487731454 429166057 /nfs/dbraw/zinc/16/60/57/429166057.db2.gz NNTYLOBLQORNMV-NSHDSACASA-N -1 3 319.233 2.732 20 0 DFADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1ccc(Br)o1 ZINC000424628354 429166956 /nfs/dbraw/zinc/16/69/56/429166956.db2.gz WQIQZRSAGWXNEA-LDYMZIIASA-N -1 3 304.184 2.877 20 0 DFADHM [O-]c1ccc(-c2noc([C@H]3CCCN(c4ncccn4)C3)n2)cc1 ZINC000377592976 275060804 /nfs/dbraw/zinc/06/08/04/275060804.db2.gz KFIMIBMZSFJDRO-ZDUSSCGKSA-N -1 3 323.356 2.616 20 0 DFADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cccc(F)c2F)s1 ZINC000364027956 429159368 /nfs/dbraw/zinc/15/93/68/429159368.db2.gz UFICIYFUOAWNDS-UHFFFAOYSA-N -1 3 321.312 2.767 20 0 DFADHM CN(C)[C@@]1(C(=O)Nc2cc(F)ccc2[O-])CCc2ccccc21 ZINC000364372393 429192466 /nfs/dbraw/zinc/19/24/66/429192466.db2.gz CWGRJRBSEMMXAX-SFHVURJKSA-N -1 3 314.360 2.873 20 0 DFADHM CCOC(=O)Nc1ccc(NC([O-])=NOCC(F)F)cc1 ZINC000495430574 429208622 /nfs/dbraw/zinc/20/86/22/429208622.db2.gz WSZANCHMCNJCRR-UHFFFAOYSA-N -1 3 303.265 2.573 20 0 DFADHM CCOC(=O)Nc1ccc(NC(=O)[N-]OCC(F)F)cc1 ZINC000495430574 429208624 /nfs/dbraw/zinc/20/86/24/429208624.db2.gz WSZANCHMCNJCRR-UHFFFAOYSA-N -1 3 303.265 2.573 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](C)C(F)(F)F)ccc2[n-]1 ZINC000424949003 429211790 /nfs/dbraw/zinc/21/17/90/429211790.db2.gz FNWZCAOXAHIFLL-SSDOTTSWSA-N -1 3 301.268 2.642 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](C)C(F)(F)F)cc2[n-]1 ZINC000424949003 429211793 /nfs/dbraw/zinc/21/17/93/429211793.db2.gz FNWZCAOXAHIFLL-SSDOTTSWSA-N -1 3 301.268 2.642 20 0 DFADHM COc1nnc(NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)[n-]1 ZINC000456016739 429231749 /nfs/dbraw/zinc/23/17/49/429231749.db2.gz MZXCQVDIQVOVJT-SSDOTTSWSA-N -1 3 314.267 2.731 20 0 DFADHM COc1nc(NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)n[n-]1 ZINC000456016739 429231751 /nfs/dbraw/zinc/23/17/51/429231751.db2.gz MZXCQVDIQVOVJT-SSDOTTSWSA-N -1 3 314.267 2.731 20 0 DFADHM COc1n[n-]c(NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)n1 ZINC000456016739 429231753 /nfs/dbraw/zinc/23/17/53/429231753.db2.gz MZXCQVDIQVOVJT-SSDOTTSWSA-N -1 3 314.267 2.731 20 0 DFADHM Cn1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436587771 429200387 /nfs/dbraw/zinc/20/03/87/429200387.db2.gz ZUGZTFAZOWZASS-UHFFFAOYSA-N -1 3 321.380 3.163 20 0 DFADHM [O-]c1cc(CNc2ccn(CC(F)F)n2)cc(C(F)(F)F)c1 ZINC000436935237 429203803 /nfs/dbraw/zinc/20/38/03/429203803.db2.gz VXPWMKQYAVMUKP-UHFFFAOYSA-N -1 3 321.249 3.485 20 0 DFADHM Cn1nc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1C1CC1 ZINC000436943435 429204185 /nfs/dbraw/zinc/20/41/85/429204185.db2.gz YVMVCJNBERZMHY-UHFFFAOYSA-N -1 3 311.385 3.134 20 0 DFADHM [O-]c1cncc(/C=C\c2nc(Cc3cn4ccccc4n3)no2)c1 ZINC000445192724 429283002 /nfs/dbraw/zinc/28/30/02/429283002.db2.gz RTESJEIQQPZZRR-PLNGDYQASA-N -1 3 319.324 2.579 20 0 DFADHM CCn1ccnc1[C@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000456356489 429286232 /nfs/dbraw/zinc/28/62/32/429286232.db2.gz PBDMURUBIPHZHO-JTQLQIEISA-N -1 3 307.781 2.682 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000364614736 429234608 /nfs/dbraw/zinc/23/46/08/429234608.db2.gz RECWUJCLWUXJRI-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000364614736 429234615 /nfs/dbraw/zinc/23/46/15/429234615.db2.gz RECWUJCLWUXJRI-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM CSc1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c([O-])c1 ZINC000364617579 429235176 /nfs/dbraw/zinc/23/51/76/429235176.db2.gz LOABDNRBYYFLQB-KYOSRNDESA-N -1 3 307.415 2.802 20 0 DFADHM C[C@@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CCOC1 ZINC000442817276 429236769 /nfs/dbraw/zinc/23/67/69/429236769.db2.gz ZEDDFDJZHHXMIO-GFCCVEGCSA-N -1 3 305.252 2.656 20 0 DFADHM O=C(c1cccc([O-])c1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000364699310 429251017 /nfs/dbraw/zinc/25/10/17/429251017.db2.gz IWDKFKGCEZMDTJ-CZUORRHYSA-N -1 3 319.307 2.619 20 0 DFADHM CC(=O)CCCC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000364746144 429259743 /nfs/dbraw/zinc/25/97/43/429259743.db2.gz LIADWPYPBIWBDA-UHFFFAOYSA-N -1 3 313.357 2.855 20 0 DFADHM COc1cc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc(OC)c1[O-] ZINC000456304070 429273368 /nfs/dbraw/zinc/27/33/68/429273368.db2.gz SNMLBILLWWSJEW-CJNGLKHVSA-N -1 3 317.385 2.670 20 0 DFADHM Cc1cc(C)nc(C2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000365478645 429325918 /nfs/dbraw/zinc/32/59/18/429325918.db2.gz SKQGNRBXQQYVEZ-UHFFFAOYSA-N -1 3 311.385 2.819 20 0 DFADHM Cc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1[O-] ZINC000499779647 429326246 /nfs/dbraw/zinc/32/62/46/429326246.db2.gz NOXHQJNJNUIKTG-UHFFFAOYSA-N -1 3 311.366 3.471 20 0 DFADHM CCn1cc([C@H](C)NC(=O)c2ccc3c(c2[O-])CCCC3)cn1 ZINC000456688798 429337390 /nfs/dbraw/zinc/33/73/90/429337390.db2.gz GKCRHDZTHXLRKT-LBPRGKRZSA-N -1 3 313.401 2.978 20 0 DFADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000365546919 429338277 /nfs/dbraw/zinc/33/82/77/429338277.db2.gz MYRNODKYSKDYJH-CYBMUJFWSA-N -1 3 322.368 2.683 20 0 DFADHM CC[C@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])N(CC)CC ZINC000449141612 429341977 /nfs/dbraw/zinc/34/19/77/429341977.db2.gz FFOAPVMWLOXJBN-CHWSQXEVSA-N -1 3 300.443 2.503 20 0 DFADHM O=S(=O)([N-][C@H]1CCC[C@@H]1OCc1ccccc1)c1ccco1 ZINC000445735214 429290864 /nfs/dbraw/zinc/29/08/64/429290864.db2.gz OOEMNMWAJHMXDI-GJZGRUSLSA-N -1 3 321.398 2.696 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000495956425 429299456 /nfs/dbraw/zinc/29/94/56/429299456.db2.gz DIMNQJSLCWADPM-LLVKDONJSA-N -1 3 307.350 2.742 20 0 DFADHM C[C@@H](CCOCc1ccccc1)NC(=O)c1csc(=O)[n-]1 ZINC000490778210 429305851 /nfs/dbraw/zinc/30/58/51/429305851.db2.gz YFIQPTCHIATMBU-NSHDSACASA-N -1 3 306.387 2.574 20 0 DFADHM CN(C(=O)Cc1ccc([O-])cc1Cl)[C@@H](CO)CC(C)(C)C ZINC000456445878 429308463 /nfs/dbraw/zinc/30/84/63/429308463.db2.gz NIYLBNKWOSCJQH-GFCCVEGCSA-N -1 3 313.825 2.844 20 0 DFADHM CNC(=O)C[C@H](C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000456458029 429310015 /nfs/dbraw/zinc/31/00/15/429310015.db2.gz CMIHDXSGCFPIQF-LBPRGKRZSA-N -1 3 320.433 2.893 20 0 DFADHM C[C@@H](NC(=O)/C=C\c1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000490920379 429313464 /nfs/dbraw/zinc/31/34/64/429313464.db2.gz ZEWHRTKPXIBASR-YLGBQOPLSA-N -1 3 310.353 2.549 20 0 DFADHM COc1cccc(C(=O)N2CC(C)(CC(F)(F)F)C2)c1[O-] ZINC000457143173 429410867 /nfs/dbraw/zinc/41/08/67/429410867.db2.gz MGJAIWPDRDBFEB-UHFFFAOYSA-N -1 3 303.280 2.815 20 0 DFADHM COc1ccc(CNC(CF)CF)c(Br)c1[O-] ZINC000449382531 429401240 /nfs/dbraw/zinc/40/12/40/429401240.db2.gz XMJFLEMOVSSBRE-UHFFFAOYSA-N -1 3 310.138 2.561 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000426556374 429402326 /nfs/dbraw/zinc/40/23/26/429402326.db2.gz CDQDFPCPLXERFT-HOTGVXAUSA-N -1 3 303.402 2.984 20 0 DFADHM O=C([N-]c1nc2n(n1)CCCC2)c1ccc(-c2cccs2)o1 ZINC000457128486 429409599 /nfs/dbraw/zinc/40/95/99/429409599.db2.gz UXGQNDGLDCFJRO-UHFFFAOYSA-N -1 3 314.370 3.188 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCCN2CCc3ccccc3C2)c1 ZINC000508484249 429353352 /nfs/dbraw/zinc/35/33/52/429353352.db2.gz QKQZKXQAPRUZGK-UHFFFAOYSA-N -1 3 324.424 2.743 20 0 DFADHM Cn1c(=O)c(CNCc2cc([O-])cc(F)c2)cc2ccccc21 ZINC000491399345 429356422 /nfs/dbraw/zinc/35/64/22/429356422.db2.gz HVMQVLXRHRFMRH-UHFFFAOYSA-N -1 3 312.344 2.673 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@]3(CCCCO3)C2)c1[O-] ZINC000365707950 429362021 /nfs/dbraw/zinc/36/20/21/429362021.db2.gz STMVHTFQIBJHLT-QGZVFWFLSA-N -1 3 305.374 2.576 20 0 DFADHM COC[C@@H]1CCCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000456949016 429367983 /nfs/dbraw/zinc/36/79/83/429367983.db2.gz DLZXXQAUSOFRJN-HNNXBMFYSA-N -1 3 303.402 2.912 20 0 DFADHM Cc1cccc(OCCCNC(=O)c2cccc3nn[n-]c32)c1C ZINC000514769995 429371973 /nfs/dbraw/zinc/37/19/73/429371973.db2.gz JWWQIGKACYKSBM-UHFFFAOYSA-N -1 3 324.384 2.774 20 0 DFADHM Cc1cccc(OCCCNC(=O)c2cccc3[n-]nnc32)c1C ZINC000514769995 429371978 /nfs/dbraw/zinc/37/19/78/429371978.db2.gz JWWQIGKACYKSBM-UHFFFAOYSA-N -1 3 324.384 2.774 20 0 DFADHM Cc1cccc(OCCCNC(=O)c2cccc3n[n-]nc32)c1C ZINC000514769995 429371982 /nfs/dbraw/zinc/37/19/82/429371982.db2.gz JWWQIGKACYKSBM-UHFFFAOYSA-N -1 3 324.384 2.774 20 0 DFADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCC[C@@H](C)C1 ZINC000456991713 429373482 /nfs/dbraw/zinc/37/34/82/429373482.db2.gz FWWARJLUZXSGFW-GRYCIOLGSA-N -1 3 314.385 2.515 20 0 DFADHM [O-]c1ccc(Br)c(CNCc2noc(C3CC3)n2)c1 ZINC000449301957 429381507 /nfs/dbraw/zinc/38/15/07/429381507.db2.gz STHVAHCNGZASPI-UHFFFAOYSA-N -1 3 324.178 2.705 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCN[C@H](c3ccccc3)C2)c1 ZINC000457039636 429383073 /nfs/dbraw/zinc/38/30/73/429383073.db2.gz ZIFMBNLMBOAXTC-KRWDZBQOSA-N -1 3 310.397 2.741 20 0 DFADHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)o1 ZINC000518136143 429410695 /nfs/dbraw/zinc/41/06/95/429410695.db2.gz JHKRSKQFTSMFJO-UHFFFAOYSA-N -1 3 314.432 2.821 20 0 DFADHM COC(=O)[C@@H](CC1CCCCC1)NCc1nc(C)ccc1[O-] ZINC000426368834 429386125 /nfs/dbraw/zinc/38/61/25/429386125.db2.gz BTOQEEABWIXSQV-CQSZACIVSA-N -1 3 306.406 2.697 20 0 DFADHM CSc1ccccc1CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000519221552 429451218 /nfs/dbraw/zinc/45/12/18/429451218.db2.gz BHZLGBQJMMATEK-LBPRGKRZSA-N -1 3 304.419 2.612 20 0 DFADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2c[n-]c3ccncc3c2=O)o1 ZINC000519341350 429455300 /nfs/dbraw/zinc/45/53/00/429455300.db2.gz QEQSASSVXQLTGD-ZYHUDNBSSA-N -1 3 323.352 2.570 20 0 DFADHM O=C(Nc1ccnc2ccncc21)c1cc(-c2ccco2)[n-]n1 ZINC000427716090 429466633 /nfs/dbraw/zinc/46/66/33/429466633.db2.gz VFKZOSDFOLPIHB-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM O=C(Nc1ccnc2ccncc21)c1cc(-c2ccco2)n[n-]1 ZINC000427716090 429466637 /nfs/dbraw/zinc/46/66/37/429466637.db2.gz VFKZOSDFOLPIHB-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM Cc1cc(C)n([C@@H]2CCCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)n1 ZINC000366081501 429414215 /nfs/dbraw/zinc/41/42/15/429414215.db2.gz CXKNGHWMUHJNBC-LSDHHAIUSA-N -1 3 315.421 2.702 20 0 DFADHM Cn1cnc2cc(CN[C@@H](CC(=O)[O-])c3ccccc3)ccc21 ZINC000426769122 429414617 /nfs/dbraw/zinc/41/46/17/429414617.db2.gz GALLCUPPRGMPHD-HNNXBMFYSA-N -1 3 309.369 2.879 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2ccnc3ccccc23)[n-]1 ZINC000491841010 429418389 /nfs/dbraw/zinc/41/83/89/429418389.db2.gz AQQXQHXZZDBTTB-VOTSOKGWSA-N -1 3 311.370 2.727 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2ccnc3ccccc23)n1 ZINC000491841010 429418393 /nfs/dbraw/zinc/41/83/93/429418393.db2.gz AQQXQHXZZDBTTB-VOTSOKGWSA-N -1 3 311.370 2.727 20 0 DFADHM CSc1nc(NC(=O)C=Cc2ccnc3ccccc23)n[n-]1 ZINC000491841010 429418398 /nfs/dbraw/zinc/41/83/98/429418398.db2.gz AQQXQHXZZDBTTB-VOTSOKGWSA-N -1 3 311.370 2.727 20 0 DFADHM [O-]c1ccc(Br)c(CNC2(CF)CCOCC2)c1 ZINC000449444979 429419527 /nfs/dbraw/zinc/41/95/27/429419527.db2.gz FKUJYOAOWXJYPH-UHFFFAOYSA-N -1 3 318.186 2.763 20 0 DFADHM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1ncccc1[O-] ZINC000491847108 429420141 /nfs/dbraw/zinc/42/01/41/429420141.db2.gz LCTPKVNRQADMCD-NSHDSACASA-N -1 3 321.377 2.515 20 0 DFADHM CC(C)C1CCC(N2CCN(c3nc(C(=O)[O-])co3)CC2)CC1 ZINC000518540783 429427483 /nfs/dbraw/zinc/42/74/83/429427483.db2.gz XPIGVYWDXWNARS-UHFFFAOYSA-N -1 3 321.421 2.710 20 0 DFADHM O=S(=O)(CCCc1ccc(Cl)cc1)c1nc2c([n-]1)CCC2 ZINC000427071486 429431570 /nfs/dbraw/zinc/43/15/70/429431570.db2.gz GPIMRDFOLZZOTH-UHFFFAOYSA-N -1 3 324.833 2.958 20 0 DFADHM CCc1cccc(C(=O)N[C@H](c2ccccc2F)[C@H](C)O)c1[O-] ZINC000518784129 429435689 /nfs/dbraw/zinc/43/56/89/429435689.db2.gz RGHLOWZZTNQNHJ-ZBEGNZNMSA-N -1 3 317.360 2.946 20 0 DFADHM Cc1cc2cc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)oc2cc1C ZINC000427173778 429436826 /nfs/dbraw/zinc/43/68/26/429436826.db2.gz CJVHDUUFXNQZFN-UHFFFAOYSA-N -1 3 313.313 2.812 20 0 DFADHM CCCCN(CCOC)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000449853845 429525415 /nfs/dbraw/zinc/52/54/15/429525415.db2.gz WNOGSNZYVFZKCP-UHFFFAOYSA-N -1 3 319.405 2.850 20 0 DFADHM CCCCN(CCOC)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000449853845 429525419 /nfs/dbraw/zinc/52/54/19/429525419.db2.gz WNOGSNZYVFZKCP-UHFFFAOYSA-N -1 3 319.405 2.850 20 0 DFADHM Cc1ccccc1-n1nccc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492393779 429527416 /nfs/dbraw/zinc/52/74/16/429527416.db2.gz FCTGRILGTLDFNV-SREVYHEPSA-N -1 3 320.352 2.933 20 0 DFADHM 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/nfs/dbraw/zinc/72/37/67/429723767.db2.gz SFDCRFAZKRKUNY-UHFFFAOYSA-N -1 3 319.324 2.767 20 0 DFADHM COc1ccc(NC(=O)c2cccc3n[n-]nc32)c2ncccc12 ZINC000527114409 429723772 /nfs/dbraw/zinc/72/37/72/429723772.db2.gz SFDCRFAZKRKUNY-UHFFFAOYSA-N -1 3 319.324 2.767 20 0 DFADHM C[C@H](NC(=O)c1cccc2nn[n-]c21)[C@H]1Oc2ccccc2[C@@H]1C ZINC000527356691 429746706 /nfs/dbraw/zinc/74/67/06/429746706.db2.gz LEZOOEXFVYVHII-DINDLPBHSA-N -1 3 322.368 2.641 20 0 DFADHM C[C@H](NC(=O)c1cccc2[n-]nnc21)[C@H]1Oc2ccccc2[C@@H]1C ZINC000527356691 429746708 /nfs/dbraw/zinc/74/67/08/429746708.db2.gz LEZOOEXFVYVHII-DINDLPBHSA-N -1 3 322.368 2.641 20 0 DFADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)[C@H]1Oc2ccccc2[C@@H]1C ZINC000527356691 429746712 /nfs/dbraw/zinc/74/67/12/429746712.db2.gz LEZOOEXFVYVHII-DINDLPBHSA-N -1 3 322.368 2.641 20 0 DFADHM CCC1(c2ccccc2)CN(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000493282310 429726096 /nfs/dbraw/zinc/72/60/96/429726096.db2.gz BOMDPPJDCNZXOT-CMDGGOBGSA-N -1 3 308.381 2.991 20 0 DFADHM 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/nfs/dbraw/zinc/25/16/17/430251617.db2.gz GEHQJTAKYJRNAY-UHFFFAOYSA-N -1 3 319.792 2.593 20 0 DFADHM O=C([O-])COCCNCc1ccc(F)c(-c2cccs2)c1 ZINC000635315767 430253218 /nfs/dbraw/zinc/25/32/18/430253218.db2.gz AEASITVOFJABHM-UHFFFAOYSA-N -1 3 309.362 2.745 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCN(Cc2cscc2C(F)(F)F)C1 ZINC000635316916 430254133 /nfs/dbraw/zinc/25/41/33/430254133.db2.gz MYVFVFATMIKTKO-GFCCVEGCSA-N -1 3 323.336 2.690 20 0 DFADHM CCN(Cc1ccc(Cl)c(Cl)c1)C[C@@](C)(O)C(=O)[O-] ZINC000566358510 430254500 /nfs/dbraw/zinc/25/45/00/430254500.db2.gz JPCIOHYWAMMZKM-CYBMUJFWSA-N -1 3 306.189 2.651 20 0 DFADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1c(F)cccc1F ZINC000566433533 430260004 /nfs/dbraw/zinc/26/00/04/430260004.db2.gz VBOFSNXOOUHABS-MRVPVSSYSA-N -1 3 319.311 2.829 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC2(CCSCC2)CC1 ZINC000640878992 430274918 /nfs/dbraw/zinc/27/49/18/430274918.db2.gz OMEAWFNSRHZPFB-UHFFFAOYSA-N -1 3 307.415 2.847 20 0 DFADHM O=C([N-]c1nnc(C(F)F)s1)c1c[nH]nc1-c1cccnc1 ZINC000544195060 430275430 /nfs/dbraw/zinc/27/54/30/430275430.db2.gz IUWQWETZAFEZHV-UHFFFAOYSA-N -1 3 322.300 2.513 20 0 DFADHM Cc1ccnc(OC2CCN(c3ccncc3C(=O)[O-])CC2)c1 ZINC000567238364 430282942 /nfs/dbraw/zinc/28/29/42/430282942.db2.gz IRSSMBXRFRQVCD-UHFFFAOYSA-N -1 3 313.357 2.531 20 0 DFADHM O=c1cc(-c2noc([C@H]3C[C@]34CCc3ccccc34)n2)nc[n-]1 ZINC000581824075 430241081 /nfs/dbraw/zinc/24/10/81/430241081.db2.gz VPIIMMGBMVGFGU-PXAZEXFGSA-N -1 3 306.325 2.604 20 0 DFADHM CC1=C(C(=O)N2CCc3nc[n-]c(=O)c3C2)CCC(C)(C)C1 ZINC000582282022 430285813 /nfs/dbraw/zinc/28/58/13/430285813.db2.gz PPHQQYFSARPIGH-UHFFFAOYSA-N -1 3 301.390 2.594 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000582289532 430285836 /nfs/dbraw/zinc/28/58/36/430285836.db2.gz RNFRAFBFOWCIOW-MRVPVSSYSA-N -1 3 319.386 2.635 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000582289532 430285838 /nfs/dbraw/zinc/28/58/38/430285838.db2.gz RNFRAFBFOWCIOW-MRVPVSSYSA-N -1 3 319.386 2.635 20 0 DFADHM CC(C)(C)c1ccc2c(c1)CN(c1nc3[nH][n-]cc-3c(=N)n1)CC2 ZINC000544837830 430295890 /nfs/dbraw/zinc/29/58/90/430295890.db2.gz ZDXLJBINWNMALD-UHFFFAOYSA-N -1 3 322.416 2.577 20 0 DFADHM CCC[C@@]1(CO)CCN(c2c(C(=O)[O-])cnc3ccccc32)C1 ZINC000567983720 430300551 /nfs/dbraw/zinc/30/05/51/430300551.db2.gz PBNRLDKTGZZVAA-GOSISDBHSA-N -1 3 314.385 2.922 20 0 DFADHM COC(=O)c1sc2ccccc2c1CN(C)[C@H](C)C(=O)[O-] ZINC000567988549 430301816 /nfs/dbraw/zinc/30/18/16/430301816.db2.gz HPFHXFYRMXBUAP-SECBINFHSA-N -1 3 307.371 2.593 20 0 DFADHM C[C@@H]1CCN(CCOc2ccc(F)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000567988472 430302115 /nfs/dbraw/zinc/30/21/15/430302115.db2.gz FUSRMUBJJHPBPA-PWSUYJOCSA-N -1 3 315.772 2.901 20 0 DFADHM Cc1cccc2c1ncc(C)c2N1CCO[C@H](CC(=O)[O-])C1 ZINC000567985091 430302502 /nfs/dbraw/zinc/30/25/02/430302502.db2.gz KNPNLUNFPSHXSQ-CYBMUJFWSA-N -1 3 300.358 2.532 20 0 DFADHM CCC[C@H](C)S(=O)(=O)[N-]C1(c2noc(CC)n2)CCCC1 ZINC000568027148 430307890 /nfs/dbraw/zinc/30/78/90/430307890.db2.gz ITICSBXVATUUPA-NSHDSACASA-N -1 3 315.439 2.509 20 0 DFADHM C[C@H](C(=O)[O-])N(C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000568061708 430311716 /nfs/dbraw/zinc/31/17/16/430311716.db2.gz ONWDUGRPHPABNJ-GFCCVEGCSA-N -1 3 318.348 2.705 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000568073599 430312821 /nfs/dbraw/zinc/31/28/21/430312821.db2.gz GJASPLDVVQKNOJ-OAHLLOKOSA-N -1 3 315.772 2.792 20 0 DFADHM Cc1ccc(-c2noc(CN3C[C@@H](C)[C@@](C)(C(=O)[O-])C3)n2)cc1 ZINC000568072695 430313364 /nfs/dbraw/zinc/31/33/64/430313364.db2.gz LGBBIKGGWHCAQU-PXAZEXFGSA-N -1 3 315.373 2.588 20 0 DFADHM COc1ncc(CN(CCC(=O)[O-])CC(C)C)cc1Cl ZINC000568064369 430313942 /nfs/dbraw/zinc/31/39/42/430313942.db2.gz CBUUWKBPFYQCLQ-UHFFFAOYSA-N -1 3 300.786 2.676 20 0 DFADHM COC[C@]1(C(=O)[O-])CCCN(Cc2nc3ccccc3s2)C1 ZINC000568099787 430317382 /nfs/dbraw/zinc/31/73/82/430317382.db2.gz XQTWEJLTZBTFOG-INIZCTEOSA-N -1 3 320.414 2.610 20 0 DFADHM [O-]c1cccnc1CN1CCN(c2ccnc3ccccc32)CC1 ZINC000568178737 430327236 /nfs/dbraw/zinc/32/72/36/430327236.db2.gz WMQPBIBZELCXMJ-UHFFFAOYSA-N -1 3 320.396 2.658 20 0 DFADHM COc1cc(F)c(F)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568212132 430333266 /nfs/dbraw/zinc/33/32/66/430333266.db2.gz UNONJEDEGASLIY-UHFFFAOYSA-N -1 3 321.283 2.599 20 0 DFADHM Cc1ccc(CCCc2nc(-c3cc(=O)[n-]cn3)no2)s1 ZINC000582785466 430333776 /nfs/dbraw/zinc/33/37/76/430333776.db2.gz ISIAANIXAIDSKL-UHFFFAOYSA-N -1 3 302.359 2.777 20 0 DFADHM CN(CCCOCc1ccccc1)C(=O)c1cccc2[n-]nnc21 ZINC000545993464 430338668 /nfs/dbraw/zinc/33/86/68/430338668.db2.gz FCYVQUPHCARARH-UHFFFAOYSA-N -1 3 324.384 2.637 20 0 DFADHM CN(CCCOCc1ccccc1)C(=O)c1cccc2nn[n-]c21 ZINC000545993464 430338671 /nfs/dbraw/zinc/33/86/71/430338671.db2.gz FCYVQUPHCARARH-UHFFFAOYSA-N -1 3 324.384 2.637 20 0 DFADHM CN(CCCOCc1ccccc1)C(=O)c1cccc2n[n-]nc21 ZINC000545993464 430338674 /nfs/dbraw/zinc/33/86/74/430338674.db2.gz FCYVQUPHCARARH-UHFFFAOYSA-N -1 3 324.384 2.637 20 0 DFADHM CN(C[C@@H]1CCOC1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000582850623 430341754 /nfs/dbraw/zinc/34/17/54/430341754.db2.gz AFFTYHIKNWFZGH-ZANVPECISA-N -1 3 301.745 2.573 20 0 DFADHM CC(=O)N1CCc2c1cccc2NC(=O)c1ccc(C)cc1[O-] ZINC000546013642 430342380 /nfs/dbraw/zinc/34/23/80/430342380.db2.gz YCKGHQPWXQECHU-UHFFFAOYSA-N -1 3 310.353 2.862 20 0 DFADHM COc1ccc([N+](=O)[O-])cc1CN(C1CC1)C1(C(=O)[O-])CCC1 ZINC000568289251 430344143 /nfs/dbraw/zinc/34/41/43/430344143.db2.gz WJEIVKFBGHNINQ-UHFFFAOYSA-N -1 3 320.345 2.575 20 0 DFADHM OCc1nnc([N-]Cc2ccc(-c3ccc(Cl)cc3)o2)o1 ZINC000547673738 430411437 /nfs/dbraw/zinc/41/14/37/430411437.db2.gz UBTICJJAYSSPRE-UHFFFAOYSA-N -1 3 305.721 3.087 20 0 DFADHM CCC(C)(C)c1nnc([N-]Cc2nc3cc(C)ccc3n2C)o1 ZINC000641498939 430412128 /nfs/dbraw/zinc/41/21/28/430412128.db2.gz RUSWYGLHLJJUPS-UHFFFAOYSA-N -1 3 313.405 3.564 20 0 DFADHM O=C([O-])c1cccc(OCCN2CC[C@H](c3cccnc3)C2)c1 ZINC000569011301 430415521 /nfs/dbraw/zinc/41/55/21/430415521.db2.gz YUNGVFZYTDCABA-INIZCTEOSA-N -1 3 312.369 2.648 20 0 DFADHM CCNC(=O)c1cc([N-]C(=O)c2cnc(C3CC3)o2)c(C)s1 ZINC000641171668 430352632 /nfs/dbraw/zinc/35/26/32/430352632.db2.gz UJEGJPOXWJKBQU-UHFFFAOYSA-N -1 3 319.386 2.924 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC[C@H](F)C1 ZINC000582967473 430352848 /nfs/dbraw/zinc/35/28/48/430352848.db2.gz XITWQJNHEYFJDH-QWRGUYRKSA-N -1 3 309.385 2.799 20 0 DFADHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccoc1C(=O)[O-] ZINC000583030180 430357114 /nfs/dbraw/zinc/35/71/14/430357114.db2.gz KEIVSHAUUKMORT-NHYWBVRUSA-N -1 3 301.342 2.802 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000568419271 430358896 /nfs/dbraw/zinc/35/88/96/430358896.db2.gz BDBJPFRDDLKFKM-ZJUUUORDSA-N -1 3 319.748 2.592 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000568419271 430358900 /nfs/dbraw/zinc/35/89/00/430358900.db2.gz BDBJPFRDDLKFKM-ZJUUUORDSA-N -1 3 319.748 2.592 20 0 DFADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)NC1CCCC1 ZINC000583074495 430361153 /nfs/dbraw/zinc/36/11/53/430361153.db2.gz JGEUFPCGCPVHAI-JTQLQIEISA-N -1 3 321.446 2.740 20 0 DFADHM CN(Cc1ccc2c(c1)OCCO2)Cc1cc([O-])cc(F)c1 ZINC000546741536 430368591 /nfs/dbraw/zinc/36/85/91/430368591.db2.gz DTAJFMRBBSLODP-UHFFFAOYSA-N -1 3 303.333 2.935 20 0 DFADHM Cc1oc([C@H](C)N2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1C(=O)[O-] ZINC000583149661 430369014 /nfs/dbraw/zinc/36/90/14/430369014.db2.gz ZGVODKGIJZCMDM-GDLCADMTSA-N -1 3 305.374 2.848 20 0 DFADHM Cc1ncc(C=Cc2nc(-c3ccc4n[n-]nc4c3)no2)s1 ZINC000568581150 430371204 /nfs/dbraw/zinc/37/12/04/430371204.db2.gz ODTGVYVUAXLVCE-HYXAFXHYSA-N -1 3 310.342 2.943 20 0 DFADHM O=C([O-])C1(NCc2cn(-c3ccccc3)nn2)CCCCCC1 ZINC000583669137 430417440 /nfs/dbraw/zinc/41/74/40/430417440.db2.gz ODXCLAGJMRMLDG-UHFFFAOYSA-N -1 3 314.389 2.535 20 0 DFADHM C[C@@H]1[C@@H](C(=O)Nc2ccc(Br)cc2[O-])C1(F)F ZINC000547307451 430385192 /nfs/dbraw/zinc/38/51/92/430385192.db2.gz FVRRXSQDZAIZBE-ANLVUFKYSA-N -1 3 306.106 2.994 20 0 DFADHM COc1cc2c(cc1CNC[C@H](CC(C)C)C(=O)[O-])O[C@@H](C)C2 ZINC000583311724 430385274 /nfs/dbraw/zinc/38/52/74/430385274.db2.gz IIMNHSYBZTXYHE-WFASDCNBSA-N -1 3 321.417 2.855 20 0 DFADHM COC[C@]1(C(=O)[O-])CCCN(Cc2cccc(C(F)F)c2)C1 ZINC000568758765 430389220 /nfs/dbraw/zinc/38/92/20/430389220.db2.gz QVXQYSMIPGXQPC-INIZCTEOSA-N -1 3 313.344 2.937 20 0 DFADHM O=C([O-])c1ccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000583392816 430391333 /nfs/dbraw/zinc/39/13/33/430391333.db2.gz QULJEGLDEVYJDC-AAEUAGOBSA-N -1 3 323.439 2.716 20 0 DFADHM CC(C)c1csc(C[N-]S(=O)(=O)C[C@@]2(C)CC2(F)F)n1 ZINC000641380032 430392062 /nfs/dbraw/zinc/39/20/62/430392062.db2.gz CWNKXPWULYOMKW-LLVKDONJSA-N -1 3 324.418 2.731 20 0 DFADHM CCC[C@@H](C)S(=O)(=O)[N-]c1cc(C(=O)OC)c(F)cc1F ZINC000568829256 430395297 /nfs/dbraw/zinc/39/52/97/430395297.db2.gz RGFQFNUDASSLJH-MRVPVSSYSA-N -1 3 321.345 2.682 20 0 DFADHM Cc1ccc([O-])c(NC(=O)Cn2nc(C(F)F)cc2C2CC2)n1 ZINC000635868055 430399586 /nfs/dbraw/zinc/39/95/86/430399586.db2.gz DWWYKDHRECHVPT-UHFFFAOYSA-N -1 3 322.315 2.746 20 0 DFADHM CCc1cc2c(nc(C)nc2Sc2nnc(COC)[n-]2)s1 ZINC000641440794 430400653 /nfs/dbraw/zinc/40/06/53/430400653.db2.gz JUNHHCOPKIGJQR-UHFFFAOYSA-N -1 3 321.431 2.978 20 0 DFADHM CCc1cc2c(nc(C)nc2Sc2n[n-]c(COC)n2)s1 ZINC000641440794 430400657 /nfs/dbraw/zinc/40/06/57/430400657.db2.gz JUNHHCOPKIGJQR-UHFFFAOYSA-N -1 3 321.431 2.978 20 0 DFADHM COCc1nc(C(=O)[N-]c2cncc(Cl)c2Cl)co1 ZINC000547541075 430404563 /nfs/dbraw/zinc/40/45/63/430404563.db2.gz YPFNJJIBUMLWPD-UHFFFAOYSA-N -1 3 302.117 2.775 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1[O-] ZINC000568914440 430405443 /nfs/dbraw/zinc/40/54/43/430405443.db2.gz CMIGPWGLMOGZFN-CQSZACIVSA-N -1 3 317.385 2.816 20 0 DFADHM COc1ccc(CN(CCCC(=O)[O-])Cc2ccccc2)cn1 ZINC000583570079 430407436 /nfs/dbraw/zinc/40/74/36/430407436.db2.gz BLCSJJBNSIXPMT-UHFFFAOYSA-N -1 3 314.385 2.957 20 0 DFADHM O=C([O-])c1cnc2ccccc2c1N1CC[C@@H](CCCO)C1 ZINC000583567130 430408304 /nfs/dbraw/zinc/40/83/04/430408304.db2.gz IQWHQXFEHOAPGM-GFCCVEGCSA-N -1 3 300.358 2.532 20 0 DFADHM CC(C)(C[N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)C(F)(F)F ZINC000641479262 430409705 /nfs/dbraw/zinc/40/97/05/430409705.db2.gz LFZOELUYJKKMKF-MRVPVSSYSA-N -1 3 309.300 2.540 20 0 DFADHM C[C@@H]1[C@@H](c2nc(-c3cc(=O)[n-]cn3)no2)CCN1c1ccccc1 ZINC000568983342 430411197 /nfs/dbraw/zinc/41/11/97/430411197.db2.gz HDRNDIPAMCZPFL-YPMHNXCESA-N -1 3 323.356 2.615 20 0 DFADHM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(Oc2ccccc2)nn1 ZINC000583877786 430436224 /nfs/dbraw/zinc/43/62/24/430436224.db2.gz XXRIOWVUVSJWQE-IUODEOHRSA-N -1 3 313.357 2.564 20 0 DFADHM CCCCOc1cccc([N-]S(=O)(=O)C2(COC)CC2)c1 ZINC000641682073 430441080 /nfs/dbraw/zinc/44/10/80/430441080.db2.gz NTQARCNTKDSHNT-UHFFFAOYSA-N -1 3 313.419 2.786 20 0 DFADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc2cnccc2c1 ZINC000641690296 430444167 /nfs/dbraw/zinc/44/41/67/430444167.db2.gz LELIMBPGJQQQEO-JKSUJKDBSA-N -1 3 320.414 2.934 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000569330153 430444270 /nfs/dbraw/zinc/44/42/70/430444270.db2.gz 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COc1cccc(C(=O)N2CCC[C@@H](OC3CCC3)C2)c1[O-] ZINC000655276417 430949041 /nfs/dbraw/zinc/94/90/41/430949041.db2.gz HQRPQAGBHAJKQG-CYBMUJFWSA-N -1 3 305.374 2.575 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C12CCC2 ZINC000665322237 430898383 /nfs/dbraw/zinc/89/83/83/430898383.db2.gz IBZOIPUEZMWUPU-JKSUJKDBSA-N -1 3 317.385 2.672 20 0 DFADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCc2ncncc2C1 ZINC000655110420 430898564 /nfs/dbraw/zinc/89/85/64/430898564.db2.gz UFMZDWRJXIUHMJ-SECBINFHSA-N -1 3 303.749 2.579 20 0 DFADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCc2ncncc2C1 ZINC000655110421 430899373 /nfs/dbraw/zinc/89/93/73/430899373.db2.gz UFMZDWRJXIUHMJ-VIFPVBQESA-N -1 3 303.749 2.579 20 0 DFADHM CC(C)(C)CN(CC(=O)[O-])Cc1cnc2ccc(Cl)cn12 ZINC000665350247 430904202 /nfs/dbraw/zinc/90/42/02/430904202.db2.gz ISBJGLGSVZYIKP-UHFFFAOYSA-N -1 3 309.797 2.920 20 0 DFADHM CC(C)(C)CN(CC(=O)[O-])Cc1ccnn1-c1ccc(F)cc1 ZINC000665350756 430904341 /nfs/dbraw/zinc/90/43/41/430904341.db2.gz BRUPBFSEUHNGRN-UHFFFAOYSA-N -1 3 319.380 2.944 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CC[C@H](c3cc(C)ccn3)C2)c1 ZINC000655131435 430905594 /nfs/dbraw/zinc/90/55/94/430905594.db2.gz LNKSCPAIFWWGLO-ZDUSSCGKSA-N -1 3 312.369 2.734 20 0 DFADHM CC(=O)c1ccc(C(=O)NCC(C)(C)[C@@H]2CCCCO2)cc1[O-] ZINC000665361985 430910748 /nfs/dbraw/zinc/91/07/48/430910748.db2.gz YPZXDRQNHCQNJA-INIZCTEOSA-N -1 3 319.401 2.920 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCc3ncncc3C2)c1[O-] ZINC000648842153 430910894 /nfs/dbraw/zinc/91/08/94/430910894.db2.gz HVZWFMCICZEUBR-SNVBAGLBSA-N -1 3 317.776 2.888 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CC(CC(F)(F)F)C2)cc1[O-] ZINC000665364998 430912675 /nfs/dbraw/zinc/91/26/75/430912675.db2.gz HXEITKMGVBEDOZ-UHFFFAOYSA-N -1 3 301.264 2.619 20 0 DFADHM CN(C)c1cc(F)cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000655165594 430918990 /nfs/dbraw/zinc/91/89/90/430918990.db2.gz SLJXIVKGPWGOMI-UHFFFAOYSA-N -1 3 316.336 2.517 20 0 DFADHM Cn1ccnc1[C@H]1C[C@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000648870642 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ZINC000436635876 297019753 /nfs/dbraw/zinc/01/97/53/297019753.db2.gz OXNAATBCYNNTOH-UHFFFAOYSA-N -1 3 315.369 2.826 20 0 DFADHM CCC[C@H](NC(=O)c1cccc(OC)c1[O-])C(=O)OC(C)(C)C ZINC000436638748 297019921 /nfs/dbraw/zinc/01/99/21/297019921.db2.gz GWZTZYXNKPRCPJ-LBPRGKRZSA-N -1 3 323.389 2.641 20 0 DFADHM CO[C@@](C)(CNC(=O)c1cc2c(cc1[O-])CCCC2)C1CC1 ZINC000436642008 297020257 /nfs/dbraw/zinc/02/02/57/297020257.db2.gz YORDZBSZQBDGGO-SFHVURJKSA-N -1 3 303.402 2.816 20 0 DFADHM Cc1cccc(C(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000436645774 297020322 /nfs/dbraw/zinc/02/03/22/297020322.db2.gz CSXYFOZLGOKUJL-IPQOISQHSA-N -1 3 317.410 2.929 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)c2c([O-])cccc2O)C12CCCCC2 ZINC000436647984 297020793 /nfs/dbraw/zinc/02/07/93/297020793.db2.gz OHTHFKMFRFPWOJ-GJZGRUSLSA-N -1 3 319.401 2.956 20 0 DFADHM C[C@H]1CCc2nc(NC(=O)c3c([O-])cccc3O)sc2C1 ZINC000436646348 297021080 /nfs/dbraw/zinc/02/10/80/297021080.db2.gz HPNYZPUMSBKMBI-QMMMGPOBSA-N -1 3 304.371 2.931 20 0 DFADHM CC1=CCN(CCNC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000436650606 297021627 /nfs/dbraw/zinc/02/16/27/297021627.db2.gz XDVRXFWNOHGCJW-UHFFFAOYSA-N -1 3 310.397 2.927 20 0 DFADHM CCCN(CCN1CCCCC1)C(=O)c1cc(F)ccc1[O-] ZINC000436653030 297022054 /nfs/dbraw/zinc/02/20/54/297022054.db2.gz BWPIKGLIXSCBFL-UHFFFAOYSA-N -1 3 308.397 2.869 20 0 DFADHM CN(CC1CCOCC1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436676351 297024109 /nfs/dbraw/zinc/02/41/09/297024109.db2.gz OOSLPAZQULZBQZ-UHFFFAOYSA-N -1 3 303.402 2.770 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCc3cccc(O)c3)c([O-])c2O1 ZINC000436680955 297024887 /nfs/dbraw/zinc/02/48/87/297024887.db2.gz MBKUQJYGMKVFIL-UHFFFAOYSA-N -1 3 313.353 2.741 20 0 DFADHM COc1ccc(C(=O)NCC2(C(F)(F)F)CCC2)c([O-])c1 ZINC000436684872 297024923 /nfs/dbraw/zinc/02/49/23/297024923.db2.gz IDWQMOUNDBQTJB-UHFFFAOYSA-N -1 3 303.280 2.863 20 0 DFADHM COc1cc(CNC(=O)c2ccc(C(C)C)cc2[O-])ccn1 ZINC000436686762 297025003 /nfs/dbraw/zinc/02/50/03/297025003.db2.gz FYCJLAKDKBRFDC-UHFFFAOYSA-N -1 3 300.358 2.849 20 0 DFADHM CCCCNC(=O)C1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC000436685446 297025179 /nfs/dbraw/zinc/02/51/79/297025179.db2.gz CDKQLJMFRLHORS-UHFFFAOYSA-N -1 3 318.417 2.741 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000436685763 297025241 /nfs/dbraw/zinc/02/52/41/297025241.db2.gz BVZPDMXKCGDQHH-ZDUSSCGKSA-N -1 3 323.352 2.535 20 0 DFADHM C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])N(C)C1CC1 ZINC000436761882 297032200 /nfs/dbraw/zinc/03/22/00/297032200.db2.gz ATNNJTPHYNQDQG-SECBINFHSA-N -1 3 316.323 2.624 20 0 DFADHM CCN1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436749110 297031381 /nfs/dbraw/zinc/03/13/81/297031381.db2.gz AFTIXUYXDWTXCS-NSHDSACASA-N -1 3 316.323 2.625 20 0 DFADHM O=C(NC[C@@H]1CCCO1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436755512 297031809 /nfs/dbraw/zinc/03/18/09/297031809.db2.gz NKCYAJXRAMHRNZ-INIZCTEOSA-N -1 3 311.381 2.892 20 0 DFADHM Cc1ccc(C(=O)NCCc2ccc3c[nH]nc3c2)c([O-])c1C ZINC000436710737 297027329 /nfs/dbraw/zinc/02/73/29/297027329.db2.gz YDERZCRAXPCVIN-UHFFFAOYSA-N -1 3 309.369 2.858 20 0 DFADHM COc1ccc2c(c1)OCCN(C(=O)c1ccc([O-])c(C)c1)C2 ZINC000436712926 297027404 /nfs/dbraw/zinc/02/74/04/297027404.db2.gz CJZPQUNWAPKVNL-UHFFFAOYSA-N -1 3 313.353 2.744 20 0 DFADHM CCCNC(=O)C1(NC(=O)c2ccc(C)cc2[O-])CCCCC1 ZINC000436712353 297027525 /nfs/dbraw/zinc/02/75/25/297027525.db2.gz NPKALMFKHWVXJT-UHFFFAOYSA-N -1 3 318.417 2.660 20 0 DFADHM CCCNC(=O)C1(NC(=O)c2cccc(C)c2[O-])CCCCC1 ZINC000436710953 297027533 /nfs/dbraw/zinc/02/75/33/297027533.db2.gz BLKMLQCJGGNTMM-UHFFFAOYSA-N -1 3 318.417 2.660 20 0 DFADHM C[C@@H]1CCC[C@@H](CN2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436718289 297027717 /nfs/dbraw/zinc/02/77/17/297027717.db2.gz KGARGGPYXTZEFT-HZPDHXFCSA-N -1 3 316.445 2.976 20 0 DFADHM CC[C@H](C)N[C@@H](CNC(=O)c1c([O-])cccc1F)c1ccco1 ZINC000436714660 297027902 /nfs/dbraw/zinc/02/79/02/297027902.db2.gz MVNCOWIBJMGTMB-AAEUAGOBSA-N -1 3 320.364 2.984 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCN(C)[C@H](C(C)C)C2)c([O-])c1 ZINC000436727811 297028894 /nfs/dbraw/zinc/02/88/94/297028894.db2.gz CSBNPKWFMJBHIA-INIZCTEOSA-N -1 3 304.434 2.928 20 0 DFADHM CC[C@H](C[C@H](C)CO)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436730468 297029410 /nfs/dbraw/zinc/02/94/10/297029410.db2.gz GWGDWVUDFVIVFL-SWLSCSKDSA-N -1 3 305.418 2.798 20 0 DFADHM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2cc(C)ccc2[O-])[nH]1 ZINC000436729385 297029519 /nfs/dbraw/zinc/02/95/19/297029519.db2.gz BAJPZPNRRHOSPT-MNOVXSKESA-N -1 3 302.378 2.823 20 0 DFADHM C[C@H]1CCC[C@]1(O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436731075 297029556 /nfs/dbraw/zinc/02/95/56/297029556.db2.gz ZRCILOHTOGZXFM-SGTLLEGYSA-N -1 3 303.402 2.552 20 0 DFADHM O=C(N[C@@H]1CCCCC[C@H]1O)c1ccc2c(c1[O-])CCCC2 ZINC000436740793 297030433 /nfs/dbraw/zinc/03/04/33/297030433.db2.gz RKNNSMMQTXTMKS-HZPDHXFCSA-N -1 3 303.402 2.694 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2c3ccc(F)cc3O[C@H]2C)c([O-])c1 ZINC000436745769 297030971 /nfs/dbraw/zinc/03/09/71/297030971.db2.gz VVSJZWPKHSEKTN-FVMDXXJSSA-N -1 3 317.316 2.792 20 0 DFADHM COC(=O)c1c(C)cccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000436759278 297032285 /nfs/dbraw/zinc/03/22/85/297032285.db2.gz WDFXYKUHNUTUGO-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM COC(=O)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)s1 ZINC000436770593 297033453 /nfs/dbraw/zinc/03/34/53/297033453.db2.gz RTWCMZPNHKUDDT-UHFFFAOYSA-N -1 3 302.311 2.957 20 0 DFADHM CCCCN(C)CCNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436782071 297033919 /nfs/dbraw/zinc/03/39/19/297033919.db2.gz GSYPNQKMHJQZMR-UHFFFAOYSA-N -1 3 302.777 2.646 20 0 DFADHM C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H](C)C1 ZINC000436793662 297034760 /nfs/dbraw/zinc/03/47/60/297034760.db2.gz RWTODICIWIDIIQ-ZOWXZIJZSA-N -1 3 322.836 2.848 20 0 DFADHM CCc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)c([O-])c1 ZINC000436803027 297035300 /nfs/dbraw/zinc/03/53/00/297035300.db2.gz LUZVSEVZHMYKGM-CYBMUJFWSA-N -1 3 313.353 2.524 20 0 DFADHM Cc1ccc2c(c1)nc(CNC(=O)c1ccc([O-])c(C)c1)n2C ZINC000436824040 297037436 /nfs/dbraw/zinc/03/74/36/297037436.db2.gz FHEBXYXYHFXWRW-UHFFFAOYSA-N -1 3 309.369 2.826 20 0 DFADHM C[C@H]1[C@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])CCCN1C ZINC000436824788 297037459 /nfs/dbraw/zinc/03/74/59/297037459.db2.gz DBGRIWGLICRTQE-GZMMTYOYSA-N -1 3 317.216 2.912 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)c([O-])c1 ZINC000436828656 297037974 /nfs/dbraw/zinc/03/79/74/297037974.db2.gz JBEDJBMXLXSMCL-GUYCJALGSA-N -1 3 313.397 2.677 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](C)[C@H](O)Cc2ccccc2)c([O-])c1 ZINC000436828659 297038010 /nfs/dbraw/zinc/03/80/10/297038010.db2.gz JBEDJBMXLXSMCL-SUMWQHHRSA-N -1 3 313.397 2.677 20 0 DFADHM CCc1ccc(C(=O)NC(C)(C)C(=O)NCC(C)(C)C)c([O-])c1 ZINC000436831857 297038426 /nfs/dbraw/zinc/03/84/26/297038426.db2.gz HERJOBYETDTMNA-UHFFFAOYSA-N -1 3 320.433 2.625 20 0 DFADHM CCOC(=O)CC(C)(C)N(C)C(=O)c1ccc(CC)cc1[O-] ZINC000436833206 297038512 /nfs/dbraw/zinc/03/85/12/297038512.db2.gz UQWYBOREYVPWDU-UHFFFAOYSA-N -1 3 307.390 2.758 20 0 DFADHM Cn1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436834781 297038580 /nfs/dbraw/zinc/03/85/80/297038580.db2.gz ARKQDRYYPKJEKP-UHFFFAOYSA-N -1 3 321.380 2.647 20 0 DFADHM Cc1ccc(C(=O)NC[C@H](O)CCc2ccccc2)c([O-])c1C ZINC000436842441 297039140 /nfs/dbraw/zinc/03/91/40/297039140.db2.gz WMIFMGGSICDTMW-MRXNPFEDSA-N -1 3 313.397 2.733 20 0 DFADHM C[C@@]1(NC(=O)c2cc3c(cc2[O-])CCCC3)CCO[C@@H]1C1CC1 ZINC000436841235 297039260 /nfs/dbraw/zinc/03/92/60/297039260.db2.gz TWIQILMFACFEFV-IEBWSBKVSA-N -1 3 315.413 2.958 20 0 DFADHM C[C@]1(NC(=O)c2cc3c(cc2[O-])CCCC3)CCO[C@H]1C1CC1 ZINC000436841234 297039484 /nfs/dbraw/zinc/03/94/84/297039484.db2.gz TWIQILMFACFEFV-HKUYNNGSSA-N -1 3 315.413 2.958 20 0 DFADHM CC(=O)NC1CCC(N(C)C(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000436843465 297039526 /nfs/dbraw/zinc/03/95/26/297039526.db2.gz ZSLQIYYWLALTLW-UHFFFAOYSA-N -1 3 318.417 2.528 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc(-c3c[nH]nn3)c2)c([O-])c1 ZINC000436845718 297039644 /nfs/dbraw/zinc/03/96/44/297039644.db2.gz AAULIAONVXVSHZ-UHFFFAOYSA-N -1 3 308.341 2.992 20 0 DFADHM CC[C@H](CCO)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436844776 297039842 /nfs/dbraw/zinc/03/98/42/297039842.db2.gz APVPAARYKGSRHV-MRXNPFEDSA-N -1 3 313.397 2.874 20 0 DFADHM COc1cccc(C(=O)NCC2(C)CCC(OC)CC2)c1[O-] ZINC000436851234 297040157 /nfs/dbraw/zinc/04/01/57/297040157.db2.gz KOIGLMUIJNIZLS-UHFFFAOYSA-N -1 3 307.390 2.726 20 0 DFADHM COc1cccc(C(=O)N[C@H]2CSc3ccccc32)c1[O-] ZINC000436853771 297040232 /nfs/dbraw/zinc/04/02/32/297040232.db2.gz SJUOBXXUJKASEG-LBPRGKRZSA-N -1 3 301.367 2.978 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCc3sccc3C2)cc1[O-] ZINC000436871476 297041111 /nfs/dbraw/zinc/04/11/11/297041111.db2.gz UDRYCNCOJITGKR-UHFFFAOYSA-N -1 3 301.367 2.855 20 0 DFADHM CCc1noc(C)c1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436901357 297043579 /nfs/dbraw/zinc/04/35/79/297043579.db2.gz MASYDGHLBKETFA-UHFFFAOYSA-N -1 3 306.318 2.521 20 0 DFADHM Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)ccc1[O-] ZINC000436898905 297042871 /nfs/dbraw/zinc/04/28/71/297042871.db2.gz BBXJTIMAVHRHRR-JTQLQIEISA-N -1 3 312.325 2.672 20 0 DFADHM COc1cccc(CNC(=O)c2ccc([O-])c(C)c2)c1OC ZINC000436902586 297043402 /nfs/dbraw/zinc/04/34/02/297043402.db2.gz QMFIWRXJDGDOCX-UHFFFAOYSA-N -1 3 301.342 2.648 20 0 DFADHM O=C(NCC1(CO)CCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436916197 297044351 /nfs/dbraw/zinc/04/43/51/297044351.db2.gz SGLDZRNJUJICSM-UHFFFAOYSA-N -1 3 303.402 2.554 20 0 DFADHM COC(=O)C1(NC(=O)c2ccc([O-])c(C)c2)CCC(C)CC1 ZINC000436923562 297044926 /nfs/dbraw/zinc/04/49/26/297044926.db2.gz COIDAOKTKZKKJM-UHFFFAOYSA-N -1 3 305.374 2.552 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)ccc1[O-] ZINC000436926663 297045502 /nfs/dbraw/zinc/04/55/02/297045502.db2.gz ODBFLHWOPUSIPD-NSHDSACASA-N -1 3 310.353 2.686 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1[O-] ZINC000436939799 297046355 /nfs/dbraw/zinc/04/63/55/297046355.db2.gz RBRMGEAZMHEPAH-YTEVENLXSA-N -1 3 317.410 2.929 20 0 DFADHM Cc1ccc(C(=O)NCCc2nn(C)c3ccccc23)c([O-])c1C ZINC000436935988 297046425 /nfs/dbraw/zinc/04/64/25/297046425.db2.gz 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/nfs/dbraw/zinc/04/89/24/297048924.db2.gz IYLUZOWTUWXWIF-NSHDSACASA-N -1 3 312.369 2.863 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2nc(C)no2)c([O-])c1 ZINC000436971537 297048960 /nfs/dbraw/zinc/04/89/60/297048960.db2.gz KJTVNKSDGDJNSQ-JTQLQIEISA-N -1 3 319.361 2.754 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)c([O-])c1 ZINC000436979237 297049479 /nfs/dbraw/zinc/04/94/79/297049479.db2.gz LEEIQHUUMZYRGK-ZDUSSCGKSA-N -1 3 318.417 2.538 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](C)c2cn[nH]c2)c([O-])c1 ZINC000436986527 297050123 /nfs/dbraw/zinc/05/01/23/297050123.db2.gz KBMAQQSVCBZBFY-LLVKDONJSA-N -1 3 303.362 2.785 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@@H](C2CC2)O1 ZINC000436995094 297051221 /nfs/dbraw/zinc/05/12/21/297051221.db2.gz CFDWHENVQCOKKT-PXAZEXFGSA-N -1 3 315.413 2.911 20 0 DFADHM Cc1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)c([O-])c1 ZINC000436996351 297051694 /nfs/dbraw/zinc/05/16/94/297051694.db2.gz KJRGBGJEKUNNCJ-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM 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CCCN1C[C@@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])CC1=O ZINC000412140200 295593105 /nfs/dbraw/zinc/59/31/05/295593105.db2.gz WSHGFIAXLOTTFX-JTQLQIEISA-N -1 3 310.781 2.551 20 0 DFADHM CC(=O)c1ccc(C(=O)NCc2ncc(C(C)(C)C)o2)cc1[O-] ZINC000412167228 295596051 /nfs/dbraw/zinc/59/60/51/295596051.db2.gz WIGPVRKUKRCWOF-UHFFFAOYSA-N -1 3 316.357 2.810 20 0 DFADHM CCOCCC1(CNC(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000412212424 295601267 /nfs/dbraw/zinc/60/12/67/295601267.db2.gz VMJMOMXANHLDGY-UHFFFAOYSA-N -1 3 305.374 2.531 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2C2CCOCC2)cc1[O-] ZINC000412249818 295605198 /nfs/dbraw/zinc/60/51/98/295605198.db2.gz UZXQQJNFDYPNEU-INIZCTEOSA-N -1 3 317.385 2.626 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H](C(C)C)[C@@H](CO)C(C)C)cc1[O-] ZINC000412381390 295617739 /nfs/dbraw/zinc/61/77/39/295617739.db2.gz TWEHYKWSKAXLOD-RDJZCZTQSA-N -1 3 321.417 2.614 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCO[C@H](C2CCC2)C1 ZINC000412436617 295622526 /nfs/dbraw/zinc/62/25/26/295622526.db2.gz CGPOXRMNAPGUQJ-SFHVURJKSA-N -1 3 315.413 2.912 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCCO[C@@H](CF)C1 ZINC000412453923 295625026 /nfs/dbraw/zinc/62/50/26/295625026.db2.gz SIXWJRVVZBHQEK-JTQLQIEISA-N -1 3 321.270 2.612 20 0 DFADHM CCn1ccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)n1 ZINC000412477965 295627571 /nfs/dbraw/zinc/62/75/71/295627571.db2.gz WOUKTJNBKIBVMX-UHFFFAOYSA-N -1 3 313.279 2.557 20 0 DFADHM CC[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)[C@@H](O)C(C)C ZINC000412720378 295650782 /nfs/dbraw/zinc/65/07/82/295650782.db2.gz OIJDLFFNJLXMIM-OLZOCXBDSA-N -1 3 319.323 2.936 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)[C@H](C)[C@H](C)O1 ZINC000438395366 297091447 /nfs/dbraw/zinc/09/14/47/297091447.db2.gz JUCMUSXWBMBCIM-UTUOFQBUSA-N -1 3 319.401 2.744 20 0 DFADHM CCC[C@]1(C)C(=O)NCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000438589085 297100446 /nfs/dbraw/zinc/10/04/46/297100446.db2.gz NMPRALDBJRQUJI-GOSISDBHSA-N -1 3 318.417 2.646 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)c2ccc3nccnc3n2)c1[O-] ZINC000438922255 297107100 /nfs/dbraw/zinc/10/71/00/297107100.db2.gz YTIFEHHGXGAKBD-UHFFFAOYSA-N -1 3 314.732 2.945 20 0 DFADHM C[C@H](NC(=O)c1ccc2n[n-]nc2c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438976795 297109971 /nfs/dbraw/zinc/10/99/71/297109971.db2.gz IYHSSUMVOHKZNH-PSVSLLHZSA-N -1 3 322.368 2.641 20 0 DFADHM Cc1ccc2c(CCNC(=O)c3ccc(O)cc3[O-])c[nH]c2c1 ZINC000439062995 297113794 /nfs/dbraw/zinc/11/37/94/297113794.db2.gz ZMZCNCLKXRYUAU-UHFFFAOYSA-N -1 3 310.353 2.860 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cncs1 ZINC000439204322 297118691 /nfs/dbraw/zinc/11/86/91/297118691.db2.gz JGMSWKDOPSUOLW-LURJTMIESA-N -1 3 322.333 2.600 20 0 DFADHM CSCCCN(C)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000439554427 297131975 /nfs/dbraw/zinc/13/19/75/297131975.db2.gz YTEXHWPRWSBFTL-UHFFFAOYSA-N -1 3 318.442 2.970 20 0 DFADHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440400904 297151677 /nfs/dbraw/zinc/15/16/77/297151677.db2.gz UUGBNSXDLAHYRV-LLVKDONJSA-N -1 3 321.389 2.757 20 0 DFADHM 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C[C@@H]1CC[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC000448935535 297380984 /nfs/dbraw/zinc/38/09/84/297380984.db2.gz ITPWDOJMJAXXOJ-JMSVASOKSA-N -1 3 313.405 2.555 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC000448935535 297380985 /nfs/dbraw/zinc/38/09/85/297380985.db2.gz ITPWDOJMJAXXOJ-JMSVASOKSA-N -1 3 313.405 2.555 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@@H]1c1nccs1 ZINC000034774727 304527287 /nfs/dbraw/zinc/52/72/87/304527287.db2.gz XLOGXLNWHRPHEN-GFCCVEGCSA-N -1 3 304.371 2.922 20 0 DFADHM CO[C@H](C)c1nc(CNC(=O)Cc2ccc([O-])c(F)c2)cs1 ZINC000450075688 297584496 /nfs/dbraw/zinc/58/44/96/297584496.db2.gz IMXBEHXUOIXVFO-SECBINFHSA-N -1 3 324.377 2.554 20 0 DFADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc2n(n1)CCC2 ZINC000450093411 297586082 /nfs/dbraw/zinc/58/60/82/297586082.db2.gz YPBOZGAIERFAHN-UHFFFAOYSA-N -1 3 311.263 2.806 20 0 DFADHM CC[C@@H](CCO)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450180731 297595513 /nfs/dbraw/zinc/59/55/13/297595513.db2.gz 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313.357 2.606 20 0 DFADHM O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1csc(=O)[n-]1 ZINC000684267243 546184764 /nfs/dbraw/zinc/18/47/64/546184764.db2.gz DUKUUGAEJIHUIK-UHFFFAOYSA-N -1 3 321.789 2.956 20 0 DFADHM CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)[C@@H]1CCCN(C)C1 ZINC000684875709 546296382 /nfs/dbraw/zinc/29/63/82/546296382.db2.gz JYWKFJRFBIBTPB-LLVKDONJSA-N -1 3 316.323 2.577 20 0 DFADHM CCN(CC(=O)Nc1c(C)cccc1C)Cc1ncccc1[O-] ZINC000685419320 546346283 /nfs/dbraw/zinc/34/62/83/546346283.db2.gz RAXXEGFPAAFYMO-UHFFFAOYSA-N -1 3 313.401 2.865 20 0 DFADHM COc1cccc2c(C(=O)Nc3cc(C(C)(C)C)[nH]n3)[n-]nc21 ZINC000685424519 546346860 /nfs/dbraw/zinc/34/68/60/546346860.db2.gz LOUJEVSTONWTBS-UHFFFAOYSA-N -1 3 313.361 2.844 20 0 DFADHM COc1cccc2c(C(=O)Nc3cc(C(C)(C)C)[nH]n3)n[n-]c21 ZINC000685424519 546346861 /nfs/dbraw/zinc/34/68/61/546346861.db2.gz LOUJEVSTONWTBS-UHFFFAOYSA-N -1 3 313.361 2.844 20 0 DFADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccnc(SC)c1 ZINC000685458338 546353276 /nfs/dbraw/zinc/35/32/76/546353276.db2.gz FUWAJBGJNGKMKO-UHFFFAOYSA-N -1 3 314.370 2.941 20 0 DFADHM COc1cccc2c(C(=O)Nc3ccnc(SC)c3)n[n-]c21 ZINC000685458338 546353282 /nfs/dbraw/zinc/35/32/82/546353282.db2.gz FUWAJBGJNGKMKO-UHFFFAOYSA-N -1 3 314.370 2.941 20 0 DFADHM Cc1sc(C(N)=O)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000685789269 546390616 /nfs/dbraw/zinc/39/06/16/546390616.db2.gz FEYVDBWRYSUPSP-UHFFFAOYSA-N -1 3 310.762 2.767 20 0 DFADHM [O-]c1ccc(F)c(CNc2nncn2Cc2ccccc2)c1F ZINC000685915728 546409131 /nfs/dbraw/zinc/40/91/31/546409131.db2.gz OXCQZEIVYNRPTJ-UHFFFAOYSA-N -1 3 316.311 2.922 20 0 DFADHM O=C(OCCF)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738223802 598824358 /nfs/dbraw/zinc/82/43/58/598824358.db2.gz XAAPEXLMNKIVBC-UHFFFAOYSA-N -1 3 312.304 2.660 20 0 DFADHM O=C(OCCF)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738223802 598824359 /nfs/dbraw/zinc/82/43/59/598824359.db2.gz XAAPEXLMNKIVBC-UHFFFAOYSA-N -1 3 312.304 2.660 20 0 DFADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1Cl ZINC000820431130 599390255 /nfs/dbraw/zinc/39/02/55/599390255.db2.gz AWHDKLIFUSQMOB-SECBINFHSA-N -1 3 303.753 2.964 20 0 DFADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1Cl ZINC000820431130 599390258 /nfs/dbraw/zinc/39/02/58/599390258.db2.gz AWHDKLIFUSQMOB-SECBINFHSA-N -1 3 303.753 2.964 20 0 DFADHM CC(C)[C@@H](C)CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735700991 598855235 /nfs/dbraw/zinc/85/52/35/598855235.db2.gz ISVROVXZVBLJIZ-QMMMGPOBSA-N -1 3 314.315 2.985 20 0 DFADHM CC(C)[C@@H](C)CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735700991 598855237 /nfs/dbraw/zinc/85/52/37/598855237.db2.gz ISVROVXZVBLJIZ-QMMMGPOBSA-N -1 3 314.315 2.985 20 0 DFADHM COC(=O)[C@H](Nc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896305 598878186 /nfs/dbraw/zinc/87/81/86/598878186.db2.gz HZTFAUOTKKBXEH-OAHLLOKOSA-N -1 3 323.356 2.501 20 0 DFADHM COC(=O)[C@H](Nc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896305 598878188 /nfs/dbraw/zinc/87/81/88/598878188.db2.gz HZTFAUOTKKBXEH-OAHLLOKOSA-N -1 3 323.356 2.501 20 0 DFADHM CCC(CC)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736336645 598881398 /nfs/dbraw/zinc/88/13/98/598881398.db2.gz FJJPVUAEOGJHOU-NSHDSACASA-N -1 3 318.377 2.613 20 0 DFADHM CCC(CC)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736336645 598881399 /nfs/dbraw/zinc/88/13/99/598881399.db2.gz FJJPVUAEOGJHOU-NSHDSACASA-N -1 3 318.377 2.613 20 0 DFADHM CC[C@@H](O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736379824 598895576 /nfs/dbraw/zinc/89/55/76/598895576.db2.gz DSQRKFXSNWKFBK-MRXNPFEDSA-N -1 3 310.357 2.889 20 0 DFADHM CC[C@@H](O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736379824 598895577 /nfs/dbraw/zinc/89/55/77/598895577.db2.gz DSQRKFXSNWKFBK-MRXNPFEDSA-N -1 3 310.357 2.889 20 0 DFADHM CC(C)N(C(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC000735851299 598940652 /nfs/dbraw/zinc/94/06/52/598940652.db2.gz PIHREQNJRBRPMB-KHPPLWFESA-N -1 3 311.389 2.669 20 0 DFADHM CC(C)N(C(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC000735851299 598940654 /nfs/dbraw/zinc/94/06/54/598940654.db2.gz PIHREQNJRBRPMB-KHPPLWFESA-N -1 3 311.389 2.669 20 0 DFADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCC1CC1 ZINC000735875039 598989154 /nfs/dbraw/zinc/98/91/54/598989154.db2.gz OUBMRNVNFFWSMN-UHFFFAOYSA-N -1 3 313.405 2.794 20 0 DFADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCC1CC1 ZINC000735875039 598989155 /nfs/dbraw/zinc/98/91/55/598989155.db2.gz OUBMRNVNFFWSMN-UHFFFAOYSA-N -1 3 313.405 2.794 20 0 DFADHM CCN(C(=O)CCC1CC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501232 598989178 /nfs/dbraw/zinc/98/91/78/598989178.db2.gz BEIPFUHWFLWFEQ-GFCCVEGCSA-N -1 3 313.405 2.966 20 0 DFADHM CCN(C(=O)CCC1CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501232 598989179 /nfs/dbraw/zinc/98/91/79/598989179.db2.gz BEIPFUHWFLWFEQ-GFCCVEGCSA-N -1 3 313.405 2.966 20 0 DFADHM CC[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736401899 599012663 /nfs/dbraw/zinc/01/26/63/599012663.db2.gz ZUBLKEPMTDRARH-DGCLKSJQSA-N -1 3 314.393 2.957 20 0 DFADHM CC[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736401899 599012665 /nfs/dbraw/zinc/01/26/65/599012665.db2.gz ZUBLKEPMTDRARH-DGCLKSJQSA-N -1 3 314.393 2.957 20 0 DFADHM CCc1nc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000736703777 599326962 /nfs/dbraw/zinc/32/69/62/599326962.db2.gz GIDXZWKVWUXVMU-VIFPVBQESA-N -1 3 316.390 2.807 20 0 DFADHM CCc1nc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000736703777 599326965 /nfs/dbraw/zinc/32/69/65/599326965.db2.gz GIDXZWKVWUXVMU-VIFPVBQESA-N -1 3 316.390 2.807 20 0 DFADHM Cc1c(NCc2cccnc2Cl)cccc1-c1nnn[n-]1 ZINC000822122570 607257471 /nfs/dbraw/zinc/25/74/71/607257471.db2.gz OGOFSLPHZWLMOB-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1c(NCc2cccnc2Cl)cccc1-c1nn[n-]n1 ZINC000822122570 607257472 /nfs/dbraw/zinc/25/74/72/607257472.db2.gz OGOFSLPHZWLMOB-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)Cc1cccs1 ZINC000820274070 599040633 /nfs/dbraw/zinc/04/06/33/599040633.db2.gz CXAZUXAXSMEKHH-SNVBAGLBSA-N -1 3 300.391 2.614 20 0 DFADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)Cc1cccs1 ZINC000820274070 599040635 /nfs/dbraw/zinc/04/06/35/599040635.db2.gz CXAZUXAXSMEKHH-SNVBAGLBSA-N -1 3 300.391 2.614 20 0 DFADHM C[C@H](C1CC1)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735963715 599043213 /nfs/dbraw/zinc/04/32/13/599043213.db2.gz KOIXMLUIPRVWPS-SSDOTTSWSA-N -1 3 312.299 2.515 20 0 DFADHM C[C@H](C1CC1)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735963715 599043216 /nfs/dbraw/zinc/04/32/16/599043216.db2.gz KOIXMLUIPRVWPS-SSDOTTSWSA-N -1 3 312.299 2.515 20 0 DFADHM COC(C)(C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000821672496 599045568 /nfs/dbraw/zinc/04/55/68/599045568.db2.gz MZDSIMDCAZZPBA-QMMMGPOBSA-N -1 3 310.789 2.531 20 0 DFADHM COC(C)(C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000821672496 599045571 /nfs/dbraw/zinc/04/55/71/599045571.db2.gz MZDSIMDCAZZPBA-QMMMGPOBSA-N -1 3 310.789 2.531 20 0 DFADHM CN(Cc1ccoc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736830632 599046850 /nfs/dbraw/zinc/04/68/50/599046850.db2.gz ZQIACTRQZCJNOV-UHFFFAOYSA-N -1 3 324.266 2.510 20 0 DFADHM CN(Cc1ccoc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736830632 599046853 /nfs/dbraw/zinc/04/68/53/599046853.db2.gz ZQIACTRQZCJNOV-UHFFFAOYSA-N -1 3 324.266 2.510 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H]2CCC[C@H]21 ZINC000822563962 599053750 /nfs/dbraw/zinc/05/37/50/599053750.db2.gz SCRQMVWNADLRLH-JOYOIKCWSA-N -1 3 304.785 2.684 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H]2CCC[C@H]21 ZINC000822563962 599053753 /nfs/dbraw/zinc/05/37/53/599053753.db2.gz SCRQMVWNADLRLH-JOYOIKCWSA-N -1 3 304.785 2.684 20 0 DFADHM C[C@H]1C[C@H](c2ccccc2)CN1c1ncccc1-c1nnn[n-]1 ZINC000736233998 599060440 /nfs/dbraw/zinc/06/04/40/599060440.db2.gz HNZIILIQMYUKEX-JSGCOSHPSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1C[C@H](c2ccccc2)CN1c1ncccc1-c1nn[n-]n1 ZINC000736233998 599060443 /nfs/dbraw/zinc/06/04/43/599060443.db2.gz HNZIILIQMYUKEX-JSGCOSHPSA-N -1 3 306.373 2.644 20 0 DFADHM Clc1ccc([C@@H]2CCN2c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822574396 599063240 /nfs/dbraw/zinc/06/32/40/599063240.db2.gz UFQOMGALWAKJLU-ZDUSSCGKSA-N -1 3 312.764 2.867 20 0 DFADHM Clc1ccc([C@@H]2CCN2c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822574396 599063243 /nfs/dbraw/zinc/06/32/43/599063243.db2.gz UFQOMGALWAKJLU-ZDUSSCGKSA-N -1 3 312.764 2.867 20 0 DFADHM CN(C)c1cccc(CSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000736781038 599068057 /nfs/dbraw/zinc/06/80/57/599068057.db2.gz VJUNBACHGSPIFK-UHFFFAOYSA-N -1 3 312.402 2.620 20 0 DFADHM CN(C)c1cccc(CSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000736781038 599068060 /nfs/dbraw/zinc/06/80/60/599068060.db2.gz VJUNBACHGSPIFK-UHFFFAOYSA-N -1 3 312.402 2.620 20 0 DFADHM Cc1cccc2nc(CNc3cccc(-c4nnn[n-]4)c3C)cn21 ZINC000822121123 607258236 /nfs/dbraw/zinc/25/82/36/607258236.db2.gz AMVHGDNYKLGJRV-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1cccc2nc(CNc3cccc(-c4nn[n-]n4)c3C)cn21 ZINC000822121123 607258237 /nfs/dbraw/zinc/25/82/37/607258237.db2.gz AMVHGDNYKLGJRV-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM CC1(C)CCC(NC(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000736210136 599084183 /nfs/dbraw/zinc/08/41/83/599084183.db2.gz FXVLBFQJYXPWBZ-UHFFFAOYSA-N -1 3 305.407 2.627 20 0 DFADHM CC1(C)CCC(NC(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000736210136 599084187 /nfs/dbraw/zinc/08/41/87/599084187.db2.gz FXVLBFQJYXPWBZ-UHFFFAOYSA-N -1 3 305.407 2.627 20 0 DFADHM CC[C@]1(C)CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820949962 599089778 /nfs/dbraw/zinc/08/97/78/599089778.db2.gz IDRMUINDQYFUHI-CQSZACIVSA-N -1 3 306.801 2.932 20 0 DFADHM CC[C@]1(C)CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820949962 599089781 /nfs/dbraw/zinc/08/97/81/599089781.db2.gz IDRMUINDQYFUHI-CQSZACIVSA-N -1 3 306.801 2.932 20 0 DFADHM CC(C)[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCS1 ZINC000820044496 599097433 /nfs/dbraw/zinc/09/74/33/599097433.db2.gz GPAUYOOSQYNUQI-LBPRGKRZSA-N -1 3 307.398 2.584 20 0 DFADHM CC(C)[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCS1 ZINC000820044496 599097436 /nfs/dbraw/zinc/09/74/36/599097436.db2.gz GPAUYOOSQYNUQI-LBPRGKRZSA-N -1 3 307.398 2.584 20 0 DFADHM CC[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CCS1 ZINC000820993905 599102019 /nfs/dbraw/zinc/10/20/19/599102019.db2.gz BUAPSDLAAOARII-SNVBAGLBSA-N -1 3 309.826 2.852 20 0 DFADHM CC[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CCS1 ZINC000820993905 599102021 /nfs/dbraw/zinc/10/20/21/599102021.db2.gz BUAPSDLAAOARII-SNVBAGLBSA-N -1 3 309.826 2.852 20 0 DFADHM CCC[C@H](CCO)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821023382 599104463 /nfs/dbraw/zinc/10/44/63/599104463.db2.gz ZBHWVQSWCRPLPU-SNVBAGLBSA-N -1 3 309.801 2.731 20 0 DFADHM CCC[C@H](CCO)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821023382 599104465 /nfs/dbraw/zinc/10/44/65/599104465.db2.gz ZBHWVQSWCRPLPU-SNVBAGLBSA-N -1 3 309.801 2.731 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CSC[C@@H]1CCCOC1 ZINC000822761287 607258483 /nfs/dbraw/zinc/25/84/83/607258483.db2.gz GUPNRGOMRDRTSJ-SNVBAGLBSA-N -1 3 308.382 2.666 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CSC[C@@H]1CCCOC1 ZINC000822761287 607258484 /nfs/dbraw/zinc/25/84/84/607258484.db2.gz GUPNRGOMRDRTSJ-SNVBAGLBSA-N -1 3 308.382 2.666 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OCCCCCCCO ZINC000821394031 599123032 /nfs/dbraw/zinc/12/30/32/599123032.db2.gz FHIQKEQWJUXKRJ-UHFFFAOYSA-N -1 3 320.393 2.587 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OCCCCCCCO ZINC000821394031 599123034 /nfs/dbraw/zinc/12/30/34/599123034.db2.gz FHIQKEQWJUXKRJ-UHFFFAOYSA-N -1 3 320.393 2.587 20 0 DFADHM CC(C)[C@@H](C)SCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820020969 599129555 /nfs/dbraw/zinc/12/95/55/599129555.db2.gz NKXHCGKJRHIYBH-LLVKDONJSA-N -1 3 319.434 2.973 20 0 DFADHM CC(C)[C@@H](C)SCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820020969 599129556 /nfs/dbraw/zinc/12/95/56/599129556.db2.gz NKXHCGKJRHIYBH-LLVKDONJSA-N -1 3 319.434 2.973 20 0 DFADHM CC(C)[C@H](C)SCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820020970 599129981 /nfs/dbraw/zinc/12/99/81/599129981.db2.gz NKXHCGKJRHIYBH-NSHDSACASA-N -1 3 319.434 2.973 20 0 DFADHM CC(C)[C@H](C)SCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820020970 599129984 /nfs/dbraw/zinc/12/99/84/599129984.db2.gz NKXHCGKJRHIYBH-NSHDSACASA-N -1 3 319.434 2.973 20 0 DFADHM CC(C)[C@@H](C)SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820021584 599130035 /nfs/dbraw/zinc/13/00/35/599130035.db2.gz WRHFHYXDUPRAJF-SNVBAGLBSA-N -1 3 305.407 2.583 20 0 DFADHM CC(C)[C@@H](C)SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820021584 599130038 /nfs/dbraw/zinc/13/00/38/599130038.db2.gz WRHFHYXDUPRAJF-SNVBAGLBSA-N -1 3 305.407 2.583 20 0 DFADHM Fc1ccc(COc2ccc(Cl)nc2)c(-c2nnn[n-]2)c1 ZINC000822771389 607259092 /nfs/dbraw/zinc/25/90/92/607259092.db2.gz GTZHYINVWURATL-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1ccc(COc2ccc(Cl)nc2)c(-c2nn[n-]n2)c1 ZINC000822771389 607259093 /nfs/dbraw/zinc/25/90/93/607259093.db2.gz GTZHYINVWURATL-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM CCN(C(=O)/C=C\C1CC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147431 599143646 /nfs/dbraw/zinc/14/36/46/599143646.db2.gz GAQQDNAJKWIGRS-HUMZTAOYSA-N -1 3 311.389 2.742 20 0 DFADHM CCN(C(=O)/C=C\C1CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147431 599143650 /nfs/dbraw/zinc/14/36/50/599143650.db2.gz GAQQDNAJKWIGRS-HUMZTAOYSA-N -1 3 311.389 2.742 20 0 DFADHM Cc1ccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)o1 ZINC000822227505 599149224 /nfs/dbraw/zinc/14/92/24/599149224.db2.gz LHSNOUVOAZPDPG-NSHDSACASA-N -1 3 311.345 2.819 20 0 DFADHM Cc1ccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000822227505 599149225 /nfs/dbraw/zinc/14/92/25/599149225.db2.gz LHSNOUVOAZPDPG-NSHDSACASA-N -1 3 311.345 2.819 20 0 DFADHM CCC[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC ZINC000736433733 599164241 /nfs/dbraw/zinc/16/42/41/599164241.db2.gz AGJXQJDEDVOMIU-GFCCVEGCSA-N -1 3 306.391 2.691 20 0 DFADHM CCC[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC ZINC000736433733 599164242 /nfs/dbraw/zinc/16/42/42/599164242.db2.gz AGJXQJDEDVOMIU-GFCCVEGCSA-N -1 3 306.391 2.691 20 0 DFADHM Cc1nc(C)c(COc2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000737474818 599167740 /nfs/dbraw/zinc/16/77/40/599167740.db2.gz VKBSSHAHOOYNCF-UHFFFAOYSA-N -1 3 305.338 2.658 20 0 DFADHM Cc1nc(C)c(COc2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000737474818 599167741 /nfs/dbraw/zinc/16/77/41/599167741.db2.gz VKBSSHAHOOYNCF-UHFFFAOYSA-N -1 3 305.338 2.658 20 0 DFADHM CC1(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000736225552 599187333 /nfs/dbraw/zinc/18/73/33/599187333.db2.gz ZJFPRJUOEHFWJI-UHFFFAOYSA-N -1 3 300.366 2.711 20 0 DFADHM CC1(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000736225552 599187337 /nfs/dbraw/zinc/18/73/37/599187337.db2.gz ZJFPRJUOEHFWJI-UHFFFAOYSA-N -1 3 300.366 2.711 20 0 DFADHM C[C@H](COC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000736036511 599215937 /nfs/dbraw/zinc/21/59/37/599215937.db2.gz BWFFLLHSTOMBCH-SNVBAGLBSA-N -1 3 314.370 2.889 20 0 DFADHM CS[C@H]1CCC[C@H](Nc2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000737178641 599233539 /nfs/dbraw/zinc/23/35/39/599233539.db2.gz BIFZKXKZYNNVGF-RYUDHWBXSA-N -1 3 318.450 2.965 20 0 DFADHM CS[C@H]1CCC[C@H](Nc2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000737178641 599233540 /nfs/dbraw/zinc/23/35/40/599233540.db2.gz BIFZKXKZYNNVGF-RYUDHWBXSA-N -1 3 318.450 2.965 20 0 DFADHM O=C([O-])C[C@H]1CCCN(Cn2ccc(-c3ccsc3)n2)C1 ZINC000819385400 597046075 /nfs/dbraw/zinc/04/60/75/597046075.db2.gz NZSKKYVJHBVHEE-GFCCVEGCSA-N -1 3 305.403 2.756 20 0 DFADHM C[C@@H]1CC[C@@H](C)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820683446 599238546 /nfs/dbraw/zinc/23/85/46/599238546.db2.gz BFVFCCBNZKIODW-GHMZBOCLSA-N -1 3 316.434 2.684 20 0 DFADHM C[C@@H]1CC[C@@H](C)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820683446 599238548 /nfs/dbraw/zinc/23/85/48/599238548.db2.gz BFVFCCBNZKIODW-GHMZBOCLSA-N -1 3 316.434 2.684 20 0 DFADHM Cc1c(NC(=O)NC[C@H]2CC=CCC2)cccc1-c1nnn[n-]1 ZINC000822097361 607287057 /nfs/dbraw/zinc/28/70/57/607287057.db2.gz XHCMGVFVSURBFA-LBPRGKRZSA-N -1 3 312.377 2.653 20 0 DFADHM Cc1c(NC(=O)NC[C@H]2CC=CCC2)cccc1-c1nn[n-]n1 ZINC000822097361 607287058 /nfs/dbraw/zinc/28/70/58/607287058.db2.gz XHCMGVFVSURBFA-LBPRGKRZSA-N -1 3 312.377 2.653 20 0 DFADHM Cc1cc(F)cc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822203527 607308289 /nfs/dbraw/zinc/30/82/89/607308289.db2.gz YBVKDFBCXFKNDR-UHFFFAOYSA-N -1 3 312.308 2.958 20 0 DFADHM Cc1cc(F)cc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822203527 607308290 /nfs/dbraw/zinc/30/82/90/607308290.db2.gz YBVKDFBCXFKNDR-UHFFFAOYSA-N -1 3 312.308 2.958 20 0 DFADHM Cc1cc(N(C)C)ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822205770 607308448 /nfs/dbraw/zinc/30/84/48/607308448.db2.gz HZYXVCOCBSZAFK-UHFFFAOYSA-N -1 3 314.418 2.915 20 0 DFADHM Cc1cc(N(C)C)ccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822205770 607308449 /nfs/dbraw/zinc/30/84/49/607308449.db2.gz HZYXVCOCBSZAFK-UHFFFAOYSA-N -1 3 314.418 2.915 20 0 DFADHM CC=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000820826985 607303669 /nfs/dbraw/zinc/30/36/69/607303669.db2.gz PNLLNLMYNHJQIG-HMXLAXJASA-N -1 3 317.418 2.958 20 0 DFADHM C/C=C(/C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000820826985 607303670 /nfs/dbraw/zinc/30/36/70/607303670.db2.gz PNLLNLMYNHJQIG-HMXLAXJASA-N -1 3 317.418 2.958 20 0 DFADHM CC(C)(C)c1nnc(NCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819971153 607304224 /nfs/dbraw/zinc/30/42/24/607304224.db2.gz DQKBEVRUMDUWQW-UHFFFAOYSA-N -1 3 315.406 2.628 20 0 DFADHM CC(C)(C)c1nnc(NCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819971153 607304225 /nfs/dbraw/zinc/30/42/25/607304225.db2.gz DQKBEVRUMDUWQW-UHFFFAOYSA-N -1 3 315.406 2.628 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C(C)C ZINC000736488725 599275365 /nfs/dbraw/zinc/27/53/65/599275365.db2.gz RPSHJAOWOXQQCW-UHFFFAOYSA-N -1 3 300.366 2.593 20 0 DFADHM CCc1ccccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821491892 607319335 /nfs/dbraw/zinc/31/93/35/607319335.db2.gz BBSREBMIPIFTAT-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CCc1ccccc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821491892 607319336 /nfs/dbraw/zinc/31/93/36/607319336.db2.gz BBSREBMIPIFTAT-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM O=C([O-])C1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000821511388 598120025 /nfs/dbraw/zinc/12/00/25/598120025.db2.gz VBGYQXXGDWTZHR-UHFFFAOYSA-N -1 3 319.792 2.822 20 0 DFADHM O=C([O-])C[C@@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000821516825 598152179 /nfs/dbraw/zinc/15/21/79/598152179.db2.gz 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/nfs/dbraw/zinc/30/31/31/598303131.db2.gz SDBFPTCYNWIZET-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM Cc1noc([C@H](C)SCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000737537108 598313790 /nfs/dbraw/zinc/31/37/90/598313790.db2.gz JEYPIWGLSAUVDX-ZETCQYMHSA-N -1 3 320.353 2.692 20 0 DFADHM Cc1noc([C@H](C)SCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000737537108 598313792 /nfs/dbraw/zinc/31/37/92/598313792.db2.gz JEYPIWGLSAUVDX-ZETCQYMHSA-N -1 3 320.353 2.692 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CSC[C@H]1CCCCO1 ZINC000737647777 598313831 /nfs/dbraw/zinc/31/38/31/598313831.db2.gz DZOFDPWZWWTXEA-GFCCVEGCSA-N -1 3 308.382 2.808 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CSC[C@H]1CCCCO1 ZINC000737647777 598313833 /nfs/dbraw/zinc/31/38/33/598313833.db2.gz DZOFDPWZWWTXEA-GFCCVEGCSA-N -1 3 308.382 2.808 20 0 DFADHM Cc1noc([C@@H](C)SCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737538939 598314045 /nfs/dbraw/zinc/31/40/45/598314045.db2.gz QVBCIGJAWJHVFA-MRVPVSSYSA-N -1 3 302.363 2.553 20 0 DFADHM Cc1noc([C@@H](C)SCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737538939 598314047 /nfs/dbraw/zinc/31/40/47/598314047.db2.gz QVBCIGJAWJHVFA-MRVPVSSYSA-N -1 3 302.363 2.553 20 0 DFADHM CC[C@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736323006 598315287 /nfs/dbraw/zinc/31/52/87/598315287.db2.gz AEXMIYJSCMDDTI-ZETCQYMHSA-N -1 3 310.814 2.605 20 0 DFADHM CC[C@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736323006 598315289 /nfs/dbraw/zinc/31/52/89/598315289.db2.gz AEXMIYJSCMDDTI-ZETCQYMHSA-N -1 3 310.814 2.605 20 0 DFADHM CCc1nc(CCNc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000736701006 598352809 /nfs/dbraw/zinc/35/28/09/598352809.db2.gz XZUIMRYNZJHIST-UHFFFAOYSA-N -1 3 318.381 2.679 20 0 DFADHM CC(=O)c1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000735497595 598358969 /nfs/dbraw/zinc/35/89/69/598358969.db2.gz DWDFVNQKUWGYKN-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000735497595 598358971 /nfs/dbraw/zinc/35/89/71/598358971.db2.gz DWDFVNQKUWGYKN-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CCc1c(C)sc(NC(=O)C=CC2CC2)c1-c1nn[n-]n1 ZINC000821466338 599631380 /nfs/dbraw/zinc/63/13/80/599631380.db2.gz VYLLGMIBTNLVPF-SREVYHEPSA-N -1 3 303.391 2.704 20 0 DFADHM CCc1c(C)sc(NC(=O)/C=C\C2CC2)c1-c1nn[n-]n1 ZINC000821466338 599631381 /nfs/dbraw/zinc/63/13/81/599631381.db2.gz VYLLGMIBTNLVPF-SREVYHEPSA-N -1 3 303.391 2.704 20 0 DFADHM C[C@H](C1CC1)N(C(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000735963122 598375078 /nfs/dbraw/zinc/37/50/78/598375078.db2.gz AOVSLIOVKMQVFN-SNVBAGLBSA-N -1 3 312.377 2.662 20 0 DFADHM C[C@H](C1CC1)N(C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000735963122 598375079 /nfs/dbraw/zinc/37/50/79/598375079.db2.gz AOVSLIOVKMQVFN-SNVBAGLBSA-N -1 3 312.377 2.662 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000737641134 598388375 /nfs/dbraw/zinc/38/83/75/598388375.db2.gz SDWQRWZBJRXRBL-CYBMUJFWSA-N -1 3 324.363 2.697 20 0 DFADHM Cc1cccc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737392489 598393886 /nfs/dbraw/zinc/39/38/86/598393886.db2.gz WNTMEVIDCBGODC-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1cccc(CCNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737392489 598393887 /nfs/dbraw/zinc/39/38/87/598393887.db2.gz WNTMEVIDCBGODC-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM CN(C(=O)CC1=CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731809 598396833 /nfs/dbraw/zinc/39/68/33/598396833.db2.gz HZKDIGNSUIXPEW-UHFFFAOYSA-N -1 3 315.352 2.859 20 0 DFADHM CN(C(=O)CC1=CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731809 598396834 /nfs/dbraw/zinc/39/68/34/598396834.db2.gz HZKDIGNSUIXPEW-UHFFFAOYSA-N -1 3 315.352 2.859 20 0 DFADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000737188862 598422475 /nfs/dbraw/zinc/42/24/75/598422475.db2.gz HTGWCMGJTBXGAK-XZHRJIJLSA-N -1 3 319.368 2.757 20 0 DFADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000737188862 598422477 /nfs/dbraw/zinc/42/24/77/598422477.db2.gz HTGWCMGJTBXGAK-XZHRJIJLSA-N -1 3 319.368 2.757 20 0 DFADHM CCCCS[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736462987 598433058 /nfs/dbraw/zinc/43/30/58/598433058.db2.gz KSZVYBMJZHVIDP-NSHDSACASA-N -1 3 320.418 2.832 20 0 DFADHM CCCCS[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736462987 598433059 /nfs/dbraw/zinc/43/30/59/598433059.db2.gz KSZVYBMJZHVIDP-NSHDSACASA-N -1 3 320.418 2.832 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2[nH]ccc2c1 ZINC000738167762 598465409 /nfs/dbraw/zinc/46/54/09/598465409.db2.gz UIWWWOMYORLSRE-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2[nH]ccc2c1 ZINC000738167762 598465411 /nfs/dbraw/zinc/46/54/11/598465411.db2.gz UIWWWOMYORLSRE-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM CC(C)CO[C@H](C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000735839159 598481057 /nfs/dbraw/zinc/48/10/57/598481057.db2.gz LQRJIPITEGRGAV-NWDGAFQWSA-N -1 3 318.377 2.532 20 0 DFADHM CC(C)CO[C@H](C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000735839159 598481059 /nfs/dbraw/zinc/48/10/59/598481059.db2.gz LQRJIPITEGRGAV-NWDGAFQWSA-N -1 3 318.377 2.532 20 0 DFADHM CCS[C@@H](C(=O)OCc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736668173 598481604 /nfs/dbraw/zinc/48/16/04/598481604.db2.gz YJZGEEACCFIROU-CYBMUJFWSA-N -1 3 320.418 2.688 20 0 DFADHM CCS[C@@H](C(=O)OCc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736668173 598481606 /nfs/dbraw/zinc/48/16/06/598481606.db2.gz YJZGEEACCFIROU-CYBMUJFWSA-N -1 3 320.418 2.688 20 0 DFADHM C[C@H](OC(=O)Cc1ccsc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155236 598486029 /nfs/dbraw/zinc/48/60/29/598486029.db2.gz KMHDKRVUFWJPGN-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@H](OC(=O)Cc1ccsc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155236 598486031 /nfs/dbraw/zinc/48/60/31/598486031.db2.gz KMHDKRVUFWJPGN-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM CC(C)SCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735921331 598489900 /nfs/dbraw/zinc/48/99/00/598489900.db2.gz PFDUEZQRXNKRSZ-UHFFFAOYSA-N -1 3 322.438 2.503 20 0 DFADHM CC(C)SCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735921331 598489901 /nfs/dbraw/zinc/48/99/01/598489901.db2.gz PFDUEZQRXNKRSZ-UHFFFAOYSA-N -1 3 322.438 2.503 20 0 DFADHM C[C@@H](OC(=O)c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160910 598490543 /nfs/dbraw/zinc/49/05/43/598490543.db2.gz ACXZWAJSZWGWHH-SNVBAGLBSA-N -1 3 312.304 2.924 20 0 DFADHM C[C@@H](OC(=O)c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160910 598490544 /nfs/dbraw/zinc/49/05/44/598490544.db2.gz ACXZWAJSZWGWHH-SNVBAGLBSA-N -1 3 312.304 2.924 20 0 DFADHM C[C@@H](OC(=O)c1ccsc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736164593 598490937 /nfs/dbraw/zinc/49/09/37/598490937.db2.gz YSCAMHBAWXVMMJ-SECBINFHSA-N -1 3 300.343 2.846 20 0 DFADHM C[C@@H](OC(=O)c1ccsc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736164593 598490938 /nfs/dbraw/zinc/49/09/38/598490938.db2.gz YSCAMHBAWXVMMJ-SECBINFHSA-N -1 3 300.343 2.846 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000735762283 598531542 /nfs/dbraw/zinc/53/15/42/598531542.db2.gz WSZPGURXWAHWLV-GFCCVEGCSA-N -1 3 302.378 2.982 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000735762283 598531544 /nfs/dbraw/zinc/53/15/44/598531544.db2.gz WSZPGURXWAHWLV-GFCCVEGCSA-N -1 3 302.378 2.982 20 0 DFADHM Cc1ccc(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000737308765 598550433 /nfs/dbraw/zinc/55/04/33/598550433.db2.gz NURQQSIKVHCMTE-UHFFFAOYSA-N -1 3 312.304 2.576 20 0 DFADHM Cc1ccc(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000737308765 598550434 /nfs/dbraw/zinc/55/04/34/598550434.db2.gz NURQQSIKVHCMTE-UHFFFAOYSA-N -1 3 312.304 2.576 20 0 DFADHM CN(C[C@H]1CCCCO1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000736793818 598634622 /nfs/dbraw/zinc/63/46/22/598634622.db2.gz LYMMPQLTXAQTER-SNVBAGLBSA-N -1 3 307.785 2.525 20 0 DFADHM CN(C[C@H]1CCCCO1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000736793818 598634623 /nfs/dbraw/zinc/63/46/23/598634623.db2.gz LYMMPQLTXAQTER-SNVBAGLBSA-N -1 3 307.785 2.525 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCCCCCC1 ZINC000738163724 598631836 /nfs/dbraw/zinc/63/18/36/598631836.db2.gz TZYQPCMUHHHZRE-UHFFFAOYSA-N -1 3 318.356 2.804 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCCCCCC1 ZINC000738163724 598631837 /nfs/dbraw/zinc/63/18/37/598631837.db2.gz TZYQPCMUHHHZRE-UHFFFAOYSA-N -1 3 318.356 2.804 20 0 DFADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736400827 598632114 /nfs/dbraw/zinc/63/21/14/598632114.db2.gz CRIDNNTWPJJFFF-SNVBAGLBSA-N -1 3 318.356 2.660 20 0 DFADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736400827 598632115 /nfs/dbraw/zinc/63/21/15/598632115.db2.gz CRIDNNTWPJJFFF-SNVBAGLBSA-N -1 3 318.356 2.660 20 0 DFADHM CCO[C@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000736608453 598634833 /nfs/dbraw/zinc/63/48/33/598634833.db2.gz KQBCBOWCPHYWBF-JTQLQIEISA-N -1 3 307.785 2.525 20 0 DFADHM CCO[C@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000736608453 598634835 /nfs/dbraw/zinc/63/48/35/598634835.db2.gz KQBCBOWCPHYWBF-JTQLQIEISA-N -1 3 307.785 2.525 20 0 DFADHM CC[C@@H](C)[C@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736325950 598656854 /nfs/dbraw/zinc/65/68/54/598656854.db2.gz AFHFBAMGANHBMB-MNOVXSKESA-N -1 3 319.434 2.510 20 0 DFADHM CC[C@@H](C)[C@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736325950 598656855 /nfs/dbraw/zinc/65/68/55/598656855.db2.gz AFHFBAMGANHBMB-MNOVXSKESA-N -1 3 319.434 2.510 20 0 DFADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736299252 598672085 /nfs/dbraw/zinc/67/20/85/598672085.db2.gz TUCOOLCSOKQANG-MEDUHNTESA-N -1 3 319.368 2.530 20 0 DFADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736299252 598672088 /nfs/dbraw/zinc/67/20/88/598672088.db2.gz TUCOOLCSOKQANG-MEDUHNTESA-N -1 3 319.368 2.530 20 0 DFADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736299254 598672132 /nfs/dbraw/zinc/67/21/32/598672132.db2.gz TUCOOLCSOKQANG-ZBEGNZNMSA-N -1 3 319.368 2.530 20 0 DFADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736299254 598672134 /nfs/dbraw/zinc/67/21/34/598672134.db2.gz TUCOOLCSOKQANG-ZBEGNZNMSA-N -1 3 319.368 2.530 20 0 DFADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000736139145 598678932 /nfs/dbraw/zinc/67/89/32/598678932.db2.gz OTCWPUYIDDLCEJ-MEBBXXQBSA-N -1 3 313.336 2.540 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1C1CC1 ZINC000737292508 598717088 /nfs/dbraw/zinc/71/70/88/598717088.db2.gz ULTHCYLNPQVVQU-AWEZNQCLSA-N -1 3 312.377 2.581 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1C1CC1 ZINC000737292508 598717090 /nfs/dbraw/zinc/71/70/90/598717090.db2.gz ULTHCYLNPQVVQU-AWEZNQCLSA-N -1 3 312.377 2.581 20 0 DFADHM CCCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000736467410 598781907 /nfs/dbraw/zinc/78/19/07/598781907.db2.gz FLBHYTMIGAZENS-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CCCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000736467410 598781908 /nfs/dbraw/zinc/78/19/08/598781908.db2.gz FLBHYTMIGAZENS-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CC(C)(C)COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735618377 598785356 /nfs/dbraw/zinc/78/53/56/598785356.db2.gz LRZNGKDQGSSNKG-UHFFFAOYSA-N -1 3 320.418 2.689 20 0 DFADHM CC(C)(C)COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735618377 598785357 /nfs/dbraw/zinc/78/53/57/598785357.db2.gz LRZNGKDQGSSNKG-UHFFFAOYSA-N -1 3 320.418 2.689 20 0 DFADHM COc1ccccc1CCN(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737150008 598797394 /nfs/dbraw/zinc/79/73/94/598797394.db2.gz JRQFYFWLFACEEK-UHFFFAOYSA-N -1 3 309.373 2.554 20 0 DFADHM CCc1ccc(CN(c2ncccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000736690916 598814329 /nfs/dbraw/zinc/81/43/29/598814329.db2.gz NUZNWGSMLOYRGM-UHFFFAOYSA-N -1 3 320.400 2.993 20 0 DFADHM CCc1ccc(CN(c2ncccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000736690916 598814331 /nfs/dbraw/zinc/81/43/31/598814331.db2.gz NUZNWGSMLOYRGM-UHFFFAOYSA-N -1 3 320.400 2.993 20 0 DFADHM C[C@@H](c1cc(F)ccc1F)N(C)c1ncccc1-c1nnn[n-]1 ZINC000736197177 598815007 /nfs/dbraw/zinc/81/50/07/598815007.db2.gz LJSLCNAKMLRONH-VIFPVBQESA-N -1 3 316.315 2.737 20 0 DFADHM C[C@@H](c1cc(F)ccc1F)N(C)c1ncccc1-c1nn[n-]n1 ZINC000736197177 598815008 /nfs/dbraw/zinc/81/50/08/598815008.db2.gz LJSLCNAKMLRONH-VIFPVBQESA-N -1 3 316.315 2.737 20 0 DFADHM CCCN(C[C@H]1CCCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC000736469308 598816553 /nfs/dbraw/zinc/81/65/53/598816553.db2.gz DCCQOWCCUZPLLE-GFCCVEGCSA-N -1 3 319.384 2.791 20 0 DFADHM CCCN(C[C@H]1CCCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC000736469308 598816554 /nfs/dbraw/zinc/81/65/54/598816554.db2.gz DCCQOWCCUZPLLE-GFCCVEGCSA-N -1 3 319.384 2.791 20 0 DFADHM C[C@@H]1CC[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)[C@H](C)C1 ZINC000736245473 598817146 /nfs/dbraw/zinc/81/71/46/598817146.db2.gz SDUPAINOLBVHPC-GYSYKLTISA-N -1 3 312.421 2.987 20 0 DFADHM C[C@@H]1CC[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)[C@H](C)C1 ZINC000736245473 598817147 /nfs/dbraw/zinc/81/71/47/598817147.db2.gz SDUPAINOLBVHPC-GYSYKLTISA-N -1 3 312.421 2.987 20 0 DFADHM Cc1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737434289 599303673 /nfs/dbraw/zinc/30/36/73/599303673.db2.gz DSGJXQPXVLTEFD-UHFFFAOYSA-N -1 3 320.400 2.502 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000735597457 599304701 /nfs/dbraw/zinc/30/47/01/599304701.db2.gz PASTXVWZEQZUTA-FZMZJTMJSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000735597457 599304704 /nfs/dbraw/zinc/30/47/04/599304704.db2.gz PASTXVWZEQZUTA-FZMZJTMJSA-N -1 3 316.409 2.515 20 0 DFADHM CN(C(=O)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736741449 599310789 /nfs/dbraw/zinc/31/07/89/599310789.db2.gz PURMOFUORLRIDW-UHFFFAOYSA-N -1 3 313.748 2.797 20 0 DFADHM CN(C(=O)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736741449 599310792 /nfs/dbraw/zinc/31/07/92/599310792.db2.gz PURMOFUORLRIDW-UHFFFAOYSA-N -1 3 313.748 2.797 20 0 DFADHM CCN(C(=O)C=Cc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503202 599311352 /nfs/dbraw/zinc/31/13/52/599311352.db2.gz TWHWEFHBFLGTGZ-MDZDMXLPSA-N -1 3 309.329 2.526 20 0 DFADHM CCN(C(=O)C=Cc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503202 599311354 /nfs/dbraw/zinc/31/13/54/599311354.db2.gz TWHWEFHBFLGTGZ-MDZDMXLPSA-N -1 3 309.329 2.526 20 0 DFADHM C[C@H](Nc1cccc2c1OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736139234 599322960 /nfs/dbraw/zinc/32/29/60/599322960.db2.gz UNIVDKCWDYZWGV-NSHDSACASA-N -1 3 323.356 2.811 20 0 DFADHM C[C@H](Nc1cccc2c1OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736139234 599322963 /nfs/dbraw/zinc/32/29/63/599322963.db2.gz UNIVDKCWDYZWGV-NSHDSACASA-N -1 3 323.356 2.811 20 0 DFADHM C[C@@H](Nc1cnc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461329 599352407 /nfs/dbraw/zinc/35/24/07/599352407.db2.gz HTTSLLAKLJFBLC-LLVKDONJSA-N -1 3 317.356 2.983 20 0 DFADHM C[C@@H](Nc1cnc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461329 599352408 /nfs/dbraw/zinc/35/24/08/599352408.db2.gz HTTSLLAKLJFBLC-LLVKDONJSA-N -1 3 317.356 2.983 20 0 DFADHM Cc1nc(CNc2cccc(F)c2-c2nnn[n-]2)sc1C ZINC000822444326 599358049 /nfs/dbraw/zinc/35/80/49/599358049.db2.gz LYVWYHBLNFXJGY-UHFFFAOYSA-N -1 3 304.354 2.691 20 0 DFADHM Cc1nc(CNc2cccc(F)c2-c2nn[n-]n2)sc1C ZINC000822444326 599358051 /nfs/dbraw/zinc/35/80/51/599358051.db2.gz LYVWYHBLNFXJGY-UHFFFAOYSA-N -1 3 304.354 2.691 20 0 DFADHM C[C@H](Nc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820460844 599359433 /nfs/dbraw/zinc/35/94/33/599359433.db2.gz CHRJQUCUEXYKJQ-JTQLQIEISA-N -1 3 309.329 2.769 20 0 DFADHM C[C@H](Nc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820460844 599359435 /nfs/dbraw/zinc/35/94/35/599359435.db2.gz CHRJQUCUEXYKJQ-JTQLQIEISA-N -1 3 309.329 2.769 20 0 DFADHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H](c2ccco2)C1 ZINC000820726696 599359924 /nfs/dbraw/zinc/35/99/24/599359924.db2.gz AVPPJYGGXBJZQQ-WCQYABFASA-N -1 3 310.361 2.832 20 0 DFADHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H](c2ccco2)C1 ZINC000820726696 599359925 /nfs/dbraw/zinc/35/99/25/599359925.db2.gz AVPPJYGGXBJZQQ-WCQYABFASA-N -1 3 310.361 2.832 20 0 DFADHM CC(=O)Nc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819826566 599362166 /nfs/dbraw/zinc/36/21/66/599362166.db2.gz JTEBIHPJEHKHMT-LLVKDONJSA-N -1 3 322.372 2.998 20 0 DFADHM CC(=O)Nc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819826566 599362169 /nfs/dbraw/zinc/36/21/69/599362169.db2.gz JTEBIHPJEHKHMT-LLVKDONJSA-N -1 3 322.372 2.998 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(F)c1C ZINC000821736162 607371359 /nfs/dbraw/zinc/37/13/59/607371359.db2.gz DOEJCMCHFMPSQP-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(F)c1C ZINC000821736162 607371360 /nfs/dbraw/zinc/37/13/60/607371360.db2.gz DOEJCMCHFMPSQP-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000736244694 599376251 /nfs/dbraw/zinc/37/62/51/599376251.db2.gz MCVABQUVXCKNFG-JMSVASOKSA-N -1 3 314.389 2.777 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000736244694 599376254 /nfs/dbraw/zinc/37/62/54/599376254.db2.gz MCVABQUVXCKNFG-JMSVASOKSA-N -1 3 314.389 2.777 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000736244697 599376471 /nfs/dbraw/zinc/37/64/71/599376471.db2.gz MCVABQUVXCKNFG-XUJVJEKNSA-N -1 3 314.389 2.777 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736244697 599376474 /nfs/dbraw/zinc/37/64/74/599376474.db2.gz MCVABQUVXCKNFG-XUJVJEKNSA-N -1 3 314.389 2.777 20 0 DFADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1noc(C(C)C)n1 ZINC000822137783 599389410 /nfs/dbraw/zinc/38/94/10/599389410.db2.gz WYLSWGJRDHAWFB-UHFFFAOYSA-N -1 3 314.349 2.569 20 0 DFADHM O=C1CCCc2c(OCc3ccccc3-c3nnn[n-]3)cccc21 ZINC000823530319 599390594 /nfs/dbraw/zinc/39/05/94/599390594.db2.gz JAYDMZBHRLNLGS-UHFFFAOYSA-N -1 3 320.352 2.965 20 0 DFADHM O=C1CCCc2c(OCc3ccccc3-c3nn[n-]n3)cccc21 ZINC000823530319 599390596 /nfs/dbraw/zinc/39/05/96/599390596.db2.gz JAYDMZBHRLNLGS-UHFFFAOYSA-N -1 3 320.352 2.965 20 0 DFADHM CCOc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821417285 599395656 /nfs/dbraw/zinc/39/56/56/599395656.db2.gz KMJODGWNPPJQOA-NSHDSACASA-N -1 3 313.361 2.709 20 0 DFADHM Cc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)n1 ZINC000737394760 599414557 /nfs/dbraw/zinc/41/45/57/599414557.db2.gz VGQMFPJIUBNPPR-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)n1 ZINC000737394760 599414562 /nfs/dbraw/zinc/41/45/62/599414562.db2.gz VGQMFPJIUBNPPR-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1ncsc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737504024 599429626 /nfs/dbraw/zinc/42/96/26/599429626.db2.gz SRFYDJKIVMKZSG-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM Cc1ncsc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737504024 599429627 /nfs/dbraw/zinc/42/96/27/599429627.db2.gz SRFYDJKIVMKZSG-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM CCC(CC)[C@H](O)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736338251 599435976 /nfs/dbraw/zinc/43/59/76/599435976.db2.gz RCDCYOZRTJLQLT-CYBMUJFWSA-N -1 3 309.801 2.729 20 0 DFADHM CCC(CC)[C@H](O)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736338251 599435979 /nfs/dbraw/zinc/43/59/79/599435979.db2.gz RCDCYOZRTJLQLT-CYBMUJFWSA-N -1 3 309.801 2.729 20 0 DFADHM COc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cn1 ZINC000821821808 599467488 /nfs/dbraw/zinc/46/74/88/599467488.db2.gz YCOFGIMPDDFNGC-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cn1 ZINC000821821808 599467489 /nfs/dbraw/zinc/46/74/89/599467489.db2.gz YCOFGIMPDDFNGC-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM C[C@H](NC(=O)N1CCCC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820351092 599470223 /nfs/dbraw/zinc/47/02/23/599470223.db2.gz MODBVYDNEYHMTH-RYUDHWBXSA-N -1 3 314.393 2.512 20 0 DFADHM C[C@H](NC(=O)N1CCCC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820351092 599470225 /nfs/dbraw/zinc/47/02/25/599470225.db2.gz MODBVYDNEYHMTH-RYUDHWBXSA-N -1 3 314.393 2.512 20 0 DFADHM Fc1ccc(NCCc2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC000822783207 599483790 /nfs/dbraw/zinc/48/37/90/599483790.db2.gz ZZLFIJPZHFGWGE-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1ccc(NCCc2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC000822783207 599483792 /nfs/dbraw/zinc/48/37/92/599483792.db2.gz ZZLFIJPZHFGWGE-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM CC(C)CCOCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820076091 599499758 /nfs/dbraw/zinc/49/97/58/599499758.db2.gz AENYECFIDLZUMS-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM CC(C)CCOCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820076091 599499760 /nfs/dbraw/zinc/49/97/60/599499760.db2.gz AENYECFIDLZUMS-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM Fc1ccc(NCc2ccc3c(c2)CCO3)c(-c2nnn[n-]2)c1 ZINC000822782775 599517176 /nfs/dbraw/zinc/51/71/76/599517176.db2.gz GKXXUPOCMCAEKM-UHFFFAOYSA-N -1 3 311.320 2.553 20 0 DFADHM Fc1ccc(NCc2ccc3c(c2)CCO3)c(-c2nn[n-]n2)c1 ZINC000822782775 599517177 /nfs/dbraw/zinc/51/71/77/599517177.db2.gz GKXXUPOCMCAEKM-UHFFFAOYSA-N -1 3 311.320 2.553 20 0 DFADHM C[C@H](NC(=O)[C@@H](C)C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820314873 599521341 /nfs/dbraw/zinc/52/13/41/599521341.db2.gz LPYMMIPAOCCTHX-MNOVXSKESA-N -1 3 301.394 2.726 20 0 DFADHM C[C@H](NC(=O)[C@@H](C)C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820314873 599521342 /nfs/dbraw/zinc/52/13/42/599521342.db2.gz LPYMMIPAOCCTHX-MNOVXSKESA-N -1 3 301.394 2.726 20 0 DFADHM Cc1noc(C)c1C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000737540487 599531136 /nfs/dbraw/zinc/53/11/36/599531136.db2.gz VEDZDCZYAWCQEY-MRVPVSSYSA-N -1 3 316.340 2.654 20 0 DFADHM CCCCSCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821077390 599536786 /nfs/dbraw/zinc/53/67/86/599536786.db2.gz DCOZCOBRNJISQX-LLVKDONJSA-N -1 3 319.434 2.577 20 0 DFADHM CCCCSCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821077390 599536788 /nfs/dbraw/zinc/53/67/88/599536788.db2.gz DCOZCOBRNJISQX-LLVKDONJSA-N -1 3 319.434 2.577 20 0 DFADHM Cc1nc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000822428112 599545877 /nfs/dbraw/zinc/54/58/77/599545877.db2.gz ZURNWBAIHJIXIU-SSDOTTSWSA-N -1 3 304.354 2.944 20 0 DFADHM Cc1nc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000822428112 599545879 /nfs/dbraw/zinc/54/58/79/599545879.db2.gz ZURNWBAIHJIXIU-SSDOTTSWSA-N -1 3 304.354 2.944 20 0 DFADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC2(CCCC2)CC1 ZINC000738265751 599580392 /nfs/dbraw/zinc/58/03/92/599580392.db2.gz CNIWHWFRWCXRFT-UHFFFAOYSA-N -1 3 311.389 2.663 20 0 DFADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC2(CCCC2)CC1 ZINC000738265751 599580395 /nfs/dbraw/zinc/58/03/95/599580395.db2.gz CNIWHWFRWCXRFT-UHFFFAOYSA-N -1 3 311.389 2.663 20 0 DFADHM CS[C@@H]1CCCCN(c2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000821956432 607385749 /nfs/dbraw/zinc/38/57/49/607385749.db2.gz OOAVJOYWHKBFPF-GFCCVEGCSA-N -1 3 318.450 2.600 20 0 DFADHM CS[C@@H]1CCCCN(c2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000821956432 607385750 /nfs/dbraw/zinc/38/57/50/607385750.db2.gz OOAVJOYWHKBFPF-GFCCVEGCSA-N -1 3 318.450 2.600 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2ccccc2-c2nnn[n-]2)C1 ZINC000820691403 599620561 /nfs/dbraw/zinc/62/05/61/599620561.db2.gz XAVDIRCDQVBEKE-RYUDHWBXSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2ccccc2-c2nn[n-]n2)C1 ZINC000820691403 599620562 /nfs/dbraw/zinc/62/05/62/599620562.db2.gz XAVDIRCDQVBEKE-RYUDHWBXSA-N -1 3 300.362 2.736 20 0 DFADHM CCC(C)(C)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820848343 599627865 /nfs/dbraw/zinc/62/78/65/599627865.db2.gz VKGCLLVVVFODJH-KTKRTIGZSA-N -1 3 300.362 2.859 20 0 DFADHM CCC(C)(C)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820848343 599627866 /nfs/dbraw/zinc/62/78/66/599627866.db2.gz VKGCLLVVVFODJH-KTKRTIGZSA-N -1 3 300.362 2.859 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820966391 599655736 /nfs/dbraw/zinc/65/57/36/599655736.db2.gz DPGJRRSYEMASLC-RXHJEXLESA-N -1 3 311.389 2.527 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820966391 599655737 /nfs/dbraw/zinc/65/57/37/599655737.db2.gz DPGJRRSYEMASLC-RXHJEXLESA-N -1 3 311.389 2.527 20 0 DFADHM C[C@@H](NC(=O)NC1(C)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357351 599673804 /nfs/dbraw/zinc/67/38/04/599673804.db2.gz GPAJGDGBTCNZSY-LLVKDONJSA-N -1 3 314.393 2.560 20 0 DFADHM C[C@@H](NC(=O)NC1(C)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357351 599673805 /nfs/dbraw/zinc/67/38/05/599673805.db2.gz GPAJGDGBTCNZSY-LLVKDONJSA-N -1 3 314.393 2.560 20 0 DFADHM CC(C)[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820334182 599680918 /nfs/dbraw/zinc/68/09/18/599680918.db2.gz 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ZINC000820966692 599692384 /nfs/dbraw/zinc/69/23/84/599692384.db2.gz GTAVNVREVZNPKK-GWCFXTLKSA-N -1 3 314.393 2.827 20 0 DFADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820966692 599692385 /nfs/dbraw/zinc/69/23/85/599692385.db2.gz GTAVNVREVZNPKK-GWCFXTLKSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1nc(C)c(-c2nnn[n-]2)c(SC/C(Cl)=C\Cl)n1 ZINC000822427807 599697538 /nfs/dbraw/zinc/69/75/38/599697538.db2.gz VPNTYVVWOQAOGZ-XVNBXDOJSA-N -1 3 317.205 2.685 20 0 DFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(C)c2ccccc2C1 ZINC000736715963 599773900 /nfs/dbraw/zinc/77/39/00/599773900.db2.gz DQXALQTWCVRIOA-LBPRGKRZSA-N -1 3 300.358 2.991 20 0 DFADHM Cc1cncc(C=CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000822399200 607393941 /nfs/dbraw/zinc/39/39/41/607393941.db2.gz CEDWOYGMXBSDPL-XQRVVYSFSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1cncc(C=CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000822399200 607393943 /nfs/dbraw/zinc/39/39/43/607393943.db2.gz CEDWOYGMXBSDPL-XQRVVYSFSA-N -1 3 320.356 2.530 20 0 DFADHM CC=CC=CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820832254 607397460 /nfs/dbraw/zinc/39/74/60/607397460.db2.gz IRKBYOSIDDBXQO-DEQVHDEQSA-N -1 3 313.361 2.725 20 0 DFADHM CC=CC=CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820832254 607397461 /nfs/dbraw/zinc/39/74/61/607397461.db2.gz IRKBYOSIDDBXQO-DEQVHDEQSA-N -1 3 313.361 2.725 20 0 DFADHM Cc1cscc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826254378 607403288 /nfs/dbraw/zinc/40/32/88/607403288.db2.gz IJUMMFRXARUJFS-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM Cc1cscc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826254378 607403290 /nfs/dbraw/zinc/40/32/90/607403290.db2.gz IJUMMFRXARUJFS-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM CCc1nccn1[C@@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000737286041 599919722 /nfs/dbraw/zinc/91/97/22/599919722.db2.gz YQPRLUNOXSBDMN-CYBMUJFWSA-N -1 3 303.362 2.574 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CSC(C)(C)C ZINC000826254109 607408404 /nfs/dbraw/zinc/40/84/04/607408404.db2.gz UUIOMLQBMGFQFT-UHFFFAOYSA-N -1 3 320.418 2.750 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CSC(C)(C)C ZINC000826254109 607408405 /nfs/dbraw/zinc/40/84/05/607408405.db2.gz UUIOMLQBMGFQFT-UHFFFAOYSA-N -1 3 320.418 2.750 20 0 DFADHM CSCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826228599 607408920 /nfs/dbraw/zinc/40/89/20/607408920.db2.gz ULBJREXTABTRAE-UHFFFAOYSA-N -1 3 320.418 2.752 20 0 DFADHM CSCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826228599 607408922 /nfs/dbraw/zinc/40/89/22/607408922.db2.gz ULBJREXTABTRAE-UHFFFAOYSA-N -1 3 320.418 2.752 20 0 DFADHM CC(C)OCCCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000736485205 600003870 /nfs/dbraw/zinc/00/38/70/600003870.db2.gz UJJHQVBXKXEDAV-OAHLLOKOSA-N -1 3 320.433 2.710 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000826282159 607412026 /nfs/dbraw/zinc/41/20/26/607412026.db2.gz AOVDRFSSQCBGKP-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000826282159 607412027 /nfs/dbraw/zinc/41/20/27/607412027.db2.gz AOVDRFSSQCBGKP-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM CCC[C@](C)([NH2+]Cc1cc(=O)oc2c(C)c([O-])ccc12)C(=O)[O-] ZINC000736962825 600153958 /nfs/dbraw/zinc/15/39/58/600153958.db2.gz PFLRIWXEJHEAPT-KRWDZBQOSA-N -1 3 319.357 2.540 20 0 DFADHM C[C@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000736760299 600331936 /nfs/dbraw/zinc/33/19/36/600331936.db2.gz BZEJQIUSGOUREV-FRRDWIJNSA-N -1 3 319.405 2.654 20 0 DFADHM CC(C)c1ccccc1NC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000736573886 600363613 /nfs/dbraw/zinc/36/36/13/600363613.db2.gz YCZSIRHVECFGFO-OLZOCXBDSA-N -1 3 306.406 2.790 20 0 DFADHM Cc1ccccc1CCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826307061 607442626 /nfs/dbraw/zinc/44/26/26/607442626.db2.gz VDIIWAYYFCEMFJ-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM Cc1ccccc1CCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826307061 607442627 /nfs/dbraw/zinc/44/26/27/607442627.db2.gz VDIIWAYYFCEMFJ-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736167960 600423126 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ZINC000826246963 607689433 /nfs/dbraw/zinc/68/94/33/607689433.db2.gz PZDYTXOFYGBMHS-JVLSTEMRSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000826246963 607689435 /nfs/dbraw/zinc/68/94/35/607689435.db2.gz PZDYTXOFYGBMHS-JVLSTEMRSA-N -1 3 313.405 2.730 20 0 DFADHM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1ccccc1OC(F)F ZINC000827021957 604402191 /nfs/dbraw/zinc/40/21/91/604402191.db2.gz NOPOCPFHFGNLRL-LBPRGKRZSA-N -1 3 317.332 2.598 20 0 DFADHM C/C(=C/C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1)C(=O)[O-] ZINC000833382121 604473997 /nfs/dbraw/zinc/47/39/97/604473997.db2.gz GZKCJPWFIGOBID-FWLQQBITSA-N -1 3 312.373 2.640 20 0 DFADHM C/C(=C/C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1)C(=O)[O-] ZINC000833382121 604473999 /nfs/dbraw/zinc/47/39/99/604473999.db2.gz GZKCJPWFIGOBID-FWLQQBITSA-N -1 3 312.373 2.640 20 0 DFADHM O=C([O-])[C@@H](c1ccccc1F)N1CCN(C2CCCCC2)CC1 ZINC000833174934 604503940 /nfs/dbraw/zinc/50/39/40/604503940.db2.gz YXBCMWJMNKESMM-QGZVFWFLSA-N -1 3 320.408 2.902 20 0 DFADHM O=C([O-])[C@@H]1CCCN1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000263413774 604529872 /nfs/dbraw/zinc/52/98/72/604529872.db2.gz MKEGTKSJQDTLNH-JTQLQIEISA-N -1 3 305.708 2.990 20 0 DFADHM C[C@@H](Oc1ccc(CN(C)C[C@H]2CCCCO2)cc1)C(=O)[O-] ZINC000833536242 604607561 /nfs/dbraw/zinc/60/75/61/604607561.db2.gz ABBQMSJDDBHMJQ-CZUORRHYSA-N -1 3 307.390 2.539 20 0 DFADHM C[C@@H](Oc1ccc(CN(C)C[C@@H]2CCCCO2)cc1)C(=O)[O-] ZINC000833536238 604607941 /nfs/dbraw/zinc/60/79/41/604607941.db2.gz ABBQMSJDDBHMJQ-CJNGLKHVSA-N -1 3 307.390 2.539 20 0 DFADHM C[C@H]1CN(Cc2ccc(F)cc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000167661237 604670633 /nfs/dbraw/zinc/67/06/33/604670633.db2.gz FZAGSTSUJRGEGC-KWQFWETISA-N -1 3 305.271 2.997 20 0 DFADHM COCc1ccc(CN[C@H](CNC(=O)[O-])C2CCCCC2)o1 ZINC000829040342 604771024 /nfs/dbraw/zinc/77/10/24/604771024.db2.gz LGMVKRNIPBRZCT-OAHLLOKOSA-N -1 3 310.394 2.732 20 0 DFADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCSC[C@H]2c2ccccc2)O1 ZINC000833581185 604829793 /nfs/dbraw/zinc/82/97/93/604829793.db2.gz UTGPAKULGVSESD-HOCLYGCPSA-N -1 3 319.426 2.924 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2CCSC[C@H]2c2ccccc2)O1 ZINC000833581186 604830200 /nfs/dbraw/zinc/83/02/00/604830200.db2.gz UTGPAKULGVSESD-ZBFHGGJFSA-N -1 3 319.426 2.924 20 0 DFADHM Cc1nc(C(C)(C)NC[C@H]2CC(C(=O)[O-])=C(C)O2)sc1C ZINC000833576481 604833385 /nfs/dbraw/zinc/83/33/85/604833385.db2.gz BHNBIOLKLFUNOH-LLVKDONJSA-N -1 3 310.419 2.732 20 0 DFADHM CN1CC[C@H](NC(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000820620922 604858300 /nfs/dbraw/zinc/85/83/00/604858300.db2.gz WRRHTSRZTSVMPQ-IRXDYDNUSA-N -1 3 324.380 2.560 20 0 DFADHM CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCCC1 ZINC000825242593 607723318 /nfs/dbraw/zinc/72/33/18/607723318.db2.gz VUYSRAZJHOAYJY-GFCCVEGCSA-N -1 3 316.409 2.674 20 0 DFADHM CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCCC1 ZINC000825242593 607723320 /nfs/dbraw/zinc/72/33/20/607723320.db2.gz VUYSRAZJHOAYJY-GFCCVEGCSA-N -1 3 316.409 2.674 20 0 DFADHM CC(C)N(CC(=O)N(C)c1ccccc1C(=O)[O-])C1CCC1 ZINC000833497289 604952097 /nfs/dbraw/zinc/95/20/97/604952097.db2.gz AXNCHSCXODQWJD-UHFFFAOYSA-N -1 3 304.390 2.611 20 0 DFADHM C[C@H](NCCCNC(=O)[O-])c1ccccc1Br ZINC000825496954 604977442 /nfs/dbraw/zinc/97/74/42/604977442.db2.gz XMNUPZCCNTZVIH-VIFPVBQESA-N -1 3 301.184 2.757 20 0 DFADHM CO[C@H](CN[C@@H](C(=O)[O-])c1cccnc1)c1ccccc1Cl ZINC000831518806 605008565 /nfs/dbraw/zinc/00/85/65/605008565.db2.gz FNFAYMAKRZKMJO-HUUCEWRRSA-N -1 3 320.776 2.838 20 0 DFADHM CCN(CC1CC1)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833654340 605045353 /nfs/dbraw/zinc/04/53/53/605045353.db2.gz LSKUVOUDSTWGMZ-GFCCVEGCSA-N -1 3 304.390 2.752 20 0 DFADHM Fc1cccnc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826378282 607730551 /nfs/dbraw/zinc/73/05/51/607730551.db2.gz CFOAEQBXJBRLPH-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1cccnc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826378282 607730552 /nfs/dbraw/zinc/73/05/52/607730552.db2.gz CFOAEQBXJBRLPH-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000833640159 605071115 /nfs/dbraw/zinc/07/11/15/605071115.db2.gz UUAVZCWAVQOKSE-PZSREKOKSA-N -1 3 320.433 2.570 20 0 DFADHM O=C([O-])CCCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000821523920 605081906 /nfs/dbraw/zinc/08/19/06/605081906.db2.gz LGFDDGVRBHJGKI-QWHCGFSZSA-N -1 3 317.307 2.678 20 0 DFADHM C[C@H](Oc1ccc(CN[C@@H](C)c2cccnc2)cc1)C(=O)[O-] ZINC000833539758 605094190 /nfs/dbraw/zinc/09/41/90/605094190.db2.gz IPBMWNFGAVGZDR-STQMWFEESA-N -1 3 300.358 2.784 20 0 DFADHM C[C@H](NCC(C)(C)NC(=O)[O-])c1ccccc1OC(F)F ZINC000825485808 605106053 /nfs/dbraw/zinc/10/60/53/605106053.db2.gz RSOAKWWBRWEFNP-VIFPVBQESA-N -1 3 302.321 2.985 20 0 DFADHM CCO[C@H]1C[C@H](N(C)Cc2ccc(C(=O)[O-])[nH]2)C12CCCC2 ZINC000833659965 605110635 /nfs/dbraw/zinc/11/06/35/605110635.db2.gz KDHWBWMPYIAGAC-GJZGRUSLSA-N -1 3 306.406 2.883 20 0 DFADHM C[C@H](O)[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000833529931 605133913 /nfs/dbraw/zinc/13/39/13/605133913.db2.gz TYYOMSWTSVBCHS-IGJMFERPSA-N -1 3 318.200 2.822 20 0 DFADHM CC(C)[C@@H](C)NC(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833468182 605181248 /nfs/dbraw/zinc/18/12/48/605181248.db2.gz BXAMTSHSVAHFNK-CZUORRHYSA-N -1 3 320.433 2.589 20 0 DFADHM C[C@H](CCC1CCCCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824400725 607739511 /nfs/dbraw/zinc/73/95/11/607739511.db2.gz LCGLWYJZUUMCKN-LLVKDONJSA-N -1 3 316.409 2.674 20 0 DFADHM C[C@H](CCC1CCCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824400725 607739512 /nfs/dbraw/zinc/73/95/12/607739512.db2.gz LCGLWYJZUUMCKN-LLVKDONJSA-N -1 3 316.409 2.674 20 0 DFADHM CC(C)COC[C@@H](NC1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000824275241 605196380 /nfs/dbraw/zinc/19/63/80/605196380.db2.gz GVBKGBPTQNHAHM-CQSZACIVSA-N -1 3 310.394 2.725 20 0 DFADHM C[C@H](c1cccnc1)N(C)CCOc1ccccc1C(=O)[O-] ZINC000833550928 605217088 /nfs/dbraw/zinc/21/70/88/605217088.db2.gz ZKHROZWJOXZMAT-CYBMUJFWSA-N -1 3 300.358 2.852 20 0 DFADHM Cc1ccc([C@@H](CNCc2ccc(C(=O)[O-])o2)N2CCCC2)o1 ZINC000833749290 605236456 /nfs/dbraw/zinc/23/64/56/605236456.db2.gz PPETXPZMMKRPJV-CQSZACIVSA-N -1 3 318.373 2.806 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2CCCC[C@@H]2c2cccn2C)O1 ZINC000833583522 605348347 /nfs/dbraw/zinc/34/83/47/605348347.db2.gz IMSRETPTHNTODF-CZUORRHYSA-N -1 3 304.390 2.700 20 0 DFADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(CCc2cccc(F)c2F)C1 ZINC000833813740 605358464 /nfs/dbraw/zinc/35/84/64/605358464.db2.gz QFADPGLDSKYHSL-AAEUAGOBSA-N -1 3 312.360 2.875 20 0 DFADHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CCc2cccc(F)c2F)C1 ZINC000833813746 605358799 /nfs/dbraw/zinc/35/87/99/605358799.db2.gz QFADPGLDSKYHSL-YPMHNXCESA-N -1 3 312.360 2.875 20 0 DFADHM Cc1ccn2cc(CN[C@H](C)C[C@H]3CCCN3C(=O)[O-])nc2c1 ZINC000830607325 605498483 /nfs/dbraw/zinc/49/84/83/605498483.db2.gz PEVSIDDERGMTGU-UKRRQHHQSA-N -1 3 316.405 2.653 20 0 DFADHM CC(C)Cn1ccnc1CN[C@H](C)C[C@@H]1CCCN1C(=O)[O-] ZINC000824318988 605505337 /nfs/dbraw/zinc/50/53/37/605505337.db2.gz ZDKWNOVHEXIUOX-KGLIPLIRSA-N -1 3 308.426 2.550 20 0 DFADHM O=C([O-])NC[C@H]1CCN(Cc2c(F)cccc2N2CCCC2)C1 ZINC000834224226 605576210 /nfs/dbraw/zinc/57/62/10/605576210.db2.gz HUMDVPSVQBGPBF-CYBMUJFWSA-N -1 3 321.396 2.515 20 0 DFADHM Cc1cccn2c(CN3CCC[C@@H]([C@H](C)NC(=O)[O-])C3)cnc12 ZINC000833909887 605602973 /nfs/dbraw/zinc/60/29/73/605602973.db2.gz SJUQCHXVEORGAP-UONOGXRCSA-N -1 3 316.405 2.511 20 0 DFADHM O=C([O-])N[C@@H]1C[C@@H](NCc2cccc(CO)c2)c2ccccc21 ZINC000834159258 605798382 /nfs/dbraw/zinc/79/83/82/605798382.db2.gz RNSQCYRUPGXLPP-IAGOWNOFSA-N -1 3 312.369 2.722 20 0 DFADHM COc1ccc(CN[C@@H]2CCN(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000829389954 605846180 /nfs/dbraw/zinc/84/61/80/605846180.db2.gz QQAZSAPUCLDMIF-SNVBAGLBSA-N -1 3 318.295 2.556 20 0 DFADHM O=C([O-])NC[C@@H](NC[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000834208956 605974776 /nfs/dbraw/zinc/97/47/76/605974776.db2.gz ZOPWOIFUMAZHNZ-IAGOWNOFSA-N -1 3 314.385 2.917 20 0 DFADHM c1ccc2c(c1)CCC[C@@H]2CNc1ccc(-c2nnn[n-]2)nc1 ZINC000823798252 606041656 /nfs/dbraw/zinc/04/16/56/606041656.db2.gz VSOCBTIRNVLZBF-CYBMUJFWSA-N -1 3 306.373 2.794 20 0 DFADHM c1ccc2c(c1)CCC[C@@H]2CNc1ccc(-c2nn[n-]n2)nc1 ZINC000823798252 606041662 /nfs/dbraw/zinc/04/16/62/606041662.db2.gz VSOCBTIRNVLZBF-CYBMUJFWSA-N -1 3 306.373 2.794 20 0 DFADHM CC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CCOCC1 ZINC000820925720 606042167 /nfs/dbraw/zinc/04/21/67/606042167.db2.gz KXISRQKCIVHYRQ-LBPRGKRZSA-N -1 3 305.357 2.623 20 0 DFADHM CC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CCOCC1 ZINC000820925720 606042170 /nfs/dbraw/zinc/04/21/70/606042170.db2.gz KXISRQKCIVHYRQ-LBPRGKRZSA-N -1 3 305.357 2.623 20 0 DFADHM Cc1ccccc1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC000822351611 606052363 /nfs/dbraw/zinc/05/23/63/606052363.db2.gz PJJQDJDJGDYIJZ-MRXNPFEDSA-N -1 3 306.373 2.912 20 0 DFADHM Cc1ccccc1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC000822351611 606052370 /nfs/dbraw/zinc/05/23/70/606052370.db2.gz PJJQDJDJGDYIJZ-MRXNPFEDSA-N -1 3 306.373 2.912 20 0 DFADHM c1ccc(CC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000823780967 606053333 /nfs/dbraw/zinc/05/33/33/606053333.db2.gz XRPVJOSSNGIREJ-HNNXBMFYSA-N -1 3 320.400 2.863 20 0 DFADHM c1ccc(CC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000823780967 606053339 /nfs/dbraw/zinc/05/33/39/606053339.db2.gz XRPVJOSSNGIREJ-HNNXBMFYSA-N -1 3 320.400 2.863 20 0 DFADHM COc1ccccc1C(C)(C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000821882958 606064961 /nfs/dbraw/zinc/06/49/61/606064961.db2.gz OKEBESQAWXLQEB-UHFFFAOYSA-N -1 3 324.388 2.660 20 0 DFADHM COc1ccccc1C(C)(C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000821882958 606064967 /nfs/dbraw/zinc/06/49/67/606064967.db2.gz OKEBESQAWXLQEB-UHFFFAOYSA-N -1 3 324.388 2.660 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820665154 606087115 /nfs/dbraw/zinc/08/71/15/606087115.db2.gz DQIANQBRHBSXLI-TZMCWYRMSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820665154 606087121 /nfs/dbraw/zinc/08/71/21/606087121.db2.gz DQIANQBRHBSXLI-TZMCWYRMSA-N -1 3 306.373 2.644 20 0 DFADHM Cc1noc(C)c1CCN1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000833930058 606090721 /nfs/dbraw/zinc/09/07/21/606090721.db2.gz CVLAIPIXTYLPPC-INIZCTEOSA-N -1 3 321.421 2.688 20 0 DFADHM C[C@@H](Nc1nc(C2CC2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461575 606095995 /nfs/dbraw/zinc/09/59/95/606095995.db2.gz NCMYJUWEISAQSV-MRVPVSSYSA-N -1 3 313.390 2.769 20 0 DFADHM C[C@@H](Nc1nc(C2CC2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461575 606095998 /nfs/dbraw/zinc/09/59/98/606095998.db2.gz NCMYJUWEISAQSV-MRVPVSSYSA-N -1 3 313.390 2.769 20 0 DFADHM c1ccc2c(c1)CCS[C@@H]2CNc1ccc(-c2nnn[n-]2)nc1 ZINC000823796950 606102475 /nfs/dbraw/zinc/10/24/75/606102475.db2.gz ISJAEAJMUDWEMR-OAHLLOKOSA-N -1 3 324.413 2.704 20 0 DFADHM c1ccc2c(c1)CCS[C@@H]2CNc1ccc(-c2nn[n-]n2)nc1 ZINC000823796950 606102476 /nfs/dbraw/zinc/10/24/76/606102476.db2.gz ISJAEAJMUDWEMR-OAHLLOKOSA-N -1 3 324.413 2.704 20 0 DFADHM Cc1cnc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)s1 ZINC000822389067 606103887 /nfs/dbraw/zinc/10/38/87/606103887.db2.gz KFZLJVFVXXULSO-ZETCQYMHSA-N -1 3 321.797 2.853 20 0 DFADHM Cc1cnc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822389067 606103889 /nfs/dbraw/zinc/10/38/89/606103889.db2.gz KFZLJVFVXXULSO-ZETCQYMHSA-N -1 3 321.797 2.853 20 0 DFADHM C[C@@H]1c2ccccc2CN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820825884 606104418 /nfs/dbraw/zinc/10/44/18/606104418.db2.gz GPUYMWCJJJGABJ-LLVKDONJSA-N -1 3 305.341 2.584 20 0 DFADHM C[C@@H]1c2ccccc2CN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820825884 606104420 /nfs/dbraw/zinc/10/44/20/606104420.db2.gz GPUYMWCJJJGABJ-LLVKDONJSA-N -1 3 305.341 2.584 20 0 DFADHM Clc1cc(NCCc2cscn2)ccc1-c1nnn[n-]1 ZINC000822568818 606126503 /nfs/dbraw/zinc/12/65/03/606126503.db2.gz XTWCFFDGWYVFFP-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Clc1cc(NCCc2cscn2)ccc1-c1nn[n-]n1 ZINC000822568818 606126505 /nfs/dbraw/zinc/12/65/05/606126505.db2.gz XTWCFFDGWYVFFP-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM O=C(CCC1CCC1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822950369 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/nfs/dbraw/zinc/26/78/82/606267882.db2.gz KUVWHPOFHYUHAG-VIFPVBQESA-N -1 3 303.341 2.771 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC1CC1 ZINC000821118060 606281260 /nfs/dbraw/zinc/28/12/60/606281260.db2.gz GGFMSYUKGLTNCO-UHFFFAOYSA-N -1 3 314.393 2.817 20 0 DFADHM Cc1nc(Cl)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822449766 606314049 /nfs/dbraw/zinc/31/40/49/606314049.db2.gz OBMVHGSEDJIAFI-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1nc(Cl)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822449766 606314050 /nfs/dbraw/zinc/31/40/50/606314050.db2.gz OBMVHGSEDJIAFI-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM CC(C)N(C(=O)CSc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000820112643 606325146 /nfs/dbraw/zinc/32/51/46/606325146.db2.gz ZIERXNHHCUIMHW-UHFFFAOYSA-N -1 3 319.434 2.604 20 0 DFADHM CC(C)N(C(=O)CSc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000820112643 606325148 /nfs/dbraw/zinc/32/51/48/606325148.db2.gz ZIERXNHHCUIMHW-UHFFFAOYSA-N -1 3 319.434 2.604 20 0 DFADHM CCc1nnc([C@H](C)Sc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821516749 606325538 /nfs/dbraw/zinc/32/55/38/606325538.db2.gz BLGZSZBXTBODKC-QMMMGPOBSA-N -1 3 302.363 2.665 20 0 DFADHM CCc1nnc([C@H](C)Sc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821516749 606325536 /nfs/dbraw/zinc/32/55/36/606325536.db2.gz BLGZSZBXTBODKC-QMMMGPOBSA-N -1 3 302.363 2.665 20 0 DFADHM Clc1ccc(-c2noc(-c3cc(-c4nnn[n-]4)c[nH]3)n2)cc1 ZINC000822574219 606328768 /nfs/dbraw/zinc/32/87/68/606328768.db2.gz QUXBZBBNBLMXHB-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM Clc1ccc(-c2noc(-c3cc(-c4nn[n-]n4)c[nH]3)n2)cc1 ZINC000822574219 606328770 /nfs/dbraw/zinc/32/87/70/606328770.db2.gz QUXBZBBNBLMXHB-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM CC(C)(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1F ZINC000819892099 606332265 /nfs/dbraw/zinc/33/22/65/606332265.db2.gz UREDUUSMVCSPQL-UHFFFAOYSA-N -1 3 308.382 2.854 20 0 DFADHM CC(C)(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1F ZINC000819892099 606332266 /nfs/dbraw/zinc/33/22/66/606332266.db2.gz UREDUUSMVCSPQL-UHFFFAOYSA-N -1 3 308.382 2.854 20 0 DFADHM C[C@@H](OC(=O)[C@H](C)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488742 606346011 /nfs/dbraw/zinc/34/60/11/606346011.db2.gz SWHXXJPQAMYXEJ-VXGBXAGGSA-N -1 3 323.356 2.670 20 0 DFADHM C[C@@H](OC(=O)[C@H](C)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488742 606346012 /nfs/dbraw/zinc/34/60/12/606346012.db2.gz SWHXXJPQAMYXEJ-VXGBXAGGSA-N -1 3 323.356 2.670 20 0 DFADHM C[C@@H](OC(=O)C1CCSCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487011 606346064 /nfs/dbraw/zinc/34/60/64/606346064.db2.gz DYJDDFIVBFZROG-SNVBAGLBSA-N -1 3 318.402 2.614 20 0 DFADHM C[C@@H](OC(=O)C1CCSCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487011 606346065 /nfs/dbraw/zinc/34/60/65/606346065.db2.gz DYJDDFIVBFZROG-SNVBAGLBSA-N -1 3 318.402 2.614 20 0 DFADHM C[C@@H]1CCCCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820703513 606346139 /nfs/dbraw/zinc/34/61/39/606346139.db2.gz GSPDQMNUWJQWRA-SNVBAGLBSA-N -1 3 318.356 2.802 20 0 DFADHM C[C@@H]1CCCCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820703513 606346140 /nfs/dbraw/zinc/34/61/40/606346140.db2.gz GSPDQMNUWJQWRA-SNVBAGLBSA-N -1 3 318.356 2.802 20 0 DFADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000822183579 606346805 /nfs/dbraw/zinc/34/68/05/606346805.db2.gz IIRISVWJUSZXBZ-SNVBAGLBSA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000822183579 606346806 /nfs/dbraw/zinc/34/68/06/606346806.db2.gz IIRISVWJUSZXBZ-SNVBAGLBSA-N -1 3 312.329 2.995 20 0 DFADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820649751 606364297 /nfs/dbraw/zinc/36/42/97/606364297.db2.gz OGVXNYFOCGFNAN-RISCZKNCSA-N -1 3 313.405 2.811 20 0 DFADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820649751 606364299 /nfs/dbraw/zinc/36/42/99/606364299.db2.gz OGVXNYFOCGFNAN-RISCZKNCSA-N -1 3 313.405 2.811 20 0 DFADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)c(F)cc1F ZINC000822177055 606372471 /nfs/dbraw/zinc/37/24/71/606372471.db2.gz SFKBAIWGPSUTIP-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)c(F)cc1F ZINC000822177055 606372472 /nfs/dbraw/zinc/37/24/72/606372472.db2.gz SFKBAIWGPSUTIP-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM C[C@@H]1CCCN1c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820716982 606417778 /nfs/dbraw/zinc/41/77/78/606417778.db2.gz NSWNVGLWIUYOLS-MRVPVSSYSA-N -1 3 316.315 2.682 20 0 DFADHM C[C@@H]1CCCN1c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820716982 606417780 /nfs/dbraw/zinc/41/77/80/606417780.db2.gz NSWNVGLWIUYOLS-MRVPVSSYSA-N -1 3 316.315 2.682 20 0 DFADHM CC(C)[C@H]1OCCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000820051955 606427405 /nfs/dbraw/zinc/42/74/05/606427405.db2.gz YSCSQQBVJPTXEA-XHDPSFHLSA-N -1 3 319.384 2.869 20 0 DFADHM CC(C)[C@H]1OCCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000820051955 606427408 /nfs/dbraw/zinc/42/74/08/606427408.db2.gz YSCSQQBVJPTXEA-XHDPSFHLSA-N -1 3 319.384 2.869 20 0 DFADHM Cc1nnc(NCC(C)(C)CC(C)C)c(-c2nnn[n-]2)c1C ZINC000822516113 606430945 /nfs/dbraw/zinc/43/09/45/606430945.db2.gz VNZFQRABWYWBSE-UHFFFAOYSA-N -1 3 303.414 2.758 20 0 DFADHM Cc1nnc(NCC(C)(C)CC(C)C)c(-c2nn[n-]n2)c1C ZINC000822516113 606430946 /nfs/dbraw/zinc/43/09/46/606430946.db2.gz VNZFQRABWYWBSE-UHFFFAOYSA-N -1 3 303.414 2.758 20 0 DFADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccs1 ZINC000820508775 606464780 /nfs/dbraw/zinc/46/47/80/606464780.db2.gz XMXSYGXLMHYFDZ-ZETCQYMHSA-N -1 3 306.372 2.908 20 0 DFADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccs1 ZINC000820508775 606464782 /nfs/dbraw/zinc/46/47/82/606464782.db2.gz XMXSYGXLMHYFDZ-ZETCQYMHSA-N -1 3 306.372 2.908 20 0 DFADHM O=C(Oc1cccc2[nH]ccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823455008 606468187 /nfs/dbraw/zinc/46/81/87/606468187.db2.gz VBHOVSFNRQSUEB-UHFFFAOYSA-N -1 3 311.326 2.629 20 0 DFADHM O=C(Oc1cccc2[nH]ccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823455008 606468188 /nfs/dbraw/zinc/46/81/88/606468188.db2.gz VBHOVSFNRQSUEB-UHFFFAOYSA-N -1 3 311.326 2.629 20 0 DFADHM O=C(Oc1cc(Cl)ccc1F)c1cc(-c2nnn[n-]2)cs1 ZINC000823445449 606468455 /nfs/dbraw/zinc/46/84/55/606468455.db2.gz WFFNNMKOZZYYQW-UHFFFAOYSA-N -1 3 324.724 2.940 20 0 DFADHM O=C(Oc1cc(Cl)ccc1F)c1cc(-c2nn[n-]n2)cs1 ZINC000823445449 606468457 /nfs/dbraw/zinc/46/84/57/606468457.db2.gz WFFNNMKOZZYYQW-UHFFFAOYSA-N -1 3 324.724 2.940 20 0 DFADHM c1sc(-c2nc(Cc3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000823788126 606471500 /nfs/dbraw/zinc/47/15/00/606471500.db2.gz VXNAAWMRRMZQNY-UHFFFAOYSA-N -1 3 310.342 2.569 20 0 DFADHM c1sc(-c2nc(Cc3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000823788126 606471502 /nfs/dbraw/zinc/47/15/02/606471502.db2.gz VXNAAWMRRMZQNY-UHFFFAOYSA-N -1 3 310.342 2.569 20 0 DFADHM CC(C)CCC[C@H](C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820072661 606486779 /nfs/dbraw/zinc/48/67/79/606486779.db2.gz JVZQZFGTKPPGHF-ZDUSSCGKSA-N -1 3 315.421 2.740 20 0 DFADHM CC(C)CCC[C@H](C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820072661 606486780 /nfs/dbraw/zinc/48/67/80/606486780.db2.gz JVZQZFGTKPPGHF-ZDUSSCGKSA-N -1 3 315.421 2.740 20 0 DFADHM Cc1cccc(C)c1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822293588 606489399 /nfs/dbraw/zinc/48/93/99/606489399.db2.gz CYFCSSABPRMDLU-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM Cc1cccc(C)c1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822293588 606489401 /nfs/dbraw/zinc/48/94/01/606489401.db2.gz CYFCSSABPRMDLU-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C)c1 ZINC000821153848 606490749 /nfs/dbraw/zinc/49/07/49/606490749.db2.gz FKZHWRBBJBDHSP-UHFFFAOYSA-N -1 3 313.386 2.903 20 0 DFADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C)c1 ZINC000821153848 606490750 /nfs/dbraw/zinc/49/07/50/606490750.db2.gz FKZHWRBBJBDHSP-UHFFFAOYSA-N -1 3 313.386 2.903 20 0 DFADHM Cc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822228709 606504009 /nfs/dbraw/zinc/50/40/09/606504009.db2.gz CXIHUXPQNWNXIT-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822228709 606504011 /nfs/dbraw/zinc/50/40/11/606504011.db2.gz CXIHUXPQNWNXIT-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM CCCCCC[C@H](C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821050039 606521247 /nfs/dbraw/zinc/52/12/47/606521247.db2.gz OYDYKNSRLKTCOG-ZDUSSCGKSA-N -1 3 315.421 2.884 20 0 DFADHM CCCCCC[C@H](C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821050039 606521249 /nfs/dbraw/zinc/52/12/49/606521249.db2.gz OYDYKNSRLKTCOG-ZDUSSCGKSA-N -1 3 315.421 2.884 20 0 DFADHM CC(C)(C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000819907760 606542707 /nfs/dbraw/zinc/54/27/07/606542707.db2.gz RJXJRHGGIULPMY-UHFFFAOYSA-N -1 3 319.434 2.827 20 0 DFADHM CC(C)(C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000819907760 606542709 /nfs/dbraw/zinc/54/27/09/606542709.db2.gz RJXJRHGGIULPMY-UHFFFAOYSA-N -1 3 319.434 2.827 20 0 DFADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(CC1CCC1)c1ccccc1 ZINC000823460598 606556413 /nfs/dbraw/zinc/55/64/13/606556413.db2.gz RCNXJEASVHJIPK-UHFFFAOYSA-N -1 3 322.372 2.642 20 0 DFADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(CC1CCC1)c1ccccc1 ZINC000823460598 606556414 /nfs/dbraw/zinc/55/64/14/606556414.db2.gz RCNXJEASVHJIPK-UHFFFAOYSA-N -1 3 322.372 2.642 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H]1C ZINC000820743027 606570214 /nfs/dbraw/zinc/57/02/14/606570214.db2.gz PKMKGLBXZCUWNB-RKDXNWHRSA-N -1 3 320.784 2.640 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H]1C ZINC000820743027 606570215 /nfs/dbraw/zinc/57/02/15/606570215.db2.gz PKMKGLBXZCUWNB-RKDXNWHRSA-N -1 3 320.784 2.640 20 0 DFADHM CC(C)N(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820334584 606601288 /nfs/dbraw/zinc/60/12/88/606601288.db2.gz OBGWEDFDJROURB-NSHDSACASA-N -1 3 314.393 2.510 20 0 DFADHM CC(C)N(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820334584 606601289 /nfs/dbraw/zinc/60/12/89/606601289.db2.gz OBGWEDFDJROURB-NSHDSACASA-N -1 3 314.393 2.510 20 0 DFADHM CC(C)N(C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820334215 606601331 /nfs/dbraw/zinc/60/13/31/606601331.db2.gz LIMDAKZWUQSDKF-NSHDSACASA-N -1 3 314.393 2.510 20 0 DFADHM CC(C)N(C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820334215 606601332 /nfs/dbraw/zinc/60/13/32/606601332.db2.gz LIMDAKZWUQSDKF-NSHDSACASA-N -1 3 314.393 2.510 20 0 DFADHM CO[C@H]1C[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1(C)C ZINC000821678757 606609514 /nfs/dbraw/zinc/60/95/14/606609514.db2.gz RTOYSKHADFSEAF-RYUDHWBXSA-N -1 3 307.785 2.746 20 0 DFADHM CO[C@H]1C[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1(C)C ZINC000821678757 606609515 /nfs/dbraw/zinc/60/95/15/606609515.db2.gz RTOYSKHADFSEAF-RYUDHWBXSA-N -1 3 307.785 2.746 20 0 DFADHM CC(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)=C1CCCC1 ZINC000819864974 606620253 /nfs/dbraw/zinc/62/02/53/606620253.db2.gz AZCHDBFIMGNIIC-UHFFFAOYSA-N -1 3 315.352 2.513 20 0 DFADHM CC(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)=C1CCCC1 ZINC000819864974 606620254 /nfs/dbraw/zinc/62/02/54/606620254.db2.gz AZCHDBFIMGNIIC-UHFFFAOYSA-N -1 3 315.352 2.513 20 0 DFADHM C[C@H](O)c1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820481024 606638524 /nfs/dbraw/zinc/63/85/24/606638524.db2.gz RRPIWXMQHOIFJB-JTQLQIEISA-N -1 3 314.320 2.638 20 0 DFADHM C[C@H](O)c1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000820481024 606638525 /nfs/dbraw/zinc/63/85/25/606638525.db2.gz RRPIWXMQHOIFJB-JTQLQIEISA-N -1 3 314.320 2.638 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000755265528 606663328 /nfs/dbraw/zinc/66/33/28/606663328.db2.gz BPCXSYLCVVRTGZ-GDBMZVCRSA-N -1 3 319.368 2.684 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000755265528 606663329 /nfs/dbraw/zinc/66/33/29/606663329.db2.gz BPCXSYLCVVRTGZ-GDBMZVCRSA-N -1 3 319.368 2.684 20 0 DFADHM CCN(C(=O)C=C1CCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821146913 606670310 /nfs/dbraw/zinc/67/03/10/606670310.db2.gz ANNSWXAGXHXEGL-LBPRGKRZSA-N -1 3 311.389 2.887 20 0 DFADHM CCN(C(=O)C=C1CCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821146913 606670311 /nfs/dbraw/zinc/67/03/11/606670311.db2.gz ANNSWXAGXHXEGL-LBPRGKRZSA-N -1 3 311.389 2.887 20 0 DFADHM O=C(C=C1CCC1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000822916723 606677170 /nfs/dbraw/zinc/67/71/70/606677170.db2.gz BFOXZKOPLCCDFB-UHFFFAOYSA-N -1 3 321.287 2.517 20 0 DFADHM O=C(C=C1CCC1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000822916723 606677171 /nfs/dbraw/zinc/67/71/71/606677171.db2.gz BFOXZKOPLCCDFB-UHFFFAOYSA-N -1 3 321.287 2.517 20 0 DFADHM C[C@H](CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000820268741 606679640 /nfs/dbraw/zinc/67/96/40/606679640.db2.gz DTZOOMWKPSCYMS-MRVPVSSYSA-N -1 3 323.347 2.557 20 0 DFADHM C[C@H](CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000820268741 606679641 /nfs/dbraw/zinc/67/96/41/606679641.db2.gz DTZOOMWKPSCYMS-MRVPVSSYSA-N -1 3 323.347 2.557 20 0 DFADHM COCCCCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000821686982 606704775 /nfs/dbraw/zinc/70/47/75/606704775.db2.gz IKQUMZCOJSANGJ-UHFFFAOYSA-N -1 3 319.434 2.659 20 0 DFADHM COCCCCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000821686982 606704778 /nfs/dbraw/zinc/70/47/78/606704778.db2.gz IKQUMZCOJSANGJ-UHFFFAOYSA-N -1 3 319.434 2.659 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ncccc1Cl ZINC000821613692 606722017 /nfs/dbraw/zinc/72/20/17/606722017.db2.gz YWGCCZKUBDWJKS-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ncccc1Cl ZINC000821613692 606722018 /nfs/dbraw/zinc/72/20/18/606722018.db2.gz YWGCCZKUBDWJKS-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CCC1(CNc2nnc(C)c(C)c2-c2nnn[n-]2)CCCC1 ZINC000820967716 606722735 /nfs/dbraw/zinc/72/27/35/606722735.db2.gz TZEQRXSJNRTICI-UHFFFAOYSA-N -1 3 301.398 2.656 20 0 DFADHM CCC1(CNc2nnc(C)c(C)c2-c2nn[n-]n2)CCCC1 ZINC000820967716 606722736 /nfs/dbraw/zinc/72/27/36/606722736.db2.gz TZEQRXSJNRTICI-UHFFFAOYSA-N -1 3 301.398 2.656 20 0 DFADHM Fc1ccc([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000822765925 606728010 /nfs/dbraw/zinc/72/80/10/606728010.db2.gz BISQNPKUWCTUGU-CQSZACIVSA-N -1 3 309.348 3.000 20 0 DFADHM CCCCCCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821055454 606745924 /nfs/dbraw/zinc/74/59/24/606745924.db2.gz AXMOLEKUNPJKLF-UHFFFAOYSA-N -1 3 310.304 2.882 20 0 DFADHM CCCCCCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821055454 606745926 /nfs/dbraw/zinc/74/59/26/606745926.db2.gz AXMOLEKUNPJKLF-UHFFFAOYSA-N -1 3 310.304 2.882 20 0 DFADHM CCC1(CNC(=O)c2cc(-c3nnn[n-]3)cs2)CCCC1 ZINC000820962485 606743399 /nfs/dbraw/zinc/74/33/99/606743399.db2.gz SOSLTPZBYALSTC-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM CCC1(CNC(=O)c2cc(-c3nn[n-]n3)cs2)CCCC1 ZINC000820962485 606743401 /nfs/dbraw/zinc/74/34/01/606743401.db2.gz SOSLTPZBYALSTC-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM COC(=O)c1ccc(C)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821668666 606761546 /nfs/dbraw/zinc/76/15/46/606761546.db2.gz DBLKWPBHPQIGFG-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM COC(=O)c1ccc(C)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821668666 606761548 /nfs/dbraw/zinc/76/15/48/606761548.db2.gz DBLKWPBHPQIGFG-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820981500 606764682 /nfs/dbraw/zinc/76/46/82/606764682.db2.gz RZHAKSBWPRGEBB-PWSUYJOCSA-N -1 3 316.434 2.732 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820981500 606764683 /nfs/dbraw/zinc/76/46/83/606764683.db2.gz RZHAKSBWPRGEBB-PWSUYJOCSA-N -1 3 316.434 2.732 20 0 DFADHM FC(F)C(F)(F)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822728758 606787057 /nfs/dbraw/zinc/78/70/57/606787057.db2.gz MCFIMCAOKRFLHZ-UHFFFAOYSA-N -1 3 310.638 2.799 20 0 DFADHM FC(F)C(F)(F)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822728758 606787059 /nfs/dbraw/zinc/78/70/59/606787059.db2.gz MCFIMCAOKRFLHZ-UHFFFAOYSA-N -1 3 310.638 2.799 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(Oc2ccnc(C3CC3)n2)c1 ZINC000822573991 606790240 /nfs/dbraw/zinc/79/02/40/606790240.db2.gz MPAMGLWXTOYCTP-UHFFFAOYSA-N -1 3 314.736 2.980 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(Oc2ccnc(C3CC3)n2)c1 ZINC000822573991 606790241 /nfs/dbraw/zinc/79/02/41/606790241.db2.gz MPAMGLWXTOYCTP-UHFFFAOYSA-N -1 3 314.736 2.980 20 0 DFADHM CC[C@H](C)CS[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820870462 606796092 /nfs/dbraw/zinc/79/60/92/606796092.db2.gz SUGHLZHGLCRWKE-WDEREUQCSA-N -1 3 319.434 2.973 20 0 DFADHM CC[C@H](C)CS[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820870462 606796094 /nfs/dbraw/zinc/79/60/94/606796094.db2.gz SUGHLZHGLCRWKE-WDEREUQCSA-N -1 3 319.434 2.973 20 0 DFADHM CC[C@@H](C)CS[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820870460 606796319 /nfs/dbraw/zinc/79/63/19/606796319.db2.gz SUGHLZHGLCRWKE-MNOVXSKESA-N -1 3 319.434 2.973 20 0 DFADHM CC[C@@H](C)CS[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820870460 606796321 /nfs/dbraw/zinc/79/63/21/606796321.db2.gz SUGHLZHGLCRWKE-MNOVXSKESA-N -1 3 319.434 2.973 20 0 DFADHM C[C@H]1CCC[C@@H](CCOC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820698983 606826162 /nfs/dbraw/zinc/82/61/62/606826162.db2.gz XEBMAWWSVRRJDL-RYUDHWBXSA-N -1 3 315.377 2.635 20 0 DFADHM C[C@H]1CCC[C@@H](CCOC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820698983 606826164 /nfs/dbraw/zinc/82/61/64/606826164.db2.gz XEBMAWWSVRRJDL-RYUDHWBXSA-N -1 3 315.377 2.635 20 0 DFADHM CCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)nc1 ZINC000821421660 606826662 /nfs/dbraw/zinc/82/66/62/606826662.db2.gz BUHHFISAHRJSPB-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)nc1 ZINC000821421660 606826665 /nfs/dbraw/zinc/82/66/65/606826665.db2.gz BUHHFISAHRJSPB-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820981047 606834310 /nfs/dbraw/zinc/83/43/10/606834310.db2.gz OSLBJFYTRDPBEE-AAEUAGOBSA-N -1 3 314.393 2.875 20 0 DFADHM CC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820981047 606834311 /nfs/dbraw/zinc/83/43/11/606834311.db2.gz OSLBJFYTRDPBEE-AAEUAGOBSA-N -1 3 314.393 2.875 20 0 DFADHM O[C@H](CSCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823699250 606847126 /nfs/dbraw/zinc/84/71/26/606847126.db2.gz UHKJWRYBVHLGMW-OAHLLOKOSA-N -1 3 312.398 2.834 20 0 DFADHM O[C@H](CSCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823699250 606847127 /nfs/dbraw/zinc/84/71/27/606847127.db2.gz UHKJWRYBVHLGMW-OAHLLOKOSA-N -1 3 312.398 2.834 20 0 DFADHM CC1(C)CCCC[C@@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820596528 606873838 /nfs/dbraw/zinc/87/38/38/606873838.db2.gz QOJAQEPBFCMWIZ-JTQLQIEISA-N -1 3 305.407 2.627 20 0 DFADHM CC1(C)CCCC[C@@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820596528 606873840 /nfs/dbraw/zinc/87/38/40/606873840.db2.gz QOJAQEPBFCMWIZ-JTQLQIEISA-N -1 3 305.407 2.627 20 0 DFADHM CO[C@H](C)CCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821673473 606929641 /nfs/dbraw/zinc/92/96/41/606929641.db2.gz CHNPLDMAPQDNAU-MRVPVSSYSA-N -1 3 315.299 2.722 20 0 DFADHM CO[C@H](C)CCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821673473 606929643 /nfs/dbraw/zinc/92/96/43/606929643.db2.gz CHNPLDMAPQDNAU-MRVPVSSYSA-N -1 3 315.299 2.722 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(CCC2)C1 ZINC000822217305 606954578 /nfs/dbraw/zinc/95/45/78/606954578.db2.gz ARHGQKOFDGZOKQ-UHFFFAOYSA-N -1 3 312.377 2.583 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(CCC2)C1 ZINC000822217305 606954580 /nfs/dbraw/zinc/95/45/80/606954580.db2.gz ARHGQKOFDGZOKQ-UHFFFAOYSA-N -1 3 312.377 2.583 20 0 DFADHM CC[C@]1(C)CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820950479 606956828 /nfs/dbraw/zinc/95/68/28/606956828.db2.gz NZEBXAXPAVUBNJ-OAHLLOKOSA-N -1 3 318.356 2.660 20 0 DFADHM CC[C@]1(C)CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820950479 606956829 /nfs/dbraw/zinc/95/68/29/606956829.db2.gz NZEBXAXPAVUBNJ-OAHLLOKOSA-N -1 3 318.356 2.660 20 0 DFADHM c1cc(-c2nnn[n-]2)sc1CNCc1nc(C2CC2)cs1 ZINC000823821373 607009225 /nfs/dbraw/zinc/00/92/25/607009225.db2.gz TWGLVEIWYFSCNZ-UHFFFAOYSA-N -1 3 318.431 2.552 20 0 DFADHM c1cc(-c2nn[n-]n2)sc1CNCc1nc(C2CC2)cs1 ZINC000823821373 607009227 /nfs/dbraw/zinc/00/92/27/607009227.db2.gz TWGLVEIWYFSCNZ-UHFFFAOYSA-N -1 3 318.431 2.552 20 0 DFADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821014778 607011790 /nfs/dbraw/zinc/01/17/90/607011790.db2.gz KZJIMXVKIZORPL-WDEREUQCSA-N -1 3 319.434 2.652 20 0 DFADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821014778 607011791 /nfs/dbraw/zinc/01/17/91/607011791.db2.gz KZJIMXVKIZORPL-WDEREUQCSA-N -1 3 319.434 2.652 20 0 DFADHM CCO[C@@H](C)c1nc(Cn2cc(C)c(-c3nnn[n-]3)c2)cs1 ZINC000821346411 607021172 /nfs/dbraw/zinc/02/11/72/607021172.db2.gz IAZBNDKURKLNHH-JTQLQIEISA-N -1 3 318.406 2.579 20 0 DFADHM CCO[C@@H](C)c1nc(Cn2cc(C)c(-c3nn[n-]n3)c2)cs1 ZINC000821346411 607021173 /nfs/dbraw/zinc/02/11/73/607021173.db2.gz IAZBNDKURKLNHH-JTQLQIEISA-N -1 3 318.406 2.579 20 0 DFADHM CC=C(C=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)CC ZINC000820826636 607023208 /nfs/dbraw/zinc/02/32/08/607023208.db2.gz OJBYIPIGDPFDKA-MJYGYMJXSA-N -1 3 315.352 2.535 20 0 DFADHM CC=C(C=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)CC ZINC000820826636 607023209 /nfs/dbraw/zinc/02/32/09/607023209.db2.gz OJBYIPIGDPFDKA-MJYGYMJXSA-N -1 3 315.352 2.535 20 0 DFADHM CCc1nc(COc2cc(-c3nnn[n-]3)ccc2C)cs1 ZINC000821509502 607026931 /nfs/dbraw/zinc/02/69/31/607026931.db2.gz IYQIKSPCSQRWPB-UHFFFAOYSA-N -1 3 301.375 2.773 20 0 DFADHM CCc1nc(COc2cc(-c3nn[n-]n3)ccc2C)cs1 ZINC000821509502 607026932 /nfs/dbraw/zinc/02/69/32/607026932.db2.gz IYQIKSPCSQRWPB-UHFFFAOYSA-N -1 3 301.375 2.773 20 0 DFADHM Cc1ncsc1CCOc1cc(-c2nnn[n-]2)ccc1C ZINC000822221294 607027766 /nfs/dbraw/zinc/02/77/66/607027766.db2.gz IZPMLJARUAWNCC-UHFFFAOYSA-N -1 3 301.375 2.562 20 0 DFADHM Cc1ncsc1CCOc1cc(-c2nn[n-]n2)ccc1C ZINC000822221294 607027767 /nfs/dbraw/zinc/02/77/67/607027767.db2.gz IZPMLJARUAWNCC-UHFFFAOYSA-N -1 3 301.375 2.562 20 0 DFADHM CC(C)CO[C@@H]1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000820102609 607044454 /nfs/dbraw/zinc/04/44/54/607044454.db2.gz DKBJWZHJLQXOPW-GFCCVEGCSA-N -1 3 321.812 2.771 20 0 DFADHM CC(C)CO[C@@H]1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820102609 607044456 /nfs/dbraw/zinc/04/44/56/607044456.db2.gz DKBJWZHJLQXOPW-GFCCVEGCSA-N -1 3 321.812 2.771 20 0 DFADHM C[C@@H](O)C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820473492 607045840 /nfs/dbraw/zinc/04/58/40/607045840.db2.gz DYYUPNISSDGKLU-CJNGLKHVSA-N -1 3 323.400 2.833 20 0 DFADHM CC=C(C=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)CC ZINC000820825729 607050107 /nfs/dbraw/zinc/05/01/07/607050107.db2.gz CJDHAPSVHUMXNA-MJYGYMJXSA-N -1 3 315.352 2.535 20 0 DFADHM CC=C(C=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)CC ZINC000820825729 607050109 /nfs/dbraw/zinc/05/01/09/607050109.db2.gz CJDHAPSVHUMXNA-MJYGYMJXSA-N -1 3 315.352 2.535 20 0 DFADHM Cc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)s1 ZINC000822227335 607073802 /nfs/dbraw/zinc/07/38/02/607073802.db2.gz DZTSMUFVVHZKEY-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)s1 ZINC000822227335 607073804 /nfs/dbraw/zinc/07/38/04/607073804.db2.gz DZTSMUFVVHZKEY-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM O=C(C=C1CCCCC1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822924137 607081287 /nfs/dbraw/zinc/08/12/87/607081287.db2.gz YHZLUHJUSRCEKI-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM O=C(C=C1CCCCC1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822924137 607081288 /nfs/dbraw/zinc/08/12/88/607081288.db2.gz YHZLUHJUSRCEKI-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000820690562 607083751 /nfs/dbraw/zinc/08/37/51/607083751.db2.gz NZROKLSROBSPRN-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC000820690562 607083754 /nfs/dbraw/zinc/08/37/54/607083754.db2.gz NZROKLSROBSPRN-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM CC(C)(C)CCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819908293 607083913 /nfs/dbraw/zinc/08/39/13/607083913.db2.gz ZLIPOBZWAKTVEE-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CC(C)(C)CCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819908293 607083915 /nfs/dbraw/zinc/08/39/15/607083915.db2.gz ZLIPOBZWAKTVEE-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820686543 607090652 /nfs/dbraw/zinc/09/06/52/607090652.db2.gz YERKFRYNTZKQED-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820686543 607090653 /nfs/dbraw/zinc/09/06/53/607090653.db2.gz YERKFRYNTZKQED-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM CCC(CC)CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820893802 607090958 /nfs/dbraw/zinc/09/09/58/607090958.db2.gz VTFXHAYDHCQCLI-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CCC[C@@H](CC)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821014316 607091946 /nfs/dbraw/zinc/09/19/46/607091946.db2.gz DPWRUBNEMWKDQG-VXGBXAGGSA-N -1 3 318.377 2.756 20 0 DFADHM CCC[C@@H](CC)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821014316 607091947 /nfs/dbraw/zinc/09/19/47/607091947.db2.gz DPWRUBNEMWKDQG-VXGBXAGGSA-N -1 3 318.377 2.756 20 0 DFADHM CCC[C@H](CC)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821016527 607092504 /nfs/dbraw/zinc/09/25/04/607092504.db2.gz XCRUJHKZLUMUPD-YPMHNXCESA-N -1 3 318.377 2.756 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC=CCC1 ZINC000821294004 607100798 /nfs/dbraw/zinc/10/07/98/607100798.db2.gz PECJYAISABHAIY-LLVKDONJSA-N -1 3 312.377 2.593 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccs1 ZINC000821308625 607101246 /nfs/dbraw/zinc/10/12/46/607101246.db2.gz DSAKVHFQHNQODB-UHFFFAOYSA-N -1 3 314.374 2.612 20 0 DFADHM CC(C)CCC1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820072273 607116979 /nfs/dbraw/zinc/11/69/79/607116979.db2.gz DGEUHGWKKFSRND-UHFFFAOYSA-N -1 3 300.410 2.914 20 0 DFADHM CC(C)CCC1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000820072273 607116981 /nfs/dbraw/zinc/11/69/81/607116981.db2.gz DGEUHGWKKFSRND-UHFFFAOYSA-N -1 3 300.410 2.914 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOC2(CCCC2)C1 ZINC000822743971 607131455 /nfs/dbraw/zinc/13/14/55/607131455.db2.gz JFETVBGSUOYFMP-GFCCVEGCSA-N -1 3 317.368 2.910 20 0 DFADHM Fc1ccc(COc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000822772359 607140392 /nfs/dbraw/zinc/14/03/92/607140392.db2.gz VXROENGUZXRSIV-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(COc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000822772359 607140393 /nfs/dbraw/zinc/14/03/93/607140393.db2.gz VXROENGUZXRSIV-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CC2CCC1CC2 ZINC000823359140 607141858 /nfs/dbraw/zinc/14/18/58/607141858.db2.gz IYVLQYXOVDVSDM-MGULZYLOSA-N -1 3 312.377 2.567 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CC2CCC1CC2 ZINC000823359140 607141860 /nfs/dbraw/zinc/14/18/60/607141860.db2.gz IYVLQYXOVDVSDM-MGULZYLOSA-N -1 3 312.377 2.567 20 0 DFADHM Cc1sc(NC(=O)[C@H]2CC23CCC3)c(-c2nnn[n-]2)c1C ZINC000822559219 607143034 /nfs/dbraw/zinc/14/30/34/607143034.db2.gz YOCUEZUMVCQVAK-SECBINFHSA-N -1 3 303.391 2.674 20 0 DFADHM Cc1sc(NC(=O)[C@H]2CC23CCC3)c(-c2nn[n-]n2)c1C ZINC000822559219 607143036 /nfs/dbraw/zinc/14/30/36/607143036.db2.gz YOCUEZUMVCQVAK-SECBINFHSA-N -1 3 303.391 2.674 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccnc(Cl)c1 ZINC000822136309 607158319 /nfs/dbraw/zinc/15/83/19/607158319.db2.gz LCRUQZQXRVLQBJ-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM c1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000823788312 607168303 /nfs/dbraw/zinc/16/83/03/607168303.db2.gz YIRVDMOOGMLCGE-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM c1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000823788312 607168304 /nfs/dbraw/zinc/16/83/04/607168304.db2.gz YIRVDMOOGMLCGE-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM COCCC1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000821687067 607175495 /nfs/dbraw/zinc/17/54/95/607175495.db2.gz MVXXTZQSRSNGKW-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM COCCC1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000821686846 607175376 /nfs/dbraw/zinc/17/53/76/607175376.db2.gz BTSPAPYUSAZUOS-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM COCCC1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000821686846 607175377 /nfs/dbraw/zinc/17/53/77/607175377.db2.gz BTSPAPYUSAZUOS-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM COCCC1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000821687067 607175494 /nfs/dbraw/zinc/17/54/94/607175494.db2.gz MVXXTZQSRSNGKW-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM COCCC1(CNc2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000821687010 607175525 /nfs/dbraw/zinc/17/55/25/607175525.db2.gz JKJKDOWPPYYLJB-UHFFFAOYSA-N -1 3 324.388 2.644 20 0 DFADHM COCCC1(CNc2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000821687010 607175526 /nfs/dbraw/zinc/17/55/26/607175526.db2.gz JKJKDOWPPYYLJB-UHFFFAOYSA-N -1 3 324.388 2.644 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC000823319819 607189828 /nfs/dbraw/zinc/18/98/28/607189828.db2.gz YXTNPTFFNYZSPF-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccs1 ZINC000823319819 607189829 /nfs/dbraw/zinc/18/98/29/607189829.db2.gz YXTNPTFFNYZSPF-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM CC(C)[C@@H](C)CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820016959 607196267 /nfs/dbraw/zinc/19/62/67/607196267.db2.gz RFPPMIHLAPLNEI-VIFPVBQESA-N -1 3 322.800 2.934 20 0 DFADHM CC(C)[C@@H](C)CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820016959 607196268 /nfs/dbraw/zinc/19/62/68/607196268.db2.gz RFPPMIHLAPLNEI-VIFPVBQESA-N -1 3 322.800 2.934 20 0 DFADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820590008 607202378 /nfs/dbraw/zinc/20/23/78/607202378.db2.gz OVNXHMFQKUKEPT-SECBINFHSA-N -1 3 320.784 2.688 20 0 DFADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820590008 607202379 /nfs/dbraw/zinc/20/23/79/607202379.db2.gz OVNXHMFQKUKEPT-SECBINFHSA-N -1 3 320.784 2.688 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823315027 607242676 /nfs/dbraw/zinc/24/26/76/607242676.db2.gz WLZCTLWOYGOZAZ-IWIIMEHWSA-N -1 3 317.780 2.895 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823315027 607242677 /nfs/dbraw/zinc/24/26/77/607242677.db2.gz WLZCTLWOYGOZAZ-IWIIMEHWSA-N -1 3 317.780 2.895 20 0 DFADHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)sc1C ZINC000822182927 607248550 /nfs/dbraw/zinc/24/85/50/607248550.db2.gz FBDIGJXTUKEQGF-UHFFFAOYSA-N -1 3 318.333 2.903 20 0 DFADHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)sc1C ZINC000822182927 607248551 /nfs/dbraw/zinc/24/85/51/607248551.db2.gz FBDIGJXTUKEQGF-UHFFFAOYSA-N -1 3 318.333 2.903 20 0 DFADHM CCc1cc(C)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000821470487 607249651 /nfs/dbraw/zinc/24/96/51/607249651.db2.gz PRBLNAPFWPSUOR-UHFFFAOYSA-N -1 3 316.292 2.689 20 0 DFADHM CCc1cc(C)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000821470487 607249652 /nfs/dbraw/zinc/24/96/52/607249652.db2.gz PRBLNAPFWPSUOR-UHFFFAOYSA-N -1 3 316.292 2.689 20 0 DFADHM CC[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000820881988 607250327 /nfs/dbraw/zinc/25/03/27/607250327.db2.gz HBOHITQKBQJREO-JTQLQIEISA-N -1 3 306.341 2.984 20 0 DFADHM CC[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000820881988 607250328 /nfs/dbraw/zinc/25/03/28/607250328.db2.gz HBOHITQKBQJREO-JTQLQIEISA-N -1 3 306.341 2.984 20 0 DFADHM Cc1c(NC(=S)NC2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822116259 607252214 /nfs/dbraw/zinc/25/22/14/607252214.db2.gz ORWQEVTTWFLBAQ-UHFFFAOYSA-N -1 3 316.434 2.794 20 0 DFADHM Cc1c(NC(=S)NC2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822116259 607252215 /nfs/dbraw/zinc/25/22/15/607252215.db2.gz ORWQEVTTWFLBAQ-UHFFFAOYSA-N -1 3 316.434 2.794 20 0 DFADHM O=C(Nc1cccc2ccsc21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826457140 607776897 /nfs/dbraw/zinc/77/68/97/607776897.db2.gz NNFXSABLGGHAMY-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(Nc1cccc2ccsc21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826457140 607776898 /nfs/dbraw/zinc/77/68/98/607776898.db2.gz NNFXSABLGGHAMY-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM CN(C(=O)/C=C\C1CCCCC1)c1ccccc1-c1nnn[n-]1 ZINC000825812289 607786252 /nfs/dbraw/zinc/78/62/52/607786252.db2.gz JTJIGCWBDVDUJL-QXMHVHEDSA-N -1 3 311.389 2.966 20 0 DFADHM CN(C(=O)/C=C\C1CCCCC1)c1ccccc1-c1nn[n-]n1 ZINC000825812289 607786253 /nfs/dbraw/zinc/78/62/53/607786253.db2.gz JTJIGCWBDVDUJL-QXMHVHEDSA-N -1 3 311.389 2.966 20 0 DFADHM Cc1cccc(CCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826297464 607788328 /nfs/dbraw/zinc/78/83/28/607788328.db2.gz IWUGZVXJYGGRAF-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM Cc1cccc(CCC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826297464 607788329 /nfs/dbraw/zinc/78/83/29/607788329.db2.gz IWUGZVXJYGGRAF-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CC[C@@H](CC(=O)N(C)c1ccccc1-c1nnn[n-]1)C(C)C ZINC000825082438 607790497 /nfs/dbraw/zinc/79/04/97/607790497.db2.gz TZTKLTMQEIIQCZ-LBPRGKRZSA-N -1 3 301.394 2.902 20 0 DFADHM CC[C@@H](CC(=O)N(C)c1ccccc1-c1nn[n-]n1)C(C)C ZINC000825082438 607790498 /nfs/dbraw/zinc/79/04/98/607790498.db2.gz TZTKLTMQEIIQCZ-LBPRGKRZSA-N -1 3 301.394 2.902 20 0 DFADHM Cc1sc(NC(=O)c2ccc(C)cn2)c(-c2nnn[n-]2)c1C ZINC000826282304 607793093 /nfs/dbraw/zinc/79/30/93/607793093.db2.gz IAXZEJWURIDYKJ-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM Cc1sc(NC(=O)c2ccc(C)cn2)c(-c2nn[n-]n2)c1C ZINC000826282304 607793094 /nfs/dbraw/zinc/79/30/94/607793094.db2.gz IAXZEJWURIDYKJ-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM c1coc(-c2oncc2CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826517109 607814293 /nfs/dbraw/zinc/81/42/93/607814293.db2.gz QPNFDVCDCJCOTN-UHFFFAOYSA-N -1 3 308.301 2.727 20 0 DFADHM c1coc(-c2oncc2CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826517109 607814294 /nfs/dbraw/zinc/81/42/94/607814294.db2.gz QPNFDVCDCJCOTN-UHFFFAOYSA-N -1 3 308.301 2.727 20 0 DFADHM Fc1ccc(N2CCC(c3ccccn3)CC2)c(-c2nnn[n-]2)c1 ZINC000826375132 607820419 /nfs/dbraw/zinc/82/04/19/607820419.db2.gz AULYBLWEXWBHGV-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1ccc(N2CCC(c3ccccn3)CC2)c(-c2nn[n-]n2)c1 ZINC000826375132 607820420 /nfs/dbraw/zinc/82/04/20/607820420.db2.gz AULYBLWEXWBHGV-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM CC[C@@H](C)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825067106 607832191 /nfs/dbraw/zinc/83/21/91/607832191.db2.gz HOIXYMZQCFZZOJ-ZCFIWIBFSA-N -1 3 314.176 2.702 20 0 DFADHM CC[C@@H](C)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825067106 607832192 /nfs/dbraw/zinc/83/21/92/607832192.db2.gz HOIXYMZQCFZZOJ-ZCFIWIBFSA-N -1 3 314.176 2.702 20 0 DFADHM O=C1OCC[C@@H]1CCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826483371 607844256 /nfs/dbraw/zinc/84/42/56/607844256.db2.gz LJBBGHQURQPKBS-MRVPVSSYSA-N -1 3 324.793 2.565 20 0 DFADHM O=C1OCC[C@@H]1CCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826483371 607844257 /nfs/dbraw/zinc/84/42/57/607844257.db2.gz LJBBGHQURQPKBS-MRVPVSSYSA-N -1 3 324.793 2.565 20 0 DFADHM COC(=O)/C(C)=C\CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826098634 607844588 /nfs/dbraw/zinc/84/45/88/607844588.db2.gz KLFHJRCOXVPOAV-YVMONPNESA-N -1 3 324.793 2.732 20 0 DFADHM COC(=O)/C(C)=C\CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826098634 607844589 /nfs/dbraw/zinc/84/45/89/607844589.db2.gz KLFHJRCOXVPOAV-YVMONPNESA-N -1 3 324.793 2.732 20 0 DFADHM Cc1cnccc1CCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000826319899 607850749 /nfs/dbraw/zinc/85/07/49/607850749.db2.gz YBQPSVXSCKYAEA-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1cnccc1CCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000826319899 607850750 /nfs/dbraw/zinc/85/07/50/607850750.db2.gz YBQPSVXSCKYAEA-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM CC1(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC000824828969 607857313 /nfs/dbraw/zinc/85/73/13/607857313.db2.gz BRMGWDRNCAGNNX-UHFFFAOYSA-N -1 3 306.757 2.584 20 0 DFADHM CC1(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC000824828969 607857312 /nfs/dbraw/zinc/85/73/12/607857312.db2.gz BRMGWDRNCAGNNX-UHFFFAOYSA-N -1 3 306.757 2.584 20 0 DFADHM CC(C)(C)c1ccccc1NC(=O)Cn1ccc(-c2nnn[n-]2)c1 ZINC000824136385 607890620 /nfs/dbraw/zinc/89/06/20/607890620.db2.gz PAOBPWNJTFCELC-UHFFFAOYSA-N -1 3 324.388 2.604 20 0 DFADHM CC(C)(C)c1ccccc1NC(=O)Cn1ccc(-c2nn[n-]n2)c1 ZINC000824136385 607890621 /nfs/dbraw/zinc/89/06/21/607890621.db2.gz PAOBPWNJTFCELC-UHFFFAOYSA-N -1 3 324.388 2.604 20 0 DFADHM Brc1ccc(Cn2ccc(-c3nnn[n-]3)c2)s1 ZINC000823827210 607892214 /nfs/dbraw/zinc/89/22/14/607892214.db2.gz XMEAGWFFLVNYMI-UHFFFAOYSA-N -1 3 310.180 2.541 20 0 DFADHM Brc1ccc(Cn2ccc(-c3nn[n-]n3)c2)s1 ZINC000823827210 607892215 /nfs/dbraw/zinc/89/22/15/607892215.db2.gz XMEAGWFFLVNYMI-UHFFFAOYSA-N -1 3 310.180 2.541 20 0 DFADHM Cc1ccc(-c2nc(Cn3ccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000826273823 607892502 /nfs/dbraw/zinc/89/25/02/607892502.db2.gz VZPZGHVRXQXSCP-UHFFFAOYSA-N -1 3 312.358 2.741 20 0 DFADHM Cc1ccc(-c2nc(Cn3ccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000826273823 607892503 /nfs/dbraw/zinc/89/25/03/607892503.db2.gz VZPZGHVRXQXSCP-UHFFFAOYSA-N -1 3 312.358 2.741 20 0 DFADHM Fc1ccc(Br)c(Cn2ccc(-c3nnn[n-]3)c2)c1 ZINC000826373299 607892523 /nfs/dbraw/zinc/89/25/23/607892523.db2.gz HJKCFZFUMCOLON-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM Fc1ccc(Br)c(Cn2ccc(-c3nn[n-]n3)c2)c1 ZINC000826373299 607892524 /nfs/dbraw/zinc/89/25/24/607892524.db2.gz HJKCFZFUMCOLON-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM c1cc(Nc2ccc(NC3CCCC3)nc2)nc(-c2nnn[n-]2)c1 ZINC000826517818 607898666 /nfs/dbraw/zinc/89/86/66/607898666.db2.gz PRJWHZUKWRKTEB-UHFFFAOYSA-N -1 3 322.376 2.755 20 0 DFADHM CC(C)Oc1cccc(CN(C)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000824334216 607903549 /nfs/dbraw/zinc/90/35/49/607903549.db2.gz RXXYEMRRRMDYBA-UHFFFAOYSA-N -1 3 324.388 2.685 20 0 DFADHM CC(C)Oc1cccc(CN(C)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000824334216 607903550 /nfs/dbraw/zinc/90/35/50/607903550.db2.gz RXXYEMRRRMDYBA-UHFFFAOYSA-N -1 3 324.388 2.685 20 0 DFADHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CCC1 ZINC000824662779 607904568 /nfs/dbraw/zinc/90/45/68/607904568.db2.gz RQRVYBNGRAUVGU-ZETCQYMHSA-N -1 3 312.299 2.881 20 0 DFADHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CCC1 ZINC000824662779 607904569 /nfs/dbraw/zinc/90/45/69/607904569.db2.gz RQRVYBNGRAUVGU-ZETCQYMHSA-N -1 3 312.299 2.881 20 0 DFADHM CS[C@H](C)CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826224980 607945515 /nfs/dbraw/zinc/94/55/15/607945515.db2.gz QNXJRYWCVNKZJC-NXEZZACHSA-N -1 3 306.391 2.613 20 0 DFADHM CS[C@H](C)CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826224980 607945516 /nfs/dbraw/zinc/94/55/16/607945516.db2.gz QNXJRYWCVNKZJC-NXEZZACHSA-N -1 3 306.391 2.613 20 0 DFADHM CC(C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)=C1CCCC1 ZINC000824041021 607946016 /nfs/dbraw/zinc/94/60/16/607946016.db2.gz WYBBXFZFTDBBTM-UHFFFAOYSA-N -1 3 309.373 2.646 20 0 DFADHM CC(C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)=C1CCCC1 ZINC000824041021 607946017 /nfs/dbraw/zinc/94/60/17/607946017.db2.gz WYBBXFZFTDBBTM-UHFFFAOYSA-N -1 3 309.373 2.646 20 0 DFADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1C ZINC000826282067 607946453 /nfs/dbraw/zinc/94/64/53/607946453.db2.gz WTYYCWKUBPTDHV-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1C ZINC000826282067 607946454 /nfs/dbraw/zinc/94/64/54/607946454.db2.gz WTYYCWKUBPTDHV-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824899987 607947789 /nfs/dbraw/zinc/94/77/89/607947789.db2.gz RCUAIIKEFBJLRA-LWMMSDEHSA-N -1 3 309.373 2.502 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824899987 607947790 /nfs/dbraw/zinc/94/77/90/607947790.db2.gz RCUAIIKEFBJLRA-LWMMSDEHSA-N -1 3 309.373 2.502 20 0 DFADHM Cc1cc(F)ccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826267951 607948592 /nfs/dbraw/zinc/94/85/92/607948592.db2.gz DHGVTTGSCAMVLI-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM Cc1cc(F)ccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826267951 607948593 /nfs/dbraw/zinc/94/85/93/607948593.db2.gz DHGVTTGSCAMVLI-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM CC=C(C=CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)CC ZINC000825027994 607955762 /nfs/dbraw/zinc/95/57/62/607955762.db2.gz BRVCCUYGZOYETG-NBKHWYKPSA-N -1 3 309.373 2.668 20 0 DFADHM CC=C(C=CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)CC ZINC000825027994 607955763 /nfs/dbraw/zinc/95/57/63/607955763.db2.gz BRVCCUYGZOYETG-NBKHWYKPSA-N -1 3 309.373 2.668 20 0 DFADHM C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824948703 607987742 /nfs/dbraw/zinc/98/77/42/607987742.db2.gz VBUGAACRBGIEOW-VIFPVBQESA-N -1 3 322.210 2.866 20 0 DFADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824662618 608016990 /nfs/dbraw/zinc/01/69/90/608016990.db2.gz OANSLCCOLNJVDC-SSDOTTSWSA-N -1 3 323.282 2.782 20 0 DFADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824662618 608016991 /nfs/dbraw/zinc/01/69/91/608016991.db2.gz OANSLCCOLNJVDC-SSDOTTSWSA-N -1 3 323.282 2.782 20 0 DFADHM C[C@@H]1[C@@H](C)CCN1c1ccc(-c2nn[n-]n2)cc1Br ZINC000824961858 608050540 /nfs/dbraw/zinc/05/05/40/608050540.db2.gz KDDKEFCQWBIFCP-DTWKUNHWSA-N -1 3 322.210 2.864 20 0 DFADHM Brc1cc(-c2nn[n-]n2)ccc1NC1CC=CC1 ZINC000823826258 608051112 /nfs/dbraw/zinc/05/11/12/608051112.db2.gz FLSVYSFXOYWNJP-UHFFFAOYSA-N -1 3 306.167 2.760 20 0 DFADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824907260 608078625 /nfs/dbraw/zinc/07/86/25/608078625.db2.gz HKCUVQUXHMEYOD-NXEZZACHSA-N -1 3 318.356 2.658 20 0 DFADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824907260 608078626 /nfs/dbraw/zinc/07/86/26/608078626.db2.gz HKCUVQUXHMEYOD-NXEZZACHSA-N -1 3 318.356 2.658 20 0 DFADHM O=C(Nc1scnc1C1CC1)c1sccc1-c1nnn[n-]1 ZINC000826461090 608102261 /nfs/dbraw/zinc/10/22/61/608102261.db2.gz FYLGEUBFBYPTPW-UHFFFAOYSA-N -1 3 318.387 2.514 20 0 DFADHM O=C(Nc1scnc1C1CC1)c1sccc1-c1nn[n-]n1 ZINC000826461090 608102262 /nfs/dbraw/zinc/10/22/62/608102262.db2.gz FYLGEUBFBYPTPW-UHFFFAOYSA-N -1 3 318.387 2.514 20 0 DFADHM CCC[C@@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825226231 608115570 /nfs/dbraw/zinc/11/55/70/608115570.db2.gz ZBCSOBIFVNWCJZ-OAHLLOKOSA-N -1 3 315.421 2.897 20 0 DFADHM CCC[C@@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825226231 608115571 /nfs/dbraw/zinc/11/55/71/608115571.db2.gz ZBCSOBIFVNWCJZ-OAHLLOKOSA-N -1 3 315.421 2.897 20 0 DFADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2)nn1[C@H](C)C1CC1 ZINC000826271607 608133955 /nfs/dbraw/zinc/13/39/55/608133955.db2.gz YSAGFCXPYRECJE-GFCCVEGCSA-N -1 3 323.404 2.955 20 0 DFADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)nn1[C@H](C)C1CC1 ZINC000826271607 608133956 /nfs/dbraw/zinc/13/39/56/608133956.db2.gz YSAGFCXPYRECJE-GFCCVEGCSA-N -1 3 323.404 2.955 20 0 DFADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CC[C@H](C2CC2)C1 ZINC000826522609 608152108 /nfs/dbraw/zinc/15/21/08/608152108.db2.gz HZDFGQZBQQAOJF-LBPRGKRZSA-N -1 3 306.373 2.651 20 0 DFADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CC[C@H](C2CC2)C1 ZINC000826522609 608152109 /nfs/dbraw/zinc/15/21/09/608152109.db2.gz HZDFGQZBQQAOJF-LBPRGKRZSA-N -1 3 306.373 2.651 20 0 DFADHM c1cn(Cc2cccc(-c3nnn[n-]3)c2)nc1-c1ccccc1 ZINC000826519043 608152801 /nfs/dbraw/zinc/15/28/01/608152801.db2.gz HUOYBEPLCRYDGW-UHFFFAOYSA-N -1 3 302.341 2.779 20 0 DFADHM c1cn(Cc2cccc(-c3nn[n-]n3)c2)nc1-c1ccccc1 ZINC000826519043 608152803 /nfs/dbraw/zinc/15/28/03/608152803.db2.gz HUOYBEPLCRYDGW-UHFFFAOYSA-N -1 3 302.341 2.779 20 0 DFADHM COc1ccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826211764 608168130 /nfs/dbraw/zinc/16/81/30/608168130.db2.gz SZSDOGRCMFAQOJ-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM COc1ccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826211764 608168133 /nfs/dbraw/zinc/16/81/33/608168133.db2.gz SZSDOGRCMFAQOJ-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM C[C@@H]1C[C@H](CNc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824882575 608195353 /nfs/dbraw/zinc/19/53/53/608195353.db2.gz BWJBTFOCIBWPIQ-VXGBXAGGSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H]1C[C@H](CNc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824882575 608195355 /nfs/dbraw/zinc/19/53/55/608195355.db2.gz BWJBTFOCIBWPIQ-VXGBXAGGSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H]1C[C@@H](CNc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824882831 608195506 /nfs/dbraw/zinc/19/55/06/608195506.db2.gz CRQPAIYAVQHMLW-ZJUUUORDSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H]1C[C@@H](CNc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824882831 608195507 /nfs/dbraw/zinc/19/55/07/608195507.db2.gz CRQPAIYAVQHMLW-ZJUUUORDSA-N -1 3 307.785 2.747 20 0 DFADHM CCC1(CC)[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)[C@@H]1OC ZINC000825170985 608197212 /nfs/dbraw/zinc/19/72/12/608197212.db2.gz LIFQUIWQYATFTD-HONMWMINSA-N -1 3 316.409 2.513 20 0 DFADHM CCC1(CC)[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)[C@@H]1OC ZINC000825170985 608197214 /nfs/dbraw/zinc/19/72/14/608197214.db2.gz LIFQUIWQYATFTD-HONMWMINSA-N -1 3 316.409 2.513 20 0 DFADHM CCOC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825486303 608205954 /nfs/dbraw/zinc/20/59/54/608205954.db2.gz QJQHPEHAIFUTNA-ZETCQYMHSA-N -1 3 312.782 2.564 20 0 DFADHM CCOC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825486303 608205955 /nfs/dbraw/zinc/20/59/55/608205955.db2.gz QJQHPEHAIFUTNA-ZETCQYMHSA-N -1 3 312.782 2.564 20 0 DFADHM Cc1cccnc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826307924 608218667 /nfs/dbraw/zinc/21/86/67/608218667.db2.gz BSRCBZHAEUNCGH-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1cccnc1COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826307924 608218668 /nfs/dbraw/zinc/21/86/68/608218668.db2.gz BSRCBZHAEUNCGH-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM CSCC[C@@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826228292 608228821 /nfs/dbraw/zinc/22/88/21/608228821.db2.gz KXARYFPPWIBASA-SNVBAGLBSA-N -1 3 314.418 2.968 20 0 DFADHM CSCC[C@@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826228292 608228823 /nfs/dbraw/zinc/22/88/23/608228823.db2.gz KXARYFPPWIBASA-SNVBAGLBSA-N -1 3 314.418 2.968 20 0 DFADHM c1cc2nc(N3CCC4(CCC4)C3)ccc2cc1-c1nnn[n-]1 ZINC000826518488 608233811 /nfs/dbraw/zinc/23/38/11/608233811.db2.gz PFDHKLMHDSOZPA-UHFFFAOYSA-N -1 3 306.373 2.795 20 0 DFADHM c1cc2nc(N3CCC4(CCC4)C3)ccc2cc1-c1nn[n-]n1 ZINC000826518488 608233813 /nfs/dbraw/zinc/23/38/13/608233813.db2.gz PFDHKLMHDSOZPA-UHFFFAOYSA-N -1 3 306.373 2.795 20 0 DFADHM CSc1cc(CNc2cccc(F)c2-c2nnn[n-]2)ccn1 ZINC000826230149 608241880 /nfs/dbraw/zinc/24/18/80/608241880.db2.gz GYOIJAQCZBRCJR-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM CSc1cc(CNc2cccc(F)c2-c2nn[n-]n2)ccn1 ZINC000826230149 608241881 /nfs/dbraw/zinc/24/18/81/608241881.db2.gz GYOIJAQCZBRCJR-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825195000 608265345 /nfs/dbraw/zinc/26/53/45/608265345.db2.gz UNVDGFAATZOGMG-GXSJLCMTSA-N -1 3 318.356 2.801 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825195000 608265346 /nfs/dbraw/zinc/26/53/46/608265346.db2.gz UNVDGFAATZOGMG-GXSJLCMTSA-N -1 3 318.356 2.801 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000826276393 608277108 /nfs/dbraw/zinc/27/71/08/608277108.db2.gz DUNJBSIJHZGKIT-NOZJJQNGSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000826276393 608277109 /nfs/dbraw/zinc/27/71/09/608277109.db2.gz DUNJBSIJHZGKIT-NOZJJQNGSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCc3c2cccc3F)n1 ZINC000826276224 608277117 /nfs/dbraw/zinc/27/71/17/608277117.db2.gz XZCXMNDFABQCPN-CQSZACIVSA-N -1 3 310.336 2.809 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCc3c2cccc3F)n1 ZINC000826276224 608277118 /nfs/dbraw/zinc/27/71/18/608277118.db2.gz XZCXMNDFABQCPN-CQSZACIVSA-N -1 3 310.336 2.809 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)Cc2ccsc2)n1 ZINC000826274996 608277249 /nfs/dbraw/zinc/27/72/49/608277249.db2.gz LIZJBYFXZHUFSA-SNVBAGLBSA-N -1 3 300.391 2.675 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)Cc2ccsc2)n1 ZINC000826274996 608277251 /nfs/dbraw/zinc/27/72/51/608277251.db2.gz LIZJBYFXZHUFSA-SNVBAGLBSA-N -1 3 300.391 2.675 20 0 DFADHM Cc1ccc2c(c1)CC[C@H]2Nc1nc(C)ccc1-c1nnn[n-]1 ZINC000826293846 608277848 /nfs/dbraw/zinc/27/78/48/608277848.db2.gz COUMPPLHAXAYNC-OAHLLOKOSA-N -1 3 306.373 2.978 20 0 DFADHM Cc1ccc2c(c1)CC[C@H]2Nc1nc(C)ccc1-c1nn[n-]n1 ZINC000826293846 608277850 /nfs/dbraw/zinc/27/78/50/608277850.db2.gz COUMPPLHAXAYNC-OAHLLOKOSA-N -1 3 306.373 2.978 20 0 DFADHM CCOc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000825637948 608278280 /nfs/dbraw/zinc/27/82/80/608278280.db2.gz CFKAIJSFDIOGPC-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000825637948 608278281 /nfs/dbraw/zinc/27/82/81/608278281.db2.gz CFKAIJSFDIOGPC-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCc3c2cccc3C)n1 ZINC000826275598 608283557 /nfs/dbraw/zinc/28/35/57/608283557.db2.gz FAOMGNKYXWWRSC-HNNXBMFYSA-N -1 3 306.373 2.978 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCc3c2cccc3C)n1 ZINC000826275598 608283558 /nfs/dbraw/zinc/28/35/58/608283558.db2.gz FAOMGNKYXWWRSC-HNNXBMFYSA-N -1 3 306.373 2.978 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCc3ccccc32)n1 ZINC000826275573 608286648 /nfs/dbraw/zinc/28/66/48/608286648.db2.gz DIUJBQRLFAOEGV-CYBMUJFWSA-N -1 3 306.373 2.712 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCc3ccccc32)n1 ZINC000826275573 608286650 /nfs/dbraw/zinc/28/66/50/608286650.db2.gz DIUJBQRLFAOEGV-CYBMUJFWSA-N -1 3 306.373 2.712 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000826273953 608287803 /nfs/dbraw/zinc/28/78/03/608287803.db2.gz BGGLOSAKFDOUID-KRWDZBQOSA-N -1 3 310.405 2.897 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000826273953 608287804 /nfs/dbraw/zinc/28/78/04/608287804.db2.gz BGGLOSAKFDOUID-KRWDZBQOSA-N -1 3 310.405 2.897 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)COCc2ccccc2)n1 ZINC000826274779 608292257 /nfs/dbraw/zinc/29/22/57/608292257.db2.gz FAQYZVMKPCRNCM-ZDUSSCGKSA-N -1 3 324.388 2.587 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)COCc2ccccc2)n1 ZINC000826274779 608292259 /nfs/dbraw/zinc/29/22/59/608292259.db2.gz FAQYZVMKPCRNCM-ZDUSSCGKSA-N -1 3 324.388 2.587 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000826274071 608295048 /nfs/dbraw/zinc/29/50/48/608295048.db2.gz FXMCPWVDKNLMIV-ZDUSSCGKSA-N -1 3 324.363 2.703 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000826274071 608295049 /nfs/dbraw/zinc/29/50/49/608295049.db2.gz FXMCPWVDKNLMIV-ZDUSSCGKSA-N -1 3 324.363 2.703 20 0 DFADHM CS[C@H](C)CCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826226007 608301043 /nfs/dbraw/zinc/30/10/43/608301043.db2.gz QALHZZHBKIGYDQ-GHMZBOCLSA-N -1 3 319.434 2.576 20 0 DFADHM CS[C@H](C)CCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826226007 608301044 /nfs/dbraw/zinc/30/10/44/608301044.db2.gz QALHZZHBKIGYDQ-GHMZBOCLSA-N -1 3 319.434 2.576 20 0 DFADHM CCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825224954 608305004 /nfs/dbraw/zinc/30/50/04/608305004.db2.gz HXYOSNDUDUWBGW-UHFFFAOYSA-N -1 3 321.384 2.950 20 0 DFADHM CCCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825224954 608305006 /nfs/dbraw/zinc/30/50/06/608305006.db2.gz HXYOSNDUDUWBGW-UHFFFAOYSA-N -1 3 321.384 2.950 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)cc(F)c1 ZINC000826170610 608319246 /nfs/dbraw/zinc/31/92/46/608319246.db2.gz IBBIFSHQOPYKGL-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)cc(F)c1 ZINC000826170610 608319247 /nfs/dbraw/zinc/31/92/47/608319247.db2.gz IBBIFSHQOPYKGL-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CS[C@@H](C)CCC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826225982 608331539 /nfs/dbraw/zinc/33/15/39/608331539.db2.gz PGMXKJATAKVORK-VIFPVBQESA-N -1 3 324.381 2.581 20 0 DFADHM CS[C@@H](C)CCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826225982 608331540 /nfs/dbraw/zinc/33/15/40/608331540.db2.gz PGMXKJATAKVORK-VIFPVBQESA-N -1 3 324.381 2.581 20 0 DFADHM C/C=C(/C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825029587 608343384 /nfs/dbraw/zinc/34/33/84/608343384.db2.gz XARHSUQQFWJOLX-WTKPLQERSA-N -1 3 305.769 2.839 20 0 DFADHM C/C=C(/C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825029587 608343386 /nfs/dbraw/zinc/34/33/86/608343386.db2.gz XARHSUQQFWJOLX-WTKPLQERSA-N -1 3 305.769 2.839 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825232152 608348826 /nfs/dbraw/zinc/34/88/26/608348826.db2.gz CYAASXPHGIBYDT-DHZHZOJOSA-N -1 3 316.361 2.665 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825232152 608348828 /nfs/dbraw/zinc/34/88/28/608348828.db2.gz CYAASXPHGIBYDT-DHZHZOJOSA-N -1 3 316.361 2.665 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)C(C)(C)C ZINC000826170671 608359591 /nfs/dbraw/zinc/35/95/91/608359591.db2.gz KNTXOWLDVZMJMM-SNVBAGLBSA-N -1 3 318.377 2.601 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)C(C)(C)C ZINC000826170671 608359593 /nfs/dbraw/zinc/35/95/93/608359593.db2.gz KNTXOWLDVZMJMM-SNVBAGLBSA-N -1 3 318.377 2.601 20 0 DFADHM C[C@H](c1ccccn1)N(C)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824770362 608375668 /nfs/dbraw/zinc/37/56/68/608375668.db2.gz JMVYUDUIRLBMOS-SECBINFHSA-N -1 3 316.315 2.737 20 0 DFADHM C[C@H](c1ccccn1)N(C)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824770362 608375670 /nfs/dbraw/zinc/37/56/70/608375670.db2.gz JMVYUDUIRLBMOS-SECBINFHSA-N -1 3 316.315 2.737 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826145795 608417106 /nfs/dbraw/zinc/41/71/06/608417106.db2.gz MGSHMWCOVMNREQ-RNCFNFMXSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826145795 608417107 /nfs/dbraw/zinc/41/71/07/608417107.db2.gz MGSHMWCOVMNREQ-RNCFNFMXSA-N -1 3 307.785 2.747 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)C1CCCCC1 ZINC000826465890 608435892 /nfs/dbraw/zinc/43/58/92/608435892.db2.gz HORGQSYNGDSKDU-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)C1CCCCC1 ZINC000826465890 608435891 /nfs/dbraw/zinc/43/58/91/608435891.db2.gz HORGQSYNGDSKDU-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CC1(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)CCCC1 ZINC000824783296 608438082 /nfs/dbraw/zinc/43/80/82/608438082.db2.gz FHMKAKUMOQJOIP-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CC1(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)CCCC1 ZINC000824783296 608438085 /nfs/dbraw/zinc/43/80/85/608438085.db2.gz FHMKAKUMOQJOIP-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM c1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000823868168 608441386 /nfs/dbraw/zinc/44/13/86/608441386.db2.gz PHGBYRXKSZMHKU-UHFFFAOYSA-N -1 3 304.357 2.555 20 0 DFADHM CCC/C(C)=C\C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825232141 608444428 /nfs/dbraw/zinc/44/44/28/608444428.db2.gz CPSXWEPUWLNSSN-NTMALXAHSA-N -1 3 304.325 2.795 20 0 DFADHM CCC/C(C)=C\C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825232141 608444429 /nfs/dbraw/zinc/44/44/29/608444429.db2.gz CPSXWEPUWLNSSN-NTMALXAHSA-N -1 3 304.325 2.795 20 0 DFADHM Fc1cccc2c1CN(c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000826378034 608447189 /nfs/dbraw/zinc/44/71/89/608447189.db2.gz ROMARTIZMDAVBU-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1cccc2c1CN(c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000826378034 608447190 /nfs/dbraw/zinc/44/71/90/608447190.db2.gz ROMARTIZMDAVBU-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H]1CC12CCCC2 ZINC000826466198 608452243 /nfs/dbraw/zinc/45/22/43/608452243.db2.gz SFQZSVUMOIQGFX-GFCCVEGCSA-N -1 3 316.336 2.629 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H]1CC12CCCC2 ZINC000826466198 608452244 /nfs/dbraw/zinc/45/22/44/608452244.db2.gz SFQZSVUMOIQGFX-GFCCVEGCSA-N -1 3 316.336 2.629 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)C(F)=C1CCCC1 ZINC000826465871 608453553 /nfs/dbraw/zinc/45/35/53/608453553.db2.gz HAIAETSVPGMAIX-UHFFFAOYSA-N -1 3 320.299 2.847 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)C(F)=C1CCCC1 ZINC000826465871 608453554 /nfs/dbraw/zinc/45/35/54/608453554.db2.gz HAIAETSVPGMAIX-UHFFFAOYSA-N -1 3 320.299 2.847 20 0 DFADHM C[C@H](NCc1ncc(C2CC2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824635108 608461638 /nfs/dbraw/zinc/46/16/38/608461638.db2.gz ZAAQGCQMEJADFP-JTQLQIEISA-N -1 3 310.361 2.583 20 0 DFADHM C[C@H](NCc1ncc(C2CC2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824635108 608461639 /nfs/dbraw/zinc/46/16/39/608461639.db2.gz ZAAQGCQMEJADFP-JTQLQIEISA-N -1 3 310.361 2.583 20 0 DFADHM CSC(C)(C)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826225183 608478013 /nfs/dbraw/zinc/47/80/13/608478013.db2.gz VSPVRASNURKUHI-HJWRWDBZSA-N -1 3 318.402 2.565 20 0 DFADHM CSC(C)(C)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826225183 608478016 /nfs/dbraw/zinc/47/80/16/608478016.db2.gz VSPVRASNURKUHI-HJWRWDBZSA-N -1 3 318.402 2.565 20 0 DFADHM COc1ccccc1CN(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000826219781 608499223 /nfs/dbraw/zinc/49/92/23/608499223.db2.gz QHTJFWGTDJWXLH-UHFFFAOYSA-N -1 3 315.402 2.569 20 0 DFADHM COc1ccccc1CN(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000826219781 608499224 /nfs/dbraw/zinc/49/92/24/608499224.db2.gz QHTJFWGTDJWXLH-UHFFFAOYSA-N -1 3 315.402 2.569 20 0 DFADHM Fc1ccc(N2CCC(c3cccnc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826375522 608554061 /nfs/dbraw/zinc/55/40/61/608554061.db2.gz QUERNVDGXWVRAL-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1ccc(N2CCC(c3cccnc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826375522 608554063 /nfs/dbraw/zinc/55/40/63/608554063.db2.gz QUERNVDGXWVRAL-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000825830803 608571913 /nfs/dbraw/zinc/57/19/13/608571913.db2.gz XVUOJXXERNQFHP-UHFFFAOYSA-N -1 3 319.796 2.925 20 0 DFADHM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000825830803 608571916 /nfs/dbraw/zinc/57/19/16/608571916.db2.gz XVUOJXXERNQFHP-UHFFFAOYSA-N -1 3 319.796 2.925 20 0 DFADHM CC(C)[C@H](O)C1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000824200409 608586147 /nfs/dbraw/zinc/58/61/47/608586147.db2.gz QKJSAAIFWJHSMQ-ZDUSSCGKSA-N -1 3 321.812 2.729 20 0 DFADHM CC(C)[C@H](O)C1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000824200409 608586149 /nfs/dbraw/zinc/58/61/49/608586149.db2.gz QKJSAAIFWJHSMQ-ZDUSSCGKSA-N -1 3 321.812 2.729 20 0 DFADHM Cc1cc([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)s2)on1 ZINC000826265592 608601538 /nfs/dbraw/zinc/60/15/38/608601538.db2.gz GJTCRDQHMHFCBR-NSHDSACASA-N -1 3 316.390 2.562 20 0 DFADHM CCN(CCC(F)(F)F)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825420001 608659690 /nfs/dbraw/zinc/65/96/90/608659690.db2.gz XMRRHSHYLNDWGD-UHFFFAOYSA-N -1 3 305.329 2.703 20 0 DFADHM Fc1c(CN2CCc3sccc3C2)cccc1-c1nnn[n-]1 ZINC000826371186 608646167 /nfs/dbraw/zinc/64/61/67/608646167.db2.gz WDQMJVFBAAYKGO-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1c(CN2CCc3sccc3C2)cccc1-c1nn[n-]n1 ZINC000826371186 608646168 /nfs/dbraw/zinc/64/61/68/608646168.db2.gz WDQMJVFBAAYKGO-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c(F)c1 ZINC000826375940 608670119 /nfs/dbraw/zinc/67/01/19/608670119.db2.gz IITUXQRPZJUIFQ-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(OCc2cccc(-c3nn[n-]n3)c2F)c(F)c1 ZINC000826375940 608670120 /nfs/dbraw/zinc/67/01/20/608670120.db2.gz IITUXQRPZJUIFQ-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM c1cc2c(s1)CN(Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000826518509 608706140 /nfs/dbraw/zinc/70/61/40/608706140.db2.gz PVDNJYANVCTTRR-UHFFFAOYSA-N -1 3 303.416 2.548 20 0 DFADHM CC(C)Oc1ccc(CCNc2cnccc2-c2nnn[n-]2)cc1 ZINC000824325018 608771473 /nfs/dbraw/zinc/77/14/73/608771473.db2.gz YGBYGFXLVAGRNS-UHFFFAOYSA-N -1 3 324.388 2.704 20 0 DFADHM CC(C)Oc1ccc(CCNc2cnccc2-c2nn[n-]n2)cc1 ZINC000824325018 608771474 /nfs/dbraw/zinc/77/14/74/608771474.db2.gz YGBYGFXLVAGRNS-UHFFFAOYSA-N -1 3 324.388 2.704 20 0 DFADHM COc1ccc(Cl)cc1CNc1cnccc1-c1nnn[n-]1 ZINC000826208333 608775313 /nfs/dbraw/zinc/77/53/13/608775313.db2.gz FQTWOMGEXWOVTR-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(Cl)cc1CNc1cnccc1-c1nn[n-]n1 ZINC000826208333 608775315 /nfs/dbraw/zinc/77/53/15/608775315.db2.gz FQTWOMGEXWOVTR-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM Cc1ccccc1C(C)(C)CNc1cnccc1-c1nnn[n-]1 ZINC000826305547 608779555 /nfs/dbraw/zinc/77/95/55/608779555.db2.gz AMZQWRRIRKFYSH-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1ccccc1C(C)(C)CNc1cnccc1-c1nn[n-]n1 ZINC000826305547 608779557 /nfs/dbraw/zinc/77/95/57/608779557.db2.gz AMZQWRRIRKFYSH-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM CC(C)(CNc1cnccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000824163116 608785690 /nfs/dbraw/zinc/78/56/90/608785690.db2.gz YPBDUVWNOXTVDX-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CC(C)(CNc1cnccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000824163116 608785692 /nfs/dbraw/zinc/78/56/92/608785692.db2.gz YPBDUVWNOXTVDX-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CCCCO[C@@H]1C[C@@H](Nc2cnccc2-c2nnn[n-]2)C1(C)C ZINC000825290916 608789066 /nfs/dbraw/zinc/78/90/66/608789066.db2.gz JXEFTNDGGBXSNH-ZIAGYGMSSA-N -1 3 316.409 2.657 20 0 DFADHM CCCCO[C@@H]1C[C@@H](Nc2cnccc2-c2nn[n-]n2)C1(C)C ZINC000825290916 608789068 /nfs/dbraw/zinc/78/90/68/608789068.db2.gz JXEFTNDGGBXSNH-ZIAGYGMSSA-N -1 3 316.409 2.657 20 0 DFADHM COc1ccc(CNc2cnccc2-c2nnn[n-]2)cc1Cl ZINC000826203951 608794128 /nfs/dbraw/zinc/79/41/28/608794128.db2.gz OBBRLNANNORPPJ-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(CNc2cnccc2-c2nn[n-]n2)cc1Cl ZINC000826203951 608794131 /nfs/dbraw/zinc/79/41/31/608794131.db2.gz OBBRLNANNORPPJ-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CCCn1nc(C)c(CNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825363332 608868812 /nfs/dbraw/zinc/86/88/12/608868812.db2.gz YGNSAEODBWWTMZ-UHFFFAOYSA-N -1 3 311.393 2.702 20 0 DFADHM CON(Cc1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826166692 609145208 /nfs/dbraw/zinc/14/52/08/609145208.db2.gz WSCNWKGBBHQBBA-CYBMUJFWSA-N -1 3 309.373 2.991 20 0 DFADHM CON(Cc1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826166692 609145210 /nfs/dbraw/zinc/14/52/10/609145210.db2.gz WSCNWKGBBHQBBA-CYBMUJFWSA-N -1 3 309.373 2.991 20 0 DFADHM CC[C@H]1C[C@@H](CNc2cccc(-c3nnn[n-]3)c2C)CCO1 ZINC000825184028 609172354 /nfs/dbraw/zinc/17/23/54/609172354.db2.gz QMRPBCWRSDPNTI-STQMWFEESA-N -1 3 301.394 2.792 20 0 DFADHM CC[C@H]1C[C@@H](CNc2cccc(-c3nn[n-]n3)c2C)CCO1 ZINC000825184028 609172355 /nfs/dbraw/zinc/17/23/55/609172355.db2.gz QMRPBCWRSDPNTI-STQMWFEESA-N -1 3 301.394 2.792 20 0 DFADHM c1nc2ccccn2c1CSc1ccccc1-c1nnn[n-]1 ZINC000826519484 609178360 /nfs/dbraw/zinc/17/83/60/609178360.db2.gz AHDBSEPZODYZDQ-UHFFFAOYSA-N -1 3 308.370 2.807 20 0 DFADHM c1nc2ccccn2c1CSc1ccccc1-c1nn[n-]n1 ZINC000826519484 609178361 /nfs/dbraw/zinc/17/83/61/609178361.db2.gz AHDBSEPZODYZDQ-UHFFFAOYSA-N -1 3 308.370 2.807 20 0 DFADHM C[C@H](c1ccccn1)N(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824770039 609200608 /nfs/dbraw/zinc/20/06/08/609200608.db2.gz CUTRIPASEVDVTB-SNVBAGLBSA-N -1 3 300.391 2.516 20 0 DFADHM CCCCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000825281423 609204011 /nfs/dbraw/zinc/20/40/11/609204011.db2.gz FEFFXQWAQIKFJQ-UHFFFAOYSA-N -1 3 316.409 2.770 20 0 DFADHM CCCCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000825281423 609204012 /nfs/dbraw/zinc/20/40/12/609204012.db2.gz FEFFXQWAQIKFJQ-UHFFFAOYSA-N -1 3 316.409 2.770 20 0 DFADHM CC(C)CC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC000824245449 609213586 /nfs/dbraw/zinc/21/35/86/609213586.db2.gz ZVTUJUYMLMGZTC-ZDUSSCGKSA-N -1 3 318.425 2.776 20 0 DFADHM CC(C)CC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000824245449 609213588 /nfs/dbraw/zinc/21/35/88/609213588.db2.gz ZVTUJUYMLMGZTC-ZDUSSCGKSA-N -1 3 318.425 2.776 20 0 DFADHM C[C@@H](Nc1cnn(CC2CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824663372 609253212 /nfs/dbraw/zinc/25/32/12/609253212.db2.gz YPISQSUCAMXFBM-LLVKDONJSA-N -1 3 309.377 2.646 20 0 DFADHM C[C@@H](Nc1cnn(CC2CC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824663372 609253214 /nfs/dbraw/zinc/25/32/14/609253214.db2.gz YPISQSUCAMXFBM-LLVKDONJSA-N -1 3 309.377 2.646 20 0 DFADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824876381 609286021 /nfs/dbraw/zinc/28/60/21/609286021.db2.gz RZCGBLBWSMJEKP-NXEZZACHSA-N -1 3 319.796 2.638 20 0 DFADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824876381 609286022 /nfs/dbraw/zinc/28/60/22/609286022.db2.gz RZCGBLBWSMJEKP-NXEZZACHSA-N -1 3 319.796 2.638 20 0 DFADHM CN(C[C@H]1CCCC[C@@H]1O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825908472 609325151 /nfs/dbraw/zinc/32/51/51/609325151.db2.gz IEOLZKOCIQFRKN-YGRLFVJLSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@H]1CCCC[C@@H]1O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825908472 609325153 /nfs/dbraw/zinc/32/51/53/609325153.db2.gz IEOLZKOCIQFRKN-YGRLFVJLSA-N -1 3 321.812 2.507 20 0 DFADHM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)C1 ZINC000824915948 609412236 /nfs/dbraw/zinc/41/22/36/609412236.db2.gz IXGJGUTYEONFQM-BONVTDFDSA-N -1 3 317.418 2.581 20 0 DFADHM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)C1 ZINC000824915948 609412239 /nfs/dbraw/zinc/41/22/39/609412239.db2.gz IXGJGUTYEONFQM-BONVTDFDSA-N -1 3 317.418 2.581 20 0 DFADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000825826119 609422244 /nfs/dbraw/zinc/42/22/44/609422244.db2.gz XADLCYGIMDZQNY-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000825826119 609422247 /nfs/dbraw/zinc/42/22/47/609422247.db2.gz XADLCYGIMDZQNY-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CC(C)(O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824171980 609451955 /nfs/dbraw/zinc/45/19/55/609451955.db2.gz HWAWVJPFZKTPNF-UHFFFAOYSA-N -1 3 318.324 2.749 20 0 DFADHM CC(C)(O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824171980 609451956 /nfs/dbraw/zinc/45/19/56/609451956.db2.gz HWAWVJPFZKTPNF-UHFFFAOYSA-N -1 3 318.324 2.749 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1scnc1C ZINC000825632292 609477126 /nfs/dbraw/zinc/47/71/26/609477126.db2.gz OCHKVTMUEDENLL-UHFFFAOYSA-N -1 3 316.390 2.642 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1scnc1C ZINC000825632292 609477129 /nfs/dbraw/zinc/47/71/29/609477129.db2.gz OCHKVTMUEDENLL-UHFFFAOYSA-N -1 3 316.390 2.642 20 0 DFADHM Fc1cccc(F)c1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826377011 609477130 /nfs/dbraw/zinc/47/71/30/609477130.db2.gz AOPRJABRLNBBAH-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cccc(F)c1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826377011 609477133 /nfs/dbraw/zinc/47/71/33/609477133.db2.gz AOPRJABRLNBBAH-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cnn(C(C)(C)C)c1 ZINC000826278747 609479455 /nfs/dbraw/zinc/47/94/55/609479455.db2.gz QLLWUQFYLXHDCY-UHFFFAOYSA-N -1 3 311.393 2.739 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cnn(C(C)(C)C)c1 ZINC000826278747 609479459 /nfs/dbraw/zinc/47/94/59/609479459.db2.gz QLLWUQFYLXHDCY-UHFFFAOYSA-N -1 3 311.393 2.739 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)OCCO2 ZINC000826278950 609482423 /nfs/dbraw/zinc/48/24/23/609482423.db2.gz ZVEMDDPYKDRWRN-UHFFFAOYSA-N -1 3 323.356 2.558 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)OCCO2 ZINC000826278950 609482426 /nfs/dbraw/zinc/48/24/26/609482426.db2.gz ZVEMDDPYKDRWRN-UHFFFAOYSA-N -1 3 323.356 2.558 20 0 DFADHM CCc1nnc(CSc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000825768027 609487853 /nfs/dbraw/zinc/48/78/53/609487853.db2.gz YIIWYPVECDLNOZ-UHFFFAOYSA-N -1 3 322.394 2.712 20 0 DFADHM CCc1nnc(CSc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000825768027 609487854 /nfs/dbraw/zinc/48/78/54/609487854.db2.gz YIIWYPVECDLNOZ-UHFFFAOYSA-N -1 3 322.394 2.712 20 0 DFADHM CC(C)Oc1ccc(NCc2cncs2)cc1-c1nnn[n-]1 ZINC000824329602 609492199 /nfs/dbraw/zinc/49/21/99/609492199.db2.gz 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/nfs/dbraw/zinc/52/45/15/609524515.db2.gz MKXKUXPAIUNEHG-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1c(Cl)cnc(NCc2ccc(O)cc2)c1-c1nnn[n-]1 ZINC000826240444 609528573 /nfs/dbraw/zinc/52/85/73/609528573.db2.gz SUXIQKXJNRXRDA-UHFFFAOYSA-N -1 3 316.752 2.541 20 0 DFADHM Cc1c(Cl)cnc(NCc2ccc(O)cc2)c1-c1nn[n-]n1 ZINC000826240444 609528574 /nfs/dbraw/zinc/52/85/74/609528574.db2.gz SUXIQKXJNRXRDA-UHFFFAOYSA-N -1 3 316.752 2.541 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)[C@@H](C)CC ZINC000825621427 609535064 /nfs/dbraw/zinc/53/50/64/609535064.db2.gz SSHZVENRFZMZCI-WDEREUQCSA-N -1 3 317.393 2.886 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)[C@@H](C)CC ZINC000825621427 609535066 /nfs/dbraw/zinc/53/50/66/609535066.db2.gz SSHZVENRFZMZCI-WDEREUQCSA-N -1 3 317.393 2.886 20 0 DFADHM Cc1ccnc(NCCc2c(F)cccc2F)c1-c1nnn[n-]1 ZINC000826314261 609538084 /nfs/dbraw/zinc/53/80/84/609538084.db2.gz NLYSWHMDRGWARC-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1ccnc(NCCc2c(F)cccc2F)c1-c1nn[n-]n1 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Cc1cccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c1[O-] ZINC000078301626 398947035 /nfs/dbraw/zinc/94/70/35/398947035.db2.gz RHSDFGQMZAIGAU-CQSZACIVSA-N -1 3 304.415 2.795 20 0 DFADHM C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2[O-])CCO1 ZINC000271972448 209351312 /nfs/dbraw/zinc/35/13/12/209351312.db2.gz HZLUGKXXRFBVGP-BDAKNGLRSA-N -1 3 314.179 2.908 20 0 DFADHM COCCCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000056066408 398953789 /nfs/dbraw/zinc/95/37/89/398953789.db2.gz FFQPPFMHQZIARM-UHFFFAOYSA-N -1 3 312.218 2.698 20 0 DFADHM CC(C)COC[C@H](NC(=O)c1csc(=O)[n-]1)c1ccco1 ZINC000471958198 299317684 /nfs/dbraw/zinc/31/76/84/299317684.db2.gz MBEFBKWMABPVIJ-JTQLQIEISA-N -1 3 310.375 2.585 20 0 DFADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccccc1 ZINC000376321086 291246225 /nfs/dbraw/zinc/24/62/25/291246225.db2.gz JHKWVXJZXVKMIR-BMIGLBTASA-N -1 3 307.346 2.626 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000281394323 216270672 /nfs/dbraw/zinc/27/06/72/216270672.db2.gz BRFJNEFMSCMDTL-JTQLQIEISA-N -1 3 302.296 2.523 20 0 DFADHM CCCn1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cn1 ZINC000417570712 296031804 /nfs/dbraw/zinc/03/18/04/296031804.db2.gz WRNKTSZRIMYEPO-INIZCTEOSA-N -1 3 301.390 2.825 20 0 DFADHM CC(C)(C)OC(=O)C[C@@H](NCc1ccc(C2CC2)cc1)C(=O)[O-] ZINC000417569212 296031918 /nfs/dbraw/zinc/03/19/18/296031918.db2.gz LDUWXUUHMGKQGS-OAHLLOKOSA-N -1 3 319.401 2.839 20 0 DFADHM CCn1nccc1CN[C@@H](CCC(=O)[O-])c1ccc(OC)cc1 ZINC000417574621 296032115 /nfs/dbraw/zinc/03/21/15/296032115.db2.gz INWUYSOZQDPOOS-INIZCTEOSA-N -1 3 317.389 2.607 20 0 DFADHM Cc1cc(C)n(C[C@@H](NCc2ccc(C)c(Cl)c2)C(=O)[O-])n1 ZINC000417580368 296032766 /nfs/dbraw/zinc/03/27/66/296032766.db2.gz QRMKAODLPBNHTD-OAHLLOKOSA-N -1 3 321.808 2.705 20 0 DFADHM COCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2OC)cc1 ZINC000417572937 296032232 /nfs/dbraw/zinc/03/22/32/296032232.db2.gz PPXTUYNZVLPGCF-QGZVFWFLSA-N -1 3 315.369 2.757 20 0 DFADHM C[C@H](CNCc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000417583634 296033060 /nfs/dbraw/zinc/03/30/60/296033060.db2.gz 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CC(C)Cn1cc(NC(=O)c2cnc3ccccc3c2[O-])cn1 ZINC000081280817 399222348 /nfs/dbraw/zinc/22/23/48/399222348.db2.gz DQTMTXJMTIWKRI-UHFFFAOYSA-N -1 3 310.357 2.633 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)NC(=O)C2CCCC2)c1[O-] ZINC000267042413 205765643 /nfs/dbraw/zinc/76/56/43/205765643.db2.gz AHQDYHQNRJLCGA-SNVBAGLBSA-N -1 3 324.808 2.987 20 0 DFADHM COC(=O)C(C)(C)CSCc1noc(-c2ccccc2[O-])n1 ZINC000601089371 399222770 /nfs/dbraw/zinc/22/27/70/399222770.db2.gz OQJJSFCYSQNSGO-UHFFFAOYSA-N -1 3 322.386 2.875 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2cnc(C)nc2C2CC2)cc1[O-] ZINC000614391550 399223543 /nfs/dbraw/zinc/22/35/43/399223543.db2.gz RXKXIQPLABIFSZ-UHFFFAOYSA-N -1 3 311.341 2.823 20 0 DFADHM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000608031850 399224753 /nfs/dbraw/zinc/22/47/53/399224753.db2.gz URMASTRCBZIYNW-HOTGVXAUSA-N -1 3 323.364 2.973 20 0 DFADHM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000608031847 399224757 /nfs/dbraw/zinc/22/47/57/399224757.db2.gz 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/nfs/dbraw/zinc/03/50/03/206035003.db2.gz WCOPLSHAANBXTI-YFKPBYRVSA-N -1 3 302.812 2.984 20 0 DFADHM COc1ccc2c(c1)CCN(C(=O)c1cc(OC)ccc1[O-])C2 ZINC000618794258 399237261 /nfs/dbraw/zinc/23/72/61/399237261.db2.gz NNTPTKHQKCSMIO-UHFFFAOYSA-N -1 3 313.353 2.608 20 0 DFADHM COC(=O)[C@H]1CCC[C@@H](c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000267493725 206105081 /nfs/dbraw/zinc/10/50/81/206105081.db2.gz XSQJMQNOUSIKPP-NEPJUHHUSA-N -1 3 302.330 2.889 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2nnn(C(C)(C)C)n2)c([O-])c1 ZINC000614489358 399240142 /nfs/dbraw/zinc/24/01/42/399240142.db2.gz UTJDZAZISDVWCO-UHFFFAOYSA-N -1 3 317.393 2.684 20 0 DFADHM CO[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])[C@@H]1CCOC1 ZINC000614488453 399240176 /nfs/dbraw/zinc/24/01/76/399240176.db2.gz LTVGTNJZCNFHQN-IAQYHMDHSA-N -1 3 307.390 2.680 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2cnc3n2CCOC3)c([O-])c1 ZINC000614488804 399240282 /nfs/dbraw/zinc/24/02/82/399240282.db2.gz OIQDFPYKHQASEY-UHFFFAOYSA-N -1 3 315.373 2.669 20 0 DFADHM CCc1cccc(C(=O)NCCN2CCc3ccccc3C2)c1[O-] ZINC000622297044 399244295 /nfs/dbraw/zinc/24/42/95/399244295.db2.gz MKLKWAMBKUUEBV-UHFFFAOYSA-N -1 3 324.424 2.743 20 0 DFADHM COc1ccc(CN(C)C(=O)c2ccc(C)cc2[O-])cc1OC ZINC000622316910 399246168 /nfs/dbraw/zinc/24/61/68/399246168.db2.gz FZLVRWUIFWYWKP-UHFFFAOYSA-N -1 3 315.369 2.990 20 0 DFADHM COCc1cc(CNC(=O)Cc2ccc([O-])c(F)c2)ccc1F ZINC000622360967 399249056 /nfs/dbraw/zinc/24/90/56/399249056.db2.gz RCWLBHQTVYFQSI-UHFFFAOYSA-N -1 3 321.323 2.676 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2c2ccccc2)o1 ZINC000343182016 284487841 /nfs/dbraw/zinc/48/78/41/284487841.db2.gz BLCKHRFUUIYAKR-ZBFHGGJFSA-N -1 3 321.398 2.644 20 0 DFADHM CC(C)(C)[C@@H](CO)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622497067 399256952 /nfs/dbraw/zinc/25/69/52/399256952.db2.gz NAKFJSUGKXYVSK-LLVKDONJSA-N -1 3 305.296 2.548 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)[n-]1 ZINC000618920128 399259259 /nfs/dbraw/zinc/25/92/59/399259259.db2.gz RYVIOISNJOIQDJ-QWRGUYRKSA-N -1 3 307.394 2.987 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)c[n-]1 ZINC000618920128 399259261 /nfs/dbraw/zinc/25/92/61/399259261.db2.gz RYVIOISNJOIQDJ-QWRGUYRKSA-N -1 3 307.394 2.987 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)Cc2c(C)cc(C)cc2C)[n-]1 ZINC000618920152 399259354 /nfs/dbraw/zinc/25/93/54/399259354.db2.gz SQIBTMOZUJJNGT-UHFFFAOYSA-N -1 3 315.373 2.693 20 0 DFADHM CCOC(=O)c1nc(NC(=O)Cc2c(C)cc(C)cc2C)c[n-]1 ZINC000618920152 399259356 /nfs/dbraw/zinc/25/93/56/399259356.db2.gz SQIBTMOZUJJNGT-UHFFFAOYSA-N -1 3 315.373 2.693 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)cc1[O-] ZINC000614721470 399262720 /nfs/dbraw/zinc/26/27/20/399262720.db2.gz KIJJYXKYNQTDSO-DOMZBBRYSA-N -1 3 319.401 2.751 20 0 DFADHM O=S(=O)([N-]CC[C@H]1CCOC1)c1cccc(Cl)c1Cl ZINC000343953758 284543687 /nfs/dbraw/zinc/54/36/87/284543687.db2.gz AFGUKURGYNPCTF-VIFPVBQESA-N -1 3 324.229 2.698 20 0 DFADHM COc1cc(F)cc(C[C@@H](C)NC(=O)c2cccc([O-])c2)c1 ZINC000622673989 399266398 /nfs/dbraw/zinc/26/63/98/399266398.db2.gz ACSNUGVDBFPCGJ-LLVKDONJSA-N -1 3 303.333 2.901 20 0 DFADHM Cc1ncc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)o1 ZINC000622692264 399266946 /nfs/dbraw/zinc/26/69/46/399266946.db2.gz XNWIZYBRVXBKCF-UHFFFAOYSA-N -1 3 300.236 2.637 20 0 DFADHM CC(C)O[C@H]1C[C@@H](NC(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000622686325 399267035 /nfs/dbraw/zinc/26/70/35/399267035.db2.gz GEFOMWYAGQSTFC-GASCZTMLSA-N -1 3 303.402 2.957 20 0 DFADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1)OC ZINC000421136710 296237611 /nfs/dbraw/zinc/23/76/11/296237611.db2.gz DWFHUDYVYCNFTQ-LLVKDONJSA-N -1 3 311.325 2.872 20 0 DFADHM COc1cc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)ccc1F ZINC000421158083 296238719 /nfs/dbraw/zinc/23/87/19/296238719.db2.gz RKOKJDNABDJXEA-GFCCVEGCSA-N -1 3 319.398 2.637 20 0 DFADHM CCc1cc(C(=O)Nc2ccc(N3CCC3=O)cc2)ccc1[O-] ZINC000487668956 299473284 /nfs/dbraw/zinc/47/32/84/299473284.db2.gz VNICHNLTCXJXOM-UHFFFAOYSA-N -1 3 310.353 2.944 20 0 DFADHM CC[C@@H](CS(=O)(=O)[N-]c1cc(-c2ncco2)ccc1C)OC ZINC000421158095 296238862 /nfs/dbraw/zinc/23/88/62/296238862.db2.gz RMNBPOBZWCDYNI-ZDUSSCGKSA-N -1 3 324.402 2.817 20 0 DFADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C)cc(F)c1 ZINC000421156654 296238875 /nfs/dbraw/zinc/23/88/75/296238875.db2.gz PEHGWPBAYCZUEV-CQSZACIVSA-N -1 3 303.399 2.937 20 0 DFADHM COCc1cccc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1 ZINC000421158536 296238926 /nfs/dbraw/zinc/23/89/26/296238926.db2.gz UNEKTUYVQBNUIL-HNNXBMFYSA-N -1 3 315.435 2.636 20 0 DFADHM Cc1nc(C(C)C)oc1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000622739529 399269572 /nfs/dbraw/zinc/26/95/72/399269572.db2.gz NUHJTAHKEPDTAK-UHFFFAOYSA-N -1 3 318.377 2.576 20 0 DFADHM CC[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1N(C)C)OC ZINC000421225444 296242178 /nfs/dbraw/zinc/24/21/78/296242178.db2.gz KSUWFBIPQBHBEA-LLVKDONJSA-N -1 3 320.842 2.573 20 0 DFADHM CC[C@H](C)CCC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825665 399273064 /nfs/dbraw/zinc/27/30/64/399273064.db2.gz NTMYCDVWCGOHDW-YNEHKIRRSA-N -1 3 321.421 2.693 20 0 DFADHM CC(C)C[C@@H](C)n1nccc1NC(=O)Cc1cncc([O-])c1 ZINC000615006965 399290550 /nfs/dbraw/zinc/29/05/50/399290550.db2.gz ADIXSOJXDDRJFR-GFCCVEGCSA-N -1 3 302.378 2.772 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3CC[C@@H]3C(F)(F)F)c([O-])c2O1 ZINC000615031861 399292793 /nfs/dbraw/zinc/29/27/93/399292793.db2.gz STNJQZUJDIEUEY-SNVBAGLBSA-N -1 3 315.291 2.883 20 0 DFADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1coc(C2CC2)n1 ZINC000615011042 399291209 /nfs/dbraw/zinc/29/12/09/399291209.db2.gz MSYFPWOBKOTFSG-UHFFFAOYSA-N -1 3 304.277 2.730 20 0 DFADHM C[C@]1(C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)CCCO1 ZINC000615124158 399303924 /nfs/dbraw/zinc/30/39/24/399303924.db2.gz SMWYOJYDCNLTFZ-QGZVFWFLSA-N -1 3 323.356 2.528 20 0 DFADHM C[C@]1(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)CCCO1 ZINC000615124158 399303925 /nfs/dbraw/zinc/30/39/25/399303925.db2.gz SMWYOJYDCNLTFZ-QGZVFWFLSA-N -1 3 323.356 2.528 20 0 DFADHM C[C@]1(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)CCCO1 ZINC000615124158 399303926 /nfs/dbraw/zinc/30/39/26/399303926.db2.gz SMWYOJYDCNLTFZ-QGZVFWFLSA-N -1 3 323.356 2.528 20 0 DFADHM CC1CCC(OCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC1 ZINC000615133499 399304477 /nfs/dbraw/zinc/30/44/77/399304477.db2.gz DWCPPPOBHSOFQP-UHFFFAOYSA-N -1 3 303.362 2.802 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC([C@H]3CCCCO3)CC2)c1 ZINC000619168424 399306831 /nfs/dbraw/zinc/30/68/31/399306831.db2.gz DXPXDJAONPBYBH-QGZVFWFLSA-N -1 3 319.401 2.822 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCC([C@H]2CCCCO2)CC1 ZINC000619164565 399305583 /nfs/dbraw/zinc/30/55/83/399305583.db2.gz JVOPGFODZFLMGM-MRXNPFEDSA-N -1 3 305.374 2.519 20 0 DFADHM COc1ccc(Br)cc1CN(C)CCCC(=O)[O-] ZINC000042718127 183302206 /nfs/dbraw/zinc/30/22/06/183302206.db2.gz HVKZCOSUFUXOCV-UHFFFAOYSA-N -1 3 316.195 2.754 20 0 DFADHM CS[C@H](C)C(=O)Nc1nc(-c2cccc3ccccc32)n[n-]1 ZINC000043044801 183332195 /nfs/dbraw/zinc/33/21/95/183332195.db2.gz MYTNXJWGUXDMGL-SNVBAGLBSA-N -1 3 312.398 2.737 20 0 DFADHM 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Cc1ccc(O[C@H]2CCN(C(=O)c3cccc(C)c3[O-])C2)cn1 ZINC000373043366 150221671 /nfs/dbraw/zinc/22/16/71/150221671.db2.gz MKJREEDWWAQCIR-HNNXBMFYSA-N -1 3 312.369 2.698 20 0 DFADHM Cc1ccc(F)c(CNCCc2ccc(OCC(=O)[O-])cc2)c1 ZINC000426701178 296636927 /nfs/dbraw/zinc/63/69/27/296636927.db2.gz YOEQKRJWYOSMMP-UHFFFAOYSA-N -1 3 317.360 2.930 20 0 DFADHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000351619957 286172216 /nfs/dbraw/zinc/17/22/16/286172216.db2.gz OPHYUOXWZLFXDM-XADBCAIWSA-N -1 3 324.229 2.599 20 0 DFADHM CSc1ccc(C(=O)N2CCCO[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000373057780 150224239 /nfs/dbraw/zinc/22/42/39/150224239.db2.gz LMRQTVCSIPPLTJ-DZGCQCFKSA-N -1 3 307.415 2.898 20 0 DFADHM CSc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c([O-])c1 ZINC000373071096 150225906 /nfs/dbraw/zinc/22/59/06/150225906.db2.gz RBTBLHZBWNZESL-SJKOYZFVSA-N -1 3 321.442 2.881 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000373239818 150252389 /nfs/dbraw/zinc/25/23/89/150252389.db2.gz OBQUWZBHVSAQEL-TZMCWYRMSA-N -1 3 318.398 2.577 20 0 DFADHM Cc1cnc(-c2cccc(NC(=O)[N-]OC[C@H]3CCOC3)c2)o1 ZINC000373766303 150254747 /nfs/dbraw/zinc/25/47/47/150254747.db2.gz SGPROOCCGMZYAU-LBPRGKRZSA-N -1 3 317.345 2.740 20 0 DFADHM O=C(N[C@@H](c1nccs1)c1ccccc1)c1csc(=O)[n-]1 ZINC000373834316 150264374 /nfs/dbraw/zinc/26/43/74/150264374.db2.gz AUHCSVZTNXRAEW-LLVKDONJSA-N -1 3 317.395 2.825 20 0 DFADHM COc1cc2c(cc1CN[C@H](C)CCC[C@@H](C)C(=O)[O-])OCO2 ZINC000426672975 296635553 /nfs/dbraw/zinc/63/55/53/296635553.db2.gz VDDGYRXJBZPDBJ-VXGBXAGGSA-N -1 3 323.389 2.793 20 0 DFADHM Cn1c(CN[C@@H]2CCC[C@]2(C)C(=O)[O-])nc2ccc(Cl)cc21 ZINC000426726043 296638470 /nfs/dbraw/zinc/63/84/70/296638470.db2.gz GRKPUUSIYJQROL-CJNGLKHVSA-N -1 3 321.808 2.960 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000351665371 286186820 /nfs/dbraw/zinc/18/68/20/286186820.db2.gz MWURDNFZZXYPBI-CQSZACIVSA-N -1 3 321.760 2.518 20 0 DFADHM Cc1cccc(OCCNC(=O)c2c[n-]nc2-c2ccccn2)c1 ZINC000351797784 286220700 /nfs/dbraw/zinc/22/07/00/286220700.db2.gz HIHLTRBRTAHQMD-UHFFFAOYSA-N -1 3 322.368 2.589 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)[n-]c(=O)n1 ZINC000351940980 286251139 /nfs/dbraw/zinc/25/11/39/286251139.db2.gz LIXADGYGXVCICI-CYBMUJFWSA-N -1 3 313.357 2.523 20 0 DFADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccoc1 ZINC000351979027 286259207 /nfs/dbraw/zinc/25/92/07/286259207.db2.gz GSLZJPWYNBOMJE-UHFFFAOYSA-N -1 3 301.364 2.619 20 0 DFADHM [O-]c1cc(F)cc(CN2CCN(CCc3ccccc3)CC2)c1 ZINC000352005530 286267556 /nfs/dbraw/zinc/26/75/56/286267556.db2.gz YDDRRLLYMLPUHY-UHFFFAOYSA-N -1 3 314.404 2.892 20 0 DFADHM CCOC(=O)c1coc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000352022180 286272128 /nfs/dbraw/zinc/27/21/28/286272128.db2.gz WCLLVLDNNZBOOI-AATRIKPKSA-N -1 3 300.314 3.000 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCC[C@H](O)C1 ZINC000352053355 286280801 /nfs/dbraw/zinc/28/08/01/286280801.db2.gz SHUFZUJXVZCVFU-WPRPVWTQSA-N -1 3 314.179 2.644 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCC[C@@H](O)C1 ZINC000352053354 286280857 /nfs/dbraw/zinc/28/08/57/286280857.db2.gz SHUFZUJXVZCVFU-WCBMZHEXSA-N -1 3 314.179 2.644 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)o1 ZINC000352082289 286287759 /nfs/dbraw/zinc/28/77/59/286287759.db2.gz JOXXDEALCOQGAY-QMMMGPOBSA-N -1 3 318.757 2.815 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)o1 ZINC000352082288 286287830 /nfs/dbraw/zinc/28/78/30/286287830.db2.gz JOXXDEALCOQGAY-MRVPVSSYSA-N -1 3 318.757 2.815 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cccc3cnccc32)o1 ZINC000352084020 286288199 /nfs/dbraw/zinc/28/81/99/286288199.db2.gz RQYNTDGPNQWJDH-NSHDSACASA-N -1 3 317.370 2.571 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)s2)o1 ZINC000352094611 286290254 /nfs/dbraw/zinc/29/02/54/286290254.db2.gz DHHVPPFDNMCBQL-SSDOTTSWSA-N -1 3 306.796 2.737 20 0 DFADHM O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1csc(=O)[n-]1 ZINC000352099448 286291428 /nfs/dbraw/zinc/29/14/28/286291428.db2.gz YNJJLCNQBYEQIX-SECBINFHSA-N -1 3 320.267 2.863 20 0 DFADHM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1ccsc1 ZINC000352143276 286303264 /nfs/dbraw/zinc/30/32/64/286303264.db2.gz PHPIDIWZZVFXES-UHFFFAOYSA-N -1 3 303.355 2.818 20 0 DFADHM C[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@@H](C2CC2)O1 ZINC000352170093 286311125 /nfs/dbraw/zinc/31/11/25/286311125.db2.gz KOYKOYXEUAHQKV-SJCJKPOMSA-N -1 3 321.392 2.880 20 0 DFADHM CC(C)OC(=O)CC[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000352196225 286316619 /nfs/dbraw/zinc/31/66/19/286316619.db2.gz XJNPDVRKPDESKT-JTQLQIEISA-N -1 3 313.781 2.896 20 0 DFADHM [O-]c1ccc(F)c(CNC[C@@H](CO)Cc2ccccc2)c1F ZINC000352219415 286321015 /nfs/dbraw/zinc/32/10/15/286321015.db2.gz CTXBHBCWHWBWLQ-ZDUSSCGKSA-N -1 3 307.340 2.611 20 0 DFADHM Cc1cc(C)c(CNC(=O)c2cc([O-])ccc2Cl)c(=O)[nH]1 ZINC000352241949 286326908 /nfs/dbraw/zinc/32/69/08/286326908.db2.gz QCRAHRYBEHYWQX-UHFFFAOYSA-N -1 3 306.749 2.693 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000175473511 286338229 /nfs/dbraw/zinc/33/82/29/286338229.db2.gz FVNYDVJKQYAQKJ-ZFWWWQNUSA-N -1 3 307.415 2.901 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)Nc1cccnc1N1CCCCC1 ZINC000493325928 299757892 /nfs/dbraw/zinc/75/78/92/299757892.db2.gz SGOQISIPIYKZFX-SREVYHEPSA-N -1 3 324.384 2.824 20 0 DFADHM C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ncccc1[O-] ZINC000352498307 286389168 /nfs/dbraw/zinc/38/91/68/286389168.db2.gz BAEUIKZBGQRNNX-JTQLQIEISA-N -1 3 306.749 2.524 20 0 DFADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ncccc1[O-] ZINC000352502100 286390060 /nfs/dbraw/zinc/39/00/60/286390060.db2.gz QXEYNEZDABAXPP-VIFPVBQESA-N -1 3 324.739 2.663 20 0 DFADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2ncccc2[O-])c1 ZINC000352501576 286390095 /nfs/dbraw/zinc/39/00/95/286390095.db2.gz OVVQDOTVSVEKPB-LLVKDONJSA-N -1 3 320.776 2.833 20 0 DFADHM Cc1cc(C)c(C)c(OCCC(=O)NCc2ncccc2[O-])c1 ZINC000352502503 286390331 /nfs/dbraw/zinc/39/03/31/286390331.db2.gz VMSDLEJGCTUICD-UHFFFAOYSA-N -1 3 314.385 2.798 20 0 DFADHM Cc1ccc(SCC(=O)NCc2ncccc2[O-])c(C)c1 ZINC000352502578 286390355 /nfs/dbraw/zinc/39/03/55/286390355.db2.gz WKMOFQHEPGWUBX-UHFFFAOYSA-N -1 3 302.399 2.813 20 0 DFADHM C[C@H](CSc1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000352502808 286390682 /nfs/dbraw/zinc/39/06/82/286390682.db2.gz YSMGDHRAVGDNMO-GFCCVEGCSA-N -1 3 302.399 2.832 20 0 DFADHM Cc1ccc(S[C@H](C)C(=O)NCc2ncccc2[O-])cc1 ZINC000352502746 286390744 /nfs/dbraw/zinc/39/07/44/286390744.db2.gz YGDGSSXMCRMLLC-GFCCVEGCSA-N -1 3 302.399 2.893 20 0 DFADHM C[C@H](C(=O)NCc1ncccc1[O-])c1cn(C)c2ccccc12 ZINC000352510295 286393293 /nfs/dbraw/zinc/39/32/93/286393293.db2.gz SHTZACATZWJBJH-LBPRGKRZSA-N -1 3 309.369 2.699 20 0 DFADHM Cc1ccc(OCCCC(=O)NCc2ncccc2[O-])c(C)c1 ZINC000352516121 286394660 /nfs/dbraw/zinc/39/46/60/286394660.db2.gz KATLFHKRHQNRAH-UHFFFAOYSA-N -1 3 314.385 2.879 20 0 DFADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ncccc1[O-] ZINC000352515665 286394666 /nfs/dbraw/zinc/39/46/66/286394666.db2.gz HMIUCDLJBVGEEP-UHFFFAOYSA-N -1 3 322.368 2.520 20 0 DFADHM C[C@@H](CC(=O)NCc1ncccc1[O-])Cc1cccc(F)c1 ZINC000352516104 286394744 /nfs/dbraw/zinc/39/47/44/286394744.db2.gz JUVQJUWLQQGPGX-GFCCVEGCSA-N -1 3 302.349 2.811 20 0 DFADHM O=C(NCc1ncccc1[O-])c1cncc(-c2ccccc2)c1 ZINC000352516543 286394964 /nfs/dbraw/zinc/39/49/64/286394964.db2.gz LNKDKLYBIXSZNR-UHFFFAOYSA-N -1 3 305.337 2.779 20 0 DFADHM Cc1cc(O[C@@H](C)C(=O)NCc2ncccc2[O-])ccc1Cl ZINC000352517355 286395175 /nfs/dbraw/zinc/39/51/75/286395175.db2.gz PKEUITMCLVBTDZ-NSHDSACASA-N -1 3 320.776 2.833 20 0 DFADHM O=C(NCc1ncccc1[O-])c1c2c(nc3ccccc31)CCC2 ZINC000352518277 286395746 /nfs/dbraw/zinc/39/57/46/286395746.db2.gz WIGAQGJOMHMLSY-UHFFFAOYSA-N -1 3 319.364 2.754 20 0 DFADHM CCC(CC)n1nc(C)cc1C(=O)NCc1ncccc1[O-] ZINC000352518786 286395930 /nfs/dbraw/zinc/39/59/30/286395930.db2.gz ZIZXCAAVRMKAQZ-UHFFFAOYSA-N -1 3 302.378 2.583 20 0 DFADHM Cc1ccc2c(CCC(=O)NCc3ncccc3[O-])c[nH]c2c1 ZINC000352518740 286395955 /nfs/dbraw/zinc/39/59/55/286395955.db2.gz ZCDZHQSAZKGWTG-UHFFFAOYSA-N -1 3 309.369 2.826 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000352508830 286392616 /nfs/dbraw/zinc/39/26/16/286392616.db2.gz NLJRBEXJLXYFQO-PBHICJAKSA-N -1 3 312.369 2.571 20 0 DFADHM O=c1[nH]c2ccccc2n1CCNCc1c(F)ccc([O-])c1F ZINC000352656142 286432376 /nfs/dbraw/zinc/43/23/76/286432376.db2.gz YIBGEKFHKFRYGC-UHFFFAOYSA-N -1 3 319.311 2.516 20 0 DFADHM Cc1cccc([O-])c1NC(=O)CCNC(=O)c1ccc(F)cc1 ZINC000352646810 286429704 /nfs/dbraw/zinc/42/97/04/286429704.db2.gz MRGOTDPKSYYOGO-UHFFFAOYSA-N -1 3 316.332 2.598 20 0 DFADHM COc1cccc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c1[O-] ZINC000175431140 286441997 /nfs/dbraw/zinc/44/19/97/286441997.db2.gz GFRCYWWCZZPGAY-JSGCOSHPSA-N -1 3 307.415 2.901 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCCO2)sc1Cl ZINC000353105008 286552219 /nfs/dbraw/zinc/55/22/19/286552219.db2.gz GMBXOYTWKHPLJC-VHSXEESVSA-N -1 3 323.867 2.946 20 0 DFADHM CCCC[C@@H](N)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000353339266 286617539 /nfs/dbraw/zinc/61/75/39/286617539.db2.gz WBXGQJSYPPLYBL-SNVBAGLBSA-N -1 3 315.211 2.919 20 0 DFADHM CCOCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440387067 297151075 /nfs/dbraw/zinc/15/10/75/297151075.db2.gz DIJIWOWQEOKSIG-UHFFFAOYSA-N -1 3 313.806 2.808 20 0 DFADHM C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)[C@@H](c2ccccc2)CO1 ZINC000182065713 158001119 /nfs/dbraw/zinc/00/11/19/158001119.db2.gz UTAXRCGASHXJNW-WXVPVVBVSA-N -1 3 324.380 2.789 20 0 DFADHM Cn1c(CCCNC(=O)c2cccc([O-])c2)nc2ccccc21 ZINC000182457032 158003258 /nfs/dbraw/zinc/00/32/58/158003258.db2.gz GOMUNZDOZQHYIR-UHFFFAOYSA-N -1 3 309.369 2.642 20 0 DFADHM COC(=O)[C@@H](C)[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000182549726 158004218 /nfs/dbraw/zinc/00/42/18/158004218.db2.gz WXWZVXXDKSUXEV-LRDDRELGSA-N -1 3 313.353 2.672 20 0 DFADHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cccc([O-])c1 ZINC000182548081 158005158 /nfs/dbraw/zinc/00/51/58/158005158.db2.gz HMXFNKPOCDPJFL-YTEVENLXSA-N -1 3 317.410 2.963 20 0 DFADHM O=C(CCc1cncc(F)c1)N1CCCc2cccc([O-])c21 ZINC000182944892 158011371 /nfs/dbraw/zinc/01/13/71/158011371.db2.gz PCSMHMKIZKETLA-UHFFFAOYSA-N -1 3 300.333 2.838 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1cn(Cc2ccccc2)nn1 ZINC000183080682 158012429 /nfs/dbraw/zinc/01/24/29/158012429.db2.gz PAWFZDPYFXVIGM-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM COc1nnc(NC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)[n-]1 ZINC000182999232 158012664 /nfs/dbraw/zinc/01/26/64/158012664.db2.gz LCHCTORQHWPZEZ-LLVKDONJSA-N -1 3 308.769 2.845 20 0 DFADHM COc1nc(NC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)n[n-]1 ZINC000182999232 158012666 /nfs/dbraw/zinc/01/26/66/158012666.db2.gz LCHCTORQHWPZEZ-LLVKDONJSA-N -1 3 308.769 2.845 20 0 DFADHM COc1n[n-]c(NC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)n1 ZINC000182999232 158012668 /nfs/dbraw/zinc/01/26/68/158012668.db2.gz LCHCTORQHWPZEZ-LLVKDONJSA-N -1 3 308.769 2.845 20 0 DFADHM COC[C@H](NC(=O)c1cccc([O-])c1)c1ccc(F)c(F)c1 ZINC000182985073 158012730 /nfs/dbraw/zinc/01/27/30/158012730.db2.gz HMXMNFJPKOVULL-HNNXBMFYSA-N -1 3 307.296 2.788 20 0 DFADHM O=C(CCC1CCCC1)NCC(=O)Nc1ccc([O-])cc1F ZINC000183266720 158014228 /nfs/dbraw/zinc/01/42/28/158014228.db2.gz BROZDBQRDKQWGX-UHFFFAOYSA-N -1 3 308.353 2.556 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC(=O)Nc2ccccc21 ZINC000183249525 158014267 /nfs/dbraw/zinc/01/42/67/158014267.db2.gz KSFATHHXWMFCFT-NSHDSACASA-N -1 3 300.289 2.596 20 0 DFADHM CC[C@H]1C[C@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCO1 ZINC000183630236 158023234 /nfs/dbraw/zinc/02/32/34/158023234.db2.gz GDTDRRKYEXHOMC-MNOVXSKESA-N -1 3 318.352 2.755 20 0 DFADHM O=S(=O)(Cc1cn2cc(Cl)ccc2n1)c1cccc([O-])c1 ZINC000183988380 158026209 /nfs/dbraw/zinc/02/62/09/158026209.db2.gz HYFWYEDYWDOXCL-UHFFFAOYSA-N -1 3 322.773 2.667 20 0 DFADHM O=C(CC[S@@](=O)c1cccc([O-])c1)Nc1ccc(F)cc1 ZINC000184055847 158027335 /nfs/dbraw/zinc/02/73/35/158027335.db2.gz ULXVXIJWXQTYDL-OAQYLSRUSA-N -1 3 307.346 2.668 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1COc2ccccc21 ZINC000184272078 158030785 /nfs/dbraw/zinc/03/07/85/158030785.db2.gz AIYROQLQXRQCOT-ZDUSSCGKSA-N -1 3 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/nfs/dbraw/zinc/12/61/82/544126182.db2.gz FEFBBYXVOLWLLX-CABZTGNLSA-N -1 3 317.307 2.746 20 0 DFADHM CCOC(=O)NCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000496560695 300080304 /nfs/dbraw/zinc/08/03/04/300080304.db2.gz ATMDBECNSZWWLR-UHFFFAOYSA-N -1 3 316.766 2.786 20 0 DFADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000672429803 544137274 /nfs/dbraw/zinc/13/72/74/544137274.db2.gz QHZLIZHPPJEMRL-NSHDSACASA-N -1 3 321.393 2.547 20 0 DFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@H]2CCC[C@H]21 ZINC000673093591 544168487 /nfs/dbraw/zinc/16/84/87/544168487.db2.gz JAGJCHKCTIDICB-YMTOWFKASA-N -1 3 318.323 2.821 20 0 DFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC2(C1)CCCC2 ZINC000673093315 544168612 /nfs/dbraw/zinc/16/86/12/544168612.db2.gz KMXBWYTVVNZLRS-UHFFFAOYSA-N -1 3 318.323 2.823 20 0 DFADHM Cc1cc2ccc(C(=O)Nc3nnc(-c4ccco4)[n-]3)cn2c1 ZINC000672723575 544148834 /nfs/dbraw/zinc/14/88/34/544148834.db2.gz KMUWPUGBLFWDRW-UHFFFAOYSA-N -1 3 307.313 2.878 20 0 DFADHM Cc1cc2ccc(C(=O)Nc3nc(-c4ccco4)n[n-]3)cn2c1 ZINC000672723575 544148837 /nfs/dbraw/zinc/14/88/37/544148837.db2.gz KMUWPUGBLFWDRW-UHFFFAOYSA-N -1 3 307.313 2.878 20 0 DFADHM Cc1cc2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cn2c1 ZINC000672723575 544148840 /nfs/dbraw/zinc/14/88/40/544148840.db2.gz KMUWPUGBLFWDRW-UHFFFAOYSA-N -1 3 307.313 2.878 20 0 DFADHM Cc1cc2ccc(C(=O)Nc3cc(-c4nccn4C)[n-]n3)cn2c1 ZINC000673018324 544165011 /nfs/dbraw/zinc/16/50/11/544165011.db2.gz YLQUNFWPEKILDY-UHFFFAOYSA-N -1 3 320.356 2.624 20 0 DFADHM Cc1cc2ccc(C(=O)Nc3cc(-c4nccn4C)n[n-]3)cn2c1 ZINC000673018324 544165014 /nfs/dbraw/zinc/16/50/14/544165014.db2.gz YLQUNFWPEKILDY-UHFFFAOYSA-N -1 3 320.356 2.624 20 0 DFADHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc2c(s1)COCC2 ZINC000673657981 544189599 /nfs/dbraw/zinc/18/95/99/544189599.db2.gz HZZBZLVUDSNTLH-UHFFFAOYSA-N -1 3 315.301 2.702 20 0 DFADHM Cc1cccc(C(=O)NC[C@@H](CO)c2ccc(Cl)cc2)c1[O-] ZINC000673369439 544176981 /nfs/dbraw/zinc/17/69/81/544176981.db2.gz GTMHPHAHSZBMMM-ZDUSSCGKSA-N -1 3 319.788 2.860 20 0 DFADHM CSCCO[N-]C(=O)/C=C\Sc1cc(F)ccc1F ZINC000493797233 299830545 /nfs/dbraw/zinc/83/05/45/299830545.db2.gz UYPYAJVMLSUODK-XQRVVYSFSA-N -1 3 305.371 2.981 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCCc2cn3cccc(C)c3n2)c1 ZINC000673756486 544196665 /nfs/dbraw/zinc/19/66/65/544196665.db2.gz QNVDABZOHUEPGV-UHFFFAOYSA-N -1 3 323.396 2.883 20 0 DFADHM C[C@H]1CCc2onc(C(=O)NCc3ccc([O-])c(F)c3)c2C1 ZINC000434361839 296934944 /nfs/dbraw/zinc/93/49/44/296934944.db2.gz YFWRBEYPAWRXAU-VIFPVBQESA-N -1 3 304.321 2.574 20 0 DFADHM CCc1ccc(CC[N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cc1 ZINC000673822682 544200699 /nfs/dbraw/zinc/20/06/99/544200699.db2.gz NULWOITYGYAZQP-UHFFFAOYSA-N -1 3 321.446 2.617 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)c[nH]1 ZINC000673824436 544201313 /nfs/dbraw/zinc/20/13/13/544201313.db2.gz HJKNAHCKFYCTBB-JHJVBQTASA-N -1 3 311.451 2.780 20 0 DFADHM CCc1cc(C(=O)NCc2ccc3c(c2)OCCO3)ccc1[O-] ZINC000291397232 222364972 /nfs/dbraw/zinc/36/49/72/222364972.db2.gz DJZQUYXATUHOOF-UHFFFAOYSA-N -1 3 313.353 2.656 20 0 DFADHM CC(C)(C)/C=C/C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291429031 222383071 /nfs/dbraw/zinc/38/30/71/222383071.db2.gz LNZZRDDQWDBXRJ-MLRMMBSGSA-N -1 3 320.355 2.506 20 0 DFADHM Cc1nc(CNC(=O)c2cc([O-])ccc2Cl)ccc1[C@@H](C)O ZINC000291430609 222384640 /nfs/dbraw/zinc/38/46/40/222384640.db2.gz LJKXRTJQIAVXJL-SNVBAGLBSA-N -1 3 320.776 2.732 20 0 DFADHM CCc1cccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1[O-] ZINC000673924326 544208395 /nfs/dbraw/zinc/20/83/95/544208395.db2.gz VKBXBKGWLVYKRG-CQSZACIVSA-N -1 3 315.373 2.582 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCCc3c2cnn3CC)c1 ZINC000673955007 544210430 /nfs/dbraw/zinc/21/04/30/544210430.db2.gz KQEZMHRJAIKFAW-HNNXBMFYSA-N -1 3 313.401 2.978 20 0 DFADHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000675330735 544303284 /nfs/dbraw/zinc/30/32/84/544303284.db2.gz YIXHUWIISVLXMX-UWVGGRQHSA-N -1 3 321.801 2.573 20 0 DFADHM CCOc1cccc(CCNC(=O)c2cc(CC)ccc2[O-])n1 ZINC000675527107 544317779 /nfs/dbraw/zinc/31/77/79/544317779.db2.gz GWLQMPBVZYOJJC-UHFFFAOYSA-N -1 3 314.385 2.721 20 0 DFADHM Cc1nc(-c2ccc(NC(=O)NC3CC=CC3)cc2)cc(=O)[n-]1 ZINC000675292410 544298790 /nfs/dbraw/zinc/29/87/90/544298790.db2.gz UHQYBIJSTFHDAC-UHFFFAOYSA-N -1 3 310.357 2.998 20 0 DFADHM Cc1c(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cnn1C ZINC000675951003 544346220 /nfs/dbraw/zinc/34/62/20/544346220.db2.gz NYPUOVSDZGYNJF-UHFFFAOYSA-N -1 3 313.401 2.529 20 0 DFADHM CC[C@@H](CN1CCCC1)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000676150998 544359787 /nfs/dbraw/zinc/35/97/87/544359787.db2.gz GACURAXSZOBYAA-NSHDSACASA-N -1 3 314.788 2.789 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2Cc3ccccc3C(F)(F)C2)on1 ZINC000676707555 544394321 /nfs/dbraw/zinc/39/43/21/544394321.db2.gz APXCXZQJVVWVPG-NSHDSACASA-N -1 3 321.327 2.918 20 0 DFADHM CCCCc1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC000676774254 544402673 /nfs/dbraw/zinc/40/26/73/544402673.db2.gz NVJPDIFEBJYRKI-UHFFFAOYSA-N -1 3 311.385 2.723 20 0 DFADHM O=C(Nc1nc2ccccn2n1)c1c[n-]nc1-c1ccc(F)cc1 ZINC000677803257 544543370 /nfs/dbraw/zinc/54/33/70/544543370.db2.gz HSBSCALCCSAMEV-UHFFFAOYSA-N -1 3 322.303 2.511 20 0 DFADHM CCC[C@@H](O)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000677591608 544509189 /nfs/dbraw/zinc/50/91/89/544509189.db2.gz SPAZJPJLBCLRBG-SECBINFHSA-N -1 3 302.168 2.644 20 0 DFADHM CCc1cc([N-]C(=O)c2cn(-c3ccc(F)cc3C)nn2)no1 ZINC000678084186 544596876 /nfs/dbraw/zinc/59/68/76/544596876.db2.gz PZRKFFCZPIEYDD-UHFFFAOYSA-N -1 3 315.308 2.518 20 0 DFADHM Nc1ncc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000678130000 544607201 /nfs/dbraw/zinc/60/72/01/544607201.db2.gz DKQGIHBYKJLRFH-UHFFFAOYSA-N -1 3 317.414 2.526 20 0 DFADHM O=C(NCc1nccn1C(F)F)c1cc2c(cc1[O-])CCCC2 ZINC000299307603 229040907 /nfs/dbraw/zinc/04/09/07/229040907.db2.gz IVWIWSSICZDPNK-UHFFFAOYSA-N -1 3 321.327 2.793 20 0 DFADHM Cc1ccc(C(=O)N(CCO)CCc2ccccc2)c([O-])c1C ZINC000678324728 544651375 /nfs/dbraw/zinc/65/13/75/544651375.db2.gz JAZHZRLEJIHJMM-UHFFFAOYSA-N -1 3 313.397 2.686 20 0 DFADHM O=C(NCc1ccccc1N1CCCC1)c1c([O-])cccc1O ZINC000678342947 544655687 /nfs/dbraw/zinc/65/56/87/544655687.db2.gz IMUCJYYWJZVAJP-UHFFFAOYSA-N -1 3 312.369 2.628 20 0 DFADHM CCC1(O)CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000678493506 544683631 /nfs/dbraw/zinc/68/36/31/544683631.db2.gz LAANLFPSKMOHTC-UHFFFAOYSA-N -1 3 323.867 2.764 20 0 DFADHM Cc1cccc([O-])c1NC(=O)CCn1cc(Br)cn1 ZINC000679319632 544831397 /nfs/dbraw/zinc/83/13/97/544831397.db2.gz IKWGIYQWNJTQNN-UHFFFAOYSA-N -1 3 324.178 2.688 20 0 DFADHM COc1nc(NC(=O)[C@H](C)c2ccccc2C(F)(F)F)n[n-]1 ZINC000679319777 544832364 /nfs/dbraw/zinc/83/23/64/544832364.db2.gz FAXBKWAFMWPYOD-SSDOTTSWSA-N -1 3 314.267 2.574 20 0 DFADHM COc1nnc(NC(=O)[C@H](C)c2ccccc2C(F)(F)F)[n-]1 ZINC000679319777 544832365 /nfs/dbraw/zinc/83/23/65/544832365.db2.gz FAXBKWAFMWPYOD-SSDOTTSWSA-N -1 3 314.267 2.574 20 0 DFADHM COc1n[n-]c(NC(=O)[C@H](C)c2ccccc2C(F)(F)F)n1 ZINC000679319777 544832370 /nfs/dbraw/zinc/83/23/70/544832370.db2.gz FAXBKWAFMWPYOD-SSDOTTSWSA-N -1 3 314.267 2.574 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC=CCC1 ZINC000679381988 544845843 /nfs/dbraw/zinc/84/58/43/544845843.db2.gz RCIXQEQEQIRHJB-UHFFFAOYSA-N -1 3 311.179 2.626 20 0 DFADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(O)cc1[O-] ZINC000679520136 544865880 /nfs/dbraw/zinc/86/58/80/544865880.db2.gz GKXIGJDGZVDSOG-IUCAKERBSA-N -1 3 303.280 2.901 20 0 DFADHM CC(C)(O)C(C)(C)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000679536955 544867304 /nfs/dbraw/zinc/86/73/04/544867304.db2.gz RPTLBLDYIMXFEY-UHFFFAOYSA-N -1 3 315.373 2.721 20 0 DFADHM Cc1nccc([N-]S(=O)(=O)c2cccc(F)c2F)c1Cl ZINC000679648179 544889779 /nfs/dbraw/zinc/88/97/79/544889779.db2.gz RTZHDCIDJVGQCO-UHFFFAOYSA-N -1 3 318.732 2.544 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)cc1C ZINC000679647196 544889970 /nfs/dbraw/zinc/88/99/70/544889970.db2.gz IBARVTSKPDAYKQ-UHFFFAOYSA-N -1 3 310.806 2.883 20 0 DFADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1nc[n-]n1 ZINC000679723246 544906410 /nfs/dbraw/zinc/90/64/10/544906410.db2.gz KVAPKAPLDDDDFL-UHFFFAOYSA-N -1 3 306.194 2.711 20 0 DFADHM O=C(Nc1cccc(CN2CCCC2=O)c1)c1cccc([O-])c1 ZINC000679629724 544884706 /nfs/dbraw/zinc/88/47/06/544884706.db2.gz OSXHGHOBQFUCEQ-UHFFFAOYSA-N -1 3 310.353 2.767 20 0 DFADHM COc1ccc(Cn2nccc2NC(=O)c2cccc([O-])c2)cc1 ZINC000679637851 544886754 /nfs/dbraw/zinc/88/67/54/544886754.db2.gz RJPLTQFPWKBUPC-UHFFFAOYSA-N -1 3 323.352 2.898 20 0 DFADHM COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)C2 ZINC000680241755 544976908 /nfs/dbraw/zinc/97/69/08/544976908.db2.gz KOTKKPMZVMOLMX-MRXNPFEDSA-N -1 3 311.381 2.997 20 0 DFADHM COc1ccc(C(=O)N(C)CCc2ccc(F)cc2)c([O-])c1 ZINC000055368971 425893342 /nfs/dbraw/zinc/89/33/42/425893342.db2.gz LXLAPIXBWMVGKW-UHFFFAOYSA-N -1 3 303.333 2.855 20 0 DFADHM CCOC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000057612638 425896755 /nfs/dbraw/zinc/89/67/55/425896755.db2.gz LGUMRYGGTUNGOH-UHFFFAOYSA-N -1 3 320.370 2.515 20 0 DFADHM CCCC[C@H](CC)CNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000057772016 425896904 /nfs/dbraw/zinc/89/69/04/425896904.db2.gz DGQALOJCPFAXID-AWEZNQCLSA-N -1 3 307.438 2.652 20 0 DFADHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)c1cccc(F)c1 ZINC000066293063 425903454 /nfs/dbraw/zinc/90/34/54/425903454.db2.gz VNOOLYSPUPLRHW-UHFFFAOYSA-N -1 3 317.364 2.512 20 0 DFADHM CSC[C@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000066766733 425906635 /nfs/dbraw/zinc/90/66/35/425906635.db2.gz SJTIRPHWQJEWKA-JTQLQIEISA-N -1 3 317.414 2.683 20 0 DFADHM COc1ccc(F)cc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000067551724 425911293 /nfs/dbraw/zinc/91/12/93/425911293.db2.gz YEQVEZOVAIDHBV-UHFFFAOYSA-N -1 3 303.265 2.876 20 0 DFADHM CN(CC1CCCCC1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000068602314 425918941 /nfs/dbraw/zinc/91/89/41/425918941.db2.gz ROEMEPRWDJXGTH-UHFFFAOYSA-N -1 3 315.373 2.614 20 0 DFADHM O=C(NCCc1cccc(F)c1)NCc1ccc([O-])c(F)c1 ZINC000155575333 425921334 /nfs/dbraw/zinc/92/13/34/425921334.db2.gz NKSCPHQUJRJCFC-UHFFFAOYSA-N -1 3 306.312 2.712 20 0 DFADHM CCC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc([O-])cc2F)CC1=O ZINC000124519520 425924034 /nfs/dbraw/zinc/92/40/34/425924034.db2.gz SFALOHTYCUFZNG-MNOVXSKESA-N -1 3 308.353 2.507 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc(C)c1F ZINC000155719277 425924919 /nfs/dbraw/zinc/92/49/19/425924919.db2.gz KWIVUOXFSPEPPB-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc(C)c1F ZINC000155719277 425924921 /nfs/dbraw/zinc/92/49/21/425924921.db2.gz KWIVUOXFSPEPPB-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1cc(F)ccc1[O-] ZINC000179652050 267705173 /nfs/dbraw/zinc/70/51/73/267705173.db2.gz QYIQBWSSYUQKAR-GQCTYLIASA-N -1 3 309.728 2.879 20 0 DFADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000007708358 425651265 /nfs/dbraw/zinc/65/12/65/425651265.db2.gz LCRCEDUZWKBWBW-UHFFFAOYSA-N -1 3 313.810 2.800 20 0 DFADHM Cc1ccc2nc([N-]C(=O)c3nc4nccc(C)n4n3)sc2c1 ZINC000007264192 425639134 /nfs/dbraw/zinc/63/91/34/425639134.db2.gz DNHBURQWAGDBBW-UHFFFAOYSA-N -1 3 324.369 2.603 20 0 DFADHM O=c1nc(CN2CCCC2)[n-]c2scc(-c3ccco3)c21 ZINC000009726162 425692972 /nfs/dbraw/zinc/69/29/72/425692972.db2.gz BSLCSKGSBSXXIR-UHFFFAOYSA-N -1 3 301.371 2.840 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CCC(c2ccccc2)CC1 ZINC000025521775 425805229 /nfs/dbraw/zinc/80/52/29/425805229.db2.gz XIGOBNAGUAEQNO-UHFFFAOYSA-N -1 3 306.369 2.978 20 0 DFADHM CC(C)(C)c1ccccc1OCC[N-]S(=O)(=O)c1ccco1 ZINC000188679320 267909994 /nfs/dbraw/zinc/90/99/94/267909994.db2.gz GMBDWQVMEVINPK-UHFFFAOYSA-N -1 3 323.414 2.934 20 0 DFADHM COc1ccc(C(=O)NCCc2cc(C)c(O)c(C)c2)c([O-])c1 ZINC000188710949 267910605 /nfs/dbraw/zinc/91/06/05/267910605.db2.gz RVGPRKKNCJHFHC-UHFFFAOYSA-N -1 3 315.369 2.696 20 0 DFADHM O=C(CCCC(=O)Nc1ccccc1O)Nc1ccccc1[O-] ZINC000045012250 425859758 /nfs/dbraw/zinc/85/97/58/425859758.db2.gz FWWYXYCNXKNIPR-UHFFFAOYSA-N -1 3 314.341 2.845 20 0 DFADHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000026880807 425814331 /nfs/dbraw/zinc/81/43/31/425814331.db2.gz JZGYOYFZIUKZDZ-VIFPVBQESA-N -1 3 317.382 2.936 20 0 DFADHM COc1cc2nc(-c3ccc(F)cc3)[n-]c(=O)c2cc1OC ZINC000028221082 425820616 /nfs/dbraw/zinc/82/06/16/425820616.db2.gz DHGUOLAMJVOYFF-UHFFFAOYSA-N -1 3 300.289 2.746 20 0 DFADHM Cc1ccsc1C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000028324370 425821289 /nfs/dbraw/zinc/82/12/89/425821289.db2.gz QOYOZBVNNMUXHQ-UHFFFAOYSA-N -1 3 303.355 2.813 20 0 DFADHM Cc1nn(C)c2ncc(NC(=O)c3cc(-c4ccco4)[n-]n3)cc12 ZINC000029804866 425828913 /nfs/dbraw/zinc/82/89/13/425828913.db2.gz KORCUYWNPKMYDI-UHFFFAOYSA-N -1 3 322.328 2.512 20 0 DFADHM Cc1nn(C)c2ncc(NC(=O)c3cc(-c4ccco4)n[n-]3)cc12 ZINC000029804866 425828915 /nfs/dbraw/zinc/82/89/15/425828915.db2.gz KORCUYWNPKMYDI-UHFFFAOYSA-N -1 3 322.328 2.512 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc2cc(F)ccc2s1 ZINC000190174144 267967441 /nfs/dbraw/zinc/96/74/41/267967441.db2.gz BFNVXOGNCIQBJN-UHFFFAOYSA-N -1 3 319.317 2.802 20 0 DFADHM COc1ccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c(F)c1 ZINC000031565006 425835246 /nfs/dbraw/zinc/83/52/46/425835246.db2.gz JPUHYKFUTAPIJV-UHFFFAOYSA-N -1 3 321.255 2.957 20 0 DFADHM CCC[C@H](NCc1cc(F)ccc1Br)C(=O)[O-] ZINC000036839218 425846459 /nfs/dbraw/zinc/84/64/59/425846459.db2.gz VIRNVADJODUNQX-NSHDSACASA-N -1 3 304.159 2.931 20 0 DFADHM O=C([O-])CN(Cc1ccc(Br)cc1F)C1CC1 ZINC000037598051 425848697 /nfs/dbraw/zinc/84/86/97/425848697.db2.gz CEPLSSLQECTCDX-UHFFFAOYSA-N -1 3 302.143 2.637 20 0 DFADHM Cc1ccc(C(=O)NCc2cccnc2OC(C)C)c([O-])c1 ZINC000044613360 425857147 /nfs/dbraw/zinc/85/71/47/425857147.db2.gz LXJJDQSWLZRHIV-UHFFFAOYSA-N -1 3 300.358 2.813 20 0 DFADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(Br)cc1F ZINC000044622253 425857570 /nfs/dbraw/zinc/85/75/70/425857570.db2.gz SSUAPIPQBMMIOW-NSHDSACASA-N -1 3 304.159 2.883 20 0 DFADHM COc1ccc([C@H](C)N(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000192519547 268039641 /nfs/dbraw/zinc/03/96/41/268039641.db2.gz OPTHDRCXMFLRJH-NSHDSACASA-N -1 3 301.342 2.940 20 0 DFADHM CN(CCCOc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000192608234 268042838 /nfs/dbraw/zinc/04/28/38/268042838.db2.gz 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2.981 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCc2ccc(NC(C)=O)cc2)c1 ZINC000195438912 426525958 /nfs/dbraw/zinc/52/59/58/426525958.db2.gz FXSAPHLKSKMCFG-UHFFFAOYSA-N -1 3 312.369 2.843 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N[C@H]3CCO[C@H](C)C3)c(=O)c2c1 ZINC000288568915 426526548 /nfs/dbraw/zinc/52/65/48/426526548.db2.gz WRDXLTUZIXZMQK-NEPJUHHUSA-N -1 3 300.358 2.546 20 0 DFADHM CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000288764557 426527543 /nfs/dbraw/zinc/52/75/43/426527543.db2.gz QZWDOCDVXLEYMQ-CYBMUJFWSA-N -1 3 320.389 2.523 20 0 DFADHM COC(=O)CCCO[N-]C(=O)Nc1ccc(C)cc1Cl ZINC000288784182 426531645 /nfs/dbraw/zinc/53/16/45/426531645.db2.gz KOKWJKVYYGBLPT-UHFFFAOYSA-N -1 3 300.742 2.655 20 0 DFADHM Cc1noc(OCc2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000264397156 426547018 /nfs/dbraw/zinc/54/70/18/426547018.db2.gz AESVZPPQWJMOBG-UHFFFAOYSA-N -1 3 318.358 2.546 20 0 DFADHM Cc1nc(C(C)(C)[N-]C(=O)C(F)(F)c2ccc(C)cc2)no1 ZINC000272554247 426555384 /nfs/dbraw/zinc/55/53/84/426555384.db2.gz UKELNSFZFFJKPC-UHFFFAOYSA-N -1 3 309.316 2.830 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)c(F)c1 ZINC000288898989 426549255 /nfs/dbraw/zinc/54/92/55/426549255.db2.gz JJCRQZCPLQMNRG-ZDUSSCGKSA-N -1 3 311.382 2.533 20 0 DFADHM CCCCCS(=O)(=O)[N-]c1cnc(-c2cccc(O)c2)nc1 ZINC000194625021 426489068 /nfs/dbraw/zinc/48/90/68/426489068.db2.gz AWOHCWIFKGEDTI-UHFFFAOYSA-N -1 3 321.402 2.781 20 0 DFADHM O=C(C1CCN(Cc2cc([O-])cc(F)c2)CC1)N1CCCCC1 ZINC000186162607 426489993 /nfs/dbraw/zinc/48/99/93/426489993.db2.gz HEWPIPUMIXYFLL-UHFFFAOYSA-N -1 3 320.408 2.756 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c1 ZINC000186172192 426490337 /nfs/dbraw/zinc/49/03/37/426490337.db2.gz VPUFDPRGDMOUJV-ZDUSSCGKSA-N -1 3 315.410 2.762 20 0 DFADHM O=C(NC[C@@H]1Cc2ccccc21)c1c[n-]c2ccccc2c1=O ZINC000194678405 426490470 /nfs/dbraw/zinc/49/04/70/426490470.db2.gz NOEFLQNAEMQPMP-ZDUSSCGKSA-N -1 3 304.349 2.598 20 0 DFADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1cc(C)no1 ZINC000177522438 426492384 /nfs/dbraw/zinc/49/23/84/426492384.db2.gz DJMPOVOEZAQTIS-UHFFFAOYSA-N -1 3 306.343 2.961 20 0 DFADHM Cc1c(NC(=O)c2cnn[n-]2)cccc1C(=O)Nc1ccccc1 ZINC000194822309 426493285 /nfs/dbraw/zinc/49/32/85/426493285.db2.gz AEEDGYBQZSTHMG-UHFFFAOYSA-N -1 3 321.340 2.618 20 0 DFADHM Cc1c(NC(=O)c2c[n-]nn2)cccc1C(=O)Nc1ccccc1 ZINC000194822309 426493287 /nfs/dbraw/zinc/49/32/87/426493287.db2.gz AEEDGYBQZSTHMG-UHFFFAOYSA-N -1 3 321.340 2.618 20 0 DFADHM Cc1c(NC(=O)c2cn[n-]n2)cccc1C(=O)Nc1ccccc1 ZINC000194822309 426493289 /nfs/dbraw/zinc/49/32/89/426493289.db2.gz AEEDGYBQZSTHMG-UHFFFAOYSA-N -1 3 321.340 2.618 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000194969096 426497232 /nfs/dbraw/zinc/49/72/32/426497232.db2.gz LFFHRQPYDWYANX-HIFRSBDPSA-N -1 3 301.317 2.826 20 0 DFADHM COC1(C[N-]S(=O)(=O)Cc2ccccc2F)CCCCC1 ZINC000186276687 426499179 /nfs/dbraw/zinc/49/91/79/426499179.db2.gz BYHNBHWQSVWMGB-UHFFFAOYSA-N -1 3 315.410 2.594 20 0 DFADHM C[C@H]1CCN(C(=O)CCCCc2c[nH]nn2)c2c([O-])cccc21 ZINC000186274928 426499330 /nfs/dbraw/zinc/49/93/30/426499330.db2.gz UWNBCVUIDADVOS-LBPRGKRZSA-N -1 3 314.389 2.764 20 0 DFADHM COc1nnc(NC(=O)CC2(CSc3ccccc3)CC2)[n-]1 ZINC000186301217 426500950 /nfs/dbraw/zinc/50/09/50/426500950.db2.gz OYGIRJKQUSPOIR-UHFFFAOYSA-N -1 3 318.402 2.714 20 0 DFADHM COc1nc(NC(=O)CC2(CSc3ccccc3)CC2)n[n-]1 ZINC000186301217 426500953 /nfs/dbraw/zinc/50/09/53/426500953.db2.gz OYGIRJKQUSPOIR-UHFFFAOYSA-N -1 3 318.402 2.714 20 0 DFADHM COc1n[n-]c(NC(=O)CC2(CSc3ccccc3)CC2)n1 ZINC000186301217 426500954 /nfs/dbraw/zinc/50/09/54/426500954.db2.gz OYGIRJKQUSPOIR-UHFFFAOYSA-N -1 3 318.402 2.714 20 0 DFADHM CCNC(=O)CCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186319481 426504541 /nfs/dbraw/zinc/50/45/41/426504541.db2.gz BOZWWBYQTYNPTC-GFCCVEGCSA-N -1 3 304.390 2.539 20 0 DFADHM CSCCO[N-]C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000280135098 426505078 /nfs/dbraw/zinc/50/50/78/426505078.db2.gz WVUDUFWALLFFCC-UHFFFAOYSA-N -1 3 309.309 2.539 20 0 DFADHM Cc1[nH]nc2ncc([N-]S(=O)(=O)Cc3cccc(C)c3)cc12 ZINC000186624364 426567085 /nfs/dbraw/zinc/56/70/85/426567085.db2.gz MKDYVDKSMTWSRI-UHFFFAOYSA-N -1 3 316.386 2.517 20 0 DFADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccsc2)cc1F ZINC000178124748 426574939 /nfs/dbraw/zinc/57/49/39/426574939.db2.gz YSEBUQAVXJWCLQ-UHFFFAOYSA-N -1 3 317.382 2.856 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)c1 ZINC000186689375 426579184 /nfs/dbraw/zinc/57/91/84/426579184.db2.gz QDEHIUSBMYRJDQ-SNVBAGLBSA-N -1 3 314.407 2.673 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000280500870 426586275 /nfs/dbraw/zinc/58/62/75/426586275.db2.gz CAGJKKXYVQDUPC-MQMHXKEQSA-N -1 3 324.377 2.655 20 0 DFADHM Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(F)ccc1[O-] ZINC000178328006 426605768 /nfs/dbraw/zinc/60/57/68/426605768.db2.gz WHXWEIHROZETHP-UHFFFAOYSA-N -1 3 313.279 2.921 20 0 DFADHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000178327473 426605929 /nfs/dbraw/zinc/60/59/29/426605929.db2.gz CNLHXUTULTTZEH-NWDGAFQWSA-N -1 3 322.380 2.755 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc2nncn2c1 ZINC000225544920 426606008 /nfs/dbraw/zinc/60/60/08/426606008.db2.gz AVHLMPFHAJFJCO-UHFFFAOYSA-N -1 3 314.320 2.535 20 0 DFADHM COCCCOc1ccc(C(=O)Nc2cc(F)ccc2[O-])cn1 ZINC000178327407 426606885 /nfs/dbraw/zinc/60/68/85/426606885.db2.gz IIVYRPDYOSSACN-UHFFFAOYSA-N -1 3 320.320 2.594 20 0 DFADHM Cc1cc(Cl)c(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1C ZINC000273176032 426608405 /nfs/dbraw/zinc/60/84/05/426608405.db2.gz DJYLWHNWCUMGHC-UHFFFAOYSA-N -1 3 317.776 2.651 20 0 DFADHM Cc1cc(CS(=O)(=O)[N-][C@H](C)c2cc3ccccc3o2)no1 ZINC000265339985 426621888 /nfs/dbraw/zinc/62/18/88/426621888.db2.gz OMKQLZQNCSLBRS-LLVKDONJSA-N -1 3 320.370 2.910 20 0 DFADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)C2=CCCC2)CC1 ZINC000178352301 426611949 /nfs/dbraw/zinc/61/19/49/426611949.db2.gz FSIFCAKROXKSLA-UHFFFAOYSA-N -1 3 314.385 2.680 20 0 DFADHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)C2CC=CC2)CC1 ZINC000178347474 426612634 /nfs/dbraw/zinc/61/26/34/426612634.db2.gz WQTPANFGPCCYFN-UHFFFAOYSA-N -1 3 314.385 2.536 20 0 DFADHM C[C@@H](C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)C1CC1 ZINC000178347793 426612828 /nfs/dbraw/zinc/61/28/28/426612828.db2.gz JWUDDKRIVGYKNI-GFCCVEGCSA-N -1 3 316.401 2.615 20 0 DFADHM O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1cccc([O-])c1 ZINC000272553664 426557004 /nfs/dbraw/zinc/55/70/04/426557004.db2.gz BFNKTUKFTHIDQS-CYBMUJFWSA-N -1 3 307.415 2.567 20 0 DFADHM COC(=O)CCCCCCCNC(=O)c1ccc([O-])c(C)c1 ZINC000272575428 426562473 /nfs/dbraw/zinc/56/24/73/426562473.db2.gz DIZWUYNTQFFGEB-UHFFFAOYSA-N -1 3 307.390 2.944 20 0 DFADHM C[C@@]1(CCCO)CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000273292287 426636371 /nfs/dbraw/zinc/63/63/71/426636371.db2.gz CQDLJQTYXJGNKA-SFHVURJKSA-N -1 3 314.385 2.708 20 0 DFADHM Cc1c([C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)cnn1C ZINC000178485529 426638808 /nfs/dbraw/zinc/63/88/08/426638808.db2.gz SJXFDXQLSILPOE-VIFPVBQESA-N -1 3 307.781 2.507 20 0 DFADHM C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289381703 426643334 /nfs/dbraw/zinc/64/33/34/426643334.db2.gz JFOGTTJNPHZEDE-MWLCHTKSSA-N -1 3 324.787 2.831 20 0 DFADHM O=C(C[C@@H]1CCCO1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000178748727 426686507 /nfs/dbraw/zinc/68/65/07/426686507.db2.gz HEZCKODOAMMWPH-LBPRGKRZSA-N -1 3 303.280 2.822 20 0 DFADHM C[C@H](CNC(=O)c1c(F)ccc([O-])c1F)N1CCC[C@@H](C)C1 ZINC000280745279 426648070 /nfs/dbraw/zinc/64/80/70/426648070.db2.gz KBGQEVVGUXZSLY-GHMZBOCLSA-N -1 3 312.360 2.521 20 0 DFADHM CC(C)(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000280832568 426664816 /nfs/dbraw/zinc/66/48/16/426664816.db2.gz PFPALHHKULBWEC-UHFFFAOYSA-N -1 3 313.283 2.784 20 0 DFADHM CC(C)(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000280832568 426664819 /nfs/dbraw/zinc/66/48/19/426664819.db2.gz PFPALHHKULBWEC-UHFFFAOYSA-N -1 3 313.283 2.784 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)c(F)c1 ZINC000273457351 426666914 /nfs/dbraw/zinc/66/69/14/426666914.db2.gz DEURJMSIVWZCEZ-CHWSQXEVSA-N -1 3 315.410 2.618 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000236606238 426666990 /nfs/dbraw/zinc/66/69/90/426666990.db2.gz QIKNZFUMMRFZBJ-BDJLRTHQSA-N -1 3 309.793 2.813 20 0 DFADHM O=C(NCCc1nc2ccc(F)cc2[nH]1)c1c([O-])cccc1F ZINC000187524728 426668750 /nfs/dbraw/zinc/66/87/50/426668750.db2.gz QFGNCLLMANTMRX-UHFFFAOYSA-N -1 3 317.295 2.519 20 0 DFADHM Cc1ccc([O-])c(NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)n1 ZINC000273462448 426669900 /nfs/dbraw/zinc/66/99/00/426669900.db2.gz IRYGQLYTPVHNHK-GFCCVEGCSA-N -1 3 319.405 2.509 20 0 DFADHM O=C(NCCOCC1CC1)c1cc([O-])ccc1C(F)(F)F ZINC000280650661 426624595 /nfs/dbraw/zinc/62/45/95/426624595.db2.gz ZILSIEQLKXXTIO-UHFFFAOYSA-N -1 3 303.280 2.567 20 0 DFADHM O=C([O-])[C@H]1CCCN1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000238101385 426708317 /nfs/dbraw/zinc/70/83/17/426708317.db2.gz FZUBJPOTQRTLMX-QGZVFWFLSA-N -1 3 324.380 2.988 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000178854094 426708770 /nfs/dbraw/zinc/70/87/70/426708770.db2.gz VATAKGMPYVGBRA-ZDUSSCGKSA-N -1 3 305.374 2.647 20 0 DFADHM CCc1ccc(-c2nc(CCN(C(C)=O)C(C)C)no2)c([O-])c1 ZINC000290215115 426718341 /nfs/dbraw/zinc/71/83/41/426718341.db2.gz YYTKJHUUNYNBAF-UHFFFAOYSA-N -1 3 317.389 2.804 20 0 DFADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccnc1-c1ccccc1 ZINC000178916119 426720448 /nfs/dbraw/zinc/72/04/48/426720448.db2.gz OCSKDZUDYMSVCR-AWEZNQCLSA-N -1 3 318.398 2.669 20 0 DFADHM O=S(=O)([N-][C@@H]1CCSc2c(F)cccc21)c1ccco1 ZINC000188598346 426768597 /nfs/dbraw/zinc/76/85/97/426768597.db2.gz NXOXAFLSJHPDJN-LLVKDONJSA-N -1 3 313.375 2.934 20 0 DFADHM CO[C@H]1CCN(Cc2cc(=O)oc3c(C)c([O-])ccc23)[C@H](C)C1 ZINC000281805293 426768591 /nfs/dbraw/zinc/76/85/91/426768591.db2.gz VQGITRBVDIMXPK-RISCZKNCSA-N -1 3 317.385 2.806 20 0 DFADHM CN1CC[C@H](NC(=O)c2ccc(F)cc2[O-])[C@@H]1c1ccccc1 ZINC000179220663 426771770 /nfs/dbraw/zinc/77/17/70/426771770.db2.gz UFYBJRMCHGOKBC-RDJZCZTQSA-N -1 3 314.360 2.707 20 0 DFADHM O=S(=O)([N-]Cc1ccc(Br)cc1)c1ccco1 ZINC000188676234 426776129 /nfs/dbraw/zinc/77/61/29/426776129.db2.gz NKKFYLONAWZKPP-UHFFFAOYSA-N -1 3 316.176 2.521 20 0 DFADHM Cc1ccc(C(=O)Nc2cn(Cc3ccccc3)nn2)c([O-])c1 ZINC000188694406 426779262 /nfs/dbraw/zinc/77/92/62/426779262.db2.gz PTNGCOCIHZJETQ-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM CC[C@@H](C[N-]S(=O)(=O)c1ccco1)Oc1cccc(C)c1 ZINC000188748909 426783456 /nfs/dbraw/zinc/78/34/56/426783456.db2.gz ANJHOFXJPUCXAA-ZDUSSCGKSA-N -1 3 309.387 2.724 20 0 DFADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccco2)C1(CC)CC ZINC000188748417 426784150 /nfs/dbraw/zinc/78/41/50/426784150.db2.gz UKACVDLWXOIBAT-NEPJUHHUSA-N -1 3 301.408 2.542 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccccc1N1CCCC1=O ZINC000179399187 426784204 /nfs/dbraw/zinc/78/42/04/426784204.db2.gz KOJBYXOYGOPPQM-BQYQJAHWSA-N -1 3 323.352 2.566 20 0 DFADHM O=S(=O)([N-]CC1CC1)c1cc(Cl)ccc1Br ZINC000281891796 426785327 /nfs/dbraw/zinc/78/53/27/426785327.db2.gz DQAQMJWODXVQIT-UHFFFAOYSA-N -1 3 324.627 2.791 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](C)C(C)(C)C2)c(=O)[n-]1 ZINC000274185008 426723810 /nfs/dbraw/zinc/72/38/10/426723810.db2.gz KEPHYRAAKYMHHF-NSHDSACASA-N -1 3 305.422 2.626 20 0 DFADHM Cc1nccn1C[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000290267392 426728411 /nfs/dbraw/zinc/72/84/11/426728411.db2.gz BNSNQUJOTQGDIA-GFCCVEGCSA-N -1 3 319.792 2.855 20 0 DFADHM CC[C@H](C)c1nc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)n[nH]1 ZINC000290275326 426731080 /nfs/dbraw/zinc/73/10/80/426731080.db2.gz YLVRTXJXRQBYAJ-YUMQZZPRSA-N -1 3 324.331 2.793 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)[C@H]1CCOC1 ZINC000281661547 426738803 /nfs/dbraw/zinc/73/88/03/426738803.db2.gz NNCVGARUWZGNIZ-BDAKNGLRSA-N -1 3 324.229 2.697 20 0 DFADHM C[C@H]1C[C@@H](CC(=O)N2CCc3nc[n-]c(=O)c3C2)CC(C)(C)C1 ZINC000179052863 426742659 /nfs/dbraw/zinc/74/26/59/426742659.db2.gz ZQYQFKOLAKICHH-STQMWFEESA-N -1 3 317.433 2.507 20 0 DFADHM C[C@@H]1C[C@@H](CC(=O)N2CCc3nc[n-]c(=O)c3C2)CC(C)(C)C1 ZINC000179052852 426743760 /nfs/dbraw/zinc/74/37/60/426743760.db2.gz ZQYQFKOLAKICHH-OLZOCXBDSA-N -1 3 317.433 2.507 20 0 DFADHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(C)C ZINC000188381808 426746703 /nfs/dbraw/zinc/74/67/03/426746703.db2.gz OPZKUEGGVHHHDQ-GFCCVEGCSA-N -1 3 323.817 2.819 20 0 DFADHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C[C@H]1n1ccnc1 ZINC000290416577 426759470 /nfs/dbraw/zinc/75/94/70/426759470.db2.gz FYPUNCUVRYLTNJ-XHDPSFHLSA-N -1 3 319.792 2.965 20 0 DFADHM CCCC[C@H]1CCC[C@H]1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000274403490 426761180 /nfs/dbraw/zinc/76/11/80/426761180.db2.gz AWISMUOMCKSQAG-XJKSGUPXSA-N -1 3 318.417 2.597 20 0 DFADHM CCCC[C@H]1CCC[C@@H]1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000274403487 426762030 /nfs/dbraw/zinc/76/20/30/426762030.db2.gz AWISMUOMCKSQAG-BBRMVZONSA-N -1 3 318.417 2.597 20 0 DFADHM CO[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)C(C)(C)C ZINC000266695020 426764183 /nfs/dbraw/zinc/76/41/83/426764183.db2.gz OHNHQIXBMOLUHR-OAHLLOKOSA-N -1 3 302.374 2.731 20 0 DFADHM CSc1nnc(NC(=O)[C@H](C)CCOc2ccccc2)[n-]1 ZINC000266706094 426764743 /nfs/dbraw/zinc/76/47/43/426764743.db2.gz PPQZYJNHVKWHDW-SNVBAGLBSA-N -1 3 306.391 2.570 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@H](C)CCOc2ccccc2)n1 ZINC000266706094 426764745 /nfs/dbraw/zinc/76/47/45/426764745.db2.gz PPQZYJNHVKWHDW-SNVBAGLBSA-N -1 3 306.391 2.570 20 0 DFADHM CSc1nc(NC(=O)[C@H](C)CCOc2ccccc2)n[n-]1 ZINC000266706094 426764749 /nfs/dbraw/zinc/76/47/49/426764749.db2.gz PPQZYJNHVKWHDW-SNVBAGLBSA-N -1 3 306.391 2.570 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000245702538 426766257 /nfs/dbraw/zinc/76/62/57/426766257.db2.gz LRENVRPCSZMCQA-DAXOMENPSA-N -1 3 301.386 2.778 20 0 DFADHM CC[C@](C)(NC(=O)/C=C/c1cncc([O-])c1)c1nccs1 ZINC000179511669 426798124 /nfs/dbraw/zinc/79/81/24/426798124.db2.gz BUNWGSYOGXBTFM-RGDDUWESSA-N -1 3 303.387 2.699 20 0 DFADHM CNC(=O)c1ccc(/C=C/C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000179550063 426800189 /nfs/dbraw/zinc/80/01/89/426800189.db2.gz DLXVSQJLIRQJCC-DHZHZOJOSA-N 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CC(=O)CCc1ccc(OCC(=O)[N-]c2onc(C)c2C)cc1 ZINC000267156006 426832331 /nfs/dbraw/zinc/83/23/31/426832331.db2.gz FPYYFKLJIXCKKO-UHFFFAOYSA-N -1 3 316.357 2.831 20 0 DFADHM COc1ccc(C[C@@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1OC ZINC000267187735 426839012 /nfs/dbraw/zinc/83/90/12/426839012.db2.gz AVYHZIMKOHMMPN-MRVPVSSYSA-N -1 3 323.286 2.651 20 0 DFADHM CC(C)CO[N-]C(=O)c1cc(Cl)ncc1Br ZINC000290785147 426839069 /nfs/dbraw/zinc/83/90/69/426839069.db2.gz CNNLWMKIBJOVEV-UHFFFAOYSA-N -1 3 307.575 2.815 20 0 DFADHM CO[C@@H]1CN(Cc2cc(=O)oc3c(C)c([O-])ccc23)CC[C@H]1C ZINC000189362261 426845298 /nfs/dbraw/zinc/84/52/98/426845298.db2.gz YYTLSDLZVCPDJS-BDJLRTHQSA-N -1 3 317.385 2.664 20 0 DFADHM C[C@@H]1CCN(C(=O)CCc2ccc3ccccc3c2[O-])[C@@H]1CO ZINC000295162756 426846319 /nfs/dbraw/zinc/84/63/19/426846319.db2.gz FLSFDWQEQULKRD-CXAGYDPISA-N -1 3 313.397 2.707 20 0 DFADHM C[C@H]1CCN(C(=O)CCc2ccc3ccccc3c2[O-])[C@H]1CO ZINC000295162760 426846373 /nfs/dbraw/zinc/84/63/73/426846373.db2.gz FLSFDWQEQULKRD-GUYCJALGSA-N 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O=C([O-])c1cccnc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309579996 426915277 /nfs/dbraw/zinc/91/52/77/426915277.db2.gz UXPAVHPKDMAHHF-OAHLLOKOSA-N -1 3 311.385 2.856 20 0 DFADHM Cc1nc(C)c(CCC(=O)NCC2(C)CCCCC2)c(=O)[n-]1 ZINC000268110941 426917700 /nfs/dbraw/zinc/91/77/00/426917700.db2.gz IPKFLENSWHBWOE-UHFFFAOYSA-N -1 3 305.422 2.818 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCS[C@H]2CCCC[C@H]21 ZINC000282530834 426919101 /nfs/dbraw/zinc/91/91/01/426919101.db2.gz QGINJEHDSDOSRY-OLZOCXBDSA-N -1 3 320.393 2.597 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCS[C@H]2CCCC[C@H]21 ZINC000282530834 426919110 /nfs/dbraw/zinc/91/91/10/426919110.db2.gz QGINJEHDSDOSRY-OLZOCXBDSA-N -1 3 320.393 2.597 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCS[C@H]2CCCC[C@H]21 ZINC000282530834 426919115 /nfs/dbraw/zinc/91/91/15/426919115.db2.gz QGINJEHDSDOSRY-OLZOCXBDSA-N -1 3 320.393 2.597 20 0 DFADHM CCc1cc2c(CN[C@@H]3CCOC3(C)C)cc(=O)oc2cc1[O-] ZINC000295345736 426919034 /nfs/dbraw/zinc/91/90/34/426919034.db2.gz YDRXXUQVGFRWEV-MRXNPFEDSA-N -1 3 317.385 2.718 20 0 DFADHM CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc([O-])c(CC)c1 ZINC000291591062 426920634 /nfs/dbraw/zinc/92/06/34/426920634.db2.gz WFLSAJAHCWOJHN-CQSZACIVSA-N -1 3 305.374 2.512 20 0 DFADHM O=S(=O)([N-]c1cccc(CCO)c1)c1ccc2c(c1)CCC2 ZINC000313175120 426923289 /nfs/dbraw/zinc/92/32/89/426923289.db2.gz ASXLXZAMEXEEEG-UHFFFAOYSA-N -1 3 317.410 2.511 20 0 DFADHM CCc1ccc(S(=O)(=O)[N-]c2cccc(CCO)c2)cc1 ZINC000313139692 426923650 /nfs/dbraw/zinc/92/36/50/426923650.db2.gz FLOYBFZXQKEGAX-UHFFFAOYSA-N -1 3 305.399 2.585 20 0 DFADHM COc1cc(F)c([N-]C(=O)c2ncn(C(C)(C)C)n2)cc1F ZINC000291599743 426924251 /nfs/dbraw/zinc/92/42/51/426924251.db2.gz BWRXYZSZDSLNMZ-UHFFFAOYSA-N -1 3 310.304 2.572 20 0 DFADHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000180466361 426861511 /nfs/dbraw/zinc/86/15/11/426861511.db2.gz XPNNROOIRNZLLT-SECBINFHSA-N -1 3 305.353 2.699 20 0 DFADHM COC(=O)[C@]1(C)CN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@H]1C ZINC000282270799 426866345 /nfs/dbraw/zinc/86/63/45/426866345.db2.gz XGWXFLPYPKMOLU-KZULUSFZSA-N -1 3 319.401 2.787 20 0 DFADHM C[C@H]1CCCN(c2cc(C(=O)Nc3ncccc3[O-])ccn2)C1 ZINC000290929832 426868334 /nfs/dbraw/zinc/86/83/34/426868334.db2.gz IYHNOQXJLDJXQO-LBPRGKRZSA-N -1 3 312.373 2.671 20 0 DFADHM CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4cc([O-])ccc4Cl)[C@H]1[C@H]3C2 ZINC000290937561 426870838 /nfs/dbraw/zinc/87/08/38/426870838.db2.gz PMSAEXJKOYBUQF-NOORDTQPSA-N -1 3 307.777 2.541 20 0 DFADHM Cc1cc(C(=O)N2CCN[C@@H](c3cccc(F)c3)C2)ccc1[O-] ZINC000337607732 426877519 /nfs/dbraw/zinc/87/75/19/426877519.db2.gz VZYVBXPDANIZHZ-MRXNPFEDSA-N -1 3 314.360 2.626 20 0 DFADHM C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(Cl)cn1 ZINC000337609584 426877947 /nfs/dbraw/zinc/87/79/47/426877947.db2.gz UWQQAWIKUOXTJA-ZETCQYMHSA-N -1 3 319.727 2.636 20 0 DFADHM C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(Cl)cn1 ZINC000337609584 426877952 /nfs/dbraw/zinc/87/79/52/426877952.db2.gz UWQQAWIKUOXTJA-ZETCQYMHSA-N -1 3 319.727 2.636 20 0 DFADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Cl)cn1 ZINC000337609584 426877958 /nfs/dbraw/zinc/87/79/58/426877958.db2.gz UWQQAWIKUOXTJA-ZETCQYMHSA-N -1 3 319.727 2.636 20 0 DFADHM COCCc1ccccc1NC([O-])=NOCc1cccnc1 ZINC000189557966 426890602 /nfs/dbraw/zinc/89/06/02/426890602.db2.gz WTMOWNOGHBUOFQ-UHFFFAOYSA-N -1 3 301.346 2.524 20 0 DFADHM COCCc1ccccc1NC(=O)[N-]OCc1cccnc1 ZINC000189557966 426890609 /nfs/dbraw/zinc/89/06/09/426890609.db2.gz WTMOWNOGHBUOFQ-UHFFFAOYSA-N -1 3 301.346 2.524 20 0 DFADHM CCc1cc(C(=O)N(C)Cc2nccn2C(F)F)ccc1[O-] ZINC000291475989 426891147 /nfs/dbraw/zinc/89/11/47/426891147.db2.gz MECJYHIUZJXRFC-UHFFFAOYSA-N -1 3 309.316 2.818 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC2(C)C)sc1Cl ZINC000295286345 426891891 /nfs/dbraw/zinc/89/18/91/426891891.db2.gz NCMJYSQYGQZODS-QMMMGPOBSA-N -1 3 309.840 2.556 20 0 DFADHM Cc1ccc(OC2CCN(C(=O)c3ccccc3[O-])CC2)nc1 ZINC000180862543 426895382 /nfs/dbraw/zinc/89/53/82/426895382.db2.gz RDZXQOAJRZRHQZ-UHFFFAOYSA-N -1 3 312.369 2.779 20 0 DFADHM COc1cccc(C(=O)N2CCCCC[C@H]2c2ncon2)c1[O-] ZINC000189583556 426895813 /nfs/dbraw/zinc/89/58/13/426895813.db2.gz WPTAYBLRYHDZTM-LBPRGKRZSA-N -1 3 317.345 2.541 20 0 DFADHM Cc1cc(C[N-]C(=O)C(F)(F)C(F)F)cc(N2CCCC2)n1 ZINC000291512425 426901485 /nfs/dbraw/zinc/90/14/85/426901485.db2.gz WUBJTWJDBNSPHK-UHFFFAOYSA-N -1 3 319.302 2.507 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)CNCC(F)(F)F)c([O-])c1 ZINC000337659298 426904623 /nfs/dbraw/zinc/90/46/23/426904623.db2.gz PNEZBIINJHMDLE-UHFFFAOYSA-N -1 3 304.312 2.780 20 0 DFADHM COc1cc(C(=O)N(C)CCOc2ccc(C)cc2)ccc1[O-] ZINC000268073155 426904909 /nfs/dbraw/zinc/90/49/09/426904909.db2.gz LIYBFNZAJWAKBU-UHFFFAOYSA-N -1 3 315.369 2.860 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])NC[C@H]1CCC[C@@H]1O ZINC000295318885 426906051 /nfs/dbraw/zinc/90/60/51/426906051.db2.gz OQCHRAJMXWZRHK-WBVHZDCISA-N -1 3 313.397 2.755 20 0 DFADHM COc1cc(C(=O)N(C)CCCOc2ccccc2)ccc1[O-] ZINC000268074835 426906578 /nfs/dbraw/zinc/90/65/78/426906578.db2.gz MCSIGFYVMHDION-UHFFFAOYSA-N -1 3 315.369 2.942 20 0 DFADHM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1ccc(O)cc1[O-] ZINC000181049665 426908064 /nfs/dbraw/zinc/90/80/64/426908064.db2.gz LTOQVJPLEWUGTH-CQSZACIVSA-N -1 3 317.316 2.881 20 0 DFADHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000295321928 426909133 /nfs/dbraw/zinc/90/91/33/426909133.db2.gz PSGCSSXMIRKDKH-JTQLQIEISA-N -1 3 324.229 2.839 20 0 DFADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cn3ccccc3n2)C1 ZINC000317124122 426954230 /nfs/dbraw/zinc/95/42/30/426954230.db2.gz DDSXUVZZVLHDIX-CYBMUJFWSA-N -1 3 301.390 2.657 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)ccc1[O-] ZINC000275967143 426956062 /nfs/dbraw/zinc/95/60/62/426956062.db2.gz JFCJYYQPHQWKEH-DOMZBBRYSA-N -1 3 307.390 2.724 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@@H]1CCCC[C@@H]1O ZINC000295433233 426956217 /nfs/dbraw/zinc/95/62/17/426956217.db2.gz MPPGJRDMQPLURY-SJORKVTESA-N -1 3 313.397 2.898 20 0 DFADHM COc1cc(C(=O)N2CCC(C(F)(F)F)CC2)ccc1[O-] ZINC000275958552 426957015 /nfs/dbraw/zinc/95/70/15/426957015.db2.gz 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ZZSWWTHAZTUEBF-VXGBXAGGSA-N -1 3 318.200 2.916 20 0 DFADHM O=C(Cc1c[nH]c2cc(Br)ccc12)[N-]OCC1CC1 ZINC000293852027 427462433 /nfs/dbraw/zinc/46/24/33/427462433.db2.gz VBUDOSBWHCFHQT-UHFFFAOYSA-N -1 3 323.190 2.931 20 0 DFADHM Cc1cc(C[C@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)[nH]n1 ZINC000331639441 427465907 /nfs/dbraw/zinc/46/59/07/427465907.db2.gz IGWLCYSGXKUDNY-NSHDSACASA-N -1 3 313.401 2.664 20 0 DFADHM C[C@H](CN(C)Cc1cccc(Br)c1F)C(=O)[O-] ZINC000263353107 427468847 /nfs/dbraw/zinc/46/88/47/427468847.db2.gz QNJAGMKJJAXLEI-MRVPVSSYSA-N -1 3 304.159 2.741 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263357239 427471376 /nfs/dbraw/zinc/47/13/76/427471376.db2.gz RDDPYRLJPBFWCZ-GRYCIOLGSA-N -1 3 324.808 2.710 20 0 DFADHM Cc1ccccc1[C@@H]([C@H](C)Nc1cnc(C(=O)[O-])cn1)N(C)C ZINC000263374657 427473561 /nfs/dbraw/zinc/47/35/61/427473561.db2.gz BAYQXLOEGZLDBO-BLLLJJGKSA-N -1 3 314.389 2.587 20 0 DFADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cccc2c1OCCCO2 ZINC000263372538 427473668 /nfs/dbraw/zinc/47/36/68/427473668.db2.gz VUTGPEXBJHYNAV-JSGCOSHPSA-N -1 3 305.374 2.533 20 0 DFADHM CC(C)COC[C@H]([N-]S(=O)(=O)CCC1CC1)c1ccco1 ZINC000271270251 427476234 /nfs/dbraw/zinc/47/62/34/427476234.db2.gz NJOGYBISDGMZIT-AWEZNQCLSA-N -1 3 315.435 2.713 20 0 DFADHM COc1ccc(N(C)C(=O)c2cc3c(cc2[O-])CCCC3)cn1 ZINC000271279946 427479793 /nfs/dbraw/zinc/47/97/93/427479793.db2.gz QESMQULLVKESJF-UHFFFAOYSA-N -1 3 312.369 2.951 20 0 DFADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccn1C(C)C ZINC000338665894 427430199 /nfs/dbraw/zinc/43/01/99/427430199.db2.gz ZEXWBROAWNZVFN-UHFFFAOYSA-N -1 3 310.361 2.810 20 0 DFADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccn1C(C)C ZINC000338665894 427430209 /nfs/dbraw/zinc/43/02/09/427430209.db2.gz ZEXWBROAWNZVFN-UHFFFAOYSA-N -1 3 310.361 2.810 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CCc2nccs2)sc1Cl ZINC000191919737 427446376 /nfs/dbraw/zinc/44/63/76/427446376.db2.gz GLLRXDOUJYHMEB-UHFFFAOYSA-N -1 3 322.864 2.687 20 0 DFADHM CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338798943 427497900 /nfs/dbraw/zinc/49/79/00/427497900.db2.gz DGCAODLKBVJTHV-XPTSAGLGSA-N -1 3 319.323 2.938 20 0 DFADHM COc1cc2c(c(CNC[C@H](CC(C)C)C(=O)[O-])c1)O[C@H](C)C2 ZINC000263483789 427499793 /nfs/dbraw/zinc/49/97/93/427499793.db2.gz LRMQVKZNFZHHHH-DOMZBBRYSA-N -1 3 321.417 2.855 20 0 DFADHM CCO[C@H]1C[C@@H](NCc2nc(=O)c3sccc3[n-]2)C12CCC2 ZINC000298035464 427507887 /nfs/dbraw/zinc/50/78/87/427507887.db2.gz CQSRUTUIOWTPEY-NEPJUHHUSA-N -1 3 319.430 2.834 20 0 DFADHM COc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1C ZINC000263524464 427509286 /nfs/dbraw/zinc/50/92/86/427509286.db2.gz SQEXGESEHRIRHV-VXGBXAGGSA-N -1 3 317.307 2.699 20 0 DFADHM Cc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c(C)c1 ZINC000263533422 427510488 /nfs/dbraw/zinc/51/04/88/427510488.db2.gz XWCHMSUTTQXDNG-CHWSQXEVSA-N -1 3 301.308 2.998 20 0 DFADHM C[C@@]1(C(=O)[O-])CCN(Cc2c(F)cccc2N2CCCC2)C1 ZINC000263529618 427511358 /nfs/dbraw/zinc/51/13/58/427511358.db2.gz VUCVREKYAXSAFJ-QGZVFWFLSA-N -1 3 306.381 2.723 20 0 DFADHM O=C(Nc1nc2cccnc2[nH]1)c1cc([O-])ccc1C(F)(F)F ZINC000338842957 427518285 /nfs/dbraw/zinc/51/82/85/427518285.db2.gz MAZNCOHVWDBFSL-UHFFFAOYSA-N -1 3 322.246 2.935 20 0 DFADHM CC(C)(C)Cc1cc(NC(=O)c2cc(F)cc3[n-]nnc32)n[nH]1 ZINC000278973829 427518941 /nfs/dbraw/zinc/51/89/41/427518941.db2.gz XVXPEXYNBPQUHK-UHFFFAOYSA-N -1 3 316.340 2.661 20 0 DFADHM CC(C)(C)Cc1cc(NC(=O)c2cc(F)cc3nn[n-]c32)n[nH]1 ZINC000278973829 427518947 /nfs/dbraw/zinc/51/89/47/427518947.db2.gz XVXPEXYNBPQUHK-UHFFFAOYSA-N -1 3 316.340 2.661 20 0 DFADHM CC(C)(C)Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)n[nH]1 ZINC000278973829 427518957 /nfs/dbraw/zinc/51/89/57/427518957.db2.gz XVXPEXYNBPQUHK-UHFFFAOYSA-N -1 3 316.340 2.661 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC(Oc3ccccn3)CC2)c1 ZINC000332127720 427521034 /nfs/dbraw/zinc/52/10/34/427521034.db2.gz NLJNTICWIWXIHJ-UHFFFAOYSA-N -1 3 312.369 2.779 20 0 DFADHM CC[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000263577589 427525924 /nfs/dbraw/zinc/52/59/24/427525924.db2.gz RPERKHLZYALUAD-QWHCGFSZSA-N -1 3 315.316 2.525 20 0 DFADHM C[C@@H](c1cnn(C)c1)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332167266 427530564 /nfs/dbraw/zinc/53/05/64/427530564.db2.gz RHWGNRUTZMASOD-LBPRGKRZSA-N -1 3 313.401 2.838 20 0 DFADHM CC(C)[C@H]1C[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)CCO1 ZINC000271439547 427537882 /nfs/dbraw/zinc/53/78/82/427537882.db2.gz TVLLHWZINRGNQN-BLLLJJGKSA-N -1 3 314.385 2.874 20 0 DFADHM Cc1cccc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c1[O-] ZINC000298237571 427546175 /nfs/dbraw/zinc/54/61/75/427546175.db2.gz RZRYRWWVRUDXIQ-UHFFFAOYSA-N -1 3 324.380 2.604 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@H]3CCC(C)(C)O3)ccc2[n-]1 ZINC000332217238 427547632 /nfs/dbraw/zinc/54/76/32/427547632.db2.gz ZMXHZFHZHDGNES-GFCCVEGCSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@H]3CCC(C)(C)O3)cc2[n-]1 ZINC000332217238 427547639 /nfs/dbraw/zinc/54/76/39/427547639.db2.gz ZMXHZFHZHDGNES-GFCCVEGCSA-N -1 3 317.389 2.649 20 0 DFADHM COc1ccccc1[C@H](O)CNCc1c(F)ccc([O-])c1F ZINC000294108790 427549384 /nfs/dbraw/zinc/54/93/84/427549384.db2.gz FRGHQFZMLQYBMN-CQSZACIVSA-N -1 3 309.312 2.502 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1sccc1F)c1ccncc1 ZINC000338911782 427551479 /nfs/dbraw/zinc/55/14/79/427551479.db2.gz NEHGFMITMCBBDV-LLVKDONJSA-N -1 3 300.380 2.712 20 0 DFADHM Cc1cccc(-c2nc(CC(=O)Nc3ccccc3)no2)c1[O-] ZINC000184849012 427552446 /nfs/dbraw/zinc/55/24/46/427552446.db2.gz WOQREDXMMUGANM-UHFFFAOYSA-N -1 3 309.325 2.932 20 0 DFADHM CCCOc1c(CN2CC[C@@H](C(=O)[O-])C2)cccc1OCC ZINC000263438547 427489161 /nfs/dbraw/zinc/48/91/61/427489161.db2.gz VKKKOLUYAHORAK-CQSZACIVSA-N -1 3 307.390 2.781 20 0 DFADHM Cn1cc(NC(=O)[N-]c2cnns2)c(C2CCCCC2)n1 ZINC000297939687 427489939 /nfs/dbraw/zinc/48/99/39/427489939.db2.gz WDXAUHVLTGBRBA-UHFFFAOYSA-N -1 3 306.395 2.963 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)cc1[O-] ZINC000332442046 427612055 /nfs/dbraw/zinc/61/20/55/427612055.db2.gz KFEZHZDFCTYPFQ-JKSUJKDBSA-N -1 3 319.401 2.917 20 0 DFADHM O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc([O-])c1 ZINC000192792596 427612646 /nfs/dbraw/zinc/61/26/46/427612646.db2.gz VXDYEOIHENKVHY-UHFFFAOYSA-N -1 3 310.353 2.881 20 0 DFADHM CCOc1nc2cc(C(=O)N(C(C)C)[C@H]3CCOC3)ccc2[n-]1 ZINC000332252724 427557549 /nfs/dbraw/zinc/55/75/49/427557549.db2.gz SPBQXIWFOUROIK-ZDUSSCGKSA-N -1 3 317.389 2.601 20 0 DFADHM CCOc1nc2ccc(C(=O)N(C(C)C)[C@H]3CCOC3)cc2[n-]1 ZINC000332252724 427557557 /nfs/dbraw/zinc/55/75/57/427557557.db2.gz SPBQXIWFOUROIK-ZDUSSCGKSA-N -1 3 317.389 2.601 20 0 DFADHM COCCCON=C([O-])Nc1cc(-c2ccco2)nn1C(C)C ZINC000287265068 427563722 /nfs/dbraw/zinc/56/37/22/427563722.db2.gz SMYIMCDIDFOXGV-UHFFFAOYSA-N -1 3 322.365 2.814 20 0 DFADHM COCCCO[N-]C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000287265068 427563730 /nfs/dbraw/zinc/56/37/30/427563730.db2.gz SMYIMCDIDFOXGV-UHFFFAOYSA-N -1 3 322.365 2.814 20 0 DFADHM CCOC1(C)CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000298313895 427569460 /nfs/dbraw/zinc/56/94/60/427569460.db2.gz QIEOTAKKWIIFGK-UHFFFAOYSA-N -1 3 317.385 2.890 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc2ncsc2c1 ZINC000192595263 427570922 /nfs/dbraw/zinc/57/09/22/427570922.db2.gz HFWPPBZCVAVMSN-UHFFFAOYSA-N -1 3 311.326 2.927 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc2ncsc2c1 ZINC000192595263 427570927 /nfs/dbraw/zinc/57/09/27/427570927.db2.gz HFWPPBZCVAVMSN-UHFFFAOYSA-N -1 3 311.326 2.927 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc2ncsc2c1 ZINC000192595263 427570930 /nfs/dbraw/zinc/57/09/30/427570930.db2.gz HFWPPBZCVAVMSN-UHFFFAOYSA-N -1 3 311.326 2.927 20 0 DFADHM CCn1cc(CC(=O)Nc2nnc(SC)[n-]2)c2ccccc21 ZINC000263846454 427588503 /nfs/dbraw/zinc/58/85/03/427588503.db2.gz BDGULBNBOKQOSX-UHFFFAOYSA-N -1 3 315.402 2.682 20 0 DFADHM CCn1cc(CC(=O)Nc2nc(SC)n[n-]2)c2ccccc21 ZINC000263846454 427588510 /nfs/dbraw/zinc/58/85/10/427588510.db2.gz BDGULBNBOKQOSX-UHFFFAOYSA-N -1 3 315.402 2.682 20 0 DFADHM CCn1cc(CC(=O)Nc2n[n-]c(SC)n2)c2ccccc21 ZINC000263846454 427588517 /nfs/dbraw/zinc/58/85/17/427588517.db2.gz BDGULBNBOKQOSX-UHFFFAOYSA-N -1 3 315.402 2.682 20 0 DFADHM Cc1ccc(C(=O)Nc2cc([C@H]3CCCO3)nn2C)c([O-])c1 ZINC000279193467 427592413 /nfs/dbraw/zinc/59/24/13/427592413.db2.gz UORAWYHNWOTYIT-CQSZACIVSA-N -1 3 301.346 2.538 20 0 DFADHM C[C@H](O)CCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000279205661 427594625 /nfs/dbraw/zinc/59/46/25/427594625.db2.gz VYVMJWZRDDSVKR-AWEZNQCLSA-N -1 3 313.397 2.874 20 0 DFADHM COc1ccc([C@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1OC ZINC000192729173 427596125 /nfs/dbraw/zinc/59/61/25/427596125.db2.gz KRIOPXAXDPGQRV-NWDGAFQWSA-N -1 3 317.389 2.920 20 0 DFADHM CC(C)O[N-]C(=O)CCOc1cccc(Br)c1 ZINC000294249841 427597273 /nfs/dbraw/zinc/59/72/73/427597273.db2.gz WNVDZIBVRHRPQU-UHFFFAOYSA-N -1 3 302.168 2.674 20 0 DFADHM CC(C)[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)CCCO1 ZINC000294265983 427603503 /nfs/dbraw/zinc/60/35/03/427603503.db2.gz GFVNZVAXMPRDOH-INIZCTEOSA-N -1 3 314.385 2.828 20 0 DFADHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000263917611 427609509 /nfs/dbraw/zinc/60/95/09/427609509.db2.gz PQBBCPINOGRYHK-YPMHNXCESA-N -1 3 322.430 2.587 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000185277868 427627281 /nfs/dbraw/zinc/62/72/81/427627281.db2.gz PWZFUOLROPJKLS-NWDGAFQWSA-N -1 3 322.286 2.850 20 0 DFADHM CC(C)c1nc(CSc2nc3n[nH]cc3c(=O)[n-]2)cs1 ZINC000193103215 427665439 /nfs/dbraw/zinc/66/54/39/427665439.db2.gz BRKGHJWTMVAUSY-UHFFFAOYSA-N -1 3 307.404 2.518 20 0 DFADHM CCOC1(C[N-]S(=O)(=O)c2ccc(C)cc2F)CCCC1 ZINC000339029325 427635589 /nfs/dbraw/zinc/63/55/89/427635589.db2.gz MWCMUOXQQZMKFW-UHFFFAOYSA-N -1 3 315.410 2.762 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]CC[C@@H](C)F)c1Br ZINC000339032305 427637483 /nfs/dbraw/zinc/63/74/83/427637483.db2.gz HCIYVSZZKKIGGB-SECBINFHSA-N -1 3 324.215 2.784 20 0 DFADHM C[C@H]1CCC[C@]1(O)C[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000294374588 427639495 /nfs/dbraw/zinc/63/94/95/427639495.db2.gz 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CCc1noc(C)c1C(=O)[N-]c1cc2c(cc1F)nc[nH]c2=O ZINC000341827358 428220074 /nfs/dbraw/zinc/22/00/74/428220074.db2.gz VALLNLCVHCZPPD-UHFFFAOYSA-N -1 3 316.292 2.586 20 0 DFADHM CCn1c(=O)[n-]nc1SCC(=O)c1cc(C)c(F)c(C)c1 ZINC000356539962 428224499 /nfs/dbraw/zinc/22/44/99/428224499.db2.gz YJFAUANMMDMBSF-UHFFFAOYSA-N -1 3 309.366 2.735 20 0 DFADHM CSc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c([O-])c1 ZINC000370499919 428225213 /nfs/dbraw/zinc/22/52/13/428225213.db2.gz OWSVTGYUXZKZOM-CVEARBPZSA-N -1 3 315.394 2.502 20 0 DFADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000360283142 428236310 /nfs/dbraw/zinc/23/63/10/428236310.db2.gz MXLNMMUWWDXXDW-RKDXNWHRSA-N -1 3 324.331 2.607 20 0 DFADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000360283142 428236314 /nfs/dbraw/zinc/23/63/14/428236314.db2.gz MXLNMMUWWDXXDW-RKDXNWHRSA-N -1 3 324.331 2.607 20 0 DFADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000360283142 428236320 /nfs/dbraw/zinc/23/63/20/428236320.db2.gz 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428195562 /nfs/dbraw/zinc/19/55/62/428195562.db2.gz CXWVPUHOAYQWIN-WAYWQWQTSA-N -1 3 317.370 2.863 20 0 DFADHM COc1nnc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)[n-]1 ZINC000352677148 428198788 /nfs/dbraw/zinc/19/87/88/428198788.db2.gz BRCSKFGNCIAPDD-UHFFFAOYSA-N -1 3 306.325 2.637 20 0 DFADHM COc1nc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)n[n-]1 ZINC000352677148 428198793 /nfs/dbraw/zinc/19/87/93/428198793.db2.gz BRCSKFGNCIAPDD-UHFFFAOYSA-N -1 3 306.325 2.637 20 0 DFADHM COc1n[n-]c(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000352677148 428198799 /nfs/dbraw/zinc/19/87/99/428198799.db2.gz BRCSKFGNCIAPDD-UHFFFAOYSA-N -1 3 306.325 2.637 20 0 DFADHM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1ccc(C(F)(F)F)s1 ZINC000360205183 428203157 /nfs/dbraw/zinc/20/31/57/428203157.db2.gz RVHPAOWGFDYTOO-RQJHMYQMSA-N -1 3 317.329 2.936 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CC[C@H](F)C3)c[n-]c12 ZINC000360358059 428265108 /nfs/dbraw/zinc/26/51/08/428265108.db2.gz DTFDLNPYQOIZIE-ONGXEEELSA-N -1 3 306.312 2.596 20 0 DFADHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1Cl)C(F)(F)F ZINC000356685475 428273994 /nfs/dbraw/zinc/27/39/94/428273994.db2.gz WMYPRANZIHOHAQ-ZETCQYMHSA-N -1 3 301.717 2.817 20 0 DFADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000356706467 428278751 /nfs/dbraw/zinc/27/87/51/428278751.db2.gz FAJLIOBVDWXDNL-ZETCQYMHSA-N -1 3 301.717 2.817 20 0 DFADHM CCN1CCc2c(cccc2NC(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000370733908 428285570 /nfs/dbraw/zinc/28/55/70/428285570.db2.gz SROMKWPFPDVOGK-UHFFFAOYSA-N -1 3 318.417 2.894 20 0 DFADHM Cc1cc2n[nH]cc2cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000360416715 428289759 /nfs/dbraw/zinc/28/97/59/428289759.db2.gz LNWLQOUIFIYUGC-UHFFFAOYSA-N -1 3 318.336 2.965 20 0 DFADHM Cc1cc2n[nH]cc2cc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000360416715 428289763 /nfs/dbraw/zinc/28/97/63/428289763.db2.gz LNWLQOUIFIYUGC-UHFFFAOYSA-N -1 3 318.336 2.965 20 0 DFADHM CC[C@H]1CN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)CCS1 ZINC000342072622 428290818 /nfs/dbraw/zinc/29/08/18/428290818.db2.gz IEGZNFHYOFHHNE-LBPRGKRZSA-N -1 3 316.426 2.804 20 0 DFADHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000360431006 428293547 /nfs/dbraw/zinc/29/35/47/428293547.db2.gz SELPHBNGDBUQRW-DZGCQCFKSA-N -1 3 323.439 2.765 20 0 DFADHM Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000341880831 428242514 /nfs/dbraw/zinc/24/25/14/428242514.db2.gz GJBGJQGGKIJKLZ-ZETCQYMHSA-N -1 3 301.717 2.878 20 0 DFADHM CC[C@H](C)CS(=O)(=O)[N-][C@@H]1COc2cccc(Cl)c21 ZINC000341898102 428242972 /nfs/dbraw/zinc/24/29/72/428242972.db2.gz MWFKSEPPWWVKHW-GXSJLCMTSA-N -1 3 303.811 2.739 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)c1cncc(F)c1 ZINC000356621754 428257947 /nfs/dbraw/zinc/25/79/47/428257947.db2.gz MUPZYQKCCLOORZ-SNVBAGLBSA-N -1 3 312.341 2.708 20 0 DFADHM COC(=O)c1ccsc1[N-]C(=O)c1noc2c1CCCC2 ZINC000352813569 428260532 /nfs/dbraw/zinc/26/05/32/428260532.db2.gz DMUMSWHQOBZPNW-UHFFFAOYSA-N -1 3 306.343 2.654 20 0 DFADHM Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000414478131 428310083 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CC[C@@H]1CCCC[C@H]1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000356859697 428338904 /nfs/dbraw/zinc/33/89/04/428338904.db2.gz CLLGWEJHHUHLQW-RKDXNWHRSA-N -1 3 304.316 2.656 20 0 DFADHM CC[C@@H]1CCCC[C@H]1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000356859697 428338910 /nfs/dbraw/zinc/33/89/10/428338910.db2.gz CLLGWEJHHUHLQW-RKDXNWHRSA-N -1 3 304.316 2.656 20 0 DFADHM CC[C@@H]1CCCC[C@H]1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000356859697 428338917 /nfs/dbraw/zinc/33/89/17/428338917.db2.gz CLLGWEJHHUHLQW-RKDXNWHRSA-N -1 3 304.316 2.656 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000342188987 428342278 /nfs/dbraw/zinc/34/22/78/428342278.db2.gz UBKZNVFULFXWGK-UHFFFAOYSA-N -1 3 322.411 2.717 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)Nc3ccnn3C(C)C)c(=O)c2c1 ZINC000346867366 428352756 /nfs/dbraw/zinc/35/27/56/428352756.db2.gz QSIJRHNYTYPQNK-UHFFFAOYSA-N -1 3 310.357 2.866 20 0 DFADHM CC(C)[C@@](C)(CO)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000352893835 428302430 /nfs/dbraw/zinc/30/24/30/428302430.db2.gz PZAWMNPLZLBMRH-QGZVFWFLSA-N -1 3 315.373 2.578 20 0 DFADHM COc1ccc(C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)c([O-])c1 ZINC000378401069 428388583 /nfs/dbraw/zinc/38/85/83/428388583.db2.gz ULPYNSGLGOIZBT-KBPBESRZSA-N -1 3 319.401 2.680 20 0 DFADHM CSc1nnc(NC(=O)CCc2cc(Cl)cs2)[n-]1 ZINC000346972719 428390276 /nfs/dbraw/zinc/39/02/76/428390276.db2.gz URVOSNJQSGDNAJ-UHFFFAOYSA-N -1 3 302.812 2.813 20 0 DFADHM CSc1n[n-]c(NC(=O)CCc2cc(Cl)cs2)n1 ZINC000346972719 428390282 /nfs/dbraw/zinc/39/02/82/428390282.db2.gz URVOSNJQSGDNAJ-UHFFFAOYSA-N -1 3 302.812 2.813 20 0 DFADHM CSc1nc(NC(=O)CCc2cc(Cl)cs2)n[n-]1 ZINC000346972719 428390288 /nfs/dbraw/zinc/39/02/88/428390288.db2.gz URVOSNJQSGDNAJ-UHFFFAOYSA-N -1 3 302.812 2.813 20 0 DFADHM CCC1CCC(c2noc(C(C)(C)[N-]S(C)(=O)=O)n2)CC1 ZINC000357113797 428394325 /nfs/dbraw/zinc/39/43/25/428394325.db2.gz AQBRLRMRPFIILB-UHFFFAOYSA-N -1 3 315.439 2.538 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000360674478 428396468 /nfs/dbraw/zinc/39/64/68/428396468.db2.gz UBTMGXRTFWBUQR-WENXUGBFSA-N -1 3 324.380 2.694 20 0 DFADHM COC(=O)c1ccc(F)c([N-]C(=O)c2nc3c(s2)CCC3)c1 ZINC000414788729 428409483 /nfs/dbraw/zinc/40/94/83/428409483.db2.gz NVGVCESJFMBNHB-UHFFFAOYSA-N -1 3 320.345 2.810 20 0 DFADHM CCc1nnc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)s1 ZINC000347029373 428412568 /nfs/dbraw/zinc/41/25/68/428412568.db2.gz VWLLVWOPTUVLLJ-UHFFFAOYSA-N -1 3 314.370 2.503 20 0 DFADHM O=S(=O)([N-]CCC1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000360579470 428356931 /nfs/dbraw/zinc/35/69/31/428356931.db2.gz CAEBWJPQNPGHOW-UHFFFAOYSA-N -1 3 307.337 2.963 20 0 DFADHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000360586343 428358125 /nfs/dbraw/zinc/35/81/25/428358125.db2.gz WSBZJZIRAKLQRI-DTWKUNHWSA-N -1 3 307.337 2.961 20 0 DFADHM CC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000414635954 428361064 /nfs/dbraw/zinc/36/10/64/428361064.db2.gz JEVSLLOXMAHLJZ-OAHLLOKOSA-N -1 3 301.390 2.976 20 0 DFADHM COCCN(Cc1cccc(C(=O)[O-])c1)[C@@H]1CCCSC1 ZINC000414641915 428363931 /nfs/dbraw/zinc/36/39/31/428363931.db2.gz UXKOOSYDKVKFTN-OAHLLOKOSA-N -1 3 309.431 2.729 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@H]2CCCO2)sc1Cl ZINC000353044729 428366060 /nfs/dbraw/zinc/36/60/60/428366060.db2.gz UJUNJNMZQJIOFV-NXEZZACHSA-N -1 3 323.867 2.946 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)[C@](C)(O)C2CCOCC2)c([O-])c1 ZINC000353043668 428366753 /nfs/dbraw/zinc/36/67/53/428366753.db2.gz CIRIZKDNTCPOGA-GOSISDBHSA-N -1 3 321.417 2.806 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@@H]2CCCO2)sc1Cl ZINC000353044730 428366947 /nfs/dbraw/zinc/36/69/47/428366947.db2.gz UJUNJNMZQJIOFV-UWVGGRQHSA-N -1 3 323.867 2.946 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](O)C12CCCC2 ZINC000353050729 428370311 /nfs/dbraw/zinc/37/03/11/428370311.db2.gz VTBGJMKTDJCTBG-MRXNPFEDSA-N -1 3 321.392 2.760 20 0 DFADHM COc1ccc(CNCC(C)(C)C(=O)[O-])c(Br)c1 ZINC000414671524 428371183 /nfs/dbraw/zinc/37/11/83/428371183.db2.gz 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C[C@H](CC(C)(C)C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000357364567 428502237 /nfs/dbraw/zinc/50/22/37/428502237.db2.gz NNALFVJGVKSCJA-LLVKDONJSA-N -1 3 301.394 2.801 20 0 DFADHM C[C@H](CC(C)(C)C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000357364567 428502241 /nfs/dbraw/zinc/50/22/41/428502241.db2.gz NNALFVJGVKSCJA-LLVKDONJSA-N -1 3 301.394 2.801 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CC(F)(F)F)ccc1C(F)(F)F ZINC000357367556 428502569 /nfs/dbraw/zinc/50/25/69/428502569.db2.gz GJUDATYZWVOKHU-UHFFFAOYSA-N -1 3 321.242 2.854 20 0 DFADHM CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1cccc([O-])c1 ZINC000357372790 428504402 /nfs/dbraw/zinc/50/44/02/428504402.db2.gz LDKSATUHUDDQIU-GFCCVEGCSA-N -1 3 307.390 2.975 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@H](COC(F)F)C1 ZINC000343011893 428508101 /nfs/dbraw/zinc/50/81/01/428508101.db2.gz ORCCTUARDBDJSK-VIFPVBQESA-N -1 3 319.735 2.676 20 0 DFADHM C[C@H]1CC[C@H](CNCc2cccc([O-])c2Br)O1 ZINC000398077771 428520379 /nfs/dbraw/zinc/52/03/79/428520379.db2.gz JDAWOECZXHYBKN-GXSJLCMTSA-N 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CC1(C)CCCC[C@@H]1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361510915 428573112 /nfs/dbraw/zinc/57/31/12/428573112.db2.gz MRVZOFZODOKKKM-QMMMGPOBSA-N -1 3 319.331 2.592 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000373439329 428577372 /nfs/dbraw/zinc/57/73/72/428577372.db2.gz IIMOGJJTZVHRAA-ZDUSSCGKSA-N -1 3 302.399 2.944 20 0 DFADHM Cc1cc(C)c2c(c1)[C@H](NC(=O)c1csc(=O)[n-]1)CCO2 ZINC000373443487 428579927 /nfs/dbraw/zinc/57/99/27/428579927.db2.gz NTSCLESNAOJLID-LLVKDONJSA-N -1 3 304.371 2.719 20 0 DFADHM CC(C)c1ccc([C@H]2CCCCN2Cc2nc(=O)n(C)[n-]2)cc1 ZINC000347527592 428596805 /nfs/dbraw/zinc/59/68/05/428596805.db2.gz DZPHDGMLNKCPFY-MRXNPFEDSA-N -1 3 314.433 2.959 20 0 DFADHM CS[C@@H](C[N-]S(=O)(=O)c1cn(C(C)C)cn1)C(C)(C)C ZINC000343968818 428597683 /nfs/dbraw/zinc/59/76/83/428597683.db2.gz GXTQXRMVOYJIBQ-NSHDSACASA-N -1 3 319.496 2.520 20 0 DFADHM CS[C@H](C[N-]S(=O)(=O)c1cn(C(C)C)cn1)C(C)(C)C ZINC000343968816 428598602 /nfs/dbraw/zinc/59/86/02/428598602.db2.gz 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ZINC000375183349 428818502 /nfs/dbraw/zinc/81/85/02/428818502.db2.gz VSNKQZQPEYRYOR-HOCLYGCPSA-N -1 3 319.368 2.999 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@H]2CC[C@H](C)C2)n[n-]1 ZINC000345266319 428823444 /nfs/dbraw/zinc/82/34/44/428823444.db2.gz NJPAWYSYWBOSPO-QWRGUYRKSA-N -1 3 300.362 2.855 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)c([O-])c1 ZINC000375232810 428830013 /nfs/dbraw/zinc/83/00/13/428830013.db2.gz HASJSJXEOFHKJI-ZIAGYGMSSA-N -1 3 311.385 2.807 20 0 DFADHM COc1cccc2c(C(=O)N3CCc4cccc(F)c43)[n-]nc21 ZINC000345290129 428832579 /nfs/dbraw/zinc/83/25/79/428832579.db2.gz XPXCCDAIFSEFFW-UHFFFAOYSA-N -1 3 311.316 2.914 20 0 DFADHM COc1cccc2c(C(=O)N3CCc4cccc(F)c43)n[n-]c21 ZINC000345290129 428832582 /nfs/dbraw/zinc/83/25/82/428832582.db2.gz XPXCCDAIFSEFFW-UHFFFAOYSA-N -1 3 311.316 2.914 20 0 DFADHM CCc1cc(C(=O)N[C@@H](c2nccc(C)n2)C2CC2)ccc1[O-] ZINC000362991968 428836557 /nfs/dbraw/zinc/83/65/57/428836557.db2.gz DTGZWLFWYDPMCO-MRXNPFEDSA-N -1 3 311.385 2.934 20 0 DFADHM 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CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000375970976 429029998 /nfs/dbraw/zinc/02/99/98/429029998.db2.gz XRLRIPQTXJBFDJ-SJORKVTESA-N -1 3 306.381 2.507 20 0 DFADHM CCN(C(=O)c1c[n-]c2cc(OC)ccc2c1=O)C1CCCC1 ZINC000412186160 428975757 /nfs/dbraw/zinc/97/57/57/428975757.db2.gz RSFYCMJUTUOYRN-UHFFFAOYSA-N -1 3 314.385 2.941 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000451819003 428985113 /nfs/dbraw/zinc/98/51/13/428985113.db2.gz RVPVNBRDRSPRFN-OLZOCXBDSA-N -1 3 317.476 2.786 20 0 DFADHM Cc1cc(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1 ZINC000451820516 428987169 /nfs/dbraw/zinc/98/71/69/428987169.db2.gz DOBGOVFZSQLKNF-JTQLQIEISA-N -1 3 307.337 2.848 20 0 DFADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000451826429 428988358 /nfs/dbraw/zinc/98/83/58/428988358.db2.gz PFQLBEUAINZLJR-ZJUUUORDSA-N -1 3 303.811 2.673 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000375829500 428990564 /nfs/dbraw/zinc/99/05/64/428990564.db2.gz 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429008420 /nfs/dbraw/zinc/00/84/20/429008420.db2.gz LMMVPEAWDMBYES-RYUDHWBXSA-N -1 3 314.385 2.797 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2cn(C)nc2C(C)C)cc1[O-] ZINC000412303461 429008970 /nfs/dbraw/zinc/00/89/70/429008970.db2.gz FYHDXWAIIPLDCA-UHFFFAOYSA-N -1 3 301.346 2.704 20 0 DFADHM NC(=O)C[C@@H](NCc1cc([O-])cc(F)c1)c1cccc(Cl)c1 ZINC000349604151 429014180 /nfs/dbraw/zinc/01/41/80/429014180.db2.gz YWCVDUIUVUVMQA-OAHLLOKOSA-N -1 3 322.767 2.891 20 0 DFADHM O=S(=O)(Cc1cccc(-n2cccn2)c1)c1cccc([O-])c1 ZINC000376296799 429091300 /nfs/dbraw/zinc/09/13/00/429091300.db2.gz SVBYZXLQQAILOG-UHFFFAOYSA-N -1 3 314.366 2.552 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3c3ncc[nH]3)c[n-]c12 ZINC000376326109 429095236 /nfs/dbraw/zinc/09/52/36/429095236.db2.gz WKTKLJMABWWSRN-CQSZACIVSA-N -1 3 322.368 2.537 20 0 DFADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CC1)c1cc(F)ccc1Cl ZINC000452045810 429041829 /nfs/dbraw/zinc/04/18/29/429041829.db2.gz JBQIPYCIFGPNQR-ONGXEEELSA-N -1 3 303.786 2.804 20 0 DFADHM COC(=O)C12CCC(C(=O)Nc3cccc([O-])c3F)(CC1)C2 ZINC000376090809 429054610 /nfs/dbraw/zinc/05/46/10/429054610.db2.gz AEFJBEURUOGIBL-UHFFFAOYSA-N -1 3 307.321 2.593 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H]3CS[C@@H](C)C3)ccc2[n-]1 ZINC000412623377 429072265 /nfs/dbraw/zinc/07/22/65/429072265.db2.gz XMNVZJPIKWOXFR-ONGXEEELSA-N -1 3 305.403 2.585 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H]3CS[C@@H](C)C3)cc2[n-]1 ZINC000412623377 429072269 /nfs/dbraw/zinc/07/22/69/429072269.db2.gz XMNVZJPIKWOXFR-ONGXEEELSA-N -1 3 305.403 2.585 20 0 DFADHM CC(C)(CNC(=O)Cc1ccc([O-])cc1Cl)OCC1CC1 ZINC000412623222 429072362 /nfs/dbraw/zinc/07/23/62/429072362.db2.gz UFDGBJUZQUMLRH-UHFFFAOYSA-N -1 3 311.809 2.910 20 0 DFADHM C[C@@H]1C[C@H](CNC(=O)c2cc3c(cc2[O-])CCCC3)[C@H](C)O1 ZINC000412686782 429082742 /nfs/dbraw/zinc/08/27/42/429082742.db2.gz NHZDVHIZZLOSGU-TYNCELHUSA-N -1 3 303.402 2.814 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCC[C@@](C)(F)C3)ccc2[n-]1 ZINC000452205042 429084307 /nfs/dbraw/zinc/08/43/07/429084307.db2.gz IMBNBVBFNATXEQ-MRXNPFEDSA-N -1 3 305.353 2.926 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCC[C@@](C)(F)C3)cc2[n-]1 ZINC000452205042 429084311 /nfs/dbraw/zinc/08/43/11/429084311.db2.gz IMBNBVBFNATXEQ-MRXNPFEDSA-N -1 3 305.353 2.926 20 0 DFADHM CC(C)Oc1cccc([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424071568 429087550 /nfs/dbraw/zinc/08/75/50/429087550.db2.gz UWCLYMDSTONAIJ-UHFFFAOYSA-N -1 3 313.419 2.642 20 0 DFADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[N-]C(=O)C(F)(F)F ZINC000494695462 429145578 /nfs/dbraw/zinc/14/55/78/429145578.db2.gz WQPAPLUITLKYJO-JTQLQIEISA-N -1 3 324.343 2.845 20 0 DFADHM CCc1ccc([O-])c(C(=O)N(CCO)CC2CCCCC2)c1 ZINC000487295880 429147698 /nfs/dbraw/zinc/14/76/98/429147698.db2.gz HXSFMRKVDUCTBZ-UHFFFAOYSA-N -1 3 305.418 2.969 20 0 DFADHM CSc1nnc(NC(=O)Cc2ccc(F)cc2Cl)[n-]1 ZINC000487337996 429149632 /nfs/dbraw/zinc/14/96/32/429149632.db2.gz RQJXXNPETGBIIC-UHFFFAOYSA-N -1 3 300.746 2.500 20 0 DFADHM CSc1n[n-]c(NC(=O)Cc2ccc(F)cc2Cl)n1 ZINC000487337996 429149638 /nfs/dbraw/zinc/14/96/38/429149638.db2.gz RQJXXNPETGBIIC-UHFFFAOYSA-N -1 3 300.746 2.500 20 0 DFADHM CSc1nc(NC(=O)Cc2ccc(F)cc2Cl)n[n-]1 ZINC000487337996 429149641 /nfs/dbraw/zinc/14/96/41/429149641.db2.gz RQJXXNPETGBIIC-UHFFFAOYSA-N -1 3 300.746 2.500 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000435599528 429151428 /nfs/dbraw/zinc/15/14/28/429151428.db2.gz USFGXIMLFFDKGN-GZMMTYOYSA-N -1 3 317.288 2.531 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]Cc1cscc1C ZINC000487380346 429151665 /nfs/dbraw/zinc/15/16/65/429151665.db2.gz QOMBQYAVMBNZAN-UHFFFAOYSA-N -1 3 303.430 2.605 20 0 DFADHM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1CCCc2cn[nH]c21 ZINC000376379140 429103311 /nfs/dbraw/zinc/10/33/11/429103311.db2.gz WMZKNKQLMOTNSJ-MRVPVSSYSA-N -1 3 309.728 2.966 20 0 DFADHM Cc1cccc2nc(CN3CCCC[C@@H]3CCC(=O)[O-])cn21 ZINC000424256299 429114654 /nfs/dbraw/zinc/11/46/54/429114654.db2.gz JDDZFCFBGIWWNP-OAHLLOKOSA-N -1 3 301.390 2.862 20 0 DFADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424258368 429116749 /nfs/dbraw/zinc/11/67/49/429116749.db2.gz LVJKHGWZKSNWRN-BZUAXINKSA-N -1 3 324.465 2.743 20 0 DFADHM C[C@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)[C@H]1C(=O)[O-] ZINC000424272360 429117997 /nfs/dbraw/zinc/11/79/97/429117997.db2.gz QMTHEYAGNRLSPE-JOYOIKCWSA-N -1 3 302.296 2.786 20 0 DFADHM COCCCn1c(=O)[n-]nc1SCc1ccc(C)cc1C ZINC000412983384 429119023 /nfs/dbraw/zinc/11/90/23/429119023.db2.gz NINABECPABXYPI-UHFFFAOYSA-N -1 3 307.419 2.929 20 0 DFADHM CC[C@H]1CCC[C@@H]1CNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000452521759 429123904 /nfs/dbraw/zinc/12/39/04/429123904.db2.gz TVDOJEGFCYGHIZ-UONOGXRCSA-N -1 3 305.422 2.674 20 0 DFADHM CSCCCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000376519703 429128904 /nfs/dbraw/zinc/12/89/04/429128904.db2.gz RWBIFNXUENIZSF-UHFFFAOYSA-N -1 3 312.345 2.832 20 0 DFADHM CSCCCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000376519703 429128908 /nfs/dbraw/zinc/12/89/08/429128908.db2.gz RWBIFNXUENIZSF-UHFFFAOYSA-N -1 3 312.345 2.832 20 0 DFADHM CSCCCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000376519703 429128912 /nfs/dbraw/zinc/12/89/12/429128912.db2.gz RWBIFNXUENIZSF-UHFFFAOYSA-N -1 3 312.345 2.832 20 0 DFADHM C[C@@]12CN(C(=O)c3c[n-]c4ccccc4c3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452590446 429131113 /nfs/dbraw/zinc/13/11/13/429131113.db2.gz AMWDXTURTFCCGG-MEGQDDJESA-N -1 3 320.392 2.812 20 0 DFADHM C[C@@H]1[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000435400755 429139118 /nfs/dbraw/zinc/13/91/18/429139118.db2.gz HIPFFFGJRCKDEC-XZJROXQQSA-N -1 3 319.368 2.855 20 0 DFADHM C[C@@H]1[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000435400755 429139125 /nfs/dbraw/zinc/13/91/25/429139125.db2.gz HIPFFFGJRCKDEC-XZJROXQQSA-N -1 3 319.368 2.855 20 0 DFADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1cn[nH]c1 ZINC000494690437 429142059 /nfs/dbraw/zinc/14/20/59/429142059.db2.gz NUZQPTNRLKRWON-SECBINFHSA-N -1 3 309.329 2.656 20 0 DFADHM CCc1cc(C(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)ccc1[O-] ZINC000488577138 429185434 /nfs/dbraw/zinc/18/54/34/429185434.db2.gz LEIFZIPEEGFBGI-UHFFFAOYSA-N -1 3 311.341 2.799 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC000495502014 429214516 /nfs/dbraw/zinc/21/45/16/429214516.db2.gz HTEKXSDTYQNCNF-GFCCVEGCSA-N -1 3 306.362 2.649 20 0 DFADHM COc1cccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)c1[O-] ZINC000439339746 429216917 /nfs/dbraw/zinc/21/69/17/429216917.db2.gz HMAYSHPFIXAKFH-UHFFFAOYSA-N -1 3 315.373 3.424 20 0 DFADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](n2ccnn2)C1 ZINC000424996932 429218210 /nfs/dbraw/zinc/21/82/10/429218210.db2.gz BJVMJHKGAHGQOC-HNNXBMFYSA-N -1 3 322.368 2.614 20 0 DFADHM O=C(c1cccc([O-])c1)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425114370 429235111 /nfs/dbraw/zinc/23/51/11/429235111.db2.gz AXPJIPQESTWHHE-MRXNPFEDSA-N -1 3 301.386 2.814 20 0 DFADHM C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c([O-])cccc1Cl ZINC000495626062 429235476 /nfs/dbraw/zinc/23/54/76/429235476.db2.gz NTMZWPOBRJACHJ-MRVPVSSYSA-N -1 3 314.769 2.897 20 0 DFADHM CCCCOCCS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000490454432 429288394 /nfs/dbraw/zinc/28/83/94/429288394.db2.gz QQGDOYFKGUKMOR-UHFFFAOYSA-N -1 3 322.430 2.976 20 0 DFADHM CCCCOCCS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000490454432 429288397 /nfs/dbraw/zinc/28/83/97/429288397.db2.gz QQGDOYFKGUKMOR-UHFFFAOYSA-N -1 3 322.430 2.976 20 0 DFADHM CCc1cc(C(=O)N[C@H](C(C)C)[C@@H](CO)C(C)C)ccc1[O-] ZINC000456148792 429249006 /nfs/dbraw/zinc/24/90/06/429249006.db2.gz MOVAQMZNNDRHEM-DOTOQJQBSA-N -1 3 307.434 2.974 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456277720 429268615 /nfs/dbraw/zinc/26/86/15/429268615.db2.gz HSNPQIPEXCCQIE-WBVHZDCISA-N -1 3 308.381 2.789 20 0 DFADHM COc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000456518139 429318307 /nfs/dbraw/zinc/31/83/07/429318307.db2.gz WXKZNFJOJYGUTM-JKSUJKDBSA-N -1 3 313.353 2.695 20 0 DFADHM Cc1cccc(C)c1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000365504071 429330576 /nfs/dbraw/zinc/33/05/76/429330576.db2.gz VOCXEGKQXMLISZ-UHFFFAOYSA-N -1 3 322.372 2.534 20 0 DFADHM Cc1cccc(C)c1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000365504071 429330580 /nfs/dbraw/zinc/33/05/80/429330580.db2.gz VOCXEGKQXMLISZ-UHFFFAOYSA-N -1 3 322.372 2.534 20 0 DFADHM CC(C)(C)n1ncnc1[N-]C(=O)c1ccc(Br)o1 ZINC000282969116 275546458 /nfs/dbraw/zinc/54/64/58/275546458.db2.gz ILEASXZJJGYDPA-UHFFFAOYSA-N -1 3 313.155 2.641 20 0 DFADHM O=C(NC[C@@H]1C[C@@]12CCCc1ccccc12)c1csc(=O)[n-]1 ZINC000365559773 429342516 /nfs/dbraw/zinc/34/25/16/429342516.db2.gz JGCCVKQQLWOITJ-SJCJKPOMSA-N -1 3 314.410 2.873 20 0 DFADHM Cc1cccc(-c2nc(CNC(=O)OC(C)(C)C)no2)c1[O-] ZINC000495908262 429289761 /nfs/dbraw/zinc/28/97/61/429289761.db2.gz CXOKJQCHMMSKAA-UHFFFAOYSA-N -1 3 305.334 2.775 20 0 DFADHM COC(=O)C12CCC(C(=O)Nc3ccc(C)cc3[O-])(CC1)C2 ZINC000365267970 429291559 /nfs/dbraw/zinc/29/15/59/429291559.db2.gz RRXWHYVCKWZSSW-UHFFFAOYSA-N -1 3 303.358 2.763 20 0 DFADHM CCN(C(=O)c1csc(=O)[n-]1)[C@@H]1CCCc2cccnc21 ZINC000365320077 429300326 /nfs/dbraw/zinc/30/03/26/429300326.db2.gz RGBNSUANUFWXCE-GFCCVEGCSA-N -1 3 303.387 2.783 20 0 DFADHM C[C@@H](CCC(=O)[N-]OC1CCCC1)NC(=O)OC(C)(C)C ZINC000495960877 429300960 /nfs/dbraw/zinc/30/09/60/429300960.db2.gz OUSPSXROTXQHMT-NSHDSACASA-N -1 3 300.399 2.670 20 0 DFADHM CC(C)N1CC[C@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000457078012 429392634 /nfs/dbraw/zinc/39/26/34/429392634.db2.gz AGVULCJMFSEJKN-NSHDSACASA-N -1 3 314.788 2.739 20 0 DFADHM COCCN(Cc1scnc1C)Cc1nc(C)ccc1[O-] ZINC000426540931 429399163 /nfs/dbraw/zinc/39/91/63/429399163.db2.gz AKMMMXVBSYEKEQ-UHFFFAOYSA-N -1 3 307.419 2.509 20 0 DFADHM O=C([O-])[C@H](CNCc1ccccc1F)Oc1ccc(F)cc1 ZINC000426650840 429405824 /nfs/dbraw/zinc/40/58/24/429405824.db2.gz HFYZZHAMTSXQEM-HNNXBMFYSA-N -1 3 307.296 2.587 20 0 DFADHM CCc1cc(C(=O)NC[C@@H](CO)C2CCCCC2)ccc1[O-] ZINC000509758620 429356892 /nfs/dbraw/zinc/35/68/92/429356892.db2.gz LVFFLQLJRBXTOT-INIZCTEOSA-N -1 3 305.418 2.873 20 0 DFADHM O=C([N-]c1nc(-c2cccc(O)c2)cs1)c1cnsn1 ZINC000365642777 429357400 /nfs/dbraw/zinc/35/74/00/429357400.db2.gz OEAPRYRCRUNVBD-UHFFFAOYSA-N -1 3 304.356 2.620 20 0 DFADHM C[C@H](O[N-]C(=O)C1(N(C)C)Cc2ccccc2C1)c1ccccc1 ZINC000365702155 429360205 /nfs/dbraw/zinc/36/02/05/429360205.db2.gz FFJKZECAYPYNCD-HNNXBMFYSA-N -1 3 324.424 2.895 20 0 DFADHM C[C@H](C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C)C1CC1 ZINC000365702725 429360549 /nfs/dbraw/zinc/36/05/49/429360549.db2.gz CBAOLFCPYGYMPD-VIFPVBQESA-N -1 3 304.781 2.542 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2cc3ccccc3o2)[n-]1 ZINC000491502814 429367712 /nfs/dbraw/zinc/36/77/12/429367712.db2.gz ALKWQMFXIHLHIB-SREVYHEPSA-N -1 3 300.343 2.925 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2cc3ccccc3o2)n1 ZINC000491502814 429367718 /nfs/dbraw/zinc/36/77/18/429367718.db2.gz ALKWQMFXIHLHIB-SREVYHEPSA-N -1 3 300.343 2.925 20 0 DFADHM CSc1nc(NC(=O)C=Cc2cc3ccccc3o2)n[n-]1 ZINC000491502814 429367720 /nfs/dbraw/zinc/36/77/20/429367720.db2.gz ALKWQMFXIHLHIB-SREVYHEPSA-N -1 3 300.343 2.925 20 0 DFADHM COc1ccc(-c2noc([N-]Cc3cnc(C4CC4)o3)n2)cc1 ZINC000515206540 429375212 /nfs/dbraw/zinc/37/52/12/429375212.db2.gz ZHZXPDBCRNUZTH-UHFFFAOYSA-N -1 3 312.329 3.223 20 0 DFADHM C[C@H]1C[C@@H](O)CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000457011660 429378232 /nfs/dbraw/zinc/37/82/32/429378232.db2.gz UZJGWRBQSYJNAF-XJKSGUPXSA-N -1 3 313.397 2.707 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c(=O)[n-]1 ZINC000457019819 429380210 /nfs/dbraw/zinc/38/02/10/429380210.db2.gz WZYHHKDZFRUEOJ-COPLHBTASA-N -1 3 305.422 2.673 20 0 DFADHM COC1CCC(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000427247395 429440951 /nfs/dbraw/zinc/44/09/51/429440951.db2.gz AKKLPNZHPBTMRQ-UHFFFAOYSA-N -1 3 323.867 2.885 20 0 DFADHM CON1CCC(N(C)C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000457310526 429442385 /nfs/dbraw/zinc/44/23/85/429442385.db2.gz NKCGUDMKWHBLBL-UHFFFAOYSA-N -1 3 306.406 2.613 20 0 DFADHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cc(C(=O)[O-])ccc1Cl ZINC000518990312 429443213 /nfs/dbraw/zinc/44/32/13/429443213.db2.gz 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/nfs/dbraw/zinc/45/69/47/429456947.db2.gz LPXJVJYQCLOJRA-GOSISDBHSA-N -1 3 319.401 2.501 20 0 DFADHM CCC(CC)c1cc(CNC(=O)Cc2cncc([O-])c2)on1 ZINC000519444402 429460145 /nfs/dbraw/zinc/46/01/45/429460145.db2.gz BWNIPJFWOHDJIF-UHFFFAOYSA-N -1 3 303.362 2.538 20 0 DFADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cn1 ZINC000426762138 429413501 /nfs/dbraw/zinc/41/35/01/429413501.db2.gz HPVYQEJDPCKDLY-MRXNPFEDSA-N -1 3 300.358 2.623 20 0 DFADHM O=C([O-])[C@H](CN1CCCCC1)NCc1cccc(Cl)c1F ZINC000426756665 429414293 /nfs/dbraw/zinc/41/42/93/429414293.db2.gz LTMMCYBYHRKYPR-ZDUSSCGKSA-N -1 3 314.788 2.508 20 0 DFADHM Cc1ccc(CN[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])o1 ZINC000426805956 429417786 /nfs/dbraw/zinc/41/77/86/429417786.db2.gz HIRVOWGCKOOEJC-INIZCTEOSA-N -1 3 316.332 2.994 20 0 DFADHM CC(C)(C)C1CCN(C(=O)c2c[n-]c3ccncc3c2=O)CC1 ZINC000518486738 429423279 /nfs/dbraw/zinc/42/32/79/429423279.db2.gz MDYWHKGBHFRRJX-UHFFFAOYSA-N -1 3 313.401 2.821 20 0 DFADHM CN1CCC(n2ccc([N-]c3nc4c(cccc4F)o3)n2)CC1 ZINC000518510180 429424686 /nfs/dbraw/zinc/42/46/86/429424686.db2.gz ZUYQCFZGPPMOMZ-UHFFFAOYSA-N -1 3 315.352 3.174 20 0 DFADHM [O-]c1cc(CN2CC[C@](O)(C(F)F)C2)cc(C(F)(F)F)c1 ZINC000449476950 429429274 /nfs/dbraw/zinc/42/92/74/429429274.db2.gz VZBGQFDPMHEEIT-GFCCVEGCSA-N -1 3 311.250 2.613 20 0 DFADHM CCN(C(=O)CNC(=O)c1cccc([O-])c1)[C@H]1CCCC[C@H]1C ZINC000427129104 429434178 /nfs/dbraw/zinc/43/41/78/429434178.db2.gz TYFJCBFUXLXCGI-CJNGLKHVSA-N -1 3 318.417 2.549 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)CSc1ccccc1 ZINC000427141549 429434925 /nfs/dbraw/zinc/43/49/25/429434925.db2.gz DEYNAWGUHLLMGQ-SECBINFHSA-N -1 3 319.386 2.563 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCc1cc2ccccc2o1 ZINC000427153415 429435267 /nfs/dbraw/zinc/43/52/67/429435267.db2.gz BUJZLRDEYIJMRY-UHFFFAOYSA-N -1 3 313.313 2.514 20 0 DFADHM COc1nc2ccccc2cc1CNC[C@H](C)CCC(=O)[O-] ZINC000519621130 429472120 /nfs/dbraw/zinc/47/21/20/429472120.db2.gz HPPNMAWTQLJSRA-GFCCVEGCSA-N -1 3 302.374 2.834 20 0 DFADHM C[C@@H](O)C[C@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000427919758 429478122 /nfs/dbraw/zinc/47/81/22/429478122.db2.gz ZQTYAXPRDPPEME-JGVFFNPUSA-N -1 3 313.810 2.681 20 0 DFADHM CC(C)C[C@@H](C(=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000519699607 429479328 /nfs/dbraw/zinc/47/93/28/429479328.db2.gz AOEYBJRAJUNYKE-GJZGRUSLSA-N -1 3 313.344 2.837 20 0 DFADHM O=C(/C=C/c1ccc(Br)o1)[N-]OCc1cccnc1 ZINC000492185610 429484090 /nfs/dbraw/zinc/48/40/90/429484090.db2.gz VYWKHIFQROBLJT-GQCTYLIASA-N -1 3 323.146 2.698 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@H](C)CC2CCCCC2)c(=O)[n-]1 ZINC000428063474 429488525 /nfs/dbraw/zinc/48/85/25/429488525.db2.gz TWOKBYKJZZWNIB-LLVKDONJSA-N -1 3 305.422 2.817 20 0 DFADHM C[C@H]1C[C@@H]1c1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)o1 ZINC000366719489 429499675 /nfs/dbraw/zinc/49/96/75/429499675.db2.gz MWLFREFBULESNF-UWVGGRQHSA-N -1 3 309.329 2.835 20 0 DFADHM C[C@H]1C[C@@H]1c1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)o1 ZINC000366719489 429499679 /nfs/dbraw/zinc/49/96/79/429499679.db2.gz MWLFREFBULESNF-UWVGGRQHSA-N -1 3 309.329 2.835 20 0 DFADHM CC(=O)Nc1ccc(F)c([N-]C(=O)c2ncc(F)cc2F)c1 ZINC000428281422 429508676 /nfs/dbraw/zinc/50/86/76/429508676.db2.gz LKZWKYPUTUWJOC-UHFFFAOYSA-N -1 3 309.247 2.710 20 0 DFADHM O=C1[N-]C(=O)c2cc(NCc3cc(F)cc4cccnc43)ccc21 ZINC000428341895 429511548 /nfs/dbraw/zinc/51/15/48/429511548.db2.gz QZDPXKXYJIWLNZ-UHFFFAOYSA-N -1 3 321.311 2.870 20 0 DFADHM COc1cc2c(cc1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1)O[C@@H](C)C2 ZINC000520406903 429513165 /nfs/dbraw/zinc/51/31/65/429513165.db2.gz UVCMYWCBBBALMK-HUBLWGQQSA-N -1 3 319.401 2.561 20 0 DFADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1oncc1C(=O)[O-] ZINC000520416477 429514444 /nfs/dbraw/zinc/51/44/44/429514444.db2.gz DXGGIOHUTGKQGO-JQWIXIFHSA-N -1 3 304.321 2.890 20 0 DFADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc2ccoc2c1 ZINC000520561836 429519356 /nfs/dbraw/zinc/51/93/56/429519356.db2.gz PJUYDXGHEWFGBP-UHFFFAOYSA-N -1 3 310.309 2.507 20 0 DFADHM Cc1cc(C(=O)NC2(C(=O)Nc3ccccc3)CC2)ccc1[O-] ZINC000428779418 429551511 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JCJLUGROCSBGCU-LLVKDONJSA-N -1 3 322.368 2.897 20 0 DFADHM CCCCN1CCOC[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000551994796 430576133 /nfs/dbraw/zinc/57/61/33/430576133.db2.gz AKQQFEIMRNRJCM-CQSZACIVSA-N -1 3 303.362 2.616 20 0 DFADHM Cc1cc(C)c2c(=O)[n-]c(SCc3cnc(C)nc3)nc2n1 ZINC000552006327 430578405 /nfs/dbraw/zinc/57/84/05/430578405.db2.gz VLHHAUMUFHDAQS-UHFFFAOYSA-N -1 3 313.386 2.738 20 0 DFADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@H]1CCCc2sccc21 ZINC000615137330 430579506 /nfs/dbraw/zinc/57/95/06/430579506.db2.gz FVJAXCPWOQIAIH-NSHDSACASA-N -1 3 313.382 3.389 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@H](c2ccncc2)C1 ZINC000552401869 430595661 /nfs/dbraw/zinc/59/56/61/430595661.db2.gz JOTZPXJOLKKLBU-AWEZNQCLSA-N -1 3 316.788 2.999 20 0 DFADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(-n2cnnc2)cc1 ZINC000552435468 430596400 /nfs/dbraw/zinc/59/64/00/430596400.db2.gz ILVQILZNRFFXGS-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1Cc1ncccc1[O-] ZINC000554858850 430654610 /nfs/dbraw/zinc/65/46/10/430654610.db2.gz ZYSYDXNFSMWUFJ-GDBMZVCRSA-N -1 3 318.417 2.731 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)Cc1ccccc1 ZINC000571835618 430655851 /nfs/dbraw/zinc/65/58/51/430655851.db2.gz CDJUFDIEWBFGJJ-NSHDSACASA-N -1 3 315.373 2.712 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)Cc1ccccc1 ZINC000571835618 430655854 /nfs/dbraw/zinc/65/58/54/430655854.db2.gz CDJUFDIEWBFGJJ-NSHDSACASA-N -1 3 315.373 2.712 20 0 DFADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000571830169 430656021 /nfs/dbraw/zinc/65/60/21/430656021.db2.gz OXNKNLYZZWYLNM-TZMCWYRMSA-N -1 3 316.430 2.876 20 0 DFADHM O=C(Cc1cncc([O-])c1)Nc1ccc(Br)cc1 ZINC000552918962 430602862 /nfs/dbraw/zinc/60/28/62/430602862.db2.gz MPFBEWMJWOFWJE-UHFFFAOYSA-N -1 3 307.147 2.731 20 0 DFADHM O=C(Cc1cncc([O-])c1)NCc1ccc(C(F)(F)F)cc1 ZINC000552860189 430603207 /nfs/dbraw/zinc/60/32/07/430603207.db2.gz NGOBMFIRUAHIHT-UHFFFAOYSA-N -1 3 310.275 2.665 20 0 DFADHM O=C(NC[C@H]1CCCCC(F)(F)C1)c1cccc2nn[n-]c21 ZINC000552998977 430606419 /nfs/dbraw/zinc/60/64/19/430606419.db2.gz QNSWUVVYPCGAGA-JTQLQIEISA-N -1 3 308.332 2.903 20 0 DFADHM O=C(NC[C@H]1CCCCC(F)(F)C1)c1cccc2[n-]nnc21 ZINC000552998977 430606422 /nfs/dbraw/zinc/60/64/22/430606422.db2.gz QNSWUVVYPCGAGA-JTQLQIEISA-N -1 3 308.332 2.903 20 0 DFADHM O=C(NC[C@H]1CCCCC(F)(F)C1)c1cccc2n[n-]nc21 ZINC000552998977 430606426 /nfs/dbraw/zinc/60/64/26/430606426.db2.gz QNSWUVVYPCGAGA-JTQLQIEISA-N -1 3 308.332 2.903 20 0 DFADHM C[C@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@H]1c1ccccc1 ZINC000553157859 430609591 /nfs/dbraw/zinc/60/95/91/430609591.db2.gz BJMJWZPWUDIKEQ-MEDUHNTESA-N -1 3 309.369 2.893 20 0 DFADHM O=C(NCCSc1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553209275 430610365 /nfs/dbraw/zinc/61/03/65/430610365.db2.gz XCLANWHBZHHAIY-UHFFFAOYSA-N -1 3 315.398 2.582 20 0 DFADHM C[C@@H]1CN(Cc2nc3cc(Cl)ccc3n2C)C[C@]1(C)C(=O)[O-] ZINC000571173490 430610957 /nfs/dbraw/zinc/61/09/57/430610957.db2.gz XABBYXHMRYGMGZ-HWPZZCPQSA-N -1 3 321.808 2.769 20 0 DFADHM CCc1c(C)nc2ccccc2c1N1CCO[C@H](CC(=O)[O-])C1 ZINC000571214050 430613476 /nfs/dbraw/zinc/61/34/76/430613476.db2.gz AZAUAZPGEYTNRJ-CYBMUJFWSA-N -1 3 314.385 2.786 20 0 DFADHM O=C([O-])CC1(CN2CCO[C@H](CCc3ccccc3)C2)CC1 ZINC000571217689 430613483 /nfs/dbraw/zinc/61/34/83/430613483.db2.gz PVPLDYUYTGIABN-MRXNPFEDSA-N -1 3 303.402 2.575 20 0 DFADHM CCC[C@@H](C)S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000571235894 430614321 /nfs/dbraw/zinc/61/43/21/430614321.db2.gz HDDVTPAGMNJJNQ-CYBMUJFWSA-N -1 3 307.419 2.862 20 0 DFADHM c1c([N-]c2nccc(OCc3ccccc3)n2)nn2c1CCCC2 ZINC000553391247 430615327 /nfs/dbraw/zinc/61/53/27/430615327.db2.gz ZYQNUIORPFPUHW-UHFFFAOYSA-N -1 3 321.384 3.332 20 0 DFADHM C/C=C/c1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000553673293 430621636 /nfs/dbraw/zinc/62/16/36/430621636.db2.gz OZHCKCSAFLNLBH-NSCUHMNNSA-N -1 3 310.353 2.794 20 0 DFADHM CN(C)[C@@H](CNc1ccncc1C(=O)[O-])c1ccccc1Cl ZINC000571449589 430628870 /nfs/dbraw/zinc/62/88/70/430628870.db2.gz VSXHXVPVOKVHJA-HNNXBMFYSA-N -1 3 319.792 2.570 20 0 DFADHM CC1(C)CN(C(=O)c2cccc3[n-]nnc32)[C@@H]1c1ccncc1 ZINC000554484033 430638318 /nfs/dbraw/zinc/63/83/18/430638318.db2.gz PRWBNUJSIBQIPO-OAHLLOKOSA-N -1 3 307.357 2.576 20 0 DFADHM CC1(C)CN(C(=O)c2cccc3nn[n-]c32)[C@@H]1c1ccncc1 ZINC000554484033 430638322 /nfs/dbraw/zinc/63/83/22/430638322.db2.gz PRWBNUJSIBQIPO-OAHLLOKOSA-N -1 3 307.357 2.576 20 0 DFADHM CC1(C)CN(C(=O)c2cccc3n[n-]nc32)[C@@H]1c1ccncc1 ZINC000554484033 430638324 /nfs/dbraw/zinc/63/83/24/430638324.db2.gz PRWBNUJSIBQIPO-OAHLLOKOSA-N -1 3 307.357 2.576 20 0 DFADHM CC[C@@H](C)n1ncc(NC(=O)c2cc(F)cc3[n-]nnc32)c1C ZINC000554578853 430645145 /nfs/dbraw/zinc/64/51/45/430645145.db2.gz OFXJWSXOPFXACR-MRVPVSSYSA-N -1 3 316.340 2.825 20 0 DFADHM CC[C@@H](C)n1ncc(NC(=O)c2cc(F)cc3nn[n-]c32)c1C ZINC000554578853 430645148 /nfs/dbraw/zinc/64/51/48/430645148.db2.gz OFXJWSXOPFXACR-MRVPVSSYSA-N -1 3 316.340 2.825 20 0 DFADHM CC[C@@H](C)n1ncc(NC(=O)c2cc(F)cc3n[n-]nc32)c1C ZINC000554578853 430645151 /nfs/dbraw/zinc/64/51/51/430645151.db2.gz OFXJWSXOPFXACR-MRVPVSSYSA-N -1 3 316.340 2.825 20 0 DFADHM CCc1cc(C(=O)Nc2cnn(-c3ccncc3)c2)ccc1[O-] ZINC000643971119 430645840 /nfs/dbraw/zinc/64/58/40/430645840.db2.gz NGAKJMMZSXRHCV-UHFFFAOYSA-N -1 3 308.341 2.788 20 0 DFADHM CCc1cc(C(=O)Nc2cnn(Cc3ccccn3)c2)ccc1[O-] ZINC000643969441 430646202 /nfs/dbraw/zinc/64/62/02/430646202.db2.gz CONVBKDFCMZAST-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM CSc1ccc(S(=O)(=O)[N-]CC(C)(F)F)cc1Cl ZINC000555407874 430666369 /nfs/dbraw/zinc/66/63/69/430666369.db2.gz ROIFSXVUEPWDMH-UHFFFAOYSA-N -1 3 315.794 2.995 20 0 DFADHM CCCNC(=O)c1ccc(NC(=O)c2cc(C(F)F)[n-]n2)cc1 ZINC000639559321 430671415 /nfs/dbraw/zinc/67/14/15/430671415.db2.gz OUXXKXUOAGKBHK-UHFFFAOYSA-N -1 3 322.315 2.739 20 0 DFADHM COc1cnc(NC(=O)c2c[n-]nc2-c2ccccc2)s1 ZINC000555600186 430671604 /nfs/dbraw/zinc/67/16/04/430671604.db2.gz UYLTXQGJCBXQAF-UHFFFAOYSA-N -1 3 300.343 2.794 20 0 DFADHM COc1cnc(NC(=O)c2cn[n-]c2-c2ccccc2)s1 ZINC000555600186 430671606 /nfs/dbraw/zinc/67/16/06/430671606.db2.gz UYLTXQGJCBXQAF-UHFFFAOYSA-N -1 3 300.343 2.794 20 0 DFADHM Cc1oc(CN(C)C[C@H](O)[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000572250277 430678571 /nfs/dbraw/zinc/67/85/71/430678571.db2.gz MFTQBLLCPTWYJZ-SJCJKPOMSA-N -1 3 317.385 2.883 20 0 DFADHM CC(C)c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1 ZINC000192132873 278043531 /nfs/dbraw/zinc/04/35/31/278043531.db2.gz XVGWOJLCOAQKEI-UHFFFAOYSA-N -1 3 313.316 2.989 20 0 DFADHM CC(C)c1scnc1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000361857733 278117213 /nfs/dbraw/zinc/11/72/13/278117213.db2.gz DAPXEWJWYMUDPR-UHFFFAOYSA-N -1 3 305.338 2.701 20 0 DFADHM CC(C)n1ncc2c1[C@@H](NC(=O)c1ccc3n[n-]nc3c1)CCC2 ZINC000364895128 278145999 /nfs/dbraw/zinc/14/59/99/278145999.db2.gz ABYPNGAYSOWHEF-AWEZNQCLSA-N -1 3 324.388 2.543 20 0 DFADHM O=C(NCCC1CC(F)(F)C1)c1c[n-]c2ccccc2c1=O ZINC000572600550 430692068 /nfs/dbraw/zinc/69/20/68/430692068.db2.gz KBILONDYRSQQFK-UHFFFAOYSA-N -1 3 306.312 2.693 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cccc(C(C)=O)c2[O-])c1O ZINC000556893623 430696071 /nfs/dbraw/zinc/69/60/71/430696071.db2.gz XAXSOVKGOMEYKY-UHFFFAOYSA-N -1 3 315.325 2.870 20 0 DFADHM C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1Cc1ncccc1[O-] ZINC000572831601 430697266 /nfs/dbraw/zinc/69/72/66/430697266.db2.gz YKOGBJZDHOUIPW-STQMWFEESA-N -1 3 306.406 2.729 20 0 DFADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000573057437 430699323 /nfs/dbraw/zinc/69/93/23/430699323.db2.gz MBBUBKUWYPZOKR-GDLCADMTSA-N -1 3 324.340 2.581 20 0 DFADHM O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000573057437 430699324 /nfs/dbraw/zinc/69/93/24/430699324.db2.gz MBBUBKUWYPZOKR-GDLCADMTSA-N -1 3 324.340 2.581 20 0 DFADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000573057437 430699325 /nfs/dbraw/zinc/69/93/25/430699325.db2.gz MBBUBKUWYPZOKR-GDLCADMTSA-N -1 3 324.340 2.581 20 0 DFADHM CCCC(C)(C)C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000651110848 430708089 /nfs/dbraw/zinc/70/80/89/430708089.db2.gz KGYJIVQHYCDPBC-KRWDZBQOSA-N -1 3 317.389 2.506 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@@H]3CCCSC3)ccc2[n-]1 ZINC000644236407 430708208 /nfs/dbraw/zinc/70/82/08/430708208.db2.gz GFBFBEXEWCQDHF-NSHDSACASA-N -1 3 319.430 2.835 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@@H]3CCCSC3)cc2[n-]1 ZINC000644236407 430708212 /nfs/dbraw/zinc/70/82/12/430708212.db2.gz GFBFBEXEWCQDHF-NSHDSACASA-N -1 3 319.430 2.835 20 0 DFADHM [O-]c1cccc(CNC[C@@H](CO)CC2CC2)c1Br ZINC000657718455 430715855 /nfs/dbraw/zinc/71/58/55/430715855.db2.gz UXNVVFWYJJHNEP-NSHDSACASA-N -1 3 314.223 2.653 20 0 DFADHM Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ncccc1[O-] ZINC000661495965 430735377 /nfs/dbraw/zinc/73/53/77/430735377.db2.gz XJYILZFXPGKRCY-GFCCVEGCSA-N -1 3 317.364 2.665 20 0 DFADHM CCO[C@@]1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCOC1 ZINC000644469996 430736245 /nfs/dbraw/zinc/73/62/45/430736245.db2.gz VNMYESNKAKAWKR-KRWDZBQOSA-N -1 3 307.390 2.824 20 0 DFADHM CSc1nnc(NC(=O)C[C@@H]2OCc3cc(Cl)ccc32)[n-]1 ZINC000654655706 430770387 /nfs/dbraw/zinc/77/03/87/430770387.db2.gz UZJPWAUTMWMSNJ-JTQLQIEISA-N -1 3 324.793 2.780 20 0 DFADHM CSc1n[n-]c(NC(=O)C[C@@H]2OCc3cc(Cl)ccc32)n1 ZINC000654655706 430770390 /nfs/dbraw/zinc/77/03/90/430770390.db2.gz UZJPWAUTMWMSNJ-JTQLQIEISA-N -1 3 324.793 2.780 20 0 DFADHM CSc1nc(NC(=O)C[C@@H]2OCc3cc(Cl)ccc32)n[n-]1 ZINC000654655706 430770395 /nfs/dbraw/zinc/77/03/95/430770395.db2.gz UZJPWAUTMWMSNJ-JTQLQIEISA-N -1 3 324.793 2.780 20 0 DFADHM CCN=c1[n-]c(C(=O)N2CCc3sccc3[C@@H]2C)cs1 ZINC000648534843 430817500 /nfs/dbraw/zinc/81/75/00/430817500.db2.gz GKXMBFFJCOPQJC-VIFPVBQESA-N -1 3 307.444 2.818 20 0 DFADHM C[C@@H](COCC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000651539633 430817681 /nfs/dbraw/zinc/81/76/81/430817681.db2.gz IMHBGLJQPJQHAQ-ZDUSSCGKSA-N -1 3 317.360 2.968 20 0 DFADHM C[C@H](COCC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000651539632 430818653 /nfs/dbraw/zinc/81/86/53/430818653.db2.gz IMHBGLJQPJQHAQ-CYBMUJFWSA-N -1 3 317.360 2.968 20 0 DFADHM C[C@H]([N-]C(=O)c1c(F)ccc(F)c1F)c1noc(C(F)F)n1 ZINC000644776965 430820399 /nfs/dbraw/zinc/82/03/99/430820399.db2.gz OTJIKMFADIHTPG-BYPYZUCNSA-N -1 3 321.205 2.916 20 0 DFADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654830484 430821822 /nfs/dbraw/zinc/82/18/22/430821822.db2.gz KMCUNHONDWBUBJ-KDOFPFPSSA-N -1 3 309.369 2.520 20 0 DFADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654830483 430822442 /nfs/dbraw/zinc/82/24/42/430822442.db2.gz KMCUNHONDWBUBJ-KBXCAEBGSA-N -1 3 309.369 2.520 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651572613 430822658 /nfs/dbraw/zinc/82/26/58/430822658.db2.gz YTCFFVZTCOLVPA-RNCFNFMXSA-N -1 3 323.817 2.555 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2noc(C(F)F)n2)c([O-])c1C ZINC000644781317 430822756 /nfs/dbraw/zinc/82/27/56/430822756.db2.gz ZPSOSKUTLURBLX-QMMMGPOBSA-N -1 3 311.288 2.821 20 0 DFADHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651629101 430834372 /nfs/dbraw/zinc/83/43/72/430834372.db2.gz JHVSTKHVOSOVSA-NOZJJQNGSA-N -1 3 321.801 2.573 20 0 DFADHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651629103 430835186 /nfs/dbraw/zinc/83/51/86/430835186.db2.gz JHVSTKHVOSOVSA-TVQRCGJNSA-N -1 3 321.801 2.573 20 0 DFADHM CC[C@@H](CC(C)C)C(=O)N=c1[n-]n(C)cc1Br ZINC000648439995 430786352 /nfs/dbraw/zinc/78/63/52/430786352.db2.gz BYXYXDKYIKFOAO-VIFPVBQESA-N -1 3 302.216 2.615 20 0 DFADHM C[C@@H]1CN(C(=O)c2cnc3c(cnn3C)c2[O-])[C@@H]1c1ccccc1 ZINC000179525129 288056347 /nfs/dbraw/zinc/05/63/47/288056347.db2.gz QLGUUAUEFCKNSL-ABAIWWIYSA-N -1 3 322.368 2.507 20 0 DFADHM Cc1cnc(-c2noc(CCCc3ccc([O-])c(F)c3)n2)cn1 ZINC000665021417 430805324 /nfs/dbraw/zinc/80/53/24/430805324.db2.gz UXYZVSYXGFJOMP-UHFFFAOYSA-N -1 3 314.320 2.855 20 0 DFADHM CN1CCN(Cc2ccccc2-c2ccc3c([O-])coc3c2)CC1 ZINC000665189853 430849904 /nfs/dbraw/zinc/84/99/04/430849904.db2.gz AJRWTCRDXBRNDI-UHFFFAOYSA-N -1 3 322.408 2.676 20 0 DFADHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651702405 430854421 /nfs/dbraw/zinc/85/44/21/430854421.db2.gz SVIIQSGRNMCYCV-CPCISQLKSA-N -1 3 309.815 2.509 20 0 DFADHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000651712547 430856976 /nfs/dbraw/zinc/85/69/76/430856976.db2.gz JPUVPTLLODRYJP-CYBMUJFWSA-N -1 3 321.801 2.573 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(Cl)c(F)c1 ZINC000651738834 430861939 /nfs/dbraw/zinc/86/19/39/430861939.db2.gz ZZICTTPVWUIJEO-DFAYQTQMSA-N -1 3 303.786 2.946 20 0 DFADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)CS1 ZINC000651740190 430864297 /nfs/dbraw/zinc/86/42/97/430864297.db2.gz TXJBOSHJHPXLNJ-YUMQZZPRSA-N -1 3 309.815 2.651 20 0 DFADHM CCOc1ccc2c(c1)[C@H]([N-]c1nnc(C(F)F)o1)CCO2 ZINC000644940019 430870687 /nfs/dbraw/zinc/87/06/87/430870687.db2.gz ZTWJFRAOHKJBAG-SNVBAGLBSA-N -1 3 311.288 3.342 20 0 DFADHM O=S(=O)([N-]C1(C2CCC2)CC1)c1cnccc1C(F)(F)F ZINC000651871397 430898746 /nfs/dbraw/zinc/89/87/46/430898746.db2.gz MBIJRPPRVYNPRR-UHFFFAOYSA-N -1 3 320.336 2.711 20 0 DFADHM CC(C)(C)CN(CC(=O)[O-])Cc1cnn(-c2ccc(F)cc2)c1 ZINC000665350525 430904551 /nfs/dbraw/zinc/90/45/51/430904551.db2.gz WNCRJBIZHDTDTH-UHFFFAOYSA-N -1 3 319.380 2.944 20 0 DFADHM O=C([O-])C1(C[NH2+]Cc2cc([O-])cc(C(F)(F)F)c2)CCC1 ZINC000665354001 430906430 /nfs/dbraw/zinc/90/64/30/430906430.db2.gz UVACCUQZDNXOIL-UHFFFAOYSA-N -1 3 303.280 2.756 20 0 DFADHM COc1ccc(CNCC2(C(=O)[O-])CCC2)c(Cl)c1OC ZINC000665354662 430906609 /nfs/dbraw/zinc/90/66/09/430906609.db2.gz XIEATUZEQFKLGG-UHFFFAOYSA-N -1 3 313.781 2.702 20 0 DFADHM O=C([O-])[C@H](CNCc1cnc(-c2ccccc2)nc1)C1CCC1 ZINC000665363144 430909720 /nfs/dbraw/zinc/90/97/20/430909720.db2.gz TVHLGEUBZXEZSX-MRXNPFEDSA-N -1 3 311.385 2.734 20 0 DFADHM O=S(=O)([N-]C1CC2(CCC2)C1)c1cc(F)c(F)c(F)c1 ZINC000651919119 430914557 /nfs/dbraw/zinc/91/45/57/430914557.db2.gz DJZIFGZCHOTRRJ-UHFFFAOYSA-N -1 3 305.321 2.715 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCC[C@@H]1C1CCC1 ZINC000655160960 430917251 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HVNGYXTWJVCWDD-UHFFFAOYSA-N -1 3 319.324 2.911 20 0 DFADHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1sccc1Cl ZINC000649830310 431320441 /nfs/dbraw/zinc/32/04/41/431320441.db2.gz UFHDRGLNPDWEPV-JTQLQIEISA-N -1 3 322.883 2.554 20 0 DFADHM O=C(NCC[C@H]1CCc2ccccc2N1)c1ccc2n[n-]nc2c1 ZINC000653230912 431323204 /nfs/dbraw/zinc/32/32/04/431323204.db2.gz CHPXTNFICQMWFG-CQSZACIVSA-N -1 3 321.384 2.505 20 0 DFADHM Cn1nnc2cc(C(=O)Nc3c([O-])cccc3Cl)ccc21 ZINC000646488461 431325715 /nfs/dbraw/zinc/32/57/15/431325715.db2.gz HZNBUIQGIBCVRX-UHFFFAOYSA-N -1 3 302.721 2.580 20 0 DFADHM CCCn1nccc1CN[C@H](CC(=O)[O-])c1ccccc1C ZINC000663260096 431343524 /nfs/dbraw/zinc/34/35/24/431343524.db2.gz MTPUKEHJBPJACT-MRXNPFEDSA-N -1 3 301.390 2.907 20 0 DFADHM CO[C@H](CNCc1ccc(-c2cccs2)cc1)CC(=O)[O-] ZINC000663261375 431345003 /nfs/dbraw/zinc/34/50/03/431345003.db2.gz BOFTUVKTZUJFNV-AWEZNQCLSA-N -1 3 305.399 2.994 20 0 DFADHM O=C(Cc1cncc([O-])c1)NC1CCC(C(F)(F)F)CC1 ZINC000646620884 431354746 /nfs/dbraw/zinc/35/47/46/431354746.db2.gz IBRZBKPXVSACAZ-UHFFFAOYSA-N -1 3 302.296 2.567 20 0 DFADHM CCCCN1CCCC[C@@H]1CNC(=O)C(CC)(CC)C(=O)[O-] ZINC000653294475 431356298 /nfs/dbraw/zinc/35/62/98/431356298.db2.gz OBEIELIZHVBXEA-CQSZACIVSA-N -1 3 312.454 2.648 20 0 DFADHM CCCCN1CCCC[C@H]1CNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653294560 431356665 /nfs/dbraw/zinc/35/66/65/431356665.db2.gz RPZDCWIPNVVDCW-YJBOKZPZSA-N -1 3 322.449 2.568 20 0 DFADHM CC(C)[C@H](CNC(=O)c1ccc2[nH][n-]c(=O)c2c1)c1cccnc1 ZINC000646900338 431413217 /nfs/dbraw/zinc/41/32/17/431413217.db2.gz MNSDETZRVVESBB-HNNXBMFYSA-N -1 3 324.384 2.833 20 0 DFADHM O=C(CCc1ccon1)Nc1cc(Br)ccc1[O-] ZINC000646898462 431413868 /nfs/dbraw/zinc/41/38/68/431413868.db2.gz VOSCEKZJPVJECX-UHFFFAOYSA-N -1 3 311.135 2.714 20 0 DFADHM Cn1nccc1[C@@H]1CCCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000656507167 431415739 /nfs/dbraw/zinc/41/57/39/431415739.db2.gz LPJAZSLNDACGPE-HNNXBMFYSA-N -1 3 313.405 2.520 20 0 DFADHM CCc1cc(C(=O)N[C@@H]2CC[C@](O)(C(F)(F)F)C2)ccc1[O-] ZINC000646712244 431374243 /nfs/dbraw/zinc/37/42/43/431374243.db2.gz HYEYWAUFMVTXAM-BXUZGUMPSA-N -1 3 317.307 2.530 20 0 DFADHM COc1cc(=NC(=O)C2(c3ccccc3Cl)CCC2)[n-]n1C ZINC000649936632 431375749 /nfs/dbraw/zinc/37/57/49/431375749.db2.gz BRXHFOQAMXGBJZ-UHFFFAOYSA-N -1 3 319.792 2.564 20 0 DFADHM CCc1cccc(C(=O)N[C@@H]2CC[C@](O)(C(F)(F)F)C2)c1[O-] ZINC000646716871 431376356 /nfs/dbraw/zinc/37/63/56/431376356.db2.gz DLTLZOQJNOTRAL-QMTHXVAHSA-N -1 3 317.307 2.530 20 0 DFADHM O=c1cc(CN2CCO[C@@H]3CCC[C@H]32)nc(-c2ccccc2)[n-]1 ZINC000656417036 431379638 /nfs/dbraw/zinc/37/96/38/431379638.db2.gz KOLFQENNRFNEHB-HZPDHXFCSA-N -1 3 311.385 2.603 20 0 DFADHM Cc1sc2[nH]c(CNC3(C(=O)[O-])CCCC3)nc(=O)c2c1C ZINC000653359782 431381054 /nfs/dbraw/zinc/38/10/54/431381054.db2.gz WLYXDBLEERKDLH-UHFFFAOYSA-N -1 3 321.402 2.501 20 0 DFADHM Cc1sc2[n-]c(C[NH2+]C3(C(=O)[O-])CCCC3)nc(=O)c2c1C ZINC000653359782 431381057 /nfs/dbraw/zinc/38/10/57/431381057.db2.gz WLYXDBLEERKDLH-UHFFFAOYSA-N -1 3 321.402 2.501 20 0 DFADHM CCn1nccc1CNCc1cc([O-])ccc1Br ZINC000663348729 431381053 /nfs/dbraw/zinc/38/10/53/431381053.db2.gz KWGMWXKYAJEJSS-UHFFFAOYSA-N -1 3 310.195 2.661 20 0 DFADHM [O-]c1cccc(CN(CCCO)C2CC2)c1Br ZINC000656441420 431385946 /nfs/dbraw/zinc/38/59/46/431385946.db2.gz LUOZLLPYDHSUGX-UHFFFAOYSA-N -1 3 300.196 2.502 20 0 DFADHM O=C(NCc1cscn1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646784217 431394553 /nfs/dbraw/zinc/39/45/53/431394553.db2.gz KPJPFOQVRDLXPL-UHFFFAOYSA-N -1 3 302.277 2.798 20 0 DFADHM O=c1nc(COC[C@H]2CCCO2)[n-]c2sc3c(c21)CCC3 ZINC000656489493 431406723 /nfs/dbraw/zinc/40/67/23/431406723.db2.gz DJBSONARPZLBHN-SECBINFHSA-N -1 3 306.387 2.581 20 0 DFADHM CO[C@@H](C[C@H](NCc1ccccc1OC(C)C)C(=O)[O-])C1CC1 ZINC000653507336 431408766 /nfs/dbraw/zinc/40/87/66/431408766.db2.gz GBMRDRWGGGYZHH-RDJZCZTQSA-N -1 3 321.417 2.832 20 0 DFADHM CC(C)(CC(=O)[O-])NCc1cccc(Br)c1F ZINC000653505537 431409581 /nfs/dbraw/zinc/40/95/81/431409581.db2.gz SOEBBKTVEXCLOI-UHFFFAOYSA-N -1 3 304.159 2.931 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1CCC(C2CC2)CC1 ZINC000667013765 431445623 /nfs/dbraw/zinc/44/56/23/431445623.db2.gz GSLSNKFOLVLMFH-UHFFFAOYSA-N -1 3 302.300 2.978 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1CCC(C2CC2)CC1 ZINC000667013765 431445627 /nfs/dbraw/zinc/44/56/27/431445627.db2.gz GSLSNKFOLVLMFH-UHFFFAOYSA-N -1 3 302.300 2.978 20 0 DFADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2n[nH]cc2c1)C1CCCC1 ZINC000656616811 431451659 /nfs/dbraw/zinc/45/16/59/431451659.db2.gz SBDPOMYYDVMUAB-HNNXBMFYSA-N -1 3 323.418 2.510 20 0 DFADHM CCOCc1cccc([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1 ZINC000647126214 431470282 /nfs/dbraw/zinc/47/02/82/431470282.db2.gz GUOHVKQHKKFHHN-HNNXBMFYSA-N -1 3 315.435 2.636 20 0 DFADHM CCOc1cc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)ccc1C ZINC000647126724 431470822 /nfs/dbraw/zinc/47/08/22/431470822.db2.gz XOUHKHJULMRZJS-OAHLLOKOSA-N -1 3 315.435 2.806 20 0 DFADHM CCOc1cc(-c2nc([C@@H]3CCCN3)no2)cc(Cl)c1[O-] ZINC000647146081 431479053 /nfs/dbraw/zinc/47/90/53/431479053.db2.gz MLRJCYOVZDHGCB-JTQLQIEISA-N -1 3 309.753 2.919 20 0 DFADHM CCCc1nnc([N-]C(=O)c2cn(C)nc2-c2ccco2)s1 ZINC000666969126 431428305 /nfs/dbraw/zinc/42/83/05/431428305.db2.gz GMDIUTGJTOKLFF-UHFFFAOYSA-N -1 3 317.374 2.736 20 0 DFADHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646948814 431430167 /nfs/dbraw/zinc/43/01/67/431430167.db2.gz LKRHWNKSAXPEJA-NOZJJQNGSA-N -1 3 317.307 2.692 20 0 DFADHM CC(F)(F)C(C)(C)[N-]S(=O)(=O)CCc1ccccc1F ZINC000656735812 431493205 /nfs/dbraw/zinc/49/32/05/431493205.db2.gz YBSRUPZLOXHSAP-UHFFFAOYSA-N -1 3 309.353 2.721 20 0 DFADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccncc2C)c1 ZINC000656727148 431494418 /nfs/dbraw/zinc/49/44/18/431494418.db2.gz KPZUFOFMNXNSCJ-ZDUSSCGKSA-N -1 3 320.414 2.790 20 0 DFADHM COc1ccnc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC000656762435 431506715 /nfs/dbraw/zinc/50/67/15/431506715.db2.gz AQOWKAMKHHQXNC-JYJNAYRXSA-N -1 3 304.390 2.556 20 0 DFADHM CC[C@H](C(=O)[O-])N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000656760028 431506843 /nfs/dbraw/zinc/50/68/43/431506843.db2.gz NTEPHTWWHUJAIC-GFCCVEGCSA-N -1 3 317.216 2.979 20 0 DFADHM COc1ncccc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656765080 431509807 /nfs/dbraw/zinc/50/98/07/431509807.db2.gz IUGLZDOWQWPNFH-KKUMJFAQSA-N -1 3 304.390 2.556 20 0 DFADHM C[C@]12COC[C@@H]1CN([C@@H](C(=O)[O-])c1c(F)cccc1Cl)C2 ZINC000656765397 431511372 /nfs/dbraw/zinc/51/13/72/431511372.db2.gz LAGBOCCRDRTYIB-RJIBLYRGSA-N -1 3 313.756 2.573 20 0 DFADHM Cc1nc(CC2CC2)sc1C(=O)[N-]c1ncn(C(C)C)n1 ZINC000650285198 431511807 /nfs/dbraw/zinc/51/18/07/431511807.db2.gz OUPBJFYRYJOFJS-UHFFFAOYSA-N -1 3 305.407 2.829 20 0 DFADHM c1c(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)nn2c1CCC2 ZINC000656769158 431512691 /nfs/dbraw/zinc/51/26/91/431512691.db2.gz BTSIWXSWYAGXSD-HNNXBMFYSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1ccc([O-])c(CNCc2ccc3c(c2)OC(F)(F)O3)n1 ZINC000647225186 431515502 /nfs/dbraw/zinc/51/55/02/431515502.db2.gz SBFDYNCKNUFAKK-UHFFFAOYSA-N -1 3 308.284 2.707 20 0 DFADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1ccnn1-c1ccccc1)C2 ZINC000263532488 280071786 /nfs/dbraw/zinc/07/17/86/280071786.db2.gz XHRAQFLEFHHNHI-KBXCAEBGSA-N -1 3 311.385 2.559 20 0 DFADHM C[C@]1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)[C@@H]2Cc3ccccc3[C@@H]21 ZINC000370683239 280151579 /nfs/dbraw/zinc/15/15/79/280151579.db2.gz IWBMCDVJYWTMBC-BFVZDQMLSA-N -1 3 322.290 2.738 20 0 DFADHM C[C@]1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)[C@@H]2Cc3ccccc3[C@@H]21 ZINC000370683239 280151582 /nfs/dbraw/zinc/15/15/82/280151582.db2.gz IWBMCDVJYWTMBC-BFVZDQMLSA-N -1 3 322.290 2.738 20 0 DFADHM CO[C@H](CS(=O)(=O)[N-]Cc1occc1C)C1CCCCC1 ZINC000656995768 431573775 /nfs/dbraw/zinc/57/37/75/431573775.db2.gz XIMHTTPEHGAGFD-OAHLLOKOSA-N -1 3 315.435 2.603 20 0 DFADHM Cc1ccc(-c2nn(C)cc2CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)o1 ZINC000647460253 431593299 /nfs/dbraw/zinc/59/32/99/431593299.db2.gz UQDSJRHACRUKPI-DGCLKSJQSA-N -1 3 317.389 2.531 20 0 DFADHM CCc1cc(NCC2(C(=O)[O-])CCOCC2)c2ccccc2n1 ZINC000647458163 431593318 /nfs/dbraw/zinc/59/33/18/431593318.db2.gz WEBMHMKHHYCFDJ-UHFFFAOYSA-N -1 3 314.385 2.512 20 0 DFADHM CC(C)N(C)c1ccc(CN2CCC(C)(C(=O)[O-])CC2)cn1 ZINC000647464328 431595746 /nfs/dbraw/zinc/59/57/46/431595746.db2.gz JIGSHCGVFWFBFC-UHFFFAOYSA-N -1 3 305.422 2.613 20 0 DFADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CO1 ZINC000657040342 431583763 /nfs/dbraw/zinc/58/37/63/431583763.db2.gz CDZDCGMLFNMNKS-SNVBAGLBSA-N -1 3 324.229 2.839 20 0 DFADHM CN(C)[C@@H](CNc1ccc(C(=O)[O-])cn1)c1cccc(F)c1 ZINC000647445073 431583851 /nfs/dbraw/zinc/58/38/51/431583851.db2.gz WYTAVIFGIGFGBN-AWEZNQCLSA-N -1 3 303.337 2.634 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@H]2CCCC23CCCCC3)cn1C ZINC000657040053 431584790 /nfs/dbraw/zinc/58/47/90/431584790.db2.gz LSRWDSIAPOWJRA-ZDUSSCGKSA-N -1 3 311.451 2.510 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccc(F)cc2C)o1 ZINC000657056230 431589057 /nfs/dbraw/zinc/58/90/57/431589057.db2.gz CTACJACBZGATDI-LLVKDONJSA-N -1 3 311.378 2.945 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000657149527 431608726 /nfs/dbraw/zinc/60/87/26/431608726.db2.gz MSSICSCSZPDWEF-MDZLAQPJSA-N -1 3 313.394 2.549 20 0 DFADHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2)O1 ZINC000657154128 431611169 /nfs/dbraw/zinc/61/11/69/431611169.db2.gz ZJGZGMXTOBUUMU-UWVGGRQHSA-N -1 3 321.801 2.715 20 0 DFADHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccco2)C12CCC2 ZINC000657189774 431622072 /nfs/dbraw/zinc/62/20/72/431622072.db2.gz WQIXVUKGSYZPCB-NEPJUHHUSA-N -1 3 313.419 2.684 20 0 DFADHM CCCn1c(=O)[n-]nc1SCc1cnc2ccccc2n1 ZINC000657232049 431631779 /nfs/dbraw/zinc/63/17/79/431631779.db2.gz UKIDMNRSJVTKQX-UHFFFAOYSA-N -1 3 301.375 2.629 20 0 DFADHM CCCc1cc(=O)[n-]c(C(=Cc2cncnc2OC)CC)n1 ZINC000647601846 431633197 /nfs/dbraw/zinc/63/31/97/431633197.db2.gz QKQNOKFXNMZJSQ-YRNVUSSQSA-N -1 3 300.362 2.884 20 0 DFADHM CCN1C[C@H](c2nc(=O)c3c4ccccc4sc3[n-]2)CC1=O ZINC000647602637 431635877 /nfs/dbraw/zinc/63/58/77/431635877.db2.gz PUYJVYDVKVTRMM-SECBINFHSA-N -1 3 313.382 2.886 20 0 DFADHM COC[C@@H](C)Cc1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000650655418 431638867 /nfs/dbraw/zinc/63/88/67/431638867.db2.gz XQUIACLWPQSSEX-NSHDSACASA-N -1 3 308.353 2.915 20 0 DFADHM CC(C)Cn1nccc1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000647646587 431643206 /nfs/dbraw/zinc/64/32/06/431643206.db2.gz DOMBZUOMGCLJEZ-ZDUSSCGKSA-N -1 3 307.419 2.906 20 0 DFADHM CCc1ccc([C@H](C)CC(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000647717200 431666528 /nfs/dbraw/zinc/66/65/28/431666528.db2.gz COSYYRMGIHRTNB-CYBMUJFWSA-N -1 3 315.417 2.515 20 0 DFADHM Cc1ccc(-c2nc(COC[C@H]3CCCO3)no2)c([O-])c1C ZINC000647721695 431669697 /nfs/dbraw/zinc/66/96/97/431669697.db2.gz KHMCPVAHODQLFG-GFCCVEGCSA-N -1 3 304.346 2.755 20 0 DFADHM Cc1ccc(C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)c([O-])c1 ZINC000650762049 431683934 /nfs/dbraw/zinc/68/39/34/431683934.db2.gz RJCLIMHFQVRBPD-QGZVFWFLSA-N -1 3 324.424 2.700 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)c1 ZINC000650762329 431683978 /nfs/dbraw/zinc/68/39/78/431683978.db2.gz ZZVGOCLNVYUJMX-QGZVFWFLSA-N -1 3 324.424 2.700 20 0 DFADHM O=C(COc1ccccc1Cl)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647802169 431694924 /nfs/dbraw/zinc/69/49/24/431694924.db2.gz IICYPTHYBGMNIB-UHFFFAOYSA-N -1 3 317.732 2.939 20 0 DFADHM CC[C@H](C(=O)[O-])N(C)Cc1cccc(OC)c1OC(F)F ZINC000650807553 431709038 /nfs/dbraw/zinc/70/90/38/431709038.db2.gz AOTOCSQWKSDSDV-SNVBAGLBSA-N -1 3 303.305 2.592 20 0 DFADHM Cc1nc(N=C([O-])Nc2ccc(O)c(C)c2)n(-c2ccccc2)n1 ZINC000647973735 431758871 /nfs/dbraw/zinc/75/88/71/431758871.db2.gz RVIJAZTVLNTPBE-UHFFFAOYSA-N -1 3 323.356 2.656 20 0 DFADHM Cc1nc([N-]C(=O)Nc2ccc(O)c(C)c2)n(-c2ccccc2)n1 ZINC000647973735 431758878 /nfs/dbraw/zinc/75/88/78/431758878.db2.gz RVIJAZTVLNTPBE-UHFFFAOYSA-N -1 3 323.356 2.656 20 0 DFADHM Oc1ccc2c(c1)[C@@H]([N-]c1nc(C3CCOCC3)no1)CC2 ZINC000664452564 431781557 /nfs/dbraw/zinc/78/15/57/431781557.db2.gz URNCFFMHCUCAEI-AWEZNQCLSA-N -1 3 301.346 2.769 20 0 DFADHM O=C(Nc1nc2c(s1)CCCC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654409403 431781635 /nfs/dbraw/zinc/78/16/35/431781635.db2.gz UTPHNNYVLBPKIE-UHFFFAOYSA-N -1 3 316.386 2.647 20 0 DFADHM CC[C@H]1CN(Cc2cc([O-])cc(F)c2)C[C@]2(CCCOC2)O1 ZINC000370029107 288290942 /nfs/dbraw/zinc/29/09/42/288290942.db2.gz FFSMRFOZYBTLIV-IRXDYDNUSA-N -1 3 309.381 2.691 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)Nc3ccnc4ccnn43)c[n-]c12 ZINC000163362965 281267694 /nfs/dbraw/zinc/26/76/94/281267694.db2.gz WDVVCKFDRUPPEW-UHFFFAOYSA-N -1 3 319.324 2.544 20 0 DFADHM CNC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153589641 289052298 /nfs/dbraw/zinc/05/22/98/289052298.db2.gz HYSCGAGGSCDQCM-UHFFFAOYSA-N -1 3 304.733 2.658 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC000153645691 289054552 /nfs/dbraw/zinc/05/45/52/289054552.db2.gz SCICVIYKJWUYDW-UHFFFAOYSA-N -1 3 317.819 2.889 20 0 DFADHM O=C(Nc1ccc(Cl)cc1[O-])c1csc(-c2nc[nH]n2)n1 ZINC000153672782 289055243 /nfs/dbraw/zinc/05/52/43/289055243.db2.gz OKFAFQJESFVNPU-UHFFFAOYSA-N -1 3 321.749 2.540 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2)c1 ZINC000153756783 289058745 /nfs/dbraw/zinc/05/87/45/289058745.db2.gz QPPOLTJQCXREJJ-KGLIPLIRSA-N -1 3 321.446 2.935 20 0 DFADHM CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000153841422 289063208 /nfs/dbraw/zinc/06/32/08/289063208.db2.gz NBUGVMZGPGIFRD-QGZVFWFLSA-N -1 3 312.413 2.958 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@H]2c2ccccc2F)on1 ZINC000363359454 289083043 /nfs/dbraw/zinc/08/30/43/289083043.db2.gz UCGIELZRDBADKO-RISCZKNCSA-N -1 3 303.337 2.896 20 0 DFADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000363399051 289088191 /nfs/dbraw/zinc/08/81/91/289088191.db2.gz SFFMDWDGTXLRRI-SCDSUCTJSA-N -1 3 305.374 2.580 20 0 DFADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000363399052 289088298 /nfs/dbraw/zinc/08/82/98/289088298.db2.gz SFFMDWDGTXLRRI-VHRBIJSZSA-N -1 3 305.374 2.580 20 0 DFADHM CCN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)C1CC(C)(C)C1 ZINC000412843012 289100051 /nfs/dbraw/zinc/10/00/51/289100051.db2.gz RLEBVOONKLYNOO-UHFFFAOYSA-N -1 3 324.446 2.709 20 0 DFADHM CN(C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000271249833 289191842 /nfs/dbraw/zinc/19/18/42/289191842.db2.gz IZKBVFQASVOUMX-VIFPVBQESA-N -1 3 317.216 2.865 20 0 DFADHM C[C@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000362110209 290336661 /nfs/dbraw/zinc/33/66/61/290336661.db2.gz DMCUECIIYWUKKI-GWCFXTLKSA-N -1 3 300.399 2.714 20 0 DFADHM CC(C)[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1cccnc1 ZINC000436181833 296991081 /nfs/dbraw/zinc/99/10/81/296991081.db2.gz OPRYEPAASHUGHZ-MRXNPFEDSA-N -1 3 302.349 2.982 20 0 DFADHM Cc1nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c(C)s1 ZINC000179198928 293195563 /nfs/dbraw/zinc/19/55/63/293195563.db2.gz UAVBYMDFJUYOPF-UHFFFAOYSA-N -1 3 308.310 2.883 20 0 DFADHM O=c1[nH]cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)s1 ZINC000436480497 297005868 /nfs/dbraw/zinc/00/58/68/297005868.db2.gz WOXWWLSLTWYRJR-UHFFFAOYSA-N -1 3 324.305 2.668 20 0 DFADHM COc1cccc(C(=O)Nc2cc(OC)c(OC)cc2F)c1[O-] ZINC000436484498 297005886 /nfs/dbraw/zinc/00/58/86/297005886.db2.gz HZJVFQIZLITAOI-UHFFFAOYSA-N -1 3 321.304 2.809 20 0 DFADHM Cc1cccc2oc(CCNC(=O)c3ccc(O)cc3[O-])nc21 ZINC000436492512 297006871 /nfs/dbraw/zinc/00/68/71/297006871.db2.gz RUSGEFLQWBSIFP-UHFFFAOYSA-N -1 3 312.325 2.520 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2ccc3nc(C)cn3c2)c1[O-] ZINC000436532153 297009983 /nfs/dbraw/zinc/00/99/83/297009983.db2.gz FJQWPKAGSSCKAX-UHFFFAOYSA-N -1 3 311.341 2.918 20 0 DFADHM CCCN(C(=O)c1cccc(C)c1[O-])[C@H](CC)C(=O)OCC ZINC000436524040 297008843 /nfs/dbraw/zinc/00/88/43/297008843.db2.gz FAXPMRDYYPAYMK-CQSZACIVSA-N -1 3 307.390 2.895 20 0 DFADHM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000436530284 297009464 /nfs/dbraw/zinc/00/94/64/297009464.db2.gz QDTRMOZPQPCYSS-MRXNPFEDSA-N -1 3 313.353 2.687 20 0 DFADHM COc1cccc(C(=O)N2CCC=C(c3ccncc3)C2)c1[O-] ZINC000436539168 297010482 /nfs/dbraw/zinc/01/04/82/297010482.db2.gz VUOXOIQKXWDIKR-UHFFFAOYSA-N -1 3 310.353 2.725 20 0 DFADHM CC[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@@H](C)O1 ZINC000436542191 297010543 /nfs/dbraw/zinc/01/05/43/297010543.db2.gz ADNIWDCNVMZKDQ-IUODEOHRSA-N -1 3 303.402 2.911 20 0 DFADHM CC[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@H](C)O1 ZINC000436542192 297010680 /nfs/dbraw/zinc/01/06/80/297010680.db2.gz ADNIWDCNVMZKDQ-SWLSCSKDSA-N -1 3 303.402 2.911 20 0 DFADHM CC(C)c1cc(C(=O)N[C@@H](C(N)=O)C(C)C)c([O-])c(C(C)C)c1 ZINC000436557282 297012070 /nfs/dbraw/zinc/01/20/70/297012070.db2.gz TUJSKCXJJCJSLF-OAHLLOKOSA-N -1 3 320.433 2.879 20 0 DFADHM CCOCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436558901 297012472 /nfs/dbraw/zinc/01/24/72/297012472.db2.gz RLPFDQCWANEPKL-UHFFFAOYSA-N -1 3 301.342 2.951 20 0 DFADHM CC[C@@](NC(=O)c1ccccc1[O-])(C(=O)OC)c1ccccc1 ZINC000436558142 297012541 /nfs/dbraw/zinc/01/25/41/297012541.db2.gz UGSXXHJUGAKJGP-SFHVURJKSA-N -1 3 313.353 2.601 20 0 DFADHM CC[C@@](C)(O)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436572514 297013640 /nfs/dbraw/zinc/01/36/40/297013640.db2.gz GVOMWWLWWHILJU-LJQANCHMSA-N -1 3 313.397 2.874 20 0 DFADHM COc1cccc(CCNC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436572208 297013658 /nfs/dbraw/zinc/01/36/58/297013658.db2.gz DQDSDEAHNPMAPA-UHFFFAOYSA-N -1 3 313.353 2.576 20 0 DFADHM COC(=O)[C@@H](CNC(=O)c1ccc(C)c(C)c1[O-])CC(C)C ZINC000436591467 297015955 /nfs/dbraw/zinc/01/59/55/297015955.db2.gz QGKQNPWVNCOFIO-CYBMUJFWSA-N -1 3 307.390 2.574 20 0 DFADHM COc1ccc(O[C@@H](C)CNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000436579015 297014260 /nfs/dbraw/zinc/01/42/60/297014260.db2.gz YNBMFIAECBAXPU-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM Cc1cccc(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1[O-] ZINC000436583863 297014721 /nfs/dbraw/zinc/01/47/21/297014721.db2.gz KQUDXVLVVIZQLW-BBRMVZONSA-N -1 3 324.380 2.624 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([O-])c1C ZINC000436586224 297015350 /nfs/dbraw/zinc/01/53/50/297015350.db2.gz AVKZJAIOCYHUKG-NUEKZKHPSA-N -1 3 303.402 2.942 20 0 DFADHM CCC(CC)[C@@H](O)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436586635 297015411 /nfs/dbraw/zinc/01/54/11/297015411.db2.gz UBOXCLFHKMEUHH-AWEZNQCLSA-N -1 3 321.417 2.633 20 0 DFADHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436590475 297015613 /nfs/dbraw/zinc/01/56/13/297015613.db2.gz NCEVASQOGNAQHB-LLVKDONJSA-N -1 3 315.417 2.720 20 0 DFADHM COCCN(C(=O)c1ccc([O-])c(OC)c1)[C@H]1CC[C@H](C)C1 ZINC000436595048 297016303 /nfs/dbraw/zinc/01/63/03/297016303.db2.gz KVSPENZLXVKFHU-JSGCOSHPSA-N -1 3 307.390 2.678 20 0 DFADHM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436592491 297016336 /nfs/dbraw/zinc/01/63/36/297016336.db2.gz VWDNDGUAKWEZSI-SWLSCSKDSA-N -1 3 303.402 2.911 20 0 DFADHM Cc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])c(=O)n(C)c1 ZINC000436593745 297016469 /nfs/dbraw/zinc/01/64/69/297016469.db2.gz CHDQADNPPBLDTJ-UHFFFAOYSA-N -1 3 300.358 2.775 20 0 DFADHM CCNC(=O)c1ccc(NC(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000436598332 297016879 /nfs/dbraw/zinc/01/68/79/297016879.db2.gz YMVFMSWJNAJMAZ-UHFFFAOYSA-N -1 3 312.369 2.957 20 0 DFADHM Cc1ccc(C(=O)NC2(C(N)=O)CCC(C)(C)CC2)c([O-])c1C ZINC000436607883 297017755 /nfs/dbraw/zinc/01/77/55/297017755.db2.gz UGHAZZGQQLBQLD-UHFFFAOYSA-N -1 3 318.417 2.563 20 0 DFADHM CCOC(=O)C1CCC(N(CC)C(=O)c2ccccc2[O-])CC1 ZINC000436618348 297018816 /nfs/dbraw/zinc/01/88/16/297018816.db2.gz NHSWQYOHJRYLIY-UHFFFAOYSA-N -1 3 319.401 2.976 20 0 DFADHM COc1ccc(C)cc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436637892 297020155 /nfs/dbraw/zinc/02/01/55/297020155.db2.gz CQSMOHOOWRVHSO-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM COc1ccc2c(c1)CCC[C@H]2NC(=O)c1c([O-])cccc1O ZINC000436645197 297020372 /nfs/dbraw/zinc/02/03/72/297020372.db2.gz BIDTVVQDQVOTQO-CQSZACIVSA-N -1 3 313.353 2.914 20 0 DFADHM O=C(N[C@H]1COc2ccc(Cl)cc21)c1c([O-])cccc1O ZINC000436645995 297021018 /nfs/dbraw/zinc/02/10/18/297021018.db2.gz FSTBTYJNPWMOIJ-JTQLQIEISA-N -1 3 305.717 2.615 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC(CC(F)(F)F)CC1 ZINC000436666425 297022971 /nfs/dbraw/zinc/02/29/71/297022971.db2.gz PSPVWUVJPMUAPT-UHFFFAOYSA-N -1 3 303.280 2.902 20 0 DFADHM CC[C@H](CO)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436677415 297023979 /nfs/dbraw/zinc/02/39/79/297023979.db2.gz CMWJBXOHWJVHOS-MRXNPFEDSA-N -1 3 313.397 2.678 20 0 DFADHM Cc1nn(-c2ccccc2)cc1NC(=O)c1c([O-])cccc1O ZINC000436677552 297023982 /nfs/dbraw/zinc/02/39/82/297023982.db2.gz DMAYFCPUCQVXIX-UHFFFAOYSA-N -1 3 309.325 2.844 20 0 DFADHM COc1ccc(C(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)c([O-])c1 ZINC000436696087 297025493 /nfs/dbraw/zinc/02/54/93/297025493.db2.gz HQMBFQHQTLCXJS-GJZGRUSLSA-N -1 3 307.390 2.723 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2CCc3c2cccc3F)c1[O-] ZINC000436693396 297025760 /nfs/dbraw/zinc/02/57/60/297025760.db2.gz UGDUTNGRHMAZMF-CQSZACIVSA-N -1 3 301.317 2.957 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(Cn3ccnc3)cn2)c([O-])c1 ZINC000436698585 297026043 /nfs/dbraw/zinc/02/60/43/297026043.db2.gz QIHVEIXVSXMRJU-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM Cc1ccc(C(=O)N[C@H](CO)c2ccc(F)cc2)c([O-])c1C ZINC000436702693 297026421 /nfs/dbraw/zinc/02/64/21/297026421.db2.gz JASUGZQQLILTSS-OAHLLOKOSA-N -1 3 303.333 2.612 20 0 DFADHM COc1cccc(C(=O)NCCC2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000436704006 297026471 /nfs/dbraw/zinc/02/64/71/297026471.db2.gz NPCJWEQEIYQNAL-VXGBXAGGSA-N -1 3 307.390 2.724 20 0 DFADHM CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2[O-])nc1C ZINC000436745708 297031022 /nfs/dbraw/zinc/03/10/22/297031022.db2.gz VPJRAVASKKUTPQ-UHFFFAOYSA-N -1 3 320.370 2.895 20 0 DFADHM COc1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])c(OC)c1 ZINC000436748852 297031560 /nfs/dbraw/zinc/03/15/60/297031560.db2.gz VOATWUSMWVKNJU-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM CC[C@H](C)N[C@H](CNC(=O)c1cc(F)ccc1[O-])c1ccco1 ZINC000436712628 297027295 /nfs/dbraw/zinc/02/72/95/297027295.db2.gz GUUKBMYMPNOGFS-SMDDNHRTSA-N -1 3 320.364 2.984 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC(Cc2cccnc2)CC1 ZINC000436711495 297027398 /nfs/dbraw/zinc/02/73/98/297027398.db2.gz IPTFDNJVRIUKFI-UHFFFAOYSA-N -1 3 312.369 2.588 20 0 DFADHM COc1cccc(C(=O)N2CCc3ccc(F)c(F)c3C2)c1[O-] ZINC000436721333 297028344 /nfs/dbraw/zinc/02/83/44/297028344.db2.gz JBVHKKXPRXEPLU-UHFFFAOYSA-N -1 3 319.307 2.878 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@](CO)(C(C)C)C2)c([O-])c1 ZINC000436728490 297028847 /nfs/dbraw/zinc/02/88/47/297028847.db2.gz ADNHTVFAUXENQP-GOSISDBHSA-N -1 3 305.418 2.825 20 0 DFADHM COCCOc1ccccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000436725290 297028923 /nfs/dbraw/zinc/02/89/23/297028923.db2.gz XGIJKUDKAPGJRH-UHFFFAOYSA-N -1 3 317.341 2.678 20 0 DFADHM Cc1ccc([O-])c(C(=O)NC[C@H](C)N2CCc3ccccc32)c1 ZINC000436726746 297029039 /nfs/dbraw/zinc/02/90/39/297029039.db2.gz YYDSKBGXLFKQRJ-AWEZNQCLSA-N -1 3 310.397 2.882 20 0 DFADHM COCCN(C(=O)c1cc(OC)ccc1[O-])[C@@H]1CCC[C@@H]1C ZINC000436732873 297029309 /nfs/dbraw/zinc/02/93/09/297029309.db2.gz SIUQYBJVZKNGDH-SWLSCSKDSA-N -1 3 307.390 2.678 20 0 DFADHM CN(C)c1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)nc1 ZINC000436743206 297030389 /nfs/dbraw/zinc/03/03/89/297030389.db2.gz YQEGGMUCKGOANX-UHFFFAOYSA-N -1 3 311.385 2.984 20 0 DFADHM CSCc1ccc(CNC(=O)c2c([O-])cccc2O)cc1 ZINC000436740989 297030549 /nfs/dbraw/zinc/03/05/49/297030549.db2.gz UKHNOPFFBAUUND-UHFFFAOYSA-N -1 3 303.383 2.891 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2c3ccc(F)cc3O[C@@H]2C)c1[O-] ZINC000436743536 297030587 /nfs/dbraw/zinc/03/05/87/297030587.db2.gz HJQJLXPJCYHKPN-PSLIRLAXSA-N -1 3 317.316 2.792 20 0 DFADHM C[C@H]1[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCN1C ZINC000436770893 297033371 /nfs/dbraw/zinc/03/33/71/297033371.db2.gz VSMBANLTOMEHNL-UWVGGRQHSA-N -1 3 316.323 2.576 20 0 DFADHM CC(C)COCCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436777204 297033877 /nfs/dbraw/zinc/03/38/77/297033877.db2.gz LWMDPGHKIYFGAX-UHFFFAOYSA-N -1 3 321.417 2.898 20 0 DFADHM CCCN(CC(F)F)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436784366 297033959 /nfs/dbraw/zinc/03/39/59/297033959.db2.gz XCQYPTZROMGTEF-UHFFFAOYSA-N -1 3 303.305 2.527 20 0 DFADHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H](C)C1 ZINC000436792102 297034558 /nfs/dbraw/zinc/03/45/58/297034558.db2.gz MFKMPGHXXODUQB-HUBLWGQQSA-N -1 3 322.836 2.848 20 0 DFADHM CCc1ccc(C(=O)NCc2cn3ccc(C)cc3n2)c([O-])c1 ZINC000436808700 297036039 /nfs/dbraw/zinc/03/60/39/297036039.db2.gz QDTTVPONJCFOOT-UHFFFAOYSA-N -1 3 309.369 2.841 20 0 DFADHM CCc1ccc(C(=O)NCC[C@@H](OC)C(F)(F)F)c([O-])c1 ZINC000436815561 297036538 /nfs/dbraw/zinc/03/65/38/297036538.db2.gz LLVPWZLTEBJEFH-GFCCVEGCSA-N -1 3 305.296 2.652 20 0 DFADHM CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436813498 297036693 /nfs/dbraw/zinc/03/66/93/297036693.db2.gz PBTAZEUYYDPFCI-CYBMUJFWSA-N -1 3 312.360 2.521 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)CCC2CC2)c([O-])c1 ZINC000436819638 297036932 /nfs/dbraw/zinc/03/69/32/297036932.db2.gz DRMUEFGXHBCUMF-CYBMUJFWSA-N -1 3 318.417 2.515 20 0 DFADHM CCNC(=O)[C@H](C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436824927 297037606 /nfs/dbraw/zinc/03/76/06/297037606.db2.gz JDTKUFHMWDSNIW-LBPRGKRZSA-N -1 3 320.433 2.893 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@]3(CCCOC3)C2)c([O-])c1 ZINC000436833063 297038304 /nfs/dbraw/zinc/03/83/04/297038304.db2.gz KURRBQIHWJBVIJ-SFHVURJKSA-N -1 3 303.402 2.987 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(OCCO)cc2)c([O-])c1 ZINC000436833846 297038643 /nfs/dbraw/zinc/03/86/43/297038643.db2.gz NBMAMNJMXBRKGL-UHFFFAOYSA-N -1 3 301.342 2.578 20 0 DFADHM CO[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC[C@H]1C ZINC000436837281 297038890 /nfs/dbraw/zinc/03/88/90/297038890.db2.gz HFUCZXSZSKEFPZ-BXUZGUMPSA-N -1 3 319.401 2.603 20 0 DFADHM CCc1ccc(C(=O)NC[C@H](O)CCc2ccccc2)c([O-])c1 ZINC000436838125 297038911 /nfs/dbraw/zinc/03/89/11/297038911.db2.gz IANUOAGBFLKLSF-MRXNPFEDSA-N -1 3 313.397 2.678 20 0 DFADHM COCC[C@@H](Cc1ccco1)NC(=O)c1cccc(C)c1[O-] ZINC000436840939 297039121 /nfs/dbraw/zinc/03/91/21/297039121.db2.gz YDBMFEIUBVVQKC-ZDUSSCGKSA-N -1 3 303.358 2.671 20 0 DFADHM COCC[C@H](Cc1ccco1)NC(=O)c1cccc(C)c1[O-] ZINC000436840938 297039331 /nfs/dbraw/zinc/03/93/31/297039331.db2.gz YDBMFEIUBVVQKC-CYBMUJFWSA-N -1 3 303.358 2.671 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1[O-] ZINC000436854316 297039902 /nfs/dbraw/zinc/03/99/02/297039902.db2.gz UIFPDRZFPUVXMK-UHFFFAOYSA-N -1 3 301.317 2.706 20 0 DFADHM CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436850769 297040204 /nfs/dbraw/zinc/04/02/04/297040204.db2.gz APQSXDMJYWECPX-UHFFFAOYSA-N -1 3 319.401 2.834 20 0 DFADHM CS[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@@H]1N(C)C ZINC000436905270 297043511 /nfs/dbraw/zinc/04/35/11/297043511.db2.gz HMYLZYHCSAEGKS-GOEBONIOSA-N -1 3 322.474 2.633 20 0 DFADHM O=C(N[C@@H]1Cc2cccc(O)c2C1)c1cc2c(cc1[O-])CCCC2 ZINC000436882173 297041759 /nfs/dbraw/zinc/04/17/59/297041759.db2.gz XLNYHYKWZZYICO-OAHLLOKOSA-N -1 3 323.392 2.874 20 0 DFADHM O=C(c1ccccc1[O-])N1CCN(CC23CCC(CC2)C3)CC1 ZINC000436893768 297042712 /nfs/dbraw/zinc/04/27/12/297042712.db2.gz OWYKRLFRENADNT-UHFFFAOYSA-N -1 3 314.429 2.730 20 0 DFADHM CCc1ccc(C(=O)NCCOc2ncccc2Cl)c([O-])c1 ZINC000436827319 297037542 /nfs/dbraw/zinc/03/75/42/297037542.db2.gz DIOCJPVUWWZMBB-UHFFFAOYSA-N -1 3 320.776 2.812 20 0 DFADHM Cc1cc(C(=O)NCc2ccc(OC(C)C)nc2)ccc1[O-] ZINC000436907407 297044064 /nfs/dbraw/zinc/04/40/64/297044064.db2.gz YLMGOSYLUWNHFB-UHFFFAOYSA-N -1 3 300.358 2.813 20 0 DFADHM Cc1cccc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)c1[O-] ZINC000436924533 297044807 /nfs/dbraw/zinc/04/48/07/297044807.db2.gz GJKIBSMRFGZMTK-ZDUSSCGKSA-N -1 3 301.317 2.573 20 0 DFADHM Cc1cccc(N(CCC(N)=O)C(=O)c2ccc([O-])c(C)c2)c1 ZINC000436929490 297045225 /nfs/dbraw/zinc/04/52/25/297045225.db2.gz ZJRXQODKTDWKJA-UHFFFAOYSA-N -1 3 312.369 2.531 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC(OC)CC2)c([O-])c1 ZINC000436974362 297048866 /nfs/dbraw/zinc/04/88/66/297048866.db2.gz YFVXTRRWXLOJQW-UHFFFAOYSA-N -1 3 307.390 2.822 20 0 DFADHM Cn1nnc2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc21 ZINC000436974536 297048907 /nfs/dbraw/zinc/04/89/07/297048907.db2.gz ZLDIAYMGXCSIJU-UHFFFAOYSA-N -1 3 302.721 2.580 20 0 DFADHM CC[C@H](CC(F)(F)F)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436983278 297049890 /nfs/dbraw/zinc/04/98/90/297049890.db2.gz WLOPKYNRIKNSQR-SECBINFHSA-N -1 3 318.295 2.811 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2cn[nH]c2)c([O-])c1 ZINC000436986530 297050201 /nfs/dbraw/zinc/05/02/01/297050201.db2.gz KBMAQQSVCBZBFY-NSHDSACASA-N -1 3 303.362 2.785 20 0 DFADHM CCCCOc1ccc(C(=O)N2CC[C@@](O)(CC)C2)c([O-])c1 ZINC000436984816 297050302 /nfs/dbraw/zinc/05/03/02/297050302.db2.gz BFFZJDPKTDEYSQ-KRWDZBQOSA-N -1 3 307.390 2.558 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000436990961 297050927 /nfs/dbraw/zinc/05/09/27/297050927.db2.gz RPXOZLCEYQVHSP-DMDPSCGWSA-N -1 3 304.390 2.905 20 0 DFADHM COc1cccc(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)c1[O-] ZINC000437002519 297052083 /nfs/dbraw/zinc/05/20/83/297052083.db2.gz YLMOTDZISOKPNK-OAHLLOKOSA-N -1 3 317.389 2.652 20 0 DFADHM COc1cc2c(c(CN3CCC[C@H](C(=O)[O-])[C@@H]3C)c1)O[C@@H](C)C2 ZINC000263090762 295030137 /nfs/dbraw/zinc/03/01/37/295030137.db2.gz UIUHLBDFVUMAPG-MKBNYLNASA-N -1 3 319.401 2.704 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)c1ccnc(OC2CCC2)c1 ZINC000154182998 295293906 /nfs/dbraw/zinc/29/39/06/295293906.db2.gz GEBXYFPNUGCTER-UHFFFAOYSA-N -1 3 316.332 2.788 20 0 DFADHM CN(CCCn1ccnc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000154844766 295307612 /nfs/dbraw/zinc/30/76/12/295307612.db2.gz OPTSHQBIDMSESP-UHFFFAOYSA-N -1 3 309.369 2.904 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCCO1 ZINC000155232922 295315424 /nfs/dbraw/zinc/31/54/24/295315424.db2.gz KCJHRCSFVIBGFY-NSHDSACASA-N -1 3 300.152 2.662 20 0 DFADHM COc1cccc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)c1[O-] ZINC000155347084 295317164 /nfs/dbraw/zinc/31/71/64/295317164.db2.gz MWMLFGBIIIZMNT-UHFFFAOYSA-N -1 3 324.340 2.747 20 0 DFADHM O=C(COCCc1ccccc1)N1CCCc2cccc([O-])c21 ZINC000155589775 295321786 /nfs/dbraw/zinc/32/17/86/295321786.db2.gz BAULDZMFQYZVTK-UHFFFAOYSA-N -1 3 311.381 2.931 20 0 DFADHM Cc1noc2ncc(C(=O)N3CCCc4cccc([O-])c43)cc12 ZINC000155646476 295322503 /nfs/dbraw/zinc/32/25/03/295322503.db2.gz OMEZVRNWGMAZBE-UHFFFAOYSA-N -1 3 309.325 2.830 20 0 DFADHM Cc1ccc(CNC(=O)c2c[n-]nn2)c(O[C@H](C)CC(C)C)c1 ZINC000157604947 295350821 /nfs/dbraw/zinc/35/08/21/295350821.db2.gz TVYPQCINWPDFHT-CYBMUJFWSA-N -1 3 316.405 2.857 20 0 DFADHM Cc1ccc(CNC(=O)c2cnn[n-]2)c(O[C@H](C)CC(C)C)c1 ZINC000157604947 295350823 /nfs/dbraw/zinc/35/08/23/295350823.db2.gz TVYPQCINWPDFHT-CYBMUJFWSA-N -1 3 316.405 2.857 20 0 DFADHM Cc1ccc(CNC(=O)c2cn[n-]n2)c(O[C@H](C)CC(C)C)c1 ZINC000157604947 295350824 /nfs/dbraw/zinc/35/08/24/295350824.db2.gz TVYPQCINWPDFHT-CYBMUJFWSA-N -1 3 316.405 2.857 20 0 DFADHM CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000157946356 295356027 /nfs/dbraw/zinc/35/60/27/295356027.db2.gz RMQKZGVQGUVAHG-UHFFFAOYSA-N -1 3 313.357 2.931 20 0 DFADHM COc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1[O-] ZINC000158817103 295367735 /nfs/dbraw/zinc/36/77/35/295367735.db2.gz SPNOIWZBAAIZGS-UHFFFAOYSA-N -1 3 313.313 2.538 20 0 DFADHM C[C@@H]1CC([N-]S(=O)(=O)c2cccc(Cl)c2F)C[C@@H](C)O1 ZINC000162865134 295417818 /nfs/dbraw/zinc/41/78/18/295417818.db2.gz ATPPELVRHGCWPV-RKDXNWHRSA-N -1 3 321.801 2.713 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1CCC[C@@H](OC)C1 ZINC000410624292 295511531 /nfs/dbraw/zinc/51/15/31/295511531.db2.gz LIVUNCYIGRJOHK-GHMZBOCLSA-N -1 3 324.377 2.557 20 0 DFADHM CC[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)C1CCCC1 ZINC000411060369 295522226 /nfs/dbraw/zinc/52/22/26/295522226.db2.gz GSPBRMLDNFTYPG-HNNXBMFYSA-N -1 3 305.422 2.817 20 0 DFADHM CCc1cccc(N(C)C(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000411092248 295524255 /nfs/dbraw/zinc/52/42/55/295524255.db2.gz IGHKELPRQJJMPQ-UHFFFAOYSA-N -1 3 313.401 2.957 20 0 DFADHM CCC(CC)(CC)CNC(=O)c1c[n-]c2ccncc2c1=O ZINC000412186703 295598292 /nfs/dbraw/zinc/59/82/92/295598292.db2.gz SPJPMZABLZCQSK-UHFFFAOYSA-N -1 3 301.390 2.869 20 0 DFADHM CC(C)C[C@H](C(N)=O)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000412319779 295612049 /nfs/dbraw/zinc/61/20/49/295612049.db2.gz KSJMYESBCGPIHO-GFCCVEGCSA-N -1 3 306.406 2.776 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc([O-])c(COC(C)C)c2)nn1 ZINC000412351811 295614920 /nfs/dbraw/zinc/61/49/20/295614920.db2.gz BPFGTHUJHBDBOR-UHFFFAOYSA-N -1 3 301.346 2.668 20 0 DFADHM COc1cccc(C(=O)N2CCSC3(CCC3)CC2)c1[O-] ZINC000412451064 295624581 /nfs/dbraw/zinc/62/45/81/295624581.db2.gz JANKXZWRSZDYBW-UHFFFAOYSA-N -1 3 307.415 2.903 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCSC3(CCC3)CC2)c1 ZINC000412455059 295625379 /nfs/dbraw/zinc/62/53/79/295625379.db2.gz SEKWSCQOJRZYSZ-UHFFFAOYSA-N -1 3 307.415 2.903 20 0 DFADHM CO[C@@](C)([C@H](C)NC(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000412593954 295636825 /nfs/dbraw/zinc/63/68/25/295636825.db2.gz MWDGSQWLKNKHFM-QFYYESIMSA-N -1 3 311.809 2.908 20 0 DFADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@@H](O)C(C)C ZINC000412717424 295650296 /nfs/dbraw/zinc/65/02/96/295650296.db2.gz LORPTQMTAQPJCL-YOEHRIQHSA-N -1 3 311.397 2.766 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@@H](C)[C@@H](C)O1 ZINC000438388333 297091386 /nfs/dbraw/zinc/09/13/86/297091386.db2.gz ARNHUVVALGUTII-FRRDWIJNSA-N -1 3 303.402 2.909 20 0 DFADHM COc1cnccc1[C@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000438616206 297101878 /nfs/dbraw/zinc/10/18/78/297101878.db2.gz DDQSOEPMIREMAG-LBPRGKRZSA-N -1 3 300.358 2.904 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)Nc3cnn(C(F)F)c3)c[n-]c12 ZINC000438646247 297102293 /nfs/dbraw/zinc/10/22/93/297102293.db2.gz GCWGEOJVBOPTNL-UHFFFAOYSA-N -1 3 318.283 2.680 20 0 DFADHM CCOCc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000438720301 297103165 /nfs/dbraw/zinc/10/31/65/297103165.db2.gz XIFIJSRUHHWSKF-HNNXBMFYSA-N -1 3 313.419 2.534 20 0 DFADHM C[C@H](NC(=O)c1ccc2n[n-]nc2c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000438976797 297109833 /nfs/dbraw/zinc/10/98/33/297109833.db2.gz IYHSSUMVOHKZNH-RLFDGXBXSA-N -1 3 322.368 2.641 20 0 DFADHM CO[C@@H](CNC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000439062815 297113654 /nfs/dbraw/zinc/11/36/54/297113654.db2.gz YPZMEFIXPSWZQF-HNNXBMFYSA-N -1 3 321.760 2.869 20 0 DFADHM CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000439507094 297130008 /nfs/dbraw/zinc/13/00/08/297130008.db2.gz FXNUFYIUVJWCMK-SGTLLEGYSA-N -1 3 305.418 2.798 20 0 DFADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C1(C)C ZINC000440388974 297151527 /nfs/dbraw/zinc/15/15/27/297151527.db2.gz HCBOHCFTWMIMFR-WDEREUQCSA-N -1 3 321.801 2.571 20 0 DFADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1cccc(OC(F)(F)F)c1 ZINC000441794339 297189440 /nfs/dbraw/zinc/18/94/40/297189440.db2.gz WPIXVRRCHBPCMZ-QMMMGPOBSA-N -1 3 323.278 2.798 20 0 DFADHM COc1cc(C(=O)N[C@H](C)c2ccccc2OC)ccc1[O-] ZINC000442646848 297198984 /nfs/dbraw/zinc/19/89/84/297198984.db2.gz IFZOSLLRVYENBS-LLVKDONJSA-N -1 3 301.342 2.900 20 0 DFADHM COc1cc(C(=O)NC2(c3ccc(F)cc3)CC2)ccc1[O-] ZINC000442646089 297199113 /nfs/dbraw/zinc/19/91/13/297199113.db2.gz FQEIPLBMMGVHJM-UHFFFAOYSA-N -1 3 301.317 2.959 20 0 DFADHM COc1ccc([C@H](C)NC(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000442664007 297199895 /nfs/dbraw/zinc/19/98/95/297199895.db2.gz YGUVBLANNHNYHG-NSHDSACASA-N -1 3 301.342 2.900 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)ccc1[O-] ZINC000442672303 297200138 /nfs/dbraw/zinc/20/01/38/297200138.db2.gz NODKMNNDEWKOBF-KGLIPLIRSA-N -1 3 315.373 2.511 20 0 DFADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccc2ccoc2c1 ZINC000442791827 297206173 /nfs/dbraw/zinc/20/61/73/297206173.db2.gz KLSLZFIWQJGSBW-UHFFFAOYSA-N -1 3 310.309 2.507 20 0 DFADHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442799700 297207049 /nfs/dbraw/zinc/20/70/49/297207049.db2.gz KUOQEWLITCXZMF-IONNQARKSA-N -1 3 305.252 2.654 20 0 DFADHM CCCCn1cc(CNC(=O)c2ccc([O-])c(OC)c2)c(C)n1 ZINC000442802807 297207529 /nfs/dbraw/zinc/20/75/29/297207529.db2.gz QWNHMZLTPIEDBQ-UHFFFAOYSA-N -1 3 317.389 2.636 20 0 DFADHM COc1cc(C(=O)N(C)C[C@@H](C)c2nccs2)ccc1[O-] ZINC000442804490 297207554 /nfs/dbraw/zinc/20/75/54/297207554.db2.gz WXVGULREIGONDR-SNVBAGLBSA-N -1 3 306.387 2.733 20 0 DFADHM COc1ccc([O-])c(C(=O)NCCc2ccc3[nH]ccc3c2)c1 ZINC000442988831 297212553 /nfs/dbraw/zinc/21/25/53/297212553.db2.gz GYZJDLMZOHLBPG-UHFFFAOYSA-N 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CCCO[N-]C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496058199 300013242 /nfs/dbraw/zinc/01/32/42/300013242.db2.gz UIRONKIMABOQSM-UHFFFAOYSA-N -1 3 314.426 2.872 20 0 DFADHM C[C@@H]1CC[C@H](NCc2ncccc2[O-])CN1C(=O)OC(C)(C)C ZINC000496164947 300024064 /nfs/dbraw/zinc/02/40/64/300024064.db2.gz CSVKFMKTWNSREC-OLZOCXBDSA-N -1 3 321.421 2.665 20 0 DFADHM C[C@@H]1CC[C@@H](NCc2ncccc2[O-])CN1C(=O)OC(C)(C)C ZINC000496164946 300024106 /nfs/dbraw/zinc/02/41/06/300024106.db2.gz CSVKFMKTWNSREC-CHWSQXEVSA-N -1 3 321.421 2.665 20 0 DFADHM CC(C)(C)OC(=O)NCCCOC(=O)c1cc([O-])ccc1F ZINC000496678417 300097371 /nfs/dbraw/zinc/09/73/71/300097371.db2.gz DDXRWIXVVCZDGB-UHFFFAOYSA-N -1 3 313.325 2.603 20 0 DFADHM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1ncccc1[O-] ZINC000496832267 300120484 /nfs/dbraw/zinc/12/04/84/300120484.db2.gz YJRWOOKXDPBRRB-CHWSQXEVSA-N -1 3 321.421 2.713 20 0 DFADHM CC(C)(C)OC(=O)N1CC=C(C(=O)[N-]OC2CCCCC2)CC1 ZINC000497032519 300150080 /nfs/dbraw/zinc/15/00/80/300150080.db2.gz 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300236670 /nfs/dbraw/zinc/23/66/70/300236670.db2.gz FSKJZTJGRUGAKI-AAEUAGOBSA-N -1 3 300.399 2.714 20 0 DFADHM COc1ccc([O-])c(C(=O)NCCOc2cc(C)cc(C)c2)c1 ZINC000508263219 300238565 /nfs/dbraw/zinc/23/85/65/300238565.db2.gz HKZCVEJKBJFYLI-UHFFFAOYSA-N -1 3 315.369 2.826 20 0 DFADHM CCn1cc(S(=O)(=O)[N-]CC(C)(C)C2=CCCC2)nc1C ZINC000515046861 300286432 /nfs/dbraw/zinc/28/64/32/300286432.db2.gz CZLARNSKLGSPLJ-UHFFFAOYSA-N -1 3 311.451 2.626 20 0 DFADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc2c(cc1Cl)OCCO2 ZINC000515066446 300288839 /nfs/dbraw/zinc/28/88/39/300288839.db2.gz RUHHGAOMMIAZRY-JTQLQIEISA-N -1 3 313.781 2.796 20 0 DFADHM CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000515808888 300321090 /nfs/dbraw/zinc/32/10/90/300321090.db2.gz NUVDJBXMCVTLBF-LDYMZIIASA-N -1 3 300.152 2.518 20 0 DFADHM CN(C)c1ccccc1CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000516077144 300328635 /nfs/dbraw/zinc/32/86/35/300328635.db2.gz XUOUGGQQJKVIJO-AWEZNQCLSA-N -1 3 316.323 2.592 20 0 DFADHM 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ZINC000426654510 316823312 /nfs/dbraw/zinc/82/33/12/316823312.db2.gz MAPOOESYBUNIMH-INIZCTEOSA-N -1 3 303.333 2.625 20 0 DFADHM CC[C@H](CNCc1nc2ccc(Cl)cc2n1C)CC(=O)[O-] ZINC000426656415 316823840 /nfs/dbraw/zinc/82/38/40/316823840.db2.gz XWMUKBILAFVLJB-JTQLQIEISA-N -1 3 309.797 2.817 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCCc1ccc(Cl)cc1 ZINC000427138423 316834862 /nfs/dbraw/zinc/83/48/62/316834862.db2.gz XAQNFCOMQHWHLQ-UHFFFAOYSA-N -1 3 321.764 2.811 20 0 DFADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000442767432 316943026 /nfs/dbraw/zinc/94/30/26/316943026.db2.gz MTKXFFYGISGQBW-PWSUYJOCSA-N -1 3 302.827 2.982 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C1CC1 ZINC000443981920 316965963 /nfs/dbraw/zinc/96/59/63/316965963.db2.gz BIQYDFCGUZIRRZ-SSDOTTSWSA-N -1 3 311.300 2.921 20 0 DFADHM CCOc1cnc(-c2noc(-c3cc(CC)ccc3[O-])n2)cn1 ZINC000445291106 316988758 /nfs/dbraw/zinc/98/87/58/316988758.db2.gz BCBGEOOSXUYSHS-UHFFFAOYSA-N -1 3 312.329 2.860 20 0 DFADHM O=S(=O)([N-]CCCCc1ccc(F)c(F)c1)c1ccco1 ZINC000445729686 316992157 /nfs/dbraw/zinc/99/21/57/316992157.db2.gz BCYVLEPAFYBXAT-UHFFFAOYSA-N -1 3 315.341 2.859 20 0 DFADHM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000450058203 317056641 /nfs/dbraw/zinc/05/66/41/317056641.db2.gz QIQAPMDLSKEJKX-DYVFJYSZSA-N -1 3 309.381 2.641 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)NCCC[C@@H]1CCCC[C@@H]1O ZINC000450174829 317066166 /nfs/dbraw/zinc/06/61/66/317066166.db2.gz USVVPULWPJVMIT-ZFWWWQNUSA-N -1 3 309.381 2.521 20 0 DFADHM COc1cccc(NC(=O)c2coc3c2C(=O)CCC3)c1[O-] ZINC000450491324 317095826 /nfs/dbraw/zinc/09/58/26/317095826.db2.gz WOTCTJIURFBIQU-UHFFFAOYSA-N -1 3 301.298 2.765 20 0 DFADHM Cc1cccc2c1O[C@H](C(=O)N1CCCc3cccc([O-])c31)C2 ZINC000450510820 317103652 /nfs/dbraw/zinc/10/36/52/317103652.db2.gz IVSXVWRXBLKXSL-INIZCTEOSA-N -1 3 309.365 2.984 20 0 DFADHM CCCCOc1ccc(C(=O)N2CC(C)(OCC)C2)c([O-])c1 ZINC000452276032 317128203 /nfs/dbraw/zinc/12/82/03/317128203.db2.gz KIEILICMSCCLLL-UHFFFAOYSA-N -1 3 307.390 2.822 20 0 DFADHM Cc1ncccc1NC(=O)[C@H](C)NCc1cccc([O-])c1Cl ZINC000453617030 317193388 /nfs/dbraw/zinc/19/33/88/317193388.db2.gz SHNHGXROVJKKRJ-NSHDSACASA-N -1 3 319.792 2.866 20 0 DFADHM O=C([O-])c1ccc(CN2CCC(Oc3ccccn3)CC2)cc1 ZINC000455614488 317210480 /nfs/dbraw/zinc/21/04/80/317210480.db2.gz CWVZGHKKKZFEKR-UHFFFAOYSA-N -1 3 312.369 2.823 20 0 DFADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2C[C@@H](OC)C23CCC3)c1 ZINC000456652941 317239725 /nfs/dbraw/zinc/23/97/25/317239725.db2.gz RNNUEKPQYQTJIT-HZPDHXFCSA-N -1 3 303.402 2.984 20 0 DFADHM COCCN(Cc1cccc([O-])c1Br)C1CC1 ZINC000459304936 317316456 /nfs/dbraw/zinc/31/64/56/317316456.db2.gz POXUAHOQOZODSC-UHFFFAOYSA-N -1 3 300.196 2.766 20 0 DFADHM CCOC(=O)[C@@H](C)N(C)Cc1cccc([O-])c1Br ZINC000459338499 317320944 /nfs/dbraw/zinc/32/09/44/317320944.db2.gz CAPBZIIWPHSKII-SECBINFHSA-N -1 3 316.195 2.538 20 0 DFADHM CCO[C@H]1C[C@@H](N(C)Cc2cc(=O)[n-]c(C3CC3)n2)C12CCC2 ZINC000459365134 317322257 /nfs/dbraw/zinc/32/22/57/317322257.db2.gz MKAUYENLTKLKDA-CABCVRRESA-N -1 3 317.433 2.839 20 0 DFADHM CN1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccc(F)cc21 ZINC000459379323 317324134 /nfs/dbraw/zinc/32/41/34/317324134.db2.gz ANVFWJKIPXRFQU-UHFFFAOYSA-N -1 3 314.364 2.655 20 0 DFADHM COC[C@H]1CCCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459513125 317328662 /nfs/dbraw/zinc/32/86/62/317328662.db2.gz OGAYNQGTDSYLKK-MRXNPFEDSA-N -1 3 313.401 2.850 20 0 DFADHM CCc1cc(C(=O)N[C@H](CO)Cc2ccc(C)cc2)ccc1[O-] ZINC000487425431 317344632 /nfs/dbraw/zinc/34/46/32/317344632.db2.gz BUIPCIOVAPLSRZ-KRWDZBQOSA-N -1 3 313.397 2.596 20 0 DFADHM CCc1cc(C(=O)N[C@@H](CO)Cc2ccccc2C)ccc1[O-] ZINC000487440141 317346153 /nfs/dbraw/zinc/34/61/53/317346153.db2.gz ORAJWFWWBBQTIT-QGZVFWFLSA-N -1 3 313.397 2.596 20 0 DFADHM CCc1cc(C(=O)Nc2cccc(C(=O)OC)c2N)ccc1[O-] ZINC000487592199 317349545 /nfs/dbraw/zinc/34/95/45/317349545.db2.gz OYPUSTPNRHPSBI-UHFFFAOYSA-N -1 3 314.341 2.576 20 0 DFADHM CC(=O)c1cccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000488519367 317399737 /nfs/dbraw/zinc/39/97/37/317399737.db2.gz GEOYJKVZYNJQFA-UHFFFAOYSA-N -1 3 310.313 2.828 20 0 DFADHM CC(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000488519367 317399741 /nfs/dbraw/zinc/39/97/41/317399741.db2.gz GEOYJKVZYNJQFA-UHFFFAOYSA-N -1 3 310.313 2.828 20 0 DFADHM CC(=O)c1cccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000488519367 317399742 /nfs/dbraw/zinc/39/97/42/317399742.db2.gz GEOYJKVZYNJQFA-UHFFFAOYSA-N -1 3 310.313 2.828 20 0 DFADHM CCc1cc(C(=O)NCc2cccc(N3CCC3=O)c2)ccc1[O-] ZINC000488559227 317403735 /nfs/dbraw/zinc/40/37/35/317403735.db2.gz IWCWNALWRPRFJE-UHFFFAOYSA-N -1 3 324.380 2.621 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C(C)C ZINC000488793406 317420845 /nfs/dbraw/zinc/42/08/45/317420845.db2.gz IUCVDZKKIBWLGQ-OLZOCXBDSA-N -1 3 300.424 2.785 20 0 DFADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Cc1cncc([O-])c1 ZINC000518396933 317712886 /nfs/dbraw/zinc/71/28/86/317712886.db2.gz KBCUOLUWCLQTRM-NSHDSACASA-N -1 3 300.333 2.615 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@@H](C)Oc2ccccc2C)c1 ZINC000525261393 317725824 /nfs/dbraw/zinc/72/58/24/317725824.db2.gz OZNQSEKYMBQGGW-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM COc1cc(C(=O)NCCOc2ccc(C)cc2C)ccc1[O-] ZINC000525954169 317734515 /nfs/dbraw/zinc/73/45/15/317734515.db2.gz SJHNGEYBQMEOBM-UHFFFAOYSA-N -1 3 315.369 2.826 20 0 DFADHM CC[C@@H](CS(=O)(=O)[N-]c1c(F)cc(C)cc1Cl)OC ZINC000530145493 317772467 /nfs/dbraw/zinc/77/24/67/317772467.db2.gz SPPKHNFFCLMIIC-VIFPVBQESA-N -1 3 309.790 2.954 20 0 DFADHM CC[C@@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2)OC ZINC000530147907 317772753 /nfs/dbraw/zinc/77/27/53/317772753.db2.gz PZQZECSRDNQPFF-LBPRGKRZSA-N -1 3 317.838 2.995 20 0 DFADHM COC(=O)CN(Cc1ccccc1)C(=O)c1ccc([O-])c(C)c1 ZINC000543713501 317832019 /nfs/dbraw/zinc/83/20/19/317832019.db2.gz HYXVTFDLHFWDPD-UHFFFAOYSA-N -1 3 313.353 2.516 20 0 DFADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000546062359 317847329 /nfs/dbraw/zinc/84/73/29/317847329.db2.gz PUCKJSPOWWFFJR-UHFFFAOYSA-N -1 3 323.356 2.753 20 0 DFADHM Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ncccc1[O-] ZINC000560369547 317896270 /nfs/dbraw/zinc/89/62/70/317896270.db2.gz YQQGWXKQGVMIRU-JTQLQIEISA-N -1 3 319.386 2.698 20 0 DFADHM CCC(CC)(C[N-]S(=O)(=O)Cc1cccc(F)c1F)OC ZINC000566163799 317941180 /nfs/dbraw/zinc/94/11/80/317941180.db2.gz AARNGKZCYAMGOI-UHFFFAOYSA-N -1 3 321.389 2.589 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@@H](c3cc(C)ccn3)C2)on1 ZINC000572972439 318009894 /nfs/dbraw/zinc/00/98/94/318009894.db2.gz XYXWWYHTIWJQRT-ZIAGYGMSSA-N -1 3 314.389 2.503 20 0 DFADHM C[C@@H]1CCN(Cc2ccc(C(F)(F)F)cn2)C[C@H]1C(=O)[O-] ZINC000573248040 318015119 /nfs/dbraw/zinc/01/51/19/318015119.db2.gz ZWHINMVLMOKGAT-BXKDBHETSA-N -1 3 302.296 2.643 20 0 DFADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1C[C@H](C)C[C@H]1C ZINC000574577834 318025835 /nfs/dbraw/zinc/02/58/35/318025835.db2.gz GCCQURGZFAXFNK-VXGBXAGGSA-N -1 3 301.390 2.985 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000574692993 318034113 /nfs/dbraw/zinc/03/41/13/318034113.db2.gz HVTMCGOROUSCDC-GDBMZVCRSA-N -1 3 303.402 2.986 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000574771956 318039994 /nfs/dbraw/zinc/03/99/94/318039994.db2.gz URQISLCDGBEIMU-DOTOQJQBSA-N -1 3 314.385 2.611 20 0 DFADHM O=S(=O)([N-]C1(c2cccc(Cl)c2)CC1)c1cscn1 ZINC000574807080 318041499 /nfs/dbraw/zinc/04/14/99/318041499.db2.gz UAZWNIKKGWAWDA-UHFFFAOYSA-N -1 3 314.819 2.764 20 0 DFADHM COc1ccc(C[C@H](C)CN(C)Cc2oncc2C(=O)[O-])cc1 ZINC000574817503 318042461 /nfs/dbraw/zinc/04/24/61/318042461.db2.gz NUSJSKSBOZYHKG-LBPRGKRZSA-N -1 3 318.373 2.692 20 0 DFADHM O=C([O-])c1cc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cs1 ZINC000574824311 318043325 /nfs/dbraw/zinc/04/33/25/318043325.db2.gz UYLSICBIIJYDTG-STQMWFEESA-N -1 3 323.439 2.716 20 0 DFADHM C[C@]1(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCCCO1 ZINC000574857163 318045003 /nfs/dbraw/zinc/04/50/03/318045003.db2.gz DAHQPXKDYXOFHB-OAHLLOKOSA-N -1 3 304.325 2.509 20 0 DFADHM [O-]c1cccc(CN2CC[C@H](OC(F)F)C2)c1Br ZINC000574967694 318053218 /nfs/dbraw/zinc/05/32/18/318053218.db2.gz DJIFVWGIDAUBAH-VIFPVBQESA-N -1 3 322.149 2.968 20 0 DFADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000574995919 318055863 /nfs/dbraw/zinc/05/58/63/318055863.db2.gz NFAODIJXVQOGFP-OKILXGFUSA-N -1 3 313.401 2.986 20 0 DFADHM CCOc1cc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1OC ZINC000575123505 318064954 /nfs/dbraw/zinc/06/49/54/318064954.db2.gz KIKJGMMUXAUHIN-TZMCWYRMSA-N -1 3 307.390 2.637 20 0 DFADHM CCN(Cc1nc(=O)n(C)[n-]1)C(c1ccccc1)c1ccccc1 ZINC000575162704 318067960 /nfs/dbraw/zinc/06/79/60/318067960.db2.gz HDBKXTUPYRZRHE-UHFFFAOYSA-N -1 3 322.412 2.720 20 0 DFADHM O=C(Nc1c([O-])cccc1Cl)c1ccnn1CC(F)F ZINC000575840204 318086477 /nfs/dbraw/zinc/08/64/77/318086477.db2.gz JFFQVBPMCHHMIP-UHFFFAOYSA-N -1 3 301.680 2.760 20 0 DFADHM Cn1c(CN[C@@H]2CCCC[C@@H]2C(=O)[O-])nc2ccc(Cl)cc21 ZINC000575923412 318091895 /nfs/dbraw/zinc/09/18/95/318091895.db2.gz KUCWORNFHBKRLJ-NWDGAFQWSA-N -1 3 321.808 2.960 20 0 DFADHM COC1(C(F)(F)F)CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000576053915 318101203 /nfs/dbraw/zinc/10/12/03/318101203.db2.gz FXXHHIVIPMALHU-UHFFFAOYSA-N -1 3 317.307 2.928 20 0 DFADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(C)o3)CCC2)n1 ZINC000576179946 318109298 /nfs/dbraw/zinc/10/92/98/318109298.db2.gz HKGFQQIASHRFTQ-UHFFFAOYSA-N -1 3 312.416 2.711 20 0 DFADHM CN(C)C[C@@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000576357087 318121083 /nfs/dbraw/zinc/12/10/83/318121083.db2.gz JFLPEBBXLLBUHM-JTQLQIEISA-N -1 3 316.323 2.577 20 0 DFADHM CC[C@@H](c1ccccc1OC)N(C)C(=O)Cc1cncc([O-])c1 ZINC000576361277 318121609 /nfs/dbraw/zinc/12/16/09/318121609.db2.gz UTGKYQMVNLKPGF-INIZCTEOSA-N -1 3 314.385 2.948 20 0 DFADHM COc1cc(OC2CC2)ccc1C(=O)Nc1ncccc1[O-] ZINC000576445074 318126329 /nfs/dbraw/zinc/12/63/29/318126329.db2.gz WWPRLCJMVLPNOQ-UHFFFAOYSA-N -1 3 300.314 2.589 20 0 DFADHM O=c1cc(CN2CCC(OC3CCCC3)CC2)nc(C2CC2)[n-]1 ZINC000577041036 318167365 /nfs/dbraw/zinc/16/73/65/318167365.db2.gz ZQIQYOUKYSZAPG-UHFFFAOYSA-N -1 3 317.433 2.983 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2cncc(CC)c2)c([O-])c1 ZINC000577180316 318176229 /nfs/dbraw/zinc/17/62/29/318176229.db2.gz FHGFOPNZGDBPMZ-UHFFFAOYSA-N -1 3 314.341 2.779 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(C)cc1C ZINC000577211517 318178653 /nfs/dbraw/zinc/17/86/53/318178653.db2.gz ABLMIXGXUIIMDN-UHFFFAOYSA-N -1 3 301.346 2.764 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(C)cc1C ZINC000577211517 318178657 /nfs/dbraw/zinc/17/86/57/318178657.db2.gz ABLMIXGXUIIMDN-UHFFFAOYSA-N -1 3 301.346 2.764 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000577765678 318215844 /nfs/dbraw/zinc/21/58/44/318215844.db2.gz IWFXGTYLRUDGSK-JTQLQIEISA-N -1 3 319.386 2.624 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000577765678 318215845 /nfs/dbraw/zinc/21/58/45/318215845.db2.gz IWFXGTYLRUDGSK-JTQLQIEISA-N -1 3 319.386 2.624 20 0 DFADHM COc1cc(C(=O)N2CC[C@H](Oc3ccccc3)C2)ccc1[O-] ZINC000577852569 318221392 /nfs/dbraw/zinc/22/13/92/318221392.db2.gz GLUYXRLXFZFNAU-HNNXBMFYSA-N -1 3 313.353 2.694 20 0 DFADHM CCn1c(CN2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)nc2cc(F)ccc21 ZINC000577857787 318222292 /nfs/dbraw/zinc/22/22/92/318222292.db2.gz NVBXQSKCWCHHED-DIFFPNOSSA-N -1 3 319.380 2.738 20 0 DFADHM CC[C@H](NC(=O)Cc1cncc([O-])c1)c1cc(F)ccc1F ZINC000577886646 318224479 /nfs/dbraw/zinc/22/44/79/318224479.db2.gz QYCRPDBEBUQWOJ-HNNXBMFYSA-N -1 3 306.312 2.875 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N1Cc2cccnc2C1 ZINC000578007842 318231853 /nfs/dbraw/zinc/23/18/53/318231853.db2.gz PJDFAGZKODPDEY-UHFFFAOYSA-N -1 3 300.333 2.791 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@@H]1Cc1ccccc1 ZINC000578204712 318244978 /nfs/dbraw/zinc/24/49/78/318244978.db2.gz YQWMRRYNZKHTDF-CQSZACIVSA-N -1 3 309.369 2.517 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(C)(C)C ZINC000578241304 318248189 /nfs/dbraw/zinc/24/81/89/318248189.db2.gz BZVIWDIFKCPNND-MRVPVSSYSA-N -1 3 310.341 2.813 20 0 DFADHM COc1cc(-c2noc(-c3cnn(C)c3C(F)F)n2)ccc1[O-] ZINC000578491459 318264003 /nfs/dbraw/zinc/26/40/03/318264003.db2.gz UFEPFBKQSMGGKT-UHFFFAOYSA-N -1 3 322.271 2.789 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000578660851 318276916 /nfs/dbraw/zinc/27/69/16/318276916.db2.gz YERSNZWYGZRFOU-OAHLLOKOSA-N -1 3 315.772 2.792 20 0 DFADHM COC(=O)C[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)C1CCCCC1 ZINC000578713424 318278803 /nfs/dbraw/zinc/27/88/03/318278803.db2.gz IRNVFHDIZAUHGV-TZMCWYRMSA-N -1 3 321.421 2.653 20 0 DFADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)CC1CCCC1 ZINC000578923363 318295256 /nfs/dbraw/zinc/29/52/56/318295256.db2.gz CKVLTRZZEUIRSH-ZUZCIYMTSA-N -1 3 313.394 2.757 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@H]2CC23CCSCC3)c1 ZINC000579224146 318315393 /nfs/dbraw/zinc/31/53/93/318315393.db2.gz CLIJYYOUYIRTLT-LLVKDONJSA-N -1 3 307.415 2.664 20 0 DFADHM Cc1c2ccccc2nc(N2CCN(C(C)C)CC2)c1C(=O)[O-] ZINC000579235816 318316537 /nfs/dbraw/zinc/31/65/37/318316537.db2.gz IQPIFMQDHKFNRM-UHFFFAOYSA-N -1 3 313.401 2.772 20 0 DFADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1CCOc1ccc(F)cc1Cl ZINC000579250358 318317743 /nfs/dbraw/zinc/31/77/43/318317743.db2.gz WANTWECXMVCZOB-KOLCDFICSA-N -1 3 301.745 2.653 20 0 DFADHM Cc1cc([C@H](C)N2CC[C@H](COC(F)F)C2)oc1C(=O)[O-] ZINC000579254018 318318394 /nfs/dbraw/zinc/31/83/94/318318394.db2.gz VIXPLILMMNBNCN-UWVGGRQHSA-N -1 3 303.305 2.908 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cscn1)C(C)(C)c1ccccc1 ZINC000579469310 318332353 /nfs/dbraw/zinc/33/23/53/318332353.db2.gz YMJPTTRMZMHIIC-LLVKDONJSA-N -1 3 310.444 2.788 20 0 DFADHM O=C([O-])c1ccoc1CN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000579497068 318335440 /nfs/dbraw/zinc/33/54/40/318335440.db2.gz ANFIAYXXMZCRAL-GOSISDBHSA-N -1 3 313.353 2.948 20 0 DFADHM Cc1ccccc1-c1cnc(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)o1 ZINC000579724899 318350740 /nfs/dbraw/zinc/35/07/40/318350740.db2.gz UYOUAGNBOQPLHZ-GXTWGEPZSA-N -1 3 300.358 2.945 20 0 DFADHM CC(C)[C@H](NC(=O)c1csc(=O)[n-]1)c1nc2ccccc2[nH]1 ZINC000579785258 318352972 /nfs/dbraw/zinc/35/29/72/318352972.db2.gz VGRCXQLQPOQADT-LBPRGKRZSA-N -1 3 316.386 2.852 20 0 DFADHM Cc1ncc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000579809016 318355086 /nfs/dbraw/zinc/35/50/86/318355086.db2.gz YTZAHDXJHVMIML-UONOGXRCSA-N -1 3 317.776 2.564 20 0 DFADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(C(=O)OCC)nc1 ZINC000579839400 318357643 /nfs/dbraw/zinc/35/76/43/318357643.db2.gz VYLSTCVLZXKSLE-LBPRGKRZSA-N -1 3 314.407 2.579 20 0 DFADHM O=C([O-])C[C@@H]1CCCN(Cc2ccc3c(c2)OCCCCO3)C1 ZINC000579931676 318364168 /nfs/dbraw/zinc/36/41/68/318364168.db2.gz GJCOBTNUYVQWMB-AWEZNQCLSA-N -1 3 319.401 2.925 20 0 DFADHM C[C@H]1CCN(Cc2cn(C)nc2-c2cccs2)C[C@H]1C(=O)[O-] ZINC000579957492 318366095 /nfs/dbraw/zinc/36/60/95/318366095.db2.gz OSMKTGQUOUGQFH-WCQYABFASA-N -1 3 319.430 2.691 20 0 DFADHM O=C([O-])[C@@H]1c2ccccc2CCN1CCOc1cccc(F)c1 ZINC000579968161 318367249 /nfs/dbraw/zinc/36/72/49/318367249.db2.gz KOGGMZBWNFYBQY-KRWDZBQOSA-N -1 3 315.344 2.889 20 0 DFADHM O=S(=O)([N-][C@@H]1CCCCC12CCCC2)c1cscn1 ZINC000580069613 318373059 /nfs/dbraw/zinc/37/30/59/318373059.db2.gz NOSTXFXGAKUFKO-LLVKDONJSA-N -1 3 300.449 2.924 20 0 DFADHM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1c([O-])cccc1O ZINC000580266784 318386185 /nfs/dbraw/zinc/38/61/85/318386185.db2.gz YICQFSUZVJZKNZ-CJNGLKHVSA-N -1 3 313.353 2.748 20 0 DFADHM CN(CC1(c2ccccc2)CC1)C(=O)c1cccc2[n-]nnc21 ZINC000188918468 323220802 /nfs/dbraw/zinc/22/08/02/323220802.db2.gz XBTWIINCXWPMLF-UHFFFAOYSA-N -1 3 306.369 2.762 20 0 DFADHM CN(CC1(c2ccccc2)CC1)C(=O)c1cccc2nn[n-]c21 ZINC000188918468 323220804 /nfs/dbraw/zinc/22/08/04/323220804.db2.gz XBTWIINCXWPMLF-UHFFFAOYSA-N -1 3 306.369 2.762 20 0 DFADHM CN(CC1(c2ccccc2)CC1)C(=O)c1cccc2n[n-]nc21 ZINC000188918468 323220806 /nfs/dbraw/zinc/22/08/06/323220806.db2.gz XBTWIINCXWPMLF-UHFFFAOYSA-N -1 3 306.369 2.762 20 0 DFADHM COc1cccc(C(=O)Nc2cccc(CCCO)c2)c1[O-] ZINC000388633274 323331239 /nfs/dbraw/zinc/33/12/39/323331239.db2.gz LLFKONSPPNMSLE-UHFFFAOYSA-N -1 3 301.342 2.578 20 0 DFADHM O=C([O-])[C@H]1Cc2ccccc2CN1C[C@@H]1CCC2(CCCC2)O1 ZINC000391107461 323345481 /nfs/dbraw/zinc/34/54/81/323345481.db2.gz CFSBDOGXKBROFV-DLBZAZTESA-N -1 3 315.413 2.990 20 0 DFADHM C[C@H](C[N-]S(=O)(=O)c1cscn1)c1ccc(F)cc1F ZINC000581009496 323463788 /nfs/dbraw/zinc/46/37/88/323463788.db2.gz WONWZGQCFOVQHF-MRVPVSSYSA-N -1 3 318.370 2.503 20 0 DFADHM Cc1cc(C)c(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC000581140255 323481416 /nfs/dbraw/zinc/48/14/16/323481416.db2.gz KXFVEVCTNQZQNB-UHFFFAOYSA-N -1 3 311.385 2.915 20 0 DFADHM O=C([O-])c1cnc2ccccc2c1NCc1noc2c1CCCC2 ZINC000581491487 323530845 /nfs/dbraw/zinc/53/08/45/323530845.db2.gz VHEJCVWHFOUARY-UHFFFAOYSA-N -1 3 323.352 2.834 20 0 DFADHM Cc1cc(N2CCCC2)ccc1NC(=O)Cc1cncc([O-])c1 ZINC000581498636 323532344 /nfs/dbraw/zinc/53/23/44/323532344.db2.gz FNOUBYQXMIVWIQ-UHFFFAOYSA-N -1 3 311.385 2.877 20 0 DFADHM C[C@@H](CC1CCCCC1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000582340106 323652735 /nfs/dbraw/zinc/65/27/35/323652735.db2.gz LPBOFSPOZSKSSZ-ZDUSSCGKSA-N -1 3 318.417 2.597 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC000582967471 323770210 /nfs/dbraw/zinc/77/02/10/323770210.db2.gz XITWQJNHEYFJDH-GHMZBOCLSA-N -1 3 309.385 2.799 20 0 DFADHM COC[C@]1(C(=O)[O-])CCCN(c2ccnc3ccc(C)cc32)C1 ZINC000583937559 323938657 /nfs/dbraw/zinc/93/86/57/323938657.db2.gz REMDQQNKVBNUMW-SFHVURJKSA-N -1 3 314.385 2.861 20 0 DFADHM Cc1cc(C)cc(OCCCN2CCSC[C@@H]2C(=O)[O-])c1 ZINC000215273192 332218791 /nfs/dbraw/zinc/21/87/91/332218791.db2.gz KXFQEPRLFLRQMS-OAHLLOKOSA-N -1 3 309.431 2.574 20 0 DFADHM C[C@@H]1CN(Cc2coc(-c3cccs3)n2)C[C@]1(C)C(=O)[O-] ZINC000584297396 332228023 /nfs/dbraw/zinc/22/80/23/332228023.db2.gz IEXJANUSTMKMNT-BMIGLBTASA-N -1 3 306.387 2.946 20 0 DFADHM Cc1cnc([C@@H](C)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)o1 ZINC000584416247 337322422 /nfs/dbraw/zinc/32/24/22/337322422.db2.gz UGIMCLVUFSXLEB-DYVFJYSZSA-N -1 3 300.358 2.772 20 0 DFADHM O=C([O-])C[C@H](NCc1ccnn1CC1CCC1)c1ccccc1 ZINC000630453624 501070656 /nfs/dbraw/zinc/07/06/56/501070656.db2.gz SOWQUHUJORXJOC-KRWDZBQOSA-N -1 3 313.401 2.989 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)[n-]1 ZINC000292970949 534044041 /nfs/dbraw/zinc/04/40/41/534044041.db2.gz IGZFSAUSRXOGBX-UHFFFAOYSA-N -1 3 316.313 2.561 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2cnn(C)c2)c1 ZINC000331854200 534195503 /nfs/dbraw/zinc/19/55/03/534195503.db2.gz DKBLYBGLDVNKPJ-OAHLLOKOSA-N -1 3 315.373 2.502 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(F)cc4[n-]nnc43)C2)C1 ZINC000328639612 534265545 /nfs/dbraw/zinc/26/55/45/534265545.db2.gz CCWLLGSOJFEWSK-HWPZZCPQSA-N -1 3 302.353 2.749 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(F)cc4nn[n-]c43)C2)C1 ZINC000328639612 534265550 /nfs/dbraw/zinc/26/55/50/534265550.db2.gz CCWLLGSOJFEWSK-HWPZZCPQSA-N -1 3 302.353 2.749 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(F)cc4n[n-]nc43)C2)C1 ZINC000328639612 534265554 /nfs/dbraw/zinc/26/55/54/534265554.db2.gz CCWLLGSOJFEWSK-HWPZZCPQSA-N -1 3 302.353 2.749 20 0 DFADHM CC(C)n1ncc2c1[C@H](NC(=O)c1ccc3n[n-]nc3c1)CCC2 ZINC000364895129 520077422 /nfs/dbraw/zinc/07/74/22/520077422.db2.gz ABYPNGAYSOWHEF-CQSZACIVSA-N -1 3 324.388 2.543 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCO[C@H]3CCC[C@H]32)c([O-])c1 ZINC000364970993 520865570 /nfs/dbraw/zinc/86/55/70/520865570.db2.gz LBTZMLBIALQZMG-WBVHZDCISA-N -1 3 319.401 2.965 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)o2)s1 ZINC000359207869 522577860 /nfs/dbraw/zinc/57/78/60/522577860.db2.gz DBVSGSJWDIIXTL-VIFPVBQESA-N -1 3 300.405 2.646 20 0 DFADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCO1 ZINC000156127218 525849989 /nfs/dbraw/zinc/84/99/89/525849989.db2.gz OEHWRPYVCAHWOM-LBPRGKRZSA-N -1 3 324.229 2.841 20 0 DFADHM CC(C)c1ncc([N-]S(=O)(=O)CCc2ccccc2)cn1 ZINC000358490409 534901710 /nfs/dbraw/zinc/90/17/10/534901710.db2.gz BUMPMUOYTQFQPI-UHFFFAOYSA-N -1 3 305.403 2.584 20 0 DFADHM CSc1nsc([N-]C(=O)c2ccn(-c3ccccc3)n2)n1 ZINC000156050257 526234027 /nfs/dbraw/zinc/23/40/27/526234027.db2.gz BPFFORJNDPPFHK-UHFFFAOYSA-N -1 3 317.399 2.698 20 0 DFADHM O=c1[n-]nc(CN[C@H](c2nccs2)c2ccccc2)s1 ZINC000367447079 526381393 /nfs/dbraw/zinc/38/13/93/526381393.db2.gz JBRISKJZHKWOKW-NSHDSACASA-N -1 3 304.400 2.579 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000366306880 526906003 /nfs/dbraw/zinc/90/60/03/526906003.db2.gz VOHMIRFBDJXZNA-UHFFFAOYSA-N -1 3 304.346 2.917 20 0 DFADHM CC(C)(CO)ON=C([O-])Nc1cc(Cl)c(Cl)cc1F ZINC000296715720 527208634 /nfs/dbraw/zinc/20/86/34/527208634.db2.gz LMBVSJKBKSGMKX-UHFFFAOYSA-N -1 3 311.140 2.957 20 0 DFADHM CC(C)(CO)O[N-]C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000296715720 527208640 /nfs/dbraw/zinc/20/86/40/527208640.db2.gz LMBVSJKBKSGMKX-UHFFFAOYSA-N -1 3 311.140 2.957 20 0 DFADHM O=S(=O)([N-]C[C@@H]1C[C@@]12CCCc1ccccc12)c1ccco1 ZINC000364115116 527225843 /nfs/dbraw/zinc/22/58/43/527225843.db2.gz HSRMTPKYQWUSDL-YOEHRIQHSA-N -1 3 317.410 2.852 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000366418850 527240709 /nfs/dbraw/zinc/24/07/09/527240709.db2.gz XPKGTKUYQIJAEV-LBPRGKRZSA-N -1 3 319.792 2.717 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1Cc2ccccc2S1 ZINC000339499992 527495080 /nfs/dbraw/zinc/49/50/80/527495080.db2.gz WVLDLIRQWGTMCO-ZDUSSCGKSA-N -1 3 323.381 2.522 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1Cc2ccccc2S1 ZINC000339499992 527495086 /nfs/dbraw/zinc/49/50/86/527495086.db2.gz WVLDLIRQWGTMCO-ZDUSSCGKSA-N -1 3 323.381 2.522 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1Cc2ccccc2S1 ZINC000339499992 527495092 /nfs/dbraw/zinc/49/50/92/527495092.db2.gz WVLDLIRQWGTMCO-ZDUSSCGKSA-N -1 3 323.381 2.522 20 0 DFADHM [O-]c1ccc(Br)c(CNc2ccc(CO)cn2)c1 ZINC000356306798 527634560 /nfs/dbraw/zinc/63/45/60/527634560.db2.gz RHAGTOHGJHDTQZ-UHFFFAOYSA-N -1 3 309.163 2.654 20 0 DFADHM CC(C)O[C@H](C(=O)[N-]c1nncn1C1CC1)c1ccccc1 ZINC000294548492 528073678 /nfs/dbraw/zinc/07/36/78/528073678.db2.gz FCAMBUDAIOMBFU-AWEZNQCLSA-N -1 3 300.362 2.718 20 0 DFADHM CCOc1cc(CNCc2nnc(C(C)C)[nH]2)cc(Cl)c1[O-] ZINC000297542047 528279719 /nfs/dbraw/zinc/27/97/19/528279719.db2.gz YSDHNLPREXANAV-UHFFFAOYSA-N -1 3 324.812 2.976 20 0 DFADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ncccc1[O-] ZINC000331004830 528706996 /nfs/dbraw/zinc/70/69/96/528706996.db2.gz GYTGTPWAEMNFLR-JKIFEVAISA-N -1 3 320.433 2.881 20 0 DFADHM CCCn1c(=O)[n-]nc1SCc1ccn(C2CCCC2)n1 ZINC000331410177 528823071 /nfs/dbraw/zinc/82/30/71/528823071.db2.gz PEAVFOTYYYCKIO-UHFFFAOYSA-N -1 3 307.423 2.998 20 0 DFADHM CCC[C@@H](CC)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000299589632 528922278 /nfs/dbraw/zinc/92/22/78/528922278.db2.gz FMWHDBUZJLQGPO-LLVKDONJSA-N -1 3 316.398 2.506 20 0 DFADHM CC[C@H]1CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000292565946 529241774 /nfs/dbraw/zinc/24/17/74/529241774.db2.gz KXHNCPZJKRGJIY-JTQLQIEISA-N -1 3 313.195 2.849 20 0 DFADHM CC(C)N(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)C1CCCC1 ZINC000354154741 534957586 /nfs/dbraw/zinc/95/75/86/534957586.db2.gz YOYXHIWPLIEAMF-UHFFFAOYSA-N -1 3 324.446 2.851 20 0 DFADHM CCCOc1ccc(OCC(=O)Nc2ncccc2[O-])cc1 ZINC000184336492 535277422 /nfs/dbraw/zinc/27/74/22/535277422.db2.gz NYQLFOXSFWORBV-UHFFFAOYSA-N -1 3 302.330 2.594 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000354783554 536190614 /nfs/dbraw/zinc/19/06/14/536190614.db2.gz MFRYETYZJWGMFE-OAHLLOKOSA-N -1 3 312.369 2.643 20 0 DFADHM COC(C)(C)c1nc(C)c(C(=O)[N-]c2ccncc2F)s1 ZINC000355384844 536493785 /nfs/dbraw/zinc/49/37/85/536493785.db2.gz NUVIGSNIEJQDCS-UHFFFAOYSA-N -1 3 309.366 2.541 20 0 DFADHM COc1cc(C(=O)NCc2ccc(Cl)cc2OC)ccc1[O-] ZINC000357604112 536494701 /nfs/dbraw/zinc/49/47/01/536494701.db2.gz MORKPMHEXFRADX-UHFFFAOYSA-N -1 3 321.760 2.993 20 0 DFADHM COc1cc(C(=O)NCc2cccc3cccnc32)ccc1[O-] ZINC000357611776 536496168 /nfs/dbraw/zinc/49/61/68/536496168.db2.gz DQHJHYRXEYIOLT-UHFFFAOYSA-N -1 3 308.337 2.879 20 0 DFADHM COC(=O)c1cc(F)cc([N-]C(=O)c2oc(C)nc2C)c1F ZINC000358013576 536504311 /nfs/dbraw/zinc/50/43/11/536504311.db2.gz CSAWPLDXVKIOGZ-UHFFFAOYSA-N -1 3 310.256 2.609 20 0 DFADHM COc1cc(C(=O)N[C@H](C)CC(=O)c2ccccc2)ccc1[O-] ZINC000357673151 536513518 /nfs/dbraw/zinc/51/35/18/536513518.db2.gz UPSBZZFLTKHBPK-GFCCVEGCSA-N -1 3 313.353 2.792 20 0 DFADHM CO[C@@](C)(C(=O)[N-]c1nncn1-c1ccccc1)c1ccccc1 ZINC000358333733 536818740 /nfs/dbraw/zinc/81/87/40/536818740.db2.gz PXYHXXDDMJHHQT-GOSISDBHSA-N -1 3 322.368 2.768 20 0 DFADHM CCO[C@@H]1C[C@H]([N-]c2nc(-c3ccccc3)no2)[C@@]12CCCO2 ZINC000680531097 545506609 /nfs/dbraw/zinc/50/66/09/545506609.db2.gz MVKBBOATYGEIFS-VBQJREDUSA-N -1 3 315.373 2.875 20 0 DFADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000680626411 545520581 /nfs/dbraw/zinc/52/05/81/545520581.db2.gz CBYYJOGPYOQHAZ-QMMMGPOBSA-N -1 3 313.345 2.542 20 0 DFADHM [O-]c1ccccc1-c1nc(Cc2ccc3c(c2)OCCO3)no1 ZINC000680684944 545528781 /nfs/dbraw/zinc/52/87/81/545528781.db2.gz YYZYZIJITCDLLQ-UHFFFAOYSA-N -1 3 310.309 2.804 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(-c2noc([C@H]3CC34CCC4)n2)cc1 ZINC000680673804 545527632 /nfs/dbraw/zinc/52/76/32/545527632.db2.gz SECJFDKRJWRAOW-GFCCVEGCSA-N -1 3 319.386 2.766 20 0 DFADHM CN1CC[C@H](NC(=O)c2ccc([O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000681058719 545591063 /nfs/dbraw/zinc/59/10/63/545591063.db2.gz CTISYNOCZCEIKI-RDJZCZTQSA-N -1 3 314.360 2.707 20 0 DFADHM CCOc1nc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)co1 ZINC000681356715 545631496 /nfs/dbraw/zinc/63/14/96/545631496.db2.gz JHKXPPIWBAZQLZ-SNVBAGLBSA-N -1 3 302.330 2.933 20 0 DFADHM Cc1nc2c([nH]1)C[C@@H](C(=O)Nc1cccc(Cl)c1[O-])CC2 ZINC000681519590 545660746 /nfs/dbraw/zinc/66/07/46/545660746.db2.gz FCJCAODAFAEZEF-VIFPVBQESA-N -1 3 305.765 2.821 20 0 DFADHM Cc1nc2c([nH]1)CC[C@H](C(=O)Nc1cccc(Cl)c1[O-])C2 ZINC000681519590 545660749 /nfs/dbraw/zinc/66/07/49/545660749.db2.gz FCJCAODAFAEZEF-VIFPVBQESA-N -1 3 305.765 2.821 20 0 DFADHM CCc1cc([N-]C(=O)c2cc(C)nc(C(F)(F)F)n2)no1 ZINC000681733610 545710274 /nfs/dbraw/zinc/71/02/74/545710274.db2.gz PRTHFANSYDTNFL-UHFFFAOYSA-N -1 3 300.240 2.607 20 0 DFADHM Cc1occc1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000682029564 545779207 /nfs/dbraw/zinc/77/92/07/545779207.db2.gz FDIVRCYPVDCQGG-UHFFFAOYSA-N -1 3 324.174 2.915 20 0 DFADHM COC1CCC(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)CC1 ZINC000682034508 545780873 /nfs/dbraw/zinc/78/08/73/545780873.db2.gz SYEGOYLPHCOKEB-UHFFFAOYSA-N -1 3 304.350 2.517 20 0 DFADHM COC1CCC(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)CC1 ZINC000682034508 545780879 /nfs/dbraw/zinc/78/08/79/545780879.db2.gz SYEGOYLPHCOKEB-UHFFFAOYSA-N -1 3 304.350 2.517 20 0 DFADHM COC1CCC(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)CC1 ZINC000682034508 545780885 /nfs/dbraw/zinc/78/08/85/545780885.db2.gz SYEGOYLPHCOKEB-UHFFFAOYSA-N -1 3 304.350 2.517 20 0 DFADHM COc1cc(C(=O)NC2CCC(OC(C)C)CC2)ccc1[O-] ZINC000682362297 545829920 /nfs/dbraw/zinc/82/99/20/545829920.db2.gz WQSXHZFDZFDHSL-UHFFFAOYSA-N -1 3 307.390 2.867 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nc2ccccn2n1 ZINC000682608711 545882967 /nfs/dbraw/zinc/88/29/67/545882967.db2.gz QKDMJIZGYCKZJL-UHFFFAOYSA-N -1 3 314.320 2.535 20 0 DFADHM CCc1cccc(C(=O)NC[C@H](c2ccnn2C)C(C)C)c1[O-] ZINC000682684349 545897268 /nfs/dbraw/zinc/89/72/68/545897268.db2.gz FJDVXNPHPNXOLS-HNNXBMFYSA-N -1 3 315.417 2.858 20 0 DFADHM CCc1ccc(C(=O)NC[C@@H](c2ccnn2C)C(C)C)c([O-])c1 ZINC000682685047 545897439 /nfs/dbraw/zinc/89/74/39/545897439.db2.gz MUJVBPCDTOXOPU-OAHLLOKOSA-N -1 3 315.417 2.858 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCCO2)sc1Cl ZINC000682723130 545905783 /nfs/dbraw/zinc/90/57/83/545905783.db2.gz USFKDBOMFQVSCB-VIFPVBQESA-N -1 3 309.840 2.557 20 0 DFADHM CC[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCOC1 ZINC000682938586 545944037 /nfs/dbraw/zinc/94/40/37/545944037.db2.gz WHUREVZIOLLNRN-LBPRGKRZSA-N -1 3 324.229 2.841 20 0 DFADHM O=C([N-]c1cnns1)Nc1ccc2c(cnn2C(F)F)c1 ZINC000683154657 545981752 /nfs/dbraw/zinc/98/17/52/545981752.db2.gz WBXWRRLZTKHYST-UHFFFAOYSA-N -1 3 310.289 2.927 20 0 DFADHM COCC(C)(C)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000683158935 545982082 /nfs/dbraw/zinc/98/20/82/545982082.db2.gz PZTVQWASENPZTD-UHFFFAOYSA-N -1 3 305.418 2.960 20 0 DFADHM O=C([O-])[C@@H](CNCc1c(F)cccc1F)Cc1ccccc1 ZINC000683176679 545984880 /nfs/dbraw/zinc/98/48/80/545984880.db2.gz NYGMFXAVBJKCRV-CYBMUJFWSA-N -1 3 305.324 2.998 20 0 DFADHM CCCn1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000683185076 545986009 /nfs/dbraw/zinc/98/60/09/545986009.db2.gz OJQUARNBOJEALW-UHFFFAOYSA-N -1 3 314.357 2.655 20 0 DFADHM Cc1[n-][nH]c(=O)c1CCNc1cc(C(C)(C)C)nc(C(C)C)n1 ZINC000683389340 546024214 /nfs/dbraw/zinc/02/42/14/546024214.db2.gz YNQHYHCWPNCAGQ-GFCCVEGCSA-N -1 3 317.437 2.821 20 0 DFADHM CCOc1cc(-c2noc(-c3cnn(C)c3CC)n2)ccc1[O-] ZINC000683589448 546066015 /nfs/dbraw/zinc/06/60/15/546066015.db2.gz SHYSZTLBAYGYMX-UHFFFAOYSA-N -1 3 314.345 2.804 20 0 DFADHM CCc1cccc(C(=O)N[C@H]2CCc3ccccc3C2=O)c1[O-] ZINC000683655145 546073254 /nfs/dbraw/zinc/07/32/54/546073254.db2.gz VVCYUVVHAWIXDD-INIZCTEOSA-N -1 3 309.365 2.882 20 0 DFADHM O=c1[n-]nc(S[C@H]2CCc3ccccc32)n1C[C@H]1CCCO1 ZINC000683737626 546084465 /nfs/dbraw/zinc/08/44/65/546084465.db2.gz RKNRPUZFZWRNHM-OCCSQVGLSA-N -1 3 317.414 2.942 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C1CCC1 ZINC000683759815 546089020 /nfs/dbraw/zinc/08/90/20/546089020.db2.gz HMGSCVYWRZIICK-VIFPVBQESA-N -1 3 303.811 2.816 20 0 DFADHM CCOc1ccc([C@@H](C)NC(=O)NCc2ncccc2[O-])cc1 ZINC000684250945 546181264 /nfs/dbraw/zinc/18/12/64/546181264.db2.gz ISCYJPMLJGKBRV-GFCCVEGCSA-N -1 3 315.373 2.746 20 0 DFADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCC(F)F)cc2)n1 ZINC000684408467 546211057 /nfs/dbraw/zinc/21/10/57/546211057.db2.gz QEOBRMUMRMFYID-UHFFFAOYSA-N -1 3 307.300 2.729 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2F)c([O-])c1 ZINC000684845954 546291082 /nfs/dbraw/zinc/29/10/82/546291082.db2.gz WEKHZILCTZIAHM-UHFFFAOYSA-N -1 3 312.304 2.877 20 0 DFADHM Cc1cccc([C@H](C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737385489 598830120 /nfs/dbraw/zinc/83/01/20/598830120.db2.gz SYAMNQJTFICKAD-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1cccc([C@H](C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737385489 598830122 /nfs/dbraw/zinc/83/01/22/598830122.db2.gz SYAMNQJTFICKAD-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000735735366 598855369 /nfs/dbraw/zinc/85/53/69/598855369.db2.gz STKMLRMYOCEFQC-HNNXBMFYSA-N -1 3 323.356 2.816 20 0 DFADHM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000735735366 598855370 /nfs/dbraw/zinc/85/53/70/598855370.db2.gz STKMLRMYOCEFQC-HNNXBMFYSA-N -1 3 323.356 2.816 20 0 DFADHM Cc1nnc(NC2C[C@@H](C)C[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737519253 598857111 /nfs/dbraw/zinc/85/71/11/598857111.db2.gz BZVISRYGHCZSCQ-IUCAKERBSA-N -1 3 301.398 2.510 20 0 DFADHM Cc1nnc(NC2C[C@@H](C)C[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737519253 598857113 /nfs/dbraw/zinc/85/71/13/598857113.db2.gz BZVISRYGHCZSCQ-IUCAKERBSA-N -1 3 301.398 2.510 20 0 DFADHM Cc1ccc(-c2noc(Cc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737303346 598859829 /nfs/dbraw/zinc/85/98/29/598859829.db2.gz JOSCGQPJDPWPJD-UHFFFAOYSA-N -1 3 318.340 2.816 20 0 DFADHM Cc1ccc(-c2noc(Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737303346 598859831 /nfs/dbraw/zinc/85/98/31/598859831.db2.gz JOSCGQPJDPWPJD-UHFFFAOYSA-N -1 3 318.340 2.816 20 0 DFADHM CC[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736348378 598905601 /nfs/dbraw/zinc/90/56/01/598905601.db2.gz AJJHSVBTBZCAAM-GFCCVEGCSA-N -1 3 314.393 2.807 20 0 DFADHM CC[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736348378 598905603 /nfs/dbraw/zinc/90/56/03/598905603.db2.gz AJJHSVBTBZCAAM-GFCCVEGCSA-N -1 3 314.393 2.807 20 0 DFADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736263354 598907301 /nfs/dbraw/zinc/90/73/01/598907301.db2.gz PQCMNIIXYNBRLC-CHWSQXEVSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736263354 598907303 /nfs/dbraw/zinc/90/73/03/598907303.db2.gz PQCMNIIXYNBRLC-CHWSQXEVSA-N -1 3 313.405 2.813 20 0 DFADHM CC(C)C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000735794856 598939573 /nfs/dbraw/zinc/93/95/73/598939573.db2.gz GQMAJWXWXAGMRL-NSHDSACASA-N -1 3 306.801 2.930 20 0 DFADHM CC(C)C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000735794856 598939575 /nfs/dbraw/zinc/93/95/75/598939575.db2.gz GQMAJWXWXAGMRL-NSHDSACASA-N -1 3 306.801 2.930 20 0 DFADHM CC(C)CN(CCc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827609 598945269 /nfs/dbraw/zinc/94/52/69/598945269.db2.gz RDXPKLLKVXUYRZ-UHFFFAOYSA-N -1 3 322.416 2.967 20 0 DFADHM Cc1cc(C)cc(CCNc2nnc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000737250744 598976047 /nfs/dbraw/zinc/97/60/47/598976047.db2.gz ODIGHFBCFVCBNW-UHFFFAOYSA-N -1 3 323.404 2.545 20 0 DFADHM Cc1cc(C)cc(CCNc2nnc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000737250744 598976049 /nfs/dbraw/zinc/97/60/49/598976049.db2.gz ODIGHFBCFVCBNW-UHFFFAOYSA-N -1 3 323.404 2.545 20 0 DFADHM CCc1ccc(CCOC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736683198 598974532 /nfs/dbraw/zinc/97/45/32/598974532.db2.gz OFTXAKHVQLOHQT-UHFFFAOYSA-N -1 3 322.368 2.829 20 0 DFADHM CCc1ccc(CCOC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736683198 598974535 /nfs/dbraw/zinc/97/45/35/598974535.db2.gz OFTXAKHVQLOHQT-UHFFFAOYSA-N -1 3 322.368 2.829 20 0 DFADHM O=C(CCC1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737823811 598988537 /nfs/dbraw/zinc/98/85/37/598988537.db2.gz LCZOTHYSUGJYDT-UHFFFAOYSA-N -1 3 311.389 2.548 20 0 DFADHM O=C(CCC1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737823811 598988541 /nfs/dbraw/zinc/98/85/41/598988541.db2.gz LCZOTHYSUGJYDT-UHFFFAOYSA-N -1 3 311.389 2.548 20 0 DFADHM C[C@@H](NC(=O)[C@H](C)C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736095907 599014789 /nfs/dbraw/zinc/01/47/89/599014789.db2.gz KCURUKKVESIAHU-WDEREUQCSA-N -1 3 301.394 2.726 20 0 DFADHM C[C@@H](NC(=O)[C@H](C)C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736095907 599014791 /nfs/dbraw/zinc/01/47/91/599014791.db2.gz KCURUKKVESIAHU-WDEREUQCSA-N -1 3 301.394 2.726 20 0 DFADHM CC[C@H]1CCC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736401900 599012487 /nfs/dbraw/zinc/01/24/87/599012487.db2.gz ZUBLKEPMTDRARH-WCQYABFASA-N -1 3 314.393 2.957 20 0 DFADHM CC[C@H]1CCC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736401900 599012489 /nfs/dbraw/zinc/01/24/89/599012489.db2.gz ZUBLKEPMTDRARH-WCQYABFASA-N -1 3 314.393 2.957 20 0 DFADHM CCOC(=O)C[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736592299 599013755 /nfs/dbraw/zinc/01/37/55/599013755.db2.gz BYTFVCVNGSTOPU-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)C[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736592299 599013757 /nfs/dbraw/zinc/01/37/57/599013757.db2.gz BYTFVCVNGSTOPU-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1cccnc1 ZINC000737291479 599026870 /nfs/dbraw/zinc/02/68/70/599026870.db2.gz MPIHNUUVKCCOKF-GFCCVEGCSA-N -1 3 322.372 2.702 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1cccnc1 ZINC000737291479 599026872 /nfs/dbraw/zinc/02/68/72/599026872.db2.gz MPIHNUUVKCCOKF-GFCCVEGCSA-N -1 3 322.372 2.702 20 0 DFADHM Cc1ccc(F)c(OCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737345659 599033116 /nfs/dbraw/zinc/03/31/16/599033116.db2.gz UQSVMJMLGLZUQI-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1ccc(F)c(OCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737345659 599033117 /nfs/dbraw/zinc/03/31/17/599033117.db2.gz UQSVMJMLGLZUQI-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1ccc([C@H](O)CNc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000737320027 599046578 /nfs/dbraw/zinc/04/65/78/599046578.db2.gz LJRWITKJFYGRRJ-GFCCVEGCSA-N -1 3 319.752 2.567 20 0 DFADHM Cc1ccc([C@H](O)CNc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000737320027 599046581 /nfs/dbraw/zinc/04/65/81/599046581.db2.gz LJRWITKJFYGRRJ-GFCCVEGCSA-N -1 3 319.752 2.567 20 0 DFADHM C[C@@H]1CN(Cc2cc(Br)cs2)C[C@H]1C(=O)[O-] ZINC000235342493 601504706 /nfs/dbraw/zinc/50/47/06/601504706.db2.gz FWLASDXVSXIOHV-GMSGAONNSA-N -1 3 304.209 2.663 20 0 DFADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820668972 599059969 /nfs/dbraw/zinc/05/99/69/599059969.db2.gz XVLDQIYVAAPOOH-ABAIWWIYSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820668972 599059971 /nfs/dbraw/zinc/05/99/71/599059971.db2.gz XVLDQIYVAAPOOH-ABAIWWIYSA-N -1 3 324.363 2.988 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000737058804 599073226 /nfs/dbraw/zinc/07/32/26/599073226.db2.gz OMKAGTYHIIKIGK-CMPLNLGQSA-N -1 3 315.377 2.640 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000737058804 599073229 /nfs/dbraw/zinc/07/32/29/599073229.db2.gz OMKAGTYHIIKIGK-CMPLNLGQSA-N -1 3 315.377 2.640 20 0 DFADHM C[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000820767702 599074462 /nfs/dbraw/zinc/07/44/62/599074462.db2.gz JYAJQQJGQLTRNU-IUCAKERBSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820767702 599074464 /nfs/dbraw/zinc/07/44/64/599074464.db2.gz JYAJQQJGQLTRNU-IUCAKERBSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2F)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820668788 599077721 /nfs/dbraw/zinc/07/77/21/599077721.db2.gz WNTFRTMWYXACOV-IAQYHMDHSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2F)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820668788 599077723 /nfs/dbraw/zinc/07/77/23/599077723.db2.gz WNTFRTMWYXACOV-IAQYHMDHSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@@H]1C ZINC000736266818 599082578 /nfs/dbraw/zinc/08/25/78/599082578.db2.gz PISPRFNHFFATPW-WGVUZWOWSA-N -1 3 311.389 2.527 20 0 DFADHM C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@@H]1C ZINC000736266818 599082581 /nfs/dbraw/zinc/08/25/81/599082581.db2.gz PISPRFNHFFATPW-WGVUZWOWSA-N -1 3 311.389 2.527 20 0 DFADHM CC[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1 ZINC000820994140 599101850 /nfs/dbraw/zinc/10/18/50/599101850.db2.gz FGEVSILBSJRGGB-JTQLQIEISA-N -1 3 309.826 2.852 20 0 DFADHM CC[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1 ZINC000820994140 599101852 /nfs/dbraw/zinc/10/18/52/599101852.db2.gz FGEVSILBSJRGGB-JTQLQIEISA-N -1 3 309.826 2.852 20 0 DFADHM FC(F)(F)CCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000822714953 599103423 /nfs/dbraw/zinc/10/34/23/599103423.db2.gz XNVLQAZWSOXQJJ-UHFFFAOYSA-N -1 3 308.267 2.779 20 0 DFADHM FC(F)(F)CCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000822714953 599103426 /nfs/dbraw/zinc/10/34/26/599103426.db2.gz XNVLQAZWSOXQJJ-UHFFFAOYSA-N -1 3 308.267 2.779 20 0 DFADHM Cc1cccc2oc(CCNc3ccc(-c4nn[n-]n4)cc3)nc21 ZINC000822341485 599111368 /nfs/dbraw/zinc/11/13/68/599111368.db2.gz YAOWXGBOZYNMES-UHFFFAOYSA-N -1 3 320.356 2.971 20 0 DFADHM CCO[C@@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC000736609883 599118813 /nfs/dbraw/zinc/11/88/13/599118813.db2.gz GTBOEIIIOTYEIM-CHWSQXEVSA-N -1 3 317.368 2.765 20 0 DFADHM CCO[C@@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC000736609883 599118815 /nfs/dbraw/zinc/11/88/15/599118815.db2.gz GTBOEIIIOTYEIM-CHWSQXEVSA-N -1 3 317.368 2.765 20 0 DFADHM CC(C)[C@H](C)S[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820550143 599130902 /nfs/dbraw/zinc/13/09/02/599130902.db2.gz UVRHNWQURSSVBM-WDEREUQCSA-N -1 3 319.434 2.971 20 0 DFADHM CC(C)[C@H](C)S[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820550143 599130905 /nfs/dbraw/zinc/13/09/05/599130905.db2.gz UVRHNWQURSSVBM-WDEREUQCSA-N -1 3 319.434 2.971 20 0 DFADHM Cc1ccc2c(c1)OCCN2Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737378605 599143726 /nfs/dbraw/zinc/14/37/26/599143726.db2.gz VFNNAQGIQXCGQW-UHFFFAOYSA-N -1 3 307.357 2.574 20 0 DFADHM Cc1ccc2c(c1)OCCN2Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737378605 599143728 /nfs/dbraw/zinc/14/37/28/599143728.db2.gz VFNNAQGIQXCGQW-UHFFFAOYSA-N -1 3 307.357 2.574 20 0 DFADHM CCN(C(=O)/C=C/C1CC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147432 599143838 /nfs/dbraw/zinc/14/38/38/599143838.db2.gz GAQQDNAJKWIGRS-IGEMTJHASA-N -1 3 311.389 2.742 20 0 DFADHM CCN(C(=O)/C=C/C1CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147432 599143839 /nfs/dbraw/zinc/14/38/39/599143839.db2.gz GAQQDNAJKWIGRS-IGEMTJHASA-N -1 3 311.389 2.742 20 0 DFADHM C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736017917 599147101 /nfs/dbraw/zinc/14/71/01/599147101.db2.gz RQHFNYDLZZSBAN-VIFPVBQESA-N -1 3 320.372 2.810 20 0 DFADHM C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736017917 599147104 /nfs/dbraw/zinc/14/71/04/599147104.db2.gz RQHFNYDLZZSBAN-VIFPVBQESA-N -1 3 320.372 2.810 20 0 DFADHM COc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1-c1nnn[n-]1 ZINC000821731354 599156198 /nfs/dbraw/zinc/15/61/98/599156198.db2.gz BBWOHBJRVKUFPT-UHFFFAOYSA-N -1 3 310.292 2.558 20 0 DFADHM COc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1-c1nn[n-]n1 ZINC000821731354 599156201 /nfs/dbraw/zinc/15/62/01/599156201.db2.gz BBWOHBJRVKUFPT-UHFFFAOYSA-N -1 3 310.292 2.558 20 0 DFADHM CC[C@@H]1CCC[C@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736398659 599156355 /nfs/dbraw/zinc/15/63/55/599156355.db2.gz BYXRHQLLBHBQHI-RISCZKNCSA-N -1 3 300.362 2.992 20 0 DFADHM CC[C@@H]1CCC[C@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736398659 599156357 /nfs/dbraw/zinc/15/63/57/599156357.db2.gz BYXRHQLLBHBQHI-RISCZKNCSA-N -1 3 300.362 2.992 20 0 DFADHM CC(C)n1ccc(CSc2ccccc2-c2nnn[n-]2)n1 ZINC000820214544 599349337 /nfs/dbraw/zinc/34/93/37/599349337.db2.gz HVTBXWUPBDQIAM-UHFFFAOYSA-N -1 3 300.391 2.936 20 0 DFADHM CC(C)n1ccc(CSc2ccccc2-c2nn[n-]n2)n1 ZINC000820214544 599349341 /nfs/dbraw/zinc/34/93/41/599349341.db2.gz HVTBXWUPBDQIAM-UHFFFAOYSA-N -1 3 300.391 2.936 20 0 DFADHM CC(C)(C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735598043 599170830 /nfs/dbraw/zinc/17/08/30/599170830.db2.gz WSUMEOQFUGVLQE-CYBMUJFWSA-N -1 3 300.410 2.914 20 0 DFADHM CC(C)(C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735598043 599170832 /nfs/dbraw/zinc/17/08/32/599170832.db2.gz WSUMEOQFUGVLQE-CYBMUJFWSA-N -1 3 300.410 2.914 20 0 DFADHM CC(C)(C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735598045 599170909 /nfs/dbraw/zinc/17/09/09/599170909.db2.gz WSUMEOQFUGVLQE-ZDUSSCGKSA-N -1 3 300.410 2.914 20 0 DFADHM CC(C)(C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735598045 599170911 /nfs/dbraw/zinc/17/09/11/599170911.db2.gz WSUMEOQFUGVLQE-ZDUSSCGKSA-N -1 3 300.410 2.914 20 0 DFADHM Fc1cccc(N2CCc3ccccc3CC2)c1-c1nnn[n-]1 ZINC000737662278 599171647 /nfs/dbraw/zinc/17/16/47/599171647.db2.gz SVOWAXKFOPZGFJ-UHFFFAOYSA-N -1 3 309.348 2.611 20 0 DFADHM Fc1cccc(N2CCc3ccccc3CC2)c1-c1nn[n-]n1 ZINC000737662278 599171649 /nfs/dbraw/zinc/17/16/49/599171649.db2.gz SVOWAXKFOPZGFJ-UHFFFAOYSA-N -1 3 309.348 2.611 20 0 DFADHM Cn1ccc2ccc(NC(=O)c3sccc3-c3nnn[n-]3)cc21 ZINC000737611937 599185468 /nfs/dbraw/zinc/18/54/68/599185468.db2.gz FKGRARQJFPXQSM-UHFFFAOYSA-N -1 3 324.369 2.672 20 0 DFADHM Cn1ccc2ccc(NC(=O)c3sccc3-c3nn[n-]n3)cc21 ZINC000737611937 599185470 /nfs/dbraw/zinc/18/54/70/599185470.db2.gz FKGRARQJFPXQSM-UHFFFAOYSA-N -1 3 324.369 2.672 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC2(CCCC2)C1 ZINC000822929627 599207170 /nfs/dbraw/zinc/20/71/70/599207170.db2.gz VXTYWLOUMJRIND-FPLPWBNLSA-N -1 3 323.400 2.673 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC2(CCCC2)C1 ZINC000822929627 599207172 /nfs/dbraw/zinc/20/71/72/599207172.db2.gz VXTYWLOUMJRIND-FPLPWBNLSA-N -1 3 323.400 2.673 20 0 DFADHM C[C@@H](COC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736036651 599214241 /nfs/dbraw/zinc/21/42/41/599214241.db2.gz FVPASGAXNFNWLL-LBPRGKRZSA-N -1 3 308.341 2.827 20 0 DFADHM C[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736036651 599214243 /nfs/dbraw/zinc/21/42/43/599214243.db2.gz FVPASGAXNFNWLL-LBPRGKRZSA-N -1 3 308.341 2.827 20 0 DFADHM C[C@@H](COC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736037359 599215968 /nfs/dbraw/zinc/21/59/68/599215968.db2.gz KMSCHQWXJCFUCE-ZDUSSCGKSA-N -1 3 322.368 2.756 20 0 DFADHM C[C@@H](COC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736037359 599215970 /nfs/dbraw/zinc/21/59/70/599215970.db2.gz KMSCHQWXJCFUCE-ZDUSSCGKSA-N -1 3 322.368 2.756 20 0 DFADHM CC(C)Oc1ccc(OC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735913837 599223056 /nfs/dbraw/zinc/22/30/56/599223056.db2.gz SHKBYIPDKHFPGS-UHFFFAOYSA-N -1 3 324.340 2.873 20 0 DFADHM CC(C)Oc1ccc(OC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735913837 599223059 /nfs/dbraw/zinc/22/30/59/599223059.db2.gz SHKBYIPDKHFPGS-UHFFFAOYSA-N -1 3 324.340 2.873 20 0 DFADHM CC[C@H]1CCCN(c2nc(C)cc(C)c2-c2nnn[n-]2)CC1 ZINC000736402543 599230702 /nfs/dbraw/zinc/23/07/02/599230702.db2.gz NMJQNRQCAQBUDG-ZDUSSCGKSA-N -1 3 300.410 2.895 20 0 DFADHM CC[C@H]1CCCN(c2nc(C)cc(C)c2-c2nn[n-]n2)CC1 ZINC000736402543 599230703 /nfs/dbraw/zinc/23/07/03/599230703.db2.gz NMJQNRQCAQBUDG-ZDUSSCGKSA-N -1 3 300.410 2.895 20 0 DFADHM Cc1c(NC(=O)C=Cc2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822068471 607267219 /nfs/dbraw/zinc/26/72/19/607267219.db2.gz TXEPSKCJNYNEPU-KTKRTIGZSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1c(NC(=O)C=Cc2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822068471 607267220 /nfs/dbraw/zinc/26/72/20/607267220.db2.gz TXEPSKCJNYNEPU-KTKRTIGZSA-N -1 3 323.331 2.966 20 0 DFADHM CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736402912 599239788 /nfs/dbraw/zinc/23/97/88/599239788.db2.gz QAVNFRXFABHAFV-LBPRGKRZSA-N -1 3 314.393 2.911 20 0 DFADHM CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736402912 599239789 /nfs/dbraw/zinc/23/97/89/599239789.db2.gz QAVNFRXFABHAFV-LBPRGKRZSA-N -1 3 314.393 2.911 20 0 DFADHM Cc1c(NC(=O)CC2CCSCC2)cccc1-c1nnn[n-]1 ZINC000822068408 607270545 /nfs/dbraw/zinc/27/05/45/607270545.db2.gz RJPHMWJPNDBATR-UHFFFAOYSA-N -1 3 317.418 2.647 20 0 DFADHM Cc1c(NC(=O)CC2CCSCC2)cccc1-c1nn[n-]n1 ZINC000822068408 607270546 /nfs/dbraw/zinc/27/05/46/607270546.db2.gz RJPHMWJPNDBATR-UHFFFAOYSA-N -1 3 317.418 2.647 20 0 DFADHM CCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821418064 607271159 /nfs/dbraw/zinc/27/11/59/607271159.db2.gz VNELREGAPXANSZ-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821418064 607271160 /nfs/dbraw/zinc/27/11/60/607271160.db2.gz VNELREGAPXANSZ-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000818053040 597244413 /nfs/dbraw/zinc/24/44/13/597244413.db2.gz MKKOUFZJFZWRQW-IPQOISQHSA-N -1 3 317.410 2.973 20 0 DFADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000818053043 597244757 /nfs/dbraw/zinc/24/47/57/597244757.db2.gz MKKOUFZJFZWRQW-VERVWZFWSA-N -1 3 317.410 2.973 20 0 DFADHM CC[C@]1(C)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000820950154 607283808 /nfs/dbraw/zinc/28/38/08/607283808.db2.gz KDGFWVXCINCKRB-MRXNPFEDSA-N -1 3 314.393 2.829 20 0 DFADHM CC[C@]1(C)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000820950154 607283809 /nfs/dbraw/zinc/28/38/09/607283809.db2.gz KDGFWVXCINCKRB-MRXNPFEDSA-N -1 3 314.393 2.829 20 0 DFADHM O=C([O-])c1ccc(CN2CCCN(c3nccs3)CC2)cc1 ZINC000821545163 597346402 /nfs/dbraw/zinc/34/64/02/597346402.db2.gz VSNCCXYFCPBHAJ-UHFFFAOYSA-N -1 3 317.414 2.554 20 0 DFADHM Cc1c(NC(=O)N(C)CC2CCCC2)cccc1-c1nnn[n-]1 ZINC000822076652 607284576 /nfs/dbraw/zinc/28/45/76/607284576.db2.gz PMLRZKSYDJMADX-UHFFFAOYSA-N -1 3 314.393 2.829 20 0 DFADHM Cc1c(NC(=O)N(C)CC2CCCC2)cccc1-c1nn[n-]n1 ZINC000822076652 607284577 /nfs/dbraw/zinc/28/45/77/607284577.db2.gz PMLRZKSYDJMADX-UHFFFAOYSA-N -1 3 314.393 2.829 20 0 DFADHM Cc1c(NC(=O)N2CC[C@H](C(C)C)C2)cccc1-c1nnn[n-]1 ZINC000822084897 607290121 /nfs/dbraw/zinc/29/01/21/607290121.db2.gz RSOOJQHXLIHSAM-LBPRGKRZSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1c(NC(=O)N2CC[C@H](C(C)C)C2)cccc1-c1nn[n-]n1 ZINC000822084897 607290122 /nfs/dbraw/zinc/29/01/22/607290122.db2.gz RSOOJQHXLIHSAM-LBPRGKRZSA-N -1 3 314.393 2.685 20 0 DFADHM CCCCCCOCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821055538 607296315 /nfs/dbraw/zinc/29/63/15/607296315.db2.gz CAGOADPWNLMBCG-UHFFFAOYSA-N -1 3 317.393 2.711 20 0 DFADHM CCCCCCOCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821055538 607296316 /nfs/dbraw/zinc/29/63/16/607296316.db2.gz CAGOADPWNLMBCG-UHFFFAOYSA-N -1 3 317.393 2.711 20 0 DFADHM Cc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1F ZINC000822284041 607296810 /nfs/dbraw/zinc/29/68/10/607296810.db2.gz HERDOXZAUZWGGB-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1F ZINC000822284041 607296811 /nfs/dbraw/zinc/29/68/11/607296811.db2.gz HERDOXZAUZWGGB-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM O[C@@H]1CCCC[C@@H]1CCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000823706806 607306579 /nfs/dbraw/zinc/30/65/79/607306579.db2.gz PDHKXFVDSDNVMA-IAQYHMDHSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@@H]1CCCC[C@@H]1CCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000823706806 607306580 /nfs/dbraw/zinc/30/65/80/607306580.db2.gz PDHKXFVDSDNVMA-IAQYHMDHSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@@H]1CCCC[C@@H]1CCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000823706410 607306782 /nfs/dbraw/zinc/30/67/82/607306782.db2.gz MHXABVJHQQNMJK-IUODEOHRSA-N -1 3 301.394 2.610 20 0 DFADHM Cc1cc(F)cc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000822203186 607311802 /nfs/dbraw/zinc/31/18/02/607311802.db2.gz ILAZYGYJBIBXEN-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cc(F)cc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000822203186 607311803 /nfs/dbraw/zinc/31/18/03/607311803.db2.gz ILAZYGYJBIBXEN-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM c1cn(-c2cccc(NCc3ccc(-c4nnn[n-]4)s3)c2)cn1 ZINC000823757314 607313832 /nfs/dbraw/zinc/31/38/32/607313832.db2.gz OJHZZNHNYUXWEK-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM c1cn(-c2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)cn1 ZINC000823757314 607313833 /nfs/dbraw/zinc/31/38/33/607313833.db2.gz OJHZZNHNYUXWEK-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM C[C@@H](Nc1nnc(C2CC2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461545 607303655 /nfs/dbraw/zinc/30/36/55/607303655.db2.gz MALRUDLFHKEMRL-MRVPVSSYSA-N -1 3 313.390 2.769 20 0 DFADHM C[C@@H](Nc1nnc(C2CC2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461545 607303656 /nfs/dbraw/zinc/30/36/56/607303656.db2.gz MALRUDLFHKEMRL-MRVPVSSYSA-N -1 3 313.390 2.769 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820696573 599585194 /nfs/dbraw/zinc/58/51/94/599585194.db2.gz AYRDXIJZQPUWCY-ZJUUUORDSA-N -1 3 306.801 2.930 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820696573 599585197 /nfs/dbraw/zinc/58/51/97/599585197.db2.gz AYRDXIJZQPUWCY-ZJUUUORDSA-N -1 3 306.801 2.930 20 0 DFADHM CC(C)(C)Oc1cccc(CN2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000819927147 598112193 /nfs/dbraw/zinc/11/21/93/598112193.db2.gz CZYFNUPHEWIYSE-CYBMUJFWSA-N -1 3 306.406 2.946 20 0 DFADHM Cc1cn(Cc2cc(-c3ccccc3)on2)cc1-c1nnn[n-]1 ZINC000822384586 607329561 /nfs/dbraw/zinc/32/95/61/607329561.db2.gz OCAPPASPVHVHSD-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1cn(Cc2cc(-c3ccccc3)on2)cc1-c1nn[n-]n1 ZINC000822384586 607329562 /nfs/dbraw/zinc/32/95/62/607329562.db2.gz OCAPPASPVHVHSD-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1cn(Cc2ncc(-c3ccc(C)cc3)o2)cc1-c1nnn[n-]1 ZINC000822214186 607330041 /nfs/dbraw/zinc/33/00/41/607330041.db2.gz SUCLXUKGYHIPJO-UHFFFAOYSA-N -1 3 320.356 2.988 20 0 DFADHM Cc1cn(Cc2ncc(-c3ccc(C)cc3)o2)cc1-c1nn[n-]n1 ZINC000822214186 607330042 /nfs/dbraw/zinc/33/00/42/607330042.db2.gz SUCLXUKGYHIPJO-UHFFFAOYSA-N -1 3 320.356 2.988 20 0 DFADHM Fc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000822766997 607332708 /nfs/dbraw/zinc/33/27/08/607332708.db2.gz SBPSZFVUDPFRDU-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Cc1cc2ncc([C@@H](C)NCc3cccc(C(=O)[O-])c3)c(C)n2n1 ZINC000821052756 598192164 /nfs/dbraw/zinc/19/21/64/598192164.db2.gz VGAWBRDQWDJNPT-GFCCVEGCSA-N -1 3 324.384 2.895 20 0 DFADHM CN(Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736819118 598234561 /nfs/dbraw/zinc/23/45/61/598234561.db2.gz IDSTYKNYFNUIPL-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM COC(=O)CCCCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000736912967 598238153 /nfs/dbraw/zinc/23/81/53/598238153.db2.gz VMLGOYIDUHMWGO-UHFFFAOYSA-N -1 3 321.356 2.541 20 0 DFADHM COC(=O)CCCCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000736912967 598238154 /nfs/dbraw/zinc/23/81/54/598238154.db2.gz VMLGOYIDUHMWGO-UHFFFAOYSA-N -1 3 321.356 2.541 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(Cl)nc1 ZINC000737644664 598239362 /nfs/dbraw/zinc/23/93/62/598239362.db2.gz JNJHFZFPEHKDNN-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1cccc(F)c1CCNc1ccc(-c2nn[n-]n2)cc1F ZINC000737640751 598239430 /nfs/dbraw/zinc/23/94/30/598239430.db2.gz OTCLTEGAGAOQED-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM COc1cc(CNc2ccc(-c3nn[n-]n3)cc2F)ccc1C ZINC000737047652 598240490 /nfs/dbraw/zinc/24/04/90/598240490.db2.gz OJHZYEGEEFMRQI-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Cc1ccc2nc(CNc3ccc(-c4nn[n-]n4)cc3F)cn2c1 ZINC000737375834 598240515 /nfs/dbraw/zinc/24/05/15/598240515.db2.gz XPPCYMFPALNBCJ-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM O=C(C=C1CCCCC1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737790872 598301088 /nfs/dbraw/zinc/30/10/88/598301088.db2.gz HDEJMVPLSIAWIH-UHFFFAOYSA-N -1 3 315.352 2.513 20 0 DFADHM O=C(C=C1CCCCC1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737790872 598301089 /nfs/dbraw/zinc/30/10/89/598301089.db2.gz HDEJMVPLSIAWIH-UHFFFAOYSA-N -1 3 315.352 2.513 20 0 DFADHM Cc1cc(CSCc2cc(-c3nnn[n-]3)ccc2F)no1 ZINC000737265581 598313279 /nfs/dbraw/zinc/31/32/79/598313279.db2.gz XDWKOFYEYIQTEF-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM Cc1cc(CSCc2cc(-c3nn[n-]n3)ccc2F)no1 ZINC000737265581 598313280 /nfs/dbraw/zinc/31/32/80/598313280.db2.gz XDWKOFYEYIQTEF-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM Fc1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000737650607 598316653 /nfs/dbraw/zinc/31/66/53/598316653.db2.gz TWWIQQBWJCJRIJ-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM CCC(=O)c1cccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820841667 607350372 /nfs/dbraw/zinc/35/03/72/607350372.db2.gz BQCGBQXSIVFCMX-UHFFFAOYSA-N -1 3 321.340 2.712 20 0 DFADHM CCC(=O)c1cccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820841667 607350373 /nfs/dbraw/zinc/35/03/73/607350373.db2.gz BQCGBQXSIVFCMX-UHFFFAOYSA-N -1 3 321.340 2.712 20 0 DFADHM Cc1cc(F)ccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822205672 607352692 /nfs/dbraw/zinc/35/26/92/607352692.db2.gz DNZZUQPDVQPBDR-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(F)ccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822205672 607352693 /nfs/dbraw/zinc/35/26/93/607352693.db2.gz DNZZUQPDVQPBDR-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1NCCc1cccs1 ZINC000737558130 598387183 /nfs/dbraw/zinc/38/71/83/598387183.db2.gz LCFVVEMHRYKTCX-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1NCCc1cccs1 ZINC000737558130 598387185 /nfs/dbraw/zinc/38/71/85/598387185.db2.gz LCFVVEMHRYKTCX-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1nnc(C)c(C)c1-c1nnn[n-]1)CC2 ZINC000737372464 598388323 /nfs/dbraw/zinc/38/83/23/598388323.db2.gz YNAVYVFEQQPNLD-AWEZNQCLSA-N -1 3 321.388 2.681 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1nnc(C)c(C)c1-c1nn[n-]n1)CC2 ZINC000737372464 598388325 /nfs/dbraw/zinc/38/83/25/598388325.db2.gz YNAVYVFEQQPNLD-AWEZNQCLSA-N -1 3 321.388 2.681 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H]1C[C@H]1c1ccccc1 ZINC000737558899 598392302 /nfs/dbraw/zinc/39/23/02/598392302.db2.gz RDYKCEBPKIKITC-AAEUAGOBSA-N -1 3 312.764 2.883 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H]1C[C@H]1c1ccccc1 ZINC000737558899 598392304 /nfs/dbraw/zinc/39/23/04/598392304.db2.gz RDYKCEBPKIKITC-AAEUAGOBSA-N -1 3 312.764 2.883 20 0 DFADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736740658 598404653 /nfs/dbraw/zinc/40/46/53/598404653.db2.gz DLIHZKPYSSNITR-UHFFFAOYSA-N -1 3 319.368 2.768 20 0 DFADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736740658 598404654 /nfs/dbraw/zinc/40/46/54/598404654.db2.gz DLIHZKPYSSNITR-UHFFFAOYSA-N -1 3 319.368 2.768 20 0 DFADHM CSc1ccsc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737193292 598419588 /nfs/dbraw/zinc/41/95/88/598419588.db2.gz ZWSBWAAEEOFHEA-UHFFFAOYSA-N -1 3 318.383 2.869 20 0 DFADHM CSc1ccsc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737193292 598419590 /nfs/dbraw/zinc/41/95/90/598419590.db2.gz ZWSBWAAEEOFHEA-UHFFFAOYSA-N -1 3 318.383 2.869 20 0 DFADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737251949 598422991 /nfs/dbraw/zinc/42/29/91/598422991.db2.gz FZKRBSGHWVVALO-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737251949 598422993 /nfs/dbraw/zinc/42/29/93/598422993.db2.gz FZKRBSGHWVVALO-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM CN(Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC000736819332 598425643 /nfs/dbraw/zinc/42/56/43/598425643.db2.gz JYTIBYKHNBXJAK-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC000736819332 598425645 /nfs/dbraw/zinc/42/56/45/598425645.db2.gz JYTIBYKHNBXJAK-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM O=C(Nc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cn1 ZINC000738182884 598435446 /nfs/dbraw/zinc/43/54/46/598435446.db2.gz FCBOUYMFGZSPQA-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cn1 ZINC000738182884 598435447 /nfs/dbraw/zinc/43/54/47/598435447.db2.gz FCBOUYMFGZSPQA-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCC[C@@H]1C ZINC000736506421 598445679 /nfs/dbraw/zinc/44/56/79/598445679.db2.gz XZGXBRJBUWSFNM-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCC[C@@H]1C ZINC000736506421 598445680 /nfs/dbraw/zinc/44/56/80/598445680.db2.gz XZGXBRJBUWSFNM-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM Cc1cccc(N(C(=O)c2ccc(-c3nnn[n-]3)cn2)C(C)C)c1 ZINC000737397278 598453166 /nfs/dbraw/zinc/45/31/66/598453166.db2.gz TYELJKLMTKINOA-UHFFFAOYSA-N -1 3 322.372 2.625 20 0 DFADHM Cc1cccc(N(C(=O)c2ccc(-c3nn[n-]n3)cn2)C(C)C)c1 ZINC000737397278 598453168 /nfs/dbraw/zinc/45/31/68/598453168.db2.gz TYELJKLMTKINOA-UHFFFAOYSA-N -1 3 322.372 2.625 20 0 DFADHM O=C(OC[C@H]1CCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738221740 598485812 /nfs/dbraw/zinc/48/58/12/598485812.db2.gz OTFAOPCBXQQJLV-OAHLLOKOSA-N -1 3 320.352 2.754 20 0 DFADHM O=C(OC[C@H]1CCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738221740 598485814 /nfs/dbraw/zinc/48/58/14/598485814.db2.gz OTFAOPCBXQQJLV-OAHLLOKOSA-N -1 3 320.352 2.754 20 0 DFADHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C1CC1 ZINC000735975329 598490163 /nfs/dbraw/zinc/49/01/63/598490163.db2.gz LDGSUAFYUDIFMU-JTQLQIEISA-N -1 3 316.409 2.798 20 0 DFADHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C1CC1 ZINC000735975329 598490165 /nfs/dbraw/zinc/49/01/65/598490165.db2.gz LDGSUAFYUDIFMU-JTQLQIEISA-N -1 3 316.409 2.798 20 0 DFADHM C[C@@H](OC(=O)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736160906 598490575 /nfs/dbraw/zinc/49/05/75/598490575.db2.gz ACXNQEDKIMVPTE-SNVBAGLBSA-N -1 3 312.304 2.924 20 0 DFADHM C[C@@H](OC(=O)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736160906 598490577 /nfs/dbraw/zinc/49/05/77/598490577.db2.gz ACXNQEDKIMVPTE-SNVBAGLBSA-N -1 3 312.304 2.924 20 0 DFADHM C[C@@H](OC(=O)COc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156074 598490955 /nfs/dbraw/zinc/49/09/55/598490955.db2.gz TXVMTUXJMXOKSM-GFCCVEGCSA-N -1 3 324.340 2.550 20 0 DFADHM C[C@@H](OC(=O)COc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156074 598490956 /nfs/dbraw/zinc/49/09/56/598490956.db2.gz TXVMTUXJMXOKSM-GFCCVEGCSA-N -1 3 324.340 2.550 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737196662 598515401 /nfs/dbraw/zinc/51/54/01/598515401.db2.gz WPIPGYZVZLDDHV-MGCOHNPYSA-N -1 3 318.356 2.706 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737196662 598515403 /nfs/dbraw/zinc/51/54/03/598515403.db2.gz WPIPGYZVZLDDHV-MGCOHNPYSA-N -1 3 318.356 2.706 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1cnc2ccccc2n1 ZINC000737221146 598551334 /nfs/dbraw/zinc/55/13/34/598551334.db2.gz JDVLXAZIWHKQNB-UHFFFAOYSA-N -1 3 304.313 2.911 20 0 DFADHM C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736225309 598631976 /nfs/dbraw/zinc/63/19/76/598631976.db2.gz QHHLZIOCZDTTOM-UWVGGRQHSA-N -1 3 318.356 2.516 20 0 DFADHM C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736225309 598631979 /nfs/dbraw/zinc/63/19/79/598631979.db2.gz QHHLZIOCZDTTOM-UWVGGRQHSA-N -1 3 318.356 2.516 20 0 DFADHM CCCCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC000736451044 598632664 /nfs/dbraw/zinc/63/26/64/598632664.db2.gz GBCVLDMPHWEPHH-UHFFFAOYSA-N -1 3 318.356 2.802 20 0 DFADHM CCCCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC000736451044 598632662 /nfs/dbraw/zinc/63/26/62/598632662.db2.gz GBCVLDMPHWEPHH-UHFFFAOYSA-N -1 3 318.356 2.802 20 0 DFADHM Fc1ccc(OCCNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737656844 598633589 /nfs/dbraw/zinc/63/35/89/598633589.db2.gz PPYMYVLFSDWNFN-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1ccc(OCCNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737656844 598633590 /nfs/dbraw/zinc/63/35/90/598633590.db2.gz PPYMYVLFSDWNFN-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM CCO[C@@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000736608455 598635097 /nfs/dbraw/zinc/63/50/97/598635097.db2.gz KQBCBOWCPHYWBF-SNVBAGLBSA-N -1 3 307.785 2.525 20 0 DFADHM CCO[C@@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000736608455 598635099 /nfs/dbraw/zinc/63/50/99/598635099.db2.gz KQBCBOWCPHYWBF-SNVBAGLBSA-N -1 3 307.785 2.525 20 0 DFADHM Cc1nc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000737471569 598637651 /nfs/dbraw/zinc/63/76/51/598637651.db2.gz JWBJWKXARNGUNS-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1nc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000737471569 598637652 /nfs/dbraw/zinc/63/76/52/598637652.db2.gz JWBJWKXARNGUNS-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735747373 598661329 /nfs/dbraw/zinc/66/13/29/598661329.db2.gz CRPCNVUPSWVBCU-HUUCEWRRSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735747373 598661331 /nfs/dbraw/zinc/66/13/31/598661331.db2.gz CRPCNVUPSWVBCU-HUUCEWRRSA-N -1 3 313.405 2.811 20 0 DFADHM C[C@H]1Cc2ccccc2N1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736298495 598677024 /nfs/dbraw/zinc/67/70/24/598677024.db2.gz QMOGCIFXWUCROZ-NSHDSACASA-N -1 3 309.348 2.957 20 0 DFADHM C[C@H]1Cc2ccccc2N1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736298495 598677025 /nfs/dbraw/zinc/67/70/25/598677025.db2.gz QMOGCIFXWUCROZ-NSHDSACASA-N -1 3 309.348 2.957 20 0 DFADHM Fc1ccc(CN2CCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000737652515 598677720 /nfs/dbraw/zinc/67/77/20/598677720.db2.gz XWQFIODFNBANAZ-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM Fc1ccc(CN2CCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000737652515 598677722 /nfs/dbraw/zinc/67/77/22/598677722.db2.gz XWQFIODFNBANAZ-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)[C@H](O)c1ccc(F)cc1 ZINC000736139141 598679002 /nfs/dbraw/zinc/67/90/02/598679002.db2.gz OTCWPUYIDDLCEJ-BMIGLBTASA-N -1 3 313.336 2.540 20 0 DFADHM Fc1ccc(CSC[C@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC000737648939 598695777 /nfs/dbraw/zinc/69/57/77/598695777.db2.gz KSSGJKXBRQZCER-GFCCVEGCSA-N -1 3 308.382 2.808 20 0 DFADHM Fc1ccc(CSC[C@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC000737648939 598695779 /nfs/dbraw/zinc/69/57/79/598695779.db2.gz KSSGJKXBRQZCER-GFCCVEGCSA-N -1 3 308.382 2.808 20 0 DFADHM Fc1ccc(CSCCc2ccccn2)c(-c2nnn[n-]2)c1 ZINC000737651216 598697270 /nfs/dbraw/zinc/69/72/70/598697270.db2.gz UXCCPYSLCUNZHS-UHFFFAOYSA-N -1 3 315.377 2.877 20 0 DFADHM Fc1ccc(CSCCc2ccccn2)c(-c2nn[n-]n2)c1 ZINC000737651216 598697271 /nfs/dbraw/zinc/69/72/71/598697271.db2.gz UXCCPYSLCUNZHS-UHFFFAOYSA-N -1 3 315.377 2.877 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737797566 598703668 /nfs/dbraw/zinc/70/36/68/598703668.db2.gz JRMWSIPPBRIQIU-TWGQIWQCSA-N -1 3 324.315 2.762 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737797566 598703669 /nfs/dbraw/zinc/70/36/69/598703669.db2.gz JRMWSIPPBRIQIU-TWGQIWQCSA-N -1 3 324.315 2.762 20 0 DFADHM O=C(C=C1CCCCC1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737791936 598709979 /nfs/dbraw/zinc/70/99/79/598709979.db2.gz LNRRQJHNOJMXKF-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM O=C(C=C1CCCCC1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737791936 598709980 /nfs/dbraw/zinc/70/99/80/598709980.db2.gz LNRRQJHNOJMXKF-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM Fc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737648534 598756428 /nfs/dbraw/zinc/75/64/28/598756428.db2.gz KRCVFXGBVFRZNV-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCC3CCC3)c2c1 ZINC000737643898 598770829 /nfs/dbraw/zinc/77/08/29/598770829.db2.gz HLOKHPFOAMEMAW-UHFFFAOYSA-N -1 3 316.315 2.905 20 0 DFADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCC3CCC3)c2c1 ZINC000737643898 598770830 /nfs/dbraw/zinc/77/08/30/598770830.db2.gz HLOKHPFOAMEMAW-UHFFFAOYSA-N -1 3 316.315 2.905 20 0 DFADHM Fc1cccc(CCNc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000737664980 598775336 /nfs/dbraw/zinc/77/53/36/598775336.db2.gz GYVSAFXMXSCNKR-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM CC(C)c1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ncn1 ZINC000735923013 598787170 /nfs/dbraw/zinc/78/71/70/598787170.db2.gz RQZJLXAAQAJJRS-UHFFFAOYSA-N -1 3 313.340 2.531 20 0 DFADHM CC(C)c1cc(NCc2ccc(-c3nn[n-]n3)cc2F)ncn1 ZINC000735923013 598787171 /nfs/dbraw/zinc/78/71/71/598787171.db2.gz RQZJLXAAQAJJRS-UHFFFAOYSA-N -1 3 313.340 2.531 20 0 DFADHM CC1(C)CCCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736210800 598789828 /nfs/dbraw/zinc/78/98/28/598789828.db2.gz IRBOIVKBBODRGK-UHFFFAOYSA-N -1 3 316.434 2.686 20 0 DFADHM CC1(C)CCCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736210800 598789829 /nfs/dbraw/zinc/78/98/29/598789829.db2.gz IRBOIVKBBODRGK-UHFFFAOYSA-N -1 3 316.434 2.686 20 0 DFADHM CC(C)COCCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735838493 598791126 /nfs/dbraw/zinc/79/11/26/598791126.db2.gz RFVKQSHXZOYBCD-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM CC(C)COCCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735838493 598791127 /nfs/dbraw/zinc/79/11/27/598791127.db2.gz RFVKQSHXZOYBCD-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM Cc1ccoc1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000737442836 598793350 /nfs/dbraw/zinc/79/33/50/598793350.db2.gz QMFFDXVXXWYMDI-UHFFFAOYSA-N -1 3 303.347 2.699 20 0 DFADHM Cc1ccoc1C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000737442836 598793351 /nfs/dbraw/zinc/79/33/51/598793351.db2.gz QMFFDXVXXWYMDI-UHFFFAOYSA-N -1 3 303.347 2.699 20 0 DFADHM CN(C[C@@H]1CCCCO1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736793938 598794062 /nfs/dbraw/zinc/79/40/62/598794062.db2.gz OVHJUXJHWUYNCD-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CN(C[C@@H]1CCCCO1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736793938 598794063 /nfs/dbraw/zinc/79/40/63/598794063.db2.gz OVHJUXJHWUYNCD-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM Cc1noc(C)c1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737537353 598794965 /nfs/dbraw/zinc/79/49/65/598794965.db2.gz OFZRNHARJWJIRR-UHFFFAOYSA-N -1 3 304.741 2.737 20 0 DFADHM Cc1noc(C)c1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737537353 598794967 /nfs/dbraw/zinc/79/49/67/598794967.db2.gz OFZRNHARJWJIRR-UHFFFAOYSA-N -1 3 304.741 2.737 20 0 DFADHM O=C(NC/C=C/c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738052591 598799096 /nfs/dbraw/zinc/79/90/96/598799096.db2.gz UEGRPXPWMVKLPA-QPJJXVBHSA-N -1 3 320.356 2.702 20 0 DFADHM O=C(NC/C=C/c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738052591 598799098 /nfs/dbraw/zinc/79/90/98/598799098.db2.gz UEGRPXPWMVKLPA-QPJJXVBHSA-N -1 3 320.356 2.702 20 0 DFADHM Cc1ccoc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737443477 598811041 /nfs/dbraw/zinc/81/10/41/598811041.db2.gz WSLDSEGUMGXDHM-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM Cc1ccoc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737443477 598811043 /nfs/dbraw/zinc/81/10/43/598811043.db2.gz WSLDSEGUMGXDHM-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ncc(C(C)C)o1 ZINC000737033316 598820945 /nfs/dbraw/zinc/82/09/45/598820945.db2.gz XCJBFETUIKJYSA-UHFFFAOYSA-N -1 3 315.333 2.566 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ncc(C(C)C)o1 ZINC000737033316 598820946 /nfs/dbraw/zinc/82/09/46/598820946.db2.gz XCJBFETUIKJYSA-UHFFFAOYSA-N -1 3 315.333 2.566 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000735597459 599305095 /nfs/dbraw/zinc/30/50/95/599305095.db2.gz PASTXVWZEQZUTA-RISCZKNCSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000735597459 599305099 /nfs/dbraw/zinc/30/50/99/599305099.db2.gz PASTXVWZEQZUTA-RISCZKNCSA-N -1 3 316.409 2.515 20 0 DFADHM COc1cccc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000821854756 599308836 /nfs/dbraw/zinc/30/88/36/599308836.db2.gz UKOKJGCAVDANTI-UHFFFAOYSA-N -1 3 320.312 2.592 20 0 DFADHM COc1cccc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000821854756 599308838 /nfs/dbraw/zinc/30/88/38/599308838.db2.gz UKOKJGCAVDANTI-UHFFFAOYSA-N -1 3 320.312 2.592 20 0 DFADHM CCc1nc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000736703774 599326499 /nfs/dbraw/zinc/32/64/99/599326499.db2.gz GIDXZWKVWUXVMU-SECBINFHSA-N -1 3 316.390 2.807 20 0 DFADHM CCc1nc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000736703774 599326502 /nfs/dbraw/zinc/32/65/02/599326502.db2.gz GIDXZWKVWUXVMU-SECBINFHSA-N -1 3 316.390 2.807 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCCOc1cccc(F)c1 ZINC000737296769 599329270 /nfs/dbraw/zinc/32/92/70/599329270.db2.gz OMBRPTZFGWNAKQ-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCCOc1cccc(F)c1 ZINC000737296769 599329272 /nfs/dbraw/zinc/32/92/72/599329272.db2.gz OMBRPTZFGWNAKQ-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000821016566 599344586 /nfs/dbraw/zinc/34/45/86/599344586.db2.gz XOGSDIYZOCPGKC-WDEREUQCSA-N -1 3 319.434 2.652 20 0 DFADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000821016566 599344588 /nfs/dbraw/zinc/34/45/88/599344588.db2.gz XOGSDIYZOCPGKC-WDEREUQCSA-N -1 3 319.434 2.652 20 0 DFADHM CC1CCN(c2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000736276227 599361421 /nfs/dbraw/zinc/36/14/21/599361421.db2.gz NFDDMFFTQYOOPF-UHFFFAOYSA-N -1 3 322.210 2.866 20 0 DFADHM CC1CCN(c2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000736276227 599361423 /nfs/dbraw/zinc/36/14/23/599361423.db2.gz NFDDMFFTQYOOPF-UHFFFAOYSA-N -1 3 322.210 2.866 20 0 DFADHM Fc1cccc(NCCc2nc3ccccc3o2)c1-c1nnn[n-]1 ZINC000822790943 599361444 /nfs/dbraw/zinc/36/14/44/599361444.db2.gz ATYRKUFONFIYJF-UHFFFAOYSA-N -1 3 324.319 2.802 20 0 DFADHM Fc1cccc(NCCc2nc3ccccc3o2)c1-c1nn[n-]n1 ZINC000822790943 599361447 /nfs/dbraw/zinc/36/14/47/599361447.db2.gz ATYRKUFONFIYJF-UHFFFAOYSA-N -1 3 324.319 2.802 20 0 DFADHM C[C@@H](Nc1ccc(CCO)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820454979 599376124 /nfs/dbraw/zinc/37/61/24/599376124.db2.gz AIFHTWCVJPPXOE-GFCCVEGCSA-N -1 3 309.373 2.575 20 0 DFADHM C[C@@H](Nc1ccc(CCO)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820454979 599376127 /nfs/dbraw/zinc/37/61/27/599376127.db2.gz AIFHTWCVJPPXOE-GFCCVEGCSA-N -1 3 309.373 2.575 20 0 DFADHM COCCCCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821687066 599383798 /nfs/dbraw/zinc/38/37/98/599383798.db2.gz MUJHWFPDXOFOEO-UHFFFAOYSA-N -1 3 312.377 2.547 20 0 DFADHM COCCCCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821687066 599383801 /nfs/dbraw/zinc/38/38/01/599383801.db2.gz MUJHWFPDXOFOEO-UHFFFAOYSA-N -1 3 312.377 2.547 20 0 DFADHM COc1ccc(C)cc1[C@H](C)NCc1ccc(-c2nnn[n-]2)o1 ZINC000821782428 599396091 /nfs/dbraw/zinc/39/60/91/599396091.db2.gz FBHRKKXWGVENSO-NSHDSACASA-N -1 3 313.361 2.628 20 0 DFADHM COc1ccc(C)cc1[C@H](C)NCc1ccc(-c2nn[n-]n2)o1 ZINC000821782428 599396094 /nfs/dbraw/zinc/39/60/94/599396094.db2.gz FBHRKKXWGVENSO-NSHDSACASA-N -1 3 313.361 2.628 20 0 DFADHM c1cc(-c2nnn[n-]2)oc1CN[C@H]1CSCc2ccccc21 ZINC000823802648 599418452 /nfs/dbraw/zinc/41/84/52/599418452.db2.gz WKUQPSXPOCNBOL-ZDUSSCGKSA-N -1 3 313.386 2.537 20 0 DFADHM c1cc(-c2nn[n-]n2)oc1CN[C@H]1CSCc2ccccc21 ZINC000823802648 599418456 /nfs/dbraw/zinc/41/84/56/599418456.db2.gz WKUQPSXPOCNBOL-ZDUSSCGKSA-N -1 3 313.386 2.537 20 0 DFADHM CC(C)(C)C[C@H](O)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735604765 599440853 /nfs/dbraw/zinc/44/08/53/599440853.db2.gz YJWNRLWAZHMZBJ-JTQLQIEISA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)(C)C[C@H](O)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735604765 599440854 /nfs/dbraw/zinc/44/08/54/599440854.db2.gz YJWNRLWAZHMZBJ-JTQLQIEISA-N -1 3 309.801 2.729 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1cccc(F)c1F ZINC000822761331 599459553 /nfs/dbraw/zinc/45/95/53/599459553.db2.gz ITPMNTXZHITIPP-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM Cc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cn1 ZINC000822238827 599480690 /nfs/dbraw/zinc/48/06/90/599480690.db2.gz WJHWAQRQDMSRPV-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cn1 ZINC000822238827 599480692 /nfs/dbraw/zinc/48/06/92/599480692.db2.gz WJHWAQRQDMSRPV-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Fc1ccc(N2CC[C@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822779528 599504498 /nfs/dbraw/zinc/50/44/98/599504498.db2.gz VUQZEQJXVKMKEP-ZDUSSCGKSA-N -1 3 309.348 3.000 20 0 DFADHM Fc1ccc(N2CC[C@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822779528 599504501 /nfs/dbraw/zinc/50/45/01/599504501.db2.gz VUQZEQJXVKMKEP-ZDUSSCGKSA-N -1 3 309.348 3.000 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H](C)c2cccc(O)c2)n1 ZINC000822193011 599517257 /nfs/dbraw/zinc/51/72/57/599517257.db2.gz IIOFQVXDIBAGDQ-LLVKDONJSA-N -1 3 310.361 2.757 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H](C)c2cccc(O)c2)n1 ZINC000822193011 599517258 /nfs/dbraw/zinc/51/72/58/599517258.db2.gz IIOFQVXDIBAGDQ-LLVKDONJSA-N -1 3 310.361 2.757 20 0 DFADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccccn1 ZINC000737627928 599519329 /nfs/dbraw/zinc/51/93/29/599519329.db2.gz RTZAOQGVSLREPZ-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000736189980 599521730 /nfs/dbraw/zinc/52/17/30/599521730.db2.gz DPPDXQASDJNNEE-SECBINFHSA-N -1 3 306.391 2.689 20 0 DFADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000736189980 599521733 /nfs/dbraw/zinc/52/17/33/599521733.db2.gz DPPDXQASDJNNEE-SECBINFHSA-N -1 3 306.391 2.689 20 0 DFADHM CC1(C)CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820597132 599523834 /nfs/dbraw/zinc/52/38/34/599523834.db2.gz ZBOXPDJIRWTZFO-UHFFFAOYSA-N -1 3 312.299 2.659 20 0 DFADHM CC1(C)CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820597132 599523836 /nfs/dbraw/zinc/52/38/36/599523836.db2.gz ZBOXPDJIRWTZFO-UHFFFAOYSA-N -1 3 312.299 2.659 20 0 DFADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC000737422788 599526617 /nfs/dbraw/zinc/52/66/17/599526617.db2.gz OCFDGDCFOVJETK-KGLIPLIRSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC000737422788 599526619 /nfs/dbraw/zinc/52/66/19/599526619.db2.gz OCFDGDCFOVJETK-KGLIPLIRSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC000737422797 599527096 /nfs/dbraw/zinc/52/70/96/599527096.db2.gz 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ZINC000826254745 607410174 /nfs/dbraw/zinc/41/01/74/607410174.db2.gz ZAAUWYCTUNNTTI-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM CCN(CC)Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])o2)o1 ZINC000737088926 599968996 /nfs/dbraw/zinc/96/89/96/599968996.db2.gz UTZKRKWNUQKUHH-UHFFFAOYSA-N -1 3 321.329 2.770 20 0 DFADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1CCCC(C)(C)C1 ZINC000826358345 607414670 /nfs/dbraw/zinc/41/46/70/607414670.db2.gz PTWJRGWLBGHIKO-NSHDSACASA-N -1 3 317.393 2.578 20 0 DFADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1CCCC(C)(C)C1 ZINC000826358345 607414672 /nfs/dbraw/zinc/41/46/72/607414672.db2.gz PTWJRGWLBGHIKO-NSHDSACASA-N -1 3 317.393 2.578 20 0 DFADHM CCCN(C)CC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000737007660 600102532 /nfs/dbraw/zinc/10/25/32/600102532.db2.gz KASYWTDUFONUQY-UHFFFAOYSA-N -1 3 320.414 2.558 20 0 DFADHM CC(C)(C)/C=C/C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824077946 607426321 /nfs/dbraw/zinc/42/63/21/607426321.db2.gz GBQOWTPYFFGHHE-BQYQJAHWSA-N -1 3 311.389 2.574 20 0 DFADHM CC(C)(C)/C=C/C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824077946 607426322 /nfs/dbraw/zinc/42/63/22/607426322.db2.gz GBQOWTPYFFGHHE-BQYQJAHWSA-N -1 3 311.389 2.574 20 0 DFADHM CN(CC[S@](=O)c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737450016 600210677 /nfs/dbraw/zinc/21/06/77/600210677.db2.gz WUNAQUGZSSFKGA-ZHRRBRCNSA-N -1 3 317.410 2.552 20 0 DFADHM CC(C)N(CCC(=O)[O-])CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000736466187 600220828 /nfs/dbraw/zinc/22/08/28/600220828.db2.gz QOQJMHMELLCXNP-ZDUSSCGKSA-N -1 3 324.396 2.530 20 0 DFADHM CCC[C@](C)(NCc1nccn1Cc1ccccc1)C(=O)[O-] ZINC000736958394 600323865 /nfs/dbraw/zinc/32/38/65/600323865.db2.gz ARVOAAIQXQQUBH-KRWDZBQOSA-N -1 3 301.390 2.664 20 0 DFADHM CN(C(=O)/C=C\C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812750 607438587 /nfs/dbraw/zinc/43/85/87/607438587.db2.gz SRQSEOQMNUCFOC-GHXNOFRVSA-N -1 3 311.389 2.966 20 0 DFADHM CN(C(=O)/C=C\C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812750 607438589 /nfs/dbraw/zinc/43/85/89/607438589.db2.gz SRQSEOQMNUCFOC-GHXNOFRVSA-N -1 3 311.389 2.966 20 0 DFADHM CN(C(=O)c1ccc2cc[nH]c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829540 607438836 /nfs/dbraw/zinc/43/88/36/607438836.db2.gz GKTPEZZGZNSJBI-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CN(C(=O)c1ccc2cc[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829540 607438839 /nfs/dbraw/zinc/43/88/39/607438839.db2.gz GKTPEZZGZNSJBI-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CC(C)c1ccccc1NC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000736573887 600364121 /nfs/dbraw/zinc/36/41/21/600364121.db2.gz YCZSIRHVECFGFO-QWHCGFSZSA-N -1 3 306.406 2.790 20 0 DFADHM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)N1CCCCCC1 ZINC000736211770 600382887 /nfs/dbraw/zinc/38/28/87/600382887.db2.gz NQVSIXYFSGDNMO-ZBFHGGJFSA-N -1 3 318.417 2.583 20 0 DFADHM Cc1cc(C)c(NC(=O)CN(CCC(=O)[O-])C(C)C)c(C)c1 ZINC000314620095 600444812 /nfs/dbraw/zinc/44/48/12/600444812.db2.gz WJEVJCREXVHGHF-UHFFFAOYSA-N -1 3 306.406 2.735 20 0 DFADHM CCCCCCN(C)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000736982844 600484589 /nfs/dbraw/zinc/48/45/89/600484589.db2.gz DEFPWZMPRKHEDW-JYJNAYRXSA-N -1 3 324.465 2.743 20 0 DFADHM Cc1cccc(OCCN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832975835 600733162 /nfs/dbraw/zinc/73/31/62/600733162.db2.gz ZCDUDBKWCLFSFB-INIZCTEOSA-N -1 3 303.333 2.928 20 0 DFADHM C[C@@H](COCC(F)(F)F)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000827517288 600743960 /nfs/dbraw/zinc/74/39/60/600743960.db2.gz JINXHDFPISSXMP-GZMMTYOYSA-N -1 3 309.259 2.508 20 0 DFADHM CC(=O)Nc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000825917285 600754721 /nfs/dbraw/zinc/75/47/21/600754721.db2.gz HTMJBIMDAIRZEG-MRXNPFEDSA-N -1 3 316.332 2.700 20 0 DFADHM CC(C)(C)C[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819906641 607468816 /nfs/dbraw/zinc/46/88/16/607468816.db2.gz IFPDHIDIMRMGCL-JTQLQIEISA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)(C)C[C@@H](CO)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819906641 607468818 /nfs/dbraw/zinc/46/88/18/607468818.db2.gz IFPDHIDIMRMGCL-JTQLQIEISA-N -1 3 309.801 2.729 20 0 DFADHM COc1ccc(-c2nc(CN[C@@](C)(C(=O)[O-])C3CC3)co2)cc1 ZINC000832130065 601040573 /nfs/dbraw/zinc/04/05/73/601040573.db2.gz WEAPWZYACOCKPN-QGZVFWFLSA-N -1 3 316.357 2.693 20 0 DFADHM COc1ccc(OC)c([C@@H]2CCCN2C/C=C(\C)C(=O)[O-])c1 ZINC000832431492 601048796 /nfs/dbraw/zinc/04/87/96/601048796.db2.gz QJWBBJYDAWPSQN-JQVXPOPVSA-N -1 3 305.374 2.872 20 0 DFADHM C/C(=C\CN(Cc1cccc(F)c1)C[C@@H]1CCCO1)C(=O)[O-] ZINC000825730070 601053406 /nfs/dbraw/zinc/05/34/06/601053406.db2.gz QPMOGOWRHHPRHF-UDYBNVKDSA-N -1 3 307.365 2.838 20 0 DFADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832932045 601148430 /nfs/dbraw/zinc/14/84/30/601148430.db2.gz FSLIUPHPYOJLSE-LSDHHAIUSA-N -1 3 318.417 2.886 20 0 DFADHM C/C(=C\CN1CCN(c2ccc(C)c(C)c2)C[C@H]1C)C(=O)[O-] ZINC000825746427 601180468 /nfs/dbraw/zinc/18/04/68/601180468.db2.gz IFTJIIWLLFOBKQ-SNQWNFELSA-N -1 3 302.418 2.845 20 0 DFADHM CC(C)c1ncc(C(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000820206225 607493929 /nfs/dbraw/zinc/49/39/29/607493929.db2.gz 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601404961 /nfs/dbraw/zinc/40/49/61/601404961.db2.gz JOZWDWIGDIAPFA-UHFFFAOYSA-N -1 3 322.409 2.828 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1CCC(n2cccn2)CC1 ZINC000830369072 601418405 /nfs/dbraw/zinc/41/84/05/601418405.db2.gz IQTHQBYXEHSAHU-UHFFFAOYSA-N -1 3 303.362 2.574 20 0 DFADHM Cc1[nH]c(C(=O)CN2C[C@H]3CCCC[C@@H]3C2)c(C)c1C(=O)[O-] ZINC000832843832 601425627 /nfs/dbraw/zinc/42/56/27/601425627.db2.gz HNMMNEDCPBIUEU-CHWSQXEVSA-N -1 3 304.390 2.634 20 0 DFADHM C[C@H]1CN(CC(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000828438857 601504814 /nfs/dbraw/zinc/50/48/14/601504814.db2.gz GFFRUXPEKBGQKO-SWLSCSKDSA-N -1 3 318.417 2.575 20 0 DFADHM Cc1ccc(NC(=O)N(CCN(C)C)CC(C)C)cc1C(=O)[O-] ZINC000320531932 601588292 /nfs/dbraw/zinc/58/82/92/601588292.db2.gz DWPXTEYDCOHIRX-UHFFFAOYSA-N -1 3 321.421 2.745 20 0 DFADHM C/C(=C/CN(Cc1ccccc1)C[C@@H](O)c1ccco1)C(=O)[O-] ZINC000825729968 601611287 /nfs/dbraw/zinc/61/12/87/601611287.db2.gz OQDJUEAYEWJCPD-IHWMJMDHSA-N -1 3 315.369 2.846 20 0 DFADHM 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/nfs/dbraw/zinc/56/41/05/607564105.db2.gz YQCBCZSFAOGQLW-UHFFFAOYSA-N -1 3 317.356 2.869 20 0 DFADHM CN(C(=O)[O-])C1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000737936812 602537947 /nfs/dbraw/zinc/53/79/47/602537947.db2.gz BZEPUJCZXQAAIE-UHFFFAOYSA-N -1 3 314.332 2.862 20 0 DFADHM Cc1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1NC(=O)[O-] ZINC000830193733 602837908 /nfs/dbraw/zinc/83/79/08/602837908.db2.gz ZXCRGPAKLPJAPQ-UHFFFAOYSA-N -1 3 319.405 2.641 20 0 DFADHM O=C([O-])Nc1ccc(F)c(NC(=O)NCCN2CCCCC2)c1 ZINC000740703636 603043646 /nfs/dbraw/zinc/04/36/46/603043646.db2.gz DFJSLDBVTJASBD-UHFFFAOYSA-N -1 3 324.356 2.523 20 0 DFADHM CCC[C@@H](C)CC(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825232788 607603215 /nfs/dbraw/zinc/60/32/15/607603215.db2.gz KJTOUAKAPIDZEM-LLVKDONJSA-N -1 3 318.377 2.745 20 0 DFADHM CCC[C@@H](C)CC(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825232788 607603216 /nfs/dbraw/zinc/60/32/16/607603216.db2.gz KJTOUAKAPIDZEM-LLVKDONJSA-N -1 3 318.377 2.745 20 0 DFADHM CCC(C)(C)CC(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 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COCc1ccc(CNCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000829040796 603535829 /nfs/dbraw/zinc/53/58/29/603535829.db2.gz RSALXUDFSWDAEE-UHFFFAOYSA-N -1 3 301.346 2.608 20 0 DFADHM C[C@H]1CCCC[C@@H]1OCCNCc1ccc(NC(=O)[O-])nc1 ZINC000825897637 603538042 /nfs/dbraw/zinc/53/80/42/603538042.db2.gz YSTRCIPIOGJLEA-JSGCOSHPSA-N -1 3 307.394 2.856 20 0 DFADHM CO[C@H](CNCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000828848757 603541553 /nfs/dbraw/zinc/54/15/53/603541553.db2.gz AVPUDDPDOLSCPS-CQSZACIVSA-N -1 3 301.346 2.649 20 0 DFADHM O=C([O-])Nc1ccc(CNCc2ccc(-n3ccnc3)cc2)cn1 ZINC000832842239 603545471 /nfs/dbraw/zinc/54/54/71/603545471.db2.gz RSFCTTCBAJKEJJ-UHFFFAOYSA-N -1 3 323.356 2.647 20 0 DFADHM O=C([O-])N1CCC(N(Cc2cccc(Cl)n2)C2CC2)CC1 ZINC000831941882 603558530 /nfs/dbraw/zinc/55/85/30/603558530.db2.gz IZXKLZQJNQZSKR-UHFFFAOYSA-N -1 3 309.797 2.842 20 0 DFADHM O=C([O-])Nc1ccc(CNC[C@@H]2OCCc3sccc32)cn1 ZINC000832842378 603558900 /nfs/dbraw/zinc/55/89/00/603558900.db2.gz WMQYOHFJOHBINX-LBPRGKRZSA-N -1 3 319.386 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/nfs/dbraw/zinc/65/86/76/607658676.db2.gz NEJUOYCHTDMEIQ-UHFFFAOYSA-N -1 3 311.370 2.545 20 0 DFADHM CCc1noc(C)c1CN[C@]1(CNC(=O)[O-])CCCC[C@H]1C ZINC000827670146 603906962 /nfs/dbraw/zinc/90/69/62/603906962.db2.gz LUYDPDKCJIVADE-BZNIZROVSA-N -1 3 309.410 2.852 20 0 DFADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825194714 607662408 /nfs/dbraw/zinc/66/24/08/607662408.db2.gz SEDXSWPCKIICIN-WFASDCNBSA-N -1 3 313.405 2.874 20 0 DFADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825194714 607662410 /nfs/dbraw/zinc/66/24/10/607662410.db2.gz SEDXSWPCKIICIN-WFASDCNBSA-N -1 3 313.405 2.874 20 0 DFADHM Cc1cc(C)cc([C@@H](O)CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000829996496 603978521 /nfs/dbraw/zinc/97/85/21/603978521.db2.gz ALSJOEFCWVYFAW-IKGGRYGDSA-N -1 3 318.417 2.554 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000826248056 607670793 /nfs/dbraw/zinc/67/07/93/607670793.db2.gz VHLWXEGCTHUVMS-WCQYABFASA-N -1 3 313.405 2.731 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000826248056 607670795 /nfs/dbraw/zinc/67/07/95/607670795.db2.gz VHLWXEGCTHUVMS-WCQYABFASA-N -1 3 313.405 2.731 20 0 DFADHM COc1c(C)cnc(CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1C ZINC000829067289 604177482 /nfs/dbraw/zinc/17/74/82/604177482.db2.gz UEJPPQNCYXVCQV-UONOGXRCSA-N -1 3 321.421 2.575 20 0 DFADHM CC(C)c1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824347450 607682444 /nfs/dbraw/zinc/68/24/44/607682444.db2.gz AXVLRBSHPCERGM-UHFFFAOYSA-N -1 3 324.388 2.590 20 0 DFADHM CC(C)c1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824347450 607682445 /nfs/dbraw/zinc/68/24/45/607682445.db2.gz AXVLRBSHPCERGM-UHFFFAOYSA-N -1 3 324.388 2.590 20 0 DFADHM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826453292 607680810 /nfs/dbraw/zinc/68/08/10/607680810.db2.gz FRJBZDRSHUYVDI-UHFFFAOYSA-N -1 3 323.143 2.754 20 0 DFADHM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826453292 607680812 /nfs/dbraw/zinc/68/08/12/607680812.db2.gz FRJBZDRSHUYVDI-UHFFFAOYSA-N -1 3 323.143 2.754 20 0 DFADHM Cc1cccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826299264 607681615 /nfs/dbraw/zinc/68/16/15/607681615.db2.gz XQQNMNGFUPDGAZ-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM Cc1cccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826299264 607681616 /nfs/dbraw/zinc/68/16/16/607681616.db2.gz XQQNMNGFUPDGAZ-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM COc1ccc2c(c1)nccc2N[C@H]1CCCN(C(=O)[O-])C1 ZINC000832487307 604263973 /nfs/dbraw/zinc/26/39/73/604263973.db2.gz XABSWMIZXZYTSJ-NSHDSACASA-N -1 3 301.346 2.798 20 0 DFADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cnn(-c2ccccc2)c1 ZINC000825480446 604327226 /nfs/dbraw/zinc/32/72/26/604327226.db2.gz YGBLCRJCZJLBNT-UKRRQHHQSA-N -1 3 314.389 2.665 20 0 DFADHM COc1ccc(OC)c([C@H](C)NC[C@H](NC(=O)[O-])C(C)C)c1 ZINC000829494789 604334409 /nfs/dbraw/zinc/33/44/09/604334409.db2.gz WETGDOASPUTBFA-FZMZJTMJSA-N -1 3 310.394 2.647 20 0 DFADHM CN(C[C@@H]1CCCN(Cc2cccc3nsnc32)C1)C(=O)[O-] ZINC000828179790 604336365 /nfs/dbraw/zinc/33/63/65/604336365.db2.gz CVIBJANMVUMVLX-NSHDSACASA-N -1 3 320.418 2.513 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccccc1 ZINC000826246975 607686374 /nfs/dbraw/zinc/68/63/74/607686374.db2.gz QFKIERSIWQTUNM-GFCCVEGCSA-N -1 3 307.357 2.666 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccccc1 ZINC000826246975 607686376 /nfs/dbraw/zinc/68/63/76/607686376.db2.gz QFKIERSIWQTUNM-GFCCVEGCSA-N -1 3 307.357 2.666 20 0 DFADHM C[C@@H]1CN(CCOc2cccc(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000826058512 604348457 /nfs/dbraw/zinc/34/84/57/604348457.db2.gz PDBQEYXVOVLNRE-BXUZGUMPSA-N -1 3 312.797 2.697 20 0 DFADHM O=C([O-])NCCN(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000832637037 604371686 /nfs/dbraw/zinc/37/16/86/604371686.db2.gz YPYCLJFJNXRCJV-CQSZACIVSA-N -1 3 320.414 2.551 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000826243955 607694628 /nfs/dbraw/zinc/69/46/28/607694628.db2.gz BTAMHYUXGWTDKA-WCQYABFASA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000826243955 607694630 /nfs/dbraw/zinc/69/46/30/607694630.db2.gz BTAMHYUXGWTDKA-WCQYABFASA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000826246440 607694740 /nfs/dbraw/zinc/69/47/40/607694740.db2.gz DETGVVDGPIECJX-GHMZBOCLSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000826246440 607694741 /nfs/dbraw/zinc/69/47/41/607694741.db2.gz DETGVVDGPIECJX-GHMZBOCLSA-N -1 3 313.405 2.730 20 0 DFADHM CC1CCC(N(C)C(=O)CNC2(C(=O)[O-])CCCCCC2)CC1 ZINC000833602991 604480502 /nfs/dbraw/zinc/48/05/02/604480502.db2.gz ILAJNVIIGANMPE-UHFFFAOYSA-N -1 3 324.465 2.791 20 0 DFADHM CC(C)CSCCCOC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824276065 607698895 /nfs/dbraw/zinc/69/88/95/607698895.db2.gz YUBVAYPRKGTKIS-UHFFFAOYSA-N -1 3 320.418 2.803 20 0 DFADHM CC(C)CSCCCOC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824276065 607698897 /nfs/dbraw/zinc/69/88/97/607698897.db2.gz YUBVAYPRKGTKIS-UHFFFAOYSA-N -1 3 320.418 2.803 20 0 DFADHM Cc1cc(CN2CCS[C@@H](C)C2)cc(C)c1OCC(=O)[O-] ZINC000833745944 604632044 /nfs/dbraw/zinc/63/20/44/604632044.db2.gz YPSOXTQSJYRMCM-ZDUSSCGKSA-N -1 3 309.431 2.704 20 0 DFADHM CCN(CC)c1ncc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)s1 ZINC000833654583 604647392 /nfs/dbraw/zinc/64/73/92/604647392.db2.gz VZEDTWPTIJKHDC-ZDUSSCGKSA-N -1 3 323.462 2.676 20 0 DFADHM C[C@H](Oc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1)C(=O)[O-] ZINC000833543597 604655559 /nfs/dbraw/zinc/65/55/59/604655559.db2.gz ZXMKXHGRQQBYON-FRRDWIJNSA-N -1 3 309.431 2.864 20 0 DFADHM C[C@H](CN(Cc1cnc(-c2ccccc2)nc1)C1CC1)C(=O)[O-] ZINC000827454779 604742374 /nfs/dbraw/zinc/74/23/74/604742374.db2.gz DKQIBWGLACTFGZ-CYBMUJFWSA-N -1 3 311.385 2.829 20 0 DFADHM CCCCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCCC1 ZINC000825281845 607712026 /nfs/dbraw/zinc/71/20/26/607712026.db2.gz KJRBSKKXCACYAS-UHFFFAOYSA-N -1 3 316.409 2.770 20 0 DFADHM CCCCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCCC1 ZINC000825281845 607712028 /nfs/dbraw/zinc/71/20/28/607712028.db2.gz KJRBSKKXCACYAS-UHFFFAOYSA-N -1 3 316.409 2.770 20 0 DFADHM C[C@]1(NCc2nc(-c3ccsc3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833568644 604814971 /nfs/dbraw/zinc/81/49/71/604814971.db2.gz GSPAZFYOYJWQGM-ABAIWWIYSA-N -1 3 321.402 2.921 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN(Cc2ccc(F)cc2)C2CC2)O1 ZINC000833585783 604822324 /nfs/dbraw/zinc/82/23/24/604822324.db2.gz YOVDYWAIWGSQRP-OAHLLOKOSA-N -1 3 305.349 2.938 20 0 DFADHM C[C@@H]1C[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)CN1C1CC1 ZINC000833597315 604832753 /nfs/dbraw/zinc/83/27/53/604832753.db2.gz KPNDCIXOIDCAEI-RQJHMYQMSA-N -1 3 301.799 2.532 20 0 DFADHM COc1ccc2c(c1)nccc2N1CCC(CNC(=O)[O-])CC1 ZINC000829515041 604878435 /nfs/dbraw/zinc/87/84/35/604878435.db2.gz CEDBRKRXMVGYIK-UHFFFAOYSA-N -1 3 315.373 2.727 20 0 DFADHM Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCCNC(=O)[O-] ZINC000830762366 604912841 /nfs/dbraw/zinc/91/28/41/604912841.db2.gz ZKTBZRLVSMAZBU-LLVKDONJSA-N -1 3 319.430 2.961 20 0 DFADHM C/C(=C\CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000833382717 604971990 /nfs/dbraw/zinc/97/19/90/604971990.db2.gz LIMLFQKKQYNZLB-INDWDQIESA-N -1 3 305.349 2.894 20 0 DFADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825066674 607726320 /nfs/dbraw/zinc/72/63/20/607726320.db2.gz DINAEKJSQPRMNO-LBPRGKRZSA-N -1 3 324.388 2.636 20 0 DFADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825066674 607726322 /nfs/dbraw/zinc/72/63/22/607726322.db2.gz DINAEKJSQPRMNO-LBPRGKRZSA-N -1 3 324.388 2.636 20 0 DFADHM COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C(=O)[O-])c1cccnc1 ZINC000832493867 604997596 /nfs/dbraw/zinc/99/75/96/604997596.db2.gz XRUCPKRUPLMBEG-DLBZAZTESA-N -1 3 312.369 2.883 20 0 DFADHM c1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCS2)cc1 ZINC000826520742 607729620 /nfs/dbraw/zinc/72/96/20/607729620.db2.gz QINBQDJZQGIDPF-HNNXBMFYSA-N -1 3 324.413 2.556 20 0 DFADHM c1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCS2)cc1 ZINC000826520742 607729622 /nfs/dbraw/zinc/72/96/22/607729622.db2.gz QINBQDJZQGIDPF-HNNXBMFYSA-N -1 3 324.413 2.556 20 0 DFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](Oc2cccnc2)C1 ZINC000833545927 605043427 /nfs/dbraw/zinc/04/34/27/605043427.db2.gz CFSHPDOZSKPUOY-YPMHNXCESA-N -1 3 302.330 2.587 20 0 DFADHM O=C([O-])CCCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000821523918 605082199 /nfs/dbraw/zinc/08/21/99/605082199.db2.gz LGFDDGVRBHJGKI-CHWSQXEVSA-N -1 3 317.307 2.678 20 0 DFADHM CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1ccc(C(=O)[O-])[nH]1 ZINC000833451770 605114778 /nfs/dbraw/zinc/11/47/78/605114778.db2.gz GRKNMTVMDTVJAC-ZDUSSCGKSA-N -1 3 316.405 2.832 20 0 DFADHM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1cc(C)cc(C)c1)C(=O)[O-] ZINC000833639389 605136556 /nfs/dbraw/zinc/13/65/56/605136556.db2.gz OFTLEOQMFWWAED-GRDNDAEWSA-N -1 3 320.433 2.570 20 0 DFADHM C[C@@H](CCC1CCCCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824400728 607739350 /nfs/dbraw/zinc/73/93/50/607739350.db2.gz LCGLWYJZUUMCKN-NSHDSACASA-N -1 3 316.409 2.674 20 0 DFADHM C[C@@H](CCC1CCCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824400728 607739351 /nfs/dbraw/zinc/73/93/51/607739351.db2.gz LCGLWYJZUUMCKN-NSHDSACASA-N -1 3 316.409 2.674 20 0 DFADHM C[C@]1(NCc2nnc(C3CC3)n2C2CC2)CCCC[C@@H]1C(=O)[O-] ZINC000833571454 605267721 /nfs/dbraw/zinc/26/77/21/605267721.db2.gz ZTOXYKRDBIHHMP-DYVFJYSZSA-N -1 3 318.421 2.614 20 0 DFADHM O=C([O-])NC1CCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC000834190035 605485398 /nfs/dbraw/zinc/48/53/98/605485398.db2.gz QMSPFKMBLJNIRA-UHFFFAOYSA-N -1 3 314.332 2.563 20 0 DFADHM Cc1ccn2cc(CN[C@@H](C)C[C@@H]3CCCN3C(=O)[O-])nc2c1 ZINC000830607327 605498295 /nfs/dbraw/zinc/49/82/95/605498295.db2.gz PEVSIDDERGMTGU-ZFWWWQNUSA-N -1 3 316.405 2.653 20 0 DFADHM Cc1cccc2nc(CN[C@@H](C)C[C@H]3CCCN3C(=O)[O-])cn21 ZINC000830546345 605501689 /nfs/dbraw/zinc/50/16/89/605501689.db2.gz RXFJYIZQPYNQJS-SWLSCSKDSA-N -1 3 316.405 2.653 20 0 DFADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nc3c(s2)CCC3)C1 ZINC000833419987 605552524 /nfs/dbraw/zinc/55/25/24/605552524.db2.gz MQEOFNTUDWKPPT-NSHDSACASA-N -1 3 308.447 2.955 20 0 DFADHM CCOc1cc(CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)ccc1OC ZINC000833862550 605591607 /nfs/dbraw/zinc/59/16/07/605591607.db2.gz ZIUHVRQCBPMHDT-TZMCWYRMSA-N -1 3 322.405 2.572 20 0 DFADHM O=C([O-])Nc1cccc(CN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000834269151 605603501 /nfs/dbraw/zinc/60/35/01/605603501.db2.gz QSSDCWHHNGBRSD-INIZCTEOSA-N -1 3 313.357 2.825 20 0 DFADHM O=C([O-])Nc1ccc(CN2CCC[C@@]3(CCCOC3)C2)cn1 ZINC000834260665 605611521 /nfs/dbraw/zinc/61/15/21/605611521.db2.gz WNDHZTXVPVSZOX-MRXNPFEDSA-N -1 3 305.378 2.564 20 0 DFADHM O=C([O-])NC[C@H]1CCCC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000834221836 605644557 /nfs/dbraw/zinc/64/45/57/605644557.db2.gz LQKOKYBAMBGCMU-NEPJUHHUSA-N -1 3 309.435 2.937 20 0 DFADHM O=C([O-])NC[C@@H]1CCCC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000834220379 605647371 /nfs/dbraw/zinc/64/73/71/605647371.db2.gz HNINUASGRFQWFF-XJKSGUPXSA-N -1 3 320.437 2.914 20 0 DFADHM CCOc1cc(CN2CC[C@H](NC(=O)[O-])C[C@H]2C)ccc1OC ZINC000833861006 605681157 /nfs/dbraw/zinc/68/11/57/605681157.db2.gz DPNLHJXGKHNSJY-OCCSQVGLSA-N -1 3 322.405 2.714 20 0 DFADHM C[C@H](O)[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000833527714 605698313 /nfs/dbraw/zinc/69/83/13/605698313.db2.gz LEMSASWPSUODFA-RWEMILLDSA-N -1 3 318.200 2.822 20 0 DFADHM Cc1noc(C)c1CN[C@@H](Cc1ccccc1)[C@H](C)NC(=O)[O-] ZINC000833931326 605786729 /nfs/dbraw/zinc/78/67/29/605786729.db2.gz BVYUOPRNTFLBTA-LRDDRELGSA-N -1 3 317.389 2.648 20 0 DFADHM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CCOc1ccccc1Cl ZINC000833829933 605887179 /nfs/dbraw/zinc/88/71/79/605887179.db2.gz HXHOQPAEMSYTJH-RYUDHWBXSA-N -1 3 312.797 2.697 20 0 DFADHM Cc1cc(C(=O)COc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822167760 606020128 /nfs/dbraw/zinc/02/01/28/606020128.db2.gz HZUBMHLDOFTVBT-UHFFFAOYSA-N -1 3 312.304 2.576 20 0 DFADHM Cc1cc(C(=O)COc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822167760 606020135 /nfs/dbraw/zinc/02/01/35/606020135.db2.gz HZUBMHLDOFTVBT-UHFFFAOYSA-N -1 3 312.304 2.576 20 0 DFADHM CC[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)C1CCOCC1 ZINC000820925286 606042708 /nfs/dbraw/zinc/04/27/08/606042708.db2.gz GHKQPEYYDOJYNR-CYBMUJFWSA-N -1 3 323.347 2.762 20 0 DFADHM CC[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)C1CCOCC1 ZINC000820925286 606042716 /nfs/dbraw/zinc/04/27/16/606042716.db2.gz GHKQPEYYDOJYNR-CYBMUJFWSA-N -1 3 323.347 2.762 20 0 DFADHM CN(Cc1nccs1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821617772 606044058 /nfs/dbraw/zinc/04/40/58/606044058.db2.gz BCKLBHDBQTUKGH-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CN(Cc1nccs1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821617772 606044063 /nfs/dbraw/zinc/04/40/63/606044063.db2.gz BCKLBHDBQTUKGH-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CCc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000821481700 606086814 /nfs/dbraw/zinc/08/68/14/606086814.db2.gz MGINDEUBZOKSOR-CQSZACIVSA-N -1 3 310.361 2.759 20 0 DFADHM CCc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000821481700 606086816 /nfs/dbraw/zinc/08/68/16/606086816.db2.gz MGINDEUBZOKSOR-CQSZACIVSA-N -1 3 310.361 2.759 20 0 DFADHM CCc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000821481698 606087084 /nfs/dbraw/zinc/08/70/84/606087084.db2.gz MGINDEUBZOKSOR-AWEZNQCLSA-N -1 3 310.361 2.759 20 0 DFADHM CCc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000821481698 606087089 /nfs/dbraw/zinc/08/70/89/606087089.db2.gz MGINDEUBZOKSOR-AWEZNQCLSA-N -1 3 310.361 2.759 20 0 DFADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820664782 606089580 /nfs/dbraw/zinc/08/95/80/606089580.db2.gz BXJGDEDNGIDAOD-WCQYABFASA-N -1 3 324.363 2.783 20 0 DFADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820664782 606089582 /nfs/dbraw/zinc/08/95/82/606089582.db2.gz BXJGDEDNGIDAOD-WCQYABFASA-N -1 3 324.363 2.783 20 0 DFADHM COc1cccc(F)c1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821872746 606092664 /nfs/dbraw/zinc/09/26/64/606092664.db2.gz PHDITNCYCWSKAC-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM COc1cccc(F)c1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821872746 606092666 /nfs/dbraw/zinc/09/26/66/606092666.db2.gz PHDITNCYCWSKAC-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM Cc1nc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000822439811 606101864 /nfs/dbraw/zinc/10/18/64/606101864.db2.gz DKAPYKTVJUXJTL-UHFFFAOYSA-N -1 3 314.418 2.572 20 0 DFADHM Cc1nc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000822439811 606101868 /nfs/dbraw/zinc/10/18/68/606101868.db2.gz DKAPYKTVJUXJTL-UHFFFAOYSA-N -1 3 314.418 2.572 20 0 DFADHM Cc1cnc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822389025 606104212 /nfs/dbraw/zinc/10/42/12/606104212.db2.gz JARUWYNGYYTADX-QMMMGPOBSA-N -1 3 304.354 2.944 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1C[C@@H]2CCCC[C@H]2C1 ZINC000822737426 606106533 /nfs/dbraw/zinc/10/65/33/606106533.db2.gz VAPYOIQIYXXXOR-UWVGGRQHSA-N -1 3 305.332 2.771 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1C[C@@H]2CCCC[C@H]2C1 ZINC000822737426 606106536 /nfs/dbraw/zinc/10/65/36/606106536.db2.gz VAPYOIQIYXXXOR-UWVGGRQHSA-N -1 3 305.332 2.771 20 0 DFADHM C[C@H](c1ccccn1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000820570043 606107298 /nfs/dbraw/zinc/10/72/98/606107298.db2.gz CBJLOMADNLIQRQ-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820825932 606115169 /nfs/dbraw/zinc/11/51/69/606115169.db2.gz HOCYLJZOJPPTBU-LLVKDONJSA-N -1 3 320.356 2.975 20 0 DFADHM C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820825932 606115171 /nfs/dbraw/zinc/11/51/71/606115171.db2.gz HOCYLJZOJPPTBU-LLVKDONJSA-N -1 3 320.356 2.975 20 0 DFADHM CCc1c(C)sc(NC(=O)C2(C)CCC2)c1-c1nnn[n-]1 ZINC000821465994 606126004 /nfs/dbraw/zinc/12/60/04/606126004.db2.gz TXUHRBHTFBZRHR-UHFFFAOYSA-N -1 3 305.407 2.928 20 0 DFADHM CCc1c(C)sc(NC(=O)C2(C)CCC2)c1-c1nn[n-]n1 ZINC000821465994 606126005 /nfs/dbraw/zinc/12/60/05/606126005.db2.gz TXUHRBHTFBZRHR-UHFFFAOYSA-N -1 3 305.407 2.928 20 0 DFADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)c1nc2ccccc2o1 ZINC000820275793 606138300 /nfs/dbraw/zinc/13/83/00/606138300.db2.gz RVHLRRLVSIVQSM-JTQLQIEISA-N -1 3 321.344 2.619 20 0 DFADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)c1nc2ccccc2o1 ZINC000820275793 606138302 /nfs/dbraw/zinc/13/83/02/606138302.db2.gz RVHLRRLVSIVQSM-JTQLQIEISA-N -1 3 321.344 2.619 20 0 DFADHM CO[C@@H](C)c1nc(COc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821675406 606171062 /nfs/dbraw/zinc/17/10/62/606171062.db2.gz KSCWMZLMCPXVAP-VIFPVBQESA-N -1 3 317.374 2.610 20 0 DFADHM Fc1cc(Cl)cnc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822748073 606183151 /nfs/dbraw/zinc/18/31/51/606183151.db2.gz GFRHIUSWICGXKS-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1cc(Cl)cnc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822748073 606183153 /nfs/dbraw/zinc/18/31/53/606183153.db2.gz GFRHIUSWICGXKS-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM CC(C)=C(C)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000820004993 606192152 /nfs/dbraw/zinc/19/21/52/606192152.db2.gz HTOVMRUEQABSEQ-UHFFFAOYSA-N -1 3 311.345 2.519 20 0 DFADHM CC(C)=C(C)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820004993 606192154 /nfs/dbraw/zinc/19/21/54/606192154.db2.gz HTOVMRUEQABSEQ-UHFFFAOYSA-N -1 3 311.345 2.519 20 0 DFADHM Cc1nc(Cl)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822449523 606196936 /nfs/dbraw/zinc/19/69/36/606196936.db2.gz CIAYOSNWVFLRIA-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1nc(Cl)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822449523 606196937 /nfs/dbraw/zinc/19/69/37/606196937.db2.gz CIAYOSNWVFLRIA-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c(-c2nnn[n-]2)c1C ZINC000822557054 606209209 /nfs/dbraw/zinc/20/92/09/606209209.db2.gz GFDZQPXBRRABSN-NXEZZACHSA-N -1 3 303.391 2.530 20 0 DFADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c(-c2nn[n-]n2)c1C ZINC000822557054 606209210 /nfs/dbraw/zinc/20/92/10/606209210.db2.gz GFDZQPXBRRABSN-NXEZZACHSA-N -1 3 303.391 2.530 20 0 DFADHM Cc1csc([C@H](C)NCc2cc(-c3nnn[n-]3)cs2)n1 ZINC000822408960 606215920 /nfs/dbraw/zinc/21/59/20/606215920.db2.gz KECNOUFEDPWLJW-QMMMGPOBSA-N -1 3 306.420 2.544 20 0 DFADHM Cc1csc([C@H](C)NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC000822408960 606215922 /nfs/dbraw/zinc/21/59/22/606215922.db2.gz KECNOUFEDPWLJW-QMMMGPOBSA-N -1 3 306.420 2.544 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823332750 606217589 /nfs/dbraw/zinc/21/75/89/606217589.db2.gz QOCSNAPJHXSDOR-ZJUUUORDSA-N -1 3 303.753 2.505 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823332750 606217591 /nfs/dbraw/zinc/21/75/91/606217591.db2.gz QOCSNAPJHXSDOR-ZJUUUORDSA-N -1 3 303.753 2.505 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(Cl)cn1 ZINC000822744384 606223427 /nfs/dbraw/zinc/22/34/27/606223427.db2.gz RGGPKJRGLDZUPT-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(Cl)cn1 ZINC000822744384 606223428 /nfs/dbraw/zinc/22/34/28/606223428.db2.gz RGGPKJRGLDZUPT-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM CC(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)c1cccnc1 ZINC000820020822 606229234 /nfs/dbraw/zinc/22/92/34/606229234.db2.gz KNROSYMRJMVLSA-CQSZACIVSA-N -1 3 309.377 2.508 20 0 DFADHM CC(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)c1cccnc1 ZINC000820020822 606229235 /nfs/dbraw/zinc/22/92/35/606229235.db2.gz KNROSYMRJMVLSA-CQSZACIVSA-N -1 3 309.377 2.508 20 0 DFADHM C[C@@]1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCCC[C@@H]1O ZINC000820623813 606243190 /nfs/dbraw/zinc/24/31/90/606243190.db2.gz ZIMWCARMIYDIDK-ZFWWWQNUSA-N -1 3 321.812 2.873 20 0 DFADHM C[C@@]1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000820623813 606243192 /nfs/dbraw/zinc/24/31/92/606243192.db2.gz ZIMWCARMIYDIDK-ZFWWWQNUSA-N -1 3 321.812 2.873 20 0 DFADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819906091 606253823 /nfs/dbraw/zinc/25/38/23/606253823.db2.gz CKVGKLMBUUXXAS-VXGBXAGGSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819906091 606253821 /nfs/dbraw/zinc/25/38/21/606253821.db2.gz CKVGKLMBUUXXAS-VXGBXAGGSA-N -1 3 316.409 2.530 20 0 DFADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822230269 606254852 /nfs/dbraw/zinc/25/48/52/606254852.db2.gz ASATUSDZZKDJRS-LBPRGKRZSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822230269 606254853 /nfs/dbraw/zinc/25/48/53/606254853.db2.gz ASATUSDZZKDJRS-LBPRGKRZSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1ccc(C)c(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822230537 606264977 /nfs/dbraw/zinc/26/49/77/606264977.db2.gz JKVWGHRUKBFVSS-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(C)c(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822230537 606264979 /nfs/dbraw/zinc/26/49/79/606264979.db2.gz JKVWGHRUKBFVSS-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1F ZINC000822176571 606270653 /nfs/dbraw/zinc/27/06/53/606270653.db2.gz KZMFLAOYCBDYTQ-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1F ZINC000822176571 606270655 /nfs/dbraw/zinc/27/06/55/606270655.db2.gz KZMFLAOYCBDYTQ-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000823345983 606271072 /nfs/dbraw/zinc/27/10/72/606271072.db2.gz FKOCIFMXQLJOEI-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000823345983 606271074 /nfs/dbraw/zinc/27/10/74/606271074.db2.gz FKOCIFMXQLJOEI-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM CC(C)(C)C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000819891576 606312454 /nfs/dbraw/zinc/31/24/54/606312454.db2.gz BFZMFKHZRYPWNB-UHFFFAOYSA-N -1 3 308.382 2.854 20 0 DFADHM CC(C)(C)C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000819891576 606312456 /nfs/dbraw/zinc/31/24/56/606312456.db2.gz BFZMFKHZRYPWNB-UHFFFAOYSA-N -1 3 308.382 2.854 20 0 DFADHM CC[C@](C)(NCc1ccc(F)cc1-c1nnn[n-]1)C(F)(F)F ZINC000820854472 606330245 /nfs/dbraw/zinc/33/02/45/606330245.db2.gz VLWDVQNXGZIRMV-LBPRGKRZSA-N -1 3 317.290 2.826 20 0 DFADHM CC[C@](C)(NCc1ccc(F)cc1-c1nn[n-]n1)C(F)(F)F ZINC000820854472 606330246 /nfs/dbraw/zinc/33/02/46/606330246.db2.gz VLWDVQNXGZIRMV-LBPRGKRZSA-N -1 3 317.290 2.826 20 0 DFADHM CC[C@@H](C)CN(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820869926 606333870 /nfs/dbraw/zinc/33/38/70/606333870.db2.gz KDVOLAHMBXMOFE-LLVKDONJSA-N -1 3 302.382 2.767 20 0 DFADHM CC[C@@H](C)CN(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820869926 606333871 /nfs/dbraw/zinc/33/38/71/606333871.db2.gz KDVOLAHMBXMOFE-LLVKDONJSA-N -1 3 302.382 2.767 20 0 DFADHM C[C@@H](OC(=O)Cc1ccsc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502204 606343892 /nfs/dbraw/zinc/34/38/92/606343892.db2.gz OEYBEILCURBJEJ-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM C[C@@H](OC(=O)Cc1ccsc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502204 606343894 /nfs/dbraw/zinc/34/38/94/606343894.db2.gz OEYBEILCURBJEJ-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM C[C@@H](OC(=O)[C@H]1Cc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487488 606354115 /nfs/dbraw/zinc/35/41/15/606354115.db2.gz HIGFCSBWVJUVIV-BZNIZROVSA-N -1 3 320.352 2.811 20 0 DFADHM C[C@@H](OC(=O)[C@H]1Cc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487488 606354116 /nfs/dbraw/zinc/35/41/16/606354116.db2.gz HIGFCSBWVJUVIV-BZNIZROVSA-N -1 3 320.352 2.811 20 0 DFADHM CCN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)C(C)C ZINC000821155083 606355831 /nfs/dbraw/zinc/35/58/31/606355831.db2.gz VVRYYFUUXHMZKF-SNVBAGLBSA-N -1 3 320.372 2.904 20 0 DFADHM CCN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@H](C)C(C)C ZINC000821155083 606355833 /nfs/dbraw/zinc/35/58/33/606355833.db2.gz VVRYYFUUXHMZKF-SNVBAGLBSA-N -1 3 320.372 2.904 20 0 DFADHM CS/C=C\C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821956530 606361186 /nfs/dbraw/zinc/36/11/86/606361186.db2.gz QTKZSYVOQRBYBM-HJWRWDBZSA-N -1 3 317.418 2.732 20 0 DFADHM CS/C=C\C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821956530 606361188 /nfs/dbraw/zinc/36/11/88/606361188.db2.gz QTKZSYVOQRBYBM-HJWRWDBZSA-N -1 3 317.418 2.732 20 0 DFADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820649747 606364242 /nfs/dbraw/zinc/36/42/42/606364242.db2.gz OGVXNYFOCGFNAN-BXUZGUMPSA-N -1 3 313.405 2.811 20 0 DFADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820649747 606364243 /nfs/dbraw/zinc/36/42/43/606364243.db2.gz OGVXNYFOCGFNAN-BXUZGUMPSA-N -1 3 313.405 2.811 20 0 DFADHM Fc1cccc2c1CCCN2Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822791504 606376710 /nfs/dbraw/zinc/37/67/10/606376710.db2.gz ITZDYRDMBFGJRV-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM Fc1cccc2c1CCCN2Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822791504 606376712 /nfs/dbraw/zinc/37/67/12/606376712.db2.gz ITZDYRDMBFGJRV-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM CCS[C@H]1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC000821453875 606400284 /nfs/dbraw/zinc/40/02/84/606400284.db2.gz BPPNXJZFJSYAOC-QWRGUYRKSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@H]1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC000821453875 606400285 /nfs/dbraw/zinc/40/02/85/606400285.db2.gz BPPNXJZFJSYAOC-QWRGUYRKSA-N -1 3 304.423 2.738 20 0 DFADHM Cc1cccc2ncnc(NCc3cccc(-c4nnn[n-]4)c3)c12 ZINC000822340699 606399790 /nfs/dbraw/zinc/39/97/90/606399790.db2.gz CSPZYLYDSVJIQS-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cccc2ncnc(NCc3cccc(-c4nn[n-]n4)c3)c12 ZINC000822340699 606399791 /nfs/dbraw/zinc/39/97/91/606399791.db2.gz CSPZYLYDSVJIQS-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM CCCCO[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1(C)C ZINC000821071491 606402732 /nfs/dbraw/zinc/40/27/32/606402732.db2.gz GDGBDUFJCKOMSF-STQMWFEESA-N -1 3 316.409 2.657 20 0 DFADHM CCCCO[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1(C)C ZINC000821071491 606402734 /nfs/dbraw/zinc/40/27/34/606402734.db2.gz GDGBDUFJCKOMSF-STQMWFEESA-N -1 3 316.409 2.657 20 0 DFADHM CN(C(=O)c1cccs1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574599 606412603 /nfs/dbraw/zinc/41/26/03/606412603.db2.gz NSECGMJVHJNWAJ-UHFFFAOYSA-N -1 3 319.777 2.858 20 0 DFADHM CN(C(=O)c1cccs1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574599 606412605 /nfs/dbraw/zinc/41/26/05/606412605.db2.gz NSECGMJVHJNWAJ-UHFFFAOYSA-N -1 3 319.777 2.858 20 0 DFADHM CC(C)[C@@H]1OCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000820046783 606426942 /nfs/dbraw/zinc/42/69/42/606426942.db2.gz UEDZLYVMDBQVBB-WFASDCNBSA-N -1 3 319.384 2.869 20 0 DFADHM CC1(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCC1 ZINC000820623416 606428698 /nfs/dbraw/zinc/42/86/98/606428698.db2.gz PJHVOXBVSBSHAC-UHFFFAOYSA-N -1 3 312.299 2.883 20 0 DFADHM CC1(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCC1 ZINC000820623416 606428700 /nfs/dbraw/zinc/42/87/00/606428700.db2.gz PJHVOXBVSBSHAC-UHFFFAOYSA-N -1 3 312.299 2.883 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccnc(C(C)(C)C)n1 ZINC000821613179 606450186 /nfs/dbraw/zinc/45/01/86/606450186.db2.gz AOKSTWHBJPERCZ-UHFFFAOYSA-N -1 3 323.404 2.591 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccnc(C(C)(C)C)n1 ZINC000821613179 606450189 /nfs/dbraw/zinc/45/01/89/606450189.db2.gz AOKSTWHBJPERCZ-UHFFFAOYSA-N -1 3 323.404 2.591 20 0 DFADHM Fc1ccc(N2CCC[C@@H]2c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000822779615 606459410 /nfs/dbraw/zinc/45/94/10/606459410.db2.gz YRQCRRPGXPUUQY-OAHLLOKOSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1ccc(N2CCC[C@@H]2c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000822779615 606459411 /nfs/dbraw/zinc/45/94/11/606459411.db2.gz YRQCRRPGXPUUQY-OAHLLOKOSA-N -1 3 310.336 2.742 20 0 DFADHM CCOc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821426675 606461138 /nfs/dbraw/zinc/46/11/38/606461138.db2.gz FQPYAAQANOVUMD-UHFFFAOYSA-N -1 3 316.342 2.546 20 0 DFADHM CCOc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821426675 606461139 /nfs/dbraw/zinc/46/11/39/606461139.db2.gz FQPYAAQANOVUMD-UHFFFAOYSA-N -1 3 316.342 2.546 20 0 DFADHM CCC1(CNC(=S)Nc2ccccc2-c2nnn[n-]2)CCC1 ZINC000820961821 606471958 /nfs/dbraw/zinc/47/19/58/606471958.db2.gz CMVVBDUGAZMHEL-UHFFFAOYSA-N -1 3 316.434 2.733 20 0 DFADHM CCC1(CNC(=S)Nc2ccccc2-c2nn[n-]n2)CCC1 ZINC000820961821 606471960 /nfs/dbraw/zinc/47/19/60/606471960.db2.gz CMVVBDUGAZMHEL-UHFFFAOYSA-N -1 3 316.434 2.733 20 0 DFADHM O=C(NCc1cccc(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823257206 606477684 /nfs/dbraw/zinc/47/76/84/606477684.db2.gz DORBSYDOYAJNNA-UHFFFAOYSA-N -1 3 319.777 2.512 20 0 DFADHM O=C(NCc1cccc(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823257206 606477686 /nfs/dbraw/zinc/47/76/86/606477686.db2.gz DORBSYDOYAJNNA-UHFFFAOYSA-N -1 3 319.777 2.512 20 0 DFADHM Cc1ccc(C)c(N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822232070 606495980 /nfs/dbraw/zinc/49/59/80/606495980.db2.gz SFWLBRACYYXHFD-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM Cc1ccc(C)c(N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822232070 606495978 /nfs/dbraw/zinc/49/59/78/606495978.db2.gz SFWLBRACYYXHFD-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM O=C(Nc1cccc2[nH]ccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823367575 606503120 /nfs/dbraw/zinc/50/31/20/606503120.db2.gz LIMDDFARWJZXDJ-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(Nc1cccc2[nH]ccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823367575 606503121 /nfs/dbraw/zinc/50/31/21/606503121.db2.gz LIMDDFARWJZXDJ-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H]1CCCC[C@H]1C ZINC000821154426 606505640 /nfs/dbraw/zinc/50/56/40/606505640.db2.gz NLZGEKNIRMBPKC-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H]1CCCC[C@H]1C ZINC000821154426 606505642 /nfs/dbraw/zinc/50/56/42/606505642.db2.gz NLZGEKNIRMBPKC-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820039483 606512045 /nfs/dbraw/zinc/51/20/45/606512045.db2.gz XOUCHLBIYPFMNZ-LLVKDONJSA-N -1 3 319.434 2.827 20 0 DFADHM CC(C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820039483 606512047 /nfs/dbraw/zinc/51/20/47/606512047.db2.gz XOUCHLBIYPFMNZ-LLVKDONJSA-N -1 3 319.434 2.827 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)C1CCCC1 ZINC000821756775 606541051 /nfs/dbraw/zinc/54/10/51/606541051.db2.gz RVOAUSFUWXHJJU-JTQLQIEISA-N -1 3 315.377 2.640 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)C1CCCC1 ZINC000821756775 606541053 /nfs/dbraw/zinc/54/10/53/606541053.db2.gz RVOAUSFUWXHJJU-JTQLQIEISA-N -1 3 315.377 2.640 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H]1C ZINC000820743025 606570008 /nfs/dbraw/zinc/57/00/08/606570008.db2.gz PKMKGLBXZCUWNB-DTORHVGOSA-N -1 3 320.784 2.640 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H]1C ZINC000820743025 606570011 /nfs/dbraw/zinc/57/00/11/606570011.db2.gz PKMKGLBXZCUWNB-DTORHVGOSA-N -1 3 320.784 2.640 20 0 DFADHM CCC1(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820965947 606573158 /nfs/dbraw/zinc/57/31/58/606573158.db2.gz AXRVNHUSTMDLGQ-NSHDSACASA-N -1 3 314.393 2.560 20 0 DFADHM CCC1(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820965947 606573159 /nfs/dbraw/zinc/57/31/59/606573159.db2.gz AXRVNHUSTMDLGQ-NSHDSACASA-N -1 3 314.393 2.560 20 0 DFADHM Cc1sc(NC(=O)C2CC(F)(F)C2)c(-c2nnn[n-]2)c1C ZINC000822559200 606621352 /nfs/dbraw/zinc/62/13/52/606621352.db2.gz XZEDELMXJPCORK-UHFFFAOYSA-N -1 3 313.333 2.529 20 0 DFADHM Cc1sc(NC(=O)C2CC(F)(F)C2)c(-c2nn[n-]n2)c1C ZINC000822559200 606621354 /nfs/dbraw/zinc/62/13/54/606621354.db2.gz XZEDELMXJPCORK-UHFFFAOYSA-N -1 3 313.333 2.529 20 0 DFADHM C[C@@H](OC(=O)C1CC(F)(F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487300 606621883 /nfs/dbraw/zinc/62/18/83/606621883.db2.gz GIJWCJSZUKBJQL-MRVPVSSYSA-N -1 3 308.288 2.516 20 0 DFADHM C[C@@H](OC(=O)C1CC(F)(F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487300 606621884 /nfs/dbraw/zinc/62/18/84/606621884.db2.gz GIJWCJSZUKBJQL-MRVPVSSYSA-N -1 3 308.288 2.516 20 0 DFADHM CCCC[C@H](CCC)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821040493 606625553 /nfs/dbraw/zinc/62/55/53/606625553.db2.gz MHZOBXSIUUXUGO-NSHDSACASA-N -1 3 304.398 2.531 20 0 DFADHM CCCC[C@H](CCC)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821040493 606625554 /nfs/dbraw/zinc/62/55/54/606625554.db2.gz MHZOBXSIUUXUGO-NSHDSACASA-N -1 3 304.398 2.531 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823308908 606632419 /nfs/dbraw/zinc/63/24/19/606632419.db2.gz MFERMXDXAOGCLS-STQMWFEESA-N -1 3 312.377 2.521 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823308908 606632421 /nfs/dbraw/zinc/63/24/21/606632421.db2.gz MFERMXDXAOGCLS-STQMWFEESA-N -1 3 312.377 2.521 20 0 DFADHM O=C(OCSc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823413529 606638257 /nfs/dbraw/zinc/63/82/57/606638257.db2.gz JBLCPKQETYWEFD-UHFFFAOYSA-N -1 3 312.354 2.773 20 0 DFADHM O=C(OCSc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823413529 606638256 /nfs/dbraw/zinc/63/82/56/606638256.db2.gz JBLCPKQETYWEFD-UHFFFAOYSA-N -1 3 312.354 2.773 20 0 DFADHM CCc1nc(CNc2cc(-c3nnn[n-]3)ccc2OC)cs1 ZINC000821509133 606656603 /nfs/dbraw/zinc/65/66/03/606656603.db2.gz DABQNYVMZUJZPQ-UHFFFAOYSA-N -1 3 316.390 2.506 20 0 DFADHM CCc1nc(CNc2cc(-c3nn[n-]n3)ccc2OC)cs1 ZINC000821509133 606656604 /nfs/dbraw/zinc/65/66/04/606656604.db2.gz DABQNYVMZUJZPQ-UHFFFAOYSA-N -1 3 316.390 2.506 20 0 DFADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCCCc2ccccc21 ZINC000823466262 606657094 /nfs/dbraw/zinc/65/70/94/606657094.db2.gz IMEAYFHSELTUEK-UHFFFAOYSA-N -1 3 322.372 2.568 20 0 DFADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCCCc2ccccc21 ZINC000823466262 606657095 /nfs/dbraw/zinc/65/70/95/606657095.db2.gz IMEAYFHSELTUEK-UHFFFAOYSA-N -1 3 322.372 2.568 20 0 DFADHM O=C(Nc1cccc(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823364007 606661936 /nfs/dbraw/zinc/66/19/36/606661936.db2.gz WDZCSEMAHMGJDZ-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1cccc(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823364007 606661937 /nfs/dbraw/zinc/66/19/37/606661937.db2.gz WDZCSEMAHMGJDZ-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM C[C@H](N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000820308415 606669303 /nfs/dbraw/zinc/66/93/03/606669303.db2.gz ULPJNRNSWOGWEJ-QMMMGPOBSA-N -1 3 323.347 2.652 20 0 DFADHM C[C@H](N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000820308415 606669304 /nfs/dbraw/zinc/66/93/04/606669304.db2.gz ULPJNRNSWOGWEJ-QMMMGPOBSA-N -1 3 323.347 2.652 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820870553 606682545 /nfs/dbraw/zinc/68/25/45/606682545.db2.gz VCZLIYUNYUKXHH-BDAKNGLRSA-N -1 3 323.347 2.699 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820870553 606682546 /nfs/dbraw/zinc/68/25/46/606682546.db2.gz VCZLIYUNYUKXHH-BDAKNGLRSA-N -1 3 323.347 2.699 20 0 DFADHM Fc1cccc(NCCc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC000822791306 606721782 /nfs/dbraw/zinc/72/17/82/606721782.db2.gz HBQFSMXGMYTAOK-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM Fc1cccc(NCCc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC000822791306 606721785 /nfs/dbraw/zinc/72/17/85/606721785.db2.gz HBQFSMXGMYTAOK-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM Clc1ccc(N[C@@H]2CCC[C@H]3OCC[C@H]32)c(-c2nnn[n-]2)c1 ZINC000822578635 606729301 /nfs/dbraw/zinc/72/93/01/606729301.db2.gz MGLRLUBEZWYCGF-ZKYQVNSYSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1ccc(N[C@@H]2CCC[C@H]3OCC[C@H]32)c(-c2nn[n-]n2)c1 ZINC000822578635 606729303 /nfs/dbraw/zinc/72/93/03/606729303.db2.gz MGLRLUBEZWYCGF-ZKYQVNSYSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000822582041 606729341 /nfs/dbraw/zinc/72/93/41/606729341.db2.gz OVMIZRDWHGTMFH-WQAKAFBOSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000822582041 606729344 /nfs/dbraw/zinc/72/93/44/606729344.db2.gz OVMIZRDWHGTMFH-WQAKAFBOSA-N -1 3 319.796 2.890 20 0 DFADHM CC(C)CC1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000820068892 606753273 /nfs/dbraw/zinc/75/32/73/606753273.db2.gz WBNUKSLOCSMQMJ-UHFFFAOYSA-N -1 3 319.434 2.827 20 0 DFADHM CC(C)CC1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000820068892 606753274 /nfs/dbraw/zinc/75/32/74/606753274.db2.gz WBNUKSLOCSMQMJ-UHFFFAOYSA-N -1 3 319.434 2.827 20 0 DFADHM CC[C@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820981271 606766626 /nfs/dbraw/zinc/76/66/26/606766626.db2.gz QJMVADJFBGNATP-GXFFZTMASA-N -1 3 300.366 2.567 20 0 DFADHM CC[C@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820981271 606766627 /nfs/dbraw/zinc/76/66/27/606766627.db2.gz QJMVADJFBGNATP-GXFFZTMASA-N -1 3 300.366 2.567 20 0 DFADHM CC(C)c1noc(COc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000820211636 606780225 /nfs/dbraw/zinc/78/02/25/606780225.db2.gz UARAKUVAGVSSBU-UHFFFAOYSA-N -1 3 320.740 2.606 20 0 DFADHM CC(C)c1noc(COc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000820211636 606780226 /nfs/dbraw/zinc/78/02/26/606780226.db2.gz UARAKUVAGVSSBU-UHFFFAOYSA-N -1 3 320.740 2.606 20 0 DFADHM CC[C@@H](C)CSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820869322 606796062 /nfs/dbraw/zinc/79/60/62/606796062.db2.gz GOFXBFYOEFKVSQ-SNVBAGLBSA-N -1 3 305.407 2.585 20 0 DFADHM CC[C@@H](C)CSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820869322 606796064 /nfs/dbraw/zinc/79/60/64/606796064.db2.gz GOFXBFYOEFKVSQ-SNVBAGLBSA-N -1 3 305.407 2.585 20 0 DFADHM CCC(CC)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820897435 606800912 /nfs/dbraw/zinc/80/09/12/606800912.db2.gz FHLLLIBUIGATJD-UHFFFAOYSA-N -1 3 320.418 2.832 20 0 DFADHM CCC(CC)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820897435 606800914 /nfs/dbraw/zinc/80/09/14/606800914.db2.gz FHLLLIBUIGATJD-UHFFFAOYSA-N -1 3 320.418 2.832 20 0 DFADHM C[C@H](SCCn1cccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550128 606847295 /nfs/dbraw/zinc/84/72/95/606847295.db2.gz UPPSIQAEUQLSPX-NSHDSACASA-N -1 3 300.391 2.558 20 0 DFADHM C[C@H](SCCn1cccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550128 606847297 /nfs/dbraw/zinc/84/72/97/606847297.db2.gz UPPSIQAEUQLSPX-NSHDSACASA-N -1 3 300.391 2.558 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC/C(Cl)=C/Cl ZINC000821413258 606863718 /nfs/dbraw/zinc/86/37/18/606863718.db2.gz YMUXQXBEJVUQJI-TWGQIWQCSA-N -1 3 314.176 2.996 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC/C(Cl)=C/Cl ZINC000821413258 606863716 /nfs/dbraw/zinc/86/37/16/606863716.db2.gz YMUXQXBEJVUQJI-TWGQIWQCSA-N -1 3 314.176 2.996 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC/C(Cl)=C\Cl ZINC000821413256 606863783 /nfs/dbraw/zinc/86/37/83/606863783.db2.gz YMUXQXBEJVUQJI-RMKNXTFCSA-N -1 3 314.176 2.996 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC/C(Cl)=C\Cl ZINC000821413256 606863785 /nfs/dbraw/zinc/86/37/85/606863785.db2.gz YMUXQXBEJVUQJI-RMKNXTFCSA-N -1 3 314.176 2.996 20 0 DFADHM C[C@@H]1CC[C@H](C)N1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820684517 606879344 /nfs/dbraw/zinc/87/93/44/606879344.db2.gz QUOOYOXIOXAOKL-OCAPTIKFSA-N -1 3 312.299 2.658 20 0 DFADHM C[C@@H]1CC[C@H](C)N1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820684517 606879345 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/nfs/dbraw/zinc/24/84/42/607248442.db2.gz PJSIYEMTYAUDTQ-CYBMUJFWSA-N -1 3 324.315 2.641 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCc2ccccc21 ZINC000823450362 607248443 /nfs/dbraw/zinc/24/84/43/607248443.db2.gz PJSIYEMTYAUDTQ-CYBMUJFWSA-N -1 3 324.315 2.641 20 0 DFADHM Cc1cscc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822414520 607250342 /nfs/dbraw/zinc/25/03/42/607250342.db2.gz JAFWCSWNIGXWTL-UHFFFAOYSA-N -1 3 304.306 2.595 20 0 DFADHM Cc1cscc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822414520 607250343 /nfs/dbraw/zinc/25/03/43/607250343.db2.gz JAFWCSWNIGXWTL-UHFFFAOYSA-N -1 3 304.306 2.595 20 0 DFADHM Cc1cc(F)ccc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826267950 607791021 /nfs/dbraw/zinc/79/10/21/607791021.db2.gz DGOKIODXUYKGMI-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cc(F)ccc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826267950 607791022 /nfs/dbraw/zinc/79/10/22/607791022.db2.gz DGOKIODXUYKGMI-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CCN(C(=O)[C@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366823 607796252 /nfs/dbraw/zinc/79/62/52/607796252.db2.gz GFNAJKXVVIPODO-CQSZACIVSA-N -1 3 311.389 2.800 20 0 DFADHM CCN(C(=O)[C@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366823 607796253 /nfs/dbraw/zinc/79/62/53/607796253.db2.gz GFNAJKXVVIPODO-CQSZACIVSA-N -1 3 311.389 2.800 20 0 DFADHM CCN(C(=O)C[C@H](C)n1cccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367371 607797247 /nfs/dbraw/zinc/79/72/47/607797247.db2.gz OIBISHSJMQYHCS-ZDUSSCGKSA-N -1 3 324.388 2.672 20 0 DFADHM CCN(C(=O)C[C@H](C)n1cccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367371 607797248 /nfs/dbraw/zinc/79/72/48/607797248.db2.gz OIBISHSJMQYHCS-ZDUSSCGKSA-N -1 3 324.388 2.672 20 0 DFADHM CCN(C(=O)c1cc(C)c(C)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380948 607799155 /nfs/dbraw/zinc/79/91/55/607799155.db2.gz XNMKVVKVMXHCAF-UHFFFAOYSA-N -1 3 311.345 2.743 20 0 DFADHM CCN(C(=O)c1cc(C)c(C)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380948 607799156 /nfs/dbraw/zinc/79/91/56/607799156.db2.gz XNMKVVKVMXHCAF-UHFFFAOYSA-N -1 3 311.345 2.743 20 0 DFADHM CC(C)C1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000824224616 607803774 /nfs/dbraw/zinc/80/37/74/607803774.db2.gz OZUHZGARUJRGRC-UHFFFAOYSA-N -1 3 320.784 2.640 20 0 DFADHM CC(C)C1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000824224616 607803775 /nfs/dbraw/zinc/80/37/75/607803775.db2.gz OZUHZGARUJRGRC-UHFFFAOYSA-N -1 3 320.784 2.640 20 0 DFADHM CCN(CCc1nccs1)c1cccc(F)c1-c1nnn[n-]1 ZINC000825428133 607820570 /nfs/dbraw/zinc/82/05/70/607820570.db2.gz CMNLPYPIDCORJN-UHFFFAOYSA-N -1 3 318.381 2.531 20 0 DFADHM CCN(CCc1nccs1)c1cccc(F)c1-c1nn[n-]n1 ZINC000825428133 607820571 /nfs/dbraw/zinc/82/05/71/607820571.db2.gz CMNLPYPIDCORJN-UHFFFAOYSA-N -1 3 318.381 2.531 20 0 DFADHM C[C@@H]1C[C@H](C)CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000824875325 607837777 /nfs/dbraw/zinc/83/77/77/607837777.db2.gz LMIVZRJGIAQQHG-TXEJJXNPSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1C[C@H](C)CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000824875325 607837778 /nfs/dbraw/zinc/83/77/78/607837778.db2.gz LMIVZRJGIAQQHG-TXEJJXNPSA-N -1 3 308.389 2.897 20 0 DFADHM Cc1cc(F)ccc1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826268866 607848926 /nfs/dbraw/zinc/84/89/26/607848926.db2.gz QJXMYWASFRJBMO-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1cc(C)cc([C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264114 607869404 /nfs/dbraw/zinc/86/94/04/607869404.db2.gz CHBHNOKPNYMPPB-MRXNPFEDSA-N -1 3 310.357 2.596 20 0 DFADHM CCc1ccccc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825728654 607869478 /nfs/dbraw/zinc/86/94/78/607869478.db2.gz USIFWVCMRSHTKL-OAHLLOKOSA-N -1 3 310.357 2.542 20 0 DFADHM CCc1ccccc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825728654 607869479 /nfs/dbraw/zinc/86/94/79/607869479.db2.gz USIFWVCMRSHTKL-OAHLLOKOSA-N -1 3 310.357 2.542 20 0 DFADHM Cc1cc(C)cc([C@H](O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826264171 607871138 /nfs/dbraw/zinc/87/11/38/607871138.db2.gz DZFNHZDOVUQCLE-MRXNPFEDSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cc(C)cc([C@H](O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826264171 607871139 /nfs/dbraw/zinc/87/11/39/607871139.db2.gz DZFNHZDOVUQCLE-MRXNPFEDSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccnc(CSCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000826308727 607880816 /nfs/dbraw/zinc/88/08/16/607880816.db2.gz MKLBQBJDRSMRIU-UHFFFAOYSA-N -1 3 316.365 2.538 20 0 DFADHM Cc1ccnc(CSCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000826308727 607880817 /nfs/dbraw/zinc/88/08/17/607880817.db2.gz MKLBQBJDRSMRIU-UHFFFAOYSA-N -1 3 316.365 2.538 20 0 DFADHM CCCCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000825296602 607926419 /nfs/dbraw/zinc/92/64/19/607926419.db2.gz QAXWSFJCSVOBHB-UHFFFAOYSA-N -1 3 323.356 2.824 20 0 DFADHM CCCCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000825296602 607926420 /nfs/dbraw/zinc/92/64/20/607926420.db2.gz QAXWSFJCSVOBHB-UHFFFAOYSA-N -1 3 323.356 2.824 20 0 DFADHM CC1(C)CCC[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000824802415 607926586 /nfs/dbraw/zinc/92/65/86/607926586.db2.gz MNDHFJVAFIBGNA-NSHDSACASA-N -1 3 314.393 2.807 20 0 DFADHM CC1(C)CCC[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000824802415 607926587 /nfs/dbraw/zinc/92/65/87/607926587.db2.gz MNDHFJVAFIBGNA-NSHDSACASA-N -1 3 314.393 2.807 20 0 DFADHM c1ccc2nc(N3CCc4ccc(-c5nnn[n-]5)cc43)cnc2c1 ZINC000826524451 607936161 /nfs/dbraw/zinc/93/61/61/607936161.db2.gz WBVZKCILVFCCPG-UHFFFAOYSA-N -1 3 315.340 2.504 20 0 DFADHM c1ccc2nc(N3CCc4ccc(-c5nn[n-]n5)cc43)cnc2c1 ZINC000826524451 607936162 /nfs/dbraw/zinc/93/61/62/607936162.db2.gz WBVZKCILVFCCPG-UHFFFAOYSA-N -1 3 315.340 2.504 20 0 DFADHM CCCC(CCC)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825241905 607948835 /nfs/dbraw/zinc/94/88/35/607948835.db2.gz CZHBAUMSESYRJZ-UHFFFAOYSA-N -1 3 313.405 2.972 20 0 DFADHM CCCC(CCC)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825241905 607948836 /nfs/dbraw/zinc/94/88/36/607948836.db2.gz CZHBAUMSESYRJZ-UHFFFAOYSA-N -1 3 313.405 2.972 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824906180 607955807 /nfs/dbraw/zinc/95/58/07/607955807.db2.gz AXCGSJIBTCBPOQ-VXGBXAGGSA-N -1 3 311.389 2.582 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824906180 607955808 /nfs/dbraw/zinc/95/58/08/607955808.db2.gz AXCGSJIBTCBPOQ-VXGBXAGGSA-N -1 3 311.389 2.582 20 0 DFADHM Fc1cccc(N[C@@H](c2cccnc2)C2CC2)c1-c1nnn[n-]1 ZINC000826377397 607969196 /nfs/dbraw/zinc/96/91/96/607969196.db2.gz QAGWYRDQYDSKBK-OAHLLOKOSA-N -1 3 310.336 2.964 20 0 DFADHM Fc1cccc(N[C@@H](c2cccnc2)C2CC2)c1-c1nn[n-]n1 ZINC000826377397 607969197 /nfs/dbraw/zinc/96/91/97/607969197.db2.gz QAGWYRDQYDSKBK-OAHLLOKOSA-N -1 3 310.336 2.964 20 0 DFADHM O=C(OCc1ccccc1-c1nnn[n-]1)C1CCC(F)(F)CC1 ZINC000826466399 607976887 /nfs/dbraw/zinc/97/68/87/607976887.db2.gz ARGIOKXCBDHFEH-UHFFFAOYSA-N -1 3 322.315 2.735 20 0 DFADHM O=C(OCc1ccccc1-c1nn[n-]n1)C1CCC(F)(F)CC1 ZINC000826466399 607976888 /nfs/dbraw/zinc/97/68/88/607976888.db2.gz ARGIOKXCBDHFEH-UHFFFAOYSA-N -1 3 322.315 2.735 20 0 DFADHM Cc1ncsc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826331739 607990565 /nfs/dbraw/zinc/99/05/65/607990565.db2.gz WGTUNWXZWWBRBW-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM Cc1ncsc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826331739 607990566 /nfs/dbraw/zinc/99/05/66/607990566.db2.gz WGTUNWXZWWBRBW-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM Cc1ccc(O)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826291346 607996203 /nfs/dbraw/zinc/99/62/03/607996203.db2.gz AWCMIVHCVXUERB-VQHVLOKHSA-N -1 3 321.340 2.533 20 0 DFADHM Cc1ccc(O)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826291346 607996204 /nfs/dbraw/zinc/99/62/04/607996204.db2.gz AWCMIVHCVXUERB-VQHVLOKHSA-N -1 3 321.340 2.533 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)C1CCC(F)(F)CC1 ZINC000826456995 608000411 /nfs/dbraw/zinc/00/04/11/608000411.db2.gz HSTQWDAWNDKFST-UHFFFAOYSA-N -1 3 307.304 2.631 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)C1CCC(F)(F)CC1 ZINC000826456995 608000412 /nfs/dbraw/zinc/00/04/12/608000412.db2.gz HSTQWDAWNDKFST-UHFFFAOYSA-N -1 3 307.304 2.631 20 0 DFADHM Fc1ccc(NCc2cnc(Cl)s2)cc1-c1nnn[n-]1 ZINC000826375477 608019209 /nfs/dbraw/zinc/01/92/09/608019209.db2.gz PEFGNRIKTNVCMO-UHFFFAOYSA-N -1 3 310.745 2.728 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1cnc(Cl)s1 ZINC000826255442 608024447 /nfs/dbraw/zinc/02/44/47/608024447.db2.gz YFJUGVZCAQEJBE-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM C[C@@H]1C[C@H](C)CN1c1ccc(-c2nn[n-]n2)cc1Br ZINC000824875353 608049966 /nfs/dbraw/zinc/04/99/66/608049966.db2.gz LZKMJJBIRYDMQH-DTWKUNHWSA-N -1 3 322.210 2.864 20 0 DFADHM CCC(CC)[C@H](C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000825096734 608058094 /nfs/dbraw/zinc/05/80/94/608058094.db2.gz QCOVZSIRAGBQMC-JTQLQIEISA-N -1 3 319.384 2.694 20 0 DFADHM CCC(CC)[C@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825096734 608058095 /nfs/dbraw/zinc/05/80/95/608058095.db2.gz QCOVZSIRAGBQMC-JTQLQIEISA-N -1 3 319.384 2.694 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000825097813 608059555 /nfs/dbraw/zinc/05/95/55/608059555.db2.gz ZMCMFQRKGKSVRX-LLVKDONJSA-N -1 3 302.378 2.982 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000825097813 608059556 /nfs/dbraw/zinc/05/95/56/608059556.db2.gz ZMCMFQRKGKSVRX-LLVKDONJSA-N -1 3 302.378 2.982 20 0 DFADHM C[C@@H](Nc1nc2ccccc2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662915 608097690 /nfs/dbraw/zinc/09/76/90/608097690.db2.gz TWFUTLUUFSFNHF-SNVBAGLBSA-N -1 3 305.345 2.916 20 0 DFADHM CC(C)n1cccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824371379 608120260 /nfs/dbraw/zinc/12/02/60/608120260.db2.gz CHFDROCVRQXDMF-UHFFFAOYSA-N -1 3 314.324 2.641 20 0 DFADHM CC(C)n1cccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824371379 608120261 /nfs/dbraw/zinc/12/02/61/608120261.db2.gz CHFDROCVRQXDMF-UHFFFAOYSA-N -1 3 314.324 2.641 20 0 DFADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000826464650 608180209 /nfs/dbraw/zinc/18/02/09/608180209.db2.gz GWJDSDHSQMIQIO-UHFFFAOYSA-N -1 3 320.761 2.939 20 0 DFADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000826464650 608180207 /nfs/dbraw/zinc/18/02/07/608180207.db2.gz GWJDSDHSQMIQIO-UHFFFAOYSA-N -1 3 320.761 2.939 20 0 DFADHM C[C@H](OC(=O)C(C1CC1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824706904 608182934 /nfs/dbraw/zinc/18/29/34/608182934.db2.gz LNUYQRRFZXHXIO-JTQLQIEISA-N -1 3 312.373 2.907 20 0 DFADHM C[C@H](OC(=O)C(C1CC1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824706904 608182935 /nfs/dbraw/zinc/18/29/35/608182935.db2.gz LNUYQRRFZXHXIO-JTQLQIEISA-N -1 3 312.373 2.907 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccco1 ZINC000826232111 608188380 /nfs/dbraw/zinc/18/83/80/608188380.db2.gz NYFKMQXTSOEPSK-ANYFNZRUSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000826232111 608188381 /nfs/dbraw/zinc/18/83/81/608188381.db2.gz NYFKMQXTSOEPSK-ANYFNZRUSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824882364 608195039 /nfs/dbraw/zinc/19/50/39/608195039.db2.gz ANXLAVHCIYPLNV-RYUDHWBXSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824882364 608195041 /nfs/dbraw/zinc/19/50/41/608195041.db2.gz ANXLAVHCIYPLNV-RYUDHWBXSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H]1C[C@@H](CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824882835 608195521 /nfs/dbraw/zinc/19/55/21/608195521.db2.gz CURQECGJAXTWME-UWVGGRQHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H]1C[C@@H](CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824882835 608195522 /nfs/dbraw/zinc/19/55/22/608195522.db2.gz CURQECGJAXTWME-UWVGGRQHSA-N -1 3 307.785 2.747 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ncccc1C ZINC000825609693 608218179 /nfs/dbraw/zinc/21/81/79/608218179.db2.gz RCGYJSWNCJFBAR-UHFFFAOYSA-N -1 3 311.345 2.548 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ncccc1C ZINC000825609693 608218181 /nfs/dbraw/zinc/21/81/81/608218181.db2.gz RCGYJSWNCJFBAR-UHFFFAOYSA-N -1 3 311.345 2.548 20 0 DFADHM O[C@@H](COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000826511050 608220938 /nfs/dbraw/zinc/22/09/38/608220938.db2.gz ZSGSWCHCKUNKNN-AWEZNQCLSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@@H](COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000826511050 608220940 /nfs/dbraw/zinc/22/09/40/608220940.db2.gz ZSGSWCHCKUNKNN-AWEZNQCLSA-N -1 3 316.748 2.633 20 0 DFADHM CCOCCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825590474 608222826 /nfs/dbraw/zinc/22/28/26/608222826.db2.gz VQJYZMGOFLFRBD-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM CCOCCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825590474 608222828 /nfs/dbraw/zinc/22/28/28/608222828.db2.gz VQJYZMGOFLFRBD-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM CC(C)(C)OCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824120099 608224568 /nfs/dbraw/zinc/22/45/68/608224568.db2.gz YCDQTWKNMHFOGX-UHFFFAOYSA-N -1 3 312.377 2.642 20 0 DFADHM CC(C)(C)OCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824120099 608224570 /nfs/dbraw/zinc/22/45/70/608224570.db2.gz YCDQTWKNMHFOGX-UHFFFAOYSA-N -1 3 312.377 2.642 20 0 DFADHM CSc1cc(CNc2ccc(F)cc2-c2nnn[n-]2)ccn1 ZINC000826230435 608241815 /nfs/dbraw/zinc/24/18/15/608241815.db2.gz TYZMDOCRQXSQFG-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM CSc1cc(CNc2ccc(F)cc2-c2nn[n-]n2)ccn1 ZINC000826230435 608241817 /nfs/dbraw/zinc/24/18/17/608241817.db2.gz TYZMDOCRQXSQFG-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(C2CC2)cc1 ZINC000826423499 608245523 /nfs/dbraw/zinc/24/55/23/608245523.db2.gz RLRLOUVYGGZIFX-UHFFFAOYSA-N -1 3 319.368 2.925 20 0 DFADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(C2CC2)cc1 ZINC000826423499 608245525 /nfs/dbraw/zinc/24/55/25/608245525.db2.gz RLRLOUVYGGZIFX-UHFFFAOYSA-N -1 3 319.368 2.925 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000825192736 608245949 /nfs/dbraw/zinc/24/59/49/608245949.db2.gz HTZWBGVLYWNQJG-WFASDCNBSA-N -1 3 313.405 2.589 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000825192736 608245950 /nfs/dbraw/zinc/24/59/50/608245950.db2.gz HTZWBGVLYWNQJG-WFASDCNBSA-N -1 3 313.405 2.589 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825192491 608262210 /nfs/dbraw/zinc/26/22/10/608262210.db2.gz HKSOQTRPBHOIEU-WCQYABFASA-N -1 3 314.393 2.970 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825192491 608262211 /nfs/dbraw/zinc/26/22/11/608262211.db2.gz HKSOQTRPBHOIEU-WCQYABFASA-N -1 3 314.393 2.970 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCc3ccccc3C2)n1 ZINC000826276306 608270872 /nfs/dbraw/zinc/27/08/72/608270872.db2.gz ZWAQCXSRVAZVGH-CQSZACIVSA-N -1 3 306.373 2.540 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCc3ccccc3C2)n1 ZINC000826276306 608270874 /nfs/dbraw/zinc/27/08/74/608270874.db2.gz ZWAQCXSRVAZVGH-CQSZACIVSA-N -1 3 306.373 2.540 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](C)c2ccc(F)cc2)n1 ZINC000826276150 608278754 /nfs/dbraw/zinc/27/87/54/608278754.db2.gz WIJIHOXMIZHFNZ-SNVBAGLBSA-N -1 3 312.352 2.925 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H](C)c2ccc(F)cc2)n1 ZINC000826276150 608278755 /nfs/dbraw/zinc/27/87/55/608278755.db2.gz WIJIHOXMIZHFNZ-SNVBAGLBSA-N -1 3 312.352 2.925 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCc3ccc(F)cc32)n1 ZINC000826275526 608285198 /nfs/dbraw/zinc/28/51/98/608285198.db2.gz BXNYZFAKINBRRI-AWEZNQCLSA-N -1 3 310.336 2.809 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCc3ccc(F)cc32)n1 ZINC000826275526 608285201 /nfs/dbraw/zinc/28/52/01/608285201.db2.gz BXNYZFAKINBRRI-AWEZNQCLSA-N -1 3 310.336 2.809 20 0 DFADHM CS[C@H]1CCC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC000826227490 608287741 /nfs/dbraw/zinc/28/77/41/608287741.db2.gz RPJLGYQIPVXYNE-QWRGUYRKSA-N -1 3 304.423 2.656 20 0 DFADHM CS[C@H]1CCC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC000826227490 608287742 /nfs/dbraw/zinc/28/77/42/608287742.db2.gz RPJLGYQIPVXYNE-QWRGUYRKSA-N -1 3 304.423 2.656 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@]3(CC=CCC3)C2)n1 ZINC000826273954 608287834 /nfs/dbraw/zinc/28/78/34/608287834.db2.gz BGGLOSAKFDOUID-QGZVFWFLSA-N -1 3 310.405 2.897 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@]3(CC=CCC3)C2)n1 ZINC000826273954 608287835 /nfs/dbraw/zinc/28/78/35/608287835.db2.gz BGGLOSAKFDOUID-QGZVFWFLSA-N -1 3 310.405 2.897 20 0 DFADHM COCC1(C)CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826152839 608297899 /nfs/dbraw/zinc/29/78/99/608297899.db2.gz PGFODIWMWPXZNV-UHFFFAOYSA-N -1 3 321.812 2.773 20 0 DFADHM COCC1(C)CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826152839 608297901 /nfs/dbraw/zinc/29/79/01/608297901.db2.gz PGFODIWMWPXZNV-UHFFFAOYSA-N -1 3 321.812 2.773 20 0 DFADHM Cc1ccc2c(c1)CCN2C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826294101 608301892 /nfs/dbraw/zinc/30/18/92/608301892.db2.gz IVGDUEIVZJLLSR-UHFFFAOYSA-N -1 3 320.356 2.770 20 0 DFADHM Cc1ccc2c(c1)CCN2C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826294101 608301893 /nfs/dbraw/zinc/30/18/93/608301893.db2.gz IVGDUEIVZJLLSR-UHFFFAOYSA-N -1 3 320.356 2.770 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C[C@@H]1C ZINC000824947076 608306061 /nfs/dbraw/zinc/30/60/61/608306061.db2.gz MGTRYBNEJPILPV-ZJUUUORDSA-N -1 3 318.356 2.516 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C[C@@H]1C ZINC000824947076 608306063 /nfs/dbraw/zinc/30/60/63/608306063.db2.gz MGTRYBNEJPILPV-ZJUUUORDSA-N -1 3 318.356 2.516 20 0 DFADHM Fc1ccc2c(c1)CCC[C@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000826376168 608306758 /nfs/dbraw/zinc/30/67/58/608306758.db2.gz RCEVELBPJPIPEG-CQSZACIVSA-N -1 3 310.336 2.890 20 0 DFADHM Fc1ccc2c(c1)CCC[C@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000826376168 608306761 /nfs/dbraw/zinc/30/67/61/608306761.db2.gz RCEVELBPJPIPEG-CQSZACIVSA-N -1 3 310.336 2.890 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccccc1C ZINC000826172427 608346398 /nfs/dbraw/zinc/34/63/98/608346398.db2.gz GDIPBRIOLHGEDE-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccccc1C ZINC000826172427 608346399 /nfs/dbraw/zinc/34/63/99/608346399.db2.gz GDIPBRIOLHGEDE-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)c1ccc(C)cc1 ZINC000826167802 608358032 /nfs/dbraw/zinc/35/80/32/608358032.db2.gz RNBSFKUCJYDQCE-UHFFFAOYSA-N -1 3 309.373 2.820 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)c1ccc(C)cc1 ZINC000826167802 608358034 /nfs/dbraw/zinc/35/80/34/608358034.db2.gz RNBSFKUCJYDQCE-UHFFFAOYSA-N -1 3 309.373 2.820 20 0 DFADHM Oc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826511461 608372673 /nfs/dbraw/zinc/37/26/73/608372673.db2.gz RCWDCSWWYLPHEZ-UHFFFAOYSA-N -1 3 301.737 2.838 20 0 DFADHM Oc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826511461 608372675 /nfs/dbraw/zinc/37/26/75/608372675.db2.gz RCWDCSWWYLPHEZ-UHFFFAOYSA-N -1 3 301.737 2.838 20 0 DFADHM Oc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826511585 608381883 /nfs/dbraw/zinc/38/18/83/608381883.db2.gz WQGYBGKYKYWNHP-ZDUSSCGKSA-N -1 3 311.320 2.811 20 0 DFADHM CCc1ncnc(Oc2ccc(-c3nnn[n-]3)cc2Cl)c1F ZINC000825755108 608391528 /nfs/dbraw/zinc/39/15/28/608391528.db2.gz NJOZXOOQJAYSST-UHFFFAOYSA-N -1 3 320.715 2.804 20 0 DFADHM CCc1ncnc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c1F ZINC000825755108 608391530 /nfs/dbraw/zinc/39/15/30/608391530.db2.gz NJOZXOOQJAYSST-UHFFFAOYSA-N -1 3 320.715 2.804 20 0 DFADHM CC(=O)c1ccccc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000824029584 608393213 /nfs/dbraw/zinc/39/32/13/608393213.db2.gz OERFYZYGBDSKPD-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccccc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000824029584 608393214 /nfs/dbraw/zinc/39/32/14/608393214.db2.gz OERFYZYGBDSKPD-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM Fc1c(CSc2nccn2C2CC2)cccc1-c1nnn[n-]1 ZINC000826371921 608396565 /nfs/dbraw/zinc/39/65/65/608396565.db2.gz ZEVPMPNTZRWQNJ-UHFFFAOYSA-N -1 3 316.365 2.830 20 0 DFADHM Fc1c(CSc2nccn2C2CC2)cccc1-c1nn[n-]n1 ZINC000826371921 608396566 /nfs/dbraw/zinc/39/65/66/608396566.db2.gz ZEVPMPNTZRWQNJ-UHFFFAOYSA-N -1 3 316.365 2.830 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826146023 608417184 /nfs/dbraw/zinc/41/71/84/608417184.db2.gz OZLSVVLAVQAKPK-NOZJJQNGSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826146023 608417185 /nfs/dbraw/zinc/41/71/85/608417185.db2.gz OZLSVVLAVQAKPK-NOZJJQNGSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000826146037 608417347 /nfs/dbraw/zinc/41/73/47/608417347.db2.gz PEHRQRGQLCFCFQ-SKDRFNHKSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000826146037 608417348 /nfs/dbraw/zinc/41/73/48/608417348.db2.gz PEHRQRGQLCFCFQ-SKDRFNHKSA-N -1 3 307.785 2.747 20 0 DFADHM CCC(C)(C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825040033 608449560 /nfs/dbraw/zinc/44/95/60/608449560.db2.gz YFVBNJDKFHWEKK-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CCC(C)(C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825040033 608449562 /nfs/dbraw/zinc/44/95/62/608449562.db2.gz YFVBNJDKFHWEKK-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM COc1ccc(CCOc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826192423 608475793 /nfs/dbraw/zinc/47/57/93/608475793.db2.gz NCFKLBLLNHGBSQ-UHFFFAOYSA-N -1 3 310.357 2.805 20 0 DFADHM COc1ccc(C)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826190043 608478936 /nfs/dbraw/zinc/47/89/36/608478936.db2.gz NZCLKFSGBUDXCH-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(C)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826190043 608478937 /nfs/dbraw/zinc/47/89/37/608478937.db2.gz NZCLKFSGBUDXCH-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Fc1cc(F)c(NCc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826372634 608479806 /nfs/dbraw/zinc/47/98/06/608479806.db2.gz GDRWNIGPVIYGHA-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cc(F)c(NCc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826372634 608479808 /nfs/dbraw/zinc/47/98/08/608479808.db2.gz GDRWNIGPVIYGHA-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(F)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826375300 608479823 /nfs/dbraw/zinc/47/98/23/608479823.db2.gz HTTVVWAJGKVYAW-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(F)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826375300 608479824 /nfs/dbraw/zinc/47/98/24/608479824.db2.gz HTTVVWAJGKVYAW-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM O=C(C1CCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826398875 608481786 /nfs/dbraw/zinc/48/17/86/608481786.db2.gz HYIVGQONWMSFLB-UHFFFAOYSA-N -1 3 323.400 2.673 20 0 DFADHM O=C(C1CCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826398875 608481787 /nfs/dbraw/zinc/48/17/87/608481787.db2.gz HYIVGQONWMSFLB-UHFFFAOYSA-N -1 3 323.400 2.673 20 0 DFADHM CC1CC(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824864570 608483037 /nfs/dbraw/zinc/48/30/37/608483037.db2.gz CFGONRYKKUVRKU-UHFFFAOYSA-N -1 3 323.400 2.529 20 0 DFADHM CC1CC(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824864570 608483038 /nfs/dbraw/zinc/48/30/38/608483038.db2.gz CFGONRYKKUVRKU-UHFFFAOYSA-N -1 3 323.400 2.529 20 0 DFADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cscn1 ZINC000824530419 608492482 /nfs/dbraw/zinc/49/24/82/608492482.db2.gz LCRGPWNJPOJGNW-NXEZZACHSA-N -1 3 300.391 2.735 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)nc1NCc1cccc(Cl)c1 ZINC000826280984 608541691 /nfs/dbraw/zinc/54/16/91/608541691.db2.gz YXIYAYOHYICTBN-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CC(C)[C@@H](O)C1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000824199712 608586347 /nfs/dbraw/zinc/58/63/47/608586347.db2.gz LYXGSADHPJYUBC-CYBMUJFWSA-N -1 3 321.812 2.729 20 0 DFADHM CC(C)[C@@H](O)C1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000824199712 608586348 /nfs/dbraw/zinc/58/63/48/608586348.db2.gz LYXGSADHPJYUBC-CYBMUJFWSA-N -1 3 321.812 2.729 20 0 DFADHM Cc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1F ZINC000826298701 608591906 /nfs/dbraw/zinc/59/19/06/608591906.db2.gz DRRIIKUZXFIPIR-KTKRTIGZSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1F ZINC000826298701 608591907 /nfs/dbraw/zinc/59/19/07/608591907.db2.gz DRRIIKUZXFIPIR-KTKRTIGZSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1cccc([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC000826297318 608705076 /nfs/dbraw/zinc/70/50/76/608705076.db2.gz BNVUZGKTQBMPDP-CQSZACIVSA-N -1 3 310.361 2.500 20 0 DFADHM CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825711783 608764118 /nfs/dbraw/zinc/76/41/18/608764118.db2.gz GIZNEESQCDPBRE-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825711783 608764121 /nfs/dbraw/zinc/76/41/21/608764121.db2.gz GIZNEESQCDPBRE-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CCOc1ccc([C@H](C)Nc2cnccc2-c2nnn[n-]2)cc1 ZINC000825639232 608769063 /nfs/dbraw/zinc/76/90/63/608769063.db2.gz VLYOZRJBFVYQBD-NSHDSACASA-N -1 3 310.361 2.834 20 0 DFADHM CCOc1ccc([C@H](C)Nc2cnccc2-c2nn[n-]n2)cc1 ZINC000825639232 608769064 /nfs/dbraw/zinc/76/90/64/608769064.db2.gz VLYOZRJBFVYQBD-NSHDSACASA-N -1 3 310.361 2.834 20 0 DFADHM c1ccc(CSCCNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826522144 608770199 /nfs/dbraw/zinc/77/01/99/608770199.db2.gz NRWDZRBPLQPQGQ-UHFFFAOYSA-N -1 3 312.402 2.607 20 0 DFADHM c1ccc(CSCCNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826522144 608770200 /nfs/dbraw/zinc/77/02/00/608770200.db2.gz NRWDZRBPLQPQGQ-UHFFFAOYSA-N -1 3 312.402 2.607 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cnccc1-c1nnn[n-]1 ZINC000824080402 608785679 /nfs/dbraw/zinc/78/56/79/608785679.db2.gz WJSYGRUXVCVZQW-RISCZKNCSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cnccc1-c1nn[n-]n1 ZINC000824080402 608785683 /nfs/dbraw/zinc/78/56/83/608785683.db2.gz WJSYGRUXVCVZQW-RISCZKNCSA-N -1 3 316.409 2.515 20 0 DFADHM CCOCCC1(CNc2cnccc2-c2nnn[n-]2)CCCC1 ZINC000825590410 608791862 /nfs/dbraw/zinc/79/18/62/608791862.db2.gz SYJXTTFVVPSPDD-UHFFFAOYSA-N -1 3 316.409 2.661 20 0 DFADHM CCOCCC1(CNc2cnccc2-c2nn[n-]n2)CCCC1 ZINC000825590410 608791863 /nfs/dbraw/zinc/79/18/63/608791863.db2.gz SYJXTTFVVPSPDD-UHFFFAOYSA-N -1 3 316.409 2.661 20 0 DFADHM COc1cc(F)cc(CNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826180721 608799453 /nfs/dbraw/zinc/79/94/53/608799453.db2.gz UBMJAXKNHQZNMQ-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1cc(F)cc(CNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826180721 608799456 /nfs/dbraw/zinc/79/94/56/608799456.db2.gz UBMJAXKNHQZNMQ-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CCc1ccccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825727853 608860310 /nfs/dbraw/zinc/86/03/10/608860310.db2.gz AZJHOFDNSNFQAL-UHFFFAOYSA-N -1 3 319.372 2.689 20 0 DFADHM CCc1ccccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825727853 608860315 /nfs/dbraw/zinc/86/03/15/608860315.db2.gz AZJHOFDNSNFQAL-UHFFFAOYSA-N -1 3 319.372 2.689 20 0 DFADHM O=c1[nH]c2ccccc2cc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826511366 608869463 /nfs/dbraw/zinc/86/94/63/608869463.db2.gz MSPXFJUPGULQTA-UHFFFAOYSA-N -1 3 318.340 2.733 20 0 DFADHM CC[C@H]1C[C@H](CNc2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000825182529 609171366 /nfs/dbraw/zinc/17/13/66/609171366.db2.gz KQDIUDSWDHIAQR-OCCSQVGLSA-N -1 3 301.394 2.792 20 0 DFADHM CC[C@H]1C[C@H](CNc2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000825182529 609171368 /nfs/dbraw/zinc/17/13/68/609171368.db2.gz KQDIUDSWDHIAQR-OCCSQVGLSA-N -1 3 301.394 2.792 20 0 DFADHM CC[C@H]1C[C@H](CNc2cccc(-c3nnn[n-]3)c2C)CCO1 ZINC000825184023 609171444 /nfs/dbraw/zinc/17/14/44/609171444.db2.gz QMRPBCWRSDPNTI-OLZOCXBDSA-N -1 3 301.394 2.792 20 0 DFADHM CC[C@H]1C[C@H](CNc2cccc(-c3nn[n-]n3)c2C)CCO1 ZINC000825184023 609171445 /nfs/dbraw/zinc/17/14/45/609171445.db2.gz QMRPBCWRSDPNTI-OLZOCXBDSA-N -1 3 301.394 2.792 20 0 DFADHM Cc1occc1SCCOc1ccccc1-c1nnn[n-]1 ZINC000826342588 609178959 /nfs/dbraw/zinc/17/89/59/609178959.db2.gz RNOCBRMLVMILPW-UHFFFAOYSA-N -1 3 302.359 2.939 20 0 DFADHM Cc1occc1SCCOc1ccccc1-c1nn[n-]n1 ZINC000826342588 609178961 /nfs/dbraw/zinc/17/89/61/609178961.db2.gz RNOCBRMLVMILPW-UHFFFAOYSA-N -1 3 302.359 2.939 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NCCOc1ccccc1 ZINC000825480747 609178991 /nfs/dbraw/zinc/17/89/91/609178991.db2.gz IUTUENBRVLMOSU-UHFFFAOYSA-N -1 3 324.388 2.789 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1ccccn1 ZINC000826173569 609185388 /nfs/dbraw/zinc/18/53/88/609185388.db2.gz JVPSTUXXFHXVFC-UHFFFAOYSA-N -1 3 313.386 2.704 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1ccccn1 ZINC000826173569 609185390 /nfs/dbraw/zinc/18/53/90/609185390.db2.gz JVPSTUXXFHXVFC-UHFFFAOYSA-N -1 3 313.386 2.704 20 0 DFADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825068331 609189291 /nfs/dbraw/zinc/18/92/91/609189291.db2.gz QHQQLEYUCQOTKQ-LBPRGKRZSA-N -1 3 324.388 2.636 20 0 DFADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825068331 609189292 /nfs/dbraw/zinc/18/92/92/609189292.db2.gz QHQQLEYUCQOTKQ-LBPRGKRZSA-N -1 3 324.388 2.636 20 0 DFADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)cnc1Cl ZINC000826271382 609266206 /nfs/dbraw/zinc/26/62/06/609266206.db2.gz OUSNBQGZBUZZDN-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM CC(C)CCNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824249659 609277485 /nfs/dbraw/zinc/27/74/85/609277485.db2.gz QLEFIHZIGPJGAV-UHFFFAOYSA-N -1 3 315.356 2.650 20 0 DFADHM Fc1cc(F)c(NCc2ccccc2-c2nnn[n-]2)cc1F ZINC000826372712 609278164 /nfs/dbraw/zinc/27/81/64/609278164.db2.gz ILXZBYZSFHRKGM-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cc(F)c(NCc2ccccc2-c2nn[n-]n2)cc1F ZINC000826372712 609278166 /nfs/dbraw/zinc/27/81/66/609278166.db2.gz ILXZBYZSFHRKGM-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CCCCCNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825276342 609278772 /nfs/dbraw/zinc/27/87/72/609278772.db2.gz WQMPOCYXDSYNPG-UHFFFAOYSA-N -1 3 315.356 2.794 20 0 DFADHM C[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824926726 609287703 /nfs/dbraw/zinc/28/77/03/609287703.db2.gz LLIRPLDKBMCGQF-GXSJLCMTSA-N -1 3 319.796 2.829 20 0 DFADHM C[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824926726 609287705 /nfs/dbraw/zinc/28/77/05/609287705.db2.gz LLIRPLDKBMCGQF-GXSJLCMTSA-N -1 3 319.796 2.829 20 0 DFADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCCCCC1 ZINC000826472871 609288041 /nfs/dbraw/zinc/28/80/41/609288041.db2.gz ACPRCWCOUQIWFT-UHFFFAOYSA-N -1 3 305.769 2.536 20 0 DFADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCCCCC1 ZINC000826472871 609288043 /nfs/dbraw/zinc/28/80/43/609288043.db2.gz ACPRCWCOUQIWFT-UHFFFAOYSA-N -1 3 305.769 2.536 20 0 DFADHM CC1(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCCC1 ZINC000824823007 609299498 /nfs/dbraw/zinc/29/94/98/609299498.db2.gz IOFIVGRSTIZQNF-UHFFFAOYSA-N -1 3 319.796 2.830 20 0 DFADHM CC1(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCCC1 ZINC000824823007 609299500 /nfs/dbraw/zinc/29/95/00/609299500.db2.gz IOFIVGRSTIZQNF-UHFFFAOYSA-N -1 3 319.796 2.830 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1ccc2c(c1)COC2 ZINC000826372163 609311713 /nfs/dbraw/zinc/31/17/13/609311713.db2.gz KFURMNAGEQZAET-UHFFFAOYSA-N -1 3 312.304 2.615 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1ccc2c(c1)COC2 ZINC000826372163 609311715 /nfs/dbraw/zinc/31/17/15/609311715.db2.gz KFURMNAGEQZAET-UHFFFAOYSA-N -1 3 312.304 2.615 20 0 DFADHM C[C@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@H]1F ZINC000824962120 609319413 /nfs/dbraw/zinc/31/94/13/609319413.db2.gz OMDWYVAUFARLAW-GXFFZTMASA-N -1 3 312.352 2.599 20 0 DFADHM C[C@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@H]1F ZINC000824962120 609319415 /nfs/dbraw/zinc/31/94/15/609319415.db2.gz OMDWYVAUFARLAW-GXFFZTMASA-N -1 3 312.352 2.599 20 0 DFADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccccn1 ZINC000824533148 609321297 /nfs/dbraw/zinc/32/12/97/609321297.db2.gz ZGTXIJOOWWVFFL-WDEREUQCSA-N -1 3 312.352 2.813 20 0 DFADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000824533148 609321299 /nfs/dbraw/zinc/32/12/99/609321299.db2.gz ZGTXIJOOWWVFFL-WDEREUQCSA-N -1 3 312.352 2.813 20 0 DFADHM CN(C[C@@H]1CCCC[C@H]1O)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000825907893 609325485 /nfs/dbraw/zinc/32/54/85/609325485.db2.gz CVQCLRCSSODQGJ-GXFFZTMASA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@@H]1CCCC[C@H]1O)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000825907893 609325487 /nfs/dbraw/zinc/32/54/87/609325487.db2.gz CVQCLRCSSODQGJ-GXFFZTMASA-N -1 3 321.812 2.507 20 0 DFADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC000826210660 609348505 /nfs/dbraw/zinc/34/85/05/609348505.db2.gz ZPFDLVZUWYTFHT-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC000826210660 609348508 /nfs/dbraw/zinc/34/85/08/609348508.db2.gz ZPFDLVZUWYTFHT-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1cncc(F)c1 ZINC000824663058 609386794 /nfs/dbraw/zinc/38/67/94/609386794.db2.gz VOEMTMZUNIISGJ-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824663058 609386796 /nfs/dbraw/zinc/38/67/96/609386796.db2.gz VOEMTMZUNIISGJ-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824795798 609391920 /nfs/dbraw/zinc/39/19/20/609391920.db2.gz FEAPLUQGXRMQEX-JTQLQIEISA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824795798 609391922 /nfs/dbraw/zinc/39/19/22/609391922.db2.gz FEAPLUQGXRMQEX-JTQLQIEISA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000824797277 609392251 /nfs/dbraw/zinc/39/22/51/609392251.db2.gz XTDXDHZOLKWBKP-NSHDSACASA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000824797277 609392254 /nfs/dbraw/zinc/39/22/54/609392254.db2.gz XTDXDHZOLKWBKP-NSHDSACASA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824915558 609396542 /nfs/dbraw/zinc/39/65/42/609396542.db2.gz GLDBYCVDWQZONY-PXAZEXFGSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824915558 609396544 /nfs/dbraw/zinc/39/65/44/609396544.db2.gz GLDBYCVDWQZONY-PXAZEXFGSA-N -1 3 311.389 2.519 20 0 DFADHM Cc1cc(OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000826271933 609419055 /nfs/dbraw/zinc/41/90/55/609419055.db2.gz NMFCDWWERMLXCJ-UHFFFAOYSA-N -1 3 311.345 2.846 20 0 DFADHM Cc1cc(OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)ccc1C(C)C ZINC000826271933 609419057 /nfs/dbraw/zinc/41/90/57/609419057.db2.gz NMFCDWWERMLXCJ-UHFFFAOYSA-N -1 3 311.345 2.846 20 0 DFADHM C[C@H](CNc1nc2ccccn2c1-c1nnn[n-]1)c1ccccc1 ZINC000824435106 609456435 /nfs/dbraw/zinc/45/64/35/609456435.db2.gz LQAQFRKEWWRVRJ-GFCCVEGCSA-N -1 3 319.372 2.730 20 0 DFADHM C[C@H](CNc1nc2ccccn2c1-c1nn[n-]n1)c1ccccc1 ZINC000824435106 609456438 /nfs/dbraw/zinc/45/64/38/609456438.db2.gz LQAQFRKEWWRVRJ-GFCCVEGCSA-N -1 3 319.372 2.730 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C)cn1 ZINC000825631942 609476603 /nfs/dbraw/zinc/47/66/03/609476603.db2.gz JKYGNWOVPIKFFN-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C)cn1 ZINC000825631942 609476605 /nfs/dbraw/zinc/47/66/05/609476605.db2.gz JKYGNWOVPIKFFN-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826231473 609479147 /nfs/dbraw/zinc/47/91/47/609479147.db2.gz MXGDFMZVIOCXTR-CYBMUJFWSA-N -1 3 321.384 2.629 20 0 DFADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826231473 609479148 /nfs/dbraw/zinc/47/91/48/609479148.db2.gz MXGDFMZVIOCXTR-CYBMUJFWSA-N -1 3 321.384 2.629 20 0 DFADHM Fc1cccc(CCOc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826376484 609481950 /nfs/dbraw/zinc/48/19/50/609481950.db2.gz GDYZSTDKOBKBJW-UHFFFAOYSA-N -1 3 302.284 2.766 20 0 DFADHM Cc1c(NCc2nn(C)c3ccccc23)cccc1-c1nnn[n-]1 ZINC000826242896 609486613 /nfs/dbraw/zinc/48/66/13/609486613.db2.gz LEFSSHNXUNXXSM-UHFFFAOYSA-N -1 3 319.372 2.674 20 0 DFADHM Cc1c(NCc2nn(C)c3ccccc23)cccc1-c1nn[n-]n1 ZINC000826242896 609486619 /nfs/dbraw/zinc/48/66/19/609486619.db2.gz LEFSSHNXUNXXSM-UHFFFAOYSA-N -1 3 319.372 2.674 20 0 DFADHM CCOc1cccc(CSc2ccccc2-c2nnn[n-]2)n1 ZINC000825649126 609487976 /nfs/dbraw/zinc/48/79/76/609487976.db2.gz LXVNQVPJYPBZDD-UHFFFAOYSA-N -1 3 313.386 2.953 20 0 DFADHM CCOc1cccc(CSc2ccccc2-c2nn[n-]n2)n1 ZINC000825649126 609487977 /nfs/dbraw/zinc/48/79/77/609487977.db2.gz LXVNQVPJYPBZDD-UHFFFAOYSA-N -1 3 313.386 2.953 20 0 DFADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000826420491 609489075 /nfs/dbraw/zinc/48/90/75/609489075.db2.gz PDCXBGIMNPUWQZ-UHFFFAOYSA-N -1 3 310.382 2.771 20 0 DFADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000826420491 609489076 /nfs/dbraw/zinc/48/90/76/609489076.db2.gz PDCXBGIMNPUWQZ-UHFFFAOYSA-N -1 3 310.382 2.771 20 0 DFADHM CCc1nnc(CSc2cccc(-c3nnn[n-]3)c2)s1 ZINC000825766596 609490266 /nfs/dbraw/zinc/49/02/66/609490266.db2.gz BDNNHHKLSRTTOW-UHFFFAOYSA-N -1 3 304.404 2.573 20 0 DFADHM CCc1nnc(CSc2cccc(-c3nn[n-]n3)c2)s1 ZINC000825766596 609490268 /nfs/dbraw/zinc/49/02/68/609490268.db2.gz BDNNHHKLSRTTOW-UHFFFAOYSA-N -1 3 304.404 2.573 20 0 DFADHM Fc1cccc(CCOc2ccc(-c3nnn[n-]3)cc2F)c1F ZINC000826371945 609491044 /nfs/dbraw/zinc/49/10/44/609491044.db2.gz AGCHAZSGHFQUHJ-UHFFFAOYSA-N -1 3 320.274 2.906 20 0 DFADHM Fc1cccc(CCOc2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000826371945 609491046 /nfs/dbraw/zinc/49/10/46/609491046.db2.gz AGCHAZSGHFQUHJ-UHFFFAOYSA-N -1 3 320.274 2.906 20 0 DFADHM C[C@@H]1CCC[C@@H]1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824928110 609512085 /nfs/dbraw/zinc/51/20/85/609512085.db2.gz RDFWGLMVPBYMAX-SKDRFNHKSA-N -1 3 320.780 3.000 20 0 DFADHM C[C@@H]1CCC[C@@H]1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824928110 609512086 /nfs/dbraw/zinc/51/20/86/609512086.db2.gz RDFWGLMVPBYMAX-SKDRFNHKSA-N -1 3 320.780 3.000 20 0 DFADHM Cc1c(Cl)cnc(N(C)Cc2ccsc2)c1-c1nnn[n-]1 ZINC000826236760 609521515 /nfs/dbraw/zinc/52/15/15/609521515.db2.gz BKMSIFQJHOXHOT-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1c(Cl)cnc(N(C)Cc2ccsc2)c1-c1nn[n-]n1 ZINC000826236760 609521518 /nfs/dbraw/zinc/52/15/18/609521518.db2.gz BKMSIFQJHOXHOT-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ccnc(N2CCC[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826310955 609527344 /nfs/dbraw/zinc/52/73/44/609527344.db2.gz OMSAILVTXYQALY-CQSZACIVSA-N -1 3 306.373 2.912 20 0 DFADHM Cc1ccnc(N2CCC[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826310955 609527345 /nfs/dbraw/zinc/52/73/45/609527345.db2.gz OMSAILVTXYQALY-CQSZACIVSA-N -1 3 306.373 2.912 20 0 DFADHM Cc1ccccc1C[C@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000826306592 609537691 /nfs/dbraw/zinc/53/76/91/609537691.db2.gz FEWODAWXECSXNQ-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccccc1C[C@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000826306592 609537692 /nfs/dbraw/zinc/53/76/92/609537692.db2.gz FEWODAWXECSXNQ-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825052737 609551566 /nfs/dbraw/zinc/55/15/66/609551566.db2.gz YGZWVSBKADDYDR-UWVGGRQHSA-N -1 3 305.357 2.651 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825052737 609551568 /nfs/dbraw/zinc/55/15/68/609551568.db2.gz YGZWVSBKADDYDR-UWVGGRQHSA-N -1 3 305.357 2.651 20 0 DFADHM Cc1c(Cl)cnc(NCC2CCSCC2)c1-c1nnn[n-]1 ZINC000826239974 609553408 /nfs/dbraw/zinc/55/34/08/609553408.db2.gz WQFBLRPUVLYQIU-UHFFFAOYSA-N -1 3 324.841 2.779 20 0 DFADHM Cc1c(Cl)cnc(NCC2CCSCC2)c1-c1nn[n-]n1 ZINC000826239974 609553411 /nfs/dbraw/zinc/55/34/11/609553411.db2.gz WQFBLRPUVLYQIU-UHFFFAOYSA-N -1 3 324.841 2.779 20 0 DFADHM CSCCCCNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826228834 609556321 /nfs/dbraw/zinc/55/63/21/609556321.db2.gz CLYDIZBRJVLNCP-UHFFFAOYSA-N -1 3 312.830 2.779 20 0 DFADHM CSCCCCNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826228834 609556323 /nfs/dbraw/zinc/55/63/23/609556323.db2.gz CLYDIZBRJVLNCP-UHFFFAOYSA-N -1 3 312.830 2.779 20 0 DFADHM Cc1c(Cl)cnc(N2CCS[C@H](C)[C@H]2C)c1-c1nnn[n-]1 ZINC000826239089 609557121 /nfs/dbraw/zinc/55/71/21/609557121.db2.gz XSNOLHQPYISXQN-RKDXNWHRSA-N -1 3 324.841 2.554 20 0 DFADHM Cc1c(Cl)cnc(N2CCS[C@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000826239089 609557123 /nfs/dbraw/zinc/55/71/23/609557123.db2.gz XSNOLHQPYISXQN-RKDXNWHRSA-N -1 3 324.841 2.554 20 0 DFADHM Cc1ccnc(N2CC[C@@H](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826310160 609560427 /nfs/dbraw/zinc/56/04/27/609560427.db2.gz NCSQVUCIAKPIEH-HNNXBMFYSA-N -1 3 320.400 2.639 20 0 DFADHM Cc1ccnc(N2CC[C@@H](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826310160 609560429 /nfs/dbraw/zinc/56/04/29/609560429.db2.gz NCSQVUCIAKPIEH-HNNXBMFYSA-N -1 3 320.400 2.639 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)nc1)[C@H](C)C2 ZINC000826293893 609570529 /nfs/dbraw/zinc/57/05/29/609570529.db2.gz DKKIXXQENWFRIQ-BZNIZROVSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)nc1)[C@H](C)C2 ZINC000826293893 609570531 /nfs/dbraw/zinc/57/05/31/609570531.db2.gz DKKIXXQENWFRIQ-BZNIZROVSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1cnc([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)s1 ZINC000826317599 609571131 /nfs/dbraw/zinc/57/11/31/609571131.db2.gz INYHZGAQXRJXCK-VIFPVBQESA-N -1 3 301.379 2.508 20 0 DFADHM Cc1cnc([C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)s1 ZINC000826317599 609571133 /nfs/dbraw/zinc/57/11/33/609571133.db2.gz INYHZGAQXRJXCK-VIFPVBQESA-N -1 3 301.379 2.508 20 0 DFADHM C(=C/[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1)\c1ccccc1 ZINC000823861448 609577488 /nfs/dbraw/zinc/57/74/88/609577488.db2.gz JCTBVDSCWCGHSN-NKSUMMKUSA-N -1 3 318.384 2.944 20 0 DFADHM C(=C/[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1)\c1ccccc1 ZINC000823861448 609577489 /nfs/dbraw/zinc/57/74/89/609577489.db2.gz JCTBVDSCWCGHSN-NKSUMMKUSA-N -1 3 318.384 2.944 20 0 DFADHM C(=C\[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)\c1ccccc1 ZINC000823861301 609577514 /nfs/dbraw/zinc/57/75/14/609577514.db2.gz DBRMWLHWAASEKW-CDNLZTBQSA-N -1 3 318.384 2.944 20 0 DFADHM C(=C\[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)\c1ccccc1 ZINC000823861301 609577515 /nfs/dbraw/zinc/57/75/15/609577515.db2.gz DBRMWLHWAASEKW-CDNLZTBQSA-N -1 3 318.384 2.944 20 0 DFADHM C(=C/[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1)\c1ccccc1 ZINC000823861483 609578392 /nfs/dbraw/zinc/57/83/92/609578392.db2.gz KFIWGINWTFANGU-DZZUKKPASA-N -1 3 318.384 2.944 20 0 DFADHM C(=C/[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1)\c1ccccc1 ZINC000823861483 609578394 /nfs/dbraw/zinc/57/83/94/609578394.db2.gz KFIWGINWTFANGU-DZZUKKPASA-N -1 3 318.384 2.944 20 0 DFADHM Clc1cc(NCC[C@@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC000826350729 609581468 /nfs/dbraw/zinc/58/14/68/609581468.db2.gz ITGNVLJSHKRNAO-NSHDSACASA-N -1 3 307.785 2.891 20 0 DFADHM Clc1cc(NCC[C@@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC000826350729 609581469 /nfs/dbraw/zinc/58/14/69/609581469.db2.gz ITGNVLJSHKRNAO-NSHDSACASA-N -1 3 307.785 2.891 20 0 DFADHM CS[C@H](CNc1nc(C)ccc1-c1nnn[n-]1)C(C)(C)C ZINC000826226151 609591430 /nfs/dbraw/zinc/59/14/30/609591430.db2.gz SWSGTTIRQKZNHI-LLVKDONJSA-N -1 3 306.439 2.760 20 0 DFADHM CS[C@H](CNc1nc(C)ccc1-c1nn[n-]n1)C(C)(C)C ZINC000826226151 609591433 /nfs/dbraw/zinc/59/14/33/609591433.db2.gz SWSGTTIRQKZNHI-LLVKDONJSA-N -1 3 306.439 2.760 20 0 DFADHM C[C@H]1C[C@H](CCNc2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824883959 609596207 /nfs/dbraw/zinc/59/62/07/609596207.db2.gz KEIUWWFRVKVYBQ-VHSXEESVSA-N -1 3 322.800 2.532 20 0 DFADHM C[C@H]1C[C@H](CCNc2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824883959 609596210 /nfs/dbraw/zinc/59/62/10/609596210.db2.gz KEIUWWFRVKVYBQ-VHSXEESVSA-N -1 3 322.800 2.532 20 0 DFADHM Cc1c(Cl)cnc(NC23CCC(CC2)C3)c1-c1nnn[n-]1 ZINC000826238597 609597530 /nfs/dbraw/zinc/59/75/30/609597530.db2.gz KGPWDONVCRATPI-UHFFFAOYSA-N -1 3 304.785 2.968 20 0 DFADHM Cc1c(Cl)cnc(NC23CCC(CC2)C3)c1-c1nn[n-]n1 ZINC000826238597 609597532 /nfs/dbraw/zinc/59/75/32/609597532.db2.gz KGPWDONVCRATPI-UHFFFAOYSA-N -1 3 304.785 2.968 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000826282610 609618486 /nfs/dbraw/zinc/61/84/86/609618486.db2.gz WXGLFBBFZHZSIG-UHFFFAOYSA-N -1 3 318.720 2.779 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000826282610 609618488 /nfs/dbraw/zinc/61/84/88/609618488.db2.gz WXGLFBBFZHZSIG-UHFFFAOYSA-N -1 3 318.720 2.779 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1CC=CCC1 ZINC000826465622 609619604 /nfs/dbraw/zinc/61/96/04/609619604.db2.gz UZOXQPYZGZMYET-JTQLQIEISA-N -1 3 318.764 2.920 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1CC=CCC1 ZINC000826465622 609619605 /nfs/dbraw/zinc/61/96/05/609619605.db2.gz UZOXQPYZGZMYET-JTQLQIEISA-N -1 3 318.764 2.920 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825052485 609638949 /nfs/dbraw/zinc/63/89/49/609638949.db2.gz XMUZRJNDFMITFX-VAWYXSNFSA-N -1 3 316.361 2.535 20 0 DFADHM C[C@@H]1CC(C(=O)OCc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000824876190 609640564 /nfs/dbraw/zinc/64/05/64/609640564.db2.gz RBTKNXSZTLSSSA-RYUDHWBXSA-N -1 3 314.389 2.982 20 0 DFADHM C[C@@H]1CC(C(=O)OCc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000824876190 609640565 /nfs/dbraw/zinc/64/05/65/609640565.db2.gz RBTKNXSZTLSSSA-RYUDHWBXSA-N -1 3 314.389 2.982 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000825058900 609642213 /nfs/dbraw/zinc/64/22/13/609642213.db2.gz BDXHZXXEUWIVBG-ZJUUUORDSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000825058900 609642214 /nfs/dbraw/zinc/64/22/14/609642214.db2.gz BDXHZXXEUWIVBG-ZJUUUORDSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825059968 609642262 /nfs/dbraw/zinc/64/22/62/609642262.db2.gz MQYYHRQXAOEJCR-WDEREUQCSA-N -1 3 318.377 2.601 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825059968 609642264 /nfs/dbraw/zinc/64/22/64/609642264.db2.gz MQYYHRQXAOEJCR-WDEREUQCSA-N -1 3 318.377 2.601 20 0 DFADHM COC1(c2noc(-c3ccc(C)c(C)c3[O-])n2)CCOCC1 ZINC000278282103 214065604 /nfs/dbraw/zinc/06/56/04/214065604.db2.gz UREQIWJEIPXIMZ-UHFFFAOYSA-N -1 3 304.346 2.711 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1cccs1 ZINC000074768665 185016358 /nfs/dbraw/zinc/01/63/58/185016358.db2.gz WHFUYIRWEGBASH-NSHDSACASA-N -1 3 309.412 2.593 20 0 DFADHM Cc1ccc(C)c(OCCCCC(=O)[N-]OCC(C)(C)O)c1 ZINC000278539231 214222446 /nfs/dbraw/zinc/22/24/46/214222446.db2.gz FREISFPDMXLGLT-UHFFFAOYSA-N -1 3 309.406 2.671 20 0 DFADHM COC(=O)c1ccc(-c2nc(CO[C@@H]3CCCC[C@@H]3C)no2)[n-]1 ZINC000291781652 222612808 /nfs/dbraw/zinc/61/28/08/222612808.db2.gz AEPKXMISYQNTPL-GXFFZTMASA-N -1 3 319.361 2.947 20 0 DFADHM CC(C)(O)CO[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000278623563 214282809 /nfs/dbraw/zinc/28/28/09/214282809.db2.gz MPEAIDOOZVDMID-UHFFFAOYSA-N -1 3 321.417 2.759 20 0 DFADHM Cc1ccc([O-])c(CN2CCC(Oc3ccncc3C)CC2)n1 ZINC000278667244 214313171 /nfs/dbraw/zinc/31/31/71/214313171.db2.gz LGXGRMMDVKFIKZ-UHFFFAOYSA-N -1 3 313.401 2.842 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]C(C)(C)c2nccs2)c1F ZINC000181293631 199277928 /nfs/dbraw/zinc/27/79/28/199277928.db2.gz KAHOGAMKGISLFE-UHFFFAOYSA-N -1 3 314.407 2.804 20 0 DFADHM O=C(c1cccc([O-])c1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000305796533 231057567 /nfs/dbraw/zinc/05/75/67/231057567.db2.gz ASWVHWRHYCYSRK-CZUORRHYSA-N -1 3 319.307 2.619 20 0 DFADHM COCC[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1ccco1 ZINC000278707206 214342059 /nfs/dbraw/zinc/34/20/59/214342059.db2.gz GJLDBBPXSLIKKQ-LBPRGKRZSA-N -1 3 324.327 2.969 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C2CCC(CO)CC2)sc1Cl ZINC000311470661 231118991 /nfs/dbraw/zinc/11/89/91/231118991.db2.gz IOWPMGBNOLGWHF-UHFFFAOYSA-N -1 3 323.867 2.539 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]CCN(C)c2ccccc2)c1F ZINC000313223053 231123273 /nfs/dbraw/zinc/12/32/73/231123273.db2.gz YBBUICAGNHXXKY-UHFFFAOYSA-N -1 3 322.405 2.549 20 0 DFADHM O=C1[N-]C(=O)c2cc(NCc3cc(F)c(F)c(F)c3)ccc21 ZINC000315273373 231139990 /nfs/dbraw/zinc/13/99/90/231139990.db2.gz AKDMEDXSBXHUMI-UHFFFAOYSA-N -1 3 306.243 2.600 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(C(C)C)cc2)cn1C ZINC000066086388 398356988 /nfs/dbraw/zinc/35/69/88/398356988.db2.gz QFNYXDOCIBTEOO-GFCCVEGCSA-N -1 3 321.446 2.891 20 0 DFADHM O=C([O-])C[C@H]1CSCCN1C[C@@H]1CCC2(CCCCC2)O1 ZINC000229361490 398355005 /nfs/dbraw/zinc/35/50/05/398355005.db2.gz MIIOJZBWEJRRFH-KBPBESRZSA-N -1 3 313.463 2.760 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccnc1 ZINC000007146851 398359593 /nfs/dbraw/zinc/35/95/93/398359593.db2.gz CKGLONYSAKIQJB-MRVPVSSYSA-N -1 3 316.304 2.538 20 0 DFADHM CCc1cc(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)ccc1[O-] ZINC000293031685 529518250 /nfs/dbraw/zinc/51/82/50/529518250.db2.gz VNIWZSONJSRGTP-NSHDSACASA-N -1 3 322.405 2.598 20 0 DFADHM CC(C)Cc1nnc([N-]C(=O)c2cnn(C)c2C(F)F)s1 ZINC000066269693 398366405 /nfs/dbraw/zinc/36/64/05/398366405.db2.gz ADVVFGWNJNDVDU-UHFFFAOYSA-N -1 3 315.349 2.660 20 0 DFADHM O=C(c1ccccc1[O-])N1CCC(COc2ccccn2)CC1 ZINC000081732742 398367951 /nfs/dbraw/zinc/36/79/51/398367951.db2.gz CKWVBTFMCSHMLS-UHFFFAOYSA-N -1 3 312.369 2.718 20 0 DFADHM COCCCCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731123 398368095 /nfs/dbraw/zinc/36/80/95/398368095.db2.gz BVBUQTIAWJFGFG-UHFFFAOYSA-N -1 3 310.304 2.505 20 0 DFADHM COCCCCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731123 398368098 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DFADHM CC[C@H]1CN(CC)CCN1C(=O)c1cc(SC)ccc1[O-] ZINC000615960687 399404026 /nfs/dbraw/zinc/40/40/26/399404026.db2.gz NDYLITNGTGHCAM-LBPRGKRZSA-N -1 3 308.447 2.670 20 0 DFADHM CSCc1ccc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)cc1 ZINC000602194714 399408281 /nfs/dbraw/zinc/40/82/81/399408281.db2.gz LEXXTGTTXDKYSE-UHFFFAOYSA-N -1 3 315.398 2.510 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CC3(CCCC3)OC[C@@H]2C)c1 ZINC000619930118 399411670 /nfs/dbraw/zinc/41/16/70/399411670.db2.gz MMIMOVLPWSZPEH-LBPRGKRZSA-N -1 3 305.374 2.575 20 0 DFADHM COCCC[C@@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022709 399412528 /nfs/dbraw/zinc/41/25/28/399412528.db2.gz ISVCBPIFELBVND-GFCCVEGCSA-N -1 3 302.374 2.619 20 0 DFADHM CC(C)(C)c1n[nH]cc1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022097 399412645 /nfs/dbraw/zinc/41/26/45/399412645.db2.gz BZCDXRPQJHHGAR-UHFFFAOYSA-N -1 3 324.384 2.891 20 0 DFADHM CC(C)COCCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616019956 399412789 /nfs/dbraw/zinc/41/27/89/399412789.db2.gz HGVANYHGBCKIEX-UHFFFAOYSA-N -1 3 302.374 2.619 20 0 DFADHM COC1(C(=O)NCc2ccc([O-])c3ncccc23)CCCCC1 ZINC000616024042 399413357 /nfs/dbraw/zinc/41/33/57/399413357.db2.gz YIUDKLULZGAVPT-UHFFFAOYSA-N -1 3 314.385 2.906 20 0 DFADHM C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023772 399413460 /nfs/dbraw/zinc/41/34/60/399413460.db2.gz WCAUBEFYJGTRAU-RYUDHWBXSA-N -1 3 312.369 2.562 20 0 DFADHM COCCC1(C(=O)NCc2ccc([O-])c3ncccc23)CCC1 ZINC000616024414 399413602 /nfs/dbraw/zinc/41/36/02/399413602.db2.gz BUAWPUIXPPNWKV-UHFFFAOYSA-N -1 3 314.385 2.763 20 0 DFADHM CC(C)OCCCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616024085 399413617 /nfs/dbraw/zinc/41/36/17/399413617.db2.gz YNMDWFKSVRCQNE-UHFFFAOYSA-N -1 3 302.374 2.762 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c1 ZINC000268976264 207138585 /nfs/dbraw/zinc/13/85/85/207138585.db2.gz NHWQFBWBWVAGMA-LBPRGKRZSA-N -1 3 313.394 2.514 20 0 DFADHM Cc1cc(C(=O)N2CCOC(C3CC3)(C3CC3)C2)ccc1[O-] ZINC000619949908 399414935 /nfs/dbraw/zinc/41/49/35/399414935.db2.gz 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/nfs/dbraw/zinc/53/41/74/299534174.db2.gz ABHLJBFHQDRUQF-VURMDHGXSA-N -1 3 301.317 2.870 20 0 DFADHM CNc1snc(C)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000063109665 184271279 /nfs/dbraw/zinc/27/12/79/184271279.db2.gz HMELYLBBECNRCU-UHFFFAOYSA-N -1 3 305.335 2.535 20 0 DFADHM CCNc1nc(C(=O)[N-]c2nnc(C(F)F)s2)cs1 ZINC000269184089 207302965 /nfs/dbraw/zinc/30/29/65/207302965.db2.gz KPKGSIWCOTUYJH-UHFFFAOYSA-N -1 3 305.335 2.616 20 0 DFADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC2(COC2)C1 ZINC000620290136 399473772 /nfs/dbraw/zinc/47/37/72/399473772.db2.gz MESKNUYDUIYOJL-UHFFFAOYSA-N -1 3 323.392 2.846 20 0 DFADHM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1nc(C)ccc1[O-] ZINC000294410342 224015994 /nfs/dbraw/zinc/01/59/94/224015994.db2.gz WJAMRGRBOHNSCY-UHFFFAOYSA-N -1 3 302.378 2.671 20 0 DFADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCC2(CC2(F)F)CC1 ZINC000616541411 399482322 /nfs/dbraw/zinc/48/23/22/399482322.db2.gz MJLWSNYAJPVBIS-UHFFFAOYSA-N -1 3 307.300 2.530 20 0 DFADHM Cc1ccccc1-c1nc(=N[C@@H]2CCN(CC3CC3)C2)s[n-]1 ZINC000623956095 399504090 /nfs/dbraw/zinc/50/40/90/399504090.db2.gz TZASDUPJJAOCCJ-CQSZACIVSA-N -1 3 314.458 2.832 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)O2)c(F)c1F ZINC000625278752 399506776 /nfs/dbraw/zinc/50/67/76/399506776.db2.gz AJTNEDATZXTHJH-QWRGUYRKSA-N -1 3 319.373 2.509 20 0 DFADHM COC1(c2noc(-c3n[n-]nc3-c3ccccc3)n2)CCCC1 ZINC000347071303 285012432 /nfs/dbraw/zinc/01/24/32/285012432.db2.gz QJIRHWVRIKYXIF-UHFFFAOYSA-N -1 3 311.345 2.937 20 0 DFADHM O=C([O-])c1ccc(CNC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000261800858 304243741 /nfs/dbraw/zinc/24/37/41/304243741.db2.gz UVOQFAYYFRBAIY-INIZCTEOSA-N -1 3 314.385 2.905 20 0 DFADHM C[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1cccc(F)c1 ZINC000119615776 195002835 /nfs/dbraw/zinc/00/28/35/195002835.db2.gz PFMZSEZNPLDDBY-JTQLQIEISA-N -1 3 313.336 2.692 20 0 DFADHM C[C@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1cccc(F)c1 ZINC000119615776 195002837 /nfs/dbraw/zinc/00/28/37/195002837.db2.gz PFMZSEZNPLDDBY-JTQLQIEISA-N -1 3 313.336 2.692 20 0 DFADHM 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CCO[C@@H](CSc1nc(=O)cc([O-])n1C1CCCC1)C1CC1 ZINC000629123900 399516669 /nfs/dbraw/zinc/51/66/69/399516669.db2.gz LKSAFIZUBPFIMU-ZDUSSCGKSA-N -1 3 324.446 2.971 20 0 DFADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000496024076 300008421 /nfs/dbraw/zinc/00/84/21/300008421.db2.gz IDZMVJPHXKTHGM-ZJUUUORDSA-N -1 3 324.343 2.748 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cncc(Cl)c2)s1 ZINC000269990390 208044670 /nfs/dbraw/zinc/04/46/70/208044670.db2.gz OZMFOZDDGCQPIK-QMMMGPOBSA-N -1 3 317.823 2.539 20 0 DFADHM O=C(Cc1cncc([O-])c1)Nc1c(F)cccc1NC1CC1 ZINC000611752570 399518983 /nfs/dbraw/zinc/51/89/83/399518983.db2.gz YVQPILLLSLMNGH-UHFFFAOYSA-N -1 3 301.321 2.682 20 0 DFADHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cscc1Br ZINC000631906625 399524215 /nfs/dbraw/zinc/52/42/15/399524215.db2.gz RBXLXAHVFSIQPT-IONNQARKSA-N -1 3 324.265 2.978 20 0 DFADHM O=C([N-]c1cnoc1)c1cnn2c1nccc2-c1ccccc1 ZINC000624009704 399521677 /nfs/dbraw/zinc/52/16/77/399521677.db2.gz RTWUWWWHOZXYFA-UHFFFAOYSA-N -1 3 305.297 2.637 20 0 DFADHM [O-]c1ccc(Cl)c(CN2CCC(Cn3cncn3)CC2)c1 ZINC000625339896 399527355 /nfs/dbraw/zinc/52/73/55/399527355.db2.gz IOGSMWPLWVHYJB-UHFFFAOYSA-N -1 3 306.797 2.549 20 0 DFADHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc2c(c1[O-])CCCC2 ZINC000629146912 399527439 /nfs/dbraw/zinc/52/74/39/399527439.db2.gz WIJWKGLRMTVOCQ-XJKSGUPXSA-N -1 3 301.386 2.568 20 0 DFADHM O=S(=O)([N-]CCCC1CC1)c1cscc1Br ZINC000631989187 399537343 /nfs/dbraw/zinc/53/73/43/399537343.db2.gz PVQHMWCKFPRUJA-UHFFFAOYSA-N -1 3 324.265 2.979 20 0 DFADHM CCCCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000120173753 195112473 /nfs/dbraw/zinc/11/24/73/195112473.db2.gz PXGCWWWCESHADC-HNNXBMFYSA-N -1 3 318.417 2.645 20 0 DFADHM CC(C)(C)n1nccc1NC(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000620619791 399543700 /nfs/dbraw/zinc/54/37/00/399543700.db2.gz WJXMFDHAUSNXLP-UHFFFAOYSA-N -1 3 301.272 2.632 20 0 DFADHM CC(C)(C)n1nccc1NC(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000620619791 399543703 /nfs/dbraw/zinc/54/37/03/399543703.db2.gz 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/nfs/dbraw/zinc/54/80/90/399548090.db2.gz FNFOGHVOLLCGIU-UHFFFAOYSA-N -1 3 317.679 2.938 20 0 DFADHM CC(C)Cn1ccnc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000120196901 195117451 /nfs/dbraw/zinc/11/74/51/195117451.db2.gz FNQBMIUPEZZAFX-UHFFFAOYSA-N -1 3 310.357 2.633 20 0 DFADHM CC(C)Cn1ccnc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000120196901 195117453 /nfs/dbraw/zinc/11/74/53/195117453.db2.gz FNQBMIUPEZZAFX-UHFFFAOYSA-N -1 3 310.357 2.633 20 0 DFADHM Cc1csc([C@@H]([N-]S(=O)(=O)CCC(C)(F)F)C2CC2)n1 ZINC000632033297 399548914 /nfs/dbraw/zinc/54/89/14/399548914.db2.gz NZVBETDIGHNTDI-JTQLQIEISA-N -1 3 324.418 2.867 20 0 DFADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)Cc1ccccc1F ZINC000288610086 220287693 /nfs/dbraw/zinc/28/76/93/220287693.db2.gz KTLKMJNMTCZBAR-BZNIZROVSA-N -1 3 321.373 2.767 20 0 DFADHM CC(C)CCO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccco2)CC1 ZINC000625453760 399559255 /nfs/dbraw/zinc/55/92/55/399559255.db2.gz SNSFUWDGHFTEDG-HDJSIYSDSA-N -1 3 315.435 2.932 20 0 DFADHM CCC(F)(F)C[N-]S(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000625453720 399559979 /nfs/dbraw/zinc/55/99/79/399559979.db2.gz CSYCGNPHKMLKIZ-UHFFFAOYSA-N -1 3 316.373 2.810 20 0 DFADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000625455072 399561123 /nfs/dbraw/zinc/56/11/23/399561123.db2.gz KYESEODNJMGAMP-OAHLLOKOSA-N -1 3 324.380 2.578 20 0 DFADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000602766259 399562254 /nfs/dbraw/zinc/56/22/54/399562254.db2.gz WMCGTRIZASPZPD-GHMZBOCLSA-N -1 3 304.350 2.599 20 0 DFADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000602766259 399562257 /nfs/dbraw/zinc/56/22/57/399562257.db2.gz WMCGTRIZASPZPD-GHMZBOCLSA-N -1 3 304.350 2.599 20 0 DFADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000602766259 399562262 /nfs/dbraw/zinc/56/22/62/399562262.db2.gz WMCGTRIZASPZPD-GHMZBOCLSA-N -1 3 304.350 2.599 20 0 DFADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000602766262 399561876 /nfs/dbraw/zinc/56/18/76/399561876.db2.gz WMCGTRIZASPZPD-WDEREUQCSA-N -1 3 304.350 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O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1COc1ccccc1 ZINC000371662830 150078111 /nfs/dbraw/zinc/07/81/11/150078111.db2.gz ALAGPWDLUPTKFK-CYBMUJFWSA-N -1 3 313.353 2.781 20 0 DFADHM CCc1nccn1C[C@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000371863102 150105145 /nfs/dbraw/zinc/10/51/45/150105145.db2.gz LHFWSMHRFVCKNJ-CQSZACIVSA-N -1 3 313.401 2.764 20 0 DFADHM Cc1nc(C)n([C@@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)n1 ZINC000372210524 150150103 /nfs/dbraw/zinc/15/01/03/150150103.db2.gz LIIHCBGOBRYFNU-OAHLLOKOSA-N -1 3 304.369 2.577 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])C1(N2CCOCC2)CCCC1 ZINC000372268515 150155670 /nfs/dbraw/zinc/15/56/70/150155670.db2.gz ZFWIMVUYYNMORY-UHFFFAOYSA-N -1 3 324.808 2.629 20 0 DFADHM CSc1ccc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)c([O-])c1 ZINC000373046267 150221376 /nfs/dbraw/zinc/22/13/76/150221376.db2.gz NBNKEGCHZBUBEY-GFCCVEGCSA-N -1 3 303.387 2.815 20 0 DFADHM CSc1ccc(C(=O)N2CCC[C@@H]2c2noc(C)n2)c([O-])c1 ZINC000373044193 150222023 /nfs/dbraw/zinc/22/20/23/150222023.db2.gz FKAKTOWNMKZBHI-GFCCVEGCSA-N 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/nfs/dbraw/zinc/10/82/56/297108256.db2.gz ANOGCRLXFOGIEF-UHFFFAOYSA-N -1 3 303.362 2.970 20 0 DFADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(-c2ccc[nH]2)cc1 ZINC000351759040 286211902 /nfs/dbraw/zinc/21/19/02/286211902.db2.gz YOEQHEUJQNVRRI-HNNXBMFYSA-N -1 3 320.414 2.993 20 0 DFADHM C[C@@H](CCc1ccco1)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000351803271 286222145 /nfs/dbraw/zinc/22/21/45/286222145.db2.gz NRBHIKDRJHOBIJ-LBPRGKRZSA-N -1 3 310.357 2.816 20 0 DFADHM Cc1cc(C(=O)NC2(c3ccc(Cl)cc3)CC2)[n-]c(=O)n1 ZINC000351846675 286231587 /nfs/dbraw/zinc/23/15/87/286231587.db2.gz UQNKPRDDVNBJRB-UHFFFAOYSA-N -1 3 303.749 2.563 20 0 DFADHM CC(C)N(C)C(=O)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000351996208 286264966 /nfs/dbraw/zinc/26/49/66/286264966.db2.gz NJZYTEPAGOABLE-UHFFFAOYSA-N -1 3 308.397 2.610 20 0 DFADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCCCCO3)c(=O)c2c1 ZINC000352023596 286272306 /nfs/dbraw/zinc/27/23/06/286272306.db2.gz ZFDHGZFRMRFNNH-UHFFFAOYSA-N -1 3 300.358 2.703 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(Cl)cc1 ZINC000352071940 286285377 /nfs/dbraw/zinc/28/53/77/286285377.db2.gz OYWVIPDJGWHGGQ-ZDUSSCGKSA-N -1 3 315.778 2.599 20 0 DFADHM COc1cc(N=c2ncnc3[nH][n-]cc2-3)cc(OC)c1C(C)C ZINC000352094649 286290264 /nfs/dbraw/zinc/29/02/64/286290264.db2.gz FDHHTUJFVKTDPA-UHFFFAOYSA-N -1 3 313.361 2.611 20 0 DFADHM Cc1nc(C)c(CC(=O)N([C@H](C)c2ccco2)C2CC2)c(=O)[n-]1 ZINC000352095753 286290611 /nfs/dbraw/zinc/29/06/11/286290611.db2.gz AJALPKAQAZEDNV-LLVKDONJSA-N -1 3 315.373 2.687 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC(F)(c2ccccc2)CC1 ZINC000352112375 286294938 /nfs/dbraw/zinc/29/49/38/286294938.db2.gz SPQITTQPMAKFPX-UHFFFAOYSA-N -1 3 306.362 2.950 20 0 DFADHM O=c1[n-]c(-c2cn(Cc3ccccc3)nn2)nc2ccccc21 ZINC000352206819 286318846 /nfs/dbraw/zinc/31/88/46/286318846.db2.gz PBQKGKOYCHMAIB-UHFFFAOYSA-N -1 3 303.325 2.642 20 0 DFADHM O=C(N[C@@H]1CCCc2occc21)c1c[n-]nc1-c1ccccn1 ZINC000352233347 286324901 /nfs/dbraw/zinc/32/49/01/286324901.db2.gz BVDWTTUOMHMDBJ-CYBMUJFWSA-N 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315.807 2.800 20 0 DFADHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccccc1C ZINC000073982017 426036819 /nfs/dbraw/zinc/03/68/19/426036819.db2.gz VFJCVAYANNHVDZ-UHFFFAOYSA-N -1 3 313.401 2.681 20 0 DFADHM Cc1nc(CNC(=O)NCc2ccc([O-])c(F)c2)sc1C ZINC000074373358 426047240 /nfs/dbraw/zinc/04/72/40/426047240.db2.gz XSVMAXUEXHQEJP-UHFFFAOYSA-N -1 3 309.366 2.604 20 0 DFADHM CN(C)c1ccc(NC(=O)Cc2ccc([O-])cc2Cl)nc1 ZINC000127038400 426049100 /nfs/dbraw/zinc/04/91/00/426049100.db2.gz ASBDHRDEXOQMCS-UHFFFAOYSA-N -1 3 305.765 2.688 20 0 DFADHM Cc1ccc(C(=O)N2CCO[C@H](c3nccs3)C2)c([O-])c1C ZINC000111620471 426054341 /nfs/dbraw/zinc/05/43/41/426054341.db2.gz QVYQXCDJBIWVIA-ZDUSSCGKSA-N -1 3 318.398 2.679 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000111629246 426055019 /nfs/dbraw/zinc/05/50/19/426055019.db2.gz PPGKYEUMXLFQMW-UKRRQHHQSA-N -1 3 318.417 2.501 20 0 DFADHM CCOc1ccccc1C(F)(F)C(=O)[N-]Cc1cc(C)no1 ZINC000127224986 426056739 /nfs/dbraw/zinc/05/67/39/426056739.db2.gz MSFRBYZUNWLLBL-UHFFFAOYSA-N -1 3 310.300 2.790 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000112011459 426063385 /nfs/dbraw/zinc/06/33/85/426063385.db2.gz VXMSHEXKKKUUDK-GFCCVEGCSA-N -1 3 307.357 2.684 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000112011459 426063389 /nfs/dbraw/zinc/06/33/89/426063389.db2.gz VXMSHEXKKKUUDK-GFCCVEGCSA-N -1 3 307.357 2.684 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)CCCCSC)[n-]c21 ZINC000162447258 426064987 /nfs/dbraw/zinc/06/49/87/426064987.db2.gz VNTXCUWLHHAVCB-UHFFFAOYSA-N -1 3 321.402 2.821 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCCSC)nc21 ZINC000162447258 426064990 /nfs/dbraw/zinc/06/49/90/426064990.db2.gz VNTXCUWLHHAVCB-UHFFFAOYSA-N -1 3 321.402 2.821 20 0 DFADHM CCc1ccccc1NC(=O)C[S@](=O)c1ccc([O-])cc1 ZINC000108085344 426009844 /nfs/dbraw/zinc/00/98/44/426009844.db2.gz KEGUXLTUHOXIFS-OAQYLSRUSA-N -1 3 303.383 2.701 20 0 DFADHM Cc1ccc(NC(=O)C[S@](=O)c2ccc([O-])cc2)cc1C ZINC000108085088 426009875 /nfs/dbraw/zinc/00/98/75/426009875.db2.gz KWLWSRWYPKXXPJ-OAQYLSRUSA-N -1 3 303.383 2.755 20 0 DFADHM O=C(C[S@@](=O)c1ccc([O-])cc1)Nc1ccccc1Cl ZINC000108085093 426010173 /nfs/dbraw/zinc/01/01/73/426010173.db2.gz NZRSTNYTUVKOFP-FQEVSTJZSA-N -1 3 309.774 2.792 20 0 DFADHM C[C@H](C(=O)N(C)c1ccccc1)[S@](=O)c1ccc([O-])cc1 ZINC000108084673 426010229 /nfs/dbraw/zinc/01/02/29/426010229.db2.gz PLSIPYVRTFMRQV-XUSGNXJCSA-N -1 3 303.383 2.551 20 0 DFADHM CCN(C(=O)[C@H](C)[S@@](=O)c1ccc([O-])cc1)c1ccccc1 ZINC000108084696 426010388 /nfs/dbraw/zinc/01/03/88/426010388.db2.gz RXCJCUWAAYNBGN-XMHCIUCPSA-N -1 3 317.410 2.941 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cnc(C(C)(C)C)nc2)c1 ZINC000126420067 426018769 /nfs/dbraw/zinc/01/87/69/426018769.db2.gz CAAMEGZUJLGDJB-UHFFFAOYSA-N -1 3 301.346 2.741 20 0 DFADHM CCOC(=O)CN(Cc1ccccc1)Cc1nc(C)ccc1[O-] ZINC000126433162 426019596 /nfs/dbraw/zinc/01/95/96/426019596.db2.gz JUMHAIHTFCFONV-UHFFFAOYSA-N -1 3 314.385 2.661 20 0 DFADHM COc1cccc(C(=O)NC[C@H]2CCOc3ccccc32)c1[O-] ZINC000108741952 426020818 /nfs/dbraw/zinc/02/08/18/426020818.db2.gz HOVHZZDCKLFVRJ-GFCCVEGCSA-N -1 3 313.353 2.697 20 0 DFADHM CO[N-]C(=O)CCCCOc1ccc(Br)cc1 ZINC000108772727 426022154 /nfs/dbraw/zinc/02/21/54/426022154.db2.gz GUFXMWBWFQGUQO-UHFFFAOYSA-N -1 3 302.168 2.676 20 0 DFADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)CCn3cccn3)c(=O)c2c1 ZINC000163456456 426100680 /nfs/dbraw/zinc/10/06/80/426100680.db2.gz IOBBLWFIOPRSDA-UHFFFAOYSA-N -1 3 324.384 2.526 20 0 DFADHM CC(C)CCS(=O)(=O)[N-][C@H](C)c1noc(-c2ccccc2)n1 ZINC000128226378 426108020 /nfs/dbraw/zinc/10/80/20/426108020.db2.gz XYWVYEUXRYBAGF-GFCCVEGCSA-N -1 3 323.418 2.763 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(C)s2)c1 ZINC000076465864 426111931 /nfs/dbraw/zinc/11/19/31/426111931.db2.gz OSDUHSFOKWZNKC-UHFFFAOYSA-N -1 3 318.398 2.993 20 0 DFADHM Cc1ccc(-n2cc(C(=O)Nc3cccc([O-])c3F)nn2)cc1 ZINC000128306719 426112430 /nfs/dbraw/zinc/11/24/30/426112430.db2.gz AWTGONSAMIBOQY-UHFFFAOYSA-N -1 3 312.304 2.673 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(CN(C)C)c1 ZINC000114054103 426125675 /nfs/dbraw/zinc/12/56/75/426125675.db2.gz IIUVQEKLMUVBFA-UHFFFAOYSA-N -1 3 322.405 2.997 20 0 DFADHM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1 ZINC000128627854 426125721 /nfs/dbraw/zinc/12/57/21/426125721.db2.gz UJCAJIXAAIVVRO-UHFFFAOYSA-N -1 3 312.778 2.935 20 0 DFADHM CSCCC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000128712469 426130209 /nfs/dbraw/zinc/13/02/09/426130209.db2.gz PAJOCHJFKPKQRG-UHFFFAOYSA-N -1 3 313.366 2.737 20 0 DFADHM CC[C@]1(C)CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000075537719 426075700 /nfs/dbraw/zinc/07/57/00/426075700.db2.gz ATCUSASJEVSUCJ-QGZVFWFLSA-N -1 3 315.373 2.614 20 0 DFADHM COc1ccc(Cl)cc1CC(=O)[N-]OCCC(F)(F)F ZINC000162819477 426078624 /nfs/dbraw/zinc/07/86/24/426078624.db2.gz ZUWRPVSLJVATHR-UHFFFAOYSA-N -1 3 311.687 2.891 20 0 DFADHM C[C@H]1CC([N-]S(=O)(=O)c2cccc(Cl)c2F)C[C@H](C)O1 ZINC000162865016 426081704 /nfs/dbraw/zinc/08/17/04/426081704.db2.gz ATPPELVRHGCWPV-IUCAKERBSA-N -1 3 321.801 2.713 20 0 DFADHM C[C@@H]1CC([N-]S(=O)(=O)c2cc(F)ccc2Cl)C[C@@H](C)O1 ZINC000162939387 426083818 /nfs/dbraw/zinc/08/38/18/426083818.db2.gz AAEFDUWTUQTLTH-RKDXNWHRSA-N -1 3 321.801 2.713 20 0 DFADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)C[C@H]3CCCO3)c(=O)c2c1 ZINC000163038114 426086987 /nfs/dbraw/zinc/08/69/87/426086987.db2.gz WANGLRLXRQYSNL-CYBMUJFWSA-N -1 3 314.385 2.808 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3ccccc32)c(F)c1 ZINC000171628547 426201026 /nfs/dbraw/zinc/20/10/26/426201026.db2.gz AKXKKOWBDDYBDS-AWEZNQCLSA-N -1 3 321.373 2.936 20 0 DFADHM C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccccc1[O-] ZINC000135119218 426206695 /nfs/dbraw/zinc/20/66/95/426206695.db2.gz GKZGURIOKSMSEB-HNNXBMFYSA-N -1 3 310.397 2.739 20 0 DFADHM CC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000116978740 426203456 /nfs/dbraw/zinc/20/34/56/426203456.db2.gz ZNCJRFODMGQJHZ-NSHDSACASA-N -1 3 310.781 2.551 20 0 DFADHM Cc1ccc(NC(=O)C[C@H](C)NC(=O)C2CCCC2)c([O-])c1 ZINC000170721928 426146510 /nfs/dbraw/zinc/14/65/10/426146510.db2.gz LACXDHSDBGLBGA-LBPRGKRZSA-N -1 3 304.390 2.724 20 0 DFADHM CC(C)(C)c1cc(NC(=O)c2cnn[n-]2)n(Cc2ccccc2)n1 ZINC000170766383 426148624 /nfs/dbraw/zinc/14/86/24/426148624.db2.gz XKKAIRQUGUEGIS-UHFFFAOYSA-N -1 3 324.388 2.599 20 0 DFADHM CC(C)(C)c1cc(NC(=O)c2c[n-]nn2)n(Cc2ccccc2)n1 ZINC000170766383 426148625 /nfs/dbraw/zinc/14/86/25/426148625.db2.gz XKKAIRQUGUEGIS-UHFFFAOYSA-N -1 3 324.388 2.599 20 0 DFADHM CC(C)(C)c1cc(NC(=O)c2cn[n-]n2)n(Cc2ccccc2)n1 ZINC000170766383 426148627 /nfs/dbraw/zinc/14/86/27/426148627.db2.gz XKKAIRQUGUEGIS-UHFFFAOYSA-N -1 3 324.388 2.599 20 0 DFADHM CN1C(=O)C[C@H](C(=O)Nc2ccccc2[O-])[C@@H]1c1cccs1 ZINC000130259152 426152143 /nfs/dbraw/zinc/15/21/43/426152143.db2.gz ZOEJNLYNHVMFQK-ZUZCIYMTSA-N -1 3 316.382 2.612 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1C ZINC000130453450 426159876 /nfs/dbraw/zinc/15/98/76/426159876.db2.gz COHYCRFMSVZRBG-DYVFJYSZSA-N -1 3 321.442 2.794 20 0 DFADHM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc2n[n-]nc2c1 ZINC000171008270 426164729 /nfs/dbraw/zinc/16/47/29/426164729.db2.gz YVLZMFNNANNXHN-SJORKVTESA-N -1 3 322.368 2.608 20 0 DFADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCCO1)c1cccs1 ZINC000171042451 426165460 /nfs/dbraw/zinc/16/54/60/426165460.db2.gz RQEPHWOHOHVVSL-DZGCQCFKSA-N -1 3 323.439 2.947 20 0 DFADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)c1nc(C2CC2)no1 ZINC000117113192 426205657 /nfs/dbraw/zinc/20/56/57/426205657.db2.gz SQKDWEXQVXHVSU-QMMMGPOBSA-N -1 3 314.374 2.980 20 0 DFADHM CSc1nsc([N-]C(=O)c2cc(C)nc3onc(C)c32)n1 ZINC000078425925 426169764 /nfs/dbraw/zinc/16/97/64/426169764.db2.gz BAWOMZYBUAQTFW-UHFFFAOYSA-N -1 3 321.387 2.665 20 0 DFADHM CC(C)c1nnc(CSc2n[n-]c(-c3ccccn3)n2)o1 ZINC000117113876 426205801 /nfs/dbraw/zinc/20/58/01/426205801.db2.gz DBFJPDZRQHWOKZ-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CN(CCC1CCCCC1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000078521470 426173398 /nfs/dbraw/zinc/17/33/98/426173398.db2.gz OOFCNTHPFZUNHI-UHFFFAOYSA-N -1 3 314.385 2.613 20 0 DFADHM Cc1c([O-])ccc2c(CN3CCS[C@@H](C)C3)cc(=O)oc12 ZINC000171699431 426205825 /nfs/dbraw/zinc/20/58/25/426205825.db2.gz LXESSKMDFWAHKP-JTQLQIEISA-N -1 3 305.399 2.744 20 0 DFADHM CCc1nnc([C@@H](C)Sc2n[n-]c(-c3ccccn3)n2)o1 ZINC000117113286 426205939 /nfs/dbraw/zinc/20/59/39/426205939.db2.gz YUDLKFNMCRWRPX-MRVPVSSYSA-N -1 3 302.363 2.665 20 0 DFADHM CC(C)(C)c1nc(CSc2n[n-]c(-c3ccccn3)n2)no1 ZINC000117114863 426205971 /nfs/dbraw/zinc/20/59/71/426205971.db2.gz VTSUKKJQWDKLOC-UHFFFAOYSA-N -1 3 316.390 2.840 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)c1 ZINC000116056938 426178183 /nfs/dbraw/zinc/17/81/83/426178183.db2.gz KBVLTLDCSMQIRF-KGLIPLIRSA-N -1 3 318.417 2.514 20 0 DFADHM CC[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])CCN1CC(F)F ZINC000133595244 426182479 /nfs/dbraw/zinc/18/24/79/426182479.db2.gz TYUHIXXPIRUURE-GFCCVEGCSA-N -1 3 312.360 2.502 20 0 DFADHM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc2n[n-]nc2c1 ZINC000116222537 426183310 /nfs/dbraw/zinc/18/33/10/426183310.db2.gz ZTDRHELZRYMNEZ-RNCFNFMXSA-N -1 3 314.295 2.522 20 0 DFADHM COc1cccc(C(=O)Nc2cccc(NC(C)=O)c2C)c1[O-] ZINC000078868724 426188024 /nfs/dbraw/zinc/18/80/24/426188024.db2.gz XCYDKIQIWNTWNP-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM CC(C)CCOCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000171423367 426189430 /nfs/dbraw/zinc/18/94/30/426189430.db2.gz CMMHOYAFIVCMJG-UHFFFAOYSA-N -1 3 323.817 2.820 20 0 DFADHM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCN2CCC[C@H]2C1 ZINC000171614474 426200108 /nfs/dbraw/zinc/20/01/08/426200108.db2.gz INUHQWJHXHORFR-VIFPVBQESA-N -1 3 315.200 2.619 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CC2CCC2)sc1Br ZINC000081037943 426218707 /nfs/dbraw/zinc/21/87/07/426218707.db2.gz CYLMFBMPBVCWRA-UHFFFAOYSA-N -1 3 324.265 2.897 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc(-n2ccnc2)c1 ZINC000117785712 426223609 /nfs/dbraw/zinc/22/36/09/426223609.db2.gz KDIITXDQPNWAOJ-UHFFFAOYSA-N -1 3 320.312 2.503 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc(-n2ccnc2)c1 ZINC000117785712 426223611 /nfs/dbraw/zinc/22/36/11/426223611.db2.gz KDIITXDQPNWAOJ-UHFFFAOYSA-N -1 3 320.312 2.503 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(-n2ccnc2)c1 ZINC000117785712 426223614 /nfs/dbraw/zinc/22/36/14/426223614.db2.gz KDIITXDQPNWAOJ-UHFFFAOYSA-N -1 3 320.312 2.503 20 0 DFADHM C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000117785719 426223637 /nfs/dbraw/zinc/22/36/37/426223637.db2.gz FZXNJDFKUXXNBE-TVQRCGJNSA-N -1 3 310.313 2.568 20 0 DFADHM C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000117785719 426223639 /nfs/dbraw/zinc/22/36/39/426223639.db2.gz FZXNJDFKUXXNBE-TVQRCGJNSA-N -1 3 310.313 2.568 20 0 DFADHM C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000117785719 426223641 /nfs/dbraw/zinc/22/36/41/426223641.db2.gz FZXNJDFKUXXNBE-TVQRCGJNSA-N -1 3 310.313 2.568 20 0 DFADHM Cc1cccc(OCCNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000172336097 426225267 /nfs/dbraw/zinc/22/52/67/426225267.db2.gz WYCQCXLMJHXBPD-UHFFFAOYSA-N -1 3 318.348 2.718 20 0 DFADHM Cc1nc2ccccc2n1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000172416778 426225853 /nfs/dbraw/zinc/22/58/53/426225853.db2.gz SSGVLFHQYMQJPP-UHFFFAOYSA-N -1 3 313.332 2.506 20 0 DFADHM O=C([N-]c1nc2c(s1)COCC2)c1c(F)cc(F)cc1F ZINC000172829436 426231705 /nfs/dbraw/zinc/23/17/05/426231705.db2.gz ARFKUNFXVPMWTP-UHFFFAOYSA-N -1 3 314.288 2.885 20 0 DFADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(F)cc2F)sc1C ZINC000173228897 426236637 /nfs/dbraw/zinc/23/66/37/426236637.db2.gz MAMSBKSPYCPVAM-UHFFFAOYSA-N -1 3 318.370 2.517 20 0 DFADHM CC(C)[C@@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCS1 ZINC000173482526 426241892 /nfs/dbraw/zinc/24/18/92/426241892.db2.gz CCFVQLVFESJTPH-HNNXBMFYSA-N -1 3 318.446 2.546 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CCCOCC(C)C)c(F)cc1F ZINC000084656519 426243060 /nfs/dbraw/zinc/24/30/60/426243060.db2.gz DZWSLDHOXPTVEQ-UHFFFAOYSA-N -1 3 321.389 2.614 20 0 DFADHM Cc1cccc(C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000137050857 426250692 /nfs/dbraw/zinc/25/06/92/426250692.db2.gz MWJMNRYNVVVWOS-CYBMUJFWSA-N -1 3 319.401 2.895 20 0 DFADHM Cc1cccc(C(=O)Nc2nc(-c3nccn3C)cs2)c1[O-] ZINC000119123579 426264177 /nfs/dbraw/zinc/26/41/77/426264177.db2.gz XAZWYYOAFHHPCT-UHFFFAOYSA-N -1 3 314.370 2.810 20 0 DFADHM CCC(CC)[C@H]1C[C@H](NC(=O)c2cccc3nn[n-]c32)CCO1 ZINC000119132061 426264804 /nfs/dbraw/zinc/26/48/04/426264804.db2.gz SGJSUOGCCFWBIZ-IUODEOHRSA-N -1 3 316.405 2.672 20 0 DFADHM CCC(CC)[C@H]1C[C@H](NC(=O)c2cccc3[n-]nnc32)CCO1 ZINC000119132061 426264806 /nfs/dbraw/zinc/26/48/06/426264806.db2.gz SGJSUOGCCFWBIZ-IUODEOHRSA-N -1 3 316.405 2.672 20 0 DFADHM CCC(CC)[C@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)CCO1 ZINC000119132061 426264808 /nfs/dbraw/zinc/26/48/08/426264808.db2.gz SGJSUOGCCFWBIZ-IUODEOHRSA-N -1 3 316.405 2.672 20 0 DFADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000119160269 426267138 /nfs/dbraw/zinc/26/71/38/426267138.db2.gz QWSGOMCVVRHVBK-GFCCVEGCSA-N -1 3 323.817 2.555 20 0 DFADHM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1cc(F)ccc1[O-] ZINC000174869934 426267454 /nfs/dbraw/zinc/26/74/54/426267454.db2.gz WULXAYGIPDHICZ-UHFFFAOYSA-N -1 3 312.300 2.554 20 0 DFADHM CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc([O-])c(F)c2)C1(C)C ZINC000174912506 426267795 /nfs/dbraw/zinc/26/77/95/426267795.db2.gz AWBVIERQALGVQW-CABCVRRESA-N -1 3 324.396 2.876 20 0 DFADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000117374584 426213285 /nfs/dbraw/zinc/21/32/85/426213285.db2.gz BNNKKNDYGSNIDY-MNOVXSKESA-N -1 3 321.414 2.917 20 0 DFADHM CCO[C@@H](C)c1nc(CC(=O)Nc2ncccc2[O-])cs1 ZINC000117411569 426215164 /nfs/dbraw/zinc/21/51/64/426215164.db2.gz RKGXWALSLYYSAA-VIFPVBQESA-N -1 3 307.375 2.522 20 0 DFADHM COC(=O)C1(N(C)C(=O)c2cc(C)ccc2[O-])CCCCC1 ZINC000089362815 426288235 /nfs/dbraw/zinc/28/82/35/426288235.db2.gz CDRHIJDKSDVBLI-UHFFFAOYSA-N -1 3 305.374 2.649 20 0 DFADHM CCc1nnc([N-]C(=O)c2sc([C@H](C)OC)nc2C)s1 ZINC000175251215 426291171 /nfs/dbraw/zinc/29/11/71/426291171.db2.gz PGLAFSZYWUCISX-ZETCQYMHSA-N -1 3 312.420 2.825 20 0 DFADHM CC(=O)Nc1ccc(CNCc2cccc([O-])c2Cl)cn1 ZINC000339382872 268802826 /nfs/dbraw/zinc/80/28/26/268802826.db2.gz URIJFQPYDVMZJS-UHFFFAOYSA-N -1 3 305.765 2.689 20 0 DFADHM COc1ccc(C(=O)NC[C@H](c2cccnc2)C(C)C)c([O-])c1 ZINC000175319930 426296831 /nfs/dbraw/zinc/29/68/31/426296831.db2.gz MOIUWDNAXVCBKC-INIZCTEOSA-N -1 3 314.385 2.965 20 0 DFADHM CC[C@](C)([N-]S(=O)(=O)c1cccs1)c1nccs1 ZINC000151473373 426297952 /nfs/dbraw/zinc/29/79/52/426297952.db2.gz WYOMQHLVVCZJCQ-NSHDSACASA-N -1 3 302.446 2.808 20 0 DFADHM COC(=O)c1ccc(CN(C)C(=O)c2cccc(C)c2[O-])cc1 ZINC000119745241 426302751 /nfs/dbraw/zinc/30/27/51/426302751.db2.gz JMFPKSOCPPEBBN-UHFFFAOYSA-N -1 3 313.353 2.759 20 0 DFADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000339448176 268816682 /nfs/dbraw/zinc/81/66/82/268816682.db2.gz HXXBESNMUXZYMC-ZDUSSCGKSA-N -1 3 323.817 2.555 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC000175462002 426307213 /nfs/dbraw/zinc/30/72/13/426307213.db2.gz NJCAMSCOGUYWOY-LRDDRELGSA-N -1 3 307.390 2.582 20 0 DFADHM O=C(NCCNC(=O)C1CCCCCCC1)c1ccc([O-])cc1 ZINC000175486105 426307857 /nfs/dbraw/zinc/30/78/57/426307857.db2.gz IONPOWZXXVXKQP-UHFFFAOYSA-N -1 3 318.417 2.599 20 0 DFADHM CCCCCC[C@H](C)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000175486794 426308098 /nfs/dbraw/zinc/30/80/98/426308098.db2.gz RAEGJBSEJCMAFS-AWEZNQCLSA-N -1 3 320.433 2.845 20 0 DFADHM CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1[O-] ZINC000151723818 426309851 /nfs/dbraw/zinc/30/98/51/426309851.db2.gz VPZOWVWRLFYOIQ-JTQLQIEISA-N -1 3 312.341 2.773 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)c1cnc([C@H]2CCCO2)s1 ZINC000089831190 426311797 /nfs/dbraw/zinc/31/17/97/426311797.db2.gz UEZYBDWOOLVOOM-GFCCVEGCSA-N -1 3 322.361 2.769 20 0 DFADHM O=C(CSCC(=O)c1ccccc1)Nc1ccccc1[O-] ZINC000121000014 426319657 /nfs/dbraw/zinc/31/96/57/426319657.db2.gz AIMBDCRFYMFNFQ-UHFFFAOYSA-N -1 3 301.367 2.947 20 0 DFADHM Cc1ccc2c(c1)N(C(=O)c1ccc3n[n-]nc3c1)C[C@@H](C)O2 ZINC000175772574 426327385 /nfs/dbraw/zinc/32/73/85/426327385.db2.gz QXIVEKUOEGGLCD-LLVKDONJSA-N -1 3 308.341 2.694 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(Cc2ccccc2)CC1 ZINC000175775985 426327547 /nfs/dbraw/zinc/32/75/47/426327547.db2.gz FAPYFDGBWBPTNA-UHFFFAOYSA-N -1 3 310.279 2.785 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(Cc2ccccc2)CC1 ZINC000175775985 426327551 /nfs/dbraw/zinc/32/75/51/426327551.db2.gz FAPYFDGBWBPTNA-UHFFFAOYSA-N -1 3 310.279 2.785 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)c1[O-] ZINC000175837282 426331870 /nfs/dbraw/zinc/33/18/70/426331870.db2.gz FNEGVYYDTODSOL-CQSZACIVSA-N -1 3 324.808 2.940 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CCc2ccco2)c(Cl)cc1F ZINC000119306905 426277297 /nfs/dbraw/zinc/27/72/97/426277297.db2.gz BULPFVXEACYKTH-UHFFFAOYSA-N -1 3 317.769 2.902 20 0 DFADHM C[C@@H](CC(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccccc1 ZINC000119352873 426281801 /nfs/dbraw/zinc/28/18/01/426281801.db2.gz AQTZHZXATYSFKL-LBPRGKRZSA-N -1 3 309.373 2.943 20 0 DFADHM C[C@@H](CC(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccccc1 ZINC000119352873 426281804 /nfs/dbraw/zinc/28/18/04/426281804.db2.gz AQTZHZXATYSFKL-LBPRGKRZSA-N -1 3 309.373 2.943 20 0 DFADHM COc1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000119394233 426285711 /nfs/dbraw/zinc/28/57/11/426285711.db2.gz FHMKRRBZXIHFCH-KGLIPLIRSA-N -1 3 313.353 2.695 20 0 DFADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccs1 ZINC000152379118 426341642 /nfs/dbraw/zinc/34/16/42/426341642.db2.gz DPQYNMXEPIRJQR-SECBINFHSA-N -1 3 315.441 2.749 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C[S@](C)=O)c2ccccc2)c([O-])c1 ZINC000091681744 426342736 /nfs/dbraw/zinc/34/27/36/426342736.db2.gz ZEZFRDCFFGRCES-IVZQSRNASA-N -1 3 317.410 2.550 20 0 DFADHM O=C(c1ccccc1[O-])N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091761535 426342741 /nfs/dbraw/zinc/34/27/41/426342741.db2.gz OIKBWFJXJMEQMY-NHYWBVRUSA-N -1 3 319.307 2.619 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@@H]1Cc2ccccc2O1 ZINC000175971688 426343374 /nfs/dbraw/zinc/34/33/74/426343374.db2.gz HHLGGBMGWDHXJR-AWEZNQCLSA-N -1 3 324.315 2.553 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3cc(F)ccc3C2)on1 ZINC000091893043 426343927 /nfs/dbraw/zinc/34/39/27/426343927.db2.gz AULBGCQGFHQSIS-LLVKDONJSA-N -1 3 303.337 2.507 20 0 DFADHM CO[C@@H]1CCCN(Cc2cc([O-])ccc2Br)C1 ZINC000091772743 426345073 /nfs/dbraw/zinc/34/50/73/426345073.db2.gz ZNDBOIMQDHFPMO-GFCCVEGCSA-N -1 3 300.196 2.766 20 0 DFADHM O=C(Nc1ccc(N2CCCCC2)cn1)c1c([O-])cccc1O ZINC000092108465 426346382 /nfs/dbraw/zinc/34/63/82/426346382.db2.gz CPYKMPBXIFAOSE-UHFFFAOYSA-N -1 3 313.357 2.735 20 0 DFADHM CCCOCc1ccccc1CNC(=O)c1c([O-])cccc1O ZINC000092117889 426346744 /nfs/dbraw/zinc/34/67/44/426346744.db2.gz SZNBLFQCJLBMDM-UHFFFAOYSA-N -1 3 315.369 2.954 20 0 DFADHM CN(CCCOc1ccc(F)cc1)C(=O)c1c([O-])cccc1O ZINC000092108250 426346765 /nfs/dbraw/zinc/34/67/65/426346765.db2.gz DPNZVHFBGLUYEN-UHFFFAOYSA-N -1 3 319.332 2.778 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000092759407 426350722 /nfs/dbraw/zinc/35/07/22/426350722.db2.gz CUVUYMCQVXGYHN-KBXCAEBGSA-N -1 3 303.402 2.722 20 0 DFADHM COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(C)c1[O-] ZINC000121733189 426352641 /nfs/dbraw/zinc/35/26/41/426352641.db2.gz LBKUDIKTPNWUSK-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cccc(C)c1 ZINC000093317015 426353951 /nfs/dbraw/zinc/35/39/51/426353951.db2.gz PTOJZTQXCIZJKR-UHFFFAOYSA-N -1 3 316.357 2.903 20 0 DFADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1nc[nH]n1 ZINC000176219212 426360971 /nfs/dbraw/zinc/36/09/71/426360971.db2.gz UVEKUNYBOQGILG-NSHDSACASA-N -1 3 324.340 2.794 20 0 DFADHM CCOc1cc(C[N-]C(=O)C(F)(F)C(F)F)ccc1OC ZINC000176701974 426406142 /nfs/dbraw/zinc/40/61/42/426406142.db2.gz RZOQWIRKPOEISW-UHFFFAOYSA-N -1 3 309.259 2.611 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccccn1 ZINC000340076719 268937072 /nfs/dbraw/zinc/93/70/72/268937072.db2.gz DRYZPIADBITMPT-HZPDHXFCSA-N -1 3 316.426 2.771 20 0 DFADHM CC(C)CO[N-]C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000153480920 426387017 /nfs/dbraw/zinc/38/70/17/426387017.db2.gz JTLYIGDYLXKYKJ-AWEZNQCLSA-N -1 3 319.405 2.634 20 0 DFADHM CCc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000153539290 426391036 /nfs/dbraw/zinc/39/10/36/426391036.db2.gz WVOIBYDEZZWRDE-UHFFFAOYSA-N -1 3 307.357 2.610 20 0 DFADHM CCc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000153539290 426391038 /nfs/dbraw/zinc/39/10/38/426391038.db2.gz WVOIBYDEZZWRDE-UHFFFAOYSA-N -1 3 307.357 2.610 20 0 DFADHM CC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccncc1 ZINC000122752309 426391944 /nfs/dbraw/zinc/39/19/44/426391944.db2.gz QMOFNAUOZIUZNU-OAHLLOKOSA-N -1 3 313.357 2.627 20 0 DFADHM CC1(C)[C@H](NC(=O)Cc2ccc([O-])cc2Cl)[C@H]2CCO[C@@H]21 ZINC000153590231 426393823 /nfs/dbraw/zinc/39/38/23/426393823.db2.gz WSNWGPVGLRAZJJ-DFBGVHRSSA-N -1 3 309.793 2.518 20 0 DFADHM COc1cc(C(=O)NCC2(CC(C)C)CC2)cc(OC)c1[O-] ZINC000153813348 426407534 /nfs/dbraw/zinc/40/75/34/426407534.db2.gz DHSNOKRMNSRBBZ-UHFFFAOYSA-N -1 3 307.390 2.966 20 0 DFADHM C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000153908386 426413179 /nfs/dbraw/zinc/41/31/79/426413179.db2.gz VISGBFWSXBJFLZ-RNCFNFMXSA-N -1 3 314.788 2.597 20 0 DFADHM NC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000340299352 268962891 /nfs/dbraw/zinc/96/28/91/268962891.db2.gz DLESYZKPPTVWQB-UHFFFAOYSA-N -1 3 305.721 2.789 20 0 DFADHM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(-n2ccnc2)c1 ZINC000176964637 426428383 /nfs/dbraw/zinc/42/83/83/426428383.db2.gz OMDLQFVSQDYAEY-SECBINFHSA-N -1 3 315.270 2.950 20 0 DFADHM Cc1cccc(C(=O)Nc2ccn(CCc3ccncc3)n2)c1[O-] ZINC000123405921 426432229 /nfs/dbraw/zinc/43/22/29/426432229.db2.gz NOUNDQFVXZUGJK-UHFFFAOYSA-N -1 3 322.368 2.787 20 0 DFADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1F)c1cccnc1 ZINC000177020701 426434944 /nfs/dbraw/zinc/43/49/44/426434944.db2.gz QVJWVQKHCHKDFO-CQSZACIVSA-N -1 3 322.405 2.939 20 0 DFADHM COCCS(=O)(=O)[N-]c1ccc(Oc2ccc(C)cc2)nc1 ZINC000154337044 426436781 /nfs/dbraw/zinc/43/67/81/426436781.db2.gz KANITIQEZHMAOJ-UHFFFAOYSA-N -1 3 322.386 2.570 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)c1 ZINC000340777163 269011698 /nfs/dbraw/zinc/01/16/98/269011698.db2.gz ZKJZDVGKSWXDKV-UHFFFAOYSA-N -1 3 321.736 2.635 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]CC2(CC(C)C)CC2)s1 ZINC000340889516 269027576 /nfs/dbraw/zinc/02/75/76/269027576.db2.gz ULYIZLOZFOTBCP-UHFFFAOYSA-N -1 3 302.465 2.865 20 0 DFADHM Cc1nc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cs1 ZINC000340980416 269031872 /nfs/dbraw/zinc/03/18/72/269031872.db2.gz QIOAPGDHJZQBON-SECBINFHSA-N -1 3 313.382 2.784 20 0 DFADHM CCCS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000340992439 269034552 /nfs/dbraw/zinc/03/45/52/269034552.db2.gz QUAILLTWYKSCNZ-LLVKDONJSA-N -1 3 323.418 2.689 20 0 DFADHM CCc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2)ccc1[O-] ZINC000341445032 269077974 /nfs/dbraw/zinc/07/79/74/269077974.db2.gz BFOFVJXAZQPFAI-UHFFFAOYSA-N -1 3 312.369 2.909 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000154749066 426453426 /nfs/dbraw/zinc/45/34/26/426453426.db2.gz OZZWIEKIGGEHCE-XOKHGSTOSA-N -1 3 312.344 2.669 20 0 DFADHM COc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000123904170 426459902 /nfs/dbraw/zinc/45/99/02/426459902.db2.gz BVUFDRVKOLRQDH-UHFFFAOYSA-N -1 3 323.345 2.838 20 0 DFADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000177284059 426463412 /nfs/dbraw/zinc/46/34/12/426463412.db2.gz AUMJSEADSAMSDJ-YGRLFVJLSA-N -1 3 314.382 2.572 20 0 DFADHM COc1ccc2c(c1)C=C(C(=O)Nc1ccc([O-])cc1F)CO2 ZINC000124391267 426482227 /nfs/dbraw/zinc/48/22/27/426482227.db2.gz NJYRTTDTMDKGEA-UHFFFAOYSA-N -1 3 315.300 2.954 20 0 DFADHM CCCCS(=O)(=O)[N-][C@@H](COCC(C)C)c1ccco1 ZINC000101576834 426485075 /nfs/dbraw/zinc/48/50/75/426485075.db2.gz IOKQYYYLUIHEDS-ZDUSSCGKSA-N -1 3 303.424 2.713 20 0 DFADHM O=S(=O)([N-]C1(Cc2ccccc2)CC1)c1ccccc1F ZINC000186343255 426509243 /nfs/dbraw/zinc/50/92/43/426509243.db2.gz JODFRUJYLSIWKJ-UHFFFAOYSA-N -1 3 305.374 2.879 20 0 DFADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)CC2CCCC2)o1 ZINC000177748985 426514562 /nfs/dbraw/zinc/51/45/62/426514562.db2.gz HNDSWFLMRCEXIB-AWEZNQCLSA-N 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O=C(c1ccc([O-])cc1)N1CCN([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000274553475 426791041 /nfs/dbraw/zinc/79/10/41/426791041.db2.gz YABZMPOVBCJQGI-RBUKOAKNSA-N -1 3 322.408 2.706 20 0 DFADHM O=C(CNC(=O)c1cccc([O-])c1)NCCCC1CCCCC1 ZINC000274560472 426791146 /nfs/dbraw/zinc/79/11/46/426791146.db2.gz CTOFAWIJQJXJJY-UHFFFAOYSA-N -1 3 318.417 2.599 20 0 DFADHM CC(=O)Nc1ccc(C)cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000179476616 426792998 /nfs/dbraw/zinc/79/29/98/426792998.db2.gz RAIJGMAIILTKMV-GQCTYLIASA-N -1 3 311.341 2.706 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NC1(c2nccs2)CCCC1 ZINC000179503183 426795847 /nfs/dbraw/zinc/79/58/47/426795847.db2.gz HFSMEXYKJBKELE-ONEGZZNKSA-N -1 3 315.398 2.843 20 0 DFADHM Cc1ccc(C[C@H](C)NC(=O)/C=C/c2cncc([O-])c2)s1 ZINC000179509973 426796397 /nfs/dbraw/zinc/79/63/97/426796397.db2.gz QLIXSPUUHRLTEU-MALLOTDXSA-N -1 3 302.399 2.918 20 0 DFADHM CC(C)(NC(=O)/C=C/c1cncc([O-])c1)c1cccc(F)c1 ZINC000179508880 426796503 /nfs/dbraw/zinc/79/65/03/426796503.db2.gz 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CC1(C)[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000377929076 428264626 /nfs/dbraw/zinc/26/46/26/428264626.db2.gz UNNSQVFGJWLLQX-GDLCADMTSA-N -1 3 309.793 2.979 20 0 DFADHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000341984270 428268759 /nfs/dbraw/zinc/26/87/59/428268759.db2.gz YJYSSYVEQGUULA-UHFFFAOYSA-N -1 3 323.817 2.820 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CCOc3c(C)cccc32)ccc1[O-] ZINC000356693560 428275685 /nfs/dbraw/zinc/27/56/85/428275685.db2.gz FURMWZAEFXWASC-CQSZACIVSA-N -1 3 313.353 2.963 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCO[C@H]2CCC[C@@H]21 ZINC000370693528 428275915 /nfs/dbraw/zinc/27/59/15/428275915.db2.gz CBLIVYJGQQZUHR-GJZGRUSLSA-N -1 3 309.793 2.758 20 0 DFADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(C)c(-c2ncco2)c1 ZINC000414376391 428277083 /nfs/dbraw/zinc/27/70/83/428277083.db2.gz UJEIXSRBIBANEO-UHFFFAOYSA-N -1 3 324.402 2.817 20 0 DFADHM CCSCc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000356721776 428283284 /nfs/dbraw/zinc/28/32/84/428283284.db2.gz 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Cc1ccc(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)c(F)c1 ZINC000360541679 428341221 /nfs/dbraw/zinc/34/12/21/428341221.db2.gz WQAKOZINXVTHLC-LBPRGKRZSA-N -1 3 317.426 2.600 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C2CCCCC2)cn1C ZINC000360441673 428299639 /nfs/dbraw/zinc/29/96/39/428299639.db2.gz HJTRJJBKPHSPRJ-NEPJUHHUSA-N -1 3 313.467 2.612 20 0 DFADHM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000414451502 428302575 /nfs/dbraw/zinc/30/25/75/428302575.db2.gz JYRCBMIYJPSYCY-UHFFFAOYSA-N -1 3 319.430 2.561 20 0 DFADHM CCSc1nnc([N-]C(=O)c2cnc3onc(C)c3c2)s1 ZINC000342324884 428404866 /nfs/dbraw/zinc/40/48/66/428404866.db2.gz FCUHHLLDJWDKAU-UHFFFAOYSA-N -1 3 321.387 2.747 20 0 DFADHM CCc1cc2c(CN3CCOC[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC000371100591 428360003 /nfs/dbraw/zinc/36/00/03/428360003.db2.gz PGUMCOSWJYTUFQ-LBPRGKRZSA-N -1 3 317.385 2.529 20 0 DFADHM O=C([O-])c1cccc(CN2CCC(Oc3ccccn3)CC2)c1 ZINC000414638885 428363837 /nfs/dbraw/zinc/36/38/37/428363837.db2.gz OXOCRGDKBKWQRA-UHFFFAOYSA-N 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ZINC000360835773 428456068 /nfs/dbraw/zinc/45/60/68/428456068.db2.gz UNRWDZMXEBANOV-UHFFFAOYSA-N -1 3 317.716 2.579 20 0 DFADHM C[C@H](CCC(C)(C)C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000360839611 428459462 /nfs/dbraw/zinc/45/94/62/428459462.db2.gz IPQXIGLKCNCWEP-MRVPVSSYSA-N -1 3 306.332 2.902 20 0 DFADHM C[C@H](CCC(C)(C)C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000360839611 428459467 /nfs/dbraw/zinc/45/94/67/428459467.db2.gz IPQXIGLKCNCWEP-MRVPVSSYSA-N -1 3 306.332 2.902 20 0 DFADHM C[C@H](CCC(C)(C)C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000360839611 428459472 /nfs/dbraw/zinc/45/94/72/428459472.db2.gz IPQXIGLKCNCWEP-MRVPVSSYSA-N -1 3 306.332 2.902 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCC(F)(F)F)c(Cl)c1 ZINC000360847563 428463294 /nfs/dbraw/zinc/46/32/94/428463294.db2.gz STGYTGZHTNEUGU-UHFFFAOYSA-N -1 3 301.717 2.879 20 0 DFADHM CCc1noc2ncc(C(=O)Nc3ccc([O-])cc3F)cc12 ZINC000360857983 428467873 /nfs/dbraw/zinc/46/78/73/428467873.db2.gz IYBBSNICAXSEMG-UHFFFAOYSA-N -1 3 301.277 2.882 20 0 DFADHM CCOc1cc(NC(=O)NCc2ncccc2[O-])ccc1C ZINC000347150803 428468563 /nfs/dbraw/zinc/46/85/63/428468563.db2.gz GNYRYGDCNCLKQA-UHFFFAOYSA-N -1 3 301.346 2.816 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC(c2nccs2)CC1 ZINC000378544041 428425226 /nfs/dbraw/zinc/42/52/26/428425226.db2.gz YBVWXZNIKZNUAK-OWOJBTEDSA-N -1 3 315.398 2.663 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCC(Cc2cccnc2)CC1 ZINC000378558200 428426547 /nfs/dbraw/zinc/42/65/47/428426547.db2.gz GOVOGENUVLZHEV-UHFFFAOYSA-N -1 3 312.369 2.588 20 0 DFADHM Cc1cccc(C)c1C=C([O-])Nc1nc(-c2cccnc2)ns1 ZINC000347057098 428429718 /nfs/dbraw/zinc/42/97/18/428429718.db2.gz QANDPPYFRLOBJK-UHFFFAOYSA-N -1 3 324.409 2.820 20 0 DFADHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000357334964 428488743 /nfs/dbraw/zinc/48/87/43/428488743.db2.gz IYKIUUKPJGNUFD-MFKMUULPSA-N -1 3 311.341 2.634 20 0 DFADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000357339731 428490579 /nfs/dbraw/zinc/49/05/79/428490579.db2.gz BVUDIJYSZNUHOB-UHFFFAOYSA-N -1 3 315.316 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/nfs/dbraw/zinc/16/65/23/429166523.db2.gz MMOSGGISXWNGIK-FARCUNLSSA-N -1 3 314.297 2.584 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cccc3ccsc32)n[n-]1 ZINC000364261640 429174617 /nfs/dbraw/zinc/17/46/17/429174617.db2.gz MJSZAOTUBANBIP-UHFFFAOYSA-N -1 3 323.381 3.277 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cccc3ccsc32)[n-]n1 ZINC000364261640 429174621 /nfs/dbraw/zinc/17/46/21/429174621.db2.gz MJSZAOTUBANBIP-UHFFFAOYSA-N -1 3 323.381 3.277 20 0 DFADHM Cc1nc(-c2cnn(C)c2)oc1C(=O)[N-]c1c(F)cccc1F ZINC000364380819 429193820 /nfs/dbraw/zinc/19/38/20/429193820.db2.gz FPQCGLYUKUFZQE-UHFFFAOYSA-N -1 3 318.283 2.914 20 0 DFADHM O=C(N[C@H]1CCCC(F)(F)C1)c1c[n-]c2ccccc2c1=O ZINC000488963172 429209927 /nfs/dbraw/zinc/20/99/27/429209927.db2.gz FFSLMJNEDJDKOK-JTQLQIEISA-N -1 3 306.312 2.836 20 0 DFADHM CCOc1ccc([C@@H]2CCCN2Cc2n[n-]c(=O)s2)cc1 ZINC000364488289 429212597 /nfs/dbraw/zinc/21/25/97/429212597.db2.gz AWWZWUKEUUEJFW-ZDUSSCGKSA-N -1 3 305.403 2.980 20 0 DFADHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000364517077 429216780 /nfs/dbraw/zinc/21/67/80/429216780.db2.gz RMEKYAVKIBFTOY-UHFFFAOYSA-N -1 3 319.368 2.845 20 0 DFADHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000364517077 429216783 /nfs/dbraw/zinc/21/67/83/429216783.db2.gz RMEKYAVKIBFTOY-UHFFFAOYSA-N -1 3 319.368 2.845 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCc3nccn3C2)c1[O-] ZINC000364399584 429196939 /nfs/dbraw/zinc/19/69/39/429196939.db2.gz ZVNGRZBIJUJOEY-SNVBAGLBSA-N -1 3 305.765 2.752 20 0 DFADHM CC(C)[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CCN1C ZINC000489347306 429232000 /nfs/dbraw/zinc/23/20/00/429232000.db2.gz AKVDLAZEGSVKMN-INIZCTEOSA-N -1 3 322.424 2.653 20 0 DFADHM CNc1nc(C)cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])n1 ZINC000436638458 429201465 /nfs/dbraw/zinc/20/14/65/429201465.db2.gz DZDKXOQEAALJOA-UHFFFAOYSA-N -1 3 314.389 3.082 20 0 DFADHM CC[C@H](C)n1nc(NC(=O)c2cc(OC)ccc2[O-])cc1C ZINC000436681761 429202051 /nfs/dbraw/zinc/20/20/51/429202051.db2.gz OIFSJZXOZIJRPG-JTQLQIEISA-N -1 3 303.362 3.129 20 0 DFADHM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1c([O-])cccc1O ZINC000436650133 429202342 /nfs/dbraw/zinc/20/23/42/429202342.db2.gz UYPMNPVYIIWGRG-UHFFFAOYSA-N -1 3 301.346 3.121 20 0 DFADHM CCOC(=O)N(C)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000495388061 429204311 /nfs/dbraw/zinc/20/43/11/429204311.db2.gz OZKGIJCUKCIZQA-UHFFFAOYSA-N -1 3 310.369 2.584 20 0 DFADHM CC(C)(C)CCO[N-]C(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000495640088 429236960 /nfs/dbraw/zinc/23/69/60/429236960.db2.gz QKYGPLXOPWCPIK-UHFFFAOYSA-N -1 3 314.426 2.727 20 0 DFADHM CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])N(C)C ZINC000442811274 429237044 /nfs/dbraw/zinc/23/70/44/429237044.db2.gz OZFDGLQPOZLXHG-JTQLQIEISA-N -1 3 306.284 2.570 20 0 DFADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000443038168 429244579 /nfs/dbraw/zinc/24/45/79/429244579.db2.gz DLHSRJLOTDEGJL-ZETCQYMHSA-N -1 3 324.299 2.926 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)NC(C)(C)C2CCC2)c([O-])c1 ZINC000456137861 429247711 /nfs/dbraw/zinc/24/77/11/429247711.db2.gz 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ZINC000495848854 429278469 /nfs/dbraw/zinc/27/84/69/429278469.db2.gz HCRXOKYGVCRUOQ-GORDUTHDSA-N -1 3 317.704 2.810 20 0 DFADHM CCOC(=O)N(C)c1ccc(NC([O-])=NOC2CCC2)cc1 ZINC000497235594 429320833 /nfs/dbraw/zinc/32/08/33/429320833.db2.gz GXJISGRLEICHFE-UHFFFAOYSA-N -1 3 307.350 2.885 20 0 DFADHM CCOC(=O)N(C)c1ccc(NC(=O)[N-]OC2CCC2)cc1 ZINC000497235594 429320838 /nfs/dbraw/zinc/32/08/38/429320838.db2.gz GXJISGRLEICHFE-UHFFFAOYSA-N -1 3 307.350 2.885 20 0 DFADHM COc1cc(C(=O)N2CCCC23CCCC3)cc(OC)c1[O-] ZINC000365538763 429336449 /nfs/dbraw/zinc/33/64/49/429336449.db2.gz OAENKVYGTVPJPK-UHFFFAOYSA-N -1 3 305.374 2.958 20 0 DFADHM C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2[O-])CCCC3)c2nccn21 ZINC000456397787 429297774 /nfs/dbraw/zinc/29/77/74/429297774.db2.gz CDBWYUGXEVQYDG-XHDPSFHLSA-N -1 3 311.385 2.903 20 0 DFADHM C[C@@H]1CC[S@@](=O)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000365316577 429300959 /nfs/dbraw/zinc/30/09/59/429300959.db2.gz QRIWYMYHPAQOPX-VERVWZFWSA-N -1 3 317.410 2.529 20 0 DFADHM CC(C)c1ncsc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000456430152 429304271 /nfs/dbraw/zinc/30/42/71/429304271.db2.gz BESRXTMZIGMTFH-UHFFFAOYSA-N -1 3 317.374 2.506 20 0 DFADHM O=C([O-])[C@H](Cc1ccc(O)cc1)NCc1ccccc1Cl ZINC000426665695 429408166 /nfs/dbraw/zinc/40/81/66/429408166.db2.gz XZZSURURSGVIKW-HNNXBMFYSA-N -1 3 305.761 2.831 20 0 DFADHM CN(Cc1cn2c(n1)CCCC2)C(=O)c1cc([O-])ccc1Cl ZINC000507386961 429348807 /nfs/dbraw/zinc/34/88/07/429348807.db2.gz RBJOAYYNRALUQQ-UHFFFAOYSA-N -1 3 319.792 2.851 20 0 DFADHM COc1ccc(/C=C\C(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000491367006 429352886 /nfs/dbraw/zinc/35/28/86/429352886.db2.gz NDFKOFIVYXPKJY-LYASGUKUSA-N -1 3 311.765 2.936 20 0 DFADHM CCOc1ccc(/C=C\C(=O)[N-]O[C@@H]2CCCCO2)cc1OC ZINC000491398270 429355933 /nfs/dbraw/zinc/35/59/33/429355933.db2.gz BCKSHPIEXKLKHY-SECOEOQKSA-N -1 3 321.373 2.682 20 0 DFADHM COC(=O)C12CCC(C(=O)[N-]O[C@H](C)c3ccccc3)(CC1)C2 ZINC000365705966 429361448 /nfs/dbraw/zinc/36/14/48/429361448.db2.gz WSHLDBSHXFAIIV-NLNFPOJYSA-N -1 3 317.385 2.919 20 0 DFADHM Cc1ncc(CNCc2ccccc2OCC(C)C)c(=O)[n-]1 ZINC000449235160 429363036 /nfs/dbraw/zinc/36/30/36/429363036.db2.gz TWVGAMCHGYVEPM-UHFFFAOYSA-N -1 3 301.390 2.815 20 0 DFADHM Cc1ncc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c(=O)[n-]1 ZINC000449231234 429364093 /nfs/dbraw/zinc/36/40/93/429364093.db2.gz CRXUOTXWIYFECI-NSHDSACASA-N -1 3 309.291 2.685 20 0 DFADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccccc1 ZINC000365779306 429371167 /nfs/dbraw/zinc/37/11/67/429371167.db2.gz CBJFNOZWIAPROP-UHFFFAOYSA-N -1 3 312.760 2.810 20 0 DFADHM Cc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)co1 ZINC000365791950 429373213 /nfs/dbraw/zinc/37/32/13/429373213.db2.gz DKLLNGMZEHRKKP-UHFFFAOYSA-N -1 3 316.748 2.711 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c(=O)[n-]1 ZINC000457019821 429380274 /nfs/dbraw/zinc/38/02/74/429380274.db2.gz WZYHHKDZFRUEOJ-SUNKGSAMSA-N -1 3 305.422 2.673 20 0 DFADHM CSc1ccc(C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)c([O-])c1 ZINC000366252667 429441639 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COc1c(CNC(=O)/C=C\c2cncc([O-])c2)oc2ccccc21 ZINC000492040575 429456678 /nfs/dbraw/zinc/45/66/78/429456678.db2.gz LBBZUNDLWIBMLZ-SREVYHEPSA-N -1 3 324.336 2.872 20 0 DFADHM Cc1cccc(C(=O)N2CC(C)(C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000366471127 429458735 /nfs/dbraw/zinc/45/87/35/429458735.db2.gz VOTUIGOEEOKGRZ-SFHVURJKSA-N -1 3 319.401 2.501 20 0 DFADHM O=C(/C=C/c1ccccc1OC(F)F)[N-]OCC(F)(F)F ZINC000492119759 429471278 /nfs/dbraw/zinc/47/12/78/429471278.db2.gz RAOCXPMUGHEISY-AATRIKPKSA-N -1 3 311.206 2.911 20 0 DFADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2C)cn1 ZINC000426765276 429413121 /nfs/dbraw/zinc/41/31/21/429413121.db2.gz LURALTXDBBAXKV-HNNXBMFYSA-N -1 3 300.358 2.704 20 0 DFADHM CCN(CC)c1ncc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)s1 ZINC000518376104 429420046 /nfs/dbraw/zinc/42/00/46/429420046.db2.gz YXTHBJDGLBGXGF-YPMHNXCESA-N -1 3 311.451 2.532 20 0 DFADHM COc1cc(F)c(F)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000426834037 429420033 /nfs/dbraw/zinc/42/00/33/429420033.db2.gz 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ZINC000431519848 429767623 /nfs/dbraw/zinc/76/76/23/429767623.db2.gz PBWSMXOIGYABSY-UHFFFAOYSA-N -1 3 307.288 2.898 20 0 DFADHM CCSCc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000451105535 429769518 /nfs/dbraw/zinc/76/95/18/429769518.db2.gz JQYHXPNPDKIVIB-AWEZNQCLSA-N -1 3 315.460 2.860 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cn1 ZINC000431640272 429773347 /nfs/dbraw/zinc/77/33/47/429773347.db2.gz PNCXOGRYXRMREA-CYBMUJFWSA-N -1 3 312.341 2.675 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@@H](c2ccncc2)C1 ZINC000493496496 429774353 /nfs/dbraw/zinc/77/43/53/429774353.db2.gz WOSACLCPFLETQS-MJSXRHKHSA-N -1 3 309.369 2.602 20 0 DFADHM O=C(NCc1ccc(Cl)cc1)c1cc(F)cc2nn[n-]c21 ZINC000431649811 429774603 /nfs/dbraw/zinc/77/46/03/429774603.db2.gz AGDCTTHJLQKCNU-UHFFFAOYSA-N -1 3 304.712 2.680 20 0 DFADHM O=C(NCc1ccc(Cl)cc1)c1cc(F)cc2[n-]nnc21 ZINC000431649811 429774607 /nfs/dbraw/zinc/77/46/07/429774607.db2.gz AGDCTTHJLQKCNU-UHFFFAOYSA-N -1 3 304.712 2.680 20 0 DFADHM O=C(NCc1ccc(Cl)cc1)c1cc(F)cc2n[n-]nc21 ZINC000431649811 429774609 /nfs/dbraw/zinc/77/46/09/429774609.db2.gz AGDCTTHJLQKCNU-UHFFFAOYSA-N -1 3 304.712 2.680 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000493493970 429774657 /nfs/dbraw/zinc/77/46/57/429774657.db2.gz NFLMXGGGMSWATG-AAOUONPWSA-N -1 3 314.307 2.991 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC(Cc2cccnc2)CC1 ZINC000368061960 429777398 /nfs/dbraw/zinc/77/73/98/429777398.db2.gz OQEOIDWGUWLKCA-ONEGZZNKSA-N -1 3 323.396 2.677 20 0 DFADHM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)[nH]1 ZINC000451159960 429777889 /nfs/dbraw/zinc/77/78/89/429777889.db2.gz FEALMSSAEIOZBG-NXEZZACHSA-N -1 3 320.368 2.583 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)c1 ZINC000451177687 429780488 /nfs/dbraw/zinc/78/04/88/429780488.db2.gz IZNOZRJCOOQVRR-LBPRGKRZSA-N -1 3 323.439 2.901 20 0 DFADHM Cc1cc([C@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)c(C)o1 ZINC000431763161 429781589 /nfs/dbraw/zinc/78/15/89/429781589.db2.gz ABUFFECDMMCXMH-QMMMGPOBSA-N -1 3 302.309 2.798 20 0 DFADHM Cc1cc([C@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)c(C)o1 ZINC000431763161 429781591 /nfs/dbraw/zinc/78/15/91/429781591.db2.gz ABUFFECDMMCXMH-QMMMGPOBSA-N -1 3 302.309 2.798 20 0 DFADHM Cc1cc([C@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)c(C)o1 ZINC000431763161 429781595 /nfs/dbraw/zinc/78/15/95/429781595.db2.gz ABUFFECDMMCXMH-QMMMGPOBSA-N -1 3 302.309 2.798 20 0 DFADHM CCOc1nc2ccc(C(=O)Nc3cnc(CC)nc3)cc2[n-]1 ZINC000431817310 429785281 /nfs/dbraw/zinc/78/52/81/429785281.db2.gz FOACDFAWGSTGMB-UHFFFAOYSA-N -1 3 311.345 2.566 20 0 DFADHM CCOc1nc2cc(C(=O)Nc3cnc(CC)nc3)ccc2[n-]1 ZINC000431817310 429785284 /nfs/dbraw/zinc/78/52/84/429785284.db2.gz FOACDFAWGSTGMB-UHFFFAOYSA-N -1 3 311.345 2.566 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CC2Cc3ccccc3C2)c1 ZINC000451211807 429788820 /nfs/dbraw/zinc/78/88/20/429788820.db2.gz XGSAPQXZQJIOSK-UHFFFAOYSA-N -1 3 307.440 2.750 20 0 DFADHM CCOc1ccc(NC(=O)c2c[n-]c(C(=O)OC)c2)cc1F ZINC000432036014 429795000 /nfs/dbraw/zinc/79/50/00/429795000.db2.gz WLUVHINTPZKUBD-UHFFFAOYSA-N -1 3 306.293 2.591 20 0 DFADHM CC1(C)OC[C@@H]2C[C@@]21NCc1cccc([O-])c1Br ZINC000527766317 429795563 /nfs/dbraw/zinc/79/55/63/429795563.db2.gz ZFVONBWJRYUYCM-IINYFYTJSA-N -1 3 312.207 2.812 20 0 DFADHM Cc1ccccc1-c1nc(=N[C@@H]2CCN(C)[C@@H](C)C2)s[n-]1 ZINC000527902881 429818622 /nfs/dbraw/zinc/81/86/22/429818622.db2.gz HJNVSXAHJQHNPR-QWHCGFSZSA-N -1 3 302.447 2.830 20 0 DFADHM O=S(=O)(CC1CCCC1)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000368262122 429819430 /nfs/dbraw/zinc/81/94/30/429819430.db2.gz FOGRVMGQRQMNMA-GFCCVEGCSA-N -1 3 317.357 2.508 20 0 DFADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2OCCc3ccsc32)n1 ZINC000368263310 429819855 /nfs/dbraw/zinc/81/98/55/429819855.db2.gz JQZGNXQXQQQPPI-LBPRGKRZSA-N -1 3 304.371 2.800 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)o1 ZINC000451386290 429821489 /nfs/dbraw/zinc/82/14/89/429821489.db2.gz VXWSTPRCDYGURR-WDEREUQCSA-N -1 3 322.377 2.789 20 0 DFADHM CCOCc1nnc([N-]Cc2ccc(C(F)(F)F)s2)o1 ZINC000432413514 429822262 /nfs/dbraw/zinc/82/22/62/429822262.db2.gz HCAFFAFDZFNVTN-UHFFFAOYSA-N -1 3 307.297 3.299 20 0 DFADHM CCc1cc(C(=O)NC[C@H]2COc3ccccc3C2)ccc1[O-] ZINC000368276956 429823110 /nfs/dbraw/zinc/82/31/10/429823110.db2.gz OUHPBPHVPRDJDT-ZDUSSCGKSA-N -1 3 311.381 2.936 20 0 DFADHM CCc1cc(C(=O)NC[C@H]2CC(=O)Nc3ccccc32)ccc1[O-] ZINC000368293506 429825603 /nfs/dbraw/zinc/82/56/03/429825603.db2.gz XXKKILROTBQHNP-CQSZACIVSA-N -1 3 324.380 2.810 20 0 DFADHM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000368361865 429838072 /nfs/dbraw/zinc/83/80/72/429838072.db2.gz MPUIBHUGJKHERP-ADLMAVQZSA-N -1 3 320.348 2.780 20 0 DFADHM CC(C)[C@@H](CO)O[N-]C(=O)/C=C\Sc1cc(F)ccc1F ZINC000493844837 429840508 /nfs/dbraw/zinc/84/05/08/429840508.db2.gz CKQJEEJNOSFAFX-FOQNGQEVSA-N -1 3 317.357 2.635 20 0 DFADHM Cc1ccccc1-c1nc(=NC[C@@H]2CCN(C3CC3)C2)s[n-]1 ZINC000527849448 429809833 /nfs/dbraw/zinc/80/98/33/429809833.db2.gz UCUWGCUTENRYDH-ZDUSSCGKSA-N -1 3 314.458 2.832 20 0 DFADHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000432296101 429812250 /nfs/dbraw/zinc/81/22/50/429812250.db2.gz DEYPLHGXANPPDG-UFBFGSQYSA-N -1 3 324.229 2.697 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 ZINC000368231919 429812688 /nfs/dbraw/zinc/81/26/88/429812688.db2.gz OOPMHVBLWGRBCU-BZUAXINKSA-N -1 3 319.449 2.650 20 0 DFADHM Cc1ccccc1-c1nc(=NC[C@H](C)N(C)C2CC2)s[n-]1 ZINC000527881072 429814438 /nfs/dbraw/zinc/81/44/38/429814438.db2.gz NLJHRHVMAUJXLH-LBPRGKRZSA-N -1 3 302.447 2.830 20 0 DFADHM CCc1cc(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccc1[O-] ZINC000368693719 429888463 /nfs/dbraw/zinc/88/84/63/429888463.db2.gz UDSGOJYBYSFLJV-IMJJTQAJSA-N -1 3 303.402 2.888 20 0 DFADHM [O-]c1cc(F)cc(CN2CCc3[nH]nc(C(F)(F)F)c3C2)c1 ZINC000368700414 429888689 /nfs/dbraw/zinc/88/86/89/429888689.db2.gz SSHIDSMEKMEVTQ-UHFFFAOYSA-N -1 3 315.270 2.832 20 0 DFADHM O=C(NC1CCN(Cc2cc([O-])cc(F)c2)CC1)c1ccoc1 ZINC000368707684 429889171 /nfs/dbraw/zinc/88/91/71/429889171.db2.gz OKTHVTOPGWFTES-UHFFFAOYSA-N -1 3 318.348 2.519 20 0 DFADHM COCC[C@@H]1CCCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000368768068 429893055 /nfs/dbraw/zinc/89/30/55/429893055.db2.gz YCNYWEXAGKGHLX-ZDUSSCGKSA-N -1 3 307.390 2.680 20 0 DFADHM CSc1ccc(C(=O)NC[C@@H]2COC3(CCCC3)O2)c([O-])c1 ZINC000368942414 429902812 /nfs/dbraw/zinc/90/28/12/429902812.db2.gz WCRXZVIUBYMRJM-LLVKDONJSA-N -1 3 323.414 2.530 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000369010132 429906939 /nfs/dbraw/zinc/90/69/39/429906939.db2.gz MOVRQDPVTAJVJQ-ZDUSSCGKSA-N -1 3 310.332 2.727 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](c2cccc(F)c2)C1 ZINC000369036860 429908862 /nfs/dbraw/zinc/90/88/62/429908862.db2.gz RPDHUFZPECRMGR-LBPRGKRZSA-N -1 3 301.317 2.867 20 0 DFADHM Cn1ccc(S(=O)(=O)[N-][C@H]2CCC(C)(C)c3ccccc32)n1 ZINC000573086681 429924625 /nfs/dbraw/zinc/92/46/25/429924625.db2.gz JVTRKIFPKQKLTD-AWEZNQCLSA-N -1 3 319.430 2.511 20 0 DFADHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)OC ZINC000451671817 429870472 /nfs/dbraw/zinc/87/04/72/429870472.db2.gz GUPKERAFFHYXBD-JOYOIKCWSA-N -1 3 323.817 2.819 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC2(C)C)c(Cl)cc1F ZINC000451700899 429874913 /nfs/dbraw/zinc/87/49/13/429874913.db2.gz YOLCMCUPQBFGGX-LBPRGKRZSA-N -1 3 321.801 2.633 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000573463481 429955152 /nfs/dbraw/zinc/95/51/52/429955152.db2.gz KXUVTMCFPQMGEA-USWWRNFRSA-N -1 3 315.822 2.816 20 0 DFADHM O=C(NCCc1c[nH]c2ccc(F)cc12)c1cccc2nn[n-]c21 ZINC000557823836 429956853 /nfs/dbraw/zinc/95/68/53/429956853.db2.gz IPVCJPOXXLTTHG-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(NCCc1c[nH]c2ccc(F)cc12)c1cccc2[n-]nnc21 ZINC000557823836 429956856 /nfs/dbraw/zinc/95/68/56/429956856.db2.gz IPVCJPOXXLTTHG-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(NCCc1c[nH]c2ccc(F)cc12)c1cccc2n[n-]nc21 ZINC000557823836 429956858 /nfs/dbraw/zinc/95/68/58/429956858.db2.gz IPVCJPOXXLTTHG-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM CCSc1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1 ZINC000573608202 429964657 /nfs/dbraw/zinc/96/46/57/429964657.db2.gz FPBTXAZEODQHRF-CQSZACIVSA-N -1 3 315.460 2.965 20 0 DFADHM CC(C)(CNC(=O)c1c[n-]c2ccccc2c1=O)C(F)(F)F ZINC000558719838 429987175 /nfs/dbraw/zinc/98/71/75/429987175.db2.gz HNUIYQSGRGHVPI-UHFFFAOYSA-N -1 3 312.291 2.846 20 0 DFADHM O=C([O-])c1cnc(NC[C@@H](c2ccccc2)N2CCCC2)s1 ZINC000630456326 429965638 /nfs/dbraw/zinc/96/56/38/429965638.db2.gz OPMXUNVFFXUGQB-ZDUSSCGKSA-N -1 3 317.414 3.090 20 0 DFADHM Cc1ccc2ncc(C(=O)[O-])c(N(C)C[C@H]3CCOC3)c2c1 ZINC000573729449 429976157 /nfs/dbraw/zinc/97/61/57/429976157.db2.gz VKKPNPKMZVBFPB-GFCCVEGCSA-N -1 3 300.358 2.714 20 0 DFADHM COC1([C@@H](C(=O)[O-])N(C)Cc2ccc(F)cc2Cl)CCC1 ZINC000573734082 429978627 /nfs/dbraw/zinc/97/86/27/429978627.db2.gz QVOIKKLWHRSQHW-CYBMUJFWSA-N -1 3 315.772 2.933 20 0 DFADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000558629921 429981441 /nfs/dbraw/zinc/98/14/41/429981441.db2.gz XIQBEFIQUBCMMV-AWEZNQCLSA-N -1 3 310.332 2.823 20 0 DFADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000558629921 429981450 /nfs/dbraw/zinc/98/14/50/429981450.db2.gz XIQBEFIQUBCMMV-AWEZNQCLSA-N -1 3 310.332 2.823 20 0 DFADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000558629921 429981453 /nfs/dbraw/zinc/98/14/53/429981453.db2.gz XIQBEFIQUBCMMV-AWEZNQCLSA-N -1 3 310.332 2.823 20 0 DFADHM COc1ccnc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC000573855684 429987634 /nfs/dbraw/zinc/98/76/34/429987634.db2.gz RPFUUDDWJRCVGZ-CQSZACIVSA-N -1 3 314.385 2.813 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)c1 ZINC000557198294 429932810 /nfs/dbraw/zinc/93/28/10/429932810.db2.gz XBRDFUXUGBRBJH-QGZVFWFLSA-N -1 3 324.424 2.700 20 0 DFADHM Cn1c(CNCCCC(=O)[O-])nc2cc(C(F)(F)F)ccc21 ZINC000573206712 429934299 /nfs/dbraw/zinc/93/42/99/429934299.db2.gz KNMYXSPQKLGQQW-UHFFFAOYSA-N -1 3 315.295 2.547 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])NCCC1CC(O)C1 ZINC000560260568 430028302 /nfs/dbraw/zinc/02/83/02/430028302.db2.gz KIEBKFNGJRBNMN-UHFFFAOYSA-N -1 3 313.397 2.755 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@@H]2COc3ccc(C)cc32)c1 ZINC000560296972 430030112 /nfs/dbraw/zinc/03/01/12/430030112.db2.gz BGUTZCCKHDJQTE-GFCCVEGCSA-N -1 3 309.412 2.777 20 0 DFADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cccc2ccoc21 ZINC000560317095 430030311 /nfs/dbraw/zinc/03/03/11/430030311.db2.gz DURWHONKEKNIPL-UHFFFAOYSA-N -1 3 320.370 2.770 20 0 DFADHM CCO[C@H](C)c1noc(COc2ccc3c([O-])coc3c2C)n1 ZINC000634560398 430035599 /nfs/dbraw/zinc/03/55/99/430035599.db2.gz HBJMZXDZDMCDJU-SNVBAGLBSA-N -1 3 318.329 2.630 20 0 DFADHM Cc1c2occ([O-])c2ccc1OCc1nnc(C2CC2)s1 ZINC000634560017 430035763 /nfs/dbraw/zinc/03/57/63/430035763.db2.gz QSTPHLPGVCNEIN-UHFFFAOYSA-N -1 3 302.355 2.878 20 0 DFADHM Cc1cc(OCc2nc(C3CCC3)no2)cc2occ([O-])c21 ZINC000634561291 430036034 /nfs/dbraw/zinc/03/60/34/430036034.db2.gz VCADSNKSVQMIJR-UHFFFAOYSA-N -1 3 300.314 2.800 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)C(C)(C)[C@@H]3CCCCO3)[n-]2)o1 ZINC000639963564 430036297 /nfs/dbraw/zinc/03/62/97/430036297.db2.gz AWDLWVOFYRRHMB-LBPRGKRZSA-N -1 3 318.377 2.907 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)C(C)(C)[C@@H]3CCCCO3)n2)o1 ZINC000639963564 430036302 /nfs/dbraw/zinc/03/63/02/430036302.db2.gz AWDLWVOFYRRHMB-LBPRGKRZSA-N -1 3 318.377 2.907 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)C(C)(C)[C@@H]3CCCCO3)n[n-]2)o1 ZINC000639963564 430036304 /nfs/dbraw/zinc/03/63/04/430036304.db2.gz AWDLWVOFYRRHMB-LBPRGKRZSA-N -1 3 318.377 2.907 20 0 DFADHM Cc1ncc(CNC(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c(=O)[n-]1 ZINC000573896102 429991791 /nfs/dbraw/zinc/99/17/91/429991791.db2.gz NHCMBNUQCLWRHI-GMXVVIOVSA-N -1 3 306.410 2.505 20 0 DFADHM O=C(NCCCc1cccc(F)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000573932835 429995991 /nfs/dbraw/zinc/99/59/91/429995991.db2.gz OVKPWHPRZFIAAA-UHFFFAOYSA-N -1 3 315.348 2.561 20 0 DFADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)C1CCc2ccccc2CC1 ZINC000529414236 430001523 /nfs/dbraw/zinc/00/15/23/430001523.db2.gz SUPLYOXNXBFKOO-UHFFFAOYSA-N -1 3 321.380 3.402 20 0 DFADHM CC[C@H](NC(=O)c1cc([O-])cc(Br)c1)C(F)F ZINC000529436902 430004623 /nfs/dbraw/zinc/00/46/23/430004623.db2.gz ZSHWBFFSFCAKFD-VIFPVBQESA-N -1 3 308.122 2.928 20 0 DFADHM CCc1cc(C(=O)N2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1[O-] ZINC000634487939 430017550 /nfs/dbraw/zinc/01/75/50/430017550.db2.gz WKNHKRDZFMDPOF-ZOBUZTSGSA-N -1 3 303.402 2.720 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CC(C)(C)[C@H]2c2ccco2)on1 ZINC000639926966 430027010 /nfs/dbraw/zinc/02/70/10/430027010.db2.gz PWHZCTYBQYCQTQ-BXUZGUMPSA-N -1 3 303.362 2.986 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)ccc2[n-]1 ZINC000529985677 430094153 /nfs/dbraw/zinc/09/41/53/430094153.db2.gz XINSZAFNKMMMJJ-DDIVZENXSA-N -1 3 317.389 2.503 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)cc2[n-]1 ZINC000529985677 430094158 /nfs/dbraw/zinc/09/41/58/430094158.db2.gz XINSZAFNKMMMJJ-DDIVZENXSA-N -1 3 317.389 2.503 20 0 DFADHM COCc1ncc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)s1 ZINC000561559293 430094449 /nfs/dbraw/zinc/09/44/49/430094449.db2.gz SVSGWNMVEMIZKE-UHFFFAOYSA-N -1 3 321.402 3.362 20 0 DFADHM COc1ccc(NC(=O)[C@@]2(C)OCCc3ccccc32)c([O-])c1 ZINC000640159589 430102513 /nfs/dbraw/zinc/10/25/13/430102513.db2.gz HUVIVOAMMHIQQV-SFHVURJKSA-N -1 3 313.353 2.827 20 0 DFADHM CCOc1ccc([N-]S(=O)(=O)CC2(OC)CCC2)cc1F ZINC000634787923 430113046 /nfs/dbraw/zinc/11/30/46/430113046.db2.gz VFWCGBKJYIWAFG-UHFFFAOYSA-N -1 3 317.382 2.535 20 0 DFADHM O=S(=O)(CCOCC1CCC1)[N-]c1ccccc1Cl ZINC000634784921 430113146 /nfs/dbraw/zinc/11/31/46/430113146.db2.gz LDIJQZRXMFZINF-UHFFFAOYSA-N -1 3 303.811 2.898 20 0 DFADHM COC1(CS(=O)(=O)[N-]c2cccc(C(F)F)c2)CCC1 ZINC000634788248 430113182 /nfs/dbraw/zinc/11/31/82/430113182.db2.gz KFMCZRFBXDHNCH-UHFFFAOYSA-N -1 3 305.346 2.935 20 0 DFADHM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cccc(C(C)=O)c2[O-])C1 ZINC000560549297 430054889 /nfs/dbraw/zinc/05/48/89/430054889.db2.gz CHAZCXGATDGWBP-RYUDHWBXSA-N -1 3 319.357 2.513 20 0 DFADHM CCO[C@@H]1CCC[C@H]1NCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000560595213 430057701 /nfs/dbraw/zinc/05/77/01/430057701.db2.gz BABGBRLSHGGDHY-HZPDHXFCSA-N -1 3 313.401 2.896 20 0 DFADHM CCOC(=O)[C@H](CC)N(C(=O)c1cccc(CC)c1[O-])C1CC1 ZINC000530344747 430113573 /nfs/dbraw/zinc/11/35/73/430113573.db2.gz XKEXWKFODKAOSR-HNNXBMFYSA-N -1 3 319.401 2.901 20 0 DFADHM O=C(Nc1cccc(OCC(F)F)n1)c1cc(C(F)F)[n-]n1 ZINC000640045714 430068529 /nfs/dbraw/zinc/06/85/29/430068529.db2.gz JPCSQDWUCMBZQL-UHFFFAOYSA-N -1 3 318.230 2.639 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1COCc2ccccc21 ZINC000561111446 430076449 /nfs/dbraw/zinc/07/64/49/430076449.db2.gz IRVUMFJPBQVULB-HNNXBMFYSA-N -1 3 321.373 2.684 20 0 DFADHM O=C(Nc1cc2ccccn2n1)c1cc([O-])c2ccccc2c1 ZINC000561154417 430078325 /nfs/dbraw/zinc/07/83/25/430078325.db2.gz SYUILDMNHRQQAK-UHFFFAOYSA-N -1 3 303.321 3.445 20 0 DFADHM CC(C)(C)c1nc(CC(=O)Nc2cccc3n[n-]nc32)cs1 ZINC000640379634 430154425 /nfs/dbraw/zinc/15/44/25/430154425.db2.gz IASDXKDPGJBVNS-UHFFFAOYSA-N -1 3 315.402 2.893 20 0 DFADHM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1cccc2n[n-]nc21 ZINC000640378713 430154826 /nfs/dbraw/zinc/15/48/26/430154826.db2.gz FUDPQFWYTMALQK-UHFFFAOYSA-N -1 3 312.377 2.533 20 0 DFADHM O=C(Nc1cccc2n[n-]nc21)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000640380636 430155380 /nfs/dbraw/zinc/15/53/80/430155380.db2.gz VWVRKKKVBHXTJE-KPZWWZAWSA-N -1 3 320.352 2.637 20 0 DFADHM O=C(c1ccc([O-])cc1)C1CCN(CCC[C@H]2CCO2)CC1 ZINC000637884659 430159029 /nfs/dbraw/zinc/15/90/29/430159029.db2.gz RRXZTALIEKGTSW-KRWDZBQOSA-N -1 3 303.402 2.856 20 0 DFADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000637884891 430160095 /nfs/dbraw/zinc/16/00/95/430160095.db2.gz UTBQZNJVVHYIOR-UHFFFAOYSA-N -1 3 312.369 2.588 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)c1 ZINC000580988018 430166809 /nfs/dbraw/zinc/16/68/09/430166809.db2.gz BJLGDQRGCVNPST-UHFFFAOYSA-N -1 3 319.430 2.649 20 0 DFADHM CCOC(=O)c1oc2ccccc2c1CN(CC(=O)[O-])C(C)C ZINC000581014201 430170185 /nfs/dbraw/zinc/17/01/85/430170185.db2.gz REOGUCNYNVWDHV-UHFFFAOYSA-N -1 3 319.357 2.905 20 0 DFADHM CCc1cccc(C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1[O-] ZINC000581034066 430172997 /nfs/dbraw/zinc/17/29/97/430172997.db2.gz WSWJLWPDUXVJJF-WMZOPIPTSA-N -1 3 301.386 2.738 20 0 DFADHM O=c1cc(CN[C@@H]2CCCn3nccc32)nc(-c2ccccc2)[n-]1 ZINC000640219270 430119237 /nfs/dbraw/zinc/11/92/37/430119237.db2.gz CRNCFLOFPYPOPP-OAHLLOKOSA-N -1 3 321.384 2.670 20 0 DFADHM Cc1ccccc1C1(CNC(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000562417055 430129382 /nfs/dbraw/zinc/12/93/82/430129382.db2.gz JGBWGJZLPBTECD-UHFFFAOYSA-N -1 3 324.359 2.867 20 0 DFADHM Cc1ccccc1C1(CNC(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000562417055 430129386 /nfs/dbraw/zinc/12/93/86/430129386.db2.gz JGBWGJZLPBTECD-UHFFFAOYSA-N -1 3 324.359 2.867 20 0 DFADHM Cc1ccccc1C1(CNC(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000562417055 430129391 /nfs/dbraw/zinc/12/93/91/430129391.db2.gz JGBWGJZLPBTECD-UHFFFAOYSA-N -1 3 324.359 2.867 20 0 DFADHM Cc1ccc(C)c(C(=O)NC[C@@H]2CCN2C(C)(C)C)c1C(=O)[O-] ZINC000634844236 430131328 /nfs/dbraw/zinc/13/13/28/430131328.db2.gz GMDOJGAMUFSDBC-ZDUSSCGKSA-N -1 3 318.417 2.604 20 0 DFADHM CC[C@H]1CCc2c(sc3[n-]c(Cn4ccnn4)nc(=O)c23)C1 ZINC000637796575 430132075 /nfs/dbraw/zinc/13/20/75/430132075.db2.gz YQYWYTWAYZHBGU-VIFPVBQESA-N -1 3 315.402 2.552 20 0 DFADHM COc1cc(NC(=O)c2cc(C(F)F)[n-]n2)c(C)c(OC)c1 ZINC000640266772 430133861 /nfs/dbraw/zinc/13/38/61/430133861.db2.gz YBWQVYIIARURRO-UHFFFAOYSA-N -1 3 311.288 2.925 20 0 DFADHM C[C@]1(C(=O)[O-])CCN(Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000580560913 430133942 /nfs/dbraw/zinc/13/39/42/430133942.db2.gz CNEIRDLHIMTKJI-INIZCTEOSA-N -1 3 304.321 2.777 20 0 DFADHM COc1ccc(-c2cnc(CN3CCC[C@@H]3CC(=O)[O-])o2)cc1 ZINC000580720735 430147886 /nfs/dbraw/zinc/14/78/86/430147886.db2.gz NKJFTHWBVAKAAJ-CYBMUJFWSA-N -1 3 316.357 2.789 20 0 DFADHM CC(=O)N1CC[C@@H](NC(=O)c2ccc(C)cc2[O-])c2ccccc21 ZINC000362732484 277004690 /nfs/dbraw/zinc/00/46/90/277004690.db2.gz CDCGFVWWCXSFLL-MRXNPFEDSA-N -1 3 324.380 2.928 20 0 DFADHM CC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])c2ccccc21 ZINC000362738967 277004972 /nfs/dbraw/zinc/00/49/72/277004972.db2.gz WSOAXTGEDFEULJ-OAHLLOKOSA-N -1 3 310.353 2.620 20 0 DFADHM Cc1nocc1[N-]C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000640489860 430183817 /nfs/dbraw/zinc/18/38/17/430183817.db2.gz MFWPWGRUGGWBNG-UHFFFAOYSA-N -1 3 308.388 2.973 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](CC3CC3)C2)c1 ZINC000581135930 430180472 /nfs/dbraw/zinc/18/04/72/430180472.db2.gz SEQGOTHYLYCNAP-ZDUSSCGKSA-N -1 3 302.374 2.613 20 0 DFADHM C[C@H](c1ccc(F)cc1F)N1CCN([C@H](C(=O)[O-])C2CC2)CC1 ZINC000635014892 430198772 /nfs/dbraw/zinc/19/87/72/430198772.db2.gz BBXAKJLOFHQQFC-BZNIZROVSA-N -1 3 324.371 2.507 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2Cl)n[n-]1 ZINC000542167809 430204308 /nfs/dbraw/zinc/20/43/08/430204308.db2.gz ADRDMOTXMIVZME-UHFFFAOYSA-N -1 3 321.764 3.109 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2Cl)[n-]n1 ZINC000542167809 430204312 /nfs/dbraw/zinc/20/43/12/430204312.db2.gz ADRDMOTXMIVZME-UHFFFAOYSA-N -1 3 321.764 3.109 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2ccc3nc(C)c(C)nc3c2)n1 ZINC000542461717 430211260 /nfs/dbraw/zinc/21/12/60/430211260.db2.gz LAZYWQJCPZCRSI-UHFFFAOYSA-N -1 3 308.341 2.908 20 0 DFADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000581554086 430219404 /nfs/dbraw/zinc/21/94/04/430219404.db2.gz RTJNSJOAKFSCSH-ILXRZTDVSA-N -1 3 321.804 2.967 20 0 DFADHM CCc1cccc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1[O-] ZINC000542747226 430220805 /nfs/dbraw/zinc/22/08/05/430220805.db2.gz XYXDTLHXMAPLIK-HUUCEWRRSA-N -1 3 305.418 2.824 20 0 DFADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC[C@@](C)(O)C3)c2c1 ZINC000565484066 430213219 /nfs/dbraw/zinc/21/32/19/430213219.db2.gz WMMRDIXFBGHFMY-QGZVFWFLSA-N -1 3 300.358 2.593 20 0 DFADHM O=C(N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1c[n-]nn1 ZINC000581868561 430244670 /nfs/dbraw/zinc/24/46/70/430244670.db2.gz LPQOILPYCQOLNV-WCQYABFASA-N -1 3 304.781 2.914 20 0 DFADHM O=C(N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1cnn[n-]1 ZINC000581868561 430244672 /nfs/dbraw/zinc/24/46/72/430244672.db2.gz LPQOILPYCQOLNV-WCQYABFASA-N -1 3 304.781 2.914 20 0 DFADHM O=C(N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1cn[n-]n1 ZINC000581868561 430244675 /nfs/dbraw/zinc/24/46/75/430244675.db2.gz LPQOILPYCQOLNV-WCQYABFASA-N -1 3 304.781 2.914 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)n1 ZINC000543392061 430245973 /nfs/dbraw/zinc/24/59/73/430245973.db2.gz HBGXEPKRTKGTAT-LBPRGKRZSA-N -1 3 312.369 2.990 20 0 DFADHM COC(=O)c1cnc(SCCC=Cc2cncc(OC)c2)[n-]1 ZINC000566209608 430247719 /nfs/dbraw/zinc/24/77/19/430247719.db2.gz JJPCSVGSZYLDMX-HWKANZROSA-N -1 3 319.386 2.796 20 0 DFADHM CC[C@@H](Cc1ccccc1)N(C)Cc1cc(C(=O)[O-])nn1C ZINC000635303245 430250015 /nfs/dbraw/zinc/25/00/15/430250015.db2.gz SCIAEPGYPVLEMJ-AWEZNQCLSA-N -1 3 301.390 2.571 20 0 DFADHM C[C@@H]1CCN(Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000566227986 430250926 /nfs/dbraw/zinc/25/09/26/430250926.db2.gz RZNRFLAUFJAAOE-KOLCDFICSA-N -1 3 317.307 2.970 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN1CCC[C@]1(C)Cc1ccccc1 ZINC000635309461 430251719 /nfs/dbraw/zinc/25/17/19/430251719.db2.gz XWACIMWZJRUGMK-GOSISDBHSA-N -1 3 313.401 2.716 20 0 DFADHM Cc1ccc(C(C)(C)CNCc2cc(C(=O)[O-])nn2C)c(C)c1 ZINC000635313328 430252782 /nfs/dbraw/zinc/25/27/82/430252782.db2.gz WHWABLUOHJQAHN-UHFFFAOYSA-N -1 3 315.417 2.803 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000582004448 430257631 /nfs/dbraw/zinc/25/76/31/430257631.db2.gz QKYXRKONMDYCMQ-LBPRGKRZSA-N -1 3 305.378 2.970 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000582004448 430257634 /nfs/dbraw/zinc/25/76/34/430257634.db2.gz QKYXRKONMDYCMQ-LBPRGKRZSA-N -1 3 305.378 2.970 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000543954714 430268834 /nfs/dbraw/zinc/26/88/34/430268834.db2.gz KTFUQRHQFTUMGT-LLVKDONJSA-N -1 3 314.316 2.523 20 0 DFADHM COc1ccc(CN2CC[C@@H]2C(=O)Nc2ccccc2[O-])cc1 ZINC000635399766 430269319 /nfs/dbraw/zinc/26/93/19/430269319.db2.gz BLDIVRYRQHYPCA-MRXNPFEDSA-N -1 3 312.369 2.614 20 0 DFADHM Cc1[nH]nc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1C ZINC000566611839 430270225 /nfs/dbraw/zinc/27/02/25/430270225.db2.gz XHNXKTSXELBUSU-UHFFFAOYSA-N -1 3 321.380 3.575 20 0 DFADHM Cc1ncc(Cl)c(C(=O)[N-]c2cc(C3(C)CCCC3)on2)n1 ZINC000566954359 430273693 /nfs/dbraw/zinc/27/36/93/430273693.db2.gz PLMZVEDJCLTJDJ-UHFFFAOYSA-N -1 3 320.780 3.510 20 0 DFADHM Cc1ncc(CNC(=O)c2csc3c2CC[C@H](C)C3)c(=O)[n-]1 ZINC000544264202 430278036 /nfs/dbraw/zinc/27/80/36/430278036.db2.gz KIOGFCLVZPKBGL-VIFPVBQESA-N -1 3 317.414 2.607 20 0 DFADHM O=S(=O)(Cc1ccccc1F)[N-][C@@H]1COCc2ccccc21 ZINC000582248496 430281060 /nfs/dbraw/zinc/28/10/60/430281060.db2.gz JTTCDGAFUCNXKV-MRXNPFEDSA-N -1 3 321.373 2.517 20 0 DFADHM CC(C)[C@H]1CN(c2c(C(=O)[O-])cnc3ccccc32)CCN1C ZINC000582244143 430281979 /nfs/dbraw/zinc/28/19/79/430281979.db2.gz MWVUOINMENDJOP-MRXNPFEDSA-N -1 3 313.401 2.709 20 0 DFADHM CC1(C)CN(Cc2ncccc2[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000582932192 430349704 /nfs/dbraw/zinc/34/97/04/430349704.db2.gz UPKFALGWQWOICW-GLJUWKHASA-N -1 3 302.418 2.957 20 0 DFADHM CCc1cc(CNC(=O)c2ccc3c(c2[O-])CCCC3)on1 ZINC000544563496 430285945 /nfs/dbraw/zinc/28/59/45/430285945.db2.gz ZDCAVDFYLQUCNG-UHFFFAOYSA-N -1 3 300.358 2.751 20 0 DFADHM C[C@@]1(CCCO)CCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000544542507 430286936 /nfs/dbraw/zinc/28/69/36/430286936.db2.gz UULXXVRPJCVZAC-INIZCTEOSA-N -1 3 311.809 2.742 20 0 DFADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2ncccc2[O-])C1 ZINC000582327543 430289696 /nfs/dbraw/zinc/28/96/96/430289696.db2.gz KCULDGLUZMWKSU-ZDUSSCGKSA-N -1 3 306.406 2.731 20 0 DFADHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000186007873 277509620 /nfs/dbraw/zinc/50/96/20/277509620.db2.gz ZENJBXZIJJFSET-VXGBXAGGSA-N -1 3 303.449 2.620 20 0 DFADHM CO[C@@H](CN(CCC(=O)[O-])Cc1cccc(F)c1F)C1CC1 ZINC000568058846 430310796 /nfs/dbraw/zinc/31/07/96/430310796.db2.gz HVAOETBCAIQFDX-AWEZNQCLSA-N 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297007570 /nfs/dbraw/zinc/00/75/70/297007570.db2.gz BZLVRCKWANKGOG-UHFFFAOYSA-N -1 3 309.369 2.858 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@@H](C3CCOCC3)C2)c([O-])c1C ZINC000436509701 297007919 /nfs/dbraw/zinc/00/79/19/297007919.db2.gz BUFDRGJCXZTBCQ-OAHLLOKOSA-N -1 3 303.402 2.898 20 0 DFADHM Cc1cccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c1[O-] ZINC000436525039 297008837 /nfs/dbraw/zinc/00/88/37/297008837.db2.gz DFZBNBZWIGNZPG-UHFFFAOYSA-N -1 3 316.332 2.550 20 0 DFADHM COc1cccc(C(=O)N[C@@H](C)c2ccccc2OC)c1[O-] ZINC000436523404 297008906 /nfs/dbraw/zinc/00/89/06/297008906.db2.gz AZWLCIKQQHMMCJ-NSHDSACASA-N -1 3 301.342 2.900 20 0 DFADHM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1ccc(O)cc1[O-] ZINC000436534136 297010108 /nfs/dbraw/zinc/01/01/08/297010108.db2.gz KXLNWNASYUIGQH-CYBMUJFWSA-N -1 3 305.374 2.710 20 0 DFADHM COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1cccc(C)c1[O-] ZINC000436535369 297010305 /nfs/dbraw/zinc/01/03/05/297010305.db2.gz KEAQXRHHHQIHGC-HNNXBMFYSA-N -1 3 313.353 2.687 20 0 DFADHM COc1ccc(C(=O)NC2(c3cccc(F)c3)CC2)c([O-])c1 ZINC000436538513 297010726 /nfs/dbraw/zinc/01/07/26/297010726.db2.gz UEUOWJMBINNAGV-UHFFFAOYSA-N -1 3 301.317 2.959 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)CC(=O)OC(C)(C)C)c([O-])c1C ZINC000436543984 297010862 /nfs/dbraw/zinc/01/08/62/297010862.db2.gz NRAHEAVKNZOWHU-LLVKDONJSA-N -1 3 307.390 2.859 20 0 DFADHM CNC(=O)CCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436554382 297012110 /nfs/dbraw/zinc/01/21/10/297012110.db2.gz KVARKLKDHXCSOK-UHFFFAOYSA-N -1 3 306.406 2.505 20 0 DFADHM CCOC(=O)C(C)(C)N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436553868 297012290 /nfs/dbraw/zinc/01/22/90/297012290.db2.gz HVLMSRMNUJUSEA-UHFFFAOYSA-N -1 3 307.390 2.929 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 ZINC000436591080 297015917 /nfs/dbraw/zinc/01/59/17/297015917.db2.gz VIDWPYHIMCYKBG-BBRMVZONSA-N -1 3 324.380 2.624 20 0 DFADHM CO[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436571692 297013654 /nfs/dbraw/zinc/01/36/54/297013654.db2.gz DISAUHHXUONHRP-MRXNPFEDSA-N -1 3 311.381 2.844 20 0 DFADHM Cc1nn(C)c(C)c1CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436577855 297014084 /nfs/dbraw/zinc/01/40/84/297014084.db2.gz VVSLUBOLHNOJCL-UHFFFAOYSA-N -1 3 313.401 2.551 20 0 DFADHM Cc1ccc(C(=O)NCC(=O)N(C)C2CCCCC2)c([O-])c1C ZINC000436575534 297014446 /nfs/dbraw/zinc/01/44/46/297014446.db2.gz IVGICKBEAJDEJX-UHFFFAOYSA-N -1 3 318.417 2.530 20 0 DFADHM COC[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(F)cc1 ZINC000436576323 297014466 /nfs/dbraw/zinc/01/44/66/297014466.db2.gz QKIVFDYKLLBDNY-HNNXBMFYSA-N -1 3 303.333 2.957 20 0 DFADHM COC[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436579205 297014491 /nfs/dbraw/zinc/01/44/91/297014491.db2.gz UBRASXYXJDRJKH-INIZCTEOSA-N -1 3 313.397 2.997 20 0 DFADHM COC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(F)cc1 ZINC000436576324 297014508 /nfs/dbraw/zinc/01/45/08/297014508.db2.gz QKIVFDYKLLBDNY-OAHLLOKOSA-N -1 3 303.333 2.957 20 0 DFADHM CC[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])[C@H](CC)CN1C(C)=O ZINC000436587587 297015279 /nfs/dbraw/zinc/01/52/79/297015279.db2.gz POEPJYNZNFPTOA-HUUCEWRRSA-N -1 3 318.417 2.562 20 0 DFADHM O=C(NC[C@@H](O)C(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436584604 297015511 /nfs/dbraw/zinc/01/55/11/297015511.db2.gz JKPFHVXJFRQNLW-CQSZACIVSA-N -1 3 323.295 2.540 20 0 DFADHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1cc(C)ccc1[O-] ZINC000436589606 297015604 /nfs/dbraw/zinc/01/56/04/297015604.db2.gz WSDJVOLUPCIPQS-LSDHHAIUSA-N -1 3 318.417 2.562 20 0 DFADHM O=C(NCc1ccn2ccnc2c1)c1cc2c(cc1[O-])CCCC2 ZINC000436588317 297015624 /nfs/dbraw/zinc/01/56/24/297015624.db2.gz SNICTIMQYYVNTK-UHFFFAOYSA-N -1 3 321.380 2.849 20 0 DFADHM O=C(NCC[C@@H]1CCCCO1)c1cc2c(cc1[O-])CCCC2 ZINC000436594771 297016299 /nfs/dbraw/zinc/01/62/99/297016299.db2.gz IXCBYYZXENKPBI-HNNXBMFYSA-N -1 3 303.402 2.960 20 0 DFADHM Cc1cccc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c1[O-] ZINC000436599205 297016671 /nfs/dbraw/zinc/01/66/71/297016671.db2.gz DDJXTTGSGQBRJW-CYBMUJFWSA-N -1 3 310.353 2.556 20 0 DFADHM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000436596753 297016700 /nfs/dbraw/zinc/01/67/00/297016700.db2.gz RQCZXCHTYDFCQY-RTBURBONSA-N -1 3 323.392 2.659 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc3c2oc(=O)n3C)c([O-])c1C ZINC000436601464 297017411 /nfs/dbraw/zinc/01/74/11/297017411.db2.gz IJVZFCZYLUQUAG-UHFFFAOYSA-N -1 3 312.325 2.706 20 0 DFADHM C[C@]1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCOC1 ZINC000436612036 297018284 /nfs/dbraw/zinc/01/82/84/297018284.db2.gz XLAHWSOEBYEPFJ-IBGZPJMESA-N -1 3 311.381 2.892 20 0 DFADHM COc1cccc(C(=O)NCC2(C)Cc3ccccc3C2)c1[O-] ZINC000436617601 297018647 /nfs/dbraw/zinc/01/86/47/297018647.db2.gz KYASDDYHYRJATL-UHFFFAOYSA-N -1 3 311.381 2.936 20 0 DFADHM CC[C@H](CNC(=O)c1ccc(O)cc1[O-])Oc1ccccc1C ZINC000436622282 297018783 /nfs/dbraw/zinc/01/87/83/297018783.db2.gz CYOZXLDMZKZQGQ-CQSZACIVSA-N -1 3 315.369 2.994 20 0 DFADHM Cc1cccnc1C(C)(C)CNC(=O)c1c([O-])cccc1O ZINC000436618248 297018821 /nfs/dbraw/zinc/01/88/21/297018821.db2.gz MZJSAOOZCJQWLP-UHFFFAOYSA-N -1 3 300.358 2.509 20 0 DFADHM CC(C)(C)C1CCC(O)(CNC(=O)c2ccc(O)cc2[O-])CC1 ZINC000436627473 297019222 /nfs/dbraw/zinc/01/92/22/297019222.db2.gz TXFUSDBEMCEKBR-UHFFFAOYSA-N -1 3 321.417 2.795 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCC(n3cncn3)CC2)c([O-])c1 ZINC000436630362 297019227 /nfs/dbraw/zinc/01/92/27/297019227.db2.gz NCIVKEWPIVOFNS-UHFFFAOYSA-N -1 3 314.389 2.584 20 0 DFADHM CCCOC1(CNC(=O)c2ccc(O)cc2[O-])CCCCC1 ZINC000436626676 297019328 /nfs/dbraw/zinc/01/93/28/297019328.db2.gz PZXHIYVPHHGHCV-UHFFFAOYSA-N -1 3 307.390 2.957 20 0 DFADHM COc1ccccc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436641986 297020052 /nfs/dbraw/zinc/02/00/52/297020052.db2.gz YLPPAOXPMBKYAI-UHFFFAOYSA-N -1 3 303.314 2.670 20 0 DFADHM CCC(CC)(CC)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436636499 297020097 /nfs/dbraw/zinc/02/00/97/297020097.db2.gz YRJABOIMIGUNDY-UHFFFAOYSA-N -1 3 320.433 2.906 20 0 DFADHM COc1ccc(CN(C)C(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000436636785 297020280 /nfs/dbraw/zinc/02/02/80/297020280.db2.gz SRSZTPMKDQMSMR-UHFFFAOYSA-N -1 3 301.342 2.682 20 0 DFADHM Cc1sc(CNC(=O)c2c([O-])cccc2O)nc1C(C)C ZINC000436647360 297020801 /nfs/dbraw/zinc/02/08/01/297020801.db2.gz JEEFBIAKCDHPFY-UHFFFAOYSA-N -1 3 306.387 2.916 20 0 DFADHM C[C@@H]1CCc2nc(NC(=O)c3c([O-])cccc3O)sc2C1 ZINC000436646346 297020876 /nfs/dbraw/zinc/02/08/76/297020876.db2.gz HPNYZPUMSBKMBI-MRVPVSSYSA-N -1 3 304.371 2.931 20 0 DFADHM CC[C@@H](CNC(=O)c1c([O-])cccc1O)Oc1ccccc1C ZINC000436646558 297020957 /nfs/dbraw/zinc/02/09/57/297020957.db2.gz IDTGUMNSKRAFOR-ZDUSSCGKSA-N -1 3 315.369 2.994 20 0 DFADHM O=C(NCCc1ccc2ccccc2n1)c1c([O-])cccc1O ZINC000436648726 297021522 /nfs/dbraw/zinc/02/15/22/297021522.db2.gz QZLOVDWJZKMRSC-UHFFFAOYSA-N -1 3 308.337 2.619 20 0 DFADHM C[C@@H]1COCC[C@@H]1CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436656603 297021846 /nfs/dbraw/zinc/02/18/46/297021846.db2.gz RBNUOMANPZBAEX-IUODEOHRSA-N -1 3 303.402 2.673 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)CCC(C)C)c([O-])c1 ZINC000436707643 297026895 /nfs/dbraw/zinc/02/68/95/297026895.db2.gz PEPBMKFTPGZWAH-AWEZNQCLSA-N -1 3 320.433 2.761 20 0 DFADHM CCCN(CCN1CCCCC1)C(=O)c1ccc([O-])cc1F ZINC000436652320 297022146 /nfs/dbraw/zinc/02/21/46/297022146.db2.gz LYFZFDRIUGJZQH-UHFFFAOYSA-N -1 3 308.397 2.869 20 0 DFADHM COc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1F ZINC000436662766 297022427 /nfs/dbraw/zinc/02/24/27/297022427.db2.gz JXXVFBRNJASDKY-UHFFFAOYSA-N -1 3 321.304 2.809 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](CCO)C2CCCCC2)cc1[O-] ZINC000436666979 297023122 /nfs/dbraw/zinc/02/31/22/297023122.db2.gz VZHAFVGMDFHTJG-MRXNPFEDSA-N -1 3 319.401 2.656 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2[O-])C1(CC)CC ZINC000436677429 297024146 /nfs/dbraw/zinc/02/41/46/297024146.db2.gz CRIQFAVUESDSQV-HUUCEWRRSA-N -1 3 307.390 2.811 20 0 DFADHM C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436684146 297024680 /nfs/dbraw/zinc/02/46/80/297024680.db2.gz YAJAAJKPJDSWEJ-RYUDHWBXSA-N -1 3 310.825 2.896 20 0 DFADHM Cc1nn(-c2ccccc2)cc1CNC(=O)c1c([O-])cccc1O ZINC000436690771 297025222 /nfs/dbraw/zinc/02/52/22/297025222.db2.gz QWFJNZDYKNTTCU-UHFFFAOYSA-N -1 3 323.352 2.522 20 0 DFADHM CCn1cc(NC(=O)c2ccc(C(C)C)cc2[O-])ccc1=O ZINC000436691539 297025830 /nfs/dbraw/zinc/02/58/30/297025830.db2.gz YSPZIJUWFDPEMK-UHFFFAOYSA-N -1 3 300.358 2.950 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](CO)c2ccc(F)cc2)c([O-])c1C ZINC000436702689 297025957 /nfs/dbraw/zinc/02/59/57/297025957.db2.gz JASUGZQQLILTSS-HNNXBMFYSA-N -1 3 303.333 2.612 20 0 DFADHM CCOC(=O)c1ccc(C(=O)Nc2ccc([O-])cc2F)nc1C ZINC000436749213 297031488 /nfs/dbraw/zinc/03/14/88/297031488.db2.gz IWKIMWTWONHVEN-UHFFFAOYSA-N -1 3 318.304 2.664 20 0 DFADHM O=C(N[C@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000436748848 297031506 /nfs/dbraw/zinc/03/15/06/297031506.db2.gz HVJYYCXHENSONJ-LBPRGKRZSA-N -1 3 300.333 2.540 20 0 DFADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1nc2ccccc2[nH]1 ZINC000436748304 297031554 /nfs/dbraw/zinc/03/15/54/297031554.db2.gz OQLMTYREYIHWAH-GFCCVEGCSA-N -1 3 311.341 2.855 20 0 DFADHM C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCN1C ZINC000436754544 297031881 /nfs/dbraw/zinc/03/18/81/297031881.db2.gz ZJJGAEZRMANFGL-GXSJLCMTSA-N -1 3 316.323 2.624 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c([O-])c1C ZINC000436757342 297031894 /nfs/dbraw/zinc/03/18/94/297031894.db2.gz VJYAMJFNJPBQJP-UHFFFAOYSA-N -1 3 312.369 2.963 20 0 DFADHM COc1cccc([C@@H](C)NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000436755229 297031918 /nfs/dbraw/zinc/03/19/18/297031918.db2.gz MKXCUQPZAVOBHA-LLVKDONJSA-N -1 3 301.342 2.900 20 0 DFADHM COc1cccc([C@@H](C)NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000436757035 297031945 /nfs/dbraw/zinc/03/19/45/297031945.db2.gz FXIYQEGQHDNOOC-LLVKDONJSA-N -1 3 301.342 2.900 20 0 DFADHM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436723716 297028451 /nfs/dbraw/zinc/02/84/51/297028451.db2.gz QSJRCSHZHULDDR-HWPZZCPQSA-N -1 3 319.332 2.743 20 0 DFADHM C[C@@H]1CCC[C@]1(O)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436728673 297028874 /nfs/dbraw/zinc/02/88/74/297028874.db2.gz NHPCDWITIIZWFW-XIKOKIGWSA-N -1 3 303.402 2.552 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@](CO)(C(C)C)C2)c([O-])c1 ZINC000436728491 297028940 /nfs/dbraw/zinc/02/89/40/297028940.db2.gz ADNHTVFAUXENQP-SFHVURJKSA-N -1 3 305.418 2.825 20 0 DFADHM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436725867 297029000 /nfs/dbraw/zinc/02/90/00/297029000.db2.gz VNYCZWYZWMGHES-QFYYESIMSA-N -1 3 319.332 2.743 20 0 DFADHM O=C(NC[C@H]1CCC[C@@H](CO)C1)c1ccc2c(c1[O-])CCCC2 ZINC000436737035 297030034 /nfs/dbraw/zinc/03/00/34/297030034.db2.gz HRKZFYCUYXWTQI-UONOGXRCSA-N -1 3 317.429 2.800 20 0 DFADHM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436739581 297030062 /nfs/dbraw/zinc/03/00/62/297030062.db2.gz OQTIBXMXJWPACY-QFYYESIMSA-N -1 3 319.332 2.743 20 0 DFADHM CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])nc1 ZINC000436743094 297030351 /nfs/dbraw/zinc/03/03/51/297030351.db2.gz WRUGCZJQTLCBPD-UHFFFAOYSA-N -1 3 305.721 2.651 20 0 DFADHM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccccc1[O-] ZINC000436757855 297032549 /nfs/dbraw/zinc/03/25/49/297032549.db2.gz XWVUYMHTGAESAV-GFCCVEGCSA-N -1 3 313.353 2.872 20 0 DFADHM O=C(NCC1(c2ccncc2)CCCC1)c1c([O-])cccc1O ZINC000436765681 297032891 /nfs/dbraw/zinc/03/28/91/297032891.db2.gz XXJWOQCCWBFYLB-UHFFFAOYSA-N -1 3 312.369 2.735 20 0 DFADHM CC(C)(C)c1noc(CCc2nc(-c3ccc([O-])cc3)no2)n1 ZINC000436770074 297033003 /nfs/dbraw/zinc/03/30/03/297033003.db2.gz PWOXIXZQTWMWNB-UHFFFAOYSA-N -1 3 314.345 2.908 20 0 DFADHM Cc1c(-c2nc(-c3ccc([O-])cc3)no2)nnn1-c1ccccc1 ZINC000436770814 297033312 /nfs/dbraw/zinc/03/33/12/297033312.db2.gz UUFLRWURRULNBD-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc([S@@](C)=O)c2)c([O-])c1 ZINC000436824932 297037511 /nfs/dbraw/zinc/03/75/11/297037511.db2.gz JFPNNIJOCBWYFZ-OAQYLSRUSA-N -1 3 303.383 2.944 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](CO)CC2)c([O-])c1 ZINC000436781494 297033734 /nfs/dbraw/zinc/03/37/34/297033734.db2.gz UIQSDOWYJSCEHX-CQSZACIVSA-N -1 3 321.417 2.806 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(O)c2)c1 ZINC000436785756 297033972 /nfs/dbraw/zinc/03/39/72/297033972.db2.gz ANJXUNDMBYGKGW-JTQLQIEISA-N -1 3 314.341 2.547 20 0 DFADHM C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H](C)C1 ZINC000436792105 297034516 /nfs/dbraw/zinc/03/45/16/297034516.db2.gz MFKMPGHXXODUQB-YWPYICTPSA-N -1 3 322.836 2.848 20 0 DFADHM CCc1ccc(C(=O)NC[C@@](C)(CO)c2ccccc2)c([O-])c1 ZINC000436797378 297035330 /nfs/dbraw/zinc/03/53/30/297035330.db2.gz MZURLDDDMNWLJO-IBGZPJMESA-N -1 3 313.397 2.635 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c([O-])c1 ZINC000436809751 297036326 /nfs/dbraw/zinc/03/63/26/297036326.db2.gz PWMRCFCMZASCAL-UHFFFAOYSA-N -1 3 318.760 2.959 20 0 DFADHM Cn1c(NC(=O)c2c([O-])cccc2O)nc2cccc(Cl)c21 ZINC000436825727 297037493 /nfs/dbraw/zinc/03/74/93/297037493.db2.gz HZAGDCBQYSNQIH-UHFFFAOYSA-N -1 3 317.732 2.890 20 0 DFADHM COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(C)c1 ZINC000436823264 297037214 /nfs/dbraw/zinc/03/72/14/297037214.db2.gz TZYXIXDINABXFY-OAHLLOKOSA-N -1 3 319.401 2.942 20 0 DFADHM CNC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436759106 297032248 /nfs/dbraw/zinc/03/22/48/297032248.db2.gz SHTSQTZSLLJWMN-UHFFFAOYSA-N -1 3 312.369 2.929 20 0 DFADHM CS[C@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])C(C)(C)C ZINC000436827883 297037988 /nfs/dbraw/zinc/03/79/88/297037988.db2.gz OZDATDWFKVAVHU-CQSZACIVSA-N -1 3 324.446 2.858 20 0 DFADHM CCc1ccc(C(=O)N2C[C@@H]3CCCCN3C[C@H]2C)c([O-])c1 ZINC000436835303 297038441 /nfs/dbraw/zinc/03/84/41/297038441.db2.gz VIFSRQIPQTYLSW-HIFRSBDPSA-N -1 3 302.418 2.653 20 0 DFADHM CCOC(=O)[C@H](CC)N(C(=O)c1ccc(C)c(C)c1[O-])C1CC1 ZINC000436833919 297038445 /nfs/dbraw/zinc/03/84/45/297038445.db2.gz KLQLLCTWSZXUKV-HNNXBMFYSA-N -1 3 319.401 2.955 20 0 DFADHM CCc1ccc(C(=O)N2CC[C@H](Oc3ccncc3)C2)c([O-])c1 ZINC000436833217 297038648 /nfs/dbraw/zinc/03/86/48/297038648.db2.gz UUTZXBPFAFDMBW-HNNXBMFYSA-N -1 3 312.369 2.643 20 0 DFADHM Cc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)c([O-])c1 ZINC000436839515 297038716 /nfs/dbraw/zinc/03/87/16/297038716.db2.gz PSBFBTVVSWPQNL-UHFFFAOYSA-N -1 3 304.434 2.895 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](CO)c2sccc2C)c([O-])c1 ZINC000436842711 297039157 /nfs/dbraw/zinc/03/91/57/297039157.db2.gz FEMAFILLVKEVNY-ZDUSSCGKSA-N -1 3 305.399 2.788 20 0 DFADHM CCc1nn(C)c(CC)c1CNC(=O)c1ccc(CC)cc1[O-] ZINC000436841355 297039197 /nfs/dbraw/zinc/03/91/97/297039197.db2.gz ZDZLJWHSCHRLMF-UHFFFAOYSA-N -1 3 315.417 2.743 20 0 DFADHM O=C(Nc1csc(-c2ccccn2)n1)c1c([O-])cccc1O ZINC000436843098 297039380 /nfs/dbraw/zinc/03/93/80/297039380.db2.gz GIBGEQZJRSPJRA-UHFFFAOYSA-N -1 3 313.338 2.869 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1[O-] ZINC000436848494 297039536 /nfs/dbraw/zinc/03/95/36/297039536.db2.gz OWMZYJOGNGJMGB-UHFFFAOYSA-N -1 3 313.309 2.618 20 0 DFADHM COc1cc(CN(C)C(=O)c2ccc([O-])c(C)c2)ccc1O ZINC000436901064 297043505 /nfs/dbraw/zinc/04/35/05/297043505.db2.gz LNAKKTMXBCEMFX-UHFFFAOYSA-N -1 3 301.342 2.687 20 0 DFADHM CCSc1cc(CNC(=O)c2c([O-])cccc2O)ccn1 ZINC000436863152 297040874 /nfs/dbraw/zinc/04/08/74/297040874.db2.gz SJYOOTYOBPTRQP-UHFFFAOYSA-N -1 3 304.371 2.535 20 0 DFADHM O=C(N[C@H]1Cc2cccc(O)c2C1)c1cc2c(cc1[O-])CCCC2 ZINC000436882172 297041855 /nfs/dbraw/zinc/04/18/55/297041855.db2.gz XLNYHYKWZZYICO-HNNXBMFYSA-N -1 3 323.392 2.874 20 0 DFADHM O=C(c1ccccc1[O-])N1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000436886517 297042201 /nfs/dbraw/zinc/04/22/01/297042201.db2.gz SJTXBWSZBXKQAD-CYBMUJFWSA-N -1 3 311.385 2.555 20 0 DFADHM Cc1ccccc1NC(=O)Cc1noc(-c2ccccc2[O-])n1 ZINC000436892413 297042379 /nfs/dbraw/zinc/04/23/79/297042379.db2.gz LOSIRAPUKRQAQK-UHFFFAOYSA-N -1 3 309.325 2.932 20 0 DFADHM CCCCOc1ccc(C(=O)NCCN2CC=CCC2)c([O-])c1 ZINC000436898391 297042842 /nfs/dbraw/zinc/04/28/42/297042842.db2.gz AKWLYACTHSOAPT-UHFFFAOYSA-N -1 3 318.417 2.563 20 0 DFADHM C[C@H]1C[C@H](O)CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436896905 297043093 /nfs/dbraw/zinc/04/30/93/297043093.db2.gz UUVANNPAHBXMSK-STQMWFEESA-N -1 3 313.353 2.780 20 0 DFADHM O=C(NCCOC1CCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436825965 297037539 /nfs/dbraw/zinc/03/75/39/297037539.db2.gz IRZIOZGLOIHRBR-UHFFFAOYSA-N -1 3 303.402 2.960 20 0 DFADHM O=C(NC[C@H]1CCCCN1C1CC1)c1ccc(Cl)cc1[O-] ZINC000436906694 297044032 /nfs/dbraw/zinc/04/40/32/297044032.db2.gz DCJWFCWNHKMVHV-CYBMUJFWSA-N -1 3 308.809 2.792 20 0 DFADHM COc1ccccc1OC[C@H](C)CNC(=O)c1ccccc1[O-] ZINC000436915020 297044616 /nfs/dbraw/zinc/04/46/16/297044616.db2.gz MOWDYKDADOCHCM-CYBMUJFWSA-N -1 3 315.369 2.846 20 0 DFADHM COCCOc1cccc(CNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436925728 297045362 /nfs/dbraw/zinc/04/53/62/297045362.db2.gz KYEDNQRURRWKJO-UHFFFAOYSA-N -1 3 315.369 2.656 20 0 DFADHM COCCOc1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436926060 297045482 /nfs/dbraw/zinc/04/54/82/297045482.db2.gz LOVGQKDUHCPMAP-UHFFFAOYSA-N -1 3 301.342 2.978 20 0 DFADHM O=c1cc(C=Cc2ccc(O)c(F)c2)nc(-c2ccncc2)[n-]1 ZINC000436935664 297045799 /nfs/dbraw/zinc/04/57/99/297045799.db2.gz WWMFEDBTWUFJKH-HNQUOIGGSA-N -1 3 309.300 2.847 20 0 DFADHM [O-]c1ccc(-c2noc(-c3cccc(-n4cccn4)n3)n2)cc1 ZINC000436937731 297046339 /nfs/dbraw/zinc/04/63/39/297046339.db2.gz REGPCGRFADSULA-UHFFFAOYSA-N -1 3 305.297 2.690 20 0 DFADHM COc1cccc(CNC(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC000436955320 297047507 /nfs/dbraw/zinc/04/75/07/297047507.db2.gz DLLJKGXZQKOMMO-UHFFFAOYSA-N -1 3 312.369 2.605 20 0 DFADHM CN(C(=O)c1ccc(O)cc1[O-])[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000436964315 297048184 /nfs/dbraw/zinc/04/81/84/297048184.db2.gz FPMWPXQQYJAVFU-MRXNPFEDSA-N -1 3 323.352 2.683 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c([O-])c1 ZINC000436973020 297048781 /nfs/dbraw/zinc/04/87/81/297048781.db2.gz RSXKJQPVOVXCOB-LRDDRELGSA-N -1 3 307.390 2.868 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](C)Cn2ccnc2)c([O-])c1 ZINC000436973689 297048896 /nfs/dbraw/zinc/04/88/96/297048896.db2.gz VAFBRPVSBLEVQN-CYBMUJFWSA-N -1 3 317.389 2.586 20 0 DFADHM COc1cccc(C(=O)N[C@@]2(CO)C[C@H](C)CC(C)(C)C2)c1[O-] ZINC000436982186 297049730 /nfs/dbraw/zinc/04/97/30/297049730.db2.gz TUYNGEPSBFACST-XIKOKIGWSA-N -1 3 321.417 2.708 20 0 DFADHM O=C(N[C@H](CO)c1ccccc1)c1ccc2c(c1[O-])CCCC2 ZINC000436976355 297049414 /nfs/dbraw/zinc/04/94/14/297049414.db2.gz BVMFFWCTNWVELK-QGZVFWFLSA-N -1 3 311.381 2.734 20 0 DFADHM C[C@]1(NC(=O)c2ccc3c(c2[O-])CCCC3)CCO[C@@H]1C1CC1 ZINC000436982618 297049838 /nfs/dbraw/zinc/04/98/38/297049838.db2.gz UJHRXJUFKXSILT-MJGOQNOKSA-N -1 3 315.413 2.958 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H]2CCC[C@H]2CCO)c([O-])c1 ZINC000436981395 297049868 /nfs/dbraw/zinc/04/98/68/297049868.db2.gz CPYHGRYANKOXOI-BBRMVZONSA-N -1 3 321.417 2.852 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@H](O)[C@@H](C)CC)c([O-])c1 ZINC000436984486 297050412 /nfs/dbraw/zinc/05/04/12/297050412.db2.gz FRMGDMMRTIRLKL-BLLLJJGKSA-N -1 3 309.406 2.708 20 0 DFADHM Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000437000279 297051759 /nfs/dbraw/zinc/05/17/59/297051759.db2.gz OXIUREZIKUDZCS-HOCLYGCPSA-N -1 3 315.344 2.788 20 0 DFADHM Cc1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)ccn1 ZINC000437411801 297061334 /nfs/dbraw/zinc/06/13/34/297061334.db2.gz WAEKKKCRMKPYPH-UHFFFAOYSA-N -1 3 304.415 2.910 20 0 DFADHM NC(=O)c1ccc(C(=O)[N-]c2cc(C(F)(F)F)ccc2F)o1 ZINC000438050456 297077936 /nfs/dbraw/zinc/07/79/36/297077936.db2.gz NMGYXRHXHIEVMN-UHFFFAOYSA-N -1 3 316.210 2.789 20 0 DFADHM COc1ccc(C(=O)N(CCN(C)C)C2CCCCC2)c([O-])c1 ZINC000299372989 295080184 /nfs/dbraw/zinc/08/01/84/295080184.db2.gz TWDDUJZENAKIMW-UHFFFAOYSA-N -1 3 320.433 2.737 20 0 DFADHM C[C@@H](CO[N-]C(=O)CCC1CCC1)NC(=O)OC(C)(C)C ZINC000495238668 299913499 /nfs/dbraw/zinc/91/34/99/299913499.db2.gz QGBHVHNOVALFEM-NSHDSACASA-N -1 3 300.399 2.528 20 0 DFADHM CC(C)(C)OC(=O)NCC1(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000495311512 299918468 /nfs/dbraw/zinc/91/84/68/299918468.db2.gz GNPINNSJQGIHAA-UHFFFAOYSA-N -1 3 324.352 2.775 20 0 DFADHM CCc1cccc(C(=O)N(C)CCCn2ccnc2C)c1[O-] ZINC000153980767 295289329 /nfs/dbraw/zinc/28/93/29/295289329.db2.gz PXYMVRMNNIWZRI-UHFFFAOYSA-N -1 3 301.390 2.622 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c([O-])c1C ZINC000154010885 295289984 /nfs/dbraw/zinc/28/99/84/295289984.db2.gz BBSSMYRPKKXVHI-BMFZPTHFSA-N -1 3 301.386 2.696 20 0 DFADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cn(-c2ccccc2)nn1 ZINC000154047669 295291170 /nfs/dbraw/zinc/29/11/70/295291170.db2.gz HGJZKGBHIYDBJX-UHFFFAOYSA-N -1 3 309.329 2.693 20 0 DFADHM COc1ccc(NC(=O)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000154163380 295293164 /nfs/dbraw/zinc/29/31/64/295293164.db2.gz NGGKNKWHNKKVCG-UHFFFAOYSA-N -1 3 320.732 2.631 20 0 DFADHM O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc([O-])cc1F ZINC000154948735 295309835 /nfs/dbraw/zinc/30/98/35/295309835.db2.gz MZSDXJXIMNGDKO-UHFFFAOYSA-N -1 3 317.295 2.519 20 0 DFADHM CC(C)(C)OC(=O)N(CC(=O)Nc1ccccc1[O-])C1CC1 ZINC000156187638 295332526 /nfs/dbraw/zinc/33/25/26/295332526.db2.gz QXDICHZWWGPGAS-UHFFFAOYSA-N -1 3 306.362 2.730 20 0 DFADHM COc1csc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c1 ZINC000157170669 295345570 /nfs/dbraw/zinc/34/55/70/295345570.db2.gz WZSFKDTVWUYDPU-UHFFFAOYSA-N -1 3 308.750 2.705 20 0 DFADHM CCCCc1nnc([N-]C(=O)c2nc(C)ncc2Cl)s1 ZINC000157199926 295345879 /nfs/dbraw/zinc/34/58/79/295345879.db2.gz NPNGATJQLKLULD-UHFFFAOYSA-N -1 3 311.798 2.885 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(C)nc3C)[n-]c21 ZINC000157781335 295353083 /nfs/dbraw/zinc/35/30/83/295353083.db2.gz ZFWZIURCYMAERR-UHFFFAOYSA-N -1 3 324.340 2.614 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C)nc3C)nc21 ZINC000157781335 295353085 /nfs/dbraw/zinc/35/30/85/295353085.db2.gz ZFWZIURCYMAERR-UHFFFAOYSA-N -1 3 324.340 2.614 20 0 DFADHM CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CCC1 ZINC000158780039 295367228 /nfs/dbraw/zinc/36/72/28/295367228.db2.gz BQKRJPUXRNADOX-HNNXBMFYSA-N -1 3 314.385 2.659 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000367500056 295450041 /nfs/dbraw/zinc/45/00/41/295450041.db2.gz JMALFRGCLWNDNJ-GFCCVEGCSA-N -1 3 313.357 2.591 20 0 DFADHM Cc1noc(C)c1CN=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000367954969 295453645 /nfs/dbraw/zinc/45/36/45/295453645.db2.gz FVWYXQBNTJEMLA-UHFFFAOYSA-N -1 3 317.780 2.774 20 0 DFADHM C[C@@H]1CSC[C@@H]1NCc1cccc([O-])c1Br ZINC000397751433 295488453 /nfs/dbraw/zinc/48/84/53/295488453.db2.gz DTEMXFWKYUHUJW-SCZZXKLOSA-N -1 3 302.237 2.996 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCC[C@@H]2CCCC[C@H]2O)cc1[O-] ZINC000412202746 295600172 /nfs/dbraw/zinc/60/01/72/295600172.db2.gz TWXQRMDKPCNTGL-XJKSGUPXSA-N -1 3 319.401 2.656 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCC[C@H]2CCCC[C@H]2O)cc1[O-] ZINC000412202744 295600199 /nfs/dbraw/zinc/60/01/99/295600199.db2.gz TWXQRMDKPCNTGL-CZUORRHYSA-N -1 3 319.401 2.656 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H](C(C)C)[C@H](CO)C(C)C)cc1[O-] ZINC000412381391 295617799 /nfs/dbraw/zinc/61/77/99/295617799.db2.gz TWEHYKWSKAXLOD-WBVHZDCISA-N -1 3 321.417 2.614 20 0 DFADHM CC(C)[C@@H]1CCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000412385825 295618187 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O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc(O)cc1[O-] ZINC000439052258 297113265 /nfs/dbraw/zinc/11/32/65/297113265.db2.gz DQBMDEIOTSQJKM-SUMWQHHRSA-N -1 3 313.353 2.605 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cncs2)c(F)c1 ZINC000439200639 297118463 /nfs/dbraw/zinc/11/84/63/297118463.db2.gz PQAXIIMXEDARSF-VIFPVBQESA-N -1 3 300.380 2.630 20 0 DFADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCC[C@H](O)C1 ZINC000439338413 297123606 /nfs/dbraw/zinc/12/36/06/297123606.db2.gz FKVADFOFWQDUPT-WPRPVWTQSA-N -1 3 303.280 2.901 20 0 DFADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCC[C@@H](O)C1 ZINC000439338410 297123658 /nfs/dbraw/zinc/12/36/58/297123658.db2.gz FKVADFOFWQDUPT-PSASIEDQSA-N -1 3 303.280 2.901 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000440381376 297151000 /nfs/dbraw/zinc/15/10/00/297151000.db2.gz CTEUTMBYIIERMY-NXEZZACHSA-N -1 3 319.748 2.592 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@@H]2CCCO2)c(F)cc1F ZINC000440389671 297151478 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COC(=O)c1c(C)[n-]c(=O)nc1SCC1CCC(C)CC1 ZINC000183244165 316135325 /nfs/dbraw/zinc/13/53/25/316135325.db2.gz VBMNNWRRVKHDNS-UHFFFAOYSA-N -1 3 310.419 2.783 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2cc(CC)c(CC)o2)[n-]n1 ZINC000183283282 316136392 /nfs/dbraw/zinc/13/63/92/316136392.db2.gz QQKUEKFLWGAHKD-UHFFFAOYSA-N -1 3 305.334 2.557 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2cc(CC)c(CC)o2)n[n-]1 ZINC000183283282 316136389 /nfs/dbraw/zinc/13/63/89/316136389.db2.gz QQKUEKFLWGAHKD-UHFFFAOYSA-N -1 3 305.334 2.557 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)n[n-]1 ZINC000183278199 316136684 /nfs/dbraw/zinc/13/66/84/316136684.db2.gz OXLIUZRXCZYVMN-NXEZZACHSA-N -1 3 319.386 2.699 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)[n-]n1 ZINC000183278199 316136687 /nfs/dbraw/zinc/13/66/87/316136687.db2.gz OXLIUZRXCZYVMN-NXEZZACHSA-N -1 3 319.386 2.699 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)c2ccc3nnn(C)c3c2)c1[O-] ZINC000183526426 316145121 /nfs/dbraw/zinc/14/51/21/316145121.db2.gz OOPHLHNLOAASQV-UHFFFAOYSA-N 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ZINC000527591565 317751256 /nfs/dbraw/zinc/75/12/56/317751256.db2.gz VMKKAYILYOTBBR-UHFFFAOYSA-N -1 3 315.354 2.918 20 0 DFADHM CC(C)(C)c1csc([N-]C(=O)c2noc3c2COCC3)n1 ZINC000527590929 317751289 /nfs/dbraw/zinc/75/12/89/317751289.db2.gz IFSJZDCRRDWRFD-UHFFFAOYSA-N -1 3 307.375 2.754 20 0 DFADHM COc1cc(C(=O)Nc2cccc([O-])c2F)cc2c1OCCO2 ZINC000535658018 317807672 /nfs/dbraw/zinc/80/76/72/317807672.db2.gz JAFXSFNHWZBCOM-UHFFFAOYSA-N -1 3 319.288 2.563 20 0 DFADHM Cc1ccc(CS(=O)(=O)[N-]Cc2cnc(C3CC3)o2)cc1F ZINC000560310942 317894821 /nfs/dbraw/zinc/89/48/21/317894821.db2.gz NIVIAEMGSSKCHD-UHFFFAOYSA-N -1 3 324.377 2.619 20 0 DFADHM CCc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000565306230 317918657 /nfs/dbraw/zinc/91/86/57/317918657.db2.gz YVYPZAMWDIMMHN-GDBMZVCRSA-N -1 3 303.402 2.986 20 0 DFADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)o1 ZINC000571124546 317976871 /nfs/dbraw/zinc/97/68/71/317976871.db2.gz IFTILFIIEXEZGB-GFCCVEGCSA-N -1 3 323.418 2.651 20 0 DFADHM 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599123168 /nfs/dbraw/zinc/12/31/68/599123168.db2.gz BTBBADYWMSTYME-UHFFFAOYSA-N -1 3 321.475 2.904 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)C(C)(C)C ZINC000737293590 599146369 /nfs/dbraw/zinc/14/63/69/599146369.db2.gz FZGMFQUANNNWKV-LLVKDONJSA-N -1 3 316.409 2.979 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)C(C)(C)C ZINC000737293590 599146371 /nfs/dbraw/zinc/14/63/71/599146371.db2.gz FZGMFQUANNNWKV-LLVKDONJSA-N -1 3 316.409 2.979 20 0 DFADHM Cc1nc(C)c(CSc2cc(-c3nnn[n-]3)ccn2)s1 ZINC000737473113 599165216 /nfs/dbraw/zinc/16/52/16/599165216.db2.gz DXPRHMIIVAARJM-UHFFFAOYSA-N -1 3 304.404 2.627 20 0 DFADHM Cc1nc(C)c(CSc2cc(-c3nn[n-]n3)ccn2)s1 ZINC000737473113 599165217 /nfs/dbraw/zinc/16/52/17/599165217.db2.gz DXPRHMIIVAARJM-UHFFFAOYSA-N -1 3 304.404 2.627 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000820741364 599206098 /nfs/dbraw/zinc/20/60/98/599206098.db2.gz CGUVKVHSPSRXSI-MLGOLLRUSA-N -1 3 319.368 2.700 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000820741364 599206100 /nfs/dbraw/zinc/20/61/00/599206100.db2.gz CGUVKVHSPSRXSI-MLGOLLRUSA-N -1 3 319.368 2.700 20 0 DFADHM C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000820742321 599208758 /nfs/dbraw/zinc/20/87/58/599208758.db2.gz JJUAFNDOPWRUKA-MLGOLLRUSA-N -1 3 319.368 2.700 20 0 DFADHM C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000820742321 599208760 /nfs/dbraw/zinc/20/87/60/599208760.db2.gz JJUAFNDOPWRUKA-MLGOLLRUSA-N -1 3 319.368 2.700 20 0 DFADHM CCC/C=C\C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736440010 599221243 /nfs/dbraw/zinc/22/12/43/599221243.db2.gz WXXMANDIKYMNME-DJTUGOFGSA-N -1 3 316.361 2.534 20 0 DFADHM CCC/C=C\C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736440010 599221244 /nfs/dbraw/zinc/22/12/44/599221244.db2.gz WXXMANDIKYMNME-DJTUGOFGSA-N -1 3 316.361 2.534 20 0 DFADHM CC(C)Oc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735913721 599223269 /nfs/dbraw/zinc/22/32/69/599223269.db2.gz PIKRATVIXCDOQI-UHFFFAOYSA-N -1 3 324.340 2.873 20 0 DFADHM CC(C)Oc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735913721 599223271 /nfs/dbraw/zinc/22/32/71/599223271.db2.gz PIKRATVIXCDOQI-UHFFFAOYSA-N -1 3 324.340 2.873 20 0 DFADHM CC1(C)CN(c2ccc(Cl)cc2-c2nnn[n-]2)CCCO1 ZINC000736212568 599230794 /nfs/dbraw/zinc/23/07/94/599230794.db2.gz ADZQRUIOXXRDFQ-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM CC1(C)CN(c2ccc(Cl)cc2-c2nn[n-]n2)CCCO1 ZINC000736212568 599230795 /nfs/dbraw/zinc/23/07/95/599230795.db2.gz ADZQRUIOXXRDFQ-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM Cc1c(NC(=O)CCc2cccs2)cccc1-c1nnn[n-]1 ZINC000822067398 607267015 /nfs/dbraw/zinc/26/70/15/607267015.db2.gz JNAGEDKGQCFDJR-UHFFFAOYSA-N -1 3 313.386 2.808 20 0 DFADHM Cc1c(NC(=O)CCc2cccs2)cccc1-c1nn[n-]n1 ZINC000822067398 607267016 /nfs/dbraw/zinc/26/70/16/607267016.db2.gz JNAGEDKGQCFDJR-UHFFFAOYSA-N -1 3 313.386 2.808 20 0 DFADHM Cc1ccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822263230 607267572 /nfs/dbraw/zinc/26/75/72/607267572.db2.gz JRVDRZBSNSEVQP-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1ccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822263230 607267573 /nfs/dbraw/zinc/26/75/73/607267573.db2.gz JRVDRZBSNSEVQP-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM CCC1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000820989050 607280994 /nfs/dbraw/zinc/28/09/94/607280994.db2.gz KZFFRQRKPXOWLR-UHFFFAOYSA-N -1 3 314.393 2.829 20 0 DFADHM CCC1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000820989050 607280995 /nfs/dbraw/zinc/28/09/95/607280995.db2.gz KZFFRQRKPXOWLR-UHFFFAOYSA-N -1 3 314.393 2.829 20 0 DFADHM Cc1c(NC(=O)N(C)[C@H](C)C2(C)CC2)cccc1-c1nnn[n-]1 ZINC000822076235 607282083 /nfs/dbraw/zinc/28/20/83/607282083.db2.gz MVKMMDUXBPWCFV-LLVKDONJSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N(C)[C@H](C)C2(C)CC2)cccc1-c1nn[n-]n1 ZINC000822076235 607282084 /nfs/dbraw/zinc/28/20/84/607282084.db2.gz MVKMMDUXBPWCFV-LLVKDONJSA-N -1 3 314.393 2.827 20 0 DFADHM CN(Cc1ccc(Cl)s1)c1cnccc1-c1nn[n-]n1 ZINC000825965678 607838655 /nfs/dbraw/zinc/83/86/55/607838655.db2.gz BVBDVPNSCLEERJ-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)C1CCCC1 ZINC000821155502 607291342 /nfs/dbraw/zinc/29/13/42/607291342.db2.gz ZWGPVOFNYKBLBF-UHFFFAOYSA-N -1 3 314.393 2.972 20 0 DFADHM CCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)C1CCCC1 ZINC000821155502 607291343 /nfs/dbraw/zinc/29/13/43/607291343.db2.gz ZWGPVOFNYKBLBF-UHFFFAOYSA-N -1 3 314.393 2.972 20 0 DFADHM CCn1c(C)cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1C ZINC000821563959 607294671 /nfs/dbraw/zinc/29/46/71/607294671.db2.gz NNXVIJKKTOIGNR-UHFFFAOYSA-N -1 3 324.388 2.866 20 0 DFADHM CCn1c(C)cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1C ZINC000821563959 607294672 /nfs/dbraw/zinc/29/46/72/607294672.db2.gz NNXVIJKKTOIGNR-UHFFFAOYSA-N -1 3 324.388 2.866 20 0 DFADHM CN(C)c1cccc(CN(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821590887 607306971 /nfs/dbraw/zinc/30/69/71/607306971.db2.gz KMKSZOBFFIUPHY-UHFFFAOYSA-N -1 3 308.389 2.569 20 0 DFADHM COc1ccc(C)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821782992 607310587 /nfs/dbraw/zinc/31/05/87/607310587.db2.gz UYIMTGSMUGZGQY-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM COc1ccc(C)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821782992 607310588 /nfs/dbraw/zinc/31/05/88/607310588.db2.gz UYIMTGSMUGZGQY-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000821835960 607311432 /nfs/dbraw/zinc/31/14/32/607311432.db2.gz VLYXPNAIVTYMMW-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM CC=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820826293 607303573 /nfs/dbraw/zinc/30/35/73/607303573.db2.gz MALUSSJOHZBWFV-FPYGCLRLSA-N -1 3 303.391 2.712 20 0 DFADHM C/C=C(\C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820826293 607303574 /nfs/dbraw/zinc/30/35/74/607303574.db2.gz MALUSSJOHZBWFV-FPYGCLRLSA-N -1 3 303.391 2.712 20 0 DFADHM Fc1ccc(N(Cc2ccccn2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000822778500 607304063 /nfs/dbraw/zinc/30/40/63/607304063.db2.gz JNLAMXOOCRCMOX-UHFFFAOYSA-N -1 3 310.336 2.570 20 0 DFADHM Fc1ccc(N(Cc2ccccn2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000822778500 607304064 /nfs/dbraw/zinc/30/40/64/607304064.db2.gz JNLAMXOOCRCMOX-UHFFFAOYSA-N -1 3 310.336 2.570 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCC1CCCC1 ZINC000737410815 599270125 /nfs/dbraw/zinc/27/01/25/599270125.db2.gz UAMAWISCEMKPAG-UHFFFAOYSA-N -1 3 308.389 2.747 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCC1CCCC1 ZINC000737410815 599270129 /nfs/dbraw/zinc/27/01/29/599270129.db2.gz UAMAWISCEMKPAG-UHFFFAOYSA-N -1 3 308.389 2.747 20 0 DFADHM C[C@H]1CN(CCCCC(=O)[O-])CCN1c1nc2ccccc2o1 ZINC000737761649 597776618 /nfs/dbraw/zinc/77/66/18/597776618.db2.gz CCKAYEZAKORBBC-ZDUSSCGKSA-N -1 3 317.389 2.593 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CC ZINC000736489365 599278148 /nfs/dbraw/zinc/27/81/48/599278148.db2.gz ZYWPDNKPCAIHRF-JTQLQIEISA-N -1 3 302.382 2.673 20 0 DFADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)Nc1ccccc1 ZINC000737222416 599283496 /nfs/dbraw/zinc/28/34/96/599283496.db2.gz YQIUJLIWELLYEE-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM COC(=O)C[C@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736912553 599290269 /nfs/dbraw/zinc/29/02/69/599290269.db2.gz OXZCZOPFOQDDTF-UWVGGRQHSA-N -1 3 306.391 2.613 20 0 DFADHM COC(=O)C[C@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736912553 599290271 /nfs/dbraw/zinc/29/02/71/599290271.db2.gz OXZCZOPFOQDDTF-UWVGGRQHSA-N -1 3 306.391 2.613 20 0 DFADHM CCn1ccnc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736721185 599290340 /nfs/dbraw/zinc/29/03/40/599290340.db2.gz CBAQTYQTVUZCQI-JTQLQIEISA-N -1 3 300.391 2.936 20 0 DFADHM CCn1ccnc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736721185 599290341 /nfs/dbraw/zinc/29/03/41/599290341.db2.gz CBAQTYQTVUZCQI-JTQLQIEISA-N -1 3 300.391 2.936 20 0 DFADHM CCn1ccnc1S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736721187 599290582 /nfs/dbraw/zinc/29/05/82/599290582.db2.gz CBAQTYQTVUZCQI-SNVBAGLBSA-N -1 3 300.391 2.936 20 0 DFADHM CCn1ccnc1S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736721187 599290583 /nfs/dbraw/zinc/29/05/83/599290583.db2.gz CBAQTYQTVUZCQI-SNVBAGLBSA-N -1 3 300.391 2.936 20 0 DFADHM CC[C@H](Cc1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC000820913443 607327082 /nfs/dbraw/zinc/32/70/82/607327082.db2.gz FUOSWZAPGPYJNH-CQSZACIVSA-N -1 3 308.389 2.719 20 0 DFADHM CC[C@H](Cc1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC000820913443 607327083 /nfs/dbraw/zinc/32/70/83/607327083.db2.gz FUOSWZAPGPYJNH-CQSZACIVSA-N -1 3 308.389 2.719 20 0 DFADHM CC[C@@H](NC1CCC(C(=O)[O-])CC1)c1nnc2n1CCCCC2 ZINC000820285029 598115491 /nfs/dbraw/zinc/11/54/91/598115491.db2.gz MFJHQAWACRSLOP-JXQTWKCFSA-N -1 3 320.437 2.689 20 0 DFADHM Cc1cn(CCOc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000822385157 607329918 /nfs/dbraw/zinc/32/99/18/607329918.db2.gz YOKCHJNXQIMJKD-UHFFFAOYSA-N -1 3 303.753 2.709 20 0 DFADHM Cc1cn(CCOc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000822385157 607329919 /nfs/dbraw/zinc/32/99/19/607329919.db2.gz YOKCHJNXQIMJKD-UHFFFAOYSA-N -1 3 303.753 2.709 20 0 DFADHM COc1ccc(Cl)cc1Cn1cc(C)c(-c2nnn[n-]2)c1 ZINC000821827491 607330143 /nfs/dbraw/zinc/33/01/43/607330143.db2.gz CRSUDLSCIBKSCX-UHFFFAOYSA-N -1 3 303.753 2.687 20 0 DFADHM COc1ccc(Cl)cc1Cn1cc(C)c(-c2nn[n-]n2)c1 ZINC000821827491 607330144 /nfs/dbraw/zinc/33/01/44/607330144.db2.gz CRSUDLSCIBKSCX-UHFFFAOYSA-N -1 3 303.753 2.687 20 0 DFADHM Cc1cscc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826321270 607339388 /nfs/dbraw/zinc/33/93/88/607339388.db2.gz YDRDLIUWSVVYRY-SREVYHEPSA-N -1 3 311.370 2.889 20 0 DFADHM Cc1cscc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826321270 607339390 /nfs/dbraw/zinc/33/93/90/607339390.db2.gz YDRDLIUWSVVYRY-SREVYHEPSA-N -1 3 311.370 2.889 20 0 DFADHM COC(=O)c1oc([C@@H](C)N2CCC[C@@H](CC(=O)[O-])C2)cc1C ZINC000820693804 598172311 /nfs/dbraw/zinc/17/23/11/598172311.db2.gz GZRXCLCXVWJYTG-NEPJUHHUSA-N -1 3 309.362 2.622 20 0 DFADHM Cc1cc2ncc([C@H](C)NCc3cccc(C(=O)[O-])c3)c(C)n2n1 ZINC000821052759 598192276 /nfs/dbraw/zinc/19/22/76/598192276.db2.gz VGAWBRDQWDJNPT-LBPRGKRZSA-N -1 3 324.384 2.895 20 0 DFADHM CC(C)[C@H](N[C@@H](C)c1ncc(Br)s1)C(=O)[O-] ZINC000820154388 598196746 /nfs/dbraw/zinc/19/67/46/598196746.db2.gz NLQOENMGHPHMNN-XPUUQOCRSA-N -1 3 307.213 2.665 20 0 DFADHM NC(=O)c1ccc(CN(Cc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC000263495339 598210688 /nfs/dbraw/zinc/21/06/88/598210688.db2.gz SPJOWUBDZUTOEU-UHFFFAOYSA-N -1 3 324.380 2.648 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NCCCOc1ccccc1 ZINC000737639440 598236277 /nfs/dbraw/zinc/23/62/77/598236277.db2.gz BEHVMUOQYBQKTC-UHFFFAOYSA-N -1 3 313.336 2.887 20 0 DFADHM Fc1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737656830 598237307 /nfs/dbraw/zinc/23/73/07/598237307.db2.gz PIWFIHCONAFTEF-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Cc1cc(CNc2cccc(F)c2-c2nnn[n-]2)cc(C)c1O ZINC000737265626 598239703 /nfs/dbraw/zinc/23/97/03/598239703.db2.gz YHACNQMYOWZXDD-UHFFFAOYSA-N -1 3 313.336 2.940 20 0 DFADHM Cc1cc(CNc2cccc(F)c2-c2nn[n-]n2)cc(C)c1O ZINC000737265626 598239705 /nfs/dbraw/zinc/23/97/05/598239705.db2.gz YHACNQMYOWZXDD-UHFFFAOYSA-N -1 3 313.336 2.940 20 0 DFADHM CC[C@@H](C)[C@H](C)N(C(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736329236 598240787 /nfs/dbraw/zinc/24/07/87/598240787.db2.gz JIGSCSBBOUBBOD-NEPJUHHUSA-N -1 3 313.405 2.906 20 0 DFADHM CC[C@@H](C)[C@H](C)N(C(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736329236 598240789 /nfs/dbraw/zinc/24/07/89/598240789.db2.gz JIGSCSBBOUBBOD-NEPJUHHUSA-N -1 3 313.405 2.906 20 0 DFADHM Cc1cccc2c1CC[C@@H]2Nc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000737409690 598244708 /nfs/dbraw/zinc/24/47/08/598244708.db2.gz QLLDTIIJJQYPJZ-AWEZNQCLSA-N -1 3 321.388 2.681 20 0 DFADHM Cc1cccc2c1CC[C@@H]2Nc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000737409690 598244710 /nfs/dbraw/zinc/24/47/10/598244710.db2.gz QLLDTIIJJQYPJZ-AWEZNQCLSA-N -1 3 321.388 2.681 20 0 DFADHM CCN(Cc1c(F)cccc1F)c1ncccc1-c1nnn[n-]1 ZINC000736555979 598246258 /nfs/dbraw/zinc/24/62/58/598246258.db2.gz RPYMYKCBDLSEIL-UHFFFAOYSA-N -1 3 316.315 2.566 20 0 DFADHM CCN(Cc1c(F)cccc1F)c1ncccc1-c1nn[n-]n1 ZINC000736555979 598246259 /nfs/dbraw/zinc/24/62/59/598246259.db2.gz 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/nfs/dbraw/zinc/54/77/88/599547788.db2.gz CLDHTULGWJNFIX-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736326704 599547790 /nfs/dbraw/zinc/54/77/90/599547790.db2.gz CLDHTULGWJNFIX-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM Cc1ccc([C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737320467 599551149 /nfs/dbraw/zinc/55/11/49/599551149.db2.gz KUIVXKJKFOBAOK-ZDUSSCGKSA-N -1 3 321.384 2.709 20 0 DFADHM Cc1ccc([C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737320467 599551151 /nfs/dbraw/zinc/55/11/51/599551151.db2.gz KUIVXKJKFOBAOK-ZDUSSCGKSA-N -1 3 321.384 2.709 20 0 DFADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820684815 599557270 /nfs/dbraw/zinc/55/72/70/599557270.db2.gz SFYXFVBJCBCXOR-QWRGUYRKSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820684815 599557272 /nfs/dbraw/zinc/55/72/72/599557272.db2.gz SFYXFVBJCBCXOR-QWRGUYRKSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820686041 599557910 /nfs/dbraw/zinc/55/79/10/599557910.db2.gz WMJDHBLCNYZZMX-GHMZBOCLSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820686041 599557912 /nfs/dbraw/zinc/55/79/12/599557912.db2.gz WMJDHBLCNYZZMX-GHMZBOCLSA-N -1 3 300.366 2.519 20 0 DFADHM CN(c1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCc2ccccc2C1 ZINC000821618927 599557941 /nfs/dbraw/zinc/55/79/41/599557941.db2.gz BPPHZYJAIIWNJE-HNNXBMFYSA-N -1 3 323.375 3.000 20 0 DFADHM CN(c1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCc2ccccc2C1 ZINC000821618927 599557942 /nfs/dbraw/zinc/55/79/42/599557942.db2.gz BPPHZYJAIIWNJE-HNNXBMFYSA-N -1 3 323.375 3.000 20 0 DFADHM C[C@H](O)CC(C)(C)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820473988 599584452 /nfs/dbraw/zinc/58/44/52/599584452.db2.gz OWOUTQDFHANJLV-VIFPVBQESA-N -1 3 309.801 2.729 20 0 DFADHM C[C@H](O)CC(C)(C)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820473988 599584456 /nfs/dbraw/zinc/58/44/56/599584456.db2.gz OWOUTQDFHANJLV-VIFPVBQESA-N -1 3 309.801 2.729 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OC[C@H](C)C(F)(F)F ZINC000826252342 607385453 /nfs/dbraw/zinc/38/54/53/607385453.db2.gz ZTDJGCWTMQXSGB-QMMMGPOBSA-N -1 3 314.267 2.530 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OC[C@H](C)C(F)(F)F ZINC000826252342 607385455 /nfs/dbraw/zinc/38/54/55/607385455.db2.gz ZTDJGCWTMQXSGB-QMMMGPOBSA-N -1 3 314.267 2.530 20 0 DFADHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)c1nccs1 ZINC000736372122 599599074 /nfs/dbraw/zinc/59/90/74/599599074.db2.gz VHGQKOZUWKYTHN-GFCCVEGCSA-N -1 3 300.391 2.564 20 0 DFADHM Cc1cccc(C)c1COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737391347 599604301 /nfs/dbraw/zinc/60/43/01/599604301.db2.gz YDZDDHHAVUPUOV-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM Cc1cccc(C)c1COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737391347 599604302 /nfs/dbraw/zinc/60/43/02/599604302.db2.gz YDZDDHHAVUPUOV-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM CC[C@@H](C)OC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736328465 599605246 /nfs/dbraw/zinc/60/52/46/599605246.db2.gz XDROCVYPWMKTTJ-RISCZKNCSA-N -1 3 318.377 2.612 20 0 DFADHM CC[C@@H](C)OC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736328465 599605248 /nfs/dbraw/zinc/60/52/48/599605248.db2.gz XDROCVYPWMKTTJ-RISCZKNCSA-N -1 3 318.377 2.612 20 0 DFADHM CC(C)(C)CCC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000735603719 599606862 /nfs/dbraw/zinc/60/68/62/599606862.db2.gz OONDRKAYGIFHGS-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CC(C)(C)CCC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000735603719 599606865 /nfs/dbraw/zinc/60/68/65/599606865.db2.gz OONDRKAYGIFHGS-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CCN(C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000736506325 599608906 /nfs/dbraw/zinc/60/89/06/599608906.db2.gz UNFKOXPISYHCTQ-NSHDSACASA-N -1 3 314.393 2.512 20 0 DFADHM CCN(C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000736506325 599608907 /nfs/dbraw/zinc/60/89/07/599608907.db2.gz UNFKOXPISYHCTQ-NSHDSACASA-N -1 3 314.393 2.512 20 0 DFADHM C[C@@H](OC(=O)[C@H](C)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820479750 599622176 /nfs/dbraw/zinc/62/21/76/599622176.db2.gz BUGPTIIGRNNJPY-JGVFFNPUSA-N -1 3 314.267 2.669 20 0 DFADHM C[C@@H](OC(=O)[C@H](C)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820479750 599622175 /nfs/dbraw/zinc/62/21/75/599622175.db2.gz BUGPTIIGRNNJPY-JGVFFNPUSA-N -1 3 314.267 2.669 20 0 DFADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CC1CCC1 ZINC000819975758 599630289 /nfs/dbraw/zinc/63/02/89/599630289.db2.gz BNYWSVZUDIXFIS-UHFFFAOYSA-N -1 3 302.382 2.552 20 0 DFADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CC1CCC1 ZINC000819975758 599630290 /nfs/dbraw/zinc/63/02/90/599630290.db2.gz BNYWSVZUDIXFIS-UHFFFAOYSA-N -1 3 302.382 2.552 20 0 DFADHM Cc1cccc(C)c1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822293824 599631523 /nfs/dbraw/zinc/63/15/23/599631523.db2.gz MUNSQHNEASUUGF-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cccc(C)c1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822293824 599631522 /nfs/dbraw/zinc/63/15/22/599631522.db2.gz MUNSQHNEASUUGF-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819898685 599632388 /nfs/dbraw/zinc/63/23/88/599632388.db2.gz HVVZMIZCPKJCSR-UHFFFAOYSA-N -1 3 313.283 2.870 20 0 DFADHM CC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819898685 599632389 /nfs/dbraw/zinc/63/23/89/599632389.db2.gz HVVZMIZCPKJCSR-UHFFFAOYSA-N -1 3 313.283 2.870 20 0 DFADHM Cc1cccc(C)c1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822293791 599634971 /nfs/dbraw/zinc/63/49/71/599634971.db2.gz LTORXJQEBURQLW-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cccc(C)c1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822293791 599634972 /nfs/dbraw/zinc/63/49/72/599634972.db2.gz LTORXJQEBURQLW-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM O=C(OCCCC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823400998 599649238 /nfs/dbraw/zinc/64/92/38/599649238.db2.gz NGRXZHKDXGQCMO-UHFFFAOYSA-N -1 3 300.362 2.994 20 0 DFADHM O=C(OCCCC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823400998 599649239 /nfs/dbraw/zinc/64/92/39/599649239.db2.gz NGRXZHKDXGQCMO-UHFFFAOYSA-N -1 3 300.362 2.994 20 0 DFADHM CCc1ccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821480995 599663402 /nfs/dbraw/zinc/66/34/02/599663402.db2.gz HCYOAVQCGQQSSG-UHFFFAOYSA-N -1 3 322.368 2.715 20 0 DFADHM CCc1ccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821480995 599663403 /nfs/dbraw/zinc/66/34/03/599663403.db2.gz HCYOAVQCGQQSSG-UHFFFAOYSA-N -1 3 322.368 2.715 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820690613 599664038 /nfs/dbraw/zinc/66/40/38/599664038.db2.gz OTQDFHLFRXTMAR-CMPLNLGQSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820690613 599664039 /nfs/dbraw/zinc/66/40/39/599664039.db2.gz OTQDFHLFRXTMAR-CMPLNLGQSA-N -1 3 318.352 2.875 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820966693 599692493 /nfs/dbraw/zinc/69/24/93/599692493.db2.gz GTAVNVREVZNPKK-GXFFZTMASA-N -1 3 314.393 2.827 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820966693 599692494 /nfs/dbraw/zinc/69/24/94/599692494.db2.gz GTAVNVREVZNPKK-GXFFZTMASA-N -1 3 314.393 2.827 20 0 DFADHM CC(C)c1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000820187605 607393026 /nfs/dbraw/zinc/39/30/26/607393026.db2.gz JKSIIPBIKFKRKA-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM CC(C)c1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000820187605 607393028 /nfs/dbraw/zinc/39/30/28/607393028.db2.gz JKSIIPBIKFKRKA-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM CCCC(=O)NC[C@@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000736952983 599784517 /nfs/dbraw/zinc/78/45/17/599784517.db2.gz YXINSDBANDACGB-OLZOCXBDSA-N -1 3 322.405 2.667 20 0 DFADHM CC(C)CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820051043 607401435 /nfs/dbraw/zinc/40/14/35/607401435.db2.gz JPDPGYLIUVUNDE-UHFFFAOYSA-N -1 3 303.366 2.639 20 0 DFADHM CC(C)CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820051043 607401436 /nfs/dbraw/zinc/40/14/36/607401436.db2.gz JPDPGYLIUVUNDE-UHFFFAOYSA-N -1 3 303.366 2.639 20 0 DFADHM COc1ccc([C@H](NCc2ccc(F)c(F)c2)C(=O)[O-])cc1 ZINC000737971239 599858021 /nfs/dbraw/zinc/85/80/21/599858021.db2.gz QXIGZLCYQQXBLP-HNNXBMFYSA-N -1 3 307.296 2.889 20 0 DFADHM COc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826219028 607412747 /nfs/dbraw/zinc/41/27/47/607412747.db2.gz QVQZLDCCVFWHHY-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826219028 607412749 /nfs/dbraw/zinc/41/27/49/607412749.db2.gz QVQZLDCCVFWHHY-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1CCCC(C)(C)C1 ZINC000826358344 607415078 /nfs/dbraw/zinc/41/50/78/607415078.db2.gz PTWJRGWLBGHIKO-LLVKDONJSA-N -1 3 317.393 2.578 20 0 DFADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1CCCC(C)(C)C1 ZINC000826358344 607415080 /nfs/dbraw/zinc/41/50/80/607415080.db2.gz PTWJRGWLBGHIKO-LLVKDONJSA-N -1 3 317.393 2.578 20 0 DFADHM O=C([O-])C[C@@H]1CCCCN1Cn1ccc(-c2ccsc2)n1 ZINC000739638873 600074664 /nfs/dbraw/zinc/07/46/64/600074664.db2.gz CZNYAFBNZFOQFG-ZDUSSCGKSA-N -1 3 305.403 2.898 20 0 DFADHM CN(C)CCN(C(=O)c1ccc(C(=O)[O-])s1)C1CCCCC1 ZINC000737370385 600173848 /nfs/dbraw/zinc/17/38/48/600173848.db2.gz PWUOZCYWPFPDDN-UHFFFAOYSA-N -1 3 324.446 2.783 20 0 DFADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC000824039318 607432707 /nfs/dbraw/zinc/43/27/07/607432707.db2.gz DGCHOMXIJNOXND-JTQLQIEISA-N -1 3 313.386 2.695 20 0 DFADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000824039318 607432710 /nfs/dbraw/zinc/43/27/10/607432710.db2.gz DGCHOMXIJNOXND-JTQLQIEISA-N -1 3 313.386 2.695 20 0 DFADHM CCC[C@@](C)(NCc1nccn1Cc1ccccc1)C(=O)[O-] ZINC000736958395 600323912 /nfs/dbraw/zinc/32/39/12/600323912.db2.gz ARVOAAIQXQQUBH-QGZVFWFLSA-N -1 3 301.390 2.664 20 0 DFADHM CCc1cc(C)c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825700843 607438124 /nfs/dbraw/zinc/43/81/24/607438124.db2.gz VTLXFNFNXUBRIR-UHFFFAOYSA-N -1 3 311.345 2.607 20 0 DFADHM CCc1cc(C)c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825700843 607438126 /nfs/dbraw/zinc/43/81/26/607438126.db2.gz VTLXFNFNXUBRIR-UHFFFAOYSA-N -1 3 311.345 2.607 20 0 DFADHM Cc1cc(F)cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826268230 607439266 /nfs/dbraw/zinc/43/92/66/607439266.db2.gz PBYFRKPBRBZCHY-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cc(F)cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826268230 607439268 /nfs/dbraw/zinc/43/92/68/607439268.db2.gz PBYFRKPBRBZCHY-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CCN(CC[S@@](=O)c1cc(Cl)ccc1Cl)CC(=O)[O-] ZINC000737101852 600404836 /nfs/dbraw/zinc/40/48/36/600404836.db2.gz KFKARTTZUOGKMK-LJQANCHMSA-N -1 3 324.229 2.508 20 0 DFADHM CC[C@@H]1CCCCCN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736942489 600574259 /nfs/dbraw/zinc/57/42/59/600574259.db2.gz UQJOMKBOWRQCFR-OAHLLOKOSA-N -1 3 304.390 2.978 20 0 DFADHM CC[C@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)N(CC)CC ZINC000736846866 600587722 /nfs/dbraw/zinc/58/77/22/600587722.db2.gz ISAQBEHIZBBSQP-OAHLLOKOSA-N -1 3 306.406 2.763 20 0 DFADHM CC(C)N(CCC(=O)[O-])C(=O)c1cccc(CN2CCCC2)c1 ZINC000736465520 600597069 /nfs/dbraw/zinc/59/70/69/600597069.db2.gz BMAMRUVILYFEPR-UHFFFAOYSA-N -1 3 318.417 2.608 20 0 DFADHM Cc1ccccc1OCCN[C@@H](C(=O)[O-])c1ccccc1F ZINC000832981727 600741764 /nfs/dbraw/zinc/74/17/64/600741764.db2.gz PKVPIMGJCBAIJL-MRXNPFEDSA-N -1 3 303.333 2.928 20 0 DFADHM CCC[C@@](C)(NCc1ccn(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000829201878 600832377 /nfs/dbraw/zinc/83/23/77/600832377.db2.gz HHVCDWBQMFNGJV-MRXNPFEDSA-N -1 3 305.353 2.744 20 0 DFADHM C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000828214837 600936398 /nfs/dbraw/zinc/93/63/98/600936398.db2.gz UJAOGSLSVKHLKU-FMKPAKJESA-N -1 3 318.417 2.582 20 0 DFADHM C[C@@H]1CCC[C@H](C)CN1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736773183 600978326 /nfs/dbraw/zinc/97/83/26/600978326.db2.gz AZQIZDQTKSABQF-UONOGXRCSA-N -1 3 318.417 2.858 20 0 DFADHM Fc1cccc(CN(Cc2ccnc(-c3nnn[n-]3)c2)C2CC2)c1 ZINC000826376835 607487301 /nfs/dbraw/zinc/48/73/01/607487301.db2.gz UVMCLFPTHIGZRG-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM COc1cccc(CN(C/C=C(/C)C(=O)[O-])C[C@H]2CCCO2)c1 ZINC000832549030 601159466 /nfs/dbraw/zinc/15/94/66/601159466.db2.gz GRFPWLMKTVPBKM-XMCSSRMMSA-N -1 3 319.401 2.707 20 0 DFADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1)c1ccccc1 ZINC000826055172 601206018 /nfs/dbraw/zinc/20/60/18/601206018.db2.gz WMIHCRXCEZXKBJ-DYVFJYSZSA-N -1 3 312.369 2.677 20 0 DFADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1)c1ccccc1 ZINC000826055173 601206387 /nfs/dbraw/zinc/20/63/87/601206387.db2.gz WMIHCRXCEZXKBJ-GUYCJALGSA-N -1 3 312.369 2.677 20 0 DFADHM CC[C@H]1CN2CCCC[C@@H]2CN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000829162213 601323201 /nfs/dbraw/zinc/32/32/01/601323201.db2.gz QASYAENZIWKZNO-UONOGXRCSA-N -1 3 306.406 2.735 20 0 DFADHM CN(C)Cc1ccc(-c2noc(-c3cccc(C(=O)[O-])n3)n2)cc1 ZINC000830619991 601367964 /nfs/dbraw/zinc/36/79/64/601367964.db2.gz LSEOMQUUKMVBFY-UHFFFAOYSA-N -1 3 324.340 2.558 20 0 DFADHM CN(C)Cc1ccc(-c2noc(-c3ccc(C(=O)[O-])cn3)n2)cc1 ZINC000830619631 601367980 /nfs/dbraw/zinc/36/79/80/601367980.db2.gz GZYHEHHHUGPKGU-UHFFFAOYSA-N -1 3 324.340 2.558 20 0 DFADHM O=C([O-])c1nn(CN2CC[C@H](c3ccco3)C2)c2ccccc21 ZINC000833347098 601400779 /nfs/dbraw/zinc/40/07/79/601400779.db2.gz UGNGVAHHJFESCV-LBPRGKRZSA-N -1 3 311.341 2.775 20 0 DFADHM CCOC(=O)CC1CCN(Cc2cc(C(=O)[O-])oc2CC)CC1 ZINC000829842965 601412045 /nfs/dbraw/zinc/41/20/45/601412045.db2.gz DRFVQWNUXATVIW-UHFFFAOYSA-N -1 3 323.389 2.705 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1CCC(c2ncc[nH]2)CC1 ZINC000830368848 601419306 /nfs/dbraw/zinc/41/93/06/601419306.db2.gz DQVXWEXTQMNERP-UHFFFAOYSA-N -1 3 303.362 2.643 20 0 DFADHM O=C([O-])CC1(NCc2cnn(-c3ccccc3)n2)CCCCC1 ZINC000833205877 601554310 /nfs/dbraw/zinc/55/43/10/601554310.db2.gz QCYRNEKEMXAVMQ-UHFFFAOYSA-N -1 3 314.389 2.535 20 0 DFADHM CS[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826224802 607963325 /nfs/dbraw/zinc/96/33/25/607963325.db2.gz LZGGHCKBTFBOCW-SSDOTTSWSA-N -1 3 311.798 2.600 20 0 DFADHM CS[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826224802 607963326 /nfs/dbraw/zinc/96/33/26/607963326.db2.gz LZGGHCKBTFBOCW-SSDOTTSWSA-N -1 3 311.798 2.600 20 0 DFADHM CN(C)Cc1cccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000830619978 601789059 /nfs/dbraw/zinc/78/90/59/601789059.db2.gz LGFBCESSWACXIS-MRXNPFEDSA-N -1 3 318.417 2.512 20 0 DFADHM C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC(CCC(=O)[O-])CC1 ZINC000825977655 601842286 /nfs/dbraw/zinc/84/22/86/601842286.db2.gz LSGVBMHVTMODRJ-SOUVJXGZSA-N -1 3 324.465 2.741 20 0 DFADHM CC(C)Oc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000091133520 601889741 /nfs/dbraw/zinc/88/97/41/601889741.db2.gz YUNOSNDLSGFVDU-AWEZNQCLSA-N -1 3 309.431 2.866 20 0 DFADHM Cc1ccc(-c2nnc([C@@H](C)N3CC[C@](C)(C(=O)[O-])C3)o2)cc1 ZINC000832908691 601920149 /nfs/dbraw/zinc/92/01/49/601920149.db2.gz POHCQPGUAGFWDQ-PXAZEXFGSA-N -1 3 315.373 2.903 20 0 DFADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263056848 601926826 /nfs/dbraw/zinc/92/68/26/601926826.db2.gz GCDCULBZDBKCBX-BDJLRTHQSA-N -1 3 324.808 2.772 20 0 DFADHM CN(CC(F)F)C1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000830706491 601960024 /nfs/dbraw/zinc/96/00/24/601960024.db2.gz MXTYEVITHQYHHZ-UHFFFAOYSA-N -1 3 318.389 2.608 20 0 DFADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@H](CCO)C1 ZINC000833172417 602046582 /nfs/dbraw/zinc/04/65/82/602046582.db2.gz VAMJLMNBTZVSLI-ZANVPECISA-N -1 3 318.200 2.823 20 0 DFADHM COc1ccc(CNc2cccc(C(C)=O)c2)cc1-c1nnn[n-]1 ZINC000826203710 607545139 /nfs/dbraw/zinc/54/51/39/607545139.db2.gz CNCWDHAGPKJQSV-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM COc1ccc(CNc2cccc(C(C)=O)c2)cc1-c1nn[n-]n1 ZINC000826203710 607545141 /nfs/dbraw/zinc/54/51/41/607545141.db2.gz CNCWDHAGPKJQSV-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM CCCN1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739365543 602252377 /nfs/dbraw/zinc/25/23/77/602252377.db2.gz SLKHMSXEBDMQAV-HNNXBMFYSA-N -1 3 317.389 2.540 20 0 DFADHM O=C([O-])NC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000740595623 602375510 /nfs/dbraw/zinc/37/55/10/602375510.db2.gz GSQAJOFCNMBFLY-UHFFFAOYSA-N -1 3 318.295 2.817 20 0 DFADHM O=C([O-])N[C@H]1CCN(CCCOc2cccc3ccccc32)C1 ZINC000740594733 602430996 /nfs/dbraw/zinc/43/09/96/602430996.db2.gz BEKQYURBKLATAV-HNNXBMFYSA-N -1 3 314.385 2.951 20 0 DFADHM CCN1CCCC[C@H]1CNC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739454438 602527240 /nfs/dbraw/zinc/52/72/40/602527240.db2.gz MCLOSPHJZXHKED-LBPRGKRZSA-N -1 3 323.368 2.520 20 0 DFADHM Cc1ccc(C)c(OCCN2CCC(N(C)C(=O)[O-])CC2)c1 ZINC000738264708 602534372 /nfs/dbraw/zinc/53/43/72/602534372.db2.gz NOQSFVFRAJDRFX-UHFFFAOYSA-N -1 3 306.406 2.756 20 0 DFADHM COc1cc(CN2CC[C@@H](CNC(=O)[O-])C2)ccc1SC ZINC000739858588 602735470 /nfs/dbraw/zinc/73/54/70/602735470.db2.gz GDQHCZFUKWUETG-LBPRGKRZSA-N -1 3 310.419 2.507 20 0 DFADHM CC[C@H](SC)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825159008 607588662 /nfs/dbraw/zinc/58/86/62/607588662.db2.gz HCAHGHIZMPZLCU-CABZTGNLSA-N -1 3 306.391 2.613 20 0 DFADHM CC[C@H](SC)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159008 607588664 /nfs/dbraw/zinc/58/86/64/607588664.db2.gz HCAHGHIZMPZLCU-CABZTGNLSA-N -1 3 306.391 2.613 20 0 DFADHM CC1(C)Cc2cccc(CN[C@@H]3CCCN(C(=O)[O-])C3)c2O1 ZINC000736737290 602880975 /nfs/dbraw/zinc/88/09/75/602880975.db2.gz NHEBDLNIKVOUCX-CQSZACIVSA-N -1 3 304.390 2.632 20 0 DFADHM C[C@@H]1C[C@@H](C)N(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824875355 608049930 /nfs/dbraw/zinc/04/99/30/608049930.db2.gz LZKMJJBIRYDMQH-RKDXNWHRSA-N -1 3 322.210 2.864 20 0 DFADHM CCc1ccc([C@H](COC)NC[C@@H]2CCCN(C(=O)[O-])C2)o1 ZINC000827577813 603164561 /nfs/dbraw/zinc/16/45/61/603164561.db2.gz RAUDJQSYTZTOKU-JSGCOSHPSA-N -1 3 310.394 2.509 20 0 DFADHM CCCN1CCC[C@@H]1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826920894 603181018 /nfs/dbraw/zinc/18/10/18/603181018.db2.gz KNCDDSWMUNMKIO-IUODEOHRSA-N -1 3 319.405 2.828 20 0 DFADHM CN(CCC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825918746 607616844 /nfs/dbraw/zinc/61/68/44/607616844.db2.gz LKOCWHRWDQQVHD-UHFFFAOYSA-N -1 3 320.784 2.784 20 0 DFADHM CN(CCC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825918746 607616845 /nfs/dbraw/zinc/61/68/45/607616845.db2.gz LKOCWHRWDQQVHD-UHFFFAOYSA-N -1 3 320.784 2.784 20 0 DFADHM CN(C[C@@H]1OCCc2ccccc21)CC(C)(C)CNC(=O)[O-] ZINC000828266433 603544244 /nfs/dbraw/zinc/54/42/44/603544244.db2.gz GEEBEIWELCXWJN-HNNXBMFYSA-N -1 3 306.406 2.526 20 0 DFADHM CN(Cc1nc2ccccc2o1)C1CCC(NC(=O)[O-])CC1 ZINC000828420855 603793145 /nfs/dbraw/zinc/79/31/45/603793145.db2.gz IZADNXKSOWSWKC-UHFFFAOYSA-N -1 3 303.362 2.838 20 0 DFADHM COc1ccc(CN(C)C2CCN(C(=O)[O-])CC2)c(Cl)c1 ZINC000829363192 603831314 /nfs/dbraw/zinc/83/13/14/603831314.db2.gz SRAXGUSRRCJJJH-UHFFFAOYSA-N -1 3 312.797 2.923 20 0 DFADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)C1CCCCC1 ZINC000825379970 607659270 /nfs/dbraw/zinc/65/92/70/607659270.db2.gz NCARSDYLCHKXBT-UHFFFAOYSA-N -1 3 313.405 2.970 20 0 DFADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)C1CCCCC1 ZINC000825379970 607659274 /nfs/dbraw/zinc/65/92/74/607659274.db2.gz NCARSDYLCHKXBT-UHFFFAOYSA-N -1 3 313.405 2.970 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCC(C)C)C1CC1 ZINC000826244168 607660038 /nfs/dbraw/zinc/66/00/38/607660038.db2.gz IXSMJHRUTZJRPF-UHFFFAOYSA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCC(C)C)C1CC1 ZINC000826244168 607660040 /nfs/dbraw/zinc/66/00/40/607660040.db2.gz IXSMJHRUTZJRPF-UHFFFAOYSA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000826243720 607661302 /nfs/dbraw/zinc/66/13/02/607661302.db2.gz SQRDHCQBXISKNT-FZMZJTMJSA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000826243720 607661304 /nfs/dbraw/zinc/66/13/04/607661304.db2.gz SQRDHCQBXISKNT-FZMZJTMJSA-N -1 3 313.405 2.826 20 0 DFADHM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825194712 607662470 /nfs/dbraw/zinc/66/24/70/607662470.db2.gz SEDXSWPCKIICIN-SWLSCSKDSA-N -1 3 313.405 2.874 20 0 DFADHM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825194712 607662472 /nfs/dbraw/zinc/66/24/72/607662472.db2.gz SEDXSWPCKIICIN-SWLSCSKDSA-N -1 3 313.405 2.874 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H]1c1ccccc1 ZINC000826244875 607662919 /nfs/dbraw/zinc/66/29/19/607662919.db2.gz GGAPRODGWYGQLP-INIZCTEOSA-N -1 3 319.368 2.762 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H]1c1ccccc1 ZINC000826244875 607662921 /nfs/dbraw/zinc/66/29/21/607662921.db2.gz GGAPRODGWYGQLP-INIZCTEOSA-N -1 3 319.368 2.762 20 0 DFADHM O=C([O-])NC[C@@H]1CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000832573424 604067853 /nfs/dbraw/zinc/06/78/53/604067853.db2.gz OCUGDWDMVWYSEG-LBPRGKRZSA-N -1 3 302.296 2.937 20 0 DFADHM O=C([O-])NC[C@@H]1CCCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000832573009 604077315 /nfs/dbraw/zinc/07/73/15/604077315.db2.gz JEUJCKUXFHDOQT-NSHDSACASA-N -1 3 318.295 2.817 20 0 DFADHM Cc1nc2ccccc2nc1CN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000830794032 604105815 /nfs/dbraw/zinc/10/58/15/604105815.db2.gz ZUILGIZSAYIRHX-ZDUSSCGKSA-N -1 3 314.389 2.512 20 0 DFADHM COc1c(C)cnc(CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1C ZINC000829067288 604177232 /nfs/dbraw/zinc/17/72/32/604177232.db2.gz UEJPPQNCYXVCQV-KGLIPLIRSA-N -1 3 321.421 2.575 20 0 DFADHM O=C([O-])N1CCC[C@@H](N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000833278650 604288366 /nfs/dbraw/zinc/28/83/66/604288366.db2.gz FIXAKOJXJMYMMO-TZMCWYRMSA-N -1 3 308.353 2.771 20 0 DFADHM COc1ccc2c(c1)[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)CCCO2 ZINC000829516824 604327729 /nfs/dbraw/zinc/32/77/29/604327729.db2.gz VVBSJVLIBOAMAA-IUODEOHRSA-N -1 3 320.389 2.641 20 0 DFADHM COc1ccc([C@H](C)NC[C@@H](NC(=O)[O-])C(C)C)c(OC)c1 ZINC000829301703 604335762 /nfs/dbraw/zinc/33/57/62/604335762.db2.gz CVYQESPONWUXAP-SMDDNHRTSA-N -1 3 310.394 2.647 20 0 DFADHM C[C@@](CNC(=O)[O-])(NCc1cc(Cl)nc(Cl)c1)C1CC1 ZINC000824954298 604341285 /nfs/dbraw/zinc/34/12/85/604341285.db2.gz ZSXSUXVUWSBARX-ZDUSSCGKSA-N -1 3 318.204 2.914 20 0 DFADHM C[C@H](N[C@H](CNC(=O)[O-])C1CC1)c1ccccc1OC(F)F ZINC000825474156 604360915 /nfs/dbraw/zinc/36/09/15/604360915.db2.gz ZGFRUVFKXNCUDP-JOYOIKCWSA-N -1 3 314.332 2.985 20 0 DFADHM C[C@@H](N[C@H](CNC(=O)[O-])C1CC1)c1cc(F)c(F)c(F)c1 ZINC000825473525 604361098 /nfs/dbraw/zinc/36/10/98/604361098.db2.gz RNJIYOUTKUBTGF-JMCQJSRRSA-N -1 3 302.296 2.801 20 0 DFADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826284380 607693741 /nfs/dbraw/zinc/69/37/41/607693741.db2.gz RYGJLGRIZGGFMB-GFCCVEGCSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826284380 607693743 /nfs/dbraw/zinc/69/37/43/607693743.db2.gz RYGJLGRIZGGFMB-GFCCVEGCSA-N -1 3 324.388 2.645 20 0 DFADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Cl)cc1 ZINC000825379138 607695242 /nfs/dbraw/zinc/69/52/42/607695242.db2.gz AXRVUUSBVZHQOR-UHFFFAOYSA-N -1 3 316.752 2.515 20 0 DFADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Cl)cc1 ZINC000825379138 607695244 /nfs/dbraw/zinc/69/52/44/607695244.db2.gz AXRVUUSBVZHQOR-UHFFFAOYSA-N -1 3 316.752 2.515 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000826244434 607698450 /nfs/dbraw/zinc/69/84/50/607698450.db2.gz RVZNKJJHTRWETQ-ZDUSSCGKSA-N -1 3 313.405 2.683 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000826244434 607698451 /nfs/dbraw/zinc/69/84/51/607698451.db2.gz RVZNKJJHTRWETQ-ZDUSSCGKSA-N -1 3 313.405 2.683 20 0 DFADHM Cc1cc(CN2CCSC[C@H]2C)cc(C)c1OCC(=O)[O-] ZINC000833745819 604648474 /nfs/dbraw/zinc/64/84/74/604648474.db2.gz VMCKQQUUVCSQOF-CYBMUJFWSA-N -1 3 309.431 2.704 20 0 DFADHM COc1ccc2oc(CN3CCSC[C@H]3CC(=O)[O-])cc2c1 ZINC000833734997 604661305 /nfs/dbraw/zinc/66/13/05/604661305.db2.gz PTWHFJGOXDHSBN-GFCCVEGCSA-N -1 3 321.398 2.834 20 0 DFADHM C[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000167661121 604669991 /nfs/dbraw/zinc/66/99/91/604669991.db2.gz FZAGSTSUJRGEGC-KCJUWKMLSA-N -1 3 305.271 2.997 20 0 DFADHM C[C@]1(C(=O)[O-])CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000833554557 604674502 /nfs/dbraw/zinc/67/45/02/604674502.db2.gz ZGVFDDOOGMFLMS-INIZCTEOSA-N -1 3 321.327 2.652 20 0 DFADHM CC(C)CN(C(=O)[C@@H]1CC1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249155 607711185 /nfs/dbraw/zinc/71/11/85/607711185.db2.gz IPLOZAJCUUQGMJ-AWEZNQCLSA-N -1 3 313.405 2.902 20 0 DFADHM CC(C)CN(C(=O)[C@@H]1CC1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249155 607711187 /nfs/dbraw/zinc/71/11/87/607711187.db2.gz IPLOZAJCUUQGMJ-AWEZNQCLSA-N -1 3 313.405 2.902 20 0 DFADHM COc1ccccc1[C@@H](CN[C@@H](C)c1cncs1)NC(=O)[O-] ZINC000829597653 604760456 /nfs/dbraw/zinc/76/04/56/604760456.db2.gz JRJHBMWKKRGGAX-CMPLNLGQSA-N -1 3 321.402 2.811 20 0 DFADHM CC(C)OCc1ccccc1CN[C@H](C(=O)[O-])c1cccnc1 ZINC000827033507 604990402 /nfs/dbraw/zinc/99/04/02/604990402.db2.gz LJUYRIWYASRECT-KRWDZBQOSA-N -1 3 314.385 2.922 20 0 DFADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000829532326 604992958 /nfs/dbraw/zinc/99/29/58/604992958.db2.gz DHDPRTKYXIJDFB-MRXNPFEDSA-N -1 3 300.358 2.786 20 0 DFADHM Fc1cccnc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000826378768 607730703 /nfs/dbraw/zinc/73/07/03/607730703.db2.gz ZPBBPNJYDJISDO-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM Fc1cccnc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000826378768 607730705 /nfs/dbraw/zinc/73/07/05/607730705.db2.gz ZPBBPNJYDJISDO-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM CC[C@H](C)[C@@H](NC(=O)CN[C@](C)(CC)c1ccccc1)C(=O)[O-] ZINC000833638855 605136454 /nfs/dbraw/zinc/13/64/54/605136454.db2.gz KSRVNBZCMNHPNX-FDQGKXFDSA-N -1 3 320.433 2.517 20 0 DFADHM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1cccc(C)c1C)C(=O)[O-] ZINC000833638026 605140196 /nfs/dbraw/zinc/14/01/96/605140196.db2.gz GZZLVEBIUJDWFG-PZSREKOKSA-N -1 3 320.433 2.570 20 0 DFADHM C[C@@H]1CN(CC(=O)Nc2ccsc2C(=O)[O-])[C@H]2CCCC[C@H]12 ZINC000833626013 605222734 /nfs/dbraw/zinc/22/27/34/605222734.db2.gz NXDAJOUSONTYBX-WZRBSPASSA-N -1 3 322.430 2.895 20 0 DFADHM CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824243526 607741677 /nfs/dbraw/zinc/74/16/77/607741677.db2.gz IKBUSDXFMYHOHB-LBPRGKRZSA-N -1 3 316.409 2.626 20 0 DFADHM CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824243526 607741678 /nfs/dbraw/zinc/74/16/78/607741678.db2.gz IKBUSDXFMYHOHB-LBPRGKRZSA-N -1 3 316.409 2.626 20 0 DFADHM Cc1ccc([C@H](CNCc2ccoc2C(=O)[O-])N2CCCC2)o1 ZINC000833748987 605236670 /nfs/dbraw/zinc/23/66/70/605236670.db2.gz JRLCWASKBZOWEU-AWEZNQCLSA-N -1 3 318.373 2.806 20 0 DFADHM CCc1ccc([C@H](C)NCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)cc1 ZINC000833668773 605292169 /nfs/dbraw/zinc/29/21/69/605292169.db2.gz CGMLMLBZAHLFQA-IIYDPXPESA-N -1 3 320.433 2.515 20 0 DFADHM Cc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1NC(=O)[O-] ZINC000829929716 605306203 /nfs/dbraw/zinc/30/62/03/605306203.db2.gz BKRMLMMUTMEWPL-UHFFFAOYSA-N -1 3 319.405 2.641 20 0 DFADHM CC1=C(C(=O)[O-])C[C@@H](CN2CC=C(c3ccc(O)cc3)CC2)O1 ZINC000833585794 605321729 /nfs/dbraw/zinc/32/17/29/605321729.db2.gz YSLVCRTZGLMXRU-INIZCTEOSA-N -1 3 315.369 2.629 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2CCCO[C@H](c3ccccc3)C2)O1 ZINC000833577203 605331195 /nfs/dbraw/zinc/33/11/95/605331195.db2.gz BGJURFWWOVPJAN-WBVHZDCISA-N -1 3 317.385 2.598 20 0 DFADHM Cc1nc(C)c([C@@H](C)N(C)C[C@H]2CC(C(=O)[O-])=C(C)O2)s1 ZINC000833576611 605336237 /nfs/dbraw/zinc/33/62/37/605336237.db2.gz LTXHUVAFPGVITA-BXKDBHETSA-N -1 3 310.419 2.900 20 0 DFADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CCC(=O)c2ccccc2)C1 ZINC000833811393 605345360 /nfs/dbraw/zinc/34/53/60/605345360.db2.gz BTWFVGPWAZVHMP-UKRRQHHQSA-N -1 3 304.390 2.628 20 0 DFADHM C[C@@]1(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)CCCO1 ZINC000833565893 605361967 /nfs/dbraw/zinc/36/19/67/605361967.db2.gz JMYIKPPXYWXHMI-OCCSQVGLSA-N -1 3 301.745 2.764 20 0 DFADHM CC(C)(C)[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000833427265 605426848 /nfs/dbraw/zinc/42/68/48/605426848.db2.gz ZHZRPVCTFAYYLM-CYBMUJFWSA-N -1 3 304.390 2.691 20 0 DFADHM CN(C[C@@H]1CCCN(CCc2ccc(F)c(F)c2)C1)C(=O)[O-] ZINC000828180524 605460220 /nfs/dbraw/zinc/46/02/20/605460220.db2.gz LKAVVNUJPGWSMI-ZDUSSCGKSA-N -1 3 312.360 2.829 20 0 DFADHM CCCN(Cc1cn2ccsc2n1)C1CCN(C(=O)[O-])CC1 ZINC000826911561 605467561 /nfs/dbraw/zinc/46/75/61/605467561.db2.gz AUDCIEZFICYJMT-UHFFFAOYSA-N -1 3 322.434 2.750 20 0 DFADHM CC(C)(C)OC(=O)c1cccc(CN2CCC(C(=O)[O-])CC2)c1 ZINC000819927654 605474550 /nfs/dbraw/zinc/47/45/50/605474550.db2.gz MZRODGKCSYHAGD-UHFFFAOYSA-N -1 3 319.401 2.939 20 0 DFADHM O=C(NCC1(C2CC2)CCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826433635 607757978 /nfs/dbraw/zinc/75/79/78/607757978.db2.gz MZFUTWUVYHPZFA-UHFFFAOYSA-N -1 3 312.377 2.569 20 0 DFADHM O=C(NCC1(C2CC2)CCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826433635 607757979 /nfs/dbraw/zinc/75/79/79/607757979.db2.gz MZFUTWUVYHPZFA-UHFFFAOYSA-N -1 3 312.377 2.569 20 0 DFADHM COc1ccc2c(c1)nccc2N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000829515064 605487028 /nfs/dbraw/zinc/48/70/28/605487028.db2.gz CITGSJLYTBAKIN-RYUDHWBXSA-N -1 3 315.373 2.868 20 0 DFADHM COc1ccc2c(c1)nccc2N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000829515066 605487213 /nfs/dbraw/zinc/48/72/13/605487213.db2.gz CITGSJLYTBAKIN-VXGBXAGGSA-N -1 3 315.373 2.868 20 0 DFADHM COC[C@H](N[C@@H](C)C[C@H]1CCCN1C(=O)[O-])c1ccc(C)o1 ZINC000828920031 605510467 /nfs/dbraw/zinc/51/04/67/605510467.db2.gz CFHGBKZHPJZRKO-YUTCNCBUSA-N -1 3 310.394 2.786 20 0 DFADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000833418870 605553337 /nfs/dbraw/zinc/55/33/37/605553337.db2.gz BYEBHTONSYETPD-GFCCVEGCSA-N -1 3 301.390 2.886 20 0 DFADHM O=C([O-])N1CC[C@@H](N(Cc2cncc3ccccc32)C2CC2)C1 ZINC000834086444 605621411 /nfs/dbraw/zinc/62/14/11/605621411.db2.gz ZBBMBVTYYCRSRV-MRXNPFEDSA-N -1 3 311.385 2.952 20 0 DFADHM O=C([O-])NC[C@@H]1CCCC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000834220376 605646998 /nfs/dbraw/zinc/64/69/98/605646998.db2.gz HNINUASGRFQWFF-BBRMVZONSA-N -1 3 320.437 2.914 20 0 DFADHM O=C([O-])NC[C@H]1CCCC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000834220377 605647418 /nfs/dbraw/zinc/64/74/18/605647418.db2.gz HNINUASGRFQWFF-CJNGLKHVSA-N -1 3 320.437 2.914 20 0 DFADHM C[C@@H]1C[C@H](CNC(=O)[O-])CN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000833834393 605685374 /nfs/dbraw/zinc/68/53/74/605685374.db2.gz OAWODDMYLWZYPR-CHWSQXEVSA-N -1 3 314.389 2.555 20 0 DFADHM C[C@H](O)[C@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000833530921 605695376 /nfs/dbraw/zinc/69/53/76/605695376.db2.gz WWDDUKIWYONTFG-RVBZMBCESA-N -1 3 318.200 2.822 20 0 DFADHM C[C@H](O)[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000833527710 605698828 /nfs/dbraw/zinc/69/88/28/605698828.db2.gz LEMSASWPSUODFA-MWODSPESSA-N -1 3 318.200 2.822 20 0 DFADHM C[C@H](CCNCc1ccccc1Br)NC(=O)[O-] ZINC000833805334 606008812 /nfs/dbraw/zinc/00/88/12/606008812.db2.gz OOIKEQQQGAXOMY-SECBINFHSA-N -1 3 301.184 2.585 20 0 DFADHM C[C@@H](CCNCc1ccccc1Br)NC(=O)[O-] ZINC000833805335 606009129 /nfs/dbraw/zinc/00/91/29/606009129.db2.gz OOIKEQQQGAXOMY-VIFPVBQESA-N -1 3 301.184 2.585 20 0 DFADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC000820455249 606025521 /nfs/dbraw/zinc/02/55/21/606025521.db2.gz FZMLMSXWUVCNBY-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(F)c1 ZINC000820455249 606025525 /nfs/dbraw/zinc/02/55/25/606025525.db2.gz FZMLMSXWUVCNBY-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM Cc1ccc(OCCCCNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822263057 606046504 /nfs/dbraw/zinc/04/65/04/606046504.db2.gz IHCMIFLUJKCRJV-UHFFFAOYSA-N -1 3 324.388 2.841 20 0 DFADHM Cc1ccc(OCCCCNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822263057 606046511 /nfs/dbraw/zinc/04/65/11/606046511.db2.gz IHCMIFLUJKCRJV-UHFFFAOYSA-N -1 3 324.388 2.841 20 0 DFADHM CCN(CCNc1ccc(-c2nnn[n-]2)nc1)c1ccccc1C ZINC000821215448 606047010 /nfs/dbraw/zinc/04/70/10/606047010.db2.gz QZPAVRDSXZJOJJ-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM CCN(CCNc1ccc(-c2nn[n-]n2)nc1)c1ccccc1C ZINC000821215448 606047014 /nfs/dbraw/zinc/04/70/14/606047014.db2.gz QZPAVRDSXZJOJJ-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM Cc1occc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822554182 606056411 /nfs/dbraw/zinc/05/64/11/606056411.db2.gz WEFPYVKOQIHMAO-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1occc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822554182 606056413 /nfs/dbraw/zinc/05/64/13/606056413.db2.gz WEFPYVKOQIHMAO-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM CO[C@@]1(C)C[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000821678864 606061818 /nfs/dbraw/zinc/06/18/18/606061818.db2.gz TZAWVSJKOUKLRN-LRDDRELGSA-N -1 3 319.384 2.646 20 0 DFADHM CO[C@@]1(C)C[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000821678864 606061823 /nfs/dbraw/zinc/06/18/23/606061823.db2.gz TZAWVSJKOUKLRN-LRDDRELGSA-N -1 3 319.384 2.646 20 0 DFADHM Cc1ccccc1[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000822352024 606068647 /nfs/dbraw/zinc/06/86/47/606068647.db2.gz UJQXYRLQPBASPF-ZDUSSCGKSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccccc1[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000822352024 606068653 /nfs/dbraw/zinc/06/86/53/606068653.db2.gz UJQXYRLQPBASPF-ZDUSSCGKSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1cccc2[nH]cc(CCNc3ccc(-c4nnn[n-]4)nc3)c21 ZINC000822331478 606070324 /nfs/dbraw/zinc/07/03/24/606070324.db2.gz GLGKSSIRCWDIFT-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1cccc2[nH]cc(CCNc3ccc(-c4nn[n-]n4)nc3)c21 ZINC000822331478 606070331 /nfs/dbraw/zinc/07/03/31/606070331.db2.gz GLGKSSIRCWDIFT-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820665118 606086194 /nfs/dbraw/zinc/08/61/94/606086194.db2.gz DQIANQBRHBSXLI-GXTWGEPZSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820665118 606086198 /nfs/dbraw/zinc/08/61/98/606086198.db2.gz DQIANQBRHBSXLI-GXTWGEPZSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1C[C@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820665150 606087034 /nfs/dbraw/zinc/08/70/34/606087034.db2.gz DQIANQBRHBSXLI-JSGCOSHPSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1C[C@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820665150 606087038 /nfs/dbraw/zinc/08/70/38/606087038.db2.gz DQIANQBRHBSXLI-JSGCOSHPSA-N -1 3 306.373 2.644 20 0 DFADHM CC(C)(C)[C@H](NCc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000819897951 606087127 /nfs/dbraw/zinc/08/71/27/606087127.db2.gz BCBUBFQKRRWEAC-LBPRGKRZSA-N -1 3 313.327 2.933 20 0 DFADHM CC(C)(C)[C@H](NCc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000819897951 606087130 /nfs/dbraw/zinc/08/71/30/606087130.db2.gz BCBUBFQKRRWEAC-LBPRGKRZSA-N -1 3 313.327 2.933 20 0 DFADHM Fc1ccc(CCNc2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000822767015 606088938 /nfs/dbraw/zinc/08/89/38/606088938.db2.gz SSFJGEYJYPDLKE-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM Fc1ccc(CCNc2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC000822767015 606088941 /nfs/dbraw/zinc/08/89/41/606088941.db2.gz SSFJGEYJYPDLKE-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000822564106 606105759 /nfs/dbraw/zinc/10/57/59/606105759.db2.gz UEZDEQLENDDIND-UWVGGRQHSA-N -1 3 304.785 2.542 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000822564106 606105761 /nfs/dbraw/zinc/10/57/61/606105761.db2.gz UEZDEQLENDDIND-UWVGGRQHSA-N -1 3 304.785 2.542 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC000820743475 606115268 /nfs/dbraw/zinc/11/52/68/606115268.db2.gz UQUFPPUBZOUIOZ-JTQLQIEISA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC000820743475 606115270 /nfs/dbraw/zinc/11/52/70/606115270.db2.gz UQUFPPUBZOUIOZ-JTQLQIEISA-N -1 3 300.366 2.519 20 0 DFADHM CC1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCC1 ZINC000820577654 606121684 /nfs/dbraw/zinc/12/16/84/606121684.db2.gz SUJGUFMFALGPOV-UHFFFAOYSA-N -1 3 317.418 2.936 20 0 DFADHM CC1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCC1 ZINC000820577654 606121685 /nfs/dbraw/zinc/12/16/85/606121685.db2.gz SUJGUFMFALGPOV-UHFFFAOYSA-N -1 3 317.418 2.936 20 0 DFADHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccccc1 ZINC000820396583 606123134 /nfs/dbraw/zinc/12/31/34/606123134.db2.gz HBMPDDZWVHNUFX-CHWSQXEVSA-N -1 3 321.384 2.789 20 0 DFADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccccc1 ZINC000820396583 606123135 /nfs/dbraw/zinc/12/31/35/606123135.db2.gz HBMPDDZWVHNUFX-CHWSQXEVSA-N -1 3 321.384 2.789 20 0 DFADHM C[C@H]1c2ccccc2CN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820827027 606137472 /nfs/dbraw/zinc/13/74/72/606137472.db2.gz PZXNCSPGRPRSFI-VIFPVBQESA-N -1 3 312.764 2.996 20 0 DFADHM C[C@H]1c2ccccc2CN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820827027 606137473 /nfs/dbraw/zinc/13/74/73/606137473.db2.gz PZXNCSPGRPRSFI-VIFPVBQESA-N -1 3 312.764 2.996 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2Cc3ccccc3[C@H]2C)n1 ZINC000822193149 606137534 /nfs/dbraw/zinc/13/75/34/606137534.db2.gz MWHMEPRYJSOIQC-GFCCVEGCSA-N -1 3 306.373 2.960 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2Cc3ccccc3[C@H]2C)n1 ZINC000822193149 606137536 /nfs/dbraw/zinc/13/75/36/606137536.db2.gz MWHMEPRYJSOIQC-GFCCVEGCSA-N -1 3 306.373 2.960 20 0 DFADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000820280757 606138267 /nfs/dbraw/zinc/13/82/67/606138267.db2.gz NYOXZLNAFSMXLP-JTQLQIEISA-N -1 3 321.344 2.619 20 0 DFADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000820280757 606138268 /nfs/dbraw/zinc/13/82/68/606138268.db2.gz NYOXZLNAFSMXLP-JTQLQIEISA-N -1 3 321.344 2.619 20 0 DFADHM Cc1cc(C)c(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000822194197 606140848 /nfs/dbraw/zinc/14/08/48/606140848.db2.gz MRCNXJSVZVKNFW-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C)c(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000822194197 606140849 /nfs/dbraw/zinc/14/08/49/606140849.db2.gz MRCNXJSVZVKNFW-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)C1CCCC1 ZINC000819882998 606147219 /nfs/dbraw/zinc/14/72/19/606147219.db2.gz DMGINJDONQKEMI-SNVBAGLBSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)C1CCCC1 ZINC000819882998 606147221 /nfs/dbraw/zinc/14/72/21/606147221.db2.gz DMGINJDONQKEMI-SNVBAGLBSA-N -1 3 318.352 2.875 20 0 DFADHM O=[S@@](Cc1ccc(-c2nnn[n-]2)cc1)CC1CCCCC1 ZINC000823606560 606156377 /nfs/dbraw/zinc/15/63/77/606156377.db2.gz LBAWSPFBMLEQHM-OAQYLSRUSA-N -1 3 304.419 2.696 20 0 DFADHM O=[S@@](Cc1ccc(-c2nn[n-]n2)cc1)CC1CCCCC1 ZINC000823606560 606156378 /nfs/dbraw/zinc/15/63/78/606156378.db2.gz LBAWSPFBMLEQHM-OAQYLSRUSA-N -1 3 304.419 2.696 20 0 DFADHM Cc1cccc2nc(CNc3ccc(F)c(-c4nnn[n-]4)c3)cn21 ZINC000822340934 606157016 /nfs/dbraw/zinc/15/70/16/606157016.db2.gz NWHQCMKESWLVNG-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cccc2nc(CNc3ccc(F)c(-c4nn[n-]n4)c3)cn21 ZINC000822340934 606157018 /nfs/dbraw/zinc/15/70/18/606157018.db2.gz NWHQCMKESWLVNG-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cnc(C(C)(C)NCc2cc(-c3nn[n-]n3)cs2)s1 ZINC000822389079 606204183 /nfs/dbraw/zinc/20/41/83/606204183.db2.gz KNUAOVRLDMMTFU-UHFFFAOYSA-N -1 3 320.447 2.718 20 0 DFADHM Cc1cnc(C(C)(C)NCc2cc(-c3nnn[n-]3)cs2)s1 ZINC000822389079 606204182 /nfs/dbraw/zinc/20/41/82/606204182.db2.gz KNUAOVRLDMMTFU-UHFFFAOYSA-N -1 3 320.447 2.718 20 0 DFADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2C2CC2)c(-c2nnn[n-]2)c1C ZINC000822557059 606208968 /nfs/dbraw/zinc/20/89/68/606208968.db2.gz GFDZQPXBRRABSN-VHSXEESVSA-N -1 3 303.391 2.530 20 0 DFADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2C2CC2)c(-c2nn[n-]n2)c1C ZINC000822557059 606208970 /nfs/dbraw/zinc/20/89/70/606208970.db2.gz GFDZQPXBRRABSN-VHSXEESVSA-N -1 3 303.391 2.530 20 0 DFADHM Cc1nc2[nH]ccc2c(Sc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822452970 606215339 /nfs/dbraw/zinc/21/53/39/606215339.db2.gz CVBRRUOYFQNSDG-UHFFFAOYSA-N -1 3 309.358 2.598 20 0 DFADHM Cc1nc2[nH]ccc2c(Sc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822452970 606215340 /nfs/dbraw/zinc/21/53/40/606215340.db2.gz CVBRRUOYFQNSDG-UHFFFAOYSA-N -1 3 309.358 2.598 20 0 DFADHM CC(C)CN(C(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccccc1 ZINC000820081479 606222317 /nfs/dbraw/zinc/22/23/17/606222317.db2.gz IEYSYUIBQNYOBZ-UHFFFAOYSA-N -1 3 324.388 2.508 20 0 DFADHM CC(C)CN(C(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccccc1 ZINC000820081479 606222319 /nfs/dbraw/zinc/22/23/19/606222319.db2.gz IEYSYUIBQNYOBZ-UHFFFAOYSA-N -1 3 324.388 2.508 20 0 DFADHM COC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C)o1 ZINC000821683540 606222613 /nfs/dbraw/zinc/22/26/13/606222613.db2.gz CZVSVKCFYAKVFF-CYBMUJFWSA-N -1 3 317.324 2.707 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820643635 606233632 /nfs/dbraw/zinc/23/36/32/606233632.db2.gz XTQQLJRVYTYTFM-WFASDCNBSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820643635 606233633 /nfs/dbraw/zinc/23/36/33/606233633.db2.gz XTQQLJRVYTYTFM-WFASDCNBSA-N -1 3 306.373 2.644 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(CC)CCC1 ZINC000821400102 606235831 /nfs/dbraw/zinc/23/58/31/606235831.db2.gz FDJJYWPWWVSMPT-UHFFFAOYSA-N -1 3 315.377 2.784 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(CC)CCC1 ZINC000821400102 606235833 /nfs/dbraw/zinc/23/58/33/606235833.db2.gz FDJJYWPWWVSMPT-UHFFFAOYSA-N -1 3 315.377 2.784 20 0 DFADHM C[C@]1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC[C@@H]1O ZINC000820623107 606242938 /nfs/dbraw/zinc/24/29/38/606242938.db2.gz FKAOWTBPMOBQLL-DZGCQCFKSA-N -1 3 321.812 2.873 20 0 DFADHM C[C@]1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC[C@@H]1O ZINC000820623107 606242939 /nfs/dbraw/zinc/24/29/39/606242939.db2.gz FKAOWTBPMOBQLL-DZGCQCFKSA-N -1 3 321.812 2.873 20 0 DFADHM O=C(CCC1CCCC1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822950646 606263665 /nfs/dbraw/zinc/26/36/65/606263665.db2.gz WKSIZNXWKZDASL-UHFFFAOYSA-N -1 3 303.341 2.915 20 0 DFADHM O=C(CCC1CCCC1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822950646 606263667 /nfs/dbraw/zinc/26/36/67/606263667.db2.gz WKSIZNXWKZDASL-UHFFFAOYSA-N -1 3 303.341 2.915 20 0 DFADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820072864 606269508 /nfs/dbraw/zinc/26/95/08/606269508.db2.gz MFEBIDXWEQYPRD-AAEUAGOBSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820072864 606269509 /nfs/dbraw/zinc/26/95/09/606269509.db2.gz MFEBIDXWEQYPRD-AAEUAGOBSA-N -1 3 316.409 2.530 20 0 DFADHM CCCCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC000821048713 606275352 /nfs/dbraw/zinc/27/53/52/606275352.db2.gz GEOIFDFYIGOSCQ-CYBMUJFWSA-N -1 3 318.425 2.920 20 0 DFADHM CCCCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC000821048713 606275355 /nfs/dbraw/zinc/27/53/55/606275355.db2.gz GEOIFDFYIGOSCQ-CYBMUJFWSA-N -1 3 318.425 2.920 20 0 DFADHM CC(C)C[C@H]1CCCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820061837 606288547 /nfs/dbraw/zinc/28/85/47/606288547.db2.gz GJJYOYUVRWHMGR-CYBMUJFWSA-N -1 3 316.409 2.626 20 0 DFADHM CC(C)C[C@H]1CCCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820061837 606288549 /nfs/dbraw/zinc/28/85/49/606288549.db2.gz GJJYOYUVRWHMGR-CYBMUJFWSA-N -1 3 316.409 2.626 20 0 DFADHM COC(=O)c1ccc(CSc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821669636 606325737 /nfs/dbraw/zinc/32/57/37/606325737.db2.gz VPEJAAMVQDQBKK-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM COC(=O)c1ccc(CSc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821669636 606325739 /nfs/dbraw/zinc/32/57/39/606325739.db2.gz VPEJAAMVQDQBKK-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM CC[C@H](C)CN(CC)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820868922 606327413 /nfs/dbraw/zinc/32/74/13/606327413.db2.gz CGBPPIJRYIOPQE-NSHDSACASA-N -1 3 318.450 2.932 20 0 DFADHM CC[C@H](C)CN(CC)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820868922 606327415 /nfs/dbraw/zinc/32/74/15/606327415.db2.gz CGBPPIJRYIOPQE-NSHDSACASA-N -1 3 318.450 2.932 20 0 DFADHM C[C@H](OC(=O)CCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498187 606344168 /nfs/dbraw/zinc/34/41/68/606344168.db2.gz ZCPZIVLTKKUWQK-NSHDSACASA-N -1 3 312.329 2.697 20 0 DFADHM C[C@H](OC(=O)CCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498187 606344170 /nfs/dbraw/zinc/34/41/70/606344170.db2.gz ZCPZIVLTKKUWQK-NSHDSACASA-N -1 3 312.329 2.697 20 0 DFADHM CC1(C)CCC[C@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820590234 606347325 /nfs/dbraw/zinc/34/73/25/606347325.db2.gz QUSJHSHYDIRFFT-GFCCVEGCSA-N -1 3 318.356 2.706 20 0 DFADHM CC1(C)CCC[C@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820590234 606347326 /nfs/dbraw/zinc/34/73/26/606347326.db2.gz QUSJHSHYDIRFFT-GFCCVEGCSA-N -1 3 318.356 2.706 20 0 DFADHM Cc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000822227297 606348406 /nfs/dbraw/zinc/34/84/06/606348406.db2.gz CNAXOMQZBWCCTB-GFCCVEGCSA-N -1 3 323.356 2.797 20 0 DFADHM Cc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000822227297 606348408 /nfs/dbraw/zinc/34/84/08/606348408.db2.gz CNAXOMQZBWCCTB-GFCCVEGCSA-N -1 3 323.356 2.797 20 0 DFADHM C[C@@H](OC(=O)[C@H](C)c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488849 606357401 /nfs/dbraw/zinc/35/74/01/606357401.db2.gz VTEFCCIUSLALPX-GHMZBOCLSA-N -1 3 312.329 2.868 20 0 DFADHM C[C@@H](OC(=O)[C@H](C)c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488849 606357403 /nfs/dbraw/zinc/35/74/03/606357403.db2.gz VTEFCCIUSLALPX-GHMZBOCLSA-N -1 3 312.329 2.868 20 0 DFADHM C[C@H](Nc1ccn(CC(F)F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461732 606372091 /nfs/dbraw/zinc/37/20/91/606372091.db2.gz QWFFDXBQYSEOKA-VIFPVBQESA-N -1 3 319.319 2.501 20 0 DFADHM C[C@H](Nc1ccn(CC(F)F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461732 606372092 /nfs/dbraw/zinc/37/20/92/606372092.db2.gz QWFFDXBQYSEOKA-VIFPVBQESA-N -1 3 319.319 2.501 20 0 DFADHM CCCC[C@@H](CCC)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821042599 606386857 /nfs/dbraw/zinc/38/68/57/606386857.db2.gz FYTCMORTOOXJSP-GFCCVEGCSA-N -1 3 305.382 2.721 20 0 DFADHM CCCC[C@@H](CCC)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821042599 606386859 /nfs/dbraw/zinc/38/68/59/606386859.db2.gz FYTCMORTOOXJSP-GFCCVEGCSA-N -1 3 305.382 2.721 20 0 DFADHM C[C@@H](OC(=O)c1cc(Cl)c[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507313 606397978 /nfs/dbraw/zinc/39/79/78/606397978.db2.gz GTGBXCYIVCPSEJ-MRVPVSSYSA-N -1 3 317.736 2.766 20 0 DFADHM C[C@@H](OC(=O)c1cc(Cl)c[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507313 606397979 /nfs/dbraw/zinc/39/79/79/606397979.db2.gz GTGBXCYIVCPSEJ-MRVPVSSYSA-N -1 3 317.736 2.766 20 0 DFADHM c1ccc2c(c1)nc(N[C@@H]1CCCSC1)cc2-c1nnn[n-]1 ZINC000823792551 606402258 /nfs/dbraw/zinc/40/22/58/606402258.db2.gz XMCDHBKVAFVIMT-SNVBAGLBSA-N -1 3 312.402 2.722 20 0 DFADHM c1ccc2c(c1)nc(N[C@@H]1CCCSC1)cc2-c1nn[n-]n1 ZINC000823792551 606402259 /nfs/dbraw/zinc/40/22/59/606402259.db2.gz 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606419677 /nfs/dbraw/zinc/41/96/77/606419677.db2.gz VDNWIIBDGKEZGJ-APPZFPTMSA-N -1 3 312.299 2.881 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](C)[C@H]1C ZINC000822331301 606425185 /nfs/dbraw/zinc/42/51/85/606425185.db2.gz CEIHKDIPIICPGY-ZYHUDNBSSA-N -1 3 308.389 2.958 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](C)[C@H]1C ZINC000822331301 606425187 /nfs/dbraw/zinc/42/51/87/606425187.db2.gz CEIHKDIPIICPGY-ZYHUDNBSSA-N -1 3 308.389 2.958 20 0 DFADHM Fc1cccc(C2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000822786706 606426476 /nfs/dbraw/zinc/42/64/76/606426476.db2.gz NJZRDOJYSDALPM-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1cccc(C2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000822786706 606426478 /nfs/dbraw/zinc/42/64/78/606426478.db2.gz NJZRDOJYSDALPM-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM CC(C)[C@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000820046781 606426946 /nfs/dbraw/zinc/42/69/46/606426946.db2.gz UEDZLYVMDBQVBB-IUODEOHRSA-N -1 3 319.384 2.869 20 0 DFADHM 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O=C(NCCC1CCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823183456 606696039 /nfs/dbraw/zinc/69/60/39/606696039.db2.gz XQHUUDJQHVPOBQ-UHFFFAOYSA-N -1 3 320.784 2.832 20 0 DFADHM O=C(NCCC1CCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823183456 606696040 /nfs/dbraw/zinc/69/60/40/606696040.db2.gz XQHUUDJQHVPOBQ-UHFFFAOYSA-N -1 3 320.784 2.832 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1=CCCC1 ZINC000823303727 606735405 /nfs/dbraw/zinc/73/54/05/606735405.db2.gz SRKGFUSBGUPNTJ-UHFFFAOYSA-N -1 3 323.278 2.934 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1=CCCC1 ZINC000823303727 606735407 /nfs/dbraw/zinc/73/54/07/606735407.db2.gz SRKGFUSBGUPNTJ-UHFFFAOYSA-N -1 3 323.278 2.934 20 0 DFADHM CCc1oc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000821559279 606736900 /nfs/dbraw/zinc/73/69/00/606736900.db2.gz ZMADIXVZRAPIEX-UHFFFAOYSA-N -1 3 315.308 2.722 20 0 DFADHM CCc1oc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000821559279 606736902 /nfs/dbraw/zinc/73/69/02/606736902.db2.gz ZMADIXVZRAPIEX-UHFFFAOYSA-N -1 3 315.308 2.722 20 0 DFADHM Cc1nc(COc2cc(Cl)ccc2-c2nnn[n-]2)cs1 ZINC000822444113 606781060 /nfs/dbraw/zinc/78/10/60/606781060.db2.gz BKCGDLPDTPLMKE-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM Cc1nc(COc2cc(Cl)ccc2-c2nn[n-]n2)cs1 ZINC000822444113 606781061 /nfs/dbraw/zinc/78/10/61/606781061.db2.gz BKCGDLPDTPLMKE-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM CCc1c[nH]c(SCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000821465795 606786857 /nfs/dbraw/zinc/78/68/57/606786857.db2.gz PPOKCFLKKDZPJH-UHFFFAOYSA-N -1 3 304.354 2.584 20 0 DFADHM CCc1c[nH]c(SCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000821465795 606786859 /nfs/dbraw/zinc/78/68/59/606786859.db2.gz PPOKCFLKKDZPJH-UHFFFAOYSA-N -1 3 304.354 2.584 20 0 DFADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)C1CCOCC1 ZINC000820451843 606791431 /nfs/dbraw/zinc/79/14/31/606791431.db2.gz XOWOJHRQOBNPRZ-LLVKDONJSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)C1CCOCC1 ZINC000820451843 606791432 /nfs/dbraw/zinc/79/14/32/606791432.db2.gz 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CCc1noc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000821559164 606851676 /nfs/dbraw/zinc/85/16/76/606851676.db2.gz XFIRYBNRQOAGNF-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM C[C@H](Nc1ncnc2c1CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462581 606873186 /nfs/dbraw/zinc/87/31/86/606873186.db2.gz YWAMTKWWASORCM-NSHDSACASA-N -1 3 321.388 2.709 20 0 DFADHM C[C@H](Nc1ncnc2c1CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462581 606873188 /nfs/dbraw/zinc/87/31/88/606873188.db2.gz YWAMTKWWASORCM-NSHDSACASA-N -1 3 321.388 2.709 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@H]1CCC(F)(F)C1 ZINC000822736902 606881556 /nfs/dbraw/zinc/88/15/56/606881556.db2.gz MDPUAFQBYBRKON-ZETCQYMHSA-N -1 3 301.247 2.745 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@H]1CCC(F)(F)C1 ZINC000822736902 606881557 /nfs/dbraw/zinc/88/15/57/606881557.db2.gz MDPUAFQBYBRKON-ZETCQYMHSA-N -1 3 301.247 2.745 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C)C(F)(F)F)n1 ZINC000822193437 606902531 /nfs/dbraw/zinc/90/25/31/606902531.db2.gz XXJQNRBSTXYVFO-ZETCQYMHSA-N -1 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CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccccc1 ZINC000820005174 606985296 /nfs/dbraw/zinc/98/52/96/606985296.db2.gz LSYPMYDZDRCDBC-UHFFFAOYSA-N -1 3 324.340 2.630 20 0 DFADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccccc1 ZINC000820005174 606985297 /nfs/dbraw/zinc/98/52/97/606985297.db2.gz LSYPMYDZDRCDBC-UHFFFAOYSA-N -1 3 324.340 2.630 20 0 DFADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000823426939 606991371 /nfs/dbraw/zinc/99/13/71/606991371.db2.gz RONPWKZUUGQLQT-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000823426939 606991372 /nfs/dbraw/zinc/99/13/72/606991372.db2.gz RONPWKZUUGQLQT-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM CC=C(C=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)CC ZINC000820825721 606993542 /nfs/dbraw/zinc/99/35/42/606993542.db2.gz CDPPQULLMZKWON-QAWIYVKRSA-N -1 3 311.389 2.738 20 0 DFADHM CC=C(C=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)CC ZINC000820825721 606993543 /nfs/dbraw/zinc/99/35/43/606993543.db2.gz CDPPQULLMZKWON-QAWIYVKRSA-N -1 3 311.389 2.738 20 0 DFADHM O=C(CCC1CCC1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822950216 607002369 /nfs/dbraw/zinc/00/23/69/607002369.db2.gz FUCISALIAQSMHA-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(CCC1CCC1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822950216 607002371 /nfs/dbraw/zinc/00/23/71/607002371.db2.gz FUCISALIAQSMHA-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM Fc1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000822782818 607007444 /nfs/dbraw/zinc/00/74/44/607007444.db2.gz ICIDGRNJBGWAHW-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000822782818 607007446 /nfs/dbraw/zinc/00/74/46/607007446.db2.gz ICIDGRNJBGWAHW-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CC(C)(C)CCNC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000819914468 607011631 /nfs/dbraw/zinc/01/16/31/607011631.db2.gz SPMHYDGDRJNVPK-UHFFFAOYSA-N -1 3 319.434 2.511 20 0 DFADHM CC(C)(C)CCNC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000819914468 607011632 /nfs/dbraw/zinc/01/16/32/607011632.db2.gz SPMHYDGDRJNVPK-UHFFFAOYSA-N -1 3 319.434 2.511 20 0 DFADHM CC(C)OC(=O)O[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000820142051 607016345 /nfs/dbraw/zinc/01/63/45/607016345.db2.gz DVJKIYJTQPWVQG-VIFPVBQESA-N -1 3 308.363 2.866 20 0 DFADHM CC(C)OC(=O)O[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000820142051 607016346 /nfs/dbraw/zinc/01/63/46/607016346.db2.gz DVJKIYJTQPWVQG-VIFPVBQESA-N -1 3 308.363 2.866 20 0 DFADHM CCCCOC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821072990 607016785 /nfs/dbraw/zinc/01/67/85/607016785.db2.gz XGCJEBWKEJGTDD-JTQLQIEISA-N -1 3 306.391 2.691 20 0 DFADHM CCCCOC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821072990 607016787 /nfs/dbraw/zinc/01/67/87/607016787.db2.gz XGCJEBWKEJGTDD-JTQLQIEISA-N -1 3 306.391 2.691 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000821699168 607023747 /nfs/dbraw/zinc/02/37/47/607023747.db2.gz FFNCJQPWJIQWEG-MNOVXSKESA-N -1 3 316.361 2.607 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000821699168 607023748 /nfs/dbraw/zinc/02/37/48/607023748.db2.gz FFNCJQPWJIQWEG-MNOVXSKESA-N -1 3 316.361 2.607 20 0 DFADHM Fc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000822782700 607033707 /nfs/dbraw/zinc/03/37/07/607033707.db2.gz BILSLMJBNMMNQN-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000822782700 607033708 /nfs/dbraw/zinc/03/37/08/607033708.db2.gz BILSLMJBNMMNQN-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CCC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)c(F)c1 ZINC000820842268 607034826 /nfs/dbraw/zinc/03/48/26/607034826.db2.gz LHMYOVYDAJFFQF-UHFFFAOYSA-N -1 3 313.292 2.786 20 0 DFADHM CCC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)c(F)c1 ZINC000820842268 607034827 /nfs/dbraw/zinc/03/48/27/607034827.db2.gz LHMYOVYDAJFFQF-UHFFFAOYSA-N -1 3 313.292 2.786 20 0 DFADHM COc1ccc(CNc2ncccc2-c2nnn[n-]2)cc1Cl ZINC000821823709 607038754 /nfs/dbraw/zinc/03/87/54/607038754.db2.gz BBLHCKAFVNWQIX-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(CNc2ncccc2-c2nn[n-]n2)cc1Cl ZINC000821823709 607038756 /nfs/dbraw/zinc/03/87/56/607038756.db2.gz BBLHCKAFVNWQIX-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CC(C)CO[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820097412 607044151 /nfs/dbraw/zinc/04/41/51/607044151.db2.gz OEBGBOXRFWHHLA-GFCCVEGCSA-N -1 3 321.812 2.771 20 0 DFADHM CC(C)CO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820097412 607044153 /nfs/dbraw/zinc/04/41/53/607044153.db2.gz OEBGBOXRFWHHLA-GFCCVEGCSA-N -1 3 321.812 2.771 20 0 DFADHM CC(C)C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820067251 607051977 /nfs/dbraw/zinc/05/19/77/607051977.db2.gz HLPDNBFEPHELGR-LLVKDONJSA-N -1 3 319.434 2.827 20 0 DFADHM CC(C)C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820067251 607051979 /nfs/dbraw/zinc/05/19/79/607051979.db2.gz HLPDNBFEPHELGR-LLVKDONJSA-N -1 3 319.434 2.827 20 0 DFADHM CCC[C@@H](C)CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821015326 607080167 /nfs/dbraw/zinc/08/01/67/607080167.db2.gz PCPIDQPONZLMFW-SNVBAGLBSA-N -1 3 306.341 2.875 20 0 DFADHM CCC[C@@H](C)CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821015326 607080168 /nfs/dbraw/zinc/08/01/68/607080168.db2.gz PCPIDQPONZLMFW-SNVBAGLBSA-N -1 3 306.341 2.875 20 0 DFADHM CC(C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)=C1CCCC1 ZINC000819883236 607085140 /nfs/dbraw/zinc/08/51/40/607085140.db2.gz GCVZUIVFKGORBL-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM CC(C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)=C1CCCC1 ZINC000819883236 607085142 /nfs/dbraw/zinc/08/51/42/607085142.db2.gz GCVZUIVFKGORBL-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820684469 607090276 /nfs/dbraw/zinc/09/02/76/607090276.db2.gz QDKQJJNLPMMZHD-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820684469 607090278 /nfs/dbraw/zinc/09/02/78/607090278.db2.gz QDKQJJNLPMMZHD-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@]1(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000820633877 607115252 /nfs/dbraw/zinc/11/52/52/607115252.db2.gz 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/nfs/dbraw/zinc/13/17/52/607131752.db2.gz LJZHDWJJPGKDTK-FPLPWBNLSA-N -1 3 311.389 2.576 20 0 DFADHM CCCC1(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000821034380 607131754 /nfs/dbraw/zinc/13/17/54/607131754.db2.gz LJZHDWJJPGKDTK-FPLPWBNLSA-N -1 3 311.389 2.576 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@@H]1CCOC2(CCC2)C1 ZINC000822737213 607132804 /nfs/dbraw/zinc/13/28/04/607132804.db2.gz QNWJMWFFIDOCIT-SNVBAGLBSA-N -1 3 321.331 2.659 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H]1CCOC2(CCC2)C1 ZINC000822737213 607132805 /nfs/dbraw/zinc/13/28/05/607132805.db2.gz QNWJMWFFIDOCIT-SNVBAGLBSA-N -1 3 321.331 2.659 20 0 DFADHM Fc1cccc(N[C@@H]2CCOC3(CCC3)C2)c1-c1nnn[n-]1 ZINC000822792501 607133508 /nfs/dbraw/zinc/13/35/08/607133508.db2.gz YUJOHBBJWANOLR-SNVBAGLBSA-N -1 3 303.341 2.519 20 0 DFADHM Fc1cccc(N[C@@H]2CCOC3(CCC3)C2)c1-c1nn[n-]n1 ZINC000822792501 607133510 /nfs/dbraw/zinc/13/35/10/607133510.db2.gz YUJOHBBJWANOLR-SNVBAGLBSA-N -1 3 303.341 2.519 20 0 DFADHM Cc1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822263794 607136588 /nfs/dbraw/zinc/13/65/88/607136588.db2.gz ZLGJSGGMFPHBIS-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822263794 607136590 /nfs/dbraw/zinc/13/65/90/607136590.db2.gz ZLGJSGGMFPHBIS-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1cccc(OCCOc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822328161 607138643 /nfs/dbraw/zinc/13/86/43/607138643.db2.gz MEFDXJYXQRBJFT-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1cccc(OCCOc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822328161 607138644 /nfs/dbraw/zinc/13/86/44/607138644.db2.gz MEFDXJYXQRBJFT-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Fc1ccc(COc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000822771148 607138851 /nfs/dbraw/zinc/13/88/51/607138851.db2.gz DFEZELZXQRDTGM-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(COc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000822771148 607138853 /nfs/dbraw/zinc/13/88/53/607138853.db2.gz DFEZELZXQRDTGM-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1=CCCC1 ZINC000820116640 607153104 /nfs/dbraw/zinc/15/31/04/607153104.db2.gz LHSULTYWDNWMBZ-UHFFFAOYSA-N -1 3 311.389 2.714 20 0 DFADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1=CCCC1 ZINC000820116640 607153105 /nfs/dbraw/zinc/15/31/05/607153105.db2.gz LHSULTYWDNWMBZ-UHFFFAOYSA-N -1 3 311.389 2.714 20 0 DFADHM CCN(C(=O)C1=CCCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148959 607153668 /nfs/dbraw/zinc/15/36/68/607153668.db2.gz QUJGRTHYIVTSEP-LBPRGKRZSA-N -1 3 311.389 2.887 20 0 DFADHM CCN(C(=O)C1=CCCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148959 607153669 /nfs/dbraw/zinc/15/36/69/607153669.db2.gz QUJGRTHYIVTSEP-LBPRGKRZSA-N -1 3 311.389 2.887 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C1=CCCC1 ZINC000820151276 607156519 /nfs/dbraw/zinc/15/65/19/607156519.db2.gz FVPBOXDUOBIYAJ-UHFFFAOYSA-N -1 3 313.361 2.703 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C1=CCCC1 ZINC000820151276 607156520 /nfs/dbraw/zinc/15/65/20/607156520.db2.gz FVPBOXDUOBIYAJ-UHFFFAOYSA-N -1 3 313.361 2.703 20 0 DFADHM CCc1cnc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000821499078 607167215 /nfs/dbraw/zinc/16/72/15/607167215.db2.gz CQEYSMPCSRZWQL-UHFFFAOYSA-N -1 3 304.741 2.683 20 0 DFADHM CCc1cnc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000821499078 607167217 /nfs/dbraw/zinc/16/72/17/607167217.db2.gz CQEYSMPCSRZWQL-UHFFFAOYSA-N -1 3 304.741 2.683 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1cnc(Cl)s1 ZINC000822221660 607169757 /nfs/dbraw/zinc/16/97/57/607169757.db2.gz ZSOFTTHDFVQITI-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1cnc(Cl)s1 ZINC000822221660 607169758 /nfs/dbraw/zinc/16/97/58/607169758.db2.gz ZSOFTTHDFVQITI-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM CCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820962286 607197354 /nfs/dbraw/zinc/19/73/54/607197354.db2.gz NDHWEXCNHQURMO-UHFFFAOYSA-N -1 3 320.784 2.832 20 0 DFADHM CCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820962286 607197355 /nfs/dbraw/zinc/19/73/55/607197355.db2.gz NDHWEXCNHQURMO-UHFFFAOYSA-N -1 3 320.784 2.832 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1C[C@H]2CCC[C@@H]21 ZINC000823313913 607198473 /nfs/dbraw/zinc/19/84/73/607198473.db2.gz LVAMLZWRWHDSGO-SKDRFNHKSA-N -1 3 318.768 2.536 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1C[C@H]2CCC[C@@H]21 ZINC000823313913 607198474 /nfs/dbraw/zinc/19/84/74/607198474.db2.gz LVAMLZWRWHDSGO-SKDRFNHKSA-N -1 3 318.768 2.536 20 0 DFADHM CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCC1 ZINC000821154340 607199168 /nfs/dbraw/zinc/19/91/68/607199168.db2.gz MEBCVXLGQGPKGY-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCC1 ZINC000821154340 607199169 /nfs/dbraw/zinc/19/91/69/607199169.db2.gz MEBCVXLGQGPKGY-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820590011 607202491 /nfs/dbraw/zinc/20/24/91/607202491.db2.gz OVNXHMFQKUKEPT-VIFPVBQESA-N -1 3 320.784 2.688 20 0 DFADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820590011 607202492 /nfs/dbraw/zinc/20/24/92/607202492.db2.gz OVNXHMFQKUKEPT-VIFPVBQESA-N -1 3 320.784 2.688 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C[C@@H]1C ZINC000820743866 607203255 /nfs/dbraw/zinc/20/32/55/607203255.db2.gz WCEJNYUGTZLSNT-IUCAKERBSA-N -1 3 320.784 2.640 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@@H]1C ZINC000820743866 607203256 /nfs/dbraw/zinc/20/32/56/607203256.db2.gz WCEJNYUGTZLSNT-IUCAKERBSA-N -1 3 320.784 2.640 20 0 DFADHM CC[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820978863 607204154 /nfs/dbraw/zinc/20/41/54/607204154.db2.gz DPJZOMYXEAOWBU-VIFPVBQESA-N -1 3 320.784 2.784 20 0 DFADHM CC[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820978863 607204155 /nfs/dbraw/zinc/20/41/55/607204155.db2.gz DPJZOMYXEAOWBU-VIFPVBQESA-N -1 3 320.784 2.784 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CC2CCC1CC2 ZINC000822929470 607225157 /nfs/dbraw/zinc/22/51/57/607225157.db2.gz UWTSAEXHZVPDNR-SYPHOHEQSA-N -1 3 323.400 2.575 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CC2CCC1CC2 ZINC000822929470 607225158 /nfs/dbraw/zinc/22/51/58/607225158.db2.gz UWTSAEXHZVPDNR-SYPHOHEQSA-N -1 3 323.400 2.575 20 0 DFADHM Fc1ccc(CCSc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000822766271 607225238 /nfs/dbraw/zinc/22/52/38/607225238.db2.gz HEENYCDTNBLRRX-UHFFFAOYSA-N -1 3 319.340 2.875 20 0 DFADHM Fc1ccc(CCSc2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000822766271 607225239 /nfs/dbraw/zinc/22/52/39/607225239.db2.gz HEENYCDTNBLRRX-UHFFFAOYSA-N -1 3 319.340 2.875 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(Cl)cc2)n1 ZINC000822215427 607225687 /nfs/dbraw/zinc/22/56/87/607225687.db2.gz ZYKGYNKXDZIHAX-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(Cl)cc2)n1 ZINC000822215427 607225688 /nfs/dbraw/zinc/22/56/88/607225688.db2.gz ZYKGYNKXDZIHAX-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccccc2Cl)n1 ZINC000822215027 607225772 /nfs/dbraw/zinc/22/57/72/607225772.db2.gz JJWYBSZLIDQPAH-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccccc2Cl)n1 ZINC000822215027 607225773 /nfs/dbraw/zinc/22/57/73/607225773.db2.gz JJWYBSZLIDQPAH-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCSCC1 ZINC000823314863 607242682 /nfs/dbraw/zinc/24/26/82/607242682.db2.gz SWNVRIOURJFVFE-UHFFFAOYSA-N -1 3 323.809 2.602 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCSCC1 ZINC000823314863 607242683 /nfs/dbraw/zinc/24/26/83/607242683.db2.gz SWNVRIOURJFVFE-UHFFFAOYSA-N -1 3 323.809 2.602 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(F)(F)F ZINC000819866168 607243388 /nfs/dbraw/zinc/24/33/88/607243388.db2.gz KCMKRLHQAPFLPK-YFKPBYRVSA-N -1 3 319.674 2.657 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820685147 607244973 /nfs/dbraw/zinc/24/49/73/607244973.db2.gz SVUBYYRNVBLGJV-ZJUUUORDSA-N -1 3 304.325 2.738 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820685147 607244974 /nfs/dbraw/zinc/24/49/74/607244974.db2.gz SVUBYYRNVBLGJV-ZJUUUORDSA-N -1 3 304.325 2.738 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820691787 607246793 /nfs/dbraw/zinc/24/67/93/607246793.db2.gz ZKQDJYZEKFCZCK-GXSJLCMTSA-N -1 3 304.325 2.738 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820691787 607246794 /nfs/dbraw/zinc/24/67/94/607246794.db2.gz ZKQDJYZEKFCZCK-GXSJLCMTSA-N -1 3 304.325 2.738 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000819884016 607246844 /nfs/dbraw/zinc/24/68/44/607246844.db2.gz QRYCRLPMLAAKTI-QMMMGPOBSA-N -1 3 318.333 2.776 20 0 DFADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000819884016 607246845 /nfs/dbraw/zinc/24/68/45/607246845.db2.gz QRYCRLPMLAAKTI-QMMMGPOBSA-N -1 3 318.333 2.776 20 0 DFADHM CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC000820950959 607250396 /nfs/dbraw/zinc/25/03/96/607250396.db2.gz TUCZKYVSABRVDE-UHFFFAOYSA-N -1 3 304.325 2.882 20 0 DFADHM CCC1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000820950959 607250397 /nfs/dbraw/zinc/25/03/97/607250397.db2.gz TUCZKYVSABRVDE-UHFFFAOYSA-N -1 3 304.325 2.882 20 0 DFADHM Cc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000822227677 607250432 /nfs/dbraw/zinc/25/04/32/607250432.db2.gz REYMNHFDJOFVDA-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000822227677 607250433 /nfs/dbraw/zinc/25/04/33/607250433.db2.gz REYMNHFDJOFVDA-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c2ccccc21 ZINC000824919066 607775155 /nfs/dbraw/zinc/77/51/55/607775155.db2.gz RQEUNYMAPQMXCU-MFKMUULPSA-N -1 3 322.372 2.563 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c2ccccc21 ZINC000824919066 607775156 /nfs/dbraw/zinc/77/51/56/607775156.db2.gz RQEUNYMAPQMXCU-MFKMUULPSA-N -1 3 322.372 2.563 20 0 DFADHM CC[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC000825122158 607778039 /nfs/dbraw/zinc/77/80/39/607778039.db2.gz XKDVAAIKGRHBQC-NSHDSACASA-N -1 3 311.345 2.545 20 0 DFADHM Cc1ccc(C)c(CC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826285267 607790180 /nfs/dbraw/zinc/79/01/80/607790180.db2.gz UGDDCEQAIFCOFP-UHFFFAOYSA-N -1 3 321.384 2.689 20 0 DFADHM Cc1ccc(C)c(CC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826285267 607790181 /nfs/dbraw/zinc/79/01/81/607790181.db2.gz UGDDCEQAIFCOFP-UHFFFAOYSA-N -1 3 321.384 2.689 20 0 DFADHM Cc1cc(Cl)ncc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826267413 607812171 /nfs/dbraw/zinc/81/21/71/607812171.db2.gz DUQKGPRZQLCCBS-UHFFFAOYSA-N -1 3 319.727 2.942 20 0 DFADHM Cc1cc(Cl)ncc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826267413 607812172 /nfs/dbraw/zinc/81/21/72/607812172.db2.gz DUQKGPRZQLCCBS-UHFFFAOYSA-N -1 3 319.727 2.942 20 0 DFADHM CN(Cc1ccc(Cl)s1)c1cnccc1-c1nnn[n-]1 ZINC000825965678 607838654 /nfs/dbraw/zinc/83/86/54/607838654.db2.gz BVBDVPNSCLEERJ-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM C[C@@H]1OCC[C@@H]1SCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825021701 607845287 /nfs/dbraw/zinc/84/52/87/607845287.db2.gz TVGLUZRZHYVXCM-FZMZJTMJSA-N -1 3 320.418 2.546 20 0 DFADHM O[C@H](COc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505139 607869731 /nfs/dbraw/zinc/86/97/31/607869731.db2.gz NMRPZQKASTVQKU-CQSZACIVSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@H](COc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505139 607869732 /nfs/dbraw/zinc/86/97/32/607869732.db2.gz NMRPZQKASTVQKU-CQSZACIVSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@@H](COc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505138 607869753 /nfs/dbraw/zinc/86/97/53/607869753.db2.gz NMRPZQKASTVQKU-AWEZNQCLSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@@H](COc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505138 607869754 /nfs/dbraw/zinc/86/97/54/607869754.db2.gz NMRPZQKASTVQKU-AWEZNQCLSA-N -1 3 316.748 2.633 20 0 DFADHM Cc1cc(C)cc([C@H](O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000826264652 607870325 /nfs/dbraw/zinc/87/03/25/607870325.db2.gz VPXFXKFBTSMNRS-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cc(C)cc([C@H](O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000826264652 607870326 /nfs/dbraw/zinc/87/03/26/607870326.db2.gz VPXFXKFBTSMNRS-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM CS[C@H](C)CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826224819 607931296 /nfs/dbraw/zinc/93/12/96/607931296.db2.gz MLDAATJKBMVVQU-SSDOTTSWSA-N -1 3 311.798 2.600 20 0 DFADHM CS[C@H](C)CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826224819 607931297 /nfs/dbraw/zinc/93/12/97/607931297.db2.gz MLDAATJKBMVVQU-SSDOTTSWSA-N -1 3 311.798 2.600 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC=C(C(F)(F)F)CC2)n1 ZINC000826262380 607935853 /nfs/dbraw/zinc/93/58/53/607935853.db2.gz NHZVWBPOSQVXHC-UHFFFAOYSA-N -1 3 324.310 2.577 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC=C(C(F)(F)F)CC2)n1 ZINC000826262380 607935854 /nfs/dbraw/zinc/93/58/54/607935854.db2.gz NHZVWBPOSQVXHC-UHFFFAOYSA-N -1 3 324.310 2.577 20 0 DFADHM Fc1cccc2c1CCN(c1cccc(F)c1-c1nnn[n-]1)C2 ZINC000826378019 607937078 /nfs/dbraw/zinc/93/70/78/607937078.db2.gz RCRWQIFOEFVDRX-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1cccc2c1CCN(c1cccc(F)c1-c1nn[n-]n1)C2 ZINC000826378019 607937079 /nfs/dbraw/zinc/93/70/79/607937079.db2.gz RCRWQIFOEFVDRX-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Cc1cc(F)cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826268381 607946281 /nfs/dbraw/zinc/94/62/81/607946281.db2.gz VBZDYZRDLMDZEW-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM Cc1cc(F)cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826268381 607946282 /nfs/dbraw/zinc/94/62/82/607946282.db2.gz VBZDYZRDLMDZEW-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM O=C(CC1=CCCCC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826404364 607950114 /nfs/dbraw/zinc/95/01/14/607950114.db2.gz XMJQNGRNNURMNP-UHFFFAOYSA-N -1 3 309.373 2.646 20 0 DFADHM O=C(CC1=CCCCC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826404364 607950115 /nfs/dbraw/zinc/95/01/15/607950115.db2.gz XMJQNGRNNURMNP-UHFFFAOYSA-N -1 3 309.373 2.646 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)C1CCC(F)(F)CC1 ZINC000826468379 607985990 /nfs/dbraw/zinc/98/59/90/607985990.db2.gz NUUXMTOXYSCMPI-UHFFFAOYSA-N -1 3 308.288 2.598 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)C1CCC(F)(F)CC1 ZINC000826468379 607985991 /nfs/dbraw/zinc/98/59/91/607985991.db2.gz NUUXMTOXYSCMPI-UHFFFAOYSA-N -1 3 308.288 2.598 20 0 DFADHM C[C@H](OC(=O)C=Cc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824715466 607989837 /nfs/dbraw/zinc/98/98/37/607989837.db2.gz SHRUJVGWHNLGPZ-GUOLPTJISA-N -1 3 321.340 2.579 20 0 DFADHM C[C@H](OC(=O)C=Cc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824715466 607989838 /nfs/dbraw/zinc/98/98/38/607989838.db2.gz SHRUJVGWHNLGPZ-GUOLPTJISA-N -1 3 321.340 2.579 20 0 DFADHM C[C@@H]1CSC(SCc2cc(-c3nnn[n-]3)ccc2F)=N1 ZINC000825014469 608013951 /nfs/dbraw/zinc/01/39/51/608013951.db2.gz VZLADNJEEBNZCR-SSDOTTSWSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@@H]1CSC(SCc2cc(-c3nn[n-]n3)ccc2F)=N1 ZINC000825014469 608013952 /nfs/dbraw/zinc/01/39/52/608013952.db2.gz VZLADNJEEBNZCR-SSDOTTSWSA-N -1 3 309.395 2.730 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCc2ccsc2C1 ZINC000826350908 608019174 /nfs/dbraw/zinc/01/91/74/608019174.db2.gz PTRKJUSGKCWYTD-UHFFFAOYSA-N -1 3 318.793 2.539 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCc2ccsc2C1 ZINC000826350908 608019175 /nfs/dbraw/zinc/01/91/75/608019175.db2.gz PTRKJUSGKCWYTD-UHFFFAOYSA-N -1 3 318.793 2.539 20 0 DFADHM CCN(Cc1ncc(C)cn1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825444112 608032072 /nfs/dbraw/zinc/03/20/72/608032072.db2.gz JEDSQVXQEYKNIL-ZDUSSCGKSA-N -1 3 323.404 2.548 20 0 DFADHM CCN(Cc1ncc(C)cn1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444112 608032073 /nfs/dbraw/zinc/03/20/73/608032073.db2.gz JEDSQVXQEYKNIL-ZDUSSCGKSA-N -1 3 323.404 2.548 20 0 DFADHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2Br)[C@H]1C ZINC000824961857 608050562 /nfs/dbraw/zinc/05/05/62/608050562.db2.gz KDDKEFCQWBIFCP-BDAKNGLRSA-N -1 3 322.210 2.864 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000825097328 608058997 /nfs/dbraw/zinc/05/89/97/608058997.db2.gz VOSQROMMVVASAP-SNVBAGLBSA-N -1 3 319.384 2.694 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000825097328 608058998 /nfs/dbraw/zinc/05/89/98/608058998.db2.gz VOSQROMMVVASAP-SNVBAGLBSA-N -1 3 319.384 2.694 20 0 DFADHM CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)OCc1ccccc1 ZINC000825965734 608063702 /nfs/dbraw/zinc/06/37/02/608063702.db2.gz FLFPGOHBDXLHLE-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CN(Cc1ccc(F)c(-c2nn[n-]n2)c1)OCc1ccccc1 ZINC000825965734 608063703 /nfs/dbraw/zinc/06/37/03/608063703.db2.gz FLFPGOHBDXLHLE-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824907263 608078544 /nfs/dbraw/zinc/07/85/44/608078544.db2.gz HKCUVQUXHMEYOD-ZJUUUORDSA-N -1 3 318.356 2.658 20 0 DFADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824907263 608078545 /nfs/dbraw/zinc/07/85/45/608078545.db2.gz HKCUVQUXHMEYOD-ZJUUUORDSA-N -1 3 318.356 2.658 20 0 DFADHM c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000826514632 608099242 /nfs/dbraw/zinc/09/92/42/608099242.db2.gz XNCZIIPEIXNHRA-JHJVBQTASA-N -1 3 319.459 2.658 20 0 DFADHM CN(C)c1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000825883676 608112352 /nfs/dbraw/zinc/11/23/52/608112352.db2.gz JYZOJKBRIOMBJB-UHFFFAOYSA-N -1 3 300.391 2.606 20 0 DFADHM CN(C)c1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000825883676 608112353 /nfs/dbraw/zinc/11/23/53/608112353.db2.gz JYZOJKBRIOMBJB-UHFFFAOYSA-N -1 3 300.391 2.606 20 0 DFADHM CCC[C@@H](C(=O)OCc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825225783 608117552 /nfs/dbraw/zinc/11/75/52/608117552.db2.gz XNCJLUNLBMYXSP-CYBMUJFWSA-N -1 3 302.378 2.982 20 0 DFADHM CCC[C@@H](C(=O)OCc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825225783 608117553 /nfs/dbraw/zinc/11/75/53/608117553.db2.gz XNCJLUNLBMYXSP-CYBMUJFWSA-N -1 3 302.378 2.982 20 0 DFADHM CC(C)c1cnc(CNCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000824352548 608128204 /nfs/dbraw/zinc/12/82/04/608128204.db2.gz ICHWHHJAUDKMBR-UHFFFAOYSA-N -1 3 314.418 2.736 20 0 DFADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2)nn1[C@@H](C)C1CC1 ZINC000826271608 608133885 /nfs/dbraw/zinc/13/38/85/608133885.db2.gz YSAGFCXPYRECJE-LBPRGKRZSA-N -1 3 323.404 2.955 20 0 DFADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)nn1[C@@H](C)C1CC1 ZINC000826271608 608133886 /nfs/dbraw/zinc/13/38/86/608133886.db2.gz YSAGFCXPYRECJE-LBPRGKRZSA-N -1 3 323.404 2.955 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000826244459 608139871 /nfs/dbraw/zinc/13/98/71/608139871.db2.gz TWGVEGGGKMVQLA-NSHDSACASA-N -1 3 313.405 2.683 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000826244459 608139872 /nfs/dbraw/zinc/13/98/72/608139872.db2.gz TWGVEGGGKMVQLA-NSHDSACASA-N -1 3 313.405 2.683 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1cc(F)cc(F)c1 ZINC000826184740 608152350 /nfs/dbraw/zinc/15/23/50/608152350.db2.gz JAEQZMKSFNQIDN-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1cc(F)cc(F)c1 ZINC000826184740 608152351 /nfs/dbraw/zinc/15/23/51/608152351.db2.gz JAEQZMKSFNQIDN-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM c1cc(COc2ccc3c(c2)OCCCO3)cc(-c2nnn[n-]2)c1 ZINC000826516457 608152671 /nfs/dbraw/zinc/15/26/71/608152671.db2.gz LPPYWYHHIAXZGR-UHFFFAOYSA-N -1 3 324.340 2.607 20 0 DFADHM c1cc(COc2ccc3c(c2)OCCCO3)cc(-c2nn[n-]n2)c1 ZINC000826516457 608152672 /nfs/dbraw/zinc/15/26/72/608152672.db2.gz LPPYWYHHIAXZGR-UHFFFAOYSA-N -1 3 324.340 2.607 20 0 DFADHM O=C1CCCc2c(OCc3cccc(-c4nnn[n-]4)c3)cccc21 ZINC000826480749 608152859 /nfs/dbraw/zinc/15/28/59/608152859.db2.gz OVDBGLMEGWIDAT-UHFFFAOYSA-N -1 3 320.352 2.965 20 0 DFADHM O=C1CCCc2c(OCc3cccc(-c4nn[n-]n4)c3)cccc21 ZINC000826480749 608152862 /nfs/dbraw/zinc/15/28/62/608152862.db2.gz OVDBGLMEGWIDAT-UHFFFAOYSA-N -1 3 320.352 2.965 20 0 DFADHM CCC[C@@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)C(C)C ZINC000825225330 608159731 /nfs/dbraw/zinc/15/97/31/608159731.db2.gz RRRTWCACWVHADD-GFCCVEGCSA-N -1 3 301.394 2.902 20 0 DFADHM CCC[C@@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)C(C)C ZINC000825225330 608159732 /nfs/dbraw/zinc/15/97/32/608159732.db2.gz RRRTWCACWVHADD-GFCCVEGCSA-N -1 3 301.394 2.902 20 0 DFADHM CCCCO[C@H](C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825291145 608182398 /nfs/dbraw/zinc/18/23/98/608182398.db2.gz MQMNQPNKSFFCDL-VXGBXAGGSA-N -1 3 318.377 2.676 20 0 DFADHM CCCCO[C@H](C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825291145 608182400 /nfs/dbraw/zinc/18/24/00/608182400.db2.gz MQMNQPNKSFFCDL-VXGBXAGGSA-N -1 3 318.377 2.676 20 0 DFADHM C[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000826232085 608188420 /nfs/dbraw/zinc/18/84/20/608188420.db2.gz KWLRKGJDXJJIDN-LLVKDONJSA-N -1 3 312.329 2.697 20 0 DFADHM C[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000826232085 608188419 /nfs/dbraw/zinc/18/84/19/608188419.db2.gz KWLRKGJDXJJIDN-LLVKDONJSA-N -1 3 312.329 2.697 20 0 DFADHM Fc1ccc(CC2(CNc3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826374190 608194935 /nfs/dbraw/zinc/19/49/35/608194935.db2.gz PAXUJXSSAKMAQX-UHFFFAOYSA-N -1 3 324.363 2.836 20 0 DFADHM Fc1ccc(CC2(CNc3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826374190 608194936 /nfs/dbraw/zinc/19/49/36/608194936.db2.gz PAXUJXSSAKMAQX-UHFFFAOYSA-N -1 3 324.363 2.836 20 0 DFADHM C[C@H]1C[C@@H](CNc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824886122 608195798 /nfs/dbraw/zinc/19/57/98/608195798.db2.gz VXJIVRJEIRBZOS-UWVGGRQHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H]1C[C@@H](CNc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824886122 608195800 /nfs/dbraw/zinc/19/58/00/608195800.db2.gz VXJIVRJEIRBZOS-UWVGGRQHSA-N -1 3 307.785 2.747 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@H](C)C3(CCC3)C2)n1 ZINC000826262751 608196546 /nfs/dbraw/zinc/19/65/46/608196546.db2.gz XDCGXCFVEZUTOM-LBPRGKRZSA-N -1 3 312.421 2.895 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@H](C)C3(CCC3)C2)n1 ZINC000826262751 608196548 /nfs/dbraw/zinc/19/65/48/608196548.db2.gz XDCGXCFVEZUTOM-LBPRGKRZSA-N -1 3 312.421 2.895 20 0 DFADHM CCC1(CC)[C@H](Nc2ncccc2-c2nnn[n-]2)[C@H](C)[C@H]1OC ZINC000825171415 608197075 /nfs/dbraw/zinc/19/70/75/608197075.db2.gz PBOSRNCXRLRCJI-CYZMBNFOSA-N -1 3 316.409 2.513 20 0 DFADHM CCC1(CC)[C@H](Nc2ncccc2-c2nn[n-]n2)[C@H](C)[C@H]1OC ZINC000825171415 608197077 /nfs/dbraw/zinc/19/70/77/608197077.db2.gz PBOSRNCXRLRCJI-CYZMBNFOSA-N -1 3 316.409 2.513 20 0 DFADHM c1cc2nc(NCCOC3CCCC3)ccc2cc1-c1nnn[n-]1 ZINC000826518430 608226227 /nfs/dbraw/zinc/22/62/27/608226227.db2.gz NSDOYJAXJMPTTF-UHFFFAOYSA-N -1 3 324.388 2.786 20 0 DFADHM c1cc2nc(NCCOC3CCCC3)ccc2cc1-c1nn[n-]n1 ZINC000826518430 608226228 /nfs/dbraw/zinc/22/62/28/608226228.db2.gz NSDOYJAXJMPTTF-UHFFFAOYSA-N -1 3 324.388 2.786 20 0 DFADHM CC1(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCOCC1 ZINC000824831404 608231304 /nfs/dbraw/zinc/23/13/04/608231304.db2.gz NUCDYKDMIPZLEN-UHFFFAOYSA-N -1 3 324.388 2.644 20 0 DFADHM CC1(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCOCC1 ZINC000824831404 608231306 /nfs/dbraw/zinc/23/13/06/608231306.db2.gz NUCDYKDMIPZLEN-UHFFFAOYSA-N -1 3 324.388 2.644 20 0 DFADHM CN(Cc1nccs1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825999194 608231773 /nfs/dbraw/zinc/23/17/73/608231773.db2.gz PZAYKXLTAXNGOM-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CN(Cc1nccs1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825999194 608231774 /nfs/dbraw/zinc/23/17/74/608231774.db2.gz PZAYKXLTAXNGOM-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CC1(C)C[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000824788963 608234645 /nfs/dbraw/zinc/23/46/45/608234645.db2.gz DVYZTHSCCZLYGA-ZDUSSCGKSA-N -1 3 324.388 2.784 20 0 DFADHM CC1(C)C[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000824788963 608234647 /nfs/dbraw/zinc/23/46/47/608234647.db2.gz DVYZTHSCCZLYGA-ZDUSSCGKSA-N -1 3 324.388 2.784 20 0 DFADHM CC(C)(CCCO)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824152813 608243936 /nfs/dbraw/zinc/24/39/36/608243936.db2.gz OLDKSIZNSOOMCN-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CC(C)(CCCO)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824152813 608243937 /nfs/dbraw/zinc/24/39/37/608243937.db2.gz OLDKSIZNSOOMCN-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM Fc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000826376757 608273190 /nfs/dbraw/zinc/27/31/90/608273190.db2.gz QNTTYENAOKAYIV-UHFFFAOYSA-N -1 3 324.363 2.892 20 0 DFADHM Fc1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000826376757 608273191 /nfs/dbraw/zinc/27/31/91/608273191.db2.gz QNTTYENAOKAYIV-UHFFFAOYSA-N -1 3 324.363 2.892 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](C)N(C)c2ccccc2)n1 ZINC000826275500 608274045 /nfs/dbraw/zinc/27/40/45/608274045.db2.gz BFOHJHRVSNPFNE-ZDUSSCGKSA-N -1 3 323.404 2.507 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](C)N(C)c2ccccc2)n1 ZINC000826275500 608274047 /nfs/dbraw/zinc/27/40/47/608274047.db2.gz BFOHJHRVSNPFNE-ZDUSSCGKSA-N -1 3 323.404 2.507 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCOc2c(C)cccc2C)n1 ZINC000826276342 608275887 /nfs/dbraw/zinc/27/58/87/608275887.db2.gz BFPCVPXFUOZXKU-UHFFFAOYSA-N -1 3 324.388 2.678 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCOc2c(C)cccc2C)n1 ZINC000826276342 608275890 /nfs/dbraw/zinc/27/58/90/608275890.db2.gz BFPCVPXFUOZXKU-UHFFFAOYSA-N -1 3 324.388 2.678 20 0 DFADHM CCC1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000825201206 608276586 /nfs/dbraw/zinc/27/65/86/608276586.db2.gz FNVXBEMOPMJHGS-UHFFFAOYSA-N -1 3 312.421 2.767 20 0 DFADHM CCC1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000825201206 608276587 /nfs/dbraw/zinc/27/65/87/608276587.db2.gz FNVXBEMOPMJHGS-UHFFFAOYSA-N -1 3 312.421 2.767 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCc3cc(F)ccc32)n1 ZINC000826275868 608277033 /nfs/dbraw/zinc/27/70/33/608277033.db2.gz MYCWWYHMISMANI-CQSZACIVSA-N -1 3 310.336 2.809 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCc3cc(F)ccc32)n1 ZINC000826275868 608277036 /nfs/dbraw/zinc/27/70/36/608277036.db2.gz MYCWWYHMISMANI-CQSZACIVSA-N -1 3 310.336 2.809 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC000824947693 608283210 /nfs/dbraw/zinc/28/32/10/608283210.db2.gz QASXBZZMIPSADN-NXEZZACHSA-N -1 3 318.356 2.516 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC000824947693 608283213 /nfs/dbraw/zinc/28/32/13/608283213.db2.gz QASXBZZMIPSADN-NXEZZACHSA-N -1 3 318.356 2.516 20 0 DFADHM CS[C@@H]1CCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC000826227488 608287800 /nfs/dbraw/zinc/28/78/00/608287800.db2.gz RPJLGYQIPVXYNE-GHMZBOCLSA-N -1 3 304.423 2.656 20 0 DFADHM CS[C@@H]1CCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC000826227488 608287801 /nfs/dbraw/zinc/28/78/01/608287801.db2.gz RPJLGYQIPVXYNE-GHMZBOCLSA-N -1 3 304.423 2.656 20 0 DFADHM Cc1cccc(O[C@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC000826299973 608291411 /nfs/dbraw/zinc/29/14/11/608291411.db2.gz CKDGXMQYZFHTMK-CYBMUJFWSA-N -1 3 324.388 2.758 20 0 DFADHM Cc1cccc(O[C@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC000826299973 608291412 /nfs/dbraw/zinc/29/14/12/608291412.db2.gz CKDGXMQYZFHTMK-CYBMUJFWSA-N -1 3 324.388 2.758 20 0 DFADHM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC[C@@H]1C ZINC000824962081 608303077 /nfs/dbraw/zinc/30/30/77/608303077.db2.gz NWKBUAIGNYBWRN-RYUDHWBXSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC[C@@H]1C ZINC000824962081 608303078 /nfs/dbraw/zinc/30/30/78/608303078.db2.gz NWKBUAIGNYBWRN-RYUDHWBXSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(F)c1F ZINC000824650328 608304409 /nfs/dbraw/zinc/30/44/09/608304409.db2.gz QUFSKFKEBWYDAT-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(F)c1F ZINC000824650328 608304411 /nfs/dbraw/zinc/30/44/11/608304411.db2.gz QUFSKFKEBWYDAT-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(F)c1F ZINC000824611822 608308671 /nfs/dbraw/zinc/30/86/71/608308671.db2.gz FRGIVEGDEYTBKX-MRVPVSSYSA-N -1 3 305.288 2.589 20 0 DFADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1cccc(F)c1F ZINC000824611822 608308674 /nfs/dbraw/zinc/30/86/74/608308674.db2.gz FRGIVEGDEYTBKX-MRVPVSSYSA-N -1 3 305.288 2.589 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(F)c(C)c1 ZINC000826170681 608320815 /nfs/dbraw/zinc/32/08/15/608320815.db2.gz KXHBEOFOBPSDOY-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(F)c(C)c1 ZINC000826170681 608320817 /nfs/dbraw/zinc/32/08/17/608320817.db2.gz KXHBEOFOBPSDOY-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSC[C@H]1CCCOC1 ZINC000826173688 608322766 /nfs/dbraw/zinc/32/27/66/608322766.db2.gz PRXIOYPJAMRJSR-NSHDSACASA-N -1 3 320.418 2.535 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSC[C@H]1CCCOC1 ZINC000826173688 608322768 /nfs/dbraw/zinc/32/27/68/608322768.db2.gz PRXIOYPJAMRJSR-NSHDSACASA-N -1 3 320.418 2.535 20 0 DFADHM CS[C@H](C)CCC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826226047 608333600 /nfs/dbraw/zinc/33/36/00/608333600.db2.gz QYEONJJQBBPCGJ-LLVKDONJSA-N -1 3 320.418 2.750 20 0 DFADHM CS[C@H](C)CCC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826226047 608333602 /nfs/dbraw/zinc/33/36/02/608333602.db2.gz QYEONJJQBBPCGJ-LLVKDONJSA-N -1 3 320.418 2.750 20 0 DFADHM Cc1scc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1C ZINC000826350322 608342984 /nfs/dbraw/zinc/34/29/84/608342984.db2.gz QPTBGYUFZXNNOS-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM Cc1scc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1C ZINC000826350322 608342986 /nfs/dbraw/zinc/34/29/86/608342986.db2.gz QPTBGYUFZXNNOS-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM Cc1scc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826350164 608343353 /nfs/dbraw/zinc/34/33/53/608343353.db2.gz KTIPPWVLFYQAFR-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM Cc1scc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826350164 608343355 /nfs/dbraw/zinc/34/33/55/608343355.db2.gz KTIPPWVLFYQAFR-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)/C=C\C(C)(C)C ZINC000826171586 608350795 /nfs/dbraw/zinc/35/07/95/608350795.db2.gz ROVVADCPSUUWQD-FPLPWBNLSA-N -1 3 316.361 2.521 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)/C=C\C(C)(C)C ZINC000826171586 608350796 /nfs/dbraw/zinc/35/07/96/608350796.db2.gz ROVVADCPSUUWQD-FPLPWBNLSA-N -1 3 316.361 2.521 20 0 DFADHM CC(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)Nc1ccccc1 ZINC000824192207 608363430 /nfs/dbraw/zinc/36/34/30/608363430.db2.gz IJHJBGCEQQRCIJ-MRXNPFEDSA-N -1 3 323.404 2.810 20 0 DFADHM CC(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)Nc1ccccc1 ZINC000824192207 608363431 /nfs/dbraw/zinc/36/34/31/608363431.db2.gz IJHJBGCEQQRCIJ-MRXNPFEDSA-N -1 3 323.404 2.810 20 0 DFADHM Cc1nc(CCSc2ccccc2-c2nnn[n-]2)cs1 ZINC000826325984 608398770 /nfs/dbraw/zinc/39/87/70/608398770.db2.gz UFOBTDUCXGMOLG-UHFFFAOYSA-N -1 3 303.416 2.966 20 0 DFADHM Cc1nc(CCSc2ccccc2-c2nn[n-]n2)cs1 ZINC000826325984 608398772 /nfs/dbraw/zinc/39/87/72/608398772.db2.gz UFOBTDUCXGMOLG-UHFFFAOYSA-N -1 3 303.416 2.966 20 0 DFADHM Cc1noc([C@H](C)SCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000826338302 608404646 /nfs/dbraw/zinc/40/46/46/608404646.db2.gz QMWIJZVKQSNDFU-ZETCQYMHSA-N -1 3 320.353 2.692 20 0 DFADHM Cc1noc([C@H](C)SCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826338302 608404648 /nfs/dbraw/zinc/40/46/48/608404648.db2.gz QMWIJZVKQSNDFU-ZETCQYMHSA-N -1 3 320.353 2.692 20 0 DFADHM COC1(C)CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000826143783 608412025 /nfs/dbraw/zinc/41/20/25/608412025.db2.gz PFWHPJAJIZCDGE-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM COC1(C)CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000826143783 608412026 /nfs/dbraw/zinc/41/20/26/608412026.db2.gz PFWHPJAJIZCDGE-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM CC[C@H](CSC)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825127008 608416713 /nfs/dbraw/zinc/41/67/13/608416713.db2.gz KUKNKFHSRZMTQA-GFCCVEGCSA-N -1 3 314.418 2.968 20 0 DFADHM CC[C@H](CSC)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825127008 608416715 /nfs/dbraw/zinc/41/67/15/608416715.db2.gz KUKNKFHSRZMTQA-GFCCVEGCSA-N -1 3 314.418 2.968 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000826145994 608417027 /nfs/dbraw/zinc/41/70/27/608417027.db2.gz OLYWRIKHFAWNGL-IAQYHMDHSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000826145994 608417029 /nfs/dbraw/zinc/41/70/29/608417029.db2.gz OLYWRIKHFAWNGL-IAQYHMDHSA-N -1 3 324.388 2.642 20 0 DFADHM CCOc1ccccc1[C@@H](C)NCc1ccnc(-c2nnn[n-]2)c1 ZINC000825654249 608436266 /nfs/dbraw/zinc/43/62/66/608436266.db2.gz UEUCUCPCMSITKW-GFCCVEGCSA-N -1 3 324.388 2.511 20 0 DFADHM CC(C)(C)SCCCOC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824124759 608475452 /nfs/dbraw/zinc/47/54/52/608475452.db2.gz ZGXAAHRETXHIHV-UHFFFAOYSA-N -1 3 320.418 2.945 20 0 DFADHM CC(C)(C)SCCCOC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824124759 608475453 /nfs/dbraw/zinc/47/54/53/608475453.db2.gz ZGXAAHRETXHIHV-UHFFFAOYSA-N -1 3 320.418 2.945 20 0 DFADHM CC(C)CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824229370 608482582 /nfs/dbraw/zinc/48/25/82/608482582.db2.gz PNKKEGPBGWZAIS-UHFFFAOYSA-N -1 3 311.389 2.529 20 0 DFADHM CC(C)CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824229370 608482584 /nfs/dbraw/zinc/48/25/84/608482584.db2.gz PNKKEGPBGWZAIS-UHFFFAOYSA-N -1 3 311.389 2.529 20 0 DFADHM CCCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825259758 608486298 /nfs/dbraw/zinc/48/62/98/608486298.db2.gz KUBYTMCBFAUSGE-UHFFFAOYSA-N -1 3 311.389 2.673 20 0 DFADHM CCCCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825259758 608486300 /nfs/dbraw/zinc/48/63/00/608486300.db2.gz KUBYTMCBFAUSGE-UHFFFAOYSA-N -1 3 311.389 2.673 20 0 DFADHM CC1(C)CC[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000824801430 608527670 /nfs/dbraw/zinc/52/76/70/608527670.db2.gz FMDWHTNHVUHKMW-JTQLQIEISA-N -1 3 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C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@@H]1F ZINC000824961428 609318494 /nfs/dbraw/zinc/31/84/94/609318494.db2.gz CNXVTHKUHMTDHF-MFKMUULPSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@@H]1F ZINC000824961428 609318496 /nfs/dbraw/zinc/31/84/96/609318496.db2.gz CNXVTHKUHMTDHF-MFKMUULPSA-N -1 3 312.352 2.599 20 0 DFADHM CCC(CC)[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)CCO1 ZINC000825108282 609322419 /nfs/dbraw/zinc/32/24/19/609322419.db2.gz VBMHXPNCCRMAOZ-TZMCWYRMSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)CCO1 ZINC000825108282 609322421 /nfs/dbraw/zinc/32/24/21/609322421.db2.gz VBMHXPNCCRMAOZ-TZMCWYRMSA-N -1 3 316.409 2.657 20 0 DFADHM CN(C[C@H]1CCCC[C@@H]1O)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000825907894 609325583 /nfs/dbraw/zinc/32/55/83/609325583.db2.gz CVQCLRCSSODQGJ-MFKMUULPSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@H]1CCCC[C@@H]1O)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000825907894 609325585 /nfs/dbraw/zinc/32/55/85/609325585.db2.gz CVQCLRCSSODQGJ-MFKMUULPSA-N -1 3 321.812 2.507 20 0 DFADHM COCCC[C@H](C)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826155668 609325768 /nfs/dbraw/zinc/32/57/68/609325768.db2.gz XWIIQZSQHVZIFC-RYUDHWBXSA-N -1 3 318.377 2.534 20 0 DFADHM COCCC[C@H](C)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826155668 609325769 /nfs/dbraw/zinc/32/57/69/609325769.db2.gz XWIIQZSQHVZIFC-RYUDHWBXSA-N -1 3 318.377 2.534 20 0 DFADHM Cc1cnc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000826318386 609337878 /nfs/dbraw/zinc/33/78/78/609337878.db2.gz HBBOSMKQCMEOFL-VIFPVBQESA-N -1 3 318.381 2.622 20 0 DFADHM Cc1cnc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826318386 609337880 /nfs/dbraw/zinc/33/78/80/609337880.db2.gz HBBOSMKQCMEOFL-VIFPVBQESA-N -1 3 318.381 2.622 20 0 DFADHM Cc1ccsc1COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826316165 609340339 /nfs/dbraw/zinc/34/03/39/609340339.db2.gz FUFOEOXCKOVIIA-UHFFFAOYSA-N -1 3 314.370 2.523 20 0 DFADHM Cc1ccsc1COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826316165 609340340 /nfs/dbraw/zinc/34/03/40/609340340.db2.gz FUFOEOXCKOVIIA-UHFFFAOYSA-N -1 3 314.370 2.523 20 0 DFADHM C[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824469655 609374798 /nfs/dbraw/zinc/37/47/98/609374798.db2.gz BHMKFKVEGMJQBC-RISCZKNCSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824469655 609374800 /nfs/dbraw/zinc/37/48/00/609374800.db2.gz BHMKFKVEGMJQBC-RISCZKNCSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC000824917135 609389801 /nfs/dbraw/zinc/38/98/01/609389801.db2.gz MCUCSJZKHRVJQA-MEBBXXQBSA-N -1 3 318.812 2.932 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC000824917135 609389803 /nfs/dbraw/zinc/38/98/03/609389803.db2.gz MCUCSJZKHRVJQA-MEBBXXQBSA-N -1 3 318.812 2.932 20 0 DFADHM C[C@H]1CC[C@]2(CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC000824917132 609390102 /nfs/dbraw/zinc/39/01/02/609390102.db2.gz MCUCSJZKHRVJQA-BONVTDFDSA-N -1 3 318.812 2.932 20 0 DFADHM C[C@H]1CC[C@]2(CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC000824917132 609390105 /nfs/dbraw/zinc/39/01/05/609390105.db2.gz MCUCSJZKHRVJQA-BONVTDFDSA-N -1 3 318.812 2.932 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC000824917129 609390166 /nfs/dbraw/zinc/39/01/66/609390166.db2.gz MCUCSJZKHRVJQA-BMIGLBTASA-N -1 3 318.812 2.932 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC000824917129 609390168 /nfs/dbraw/zinc/39/01/68/609390168.db2.gz MCUCSJZKHRVJQA-BMIGLBTASA-N -1 3 318.812 2.932 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824795832 609391734 /nfs/dbraw/zinc/39/17/34/609391734.db2.gz GJRGQDQVWCQTEB-ZDUSSCGKSA-N -1 3 300.362 2.736 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824795832 609391737 /nfs/dbraw/zinc/39/17/37/609391737.db2.gz GJRGQDQVWCQTEB-ZDUSSCGKSA-N -1 3 300.362 2.736 20 0 DFADHM CCCCc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825296484 609405522 /nfs/dbraw/zinc/40/55/22/609405522.db2.gz LBBUBCDSIDNZNL-UHFFFAOYSA-N -1 3 310.361 2.790 20 0 DFADHM CCCCc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825296484 609405525 /nfs/dbraw/zinc/40/55/25/609405525.db2.gz LBBUBCDSIDNZNL-UHFFFAOYSA-N -1 3 310.361 2.790 20 0 DFADHM CCc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)nc(C)n1 ZINC000825700818 609436449 /nfs/dbraw/zinc/43/64/49/609436449.db2.gz UJLDZAIGAPKCBW-SNVBAGLBSA-N -1 3 309.377 2.701 20 0 DFADHM OCc1ccc(CSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826510205 609441049 /nfs/dbraw/zinc/44/10/49/609441049.db2.gz CZVBONCJGDHRMU-UHFFFAOYSA-N -1 3 312.398 2.792 20 0 DFADHM OCc1ccc(CSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826510205 609441052 /nfs/dbraw/zinc/44/10/52/609441052.db2.gz CZVBONCJGDHRMU-UHFFFAOYSA-N -1 3 312.398 2.792 20 0 DFADHM c1cc(CNc2cnc3c(c2)CCCC3)cc(-c2nnn[n-]2)c1 ZINC000826516370 609445135 /nfs/dbraw/zinc/44/51/35/609445135.db2.gz ICBOKONSLHDUKP-UHFFFAOYSA-N -1 3 306.373 2.753 20 0 DFADHM c1cc(CNc2cnc3c(c2)CCCC3)cc(-c2nn[n-]n2)c1 ZINC000826516370 609445137 /nfs/dbraw/zinc/44/51/37/609445137.db2.gz ICBOKONSLHDUKP-UHFFFAOYSA-N -1 3 306.373 2.753 20 0 DFADHM CC(C)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824304873 609445637 /nfs/dbraw/zinc/44/56/37/609445637.db2.gz HJVCXCQNFHUTBM-UHFFFAOYSA-N -1 3 303.757 2.526 20 0 DFADHM CC(C)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824304873 609445639 /nfs/dbraw/zinc/44/56/39/609445639.db2.gz HJVCXCQNFHUTBM-UHFFFAOYSA-N -1 3 303.757 2.526 20 0 DFADHM CCOC(=O)[C@@H](CC(C)C)Sc1ccccc1-c1nnn[n-]1 ZINC000825486713 609448306 /nfs/dbraw/zinc/44/83/06/609448306.db2.gz WUALWONZJPVVBP-CYBMUJFWSA-N -1 3 320.418 2.937 20 0 DFADHM CCOC(=O)[C@@H](CC(C)C)Sc1ccccc1-c1nn[n-]n1 ZINC000825486713 609448308 /nfs/dbraw/zinc/44/83/08/609448308.db2.gz WUALWONZJPVVBP-CYBMUJFWSA-N -1 3 320.418 2.937 20 0 DFADHM C[C@@H](CO)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824440851 609452034 /nfs/dbraw/zinc/45/20/34/609452034.db2.gz JXEGEUBXDWBQKL-ZETCQYMHSA-N -1 3 318.324 2.606 20 0 DFADHM C[C@@H](CO)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824440851 609452035 /nfs/dbraw/zinc/45/20/35/609452035.db2.gz JXEGEUBXDWBQKL-ZETCQYMHSA-N -1 3 318.324 2.606 20 0 DFADHM c1ccc2c(c1)CC[C@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826523303 609458908 /nfs/dbraw/zinc/45/89/08/609458908.db2.gz IEFMOLFZTFXLEN-CYBMUJFWSA-N -1 3 317.356 2.614 20 0 DFADHM c1ccc2c(c1)CC[C@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826523303 609458910 /nfs/dbraw/zinc/45/89/10/609458910.db2.gz IEFMOLFZTFXLEN-CYBMUJFWSA-N -1 3 317.356 2.614 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Cl)o1 ZINC000826187092 609482179 /nfs/dbraw/zinc/48/21/79/609482179.db2.gz ZURRGTMAHKKSEG-UHFFFAOYSA-N -1 3 305.725 2.734 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)o1 ZINC000826187092 609482181 /nfs/dbraw/zinc/48/21/81/609482181.db2.gz ZURRGTMAHKKSEG-UHFFFAOYSA-N -1 3 305.725 2.734 20 0 DFADHM CC(C)Oc1ccc(NCc2cccnc2)cc1-c1nnn[n-]1 ZINC000824329113 609490133 /nfs/dbraw/zinc/49/01/33/609490133.db2.gz ISPBZTPAMALBPR-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)Oc1ccc(NCc2cccnc2)cc1-c1nn[n-]n1 ZINC000824329113 609490135 /nfs/dbraw/zinc/49/01/35/609490135.db2.gz ISPBZTPAMALBPR-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCCOC(C)C)s1 ZINC000825694163 609491697 /nfs/dbraw/zinc/49/16/97/609491697.db2.gz MHUKEUOAEMZFRD-UHFFFAOYSA-N -1 3 323.422 2.634 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCCOC(C)C)s1 ZINC000825694163 609491700 /nfs/dbraw/zinc/49/17/00/609491700.db2.gz MHUKEUOAEMZFRD-UHFFFAOYSA-N -1 3 323.422 2.634 20 0 DFADHM CC(C)(C)[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824077952 609496059 /nfs/dbraw/zinc/49/60/59/609496059.db2.gz GEMPYWZBMZMNEU-GFCCVEGCSA-N -1 3 314.393 2.767 20 0 DFADHM CC(C)(C)[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824077952 609496060 /nfs/dbraw/zinc/49/60/60/609496060.db2.gz GEMPYWZBMZMNEU-GFCCVEGCSA-N -1 3 314.393 2.767 20 0 DFADHM CC(C)(C)[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824077953 609496233 /nfs/dbraw/zinc/49/62/33/609496233.db2.gz GEMPYWZBMZMNEU-LBPRGKRZSA-N -1 3 314.393 2.767 20 0 DFADHM CC(C)(C)[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824077953 609496236 /nfs/dbraw/zinc/49/62/36/609496236.db2.gz GEMPYWZBMZMNEU-LBPRGKRZSA-N -1 3 314.393 2.767 20 0 DFADHM C[C@@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccccc1 ZINC000826231667 609510230 /nfs/dbraw/zinc/51/02/30/609510230.db2.gz VCWXOXHZTNCNFO-GFCCVEGCSA-N -1 3 319.368 2.560 20 0 DFADHM C[C@@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccccc1 ZINC000826231667 609510232 /nfs/dbraw/zinc/51/02/32/609510232.db2.gz VCWXOXHZTNCNFO-GFCCVEGCSA-N -1 3 319.368 2.560 20 0 DFADHM Cc1ccnc(N(C)Cc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826309338 609520892 /nfs/dbraw/zinc/52/08/92/609520892.db2.gz LUGHYDDODRNTRR-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Cc1ccnc(N(C)Cc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826309338 609520894 /nfs/dbraw/zinc/52/08/94/609520894.db2.gz LUGHYDDODRNTRR-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Cc1ccnc(N2CCC[C@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826311164 609527427 /nfs/dbraw/zinc/52/74/27/609527427.db2.gz VWYLVQZPCKOOCL-HNNXBMFYSA-N -1 3 320.400 2.782 20 0 DFADHM Cc1ccnc(N2CCC[C@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826311164 609527430 /nfs/dbraw/zinc/52/74/30/609527430.db2.gz VWYLVQZPCKOOCL-HNNXBMFYSA-N -1 3 320.400 2.782 20 0 DFADHM Cc1ccnc(N(C)[C@@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826309637 609529463 /nfs/dbraw/zinc/52/94/63/609529463.db2.gz WLQQGRBWHDZGCP-CQSZACIVSA-N -1 3 306.373 2.694 20 0 DFADHM Cc1ccnc(N(C)[C@@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826309637 609529466 /nfs/dbraw/zinc/52/94/66/609529466.db2.gz WLQQGRBWHDZGCP-CQSZACIVSA-N -1 3 306.373 2.694 20 0 DFADHM Cc1ccnc(NCc2ccc(Cl)s2)c1-c1nnn[n-]1 ZINC000826314341 609531555 /nfs/dbraw/zinc/53/15/55/609531555.db2.gz RUCYYHVKURYGGC-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ccnc(NCc2ccc(Cl)s2)c1-c1nn[n-]n1 ZINC000826314341 609531556 /nfs/dbraw/zinc/53/15/56/609531556.db2.gz RUCYYHVKURYGGC-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1c(Cl)cnc(N(C)CC2CCCC2)c1-c1nnn[n-]1 ZINC000826236941 609541882 /nfs/dbraw/zinc/54/18/82/609541882.db2.gz IFVFHUNLAJLEFU-UHFFFAOYSA-N -1 3 306.801 2.850 20 0 DFADHM Cc1c(Cl)cnc(N(C)CC2CCCC2)c1-c1nn[n-]n1 ZINC000826236941 609541886 /nfs/dbraw/zinc/54/18/86/609541886.db2.gz IFVFHUNLAJLEFU-UHFFFAOYSA-N -1 3 306.801 2.850 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@H](C)CC2)c1-c1nnn[n-]1 ZINC000826237899 609542046 /nfs/dbraw/zinc/54/20/46/609542046.db2.gz PHGSTWBHWMLPPU-VIFPVBQESA-N -1 3 306.801 2.850 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@H](C)CC2)c1-c1nn[n-]n1 ZINC000826237899 609542047 /nfs/dbraw/zinc/54/20/47/609542047.db2.gz PHGSTWBHWMLPPU-VIFPVBQESA-N -1 3 306.801 2.850 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825052739 609551327 /nfs/dbraw/zinc/55/13/27/609551327.db2.gz YGZWVSBKADDYDR-ZJUUUORDSA-N -1 3 305.357 2.651 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825052739 609551330 /nfs/dbraw/zinc/55/13/30/609551330.db2.gz YGZWVSBKADDYDR-ZJUUUORDSA-N -1 3 305.357 2.651 20 0 DFADHM Cc1ccnc(NC[C@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826313536 609552459 /nfs/dbraw/zinc/55/24/59/609552459.db2.gz KNFQKMGFWWJSJS-CYBMUJFWSA-N -1 3 306.373 2.712 20 0 DFADHM Cc1ccnc(NC[C@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826313536 609552462 /nfs/dbraw/zinc/55/24/62/609552462.db2.gz KNFQKMGFWWJSJS-CYBMUJFWSA-N -1 3 306.373 2.712 20 0 DFADHM Cc1ccnc(NCCc2cccc(F)c2F)c1-c1nnn[n-]1 ZINC000826314155 609552581 /nfs/dbraw/zinc/55/25/81/609552581.db2.gz IZEXKKWYBSSJSR-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1ccnc(NCCc2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000826314155 609552583 /nfs/dbraw/zinc/55/25/83/609552583.db2.gz IZEXKKWYBSSJSR-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1ccnc(N2CCCC[C@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000826311280 609555911 /nfs/dbraw/zinc/55/59/11/609555911.db2.gz ZJITYCSLUXLIDG-LBPRGKRZSA-N -1 3 310.361 2.895 20 0 DFADHM Cc1ccnc(N2CCCC[C@H]2c2ccco2)c1-c1nn[n-]n1 ZINC000826311280 609555912 /nfs/dbraw/zinc/55/59/12/609555912.db2.gz ZJITYCSLUXLIDG-LBPRGKRZSA-N -1 3 310.361 2.895 20 0 DFADHM CCCn1cc(Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)cn1 ZINC000825362577 609561432 /nfs/dbraw/zinc/56/14/32/609561432.db2.gz PJHQEEDJYLKCNF-UHFFFAOYSA-N -1 3 318.772 2.574 20 0 DFADHM CCCn1cc(Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)cn1 ZINC000825362577 609561433 /nfs/dbraw/zinc/56/14/33/609561433.db2.gz PJHQEEDJYLKCNF-UHFFFAOYSA-N -1 3 318.772 2.574 20 0 DFADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)[C@@H]1CCCOC1 ZINC000824658627 609561677 /nfs/dbraw/zinc/56/16/77/609561677.db2.gz YWKADWQPJBYOPV-SMDDNHRTSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)[C@@H]1CCCOC1 ZINC000824658627 609561679 /nfs/dbraw/zinc/56/16/79/609561679.db2.gz YWKADWQPJBYOPV-SMDDNHRTSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)[C@H]1CCCOC1 ZINC000824658625 609561857 /nfs/dbraw/zinc/56/18/57/609561857.db2.gz YWKADWQPJBYOPV-FZMZJTMJSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)[C@H]1CCCOC1 ZINC000824658625 609561859 /nfs/dbraw/zinc/56/18/59/609561859.db2.gz YWKADWQPJBYOPV-FZMZJTMJSA-N -1 3 324.388 2.642 20 0 DFADHM CCN(CCc1cccs1)c1nccc(C)c1-c1nnn[n-]1 ZINC000825429163 609567567 /nfs/dbraw/zinc/56/75/67/609567567.db2.gz XTNLAHAYTKALCF-UHFFFAOYSA-N -1 3 314.418 2.701 20 0 DFADHM CCN(CCc1cccs1)c1nccc(C)c1-c1nn[n-]n1 ZINC000825429163 609567570 /nfs/dbraw/zinc/56/75/70/609567570.db2.gz XTNLAHAYTKALCF-UHFFFAOYSA-N -1 3 314.418 2.701 20 0 DFADHM Cc1ccnc(N2CC[C@@H](c3ccccc3)[C@@H]2C)c1-c1nnn[n-]1 ZINC000826310047 609572593 /nfs/dbraw/zinc/57/25/93/609572593.db2.gz JYWNLJIHSROWRB-DZGCQCFKSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccnc(N2CC[C@@H](c3ccccc3)[C@@H]2C)c1-c1nn[n-]n1 ZINC000826310047 609572595 /nfs/dbraw/zinc/57/25/95/609572595.db2.gz JYWNLJIHSROWRB-DZGCQCFKSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccnc(N2CC[C@H](c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826310229 609573792 /nfs/dbraw/zinc/57/37/92/609573792.db2.gz PHHIXTBKOXQHRA-ZDUSSCGKSA-N -1 3 324.363 2.703 20 0 DFADHM Cc1ccnc(N2CC[C@H](c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826310229 609573795 /nfs/dbraw/zinc/57/37/95/609573795.db2.gz PHHIXTBKOXQHRA-ZDUSSCGKSA-N -1 3 324.363 2.703 20 0 DFADHM C(=C\[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1)\c1ccccc1 ZINC000823861486 609578279 /nfs/dbraw/zinc/57/82/79/609578279.db2.gz KFIWGINWTFANGU-YHWKNFMLSA-N -1 3 318.384 2.944 20 0 DFADHM C(=C\[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1)\c1ccccc1 ZINC000823861486 609578281 /nfs/dbraw/zinc/57/82/81/609578281.db2.gz KFIWGINWTFANGU-YHWKNFMLSA-N -1 3 318.384 2.944 20 0 DFADHM Clc1ccc(NCC[C@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC000826352650 609581342 /nfs/dbraw/zinc/58/13/42/609581342.db2.gz JCDYHSPBTWVSCW-LLVKDONJSA-N -1 3 307.785 2.891 20 0 DFADHM Clc1ccc(NCC[C@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC000826352650 609581345 /nfs/dbraw/zinc/58/13/45/609581345.db2.gz JCDYHSPBTWVSCW-LLVKDONJSA-N -1 3 307.785 2.891 20 0 DFADHM CCN(C(=O)c1ncc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390465 609588955 /nfs/dbraw/zinc/58/89/55/609588955.db2.gz FVHISOGGKFNURW-UHFFFAOYSA-N -1 3 322.372 2.545 20 0 DFADHM CCN(C(=O)c1ncc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390465 609588958 /nfs/dbraw/zinc/58/89/58/609588958.db2.gz FVHISOGGKFNURW-UHFFFAOYSA-N -1 3 322.372 2.545 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)C1CC1 ZINC000824052173 609613069 /nfs/dbraw/zinc/61/30/69/609613069.db2.gz LYKPQCCVQUSDEP-MRVPVSSYSA-N -1 3 306.753 2.609 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)C1CC1 ZINC000824052173 609613070 /nfs/dbraw/zinc/61/30/70/609613070.db2.gz LYKPQCCVQUSDEP-MRVPVSSYSA-N -1 3 306.753 2.609 20 0 DFADHM CCC[C@H](C)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825232944 609614402 /nfs/dbraw/zinc/61/44/02/609614402.db2.gz LNZZWCLLCBPDJB-VIFPVBQESA-N -1 3 308.769 3.000 20 0 DFADHM CCC[C@H](C)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825232944 609614404 /nfs/dbraw/zinc/61/44/04/609614404.db2.gz LNZZWCLLCBPDJB-VIFPVBQESA-N -1 3 308.769 3.000 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000825052730 609639335 /nfs/dbraw/zinc/63/93/35/609639335.db2.gz YEERDHINEKJFEK-KTKRTIGZSA-N -1 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CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000181613550 199327303 /nfs/dbraw/zinc/32/73/03/199327303.db2.gz DHFCSSQCCAVBCN-VIFPVBQESA-N -1 3 323.867 2.769 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CC[C@H](COc2ccccc2)C1 ZINC000272790388 210192661 /nfs/dbraw/zinc/19/26/61/210192661.db2.gz HJKBTHALLPZULG-ZDUSSCGKSA-N -1 3 313.353 2.639 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2nnc(C(C)C)s2)c1[O-] ZINC000584781232 398411631 /nfs/dbraw/zinc/41/16/31/398411631.db2.gz MVGZOIWKUFECCX-UHFFFAOYSA-N -1 3 305.359 2.822 20 0 DFADHM C[C@@]1(CO)CCC[C@@H]1NCc1cccc([O-])c1Br ZINC000459422736 299102424 /nfs/dbraw/zinc/10/24/24/299102424.db2.gz NYYYBLPXWSPQQT-JSGCOSHPSA-N -1 3 314.223 2.795 20 0 DFADHM Cc1csc(=O)n1CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145366 398419877 /nfs/dbraw/zinc/41/98/77/398419877.db2.gz KVNPLSVQIRLFQO-UHFFFAOYSA-N -1 3 312.778 2.606 20 0 DFADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cn2ccsc2n1 ZINC000252682725 398420289 /nfs/dbraw/zinc/42/02/89/398420289.db2.gz COUAFLGRIUZROC-RTXFEEFZSA-N -1 3 305.403 2.614 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCc2c(C)nn(CC)c2C)c1 ZINC000067178564 398421487 /nfs/dbraw/zinc/42/14/87/398421487.db2.gz WCWNBGZABPUXTM-UHFFFAOYSA-N -1 3 301.390 2.718 20 0 DFADHM Cc1nc2ccccc2n1CCNC(=O)c1ccc(C)cc1[O-] ZINC000024476759 398431613 /nfs/dbraw/zinc/43/16/13/398431613.db2.gz RYQVNMSDIOZFLE-UHFFFAOYSA-N -1 3 309.369 2.789 20 0 DFADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]Cc1ccoc1 ZINC000585790381 398447754 /nfs/dbraw/zinc/44/77/54/398447754.db2.gz QCCHYRIBTWTCII-UHFFFAOYSA-N -1 3 318.354 2.554 20 0 DFADHM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000089367229 398449914 /nfs/dbraw/zinc/44/99/14/398449914.db2.gz ZUFPZPAJHMMKOF-CYBMUJFWSA-N -1 3 319.401 2.752 20 0 DFADHM Cc1nnc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])o1 ZINC000586752248 398452332 /nfs/dbraw/zinc/45/23/32/398452332.db2.gz LVHPMMTTZCQERL-UHFFFAOYSA-N -1 3 323.352 2.604 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)[n-]1 ZINC000586811834 398464293 /nfs/dbraw/zinc/46/42/93/398464293.db2.gz 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LXHJLYXTNDUBSV-YGRLFVJLSA-N -1 3 319.307 2.965 20 0 DFADHM COc1cccc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)c1[O-] ZINC000116093546 426179244 /nfs/dbraw/zinc/17/92/44/426179244.db2.gz SQLHUAOCRCONFO-MFKMUULPSA-N -1 3 319.307 2.965 20 0 DFADHM Cc1ccc(CCNC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000116206950 426182383 /nfs/dbraw/zinc/18/23/83/426182383.db2.gz NZSTXIRPQUUAFF-UHFFFAOYSA-N -1 3 306.365 2.809 20 0 DFADHM CCOCCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000171420749 426189058 /nfs/dbraw/zinc/18/90/58/426189058.db2.gz UXEOXJACFCDGIW-UHFFFAOYSA-N -1 3 309.790 2.574 20 0 DFADHM O=S(=O)([N-]Cc1ccoc1)c1ccc(F)cc1C(F)(F)F ZINC000171422747 426189729 /nfs/dbraw/zinc/18/97/29/426189729.db2.gz GGJLJYXSIHZLRV-UHFFFAOYSA-N -1 3 323.267 2.916 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccsc1 ZINC000135567712 426222176 /nfs/dbraw/zinc/22/21/76/426222176.db2.gz LCFQADJMQGRRQV-SNVBAGLBSA-N -1 3 313.386 2.594 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccsc1 ZINC000135567712 426222178 /nfs/dbraw/zinc/22/21/78/426222178.db2.gz LCFQADJMQGRRQV-SNVBAGLBSA-N -1 3 313.386 2.594 20 0 DFADHM Cc1ccc(CCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000135566519 426222873 /nfs/dbraw/zinc/22/28/73/426222873.db2.gz IFLUHWYQSIRPMQ-UHFFFAOYSA-N -1 3 321.384 2.670 20 0 DFADHM Cc1ccc(CCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000135566519 426222875 /nfs/dbraw/zinc/22/28/75/426222875.db2.gz IFLUHWYQSIRPMQ-UHFFFAOYSA-N -1 3 321.384 2.670 20 0 DFADHM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc2nn[n-]c21 ZINC000119261404 426273839 /nfs/dbraw/zinc/27/38/39/426273839.db2.gz VTIOAGVSOLBZPF-CJNGLKHVSA-N -1 3 322.368 2.608 20 0 DFADHM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc2[n-]nnc21 ZINC000119261404 426273841 /nfs/dbraw/zinc/27/38/41/426273841.db2.gz VTIOAGVSOLBZPF-CJNGLKHVSA-N -1 3 322.368 2.608 20 0 DFADHM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc2n[n-]nc21 ZINC000119261404 426273843 /nfs/dbraw/zinc/27/38/43/426273843.db2.gz VTIOAGVSOLBZPF-CJNGLKHVSA-N -1 3 322.368 2.608 20 0 DFADHM O=C([N-]c1nnc2ccccn21)Nc1cccc(OC(F)F)c1 ZINC000118024722 426227882 /nfs/dbraw/zinc/22/78/82/426227882.db2.gz BNIZZTOFORILFQ-UHFFFAOYSA-N -1 3 319.271 2.975 20 0 DFADHM CCCCOCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000118216190 426229922 /nfs/dbraw/zinc/22/99/22/426229922.db2.gz LDURRPGIDFSYJZ-UHFFFAOYSA-N -1 3 315.373 2.501 20 0 DFADHM COc1cc(CNC(=O)c2ccc(O)cc2[O-])c2ccccc2n1 ZINC000172768788 426230793 /nfs/dbraw/zinc/23/07/93/426230793.db2.gz ZJAQMXPYERCVII-UHFFFAOYSA-N -1 3 324.336 2.585 20 0 DFADHM COc1cccc(CNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000136054197 426234393 /nfs/dbraw/zinc/23/43/93/426234393.db2.gz KFAZKILTRMZNIZ-UHFFFAOYSA-N -1 3 305.761 2.913 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c1[O-] ZINC000084246324 426235694 /nfs/dbraw/zinc/23/56/94/426235694.db2.gz WFZJCPLXNWAVEF-UHFFFAOYSA-N -1 3 316.332 2.794 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N(CCO)Cc1ccccc1 ZINC000136143347 426236083 /nfs/dbraw/zinc/23/60/83/426236083.db2.gz FRZOONHDQUOFMQ-UHFFFAOYSA-N -1 3 319.788 2.609 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCN(C2CCCC2)CC1 ZINC000136138652 426236264 /nfs/dbraw/zinc/23/62/64/426236264.db2.gz VSUCOVRGMMFFGZ-UHFFFAOYSA-N -1 3 322.836 2.675 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(n2ccnc2)CC1 ZINC000136235652 426238429 /nfs/dbraw/zinc/23/84/29/426238429.db2.gz WIBAWZHYZWRNIT-UHFFFAOYSA-N -1 3 319.792 2.648 20 0 DFADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)s1 ZINC000084675039 426243046 /nfs/dbraw/zinc/24/30/46/426243046.db2.gz MSPFNMYRNFIHSZ-UHFFFAOYSA-N -1 3 318.370 2.517 20 0 DFADHM CCc1cc2c(CN[C@H](COC)C3CC3)cc(=O)oc2cc1[O-] ZINC000136646501 426243567 /nfs/dbraw/zinc/24/35/67/426243567.db2.gz MMGWBPGROZQIJS-OAHLLOKOSA-N -1 3 317.385 2.576 20 0 DFADHM Cc1cc(C(=O)[N-]c2nc3ccc(F)cn3n2)c(F)cc1F ZINC000085740162 426253259 /nfs/dbraw/zinc/25/32/59/426253259.db2.gz IWRSOUTUMYFAKN-UHFFFAOYSA-N -1 3 306.247 2.707 20 0 DFADHM Cc1ccc(C)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000085785847 426253927 /nfs/dbraw/zinc/25/39/27/426253927.db2.gz SHLLUQXVIHAPBD-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM CCc1ccc(CC[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000145526962 426258082 /nfs/dbraw/zinc/25/80/82/426258082.db2.gz XFDXBLOPRQVZAD-UHFFFAOYSA-N -1 3 307.390 2.909 20 0 DFADHM COc1ccccc1O[C@@H](C)CNC(=O)c1cccc(C)c1[O-] ZINC000174571262 426260085 /nfs/dbraw/zinc/26/00/85/426260085.db2.gz KXXIZFFECXBUSK-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM CN(CCc1nccs1)C(=O)Cc1ccc([O-])cc1Cl ZINC000119077684 426260792 /nfs/dbraw/zinc/26/07/92/426260792.db2.gz PFYJJJGTVKEDKP-UHFFFAOYSA-N -1 3 310.806 2.746 20 0 DFADHM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cccc2[n-]nnc21 ZINC000119124933 426263422 /nfs/dbraw/zinc/26/34/22/426263422.db2.gz YDGHCHQGLAPIEG-UHFFFAOYSA-N -1 3 320.274 2.647 20 0 DFADHM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cccc2nn[n-]c21 ZINC000119124933 426263425 /nfs/dbraw/zinc/26/34/25/426263425.db2.gz YDGHCHQGLAPIEG-UHFFFAOYSA-N -1 3 320.274 2.647 20 0 DFADHM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cccc2n[n-]nc21 ZINC000119124933 426263427 /nfs/dbraw/zinc/26/34/27/426263427.db2.gz YDGHCHQGLAPIEG-UHFFFAOYSA-N -1 3 320.274 2.647 20 0 DFADHM COC(=O)NCc1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC000117166599 426207401 /nfs/dbraw/zinc/20/74/01/426207401.db2.gz RWDIOUMHWIEMNK-UHFFFAOYSA-N -1 3 314.341 2.809 20 0 DFADHM CS[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000117318207 426211988 /nfs/dbraw/zinc/21/19/88/426211988.db2.gz BZQLGVYMEBYFGC-VXGBXAGGSA-N -1 3 316.426 2.932 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1C(F)(F)F ZINC000171806485 426212493 /nfs/dbraw/zinc/21/24/93/426212493.db2.gz HJLPDJMYCBAIMY-NSHDSACASA-N -1 3 323.336 2.935 20 0 DFADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000117375968 426212634 /nfs/dbraw/zinc/21/26/34/426212634.db2.gz DBFJUVQFRDFGNJ-VHSXEESVSA-N -1 3 320.867 2.688 20 0 DFADHM COc1cccc(C(=O)NC[C@@H](c2cccnc2)C(C)C)c1[O-] ZINC000175258935 426292514 /nfs/dbraw/zinc/29/25/14/426292514.db2.gz PHIYTIOAGOPNDE-OAHLLOKOSA-N -1 3 314.385 2.965 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n[n-]1 ZINC000119524975 426294444 /nfs/dbraw/zinc/29/44/44/426294444.db2.gz IZGVCINXJWSGQX-CHWSQXEVSA-N -1 3 313.405 2.965 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)[n-]n1 ZINC000119524975 426294445 /nfs/dbraw/zinc/29/44/45/426294445.db2.gz IZGVCINXJWSGQX-CHWSQXEVSA-N -1 3 313.405 2.965 20 0 DFADHM CC[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151506027 426299569 /nfs/dbraw/zinc/29/95/69/426299569.db2.gz FSWHKSVFKJFGQM-QMMMGPOBSA-N -1 3 301.184 2.752 20 0 DFADHM O=[S@@](Cc1noc(Cc2ccccc2)n1)c1ccc([O-])cc1 ZINC000119643900 426301452 /nfs/dbraw/zinc/30/14/52/426301452.db2.gz IFTUUECZJQETHJ-JOCHJYFZSA-N -1 3 314.366 2.674 20 0 DFADHM Cc1ccc(C(=O)N2CCN(C)c3cc(F)ccc32)c([O-])c1 ZINC000175396889 426301874 /nfs/dbraw/zinc/30/18/74/426301874.db2.gz MQCUJCLFMOAQDS-UHFFFAOYSA-N -1 3 300.333 2.936 20 0 DFADHM COc1ccc(C(=O)N(C)[C@H]2C[C@](C)(OC)C2(C)C)c([O-])c1 ZINC000175451523 426305968 /nfs/dbraw/zinc/30/59/68/426305968.db2.gz ZRTIUSPGWNPLTD-YOEHRIQHSA-N -1 3 307.390 2.676 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000152346433 426339921 /nfs/dbraw/zinc/33/99/21/426339921.db2.gz OZFNVYYIAUZVBS-JTQLQIEISA-N -1 3 324.229 2.697 20 0 DFADHM CN(C)[C@H](CNC(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC000120269912 426308382 /nfs/dbraw/zinc/30/83/82/426308382.db2.gz RASPGLWMNMLMLM-CQSZACIVSA-N -1 3 320.339 2.703 20 0 DFADHM CC(C)C[C@H]1COCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000151702860 426308687 /nfs/dbraw/zinc/30/86/87/426308687.db2.gz NADGIQNQYMOKJY-ZDUSSCGKSA-N -1 3 311.809 2.862 20 0 DFADHM CCc1noc2ncc(C(=O)[N-]c3nc(SC)ns3)cc12 ZINC000175525718 426311111 /nfs/dbraw/zinc/31/11/11/426311111.db2.gz FBSXJKVFDKFSNX-UHFFFAOYSA-N -1 3 321.387 2.611 20 0 DFADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2cc[nH]c2c1 ZINC000120647529 426313965 /nfs/dbraw/zinc/31/39/65/426313965.db2.gz FQQIAHDJCPGQCH-UHFFFAOYSA-N -1 3 318.340 2.524 20 0 DFADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2cc[nH]c2c1 ZINC000120647529 426313967 /nfs/dbraw/zinc/31/39/67/426313967.db2.gz FQQIAHDJCPGQCH-UHFFFAOYSA-N -1 3 318.340 2.524 20 0 DFADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1coc2ccccc12 ZINC000120771412 426315428 /nfs/dbraw/zinc/31/54/28/426315428.db2.gz IVNZPVKXXWKIIM-UHFFFAOYSA-N -1 3 319.324 2.789 20 0 DFADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000120771412 426315430 /nfs/dbraw/zinc/31/54/30/426315430.db2.gz IVNZPVKXXWKIIM-UHFFFAOYSA-N -1 3 319.324 2.789 20 0 DFADHM COc1ccc(C)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371075 426325967 /nfs/dbraw/zinc/32/59/67/426325967.db2.gz QUCFCELMBJWGFW-UHFFFAOYSA-N -1 3 313.279 2.718 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCCCCn2ccnc2C)c1 ZINC000175816601 426330687 /nfs/dbraw/zinc/33/06/87/426330687.db2.gz JLMUGFKHBWZQJI-UHFFFAOYSA-N -1 3 301.390 2.670 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCS2)c1 ZINC000152284380 426336508 /nfs/dbraw/zinc/33/65/08/426336508.db2.gz ZELNLPHGAGOFLM-JTQLQIEISA-N -1 3 321.851 2.523 20 0 DFADHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000175062347 426277184 /nfs/dbraw/zinc/27/71/84/426277184.db2.gz CFAXIZDKEVRURA-NSHDSACASA-N -1 3 301.390 2.868 20 0 DFADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000175085415 426278015 /nfs/dbraw/zinc/27/80/15/426278015.db2.gz QSDVIFXEKTZUQZ-OLZOCXBDSA-N -1 3 311.337 2.906 20 0 DFADHM CCc1noc(CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)n1 ZINC000119410129 426286596 /nfs/dbraw/zinc/28/65/96/426286596.db2.gz JBBQDNCSHRRCOH-UHFFFAOYSA-N -1 3 317.374 2.585 20 0 DFADHM CC(C)=C(F)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000151268078 426287311 /nfs/dbraw/zinc/28/73/11/426287311.db2.gz ORLQVENDKURXIK-UHFFFAOYSA-N -1 3 320.364 2.833 20 0 DFADHM CC(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000153608610 426394545 /nfs/dbraw/zinc/39/45/45/426394545.db2.gz FNMHZVSJCLLKPR-UHFFFAOYSA-N -1 3 324.808 2.879 20 0 DFADHM CCc1nc([N-]C(=O)c2csc(-c3ccc(C)o3)n2)n[nH]1 ZINC000122890201 426401998 /nfs/dbraw/zinc/40/19/98/426401998.db2.gz RLOYTOFCOMLJOC-UHFFFAOYSA-N -1 3 303.347 2.644 20 0 DFADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c(=O)[n-]1 ZINC000176669253 426403634 /nfs/dbraw/zinc/40/36/34/426403634.db2.gz SHHAWNYKGXSZNK-IAQYHMDHSA-N -1 3 319.449 2.650 20 0 DFADHM C[C@@H](C[N-]C(=O)C(F)(F)C(F)F)N1CCc2sccc2C1 ZINC000175946038 426341537 /nfs/dbraw/zinc/34/15/37/426341537.db2.gz YPFFGRYTIJOPIV-QMMMGPOBSA-N -1 3 324.343 2.511 20 0 DFADHM Cc1cccc(NCCNC(=O)Cc2ccc([O-])cc2Cl)n1 ZINC000152495521 426344010 /nfs/dbraw/zinc/34/40/10/426344010.db2.gz INISCNIHYKLUOW-UHFFFAOYSA-N -1 3 319.792 2.520 20 0 DFADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)CO2 ZINC000152571843 426347181 /nfs/dbraw/zinc/34/71/81/426347181.db2.gz VQOBRWWRUQJYQU-CQSZACIVSA-N -1 3 307.346 2.546 20 0 DFADHM C[C@@H](CNC(=O)c1c([O-])cccc1O)c1ccc(F)cc1F ZINC000092123497 426347973 /nfs/dbraw/zinc/34/79/73/426347973.db2.gz CMGYIEHOILJOHW-VIFPVBQESA-N -1 3 307.296 2.910 20 0 DFADHM CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000176083227 426350630 /nfs/dbraw/zinc/35/06/30/426350630.db2.gz ZKDQNDNXGTTXLH-OSRJUQGESA-N -1 3 309.431 2.510 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(C)C ZINC000121672960 426351211 /nfs/dbraw/zinc/35/12/11/426351211.db2.gz HXWJJGBMYAQWLL-GFCCVEGCSA-N -1 3 323.817 2.737 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)c1[O-] ZINC000152730542 426351288 /nfs/dbraw/zinc/35/12/88/426351288.db2.gz UOQUPVAFMDTVDK-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM COCCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000152760992 426353038 /nfs/dbraw/zinc/35/30/38/426353038.db2.gz YVFMDYHOHXHFGE-UHFFFAOYSA-N -1 3 321.801 2.574 20 0 DFADHM COc1ccc(C(=O)N[C@@H](C)CCc2ccc(O)cc2)c([O-])c1 ZINC000092763012 426353138 /nfs/dbraw/zinc/35/31/38/426353138.db2.gz ZHCBODWRYGRBIV-LBPRGKRZSA-N -1 3 315.369 2.858 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)sc1Br ZINC000122043080 426357168 /nfs/dbraw/zinc/35/71/68/426357168.db2.gz WGEUEGRHBLSGHK-XPUUQOCRSA-N -1 3 324.265 2.753 20 0 DFADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176187543 426358749 /nfs/dbraw/zinc/35/87/49/426358749.db2.gz IKUQAPPAYAEEGU-GZMMTYOYSA-N -1 3 300.152 2.518 20 0 DFADHM CN(C)C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000093907715 426360316 /nfs/dbraw/zinc/36/03/16/426360316.db2.gz YLROCUKWLAQYCC-OAHLLOKOSA-N -1 3 302.349 2.564 20 0 DFADHM CC(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000176289259 426366563 /nfs/dbraw/zinc/36/65/63/426366563.db2.gz SLLKKOZBXNSHOQ-XJKSGUPXSA-N -1 3 324.396 2.782 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)NC1CCCC1 ZINC000153778044 426405841 /nfs/dbraw/zinc/40/58/41/426405841.db2.gz YFIRXADTJHSHHF-UHFFFAOYSA-N -1 3 313.195 2.897 20 0 DFADHM Cc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3C)c([O-])c1 ZINC000122610681 426384824 /nfs/dbraw/zinc/38/48/24/426384824.db2.gz MBHVDNGKMCOOPX-UHFFFAOYSA-N -1 3 310.353 2.862 20 0 DFADHM CC(C)(C)OC(=O)NCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153485981 426388088 /nfs/dbraw/zinc/38/80/88/426388088.db2.gz CPXPEBQFRVKKNJ-UHFFFAOYSA-N -1 3 300.742 2.509 20 0 DFADHM CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153567472 426392606 /nfs/dbraw/zinc/39/26/06/426392606.db2.gz MLPBSEWFIAIMKK-LBPRGKRZSA-N -1 3 310.781 2.775 20 0 DFADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccs2)C[C@H]1OC ZINC000122990367 426408372 /nfs/dbraw/zinc/40/83/72/426408372.db2.gz YTRSECNCRSFVSH-GHMZBOCLSA-N -1 3 303.449 2.620 20 0 DFADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(F)c(F)cc1Cl ZINC000176726571 426408387 /nfs/dbraw/zinc/40/83/87/426408387.db2.gz HBWPNUSZCOBMHS-SSDOTTSWSA-N -1 3 311.737 2.539 20 0 DFADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1nc[nH]n1 ZINC000176734483 426408600 /nfs/dbraw/zinc/40/86/00/426408600.db2.gz WIGYMUMTAQBEMO-LBPRGKRZSA-N -1 3 322.368 2.592 20 0 DFADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)c2)n1 ZINC000176752822 426411416 /nfs/dbraw/zinc/41/14/16/426411416.db2.gz ALKCCRHWOABPKA-HZPDHXFCSA-N -1 3 323.396 2.984 20 0 DFADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000123060967 426411491 /nfs/dbraw/zinc/41/14/91/426411491.db2.gz LGYKQUQLKDNNGY-DZGCQCFKSA-N -1 3 322.430 2.755 20 0 DFADHM CN(CC(C)(C)O)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000176895829 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ZINC000179192389 426766943 /nfs/dbraw/zinc/76/69/43/426766943.db2.gz XPIFLXUBEFTQHP-UHFFFAOYSA-N -1 3 322.777 2.601 20 0 DFADHM Cc1cccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1[O-] ZINC000245756250 426769612 /nfs/dbraw/zinc/76/96/12/426769612.db2.gz YSDNCWCGJMTYGT-FVQBIDKESA-N -1 3 301.386 2.778 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H]1CCC(F)(F)C1 ZINC000281811739 426769935 /nfs/dbraw/zinc/76/99/35/426769935.db2.gz VYFWFYNOUKFOLO-SNVBAGLBSA-N -1 3 302.296 2.766 20 0 DFADHM CCCCCN(C(=O)CNC(=O)c1cccc([O-])c1)C(C)C ZINC000274443045 426770258 /nfs/dbraw/zinc/77/02/58/426770258.db2.gz HTNOFLGLBABPLQ-UHFFFAOYSA-N -1 3 306.406 2.549 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)c1 ZINC000179220004 426770716 /nfs/dbraw/zinc/77/07/16/426770716.db2.gz UATPHKPCRKOPPU-AWEZNQCLSA-N -1 3 323.393 2.569 20 0 DFADHM COCCOc1ccccc1CNCc1cc([O-])cc(F)c1 ZINC000274462417 426773706 /nfs/dbraw/zinc/77/37/06/426773706.db2.gz SYHHXTNSXZBWDU-UHFFFAOYSA-N -1 3 305.349 2.846 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c([O-])c1 ZINC000245850458 426775441 /nfs/dbraw/zinc/77/54/41/426775441.db2.gz JEOZMYDBIDVTLB-WMZOPIPTSA-N -1 3 310.397 2.876 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccco1)c1cc(F)ccc1F ZINC000188717774 426781489 /nfs/dbraw/zinc/78/14/89/426781489.db2.gz FFIQEQFWJHLWNW-GFCCVEGCSA-N -1 3 301.314 2.987 20 0 DFADHM O=C(NCCc1ccccc1OC(F)F)c1ccccc1[O-] ZINC000188711813 426781542 /nfs/dbraw/zinc/78/15/42/426781542.db2.gz MEXUWPDDOVRMAG-UHFFFAOYSA-N -1 3 307.296 2.966 20 0 DFADHM COc1nnc(NC(=O)C2(c3cccs3)CCCCC2)[n-]1 ZINC000179366692 426781701 /nfs/dbraw/zinc/78/17/01/426781701.db2.gz DPYIPCKQLSOXLW-UHFFFAOYSA-N -1 3 306.391 2.715 20 0 DFADHM COc1nc(NC(=O)C2(c3cccs3)CCCCC2)n[n-]1 ZINC000179366692 426781707 /nfs/dbraw/zinc/78/17/07/426781707.db2.gz DPYIPCKQLSOXLW-UHFFFAOYSA-N -1 3 306.391 2.715 20 0 DFADHM COc1n[n-]c(NC(=O)C2(c3cccs3)CCCCC2)n1 ZINC000179366692 426781710 /nfs/dbraw/zinc/78/17/10/426781710.db2.gz DPYIPCKQLSOXLW-UHFFFAOYSA-N -1 3 306.391 2.715 20 0 DFADHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccco1)C1CCCC1 ZINC000188741430 426783188 /nfs/dbraw/zinc/78/31/88/426783188.db2.gz AEFRGWRWJLFGCH-ZDUSSCGKSA-N -1 3 301.408 2.543 20 0 DFADHM O=C(NCCCn1ccc2ccccc21)c1ccc(O)cc1[O-] ZINC000179391480 426785170 /nfs/dbraw/zinc/78/51/70/426785170.db2.gz HZKWCQRCOSNENP-UHFFFAOYSA-N -1 3 310.353 2.873 20 0 DFADHM Cc1ccc(C(=O)N2CCSC3(CCOCC3)C2)c([O-])c1C ZINC000274525855 426786197 /nfs/dbraw/zinc/78/61/97/426786197.db2.gz AGMRGNRRIALUEI-UHFFFAOYSA-N -1 3 321.442 2.747 20 0 DFADHM Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc2n[n-]nc2c1 ZINC000188098409 426722755 /nfs/dbraw/zinc/72/27/55/426722755.db2.gz FFNPFHKDMHBOCY-ZDUSSCGKSA-N -1 3 308.341 2.520 20 0 DFADHM CCc1ccc(C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000188238061 426735004 /nfs/dbraw/zinc/73/50/04/426735004.db2.gz IMMXXQRBGNUQOK-LLVKDONJSA-N -1 3 307.390 2.757 20 0 DFADHM Cc1cc(=O)cc(C)n1CCCC(=O)Nc1cc(F)ccc1[O-] ZINC000290308545 426739699 /nfs/dbraw/zinc/73/96/99/426739699.db2.gz GWCYFGUMSMBIJB-UHFFFAOYSA-N -1 3 318.348 2.729 20 0 DFADHM COC(=O)CN(Cc1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000290322979 426740673 /nfs/dbraw/zinc/74/06/73/426740673.db2.gz BTLZJWURIKJGSQ-UHFFFAOYSA-N -1 3 303.280 2.548 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)NCCc3cccnc3)c[n-]c12 ZINC000188337677 426744884 /nfs/dbraw/zinc/74/48/84/426744884.db2.gz CHOVGPRAFIQPRK-UHFFFAOYSA-N -1 3 307.353 2.616 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)C1(CCF)CC1 ZINC000290414784 426760656 /nfs/dbraw/zinc/76/06/56/426760656.db2.gz FTLMLSSISWBWPT-UHFFFAOYSA-N -1 3 316.170 2.911 20 0 DFADHM C[C@@H]1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)c2c([O-])cccc21 ZINC000274407296 426761622 /nfs/dbraw/zinc/76/16/22/426761622.db2.gz URZOVEFHHVYOKY-NEPJUHHUSA-N -1 3 311.385 2.761 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)/C=C/c2cncc([O-])c2)C12CCCC2 ZINC000179526230 426798941 /nfs/dbraw/zinc/79/89/41/426798941.db2.gz PNGDFVJJJRTULU-DZEZYYDTSA-N -1 3 316.401 2.654 20 0 DFADHM Cc1cccc([O-])c1NC(=O)CCCc1nc(C2CC2)no1 ZINC000179549854 426799253 /nfs/dbraw/zinc/79/92/53/426799253.db2.gz VNNXPNZLSGJZED-UHFFFAOYSA-N -1 3 301.346 2.922 20 0 DFADHM Cc1cccc([O-])c1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000179550413 426799720 /nfs/dbraw/zinc/79/97/20/426799720.db2.gz HGOFYSBAEPFVSF-UHFFFAOYSA-N -1 3 303.362 2.952 20 0 DFADHM COc1ccc2c(c1)OC[C@@H](C(=O)Nc1c(C)cccc1[O-])C2 ZINC000179554115 426800384 /nfs/dbraw/zinc/80/03/84/426800384.db2.gz BZARXLHBMNBUGZ-ZDUSSCGKSA-N -1 3 313.353 2.899 20 0 DFADHM COC(=O)CCCO[N-]C(=O)CCCc1ccccc1Cl ZINC000290619729 426806442 /nfs/dbraw/zinc/80/64/42/426806442.db2.gz LPWZKCKGXFDLOC-UHFFFAOYSA-N -1 3 313.781 2.664 20 0 DFADHM CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179637085 426808549 /nfs/dbraw/zinc/80/85/49/426808549.db2.gz QSQFSCDNYNCRLI-LBPRGKRZSA-N -1 3 310.781 2.631 20 0 DFADHM COc1cc(-c2nc(CCCOC(C)C)no2)cc(OC)c1[O-] ZINC000274939546 426857401 /nfs/dbraw/zinc/85/74/01/426857401.db2.gz AVCXWDQGHQGLHH-UHFFFAOYSA-N -1 3 322.361 2.817 20 0 DFADHM CC1(C)CN(C(=O)c2ccc3n[n-]nc3c2)Cc2ccccc2O1 ZINC000290682019 426817493 /nfs/dbraw/zinc/81/74/93/426817493.db2.gz QLOUAFZGJPYLLS-UHFFFAOYSA-N -1 3 322.368 2.771 20 0 DFADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(-c2csnn2)cc1 ZINC000274734199 426825300 /nfs/dbraw/zinc/82/53/00/426825300.db2.gz CSTKMGXJGIZZOP-ZDUSSCGKSA-N -1 3 320.374 2.785 20 0 DFADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(-c2csnn2)cc1 ZINC000274734199 426825307 /nfs/dbraw/zinc/82/53/07/426825307.db2.gz CSTKMGXJGIZZOP-ZDUSSCGKSA-N -1 3 320.374 2.785 20 0 DFADHM CCc1cnc(C[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)o1 ZINC000274742179 426827615 /nfs/dbraw/zinc/82/76/15/426827615.db2.gz VUCNOXJPCSJLKM-UHFFFAOYSA-N -1 3 322.430 2.949 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)s1 ZINC000179992315 426830841 /nfs/dbraw/zinc/83/08/41/426830841.db2.gz HWJOMZZBIZWGKX-LLVKDONJSA-N -1 3 300.449 2.761 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000282110326 426832291 /nfs/dbraw/zinc/83/22/91/426832291.db2.gz OKVYYRKTCORENO-FVQBIDKESA-N -1 3 303.402 2.856 20 0 DFADHM COc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000282133757 426835599 /nfs/dbraw/zinc/83/55/99/426835599.db2.gz PMILODBCJCXRDF-NUEKZKHPSA-N -1 3 319.401 2.557 20 0 DFADHM O=S(=O)([N-][C@H]1CCCSC1)c1ccc(F)cc1Cl ZINC000267174786 426837071 /nfs/dbraw/zinc/83/70/71/426837071.db2.gz JAXLQGXLESFTKB-VIFPVBQESA-N -1 3 309.815 2.653 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000282150011 426840049 /nfs/dbraw/zinc/84/00/49/426840049.db2.gz QIHVINLDZSNPQR-CFVMTHIKSA-N -1 3 319.401 2.557 20 0 DFADHM Cc1ccc(C2=NO[C@@H](C[N-]C(=O)C(F)(F)C(F)F)C2)cc1 ZINC000282163489 426841609 /nfs/dbraw/zinc/84/16/09/426841609.db2.gz MYZYDZZEGSJANJ-SNVBAGLBSA-N -1 3 318.270 2.505 20 0 DFADHM COc1cccc(C(=O)N2CCC=C(Br)C2)c1[O-] ZINC000282161530 426842713 /nfs/dbraw/zinc/84/27/13/426842713.db2.gz IZKZUYYEKZGQEP-UHFFFAOYSA-N -1 3 312.163 2.526 20 0 DFADHM CCCC[C@@H](C)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000282171152 426844292 /nfs/dbraw/zinc/84/42/92/426844292.db2.gz NWBWZMZXTJWMSR-PIGZYNQJSA-N -1 3 317.389 2.506 20 0 DFADHM COc1cccc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1[O-] ZINC000189379377 426846877 /nfs/dbraw/zinc/84/68/77/426846877.db2.gz SGNRDCBEOXGSHV-UHFFFAOYSA-N -1 3 319.401 2.965 20 0 DFADHM CCC1(C[N-]S(=O)(=O)c2c(C)cccc2F)CCOCC1 ZINC000274845595 426848163 /nfs/dbraw/zinc/84/81/63/426848163.db2.gz GIKFYFVXVRDKCJ-UHFFFAOYSA-N -1 3 315.410 2.619 20 0 DFADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)C1CCSCC1 ZINC000267215892 426848848 /nfs/dbraw/zinc/84/88/48/426848848.db2.gz SVVPDBRKNZIGJA-UHFFFAOYSA-N -1 3 324.356 2.832 20 0 DFADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)C1CCSCC1 ZINC000267215892 426848852 /nfs/dbraw/zinc/84/88/52/426848852.db2.gz SVVPDBRKNZIGJA-UHFFFAOYSA-N -1 3 324.356 2.832 20 0 DFADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)C1CCSCC1 ZINC000267215892 426848857 /nfs/dbraw/zinc/84/88/57/426848857.db2.gz SVVPDBRKNZIGJA-UHFFFAOYSA-N -1 3 324.356 2.832 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000274851202 426850602 /nfs/dbraw/zinc/85/06/02/426850602.db2.gz HSTFPPGXQUBSTD-CQSZACIVSA-N -1 3 321.373 2.806 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000281914840 426791896 /nfs/dbraw/zinc/79/18/96/426791896.db2.gz CKDPCKYOKOVKLF-HZMBPMFUSA-N -1 3 302.353 2.892 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000281914840 426791901 /nfs/dbraw/zinc/79/19/01/426791901.db2.gz CKDPCKYOKOVKLF-HZMBPMFUSA-N -1 3 302.353 2.892 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000281914840 426791906 /nfs/dbraw/zinc/79/19/06/426791906.db2.gz CKDPCKYOKOVKLF-HZMBPMFUSA-N -1 3 302.353 2.892 20 0 DFADHM COc1c(C)cc(CN(C)C(=O)c2ccc(O)cc2[O-])cc1C ZINC000179470481 426793391 /nfs/dbraw/zinc/79/33/91/426793391.db2.gz HCSQSXBOWCBZRA-UHFFFAOYSA-N -1 3 315.369 2.995 20 0 DFADHM CN(C(=O)/C=C/c1cncc([O-])c1)[C@H]1CCc2ccccc2C1 ZINC000179499259 426794587 /nfs/dbraw/zinc/79/45/87/426794587.db2.gz OXHLPHZTQOISIS-NADMHLTPSA-N -1 3 308.381 2.816 20 0 DFADHM CN(C)[C@H](CNC(=O)c1c([O-])cccc1F)c1ccsc1 ZINC000274587954 426796802 /nfs/dbraw/zinc/79/68/02/426796802.db2.gz HARQSHOIHBBTQI-GFCCVEGCSA-N -1 3 308.378 2.626 20 0 DFADHM C[C@H](CNC(=O)/C=C/c1cncc([O-])c1)Oc1ccccc1F ZINC000179522424 426797079 /nfs/dbraw/zinc/79/70/79/426797079.db2.gz DXWJIYXTHYSGHN-NNNHXZLVSA-N -1 3 316.332 2.523 20 0 DFADHM C[C@@H](Oc1ccccc1)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000181101415 426915187 /nfs/dbraw/zinc/91/51/87/426915187.db2.gz ZFPJGXZAJNPBFE-CYBMUJFWSA-N -1 3 308.341 2.673 20 0 DFADHM O=S(=O)([N-][C@@H]1CCSC1)c1ccc(C(F)(F)F)s1 ZINC000291602790 426926469 /nfs/dbraw/zinc/92/64/69/426926469.db2.gz CRQFHMNMSJLGRD-ZCFIWIBFSA-N -1 3 317.379 2.551 20 0 DFADHM CO[C@H](C(=O)[N-]c1nncn1-c1ccccc1)c1ccccc1 ZINC000181119377 426917986 /nfs/dbraw/zinc/91/79/86/426917986.db2.gz OLVQEKQFKCNSCZ-HNNXBMFYSA-N -1 3 308.341 2.594 20 0 DFADHM COCCOc1cccc(/C=C/C(=O)[N-]OC2CCCC2)c1 ZINC000275791155 426919251 /nfs/dbraw/zinc/91/92/51/426919251.db2.gz HMEHRYGWPYHNQT-MDZDMXLPSA-N -1 3 305.374 2.715 20 0 DFADHM CCc1ccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000291580537 426919576 /nfs/dbraw/zinc/91/95/76/426919576.db2.gz OWFHIECNZOJHHU-NSHDSACASA-N -1 3 318.339 2.733 20 0 DFADHM C[C@@H]1CN(Cc2ccccc2Br)CC[C@@H]1C(=O)[O-] ZINC000310704002 426920460 /nfs/dbraw/zinc/92/04/60/426920460.db2.gz BSUUFECVTMAFIZ-PWSUYJOCSA-N -1 3 312.207 2.992 20 0 DFADHM CCc1c([N-]S(=O)(=O)C2CC2)cnn1-c1ccccc1C ZINC000189456875 426860257 /nfs/dbraw/zinc/86/02/57/426860257.db2.gz YJAOGJQOXUUQPK-UHFFFAOYSA-N -1 3 305.403 2.647 20 0 DFADHM C[C@@H](CNC(=O)c1cc([O-])ccc1C(F)(F)F)C[C@H](C)O ZINC000189465087 426860308 /nfs/dbraw/zinc/86/03/08/426860308.db2.gz ZDGFGOKRZRCPKP-BDAKNGLRSA-N -1 3 305.296 2.548 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2ccc([O-])cc2F)c1 ZINC000180465701 426862417 /nfs/dbraw/zinc/86/24/17/426862417.db2.gz NCZLRUOSLLEDCF-NSHDSACASA-N -1 3 316.332 2.597 20 0 DFADHM CC(C)COc1cccc(NC(=O)[N-]OC[C@H]2CCOC2)c1 ZINC000189503627 426873635 /nfs/dbraw/zinc/87/36/35/426873635.db2.gz UQESQPURLHHLCO-ZDUSSCGKSA-N -1 3 308.378 2.811 20 0 DFADHM [O-]c1cccc(CN2CCC(Nc3cccnn3)CC2)c1Cl ZINC000295249703 426879424 /nfs/dbraw/zinc/87/94/24/426879424.db2.gz FWHFCPFUQUUSCN-UHFFFAOYSA-N -1 3 318.808 2.912 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCC(F)(F)C2)n[n-]1 ZINC000282331380 426883553 /nfs/dbraw/zinc/88/35/53/426883553.db2.gz WUZFGXGOLXNNSU-VIFPVBQESA-N -1 3 309.320 2.574 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCC(F)(F)C2)[n-]n1 ZINC000282331380 426883556 /nfs/dbraw/zinc/88/35/56/426883556.db2.gz WUZFGXGOLXNNSU-VIFPVBQESA-N -1 3 309.320 2.574 20 0 DFADHM CCc1ccc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)c([O-])c1 ZINC000291459875 426885871 /nfs/dbraw/zinc/88/58/71/426885871.db2.gz DCLLBYRKHYUFDX-ZDUSSCGKSA-N -1 3 319.792 2.892 20 0 DFADHM CC(C)OCCN1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295272450 426885981 /nfs/dbraw/zinc/88/59/81/426885981.db2.gz HSVZZLQDHKDETR-UHFFFAOYSA-N -1 3 312.841 2.588 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccn1C1CCCC1 ZINC000180874002 426894056 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DFADHM Cc1csc([C@H]2COCCN2Cc2cc([O-])cc(F)c2)n1 ZINC000275745116 426912383 /nfs/dbraw/zinc/91/23/83/426912383.db2.gz VUKZTTVWIONUHL-CQSZACIVSA-N -1 3 308.378 2.870 20 0 DFADHM CC(C)O[C@H](Cn1cc(Cl)c(=O)[n-]c1=O)c1ccccc1 ZINC000291560103 426913410 /nfs/dbraw/zinc/91/34/10/426913410.db2.gz BZGPAPDVYNNHJP-CYBMUJFWSA-N -1 3 308.765 2.769 20 0 DFADHM COc1cc(C(=O)NC[C@@H](C)c2nc(C)cs2)ccc1[O-] ZINC000275919880 426948086 /nfs/dbraw/zinc/94/80/86/426948086.db2.gz AMGZVMPHJTVFMC-SECBINFHSA-N -1 3 306.387 2.699 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)c1F ZINC000181427283 426948934 /nfs/dbraw/zinc/94/89/34/426948934.db2.gz XFYPEEYWCDRLIL-LBPRGKRZSA-N -1 3 315.410 2.759 20 0 DFADHM CC(C)(Cc1nc2ccccc2[nH]1)C(=O)[N-]OC/C=C/Cl ZINC000291695556 426954227 /nfs/dbraw/zinc/95/42/27/426954227.db2.gz BWLIDCPJAGQXKT-VMPITWQZSA-N -1 3 307.781 2.932 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCN(C2CC2)C1 ZINC000295427638 426954711 /nfs/dbraw/zinc/95/47/11/426954711.db2.gz 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O=C(/C=C/c1cncc([O-])c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000181853279 426985557 /nfs/dbraw/zinc/98/55/57/426985557.db2.gz HXFDDUOHWUXGIL-LZCJLJQNSA-N -1 3 322.364 2.822 20 0 DFADHM Cc1ccc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)c([O-])c1 ZINC000268320092 426986193 /nfs/dbraw/zinc/98/61/93/426986193.db2.gz STXXOQWCSCBVQK-HOCLYGCPSA-N -1 3 313.397 2.985 20 0 DFADHM Cc1cccc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)c1[O-] ZINC000268328324 426987581 /nfs/dbraw/zinc/98/75/81/426987581.db2.gz WKZXJDZPOTXRBD-HOCLYGCPSA-N -1 3 313.397 2.985 20 0 DFADHM COc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1[O-] ZINC000276128065 426991942 /nfs/dbraw/zinc/99/19/42/426991942.db2.gz MLQUDEFDJHZAQR-SNVBAGLBSA-N -1 3 303.280 2.815 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)c2nccs2)c1F ZINC000181273590 426930122 /nfs/dbraw/zinc/93/01/22/426930122.db2.gz MHUOHPTVQKTFMV-VIFPVBQESA-N -1 3 300.380 2.630 20 0 DFADHM COC(=O)[C@H]1CC12CCN(Cc1cccc([O-])c1Cl)CC2 ZINC000295378586 426932263 /nfs/dbraw/zinc/93/22/63/426932263.db2.gz 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ZINC000268478190 427027224 /nfs/dbraw/zinc/02/72/24/427027224.db2.gz KFTSWPUXFLRXQY-UHFFFAOYSA-N -1 3 319.415 2.596 20 0 DFADHM COc1cc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)ncn1 ZINC000295970817 427033080 /nfs/dbraw/zinc/03/30/80/427033080.db2.gz QHGWJBIFXFJTPL-UHFFFAOYSA-N -1 3 324.340 2.787 20 0 DFADHM CN(C)C1(CN(C)C(=O)c2cc(F)cc(Cl)c2[O-])CCC1 ZINC000190149355 427033341 /nfs/dbraw/zinc/03/33/41/427033341.db2.gz AEWCZEWTNFKCOJ-UHFFFAOYSA-N -1 3 314.788 2.741 20 0 DFADHM CCN(CC)[C@H](CNC(=O)c1cccc([O-])c1)c1ccco1 ZINC000182242083 427034613 /nfs/dbraw/zinc/03/46/13/427034613.db2.gz PZVUQDTZHZFGLY-OAHLLOKOSA-N -1 3 302.374 2.798 20 0 DFADHM O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1cccc([O-])c1 ZINC000182264935 427041412 /nfs/dbraw/zinc/04/14/12/427041412.db2.gz PRVUWRDDNRCDRR-UHFFFAOYSA-N -1 3 316.332 2.620 20 0 DFADHM CCc1cc(C(=O)N2CCCC[C@@H]2c2ncon2)ccc1[O-] ZINC000291960757 427041586 /nfs/dbraw/zinc/04/15/86/427041586.db2.gz OWKROKKDKTXAKB-CYBMUJFWSA-N -1 3 301.346 2.705 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H]2Cn2ccnc2C)ccc1[O-] ZINC000291974795 427044290 /nfs/dbraw/zinc/04/42/90/427044290.db2.gz QFYIVQNOQLESJW-INIZCTEOSA-N -1 3 313.401 2.764 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccncc2F)c(F)c1 ZINC000337960594 427062705 /nfs/dbraw/zinc/06/27/05/427062705.db2.gz DJQNLMFATYUQSQ-SNVBAGLBSA-N -1 3 312.341 2.708 20 0 DFADHM CCCCc1nc(CS(=O)(=O)c2nc(C)c(C)[n-]2)cs1 ZINC000296027771 427048243 /nfs/dbraw/zinc/04/82/43/427048243.db2.gz VANFSXCNBTVNTK-UHFFFAOYSA-N -1 3 313.448 2.800 20 0 DFADHM CCO[C@H]1C[C@H]1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000296028555 427049963 /nfs/dbraw/zinc/04/99/63/427049963.db2.gz LSKYXXAMTDOVAJ-KCJUWKMLSA-N -1 3 314.179 2.827 20 0 DFADHM CCCC[C@H](CC)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291997745 427050010 /nfs/dbraw/zinc/05/00/10/427050010.db2.gz LUXUKLVXMBBVSY-NSHDSACASA-N -1 3 319.405 2.738 20 0 DFADHM CCc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c([O-])c1 ZINC000276383930 427050885 /nfs/dbraw/zinc/05/08/85/427050885.db2.gz 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323.462 2.813 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)(C)C)cn1C ZINC000339757222 427822906 /nfs/dbraw/zinc/82/29/06/427822906.db2.gz DGHVSOUYNIBRBR-STQMWFEESA-N -1 3 313.467 2.612 20 0 DFADHM Oc1[n-]c(SCc2cnc3ccccc3c2)nc2nncc1-2 ZINC000337276765 427829121 /nfs/dbraw/zinc/82/91/21/427829121.db2.gz RCWCIAMSOVHOTN-UHFFFAOYSA-N -1 3 309.354 2.899 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccc(C)c(OC(F)F)c2)c[n-]1 ZINC000340379351 427833494 /nfs/dbraw/zinc/83/34/94/427833494.db2.gz YEBROLGAPZGIQE-UHFFFAOYSA-N -1 3 324.283 2.963 20 0 DFADHM O=S(=O)(Cc1ccccc1F)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000340375252 427833515 /nfs/dbraw/zinc/83/35/15/427833515.db2.gz VEOPAMSZVWEZQM-UHFFFAOYSA-N -1 3 323.271 2.510 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 ZINC000337305585 427834027 /nfs/dbraw/zinc/83/40/27/427834027.db2.gz SUSTVPVGYUPXSF-BYNSBNAKSA-N -1 3 305.422 2.567 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cccc2cnccc21)C(F)(F)F ZINC000345633727 427837347 /nfs/dbraw/zinc/83/73/47/427837347.db2.gz SPCXSXRQXAKFBK-LBPRGKRZSA-N -1 3 318.320 2.854 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](C)c3ccccn3)ccc2[n-]1 ZINC000345650457 427844115 /nfs/dbraw/zinc/84/41/15/427844115.db2.gz WMZFUEMKKNJZIG-LLVKDONJSA-N -1 3 310.357 2.848 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](C)c3ccccn3)cc2[n-]1 ZINC000345650457 427844119 /nfs/dbraw/zinc/84/41/19/427844119.db2.gz WMZFUEMKKNJZIG-LLVKDONJSA-N -1 3 310.357 2.848 20 0 DFADHM Cc1cc(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2OC(F)F)c1 ZINC000337348435 427857128 /nfs/dbraw/zinc/85/71/28/427857128.db2.gz ZARDEEDAVAUTON-NWDGAFQWSA-N -1 3 323.336 2.573 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ncccc2[O-])CCO1 ZINC000349802750 427867293 /nfs/dbraw/zinc/86/72/93/427867293.db2.gz ORXBQDHATKMIEN-CJNGLKHVSA-N -1 3 321.421 2.570 20 0 DFADHM CC(C)c1nc([C@@H](C)Nc2nc3nncc-3c(O)[n-]2)cs1 ZINC000302763894 427867548 /nfs/dbraw/zinc/86/75/48/427867548.db2.gz YERUMJSPLOXSKS-SSDOTTSWSA-N -1 3 304.379 2.812 20 0 DFADHM COc1ccc2c(c1)nc(CNCc1cc([O-])cc(F)c1)n2C ZINC000349822079 427874326 /nfs/dbraw/zinc/87/43/26/427874326.db2.gz OBGHWYSJPXXELX-UHFFFAOYSA-N -1 3 315.348 2.716 20 0 DFADHM Cn1c(=O)oc2c1cccc2C(=O)Nc1ccc(Cl)cc1[O-] ZINC000339929296 427876758 /nfs/dbraw/zinc/87/67/58/427876758.db2.gz ASCWHLVJAAJGTK-UHFFFAOYSA-N -1 3 318.716 2.743 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CCc2ccccc2)c(F)cc1F ZINC000345727202 427877805 /nfs/dbraw/zinc/87/78/05/427877805.db2.gz UVAPTBMREUAWHF-UHFFFAOYSA-N -1 3 311.353 2.794 20 0 DFADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)[C@H]1CC1(C)C ZINC000359499126 427877963 /nfs/dbraw/zinc/87/79/63/427877963.db2.gz YZEQYBQIVWKSGY-SNVBAGLBSA-N -1 3 304.781 2.542 20 0 DFADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)[C@@H]1CC1(C)C ZINC000359499123 427878291 /nfs/dbraw/zinc/87/82/91/427878291.db2.gz YZEQYBQIVWKSGY-JTQLQIEISA-N -1 3 304.781 2.542 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)[C@@H]1CCCOC1 ZINC000355760667 427880100 /nfs/dbraw/zinc/88/01/00/427880100.db2.gz OARTXKNQVPAYKF-NXEZZACHSA-N -1 3 321.801 2.573 20 0 DFADHM O=C([N-]c1ncc(Cc2ccccc2)s1)c1cnns1 ZINC000339945923 427882167 /nfs/dbraw/zinc/88/21/67/427882167.db2.gz VALGSVMKTOZWKE-UHFFFAOYSA-N -1 3 302.384 2.838 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(F)cc2nn[n-]c21 ZINC000337394576 427882228 /nfs/dbraw/zinc/88/22/28/427882228.db2.gz IPWHVRRLHQSKIO-CKYFFXLPSA-N -1 3 302.353 2.796 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(F)cc2[n-]nnc21 ZINC000337394576 427882231 /nfs/dbraw/zinc/88/22/31/427882231.db2.gz IPWHVRRLHQSKIO-CKYFFXLPSA-N -1 3 302.353 2.796 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(F)cc2n[n-]nc21 ZINC000337394576 427882236 /nfs/dbraw/zinc/88/22/36/427882236.db2.gz IPWHVRRLHQSKIO-CKYFFXLPSA-N -1 3 302.353 2.796 20 0 DFADHM Cc1cc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)[n-]c(=O)n1 ZINC000340581936 427885216 /nfs/dbraw/zinc/88/52/16/427885216.db2.gz FGKAFGSYONQCQE-SECBINFHSA-N -1 3 307.300 2.602 20 0 DFADHM O=C(Nc1cccc2[nH]cnc21)c1c[n-]nc1-c1ccncc1 ZINC000349896389 427892256 /nfs/dbraw/zinc/89/22/56/427892256.db2.gz QMRIIGBWOUCABA-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(N[C@@H]1CCc2c1cccc2F)c1cc(F)cc2nn[n-]c21 ZINC000337436161 427903305 /nfs/dbraw/zinc/90/33/05/427903305.db2.gz HRVIGEKRWCBISM-CYBMUJFWSA-N -1 3 314.295 2.653 20 0 DFADHM O=C(N[C@@H]1CCc2c1cccc2F)c1cc(F)cc2[n-]nnc21 ZINC000337436161 427903309 /nfs/dbraw/zinc/90/33/09/427903309.db2.gz HRVIGEKRWCBISM-CYBMUJFWSA-N -1 3 314.295 2.653 20 0 DFADHM O=C(N[C@@H]1CCc2c1cccc2F)c1cc(F)cc2n[n-]nc21 ZINC000337436161 427903312 /nfs/dbraw/zinc/90/33/12/427903312.db2.gz HRVIGEKRWCBISM-CYBMUJFWSA-N -1 3 314.295 2.653 20 0 DFADHM COc1cc(O)cc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)c1 ZINC000355808191 427904370 /nfs/dbraw/zinc/90/43/70/427904370.db2.gz CELYHKZZKMIEGD-GFCCVEGCSA-N -1 3 321.398 2.946 20 0 DFADHM O=C(Nc1ccc2c(c1)CCCO2)c1cc(F)cc2[n-]nnc21 ZINC000337443934 427907656 /nfs/dbraw/zinc/90/76/56/427907656.db2.gz FFCSCEWUDLWKQM-UHFFFAOYSA-N -1 3 312.304 2.674 20 0 DFADHM O=C(Nc1ccc2c(c1)CCCO2)c1cc(F)cc2nn[n-]c21 ZINC000337443934 427907659 /nfs/dbraw/zinc/90/76/59/427907659.db2.gz FFCSCEWUDLWKQM-UHFFFAOYSA-N -1 3 312.304 2.674 20 0 DFADHM O=C(Nc1ccc2c(c1)CCCO2)c1cc(F)cc2n[n-]nc21 ZINC000337443934 427907663 /nfs/dbraw/zinc/90/76/63/427907663.db2.gz FFCSCEWUDLWKQM-UHFFFAOYSA-N -1 3 312.304 2.674 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(O)c3)c[n-]c12 ZINC000349963906 427908653 /nfs/dbraw/zinc/90/86/53/427908653.db2.gz PLWFJRONPXSOFP-UHFFFAOYSA-N -1 3 312.300 2.934 20 0 DFADHM Cc1nc([N-]C(=O)c2oc3ccc(Cl)cc3c2C)nn1C ZINC000355820618 427909216 /nfs/dbraw/zinc/90/92/16/427909216.db2.gz POZCUPHEAKQVKL-UHFFFAOYSA-N -1 3 304.737 3.084 20 0 DFADHM O=C(Nc1ccc2scnc2c1)c1cc(F)cc2[n-]nnc21 ZINC000337456465 427914842 /nfs/dbraw/zinc/91/48/42/427914842.db2.gz NCSOUCIKKUKXCC-UHFFFAOYSA-N -1 3 313.317 2.959 20 0 DFADHM O=C(Nc1ccc2scnc2c1)c1cc(F)cc2nn[n-]c21 ZINC000337456465 427914847 /nfs/dbraw/zinc/91/48/47/427914847.db2.gz NCSOUCIKKUKXCC-UHFFFAOYSA-N -1 3 313.317 2.959 20 0 DFADHM O=C(Nc1ccc2scnc2c1)c1cc(F)cc2n[n-]nc21 ZINC000337456465 427914849 /nfs/dbraw/zinc/91/48/49/427914849.db2.gz NCSOUCIKKUKXCC-UHFFFAOYSA-N -1 3 313.317 2.959 20 0 DFADHM O=C(Nc1ccccc1[O-])c1cn(-c2ccccc2Cl)nn1 ZINC000340101198 427926650 /nfs/dbraw/zinc/92/66/50/427926650.db2.gz NWVHRBGQULTBHK-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1csc(=O)[n-]1 ZINC000349988734 427918082 /nfs/dbraw/zinc/91/80/82/427918082.db2.gz CZAPHNWSZUZKFZ-IMTBSYHQSA-N -1 3 312.753 2.927 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2nc(-c3ccco3)cs2)c[n-]1 ZINC000340088297 427922194 /nfs/dbraw/zinc/92/21/94/427922194.db2.gz AJXUIZRDDULSMA-UHFFFAOYSA-N -1 3 317.326 2.770 20 0 DFADHM O=C([O-])[C@@]1(NCc2cc(C(F)(F)F)ccc2F)CCSC1 ZINC000340673973 427922580 /nfs/dbraw/zinc/92/25/80/427922580.db2.gz CXSCNGVCPLXXQV-GFCCVEGCSA-N -1 3 323.311 2.894 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)NCC(=O)c1cccs1 ZINC000345833073 427924402 /nfs/dbraw/zinc/92/44/02/427924402.db2.gz AHVWLPYZANOWSN-UHFFFAOYSA-N -1 3 321.373 2.915 20 0 DFADHM CCC[C@](C)(NCc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000340675239 427924568 /nfs/dbraw/zinc/92/45/68/427924568.db2.gz AORSPXDKXZGRFN-HNNXBMFYSA-N -1 3 309.797 2.960 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(-c2noc(/C=C/C3CCC3)n2)cc1 ZINC000355718396 427859896 /nfs/dbraw/zinc/85/98/96/427859896.db2.gz FSJSZJZFENGLLQ-BJMVGYQFSA-N -1 3 319.386 2.921 20 0 DFADHM C[C@@H]1COCC[C@@H]1c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000350594821 427954408 /nfs/dbraw/zinc/95/44/08/427954408.db2.gz MHZXYMVPNCQHFL-ZJUUUORDSA-N -1 3 300.318 2.860 20 0 DFADHM C[C@@H]1COCC[C@@H]1c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000350594821 427954410 /nfs/dbraw/zinc/95/44/10/427954410.db2.gz MHZXYMVPNCQHFL-ZJUUUORDSA-N -1 3 300.318 2.860 20 0 DFADHM COc1cc(C)c(C(=O)Nc2nc(C)ccc2[O-])cc1OC ZINC000345930440 427956287 /nfs/dbraw/zinc/95/62/87/427956287.db2.gz QCFWSCDKBPTSEP-UHFFFAOYSA-N -1 3 302.330 2.674 20 0 DFADHM C[C@@](O)(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000340237295 427963694 /nfs/dbraw/zinc/96/36/94/427963694.db2.gz RSBPCQVOYRJPLL-MRXNPFEDSA-N -1 3 305.761 2.978 20 0 DFADHM CCC1(O)CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000345970283 427968785 /nfs/dbraw/zinc/96/87/85/427968785.db2.gz GLQXPTVWYUKRNA-UHFFFAOYSA-N -1 3 309.381 2.618 20 0 DFADHM C[C@H](CCCC(F)(F)F)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337590301 427970757 /nfs/dbraw/zinc/97/07/57/427970757.db2.gz HGHATUBTXXEERT-SSDOTTSWSA-N -1 3 318.274 2.948 20 0 DFADHM C[C@H](CCCC(F)(F)F)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337590301 427970761 /nfs/dbraw/zinc/97/07/61/427970761.db2.gz HGHATUBTXXEERT-SSDOTTSWSA-N -1 3 318.274 2.948 20 0 DFADHM C[C@H](CCCC(F)(F)F)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337590301 427970767 /nfs/dbraw/zinc/97/07/67/427970767.db2.gz HGHATUBTXXEERT-SSDOTTSWSA-N -1 3 318.274 2.948 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)ccc1[O-] ZINC000337589295 427971062 /nfs/dbraw/zinc/97/10/62/427971062.db2.gz BQWKQKVENRLLSI-ZYHUDNBSSA-N -1 3 315.316 2.681 20 0 DFADHM FC(F)(F)c1nnc(CNc2cc(Br)ccn2)[n-]1 ZINC000359694154 427975573 /nfs/dbraw/zinc/97/55/73/427975573.db2.gz HOEZQWNFBOHZNY-UHFFFAOYSA-N -1 3 322.088 2.593 20 0 DFADHM FC(F)(F)c1nc(CNc2cc(Br)ccn2)n[n-]1 ZINC000359694154 427975577 /nfs/dbraw/zinc/97/55/77/427975577.db2.gz HOEZQWNFBOHZNY-UHFFFAOYSA-N -1 3 322.088 2.593 20 0 DFADHM FC(F)(F)c1n[n-]c(CNc2cc(Br)ccn2)n1 ZINC000359694154 427975580 /nfs/dbraw/zinc/97/55/80/427975580.db2.gz HOEZQWNFBOHZNY-UHFFFAOYSA-N -1 3 322.088 2.593 20 0 DFADHM CN(Cc1nc(-c2ccc([O-])cc2F)no1)[C@@H]1CCSC1 ZINC000350815976 427976215 /nfs/dbraw/zinc/97/62/15/427976215.db2.gz TZTKOLIWSVWYFF-SECBINFHSA-N -1 3 309.366 2.519 20 0 DFADHM COc1cc(C(=O)N2CCCC[C@H]2C(F)F)cc(OC)c1[O-] ZINC000337605858 427977855 /nfs/dbraw/zinc/97/78/55/427977855.db2.gz VDHUPTJWHBITNV-JTQLQIEISA-N -1 3 315.316 2.669 20 0 DFADHM FC(F)(F)c1nnc(CNc2ncccc2C(F)(F)F)[n-]1 ZINC000359713865 427983103 /nfs/dbraw/zinc/98/31/03/427983103.db2.gz MSQHBSDJONFXDM-UHFFFAOYSA-N -1 3 311.189 2.849 20 0 DFADHM FC(F)(F)c1nc(CNc2ncccc2C(F)(F)F)n[n-]1 ZINC000359713865 427983110 /nfs/dbraw/zinc/98/31/10/427983110.db2.gz MSQHBSDJONFXDM-UHFFFAOYSA-N -1 3 311.189 2.849 20 0 DFADHM FC(F)(F)c1n[n-]c(CNc2ncccc2C(F)(F)F)n1 ZINC000359713865 427983116 /nfs/dbraw/zinc/98/31/16/427983116.db2.gz MSQHBSDJONFXDM-UHFFFAOYSA-N -1 3 311.189 2.849 20 0 DFADHM COc1nc(NC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)n[n-]1 ZINC000355866747 427929476 /nfs/dbraw/zinc/92/94/76/427929476.db2.gz TYEFXJHBOBLHHL-NSHDSACASA-N -1 3 318.377 2.651 20 0 DFADHM COc1nnc(NC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)[n-]1 ZINC000355866747 427929483 /nfs/dbraw/zinc/92/94/83/427929483.db2.gz TYEFXJHBOBLHHL-NSHDSACASA-N -1 3 318.377 2.651 20 0 DFADHM COc1n[n-]c(NC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)n1 ZINC000355866747 427929487 /nfs/dbraw/zinc/92/94/87/427929487.db2.gz TYEFXJHBOBLHHL-NSHDSACASA-N -1 3 318.377 2.651 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCc2ccnc(OC3CCC3)c2)c1 ZINC000340730439 427933382 /nfs/dbraw/zinc/93/33/82/427933382.db2.gz CQJJGCFKUATZQA-UHFFFAOYSA-N -1 3 312.369 2.957 20 0 DFADHM C[C@@H](Cc1cccs1)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337504666 427936705 /nfs/dbraw/zinc/93/67/05/427936705.db2.gz OTWVQRMKAVULSS-QMMMGPOBSA-N -1 3 304.350 2.520 20 0 DFADHM C[C@@H](Cc1cccs1)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337504666 427936707 /nfs/dbraw/zinc/93/67/07/427936707.db2.gz OTWVQRMKAVULSS-QMMMGPOBSA-N -1 3 304.350 2.520 20 0 DFADHM C[C@@H](Cc1cccs1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337504666 427936709 /nfs/dbraw/zinc/93/67/09/427936709.db2.gz OTWVQRMKAVULSS-QMMMGPOBSA-N -1 3 304.350 2.520 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(CCO)Cc1ccccc1 ZINC000304770947 427941819 /nfs/dbraw/zinc/94/18/19/427941819.db2.gz GEPFHAGLZWRXMQ-UHFFFAOYSA-N -1 3 322.364 2.575 20 0 DFADHM CCc1cccc(-c2nc([C@@H]3CCCN(C(C)=O)C3)no2)c1[O-] ZINC000350567025 427945219 /nfs/dbraw/zinc/94/52/19/427945219.db2.gz LEWRFEFKVFEHLA-CYBMUJFWSA-N -1 3 315.373 2.731 20 0 DFADHM COc1cc(-c2nc(-c3cscn3)no2)cc(OC)c1[O-] ZINC000350563985 427946349 /nfs/dbraw/zinc/94/63/49/427946349.db2.gz 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/nfs/dbraw/zinc/88/87/42/428888742.db2.gz ZSKYIOQMSOSXJJ-UHFFFAOYSA-N -1 3 324.471 2.843 20 0 DFADHM O=C(N[C@@H]1CCSc2c(F)cccc21)c1csc(=O)[n-]1 ZINC000348975716 428891091 /nfs/dbraw/zinc/89/10/91/428891091.db2.gz NZVACTLZYYOPEI-SECBINFHSA-N -1 3 310.375 2.955 20 0 DFADHM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000363313558 428903287 /nfs/dbraw/zinc/90/32/87/428903287.db2.gz RQVYFXFYUYSYEK-MPKXVKKWSA-N -1 3 320.364 2.507 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000375670052 428938694 /nfs/dbraw/zinc/93/86/94/428938694.db2.gz YWJHHXIGOPZQGR-ONGXEEELSA-N -1 3 324.427 2.639 20 0 DFADHM Cc1nc([C@H](C)NC(=O)c2c[n-]nc2-c2ccccn2)cs1 ZINC000354254118 428940688 /nfs/dbraw/zinc/94/06/88/428940688.db2.gz JIXXCDSPQPFLLW-VIFPVBQESA-N -1 3 313.386 2.728 20 0 DFADHM Cc1nc([C@H](C)NC(=O)c2cn[n-]c2-c2ccccn2)cs1 ZINC000354254118 428940694 /nfs/dbraw/zinc/94/06/94/428940694.db2.gz JIXXCDSPQPFLLW-VIFPVBQESA-N -1 3 313.386 2.728 20 0 DFADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(n2ccnn2)CC1 ZINC000375684265 428944041 /nfs/dbraw/zinc/94/40/41/428944041.db2.gz YFGWOPPEQCSEJU-UHFFFAOYSA-N -1 3 322.368 2.614 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1COc1ccccc1 ZINC000375710989 428951709 /nfs/dbraw/zinc/95/17/09/428951709.db2.gz KPKCGMZLXSRMGF-NSHDSACASA-N -1 3 304.371 2.532 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)c3cccnc3)ccc2[n-]1 ZINC000345610298 428956591 /nfs/dbraw/zinc/95/65/91/428956591.db2.gz KMSXZCATVVGPRQ-NSHDSACASA-N -1 3 310.357 2.848 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)c3cccnc3)cc2[n-]1 ZINC000345610298 428956594 /nfs/dbraw/zinc/95/65/94/428956594.db2.gz KMSXZCATVVGPRQ-NSHDSACASA-N -1 3 310.357 2.848 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]CC2(C)Cc3ccccc3C2)s1 ZINC000354311595 428963483 /nfs/dbraw/zinc/96/34/83/428963483.db2.gz LZLGYNUTBPLOFB-UHFFFAOYSA-N -1 3 322.455 2.535 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000354318853 428964829 /nfs/dbraw/zinc/96/48/29/428964829.db2.gz MFLMCGRQXIFMFI-HNNXBMFYSA-N -1 3 305.341 2.535 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000354318853 428964836 /nfs/dbraw/zinc/96/48/36/428964836.db2.gz MFLMCGRQXIFMFI-HNNXBMFYSA-N -1 3 305.341 2.535 20 0 DFADHM CCc1cnc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)s1 ZINC000412155671 428966688 /nfs/dbraw/zinc/96/66/88/428966688.db2.gz ZBIVVWHXFNZXMN-UHFFFAOYSA-N -1 3 304.371 2.544 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCCc2cccc(C)n2)cc1[O-] ZINC000412340713 429020775 /nfs/dbraw/zinc/02/07/75/429020775.db2.gz WXFLTWJISZHKHH-UHFFFAOYSA-N -1 3 312.369 2.661 20 0 DFADHM CCCc1ncc(C[N-]S(=O)(=O)Cc2ccccc2C)o1 ZINC000451961799 429027586 /nfs/dbraw/zinc/02/75/86/429027586.db2.gz UGFIADCWKKEGDQ-UHFFFAOYSA-N -1 3 308.403 2.555 20 0 DFADHM CC(C)c1cnc(NC(=O)c2cc(F)cc3[n-]nnc32)s1 ZINC000433378076 429030148 /nfs/dbraw/zinc/03/01/48/429030148.db2.gz YNFDMNCBLAZWKK-UHFFFAOYSA-N -1 3 305.338 2.929 20 0 DFADHM CC(C)c1cnc(NC(=O)c2cc(F)cc3nn[n-]c32)s1 ZINC000433378076 429030154 /nfs/dbraw/zinc/03/01/54/429030154.db2.gz YNFDMNCBLAZWKK-UHFFFAOYSA-N -1 3 305.338 2.929 20 0 DFADHM CC(C)c1cnc(NC(=O)c2cc(F)cc3n[n-]nc32)s1 ZINC000433378076 429030156 /nfs/dbraw/zinc/03/01/56/429030156.db2.gz YNFDMNCBLAZWKK-UHFFFAOYSA-N -1 3 305.338 2.929 20 0 DFADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F)C1CC1 ZINC000451985960 429032517 /nfs/dbraw/zinc/03/25/17/429032517.db2.gz IPRUGNXXMLIZMF-SDBXPKJASA-N -1 3 321.801 2.571 20 0 DFADHM CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000375793293 428974049 /nfs/dbraw/zinc/97/40/49/428974049.db2.gz NGGPGBMUZGDUPG-UONOGXRCSA-N -1 3 308.809 2.744 20 0 DFADHM COCCC1(CNC(=O)c2ccc(C(C)=O)c([O-])c2)CCCC1 ZINC000412183564 428976219 /nfs/dbraw/zinc/97/62/19/428976219.db2.gz IAADUUYZNNMYKO-UHFFFAOYSA-N -1 3 319.401 2.922 20 0 DFADHM CC[C@](C)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)OC ZINC000451794182 428976702 /nfs/dbraw/zinc/97/67/02/428976702.db2.gz GAKLVXBWRHPVIH-GFCCVEGCSA-N -1 3 309.790 2.573 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC000421791533 429033759 /nfs/dbraw/zinc/03/37/59/429033759.db2.gz JBVBXTOLDWZHDA-LOWVWBTDSA-N -1 3 303.358 2.944 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)[C@@H](C)C1CCC1)c2=O ZINC000412230498 428989751 /nfs/dbraw/zinc/98/97/51/428989751.db2.gz OSGMAIIYJMNKNU-NSHDSACASA-N -1 3 314.385 2.797 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)[C@H](C)C1CCC1)c2=O ZINC000412230497 428990796 /nfs/dbraw/zinc/99/07/96/428990796.db2.gz OSGMAIIYJMNKNU-LLVKDONJSA-N -1 3 314.385 2.797 20 0 DFADHM Cc1csc([C@H](NC(=O)NCc2ncccc2[O-])C2CC2)n1 ZINC000349467684 428993104 /nfs/dbraw/zinc/99/31/04/428993104.db2.gz ZHWSPXUWENWWEC-CYBMUJFWSA-N -1 3 318.402 2.503 20 0 DFADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@]3(C)CC3(F)F)cc2)n1 ZINC000421441960 428998309 /nfs/dbraw/zinc/99/83/09/428998309.db2.gz FQGOKKGCLZGWKV-HNNXBMFYSA-N -1 3 319.311 2.729 20 0 DFADHM O=C(c1ccc(Cl)cc1[O-])N1CCCN(CC2CCC2)CC1 ZINC000412309304 429011372 /nfs/dbraw/zinc/01/13/72/429011372.db2.gz KLOPWVIKDPIDJA-UHFFFAOYSA-N -1 3 322.836 2.994 20 0 DFADHM O=C(Nc1ccc(-n2cccn2)nc1)c1cc([O-])ccc1Cl ZINC000433222350 429013635 /nfs/dbraw/zinc/01/36/35/429013635.db2.gz YJHKLVBTTVNBOY-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@H](O)C(C)C ZINC000412717422 429089127 /nfs/dbraw/zinc/08/91/27/429089127.db2.gz LORPTQMTAQPJCL-RHSMWYFYSA-N -1 3 311.397 2.766 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC(F)(c2ccccc2)C1 ZINC000376289747 429089928 /nfs/dbraw/zinc/08/99/28/429089928.db2.gz MCXOJPLQMALBRS-UHFFFAOYSA-N -1 3 322.339 2.849 20 0 DFADHM CCC[C@@H](CNC(=O)c1ccc2[n-]c(OCC)nc2c1)OC ZINC000452298402 429091861 /nfs/dbraw/zinc/09/18/61/429091861.db2.gz MMRITESBGROQDQ-LBPRGKRZSA-N -1 3 305.378 2.507 20 0 DFADHM CCC[C@@H](CNC(=O)c1ccc2nc(OCC)[n-]c2c1)OC ZINC000452298402 429091865 /nfs/dbraw/zinc/09/18/65/429091865.db2.gz MMRITESBGROQDQ-LBPRGKRZSA-N -1 3 305.378 2.507 20 0 DFADHM CC(C)(C)c1ccncc1CNC(=O)c1c([O-])cccc1O ZINC000412571061 429063697 /nfs/dbraw/zinc/06/36/97/429063697.db2.gz OJSNYNIGBFRBIP-UHFFFAOYSA-N -1 3 300.358 2.720 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H]3CS[C@H](C)C3)ccc2[n-]1 ZINC000412623375 429071860 /nfs/dbraw/zinc/07/18/60/429071860.db2.gz XMNVZJPIKWOXFR-MWLCHTKSSA-N -1 3 305.403 2.585 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H]3CS[C@H](C)C3)cc2[n-]1 ZINC000412623375 429071865 /nfs/dbraw/zinc/07/18/65/429071865.db2.gz XMNVZJPIKWOXFR-MWLCHTKSSA-N -1 3 305.403 2.585 20 0 DFADHM CO[C@H](C)c1cccc([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424058752 429084219 /nfs/dbraw/zinc/08/42/19/429084219.db2.gz AKZUIUPEVBSQFM-GFCCVEGCSA-N -1 3 313.419 2.562 20 0 DFADHM CC[C@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)C(F)F ZINC000452241808 429087704 /nfs/dbraw/zinc/08/77/04/429087704.db2.gz HRIOOYMEXDONJZ-NSHDSACASA-N -1 3 312.291 2.749 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@@H]2C2CCOCC2)ccc1[O-] ZINC000487226895 429143989 /nfs/dbraw/zinc/14/39/89/429143989.db2.gz ROWYCGRHJOQEAE-MRXNPFEDSA-N -1 3 303.402 2.986 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)CC1CCCCC1 ZINC000487371742 429152562 /nfs/dbraw/zinc/15/25/62/429152562.db2.gz 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ZINC000435224046 429127438 /nfs/dbraw/zinc/12/74/38/429127438.db2.gz CJXLHKQOJJSVER-UHFFFAOYSA-N -1 3 324.215 2.913 20 0 DFADHM O=C(c1ccc([O-])cc1)C1CCN(CCOC2CCC2)CC1 ZINC000376527868 429129834 /nfs/dbraw/zinc/12/98/34/429129834.db2.gz LZECUBFYVWGKAM-UHFFFAOYSA-N -1 3 303.402 2.856 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@H]2CCC[C@H](F)C2)n[n-]1 ZINC000424609352 429162549 /nfs/dbraw/zinc/16/25/49/429162549.db2.gz OQGYYDMZWUPHDB-QWRGUYRKSA-N -1 3 318.352 2.947 20 0 DFADHM Cn1nccc1[C@@H](NCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000424629836 429167247 /nfs/dbraw/zinc/16/72/47/429167247.db2.gz YLPDPGHMNBXIBU-OAHLLOKOSA-N -1 3 301.390 2.633 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000376681134 429158351 /nfs/dbraw/zinc/15/83/51/429158351.db2.gz PSUSEPJHTSSJGQ-VIFPVBQESA-N -1 3 324.789 2.796 20 0 DFADHM O=C(C[C@@H]1OCCc2ccsc21)NCc1ccc([O-])c(F)c1 ZINC000364329748 429182960 /nfs/dbraw/zinc/18/29/60/429182960.db2.gz SAWNBZKISPEERN-AWEZNQCLSA-N -1 3 321.373 2.913 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3CCC[C@@H](F)C3)[n-]c21 ZINC000424738354 429183241 /nfs/dbraw/zinc/18/32/41/429183241.db2.gz PDURSLPQHKZQEX-VHSXEESVSA-N -1 3 319.336 2.816 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CCC[C@@H](F)C3)nc21 ZINC000424738354 429183247 /nfs/dbraw/zinc/18/32/47/429183247.db2.gz PDURSLPQHKZQEX-VHSXEESVSA-N -1 3 319.336 2.816 20 0 DFADHM C[S@](=O)c1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000436163439 429184886 /nfs/dbraw/zinc/18/48/86/429184886.db2.gz WDXQXZNGFWXWJX-NRFANRHFSA-N -1 3 323.801 2.964 20 0 DFADHM Cc1cc[nH]c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000436169883 429185221 /nfs/dbraw/zinc/18/52/21/429185221.db2.gz CGLAXXUNWZAIJJ-UHFFFAOYSA-N -1 3 309.163 2.721 20 0 DFADHM CCc1cc(C)c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)o1 ZINC000488658742 429187167 /nfs/dbraw/zinc/18/71/67/429187167.db2.gz PEOXXEBODUNCCH-UHFFFAOYSA-N -1 3 319.308 3.359 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000488907236 429206586 /nfs/dbraw/zinc/20/65/86/429206586.db2.gz HHPBPHBSNWFFEX-MRXNPFEDSA-N -1 3 316.376 2.872 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cc(C3CCCCC3)[nH]n2)c1 ZINC000439341959 429216887 /nfs/dbraw/zinc/21/68/87/429216887.db2.gz MXKOGXQAERAJCD-UHFFFAOYSA-N -1 3 315.373 3.424 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)sc1Cl ZINC000364524787 429218347 /nfs/dbraw/zinc/21/83/47/429218347.db2.gz BTRVMMIXZDSBQS-AEJSXWLSSA-N -1 3 321.851 2.556 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@H](CC(C)C)C(=O)OC)c1 ZINC000439905486 429223680 /nfs/dbraw/zinc/22/36/80/429223680.db2.gz UVMZZMHTLNOBEC-ZDUSSCGKSA-N -1 3 307.390 2.520 20 0 DFADHM Cc1nnc([N-]C(=O)c2ccncc2Oc2ccccc2)s1 ZINC000440430684 429224825 /nfs/dbraw/zinc/22/48/25/429224825.db2.gz NIZWJUQWZXCBRC-UHFFFAOYSA-N -1 3 312.354 3.286 20 0 DFADHM Cc1ccoc1C[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000490334661 429285640 /nfs/dbraw/zinc/28/56/40/429285640.db2.gz HDXRFFHXNVOUSI-UHFFFAOYSA-N -1 3 321.398 2.780 20 0 DFADHM COCC(C)(C)C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000490312784 429286279 /nfs/dbraw/zinc/28/62/79/429286279.db2.gz AADNLTOQNBEQAC-UHFFFAOYSA-N -1 3 323.817 2.738 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)sn2)c([O-])c1 ZINC000444331627 429269708 /nfs/dbraw/zinc/26/97/08/429269708.db2.gz QBBSULKLGSCKLM-UHFFFAOYSA-N -1 3 306.343 2.586 20 0 DFADHM O=c1[n-]nc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)s1 ZINC000364959868 429271839 /nfs/dbraw/zinc/27/18/39/429271839.db2.gz YIKGKDXEUQSEJU-SNVBAGLBSA-N -1 3 316.386 2.765 20 0 DFADHM COc1cc(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc(OC)c1[O-] ZINC000456304071 429272576 /nfs/dbraw/zinc/27/25/76/429272576.db2.gz SNMLBILLWWSJEW-CZUORRHYSA-N -1 3 317.385 2.670 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000495825719 429273912 /nfs/dbraw/zinc/27/39/12/429273912.db2.gz AEHWRGWOGBZRIF-NWDGAFQWSA-N -1 3 302.415 2.774 20 0 DFADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1conc1COC ZINC000425382605 429282520 /nfs/dbraw/zinc/28/25/20/429282520.db2.gz INETWQJYJFBYER-UHFFFAOYSA-N -1 3 324.358 2.620 20 0 DFADHM CCOCCO[N-]C(=O)C12CCC(C(F)(F)F)(CC1)CC2 ZINC000365594344 429347350 /nfs/dbraw/zinc/34/73/50/429347350.db2.gz HTWPZWQHWNDDSS-UHFFFAOYSA-N -1 3 309.328 2.974 20 0 DFADHM CSc1ccc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c([O-])c1 ZINC000365519703 429333226 /nfs/dbraw/zinc/33/32/26/429333226.db2.gz DUVKHTFOQREZRZ-LLVKDONJSA-N -1 3 317.414 2.857 20 0 DFADHM O=S(=O)([N-]CCc1ccc(F)cc1Cl)c1ccco1 ZINC000445741196 429290648 /nfs/dbraw/zinc/29/06/48/429290648.db2.gz JGCPCTUQSDPCCA-UHFFFAOYSA-N -1 3 303.742 2.593 20 0 DFADHM CC[C@H]1CN(CC)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000456368973 429290826 /nfs/dbraw/zinc/29/08/26/429290826.db2.gz FRTYTFZRJKKBRA-HNNXBMFYSA-N -1 3 322.424 2.797 20 0 DFADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)OC ZINC000490550314 429293222 /nfs/dbraw/zinc/29/32/22/429293222.db2.gz PPHBGYLZBOANAI-UHFFFAOYSA-N -1 3 321.389 2.757 20 0 DFADHM Cc1noc(C)c1C(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000448488938 429312506 /nfs/dbraw/zinc/31/25/06/429312506.db2.gz FKTCCHYOCSSHAD-UHFFFAOYSA-N -1 3 301.277 3.338 20 0 DFADHM CCO[N-]C(=O)/C=C\c1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000490948764 429315787 /nfs/dbraw/zinc/31/57/87/429315787.db2.gz OBBJTHCEYASLHF-KHPPLWFESA-N -1 3 313.401 2.938 20 0 DFADHM CC(C)N(Cc1cc([O-])ccc1Br)C1COC1 ZINC000449352640 429395182 /nfs/dbraw/zinc/39/51/82/429395182.db2.gz XEOAMROOLDPSJJ-UHFFFAOYSA-N -1 3 300.196 2.764 20 0 DFADHM CCc1cc(C(=O)NCc2nc(C)n3c2CCCC3)ccc1[O-] ZINC000365885645 429396441 /nfs/dbraw/zinc/39/64/41/429396441.db2.gz QKQJEKBLOASNJZ-UHFFFAOYSA-N -1 3 313.401 2.726 20 0 DFADHM COC[C@@H](NC(=O)c1csc(=O)[n-]1)c1cccc(Cl)c1 ZINC000426509405 429398478 /nfs/dbraw/zinc/39/84/78/429398478.db2.gz SCHCLDWDJRIRLP-SNVBAGLBSA-N -1 3 312.778 2.620 20 0 DFADHM COc1cccc(CNCC[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000426629576 429404854 /nfs/dbraw/zinc/40/48/54/429404854.db2.gz RIBTWLQJDBUGMW-HNNXBMFYSA-N -1 3 314.385 2.513 20 0 DFADHM CCc1cc(C(=O)N2CCCC[C@H]2c2nnc(C)[nH]2)ccc1[O-] ZINC000365966897 429406735 /nfs/dbraw/zinc/40/67/35/429406735.db2.gz ZDIRGSSDPFFZHB-AWEZNQCLSA-N -1 3 314.389 2.749 20 0 DFADHM O=S(=O)([N-]CC[C@@H]1CCOC1)c1ccc2ccccc2c1F ZINC000518088021 429408914 /nfs/dbraw/zinc/40/89/14/429408914.db2.gz PLKBFMANPDGTDH-GFCCVEGCSA-N -1 3 323.389 2.684 20 0 DFADHM O=C([O-])Cc1ccccc1CNCc1cnc(-c2ccccc2)[nH]1 ZINC000426690629 429408916 /nfs/dbraw/zinc/40/89/16/429408916.db2.gz BSFXHGFDSYEEDA-UHFFFAOYSA-N -1 3 321.380 2.994 20 0 DFADHM Cc1nnsc1C(=O)[N-]c1cc(-c2cccc(Cl)c2)on1 ZINC000366015017 429409520 /nfs/dbraw/zinc/40/95/20/429409520.db2.gz ZOUWUPNKAZLCTN-UHFFFAOYSA-N -1 3 320.761 3.407 20 0 DFADHM CCC(CC)c1nnc([N-]C(=O)c2cn(CC3CC3)nn2)s1 ZINC000449257286 429367056 /nfs/dbraw/zinc/36/70/56/429367056.db2.gz LMZFQAYZPUUWGE-UHFFFAOYSA-N -1 3 320.422 2.696 20 0 DFADHM O=C(C=Cc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000491507145 429367415 /nfs/dbraw/zinc/36/74/15/429367415.db2.gz RTHGMSLVOVKWGZ-WTKPLQERSA-N -1 3 309.304 2.658 20 0 DFADHM O=C(C=Cc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000491507145 429367418 /nfs/dbraw/zinc/36/74/18/429367418.db2.gz RTHGMSLVOVKWGZ-WTKPLQERSA-N -1 3 309.304 2.658 20 0 DFADHM C[C@]12CN(C(=O)Cc3ccc([O-])c(F)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000456978097 429372039 /nfs/dbraw/zinc/37/20/39/429372039.db2.gz IJTQKUDIZFPLSO-KHSSZTOVSA-N -1 3 303.377 2.968 20 0 DFADHM CC1(C)CCCN1CCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000457052238 429386891 /nfs/dbraw/zinc/38/68/91/429386891.db2.gz IZBQETNHFAJNNM-UHFFFAOYSA-N -1 3 314.788 2.789 20 0 DFADHM O=C([O-])[C@H](Cc1ccccc1)NCc1ccc(Br)o1 ZINC000426700425 429410712 /nfs/dbraw/zinc/41/07/12/429410712.db2.gz QUTRJQLIMAJVFP-LBPRGKRZSA-N -1 3 324.174 2.828 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2cn(C)c3ccccc23)[n-]1 ZINC000491945961 429439141 /nfs/dbraw/zinc/43/91/41/429439141.db2.gz RYFCYAHXPYCNHQ-FPLPWBNLSA-N -1 3 313.386 2.670 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2cn(C)c3ccccc23)n1 ZINC000491945961 429439147 /nfs/dbraw/zinc/43/91/47/429439147.db2.gz RYFCYAHXPYCNHQ-FPLPWBNLSA-N -1 3 313.386 2.670 20 0 DFADHM CSc1nc(NC(=O)C=Cc2cn(C)c3ccccc23)n[n-]1 ZINC000491945961 429439152 /nfs/dbraw/zinc/43/91/52/429439152.db2.gz RYFCYAHXPYCNHQ-FPLPWBNLSA-N -1 3 313.386 2.670 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2sccc2C)s1 ZINC000427265343 429442700 /nfs/dbraw/zinc/44/27/00/429442700.db2.gz MZLSMBUCXBSTNI-VIFPVBQESA-N -1 3 302.446 2.861 20 0 DFADHM CSc1nnc(NC(=O)Cc2coc3cc(C)ccc23)[n-]1 ZINC000519097416 429446564 /nfs/dbraw/zinc/44/65/64/429446564.db2.gz KGZBGFYFSOTLDS-UHFFFAOYSA-N -1 3 302.359 2.762 20 0 DFADHM CSc1n[n-]c(NC(=O)Cc2coc3cc(C)ccc23)n1 ZINC000519097416 429446567 /nfs/dbraw/zinc/44/65/67/429446567.db2.gz KGZBGFYFSOTLDS-UHFFFAOYSA-N -1 3 302.359 2.762 20 0 DFADHM CSc1nc(NC(=O)Cc2coc3cc(C)ccc23)n[n-]1 ZINC000519097416 429446570 /nfs/dbraw/zinc/44/65/70/429446570.db2.gz KGZBGFYFSOTLDS-UHFFFAOYSA-N -1 3 302.359 2.762 20 0 DFADHM CSCCO[N-]C(=O)/C=C\c1ccccc1OC(F)F ZINC000492014118 429452243 /nfs/dbraw/zinc/45/22/43/429452243.db2.gz ALGXBHYHIUCEEB-SREVYHEPSA-N -1 3 303.330 2.712 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000492020691 429452837 /nfs/dbraw/zinc/45/28/37/429452837.db2.gz RDUVKSRVEDVCMT-ALLUHVBJSA-N -1 3 312.344 2.956 20 0 DFADHM CCc1c(C(=O)Nc2ncccc2[O-])cnn1CCC(C)C ZINC000427709114 429466222 /nfs/dbraw/zinc/46/62/22/429466222.db2.gz GHABOUYHDIIFFM-UHFFFAOYSA-N -1 3 302.378 2.845 20 0 DFADHM CC(C)c1ccccc1OCCNC(=O)Cc1cncc([O-])c1 ZINC000519566186 429467529 /nfs/dbraw/zinc/46/75/29/429467529.db2.gz YUCCXFHCUSAGLB-UHFFFAOYSA-N -1 3 314.385 2.648 20 0 DFADHM O=C([O-])[C@@H](CC1CCCC1)NCc1ccn(-c2ccccc2)n1 ZINC000426741075 429411843 /nfs/dbraw/zinc/41/18/43/429411843.db2.gz JQYQPHUNPGIREO-QGZVFWFLSA-N -1 3 313.401 2.995 20 0 DFADHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CC1(CC(=O)[O-])CC1 ZINC000518200293 429413704 /nfs/dbraw/zinc/41/37/04/429413704.db2.gz IQJSRMAZLZSJKB-QKVFXAPYSA-N -1 3 309.431 2.672 20 0 DFADHM O=C([O-])[C@H](NCc1cccc(OC(F)F)c1)c1ccc(O)cc1 ZINC000426770907 429415944 /nfs/dbraw/zinc/41/59/44/429415944.db2.gz XDDPRPCKGREFGF-CQSZACIVSA-N -1 3 323.295 2.909 20 0 DFADHM COc1cc(C(=O)N[C@H](CO)c2ccc(Cl)cc2)ccc1[O-] ZINC000426809915 429417014 /nfs/dbraw/zinc/41/70/14/429417014.db2.gz GRZCZEIFEUMRAT-CYBMUJFWSA-N -1 3 321.760 2.518 20 0 DFADHM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000518344152 429418041 /nfs/dbraw/zinc/41/80/41/429418041.db2.gz VUQWNNMDLDRKRV-SECBINFHSA-N -1 3 317.382 2.936 20 0 DFADHM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000426793356 429418187 /nfs/dbraw/zinc/41/81/87/429418187.db2.gz QEHMUFXNHAHNED-MRXNPFEDSA-N -1 3 301.342 2.625 20 0 DFADHM O=C([O-])[C@@H](Cc1ccco1)NCc1cc2cc(F)ccc2o1 ZINC000426815278 429419058 /nfs/dbraw/zinc/41/90/58/429419058.db2.gz DWEAGVJUHYJXNQ-CQSZACIVSA-N -1 3 303.289 2.950 20 0 DFADHM CCCSC[C@H](NCc1cc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000426830274 429419379 /nfs/dbraw/zinc/41/93/79/429419379.db2.gz WVCANRLLEXCUTQ-HNNXBMFYSA-N -1 3 319.430 2.763 20 0 DFADHM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1csc(=O)[n-]1 ZINC000366201476 429433552 /nfs/dbraw/zinc/43/35/52/429433552.db2.gz IRJOELPCDPOPBG-SNVBAGLBSA-N -1 3 308.334 2.632 20 0 DFADHM CCc1ccc([C@@H](C)C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc1 ZINC000427141488 429435490 /nfs/dbraw/zinc/43/54/90/429435490.db2.gz CMJHLTJDVAMXGP-SECBINFHSA-N -1 3 301.346 2.501 20 0 DFADHM CCc1cccc(C(=O)N[C@@H](c2ccccc2F)[C@@H](C)O)c1[O-] ZINC000518784126 429435993 /nfs/dbraw/zinc/43/59/93/429435993.db2.gz RGHLOWZZTNQNHJ-BDJLRTHQSA-N -1 3 317.360 2.946 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2Cc3ccc(F)cc3C(=O)O2)c([O-])c1 ZINC000366219664 429436922 /nfs/dbraw/zinc/43/69/22/429436922.db2.gz AGUGBVPOVOLKHD-OAHLLOKOSA-N -1 3 315.300 2.560 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCOc3ccc(F)cc3C2)c1 ZINC000428454480 429525400 /nfs/dbraw/zinc/52/54/00/429525400.db2.gz BDSORBPDZNFAGV-UHFFFAOYSA-N -1 3 317.316 2.575 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@H](C)C2CCC2)n[n-]1 ZINC000457483237 429473363 /nfs/dbraw/zinc/47/33/63/429473363.db2.gz MADOOFXFLUVVBZ-SNVBAGLBSA-N -1 3 300.362 2.855 20 0 DFADHM CCN1C[C@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H](C)C1 ZINC000519706502 429481958 /nfs/dbraw/zinc/48/19/58/429481958.db2.gz LYBXHAHFPYRDFI-KBPBESRZSA-N -1 3 322.424 2.795 20 0 DFADHM CCc1cc(NC(=O)CNC(=O)c2cccc([O-])c2)ccc1C ZINC000428029203 429484969 /nfs/dbraw/zinc/48/49/69/429484969.db2.gz DPPVKRFUFHQZQM-UHFFFAOYSA-N -1 3 312.369 2.632 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000366687688 429494744 /nfs/dbraw/zinc/49/47/44/429494744.db2.gz MDTXKTCAFRYVCV-MFKMUULPSA-N -1 3 323.356 2.513 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000366687688 429494748 /nfs/dbraw/zinc/49/47/48/429494748.db2.gz MDTXKTCAFRYVCV-MFKMUULPSA-N -1 3 323.356 2.513 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C12CCCC2 ZINC000449990315 429550155 /nfs/dbraw/zinc/55/01/55/429550155.db2.gz RHBIRJNETJVKMN-CVEARBPZSA-N -1 3 321.392 2.928 20 0 DFADHM C[C@H](CN(C)C(=O)/C=C\c1cncc([O-])c1)c1nccs1 ZINC000492500483 429551875 /nfs/dbraw/zinc/55/18/75/429551875.db2.gz IJBXXIZROUCCIV-DLRQAJBASA-N -1 3 303.387 2.519 20 0 DFADHM C[C@H](CCCc1cccnc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000457939084 429552572 /nfs/dbraw/zinc/55/25/72/429552572.db2.gz OUPKFGVUUHCMGW-CYBMUJFWSA-N -1 3 316.376 2.996 20 0 DFADHM CCCCOC1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000450006952 429553519 /nfs/dbraw/zinc/55/35/19/429553519.db2.gz WSKKMFPBAFCONU-UHFFFAOYSA-N -1 3 309.381 2.882 20 0 DFADHM CCN(C)C(=O)/C=C\c1cc(Br)c([O-])c(OC)c1 ZINC000492521596 429555347 /nfs/dbraw/zinc/55/53/47/429555347.db2.gz MXDVWYSFKOXWNX-WAYWQWQTSA-N -1 3 314.179 2.655 20 0 DFADHM COc1ccnc2c(NC(=O)/C=C/c3cncc([O-])c3)cccc12 ZINC000492523160 429557151 /nfs/dbraw/zinc/55/71/51/429557151.db2.gz WCYVLBPITOOGAT-AATRIKPKSA-N -1 3 321.336 2.996 20 0 DFADHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492522851 429557169 /nfs/dbraw/zinc/55/71/69/429557169.db2.gz VJZNPSUFDQWWQG-UDORQPHGSA-N -1 3 324.380 2.651 20 0 DFADHM C[C@@]1(c2ccccc2)CCN(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000492522862 429557877 /nfs/dbraw/zinc/55/78/77/429557877.db2.gz VLCQAUYLYVEYJI-QULHZPMSSA-N -1 3 308.381 2.991 20 0 DFADHM O=C(/C=C\c1cccc(OC2CCCC2)c1)[N-]O[C@@H]1CCOC1 ZINC000492531986 429559006 /nfs/dbraw/zinc/55/90/06/429559006.db2.gz IAMJVJRLTBKSPT-XZVRFQMRSA-N -1 3 317.385 2.858 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000450127843 429570302 /nfs/dbraw/zinc/57/03/02/429570302.db2.gz MZOKPRFFSUJCTP-DZGCQCFKSA-N -1 3 319.376 2.824 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCCc2ccc3c(c2)OCO3)c1 ZINC000522151365 429584313 /nfs/dbraw/zinc/58/43/13/429584313.db2.gz ZVLWSTJVGYHNBF-UHFFFAOYSA-N -1 3 313.353 2.656 20 0 DFADHM CCN(Cc1ncccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000521115042 429538996 /nfs/dbraw/zinc/53/89/96/429538996.db2.gz RRIXIPVUDKLPDQ-QGZVFWFLSA-N -1 3 311.429 2.884 20 0 DFADHM CC(C)n1ncc2cc(NC(=O)/C=C/c3cncc([O-])c3)cnc21 ZINC000492450194 429541425 /nfs/dbraw/zinc/54/14/25/429541425.db2.gz ZKDRHZQMGTYCIE-ONEGZZNKSA-N -1 3 323.356 2.765 20 0 DFADHM CSc1ccc(C(=O)N[C@@H]2CCCc3nn(C)cc32)c([O-])c1 ZINC000367312817 429619573 /nfs/dbraw/zinc/61/95/73/429619573.db2.gz QZTDAIYCSCETIY-CYBMUJFWSA-N -1 3 317.414 2.655 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)[C@H]3CCCCO3)ccc2[n-]1 ZINC000450446501 429626962 /nfs/dbraw/zinc/62/69/62/429626962.db2.gz OFNVWGQKTAFYHO-XHDPSFHLSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)[C@H]3CCCCO3)cc2[n-]1 ZINC000450446501 429626965 /nfs/dbraw/zinc/62/69/65/429626965.db2.gz OFNVWGQKTAFYHO-XHDPSFHLSA-N -1 3 317.389 2.649 20 0 DFADHM CCc1cc(C[N-]S(=O)(=O)c2c(C)cc(C)cc2C)on1 ZINC000524638391 429627667 /nfs/dbraw/zinc/62/76/67/429627667.db2.gz NXHYDJKSCLZKAQ-UHFFFAOYSA-N -1 3 308.403 2.641 20 0 DFADHM COCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(C)o1 ZINC000450471349 429636731 /nfs/dbraw/zinc/63/67/31/429636731.db2.gz JVFQKTHINDAMGP-CQSZACIVSA-N -1 3 321.348 2.869 20 0 DFADHM C[C@@H](O)C[C@@H](C)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450541747 429643331 /nfs/dbraw/zinc/64/33/31/429643331.db2.gz SWQGVFHTNOQHEU-CHWSQXEVSA-N -1 3 301.386 2.754 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCC(CC(F)(F)F)CC1 ZINC000492930580 429648251 /nfs/dbraw/zinc/64/82/51/429648251.db2.gz PQGMIVWBTBNGGT-UPHRSURJSA-N -1 3 314.307 2.991 20 0 DFADHM CN(Cc1c(F)cccc1F)C(=O)/C=C\c1cncc([O-])c1 ZINC000492941704 429649960 /nfs/dbraw/zinc/64/99/60/429649960.db2.gz RHWSJHFQUNCKGF-WAYWQWQTSA-N -1 3 304.296 2.737 20 0 DFADHM O=S(=O)([N-]CC1(c2ccccc2)CCCCC1)c1c[nH]cn1 ZINC000522986802 429599347 /nfs/dbraw/zinc/59/93/47/429599347.db2.gz SIPDMENWIIFULN-UHFFFAOYSA-N -1 3 319.430 2.590 20 0 DFADHM COc1ccc(NC(=O)/C=C/c2cncc([O-])c2)c2ncccc12 ZINC000492731859 429602863 /nfs/dbraw/zinc/60/28/63/429602863.db2.gz FCHOQPPBKPJDSA-QPJJXVBHSA-N -1 3 321.336 2.996 20 0 DFADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000492734071 429604112 /nfs/dbraw/zinc/60/41/12/429604112.db2.gz ILVHZDOXWBIXIO-LWKRHUJOSA-N -1 3 314.307 2.990 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000367265540 429609091 /nfs/dbraw/zinc/60/90/91/429609091.db2.gz XOXHELNUTUYTDJ-AWEZNQCLSA-N -1 3 310.325 2.699 20 0 DFADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)[N-]c1nncn1C ZINC000429465442 429609809 /nfs/dbraw/zinc/60/98/09/429609809.db2.gz GCFFQVIQKCZMTI-CYBMUJFWSA-N -1 3 302.378 2.735 20 0 DFADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)[N-]c1nncn1C ZINC000429465444 429610203 /nfs/dbraw/zinc/61/02/03/429610203.db2.gz GCFFQVIQKCZMTI-ZDUSSCGKSA-N -1 3 302.378 2.735 20 0 DFADHM COc1ccc([O-])c(C(=O)NCCc2ccc(C)c(OC)c2)c1 ZINC000525486089 429661948 /nfs/dbraw/zinc/66/19/48/429661948.db2.gz HUCCPDNQPHSFBT-UHFFFAOYSA-N -1 3 315.369 2.690 20 0 DFADHM CC(C)c1scnc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000365842882 276080006 /nfs/dbraw/zinc/08/00/06/276080006.db2.gz SVYFXAWKIJKIJF-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM CC(C)c1scnc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000365842882 276080007 /nfs/dbraw/zinc/08/00/07/276080007.db2.gz SVYFXAWKIJKIJF-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM COc1cccc(NC(=O)C(=O)c2ccc(Cl)s2)c1[O-] ZINC000430282628 429670828 /nfs/dbraw/zinc/67/08/28/429670828.db2.gz WFJHXZGXTURDAN-UHFFFAOYSA-N -1 3 311.746 2.937 20 0 DFADHM CC(C)O[C@@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1(C)C ZINC000450659221 429673235 /nfs/dbraw/zinc/67/32/35/429673235.db2.gz PSQITTHFJQKARL-LSDHHAIUSA-N -1 3 309.381 2.782 20 0 DFADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)/C=C/c1cncc([O-])c1 ZINC000493053275 429678971 /nfs/dbraw/zinc/67/89/71/429678971.db2.gz CQKNSBRVVXBRDZ-RXUHEVMZSA-N -1 3 314.307 2.990 20 0 DFADHM Cn1cc(NC(=O)c2cccc3nn[n-]c32)c(-c2ccccc2)n1 ZINC000525870461 429681412 /nfs/dbraw/zinc/68/14/12/429681412.db2.gz BRLSUTJGUGCEDM-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1cc(NC(=O)c2cccc3[n-]nnc32)c(-c2ccccc2)n1 ZINC000525870461 429681419 /nfs/dbraw/zinc/68/14/19/429681419.db2.gz BRLSUTJGUGCEDM-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1cc(NC(=O)c2cccc3n[n-]nc32)c(-c2ccccc2)n1 ZINC000525870461 429681426 /nfs/dbraw/zinc/68/14/26/429681426.db2.gz BRLSUTJGUGCEDM-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM O=C(Nc1ccc(OCC(F)F)cc1)c1cccc2nn[n-]c21 ZINC000525865892 429682906 /nfs/dbraw/zinc/68/29/06/429682906.db2.gz SKPSQLOHOQJGKL-UHFFFAOYSA-N -1 3 318.283 2.854 20 0 DFADHM O=C(Nc1ccc(OCC(F)F)cc1)c1cccc2[n-]nnc21 ZINC000525865892 429682910 /nfs/dbraw/zinc/68/29/10/429682910.db2.gz SKPSQLOHOQJGKL-UHFFFAOYSA-N -1 3 318.283 2.854 20 0 DFADHM O=C(Nc1ccc(OCC(F)F)cc1)c1cccc2n[n-]nc21 ZINC000525865892 429682915 /nfs/dbraw/zinc/68/29/15/429682915.db2.gz SKPSQLOHOQJGKL-UHFFFAOYSA-N -1 3 318.283 2.854 20 0 DFADHM CC1(C)Cc2cc(NC(=O)c3cccc4nn[n-]c43)ccc2O1 ZINC000525865732 429683269 /nfs/dbraw/zinc/68/32/69/429683269.db2.gz FTEVDUKURXPNMN-UHFFFAOYSA-N -1 3 308.341 2.924 20 0 DFADHM CC1(C)Cc2cc(NC(=O)c3cccc4[n-]nnc43)ccc2O1 ZINC000525865732 429683273 /nfs/dbraw/zinc/68/32/73/429683273.db2.gz FTEVDUKURXPNMN-UHFFFAOYSA-N -1 3 308.341 2.924 20 0 DFADHM CC1(C)Cc2cc(NC(=O)c3cccc4n[n-]nc43)ccc2O1 ZINC000525865732 429683277 /nfs/dbraw/zinc/68/32/77/429683277.db2.gz FTEVDUKURXPNMN-UHFFFAOYSA-N -1 3 308.341 2.924 20 0 DFADHM CCOC(=O)c1cc(C(=O)[N-]c2cc(F)c(OC)cc2C)on1 ZINC000450729823 429686640 /nfs/dbraw/zinc/68/66/40/429686640.db2.gz UMEFVLIMNJBFSD-UHFFFAOYSA-N -1 3 322.292 2.560 20 0 DFADHM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1csc(=O)[n-]1 ZINC000525928922 429687681 /nfs/dbraw/zinc/68/76/81/429687681.db2.gz JHCMTQGVOBDCBO-CMPLNLGQSA-N -1 3 324.789 2.762 20 0 DFADHM CC1=C(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CCC(C)(C)C1 ZINC000450749358 429691996 /nfs/dbraw/zinc/69/19/96/429691996.db2.gz XXNFIQSFPPNGEX-UHFFFAOYSA-N -1 3 316.327 2.966 20 0 DFADHM CC1=C(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CCC(C)(C)C1 ZINC000450749358 429692002 /nfs/dbraw/zinc/69/20/02/429692002.db2.gz XXNFIQSFPPNGEX-UHFFFAOYSA-N -1 3 316.327 2.966 20 0 DFADHM CC1=C(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCC(C)(C)C1 ZINC000450749358 429692006 /nfs/dbraw/zinc/69/20/06/429692006.db2.gz XXNFIQSFPPNGEX-UHFFFAOYSA-N -1 3 316.327 2.966 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCCc2ccc(F)cc21 ZINC000525995198 429693443 /nfs/dbraw/zinc/69/34/43/429693443.db2.gz JCWUKFSDQAKLGN-CQSZACIVSA-N -1 3 315.348 2.803 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000526123548 429702819 /nfs/dbraw/zinc/70/28/19/429702819.db2.gz LIBSYOWURCZMNB-CQSZACIVSA-N -1 3 324.359 2.944 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000526123548 429702823 /nfs/dbraw/zinc/70/28/23/429702823.db2.gz LIBSYOWURCZMNB-CQSZACIVSA-N -1 3 324.359 2.944 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000526123548 429702826 /nfs/dbraw/zinc/70/28/26/429702826.db2.gz LIBSYOWURCZMNB-CQSZACIVSA-N -1 3 324.359 2.944 20 0 DFADHM CC(C)c1ccccc1NC(=O)[C@H](C)N(C)CCCC(=O)[O-] ZINC000430656327 429707795 /nfs/dbraw/zinc/70/77/95/429707795.db2.gz FHGMRJHKRFDXDM-ZDUSSCGKSA-N -1 3 306.406 2.934 20 0 DFADHM CC(C)(C)OCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000526992202 429713367 /nfs/dbraw/zinc/71/33/67/429713367.db2.gz OYZAFDWMPVQNIN-UHFFFAOYSA-N -1 3 305.296 2.956 20 0 DFADHM COc1ccc(/C=C/C(=O)[N-]OCC(F)(F)F)cc1Cl ZINC000493220370 429714940 /nfs/dbraw/zinc/71/49/40/429714940.db2.gz JSEFCWKNXVTLSN-HWKANZROSA-N -1 3 309.671 2.972 20 0 DFADHM O=C(/C=C\Sc1cc(F)ccc1F)[N-]OC[C@H]1CCOC1 ZINC000493273711 429726157 /nfs/dbraw/zinc/72/61/57/429726157.db2.gz YNFMVTJSJICWCU-OAQKJQOQSA-N -1 3 315.341 2.655 20 0 DFADHM O=C(/C=C\Sc1cc(F)ccc1F)[N-]OC[C@@H]1CCOC1 ZINC000493273710 429726316 /nfs/dbraw/zinc/72/63/16/429726316.db2.gz YNFMVTJSJICWCU-AYYIZTPMSA-N -1 3 315.341 2.655 20 0 DFADHM COc1cccc([C@@H](C)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000450918469 429729051 /nfs/dbraw/zinc/72/90/51/429729051.db2.gz JDDWMUKUPDNPEQ-LLVKDONJSA-N -1 3 303.362 2.724 20 0 DFADHM COc1cccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000430980220 429730969 /nfs/dbraw/zinc/73/09/69/429730969.db2.gz DHVOESGIVGKGKS-UHFFFAOYSA-N -1 3 324.402 2.923 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCOCC12CCCC2 ZINC000367869859 429733248 /nfs/dbraw/zinc/73/32/48/429733248.db2.gz KMSAAXPACGRTOQ-UHFFFAOYSA-N -1 3 309.793 2.760 20 0 DFADHM CSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2F)[n-]1 ZINC000431018553 429735789 /nfs/dbraw/zinc/73/57/89/429735789.db2.gz HOORAPITJMCAFR-UHFFFAOYSA-N -1 3 320.271 2.937 20 0 DFADHM CSc1n[n-]c(NC(=O)c2cccc(C(F)(F)F)c2F)n1 ZINC000431018553 429735790 /nfs/dbraw/zinc/73/57/90/429735790.db2.gz HOORAPITJMCAFR-UHFFFAOYSA-N -1 3 320.271 2.937 20 0 DFADHM CSc1nc(NC(=O)c2cccc(C(F)(F)F)c2F)n[n-]1 ZINC000431018553 429735793 /nfs/dbraw/zinc/73/57/93/429735793.db2.gz HOORAPITJMCAFR-UHFFFAOYSA-N -1 3 320.271 2.937 20 0 DFADHM O=C(NC[C@@H]1SCCc2ccccc21)c1cccc2nn[n-]c21 ZINC000527356627 429746954 /nfs/dbraw/zinc/74/69/54/429746954.db2.gz VEYDHHSDJQAUHJ-HNNXBMFYSA-N -1 3 324.409 2.718 20 0 DFADHM O=C(NC[C@@H]1SCCc2ccccc21)c1cccc2[n-]nnc21 ZINC000527356627 429746957 /nfs/dbraw/zinc/74/69/57/429746957.db2.gz VEYDHHSDJQAUHJ-HNNXBMFYSA-N -1 3 324.409 2.718 20 0 DFADHM O=C(NC[C@@H]1SCCc2ccccc21)c1cccc2n[n-]nc21 ZINC000527356627 429746960 /nfs/dbraw/zinc/74/69/60/429746960.db2.gz VEYDHHSDJQAUHJ-HNNXBMFYSA-N -1 3 324.409 2.718 20 0 DFADHM CCCCO[C@@H]1C[C@@H](NC(=O)c2cccc3nn[n-]c32)C1(C)C ZINC000527356678 429745350 /nfs/dbraw/zinc/74/53/50/429745350.db2.gz IKFCTAXRKSTYTQ-ZIAGYGMSSA-N -1 3 316.405 2.672 20 0 DFADHM CCCCO[C@@H]1C[C@@H](NC(=O)c2cccc3[n-]nnc32)C1(C)C ZINC000527356678 429745354 /nfs/dbraw/zinc/74/53/54/429745354.db2.gz IKFCTAXRKSTYTQ-ZIAGYGMSSA-N -1 3 316.405 2.672 20 0 DFADHM CCCCO[C@@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc32)C1(C)C ZINC000527356678 429745360 /nfs/dbraw/zinc/74/53/60/429745360.db2.gz IKFCTAXRKSTYTQ-ZIAGYGMSSA-N -1 3 316.405 2.672 20 0 DFADHM Cc1cn2ccnc(C(=O)N3CC[C@H](C)c4cccc([O-])c43)c2n1 ZINC000432147957 429804728 /nfs/dbraw/zinc/80/47/28/429804728.db2.gz IXQSPKHXQCAKTD-NSHDSACASA-N -1 3 322.368 2.897 20 0 DFADHM CCc1cc(C(=O)Nc2ccn(-c3ccccc3)n2)ccc1[O-] ZINC000485671700 429748706 /nfs/dbraw/zinc/74/87/06/429748706.db2.gz JPNFSJMLVRZOCQ-UHFFFAOYSA-N -1 3 307.353 3.393 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)C(C)C ZINC000486248547 429749930 /nfs/dbraw/zinc/74/99/30/429749930.db2.gz FRRPIPZYYMXKKZ-JTQLQIEISA-N -1 3 305.827 2.919 20 0 DFADHM O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1ccc(Br)s1 ZINC000486831432 429751282 /nfs/dbraw/zinc/75/12/82/429751282.db2.gz IIILBLRJFYTFAC-MTBHXBHISA-N -1 3 322.249 2.587 20 0 DFADHM Cc1nnccc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000527485932 429752055 /nfs/dbraw/zinc/75/20/55/429752055.db2.gz FEIRXNVJTQJMOG-UHFFFAOYSA-N -1 3 313.235 2.642 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@@H]1[C@H]2CCCO[C@H]21 ZINC000527486173 429752541 /nfs/dbraw/zinc/75/25/41/429752541.db2.gz GANHOBZQBVYGAB-GGZOMVNGSA-N -1 3 317.263 2.654 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@H]2C)c1 ZINC000451056387 429758073 /nfs/dbraw/zinc/75/80/73/429758073.db2.gz QSDBGFUBAVTDRF-OLZOCXBDSA-N -1 3 317.476 2.930 20 0 DFADHM CCSc1nnc([N-]C(=O)c2ncccc2Cl)s1 ZINC000431395843 429759192 /nfs/dbraw/zinc/75/91/92/429759192.db2.gz HOAJTEHXAQNKMJ-UHFFFAOYSA-N -1 3 300.796 2.951 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cccc2ncccc21)C(C)(F)F ZINC000451069770 429761621 /nfs/dbraw/zinc/76/16/21/429761621.db2.gz GBDXQKLSGBSTDD-SECBINFHSA-N -1 3 300.330 2.557 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cccc2cccnc21)C(F)F ZINC000451086423 429766633 /nfs/dbraw/zinc/76/66/33/429766633.db2.gz UXEILCBJLRYHIO-SNVBAGLBSA-N -1 3 300.330 2.557 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCCOC2CCCC2)c1 ZINC000451138541 429773840 /nfs/dbraw/zinc/77/38/40/429773840.db2.gz ZSCRZXGEBDAHNV-UHFFFAOYSA-N -1 3 303.449 2.684 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000493493972 429774180 /nfs/dbraw/zinc/77/41/80/429774180.db2.gz NFLMXGGGMSWATG-PCAWENJQSA-N -1 3 314.307 2.991 20 0 DFADHM CC(C)[C@H](CO)O[N-]C(=O)/C=C\c1ccc(F)c(Cl)c1 ZINC000493566833 429787908 /nfs/dbraw/zinc/78/79/08/429787908.db2.gz YSTNKDSGYITFQM-AGLBCWCQSA-N -1 3 301.745 2.557 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000451204796 429789305 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ZINC000575173787 430056005 /nfs/dbraw/zinc/05/60/05/430056005.db2.gz ILZFSOBYOSEUGS-UHFFFAOYSA-N -1 3 323.400 3.269 20 0 DFADHM CC(C)C[C@]1(C)CC(=O)[N-]N(c2cc(F)cc(F)c2F)C1=O ZINC000634632893 430061904 /nfs/dbraw/zinc/06/19/04/430061904.db2.gz DGGJVPGWVDNNRZ-OAHLLOKOSA-N -1 3 314.307 2.924 20 0 DFADHM CCC(NC(=O)c1cc(=O)[n-]c(C2CC2)n1)(C1CC1)C1CC1 ZINC000529800292 430067236 /nfs/dbraw/zinc/06/72/36/430067236.db2.gz NHLJVQGHQZVITN-UHFFFAOYSA-N -1 3 301.390 2.758 20 0 DFADHM CC(C)C(=O)N1CCC(C(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000560822021 430068643 /nfs/dbraw/zinc/06/86/43/430068643.db2.gz VSNXFPUEMNAQSD-UHFFFAOYSA-N -1 3 324.808 2.879 20 0 DFADHM O=c1cc(C[S@@](=O)Cc2ccccc2F)nc(C2CC2)[n-]1 ZINC000561137499 430077016 /nfs/dbraw/zinc/07/70/16/430077016.db2.gz FBJDSFCKSUWMTL-NRFANRHFSA-N -1 3 306.362 2.648 20 0 DFADHM COC1(CS(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)CCC1 ZINC000634791570 430114049 /nfs/dbraw/zinc/11/40/49/430114049.db2.gz GHQVSIPUHZPAQI-UHFFFAOYSA-N -1 3 308.403 2.787 20 0 DFADHM Cc1ccccc1-c1noc(CN2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1 ZINC000634693804 430080626 /nfs/dbraw/zinc/08/06/26/430080626.db2.gz DXBWBABERWOCRG-SJKOYZFVSA-N -1 3 315.373 2.588 20 0 DFADHM COc1cccc([C@H](C(=O)[O-])N2CCC(c3ccon3)CC2)c1 ZINC000634692682 430082033 /nfs/dbraw/zinc/08/20/33/430082033.db2.gz GNFOFRSWCLYBKZ-MRXNPFEDSA-N -1 3 316.357 2.689 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2n[nH]c3c2cccc3Cl)c1 ZINC000534074720 430159865 /nfs/dbraw/zinc/15/98/65/430159865.db2.gz MPDNMQDQVVRZHI-UHFFFAOYSA-N -1 3 317.732 3.183 20 0 DFADHM COC(=O)c1ccccc1CCC(=O)Nc1cccc([O-])c1F ZINC000535657175 430165260 /nfs/dbraw/zinc/16/52/60/430165260.db2.gz DCNMPEMEFYUSGT-UHFFFAOYSA-N -1 3 317.316 2.889 20 0 DFADHM Cc1nc(C)c(CCC(=O)Nc2scnc2C2CC2)c(=O)[n-]1 ZINC000535668893 430166668 /nfs/dbraw/zinc/16/66/68/430166668.db2.gz MLIUHULNUYAYDJ-UHFFFAOYSA-N -1 3 318.402 2.704 20 0 DFADHM CCOC(=O)c1cc(NC(=O)C[C@@H](C)C2CCCCC2)n[n-]1 ZINC000537547732 430173891 /nfs/dbraw/zinc/17/38/91/430173891.db2.gz 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/nfs/dbraw/zinc/12/14/67/430121467.db2.gz NJJJQJSEIBZBPJ-UHFFFAOYSA-N -1 3 301.390 2.791 20 0 DFADHM C[C@@H](NCc1csc(Nc2ccccc2)n1)[C@H](C)C(=O)[O-] ZINC000578634808 430122553 /nfs/dbraw/zinc/12/25/53/430122553.db2.gz JZRYRXVLQUKKAZ-WDEREUQCSA-N -1 3 305.403 3.086 20 0 DFADHM CC(C)COc1cc([N-]C(=O)c2ocnc2C2CC2)ncn1 ZINC000637763407 430127322 /nfs/dbraw/zinc/12/73/22/430127322.db2.gz JJOSPTPWMJKJTF-UHFFFAOYSA-N -1 3 302.334 2.629 20 0 DFADHM CC(C)C[C@](C)(CC(=O)[O-])C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000634844036 430131653 /nfs/dbraw/zinc/13/16/53/430131653.db2.gz BKQBTFZATSREIV-CXAGYDPISA-N -1 3 312.454 2.503 20 0 DFADHM CCc1ccc(C(=O)NCc2nnc(C3CC3)s2)c([O-])c1 ZINC000580628322 430141179 /nfs/dbraw/zinc/14/11/79/430141179.db2.gz XCBBGKJTVWSWGZ-UHFFFAOYSA-N -1 3 303.387 2.614 20 0 DFADHM Cc1ncc(CNC(=O)Nc2nc(C3CCC3)cs2)c(=O)[n-]1 ZINC000562520259 430142215 /nfs/dbraw/zinc/14/22/15/430142215.db2.gz KRMVYAVNCLWFKT-UHFFFAOYSA-N -1 3 319.390 2.536 20 0 DFADHM O=C(Nc1ccc2c(c1)CCCN2)c1cc(=O)[n-]c(C2CC2)n1 ZINC000637837433 430143702 /nfs/dbraw/zinc/14/37/02/430143702.db2.gz FAOJRYKGEFMYAR-UHFFFAOYSA-N -1 3 310.357 2.670 20 0 DFADHM O=c1[n-]nc(C2CCN(Cc3ccc4ncccc4c3)CC2)o1 ZINC000562541818 430145710 /nfs/dbraw/zinc/14/57/10/430145710.db2.gz CLDLMZPTZIGNCA-UHFFFAOYSA-N -1 3 310.357 2.703 20 0 DFADHM CC(=O)N1CC[C@@H](NC(=O)c2cc(C)ccc2[O-])c2ccccc21 ZINC000362739174 277004513 /nfs/dbraw/zinc/00/45/13/277004513.db2.gz XOYGCSSGQRUXRS-MRXNPFEDSA-N -1 3 324.380 2.928 20 0 DFADHM Cc1noc(C2CC2)c1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000563400269 430186871 /nfs/dbraw/zinc/18/68/71/430186871.db2.gz VXIKTCVHTHCXCQ-UHFFFAOYSA-N -1 3 301.281 2.523 20 0 DFADHM Cc1noc(C2CC2)c1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000563400269 430186876 /nfs/dbraw/zinc/18/68/76/430186876.db2.gz VXIKTCVHTHCXCQ-UHFFFAOYSA-N -1 3 301.281 2.523 20 0 DFADHM CCc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000565306231 430206106 /nfs/dbraw/zinc/20/61/06/430206106.db2.gz YVYPZAMWDIMMHN-GOEBONIOSA-N 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/nfs/dbraw/zinc/24/94/15/430249415.db2.gz XTSPZYQTJBIBGA-SUMWQHHRSA-N -1 3 313.401 2.723 20 0 DFADHM Cc1ncc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1-c1ccccc1 ZINC000566228196 430250162 /nfs/dbraw/zinc/25/01/62/430250162.db2.gz XTSPZYQTJBIBGA-CXAGYDPISA-N -1 3 313.401 2.723 20 0 DFADHM CC(C)c1ccc(C[C@H](C)NCc2cc(C(=O)[O-])nn2C)cc1 ZINC000635307270 430251374 /nfs/dbraw/zinc/25/13/74/430251374.db2.gz KQOPDLMVZVFYHV-ZDUSSCGKSA-N -1 3 315.417 2.963 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000635306397 430251490 /nfs/dbraw/zinc/25/14/90/430251490.db2.gz RPFOCSCSBALCPK-MRXNPFEDSA-N -1 3 317.364 2.888 20 0 DFADHM Cc1ccc([C@@H]2CCN(Cc3cc(C(=O)[O-])nn3C)C2)c(C)c1 ZINC000635312770 430252805 /nfs/dbraw/zinc/25/28/05/430252805.db2.gz FBGUJDSXIFUMDN-CQSZACIVSA-N -1 3 313.401 2.725 20 0 DFADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@]2(CCCOC2)C1 ZINC000566361650 430253228 /nfs/dbraw/zinc/25/32/28/430253228.db2.gz LVMGQFNLPYHSGO-QGZVFWFLSA-N -1 3 307.365 2.917 20 0 DFADHM Cn1cc(CN2CCC[C@H](C(=O)[O-])C2)c(-c2ccc(F)cc2)n1 ZINC000635322267 430254277 /nfs/dbraw/zinc/25/42/77/430254277.db2.gz FSIOTLJYUJWBSM-ZDUSSCGKSA-N -1 3 317.364 2.523 20 0 DFADHM O=C(Cc1cncc([O-])c1)NCC1(c2cccc(Cl)c2)CC1 ZINC000581954378 430254702 /nfs/dbraw/zinc/25/47/02/430254702.db2.gz VLRTVAAKFDJVGA-UHFFFAOYSA-N -1 3 316.788 2.831 20 0 DFADHM CC=Cc1cn(Cc2nc(=O)c3c(C)c(C)sc3[n-]2)nn1 ZINC000640794437 430259788 /nfs/dbraw/zinc/25/97/88/430259788.db2.gz KAZKPAOJWHHDOR-PLNGDYQASA-N -1 3 301.375 2.687 20 0 DFADHM CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1cnc(C)[n-]c1=O ZINC000544120339 430274224 /nfs/dbraw/zinc/27/42/24/430274224.db2.gz PCUBLLODFDVRGS-TZMCWYRMSA-N -1 3 306.410 2.649 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)n2cc(C3CCCCC3)nn2)on1 ZINC000640901244 430278802 /nfs/dbraw/zinc/27/88/02/430278802.db2.gz YXMKMZCTBDZNNP-NSHDSACASA-N -1 3 303.366 2.822 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)n2cc(-c3sccc3C)nn2)on1 ZINC000640899596 430279475 /nfs/dbraw/zinc/27/94/75/430279475.db2.gz BLRNAGODIIQUDN-JTQLQIEISA-N -1 3 317.374 2.811 20 0 DFADHM O=S(=O)(Cc1ccccc1F)[N-][C@H]1COCc2ccccc21 ZINC000582248495 430281758 /nfs/dbraw/zinc/28/17/58/430281758.db2.gz JTTCDGAFUCNXKV-INIZCTEOSA-N -1 3 321.373 2.517 20 0 DFADHM COc1cccc([C@@H]2C[C@H]2NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000582948565 430349735 /nfs/dbraw/zinc/34/97/35/430349735.db2.gz TWBRSNFBSSCEHK-GOEBONIOSA-N -1 3 315.344 2.755 20 0 DFADHM COC(=O)c1sc2ccccc2c1CN(C)[C@@H](C)C(=O)[O-] ZINC000567988550 430302425 /nfs/dbraw/zinc/30/24/25/430302425.db2.gz HPFHXFYRMXBUAP-VIFPVBQESA-N -1 3 307.371 2.593 20 0 DFADHM CCC[C@H](C)S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000567999418 430304129 /nfs/dbraw/zinc/30/41/29/430304129.db2.gz QILVXQMBCZRDGW-NSHDSACASA-N -1 3 311.382 2.942 20 0 DFADHM CN(CCC(C)(C)CC(=O)[O-])Cc1ccc([S@@](C)=O)cc1 ZINC000568064325 430313028 /nfs/dbraw/zinc/31/30/28/430313028.db2.gz AMVHBLCKUFEJIG-OAQYLSRUSA-N -1 3 311.447 2.747 20 0 DFADHM CN(CCC(C)(C)CC(=O)[O-])Cc1ccc([S@](C)=O)cc1 ZINC000568064324 430313113 /nfs/dbraw/zinc/31/31/13/430313113.db2.gz AMVHBLCKUFEJIG-NRFANRHFSA-N -1 3 311.447 2.747 20 0 DFADHM C[C@@H](c1nc(-c2ccccc2)no1)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000568075601 430314675 /nfs/dbraw/zinc/31/46/75/430314675.db2.gz PQWFXSNJYHAXRN-BWACUDIHSA-N -1 3 315.373 2.840 20 0 DFADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCN3CCCC3)c12 ZINC000582609469 430315161 /nfs/dbraw/zinc/31/51/61/430315161.db2.gz KFTIISFPEZAUHQ-UHFFFAOYSA-N -1 3 320.418 2.514 20 0 DFADHM Cn1cc(C(C)(C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)cn1 ZINC000568364816 430350782 /nfs/dbraw/zinc/35/07/82/430350782.db2.gz ZJKKEQRMZDTWDU-UHFFFAOYSA-N -1 3 323.400 2.608 20 0 DFADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000582639624 430316753 /nfs/dbraw/zinc/31/67/53/430316753.db2.gz RJOWDEIGBJZGGA-NWDGAFQWSA-N -1 3 316.792 2.542 20 0 DFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC2(CCC2)C1 ZINC000582624798 430317323 /nfs/dbraw/zinc/31/73/23/430317323.db2.gz DKFDDILITAPDFS-UHFFFAOYSA-N -1 3 318.323 2.823 20 0 DFADHM 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/nfs/dbraw/zinc/59/86/31/430598631.db2.gz MGMQPVLYLCPMKJ-HZPDHXFCSA-N -1 3 322.408 2.909 20 0 DFADHM CCCN(CC(=O)N1CCC(C(=O)[O-])CC1)CC1CCCCC1 ZINC000643054329 430546109 /nfs/dbraw/zinc/54/61/09/430546109.db2.gz KDHNEJRLZLGLLT-UHFFFAOYSA-N -1 3 324.465 2.602 20 0 DFADHM COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1Cc1ncccc1[O-] ZINC000554858851 430654221 /nfs/dbraw/zinc/65/42/21/430654221.db2.gz ZYSYDXNFSMWUFJ-GOEBONIOSA-N -1 3 318.417 2.731 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H]2COCc3ccccc32)c1 ZINC000571863627 430657334 /nfs/dbraw/zinc/65/73/34/430657334.db2.gz ICYSZBWDUUGXER-ZDUSSCGKSA-N -1 3 309.412 2.606 20 0 DFADHM CN(CC[C@@H]1CCCO1)c1c(C(=O)[O-])cnc2ccccc21 ZINC000571885098 430659641 /nfs/dbraw/zinc/65/96/41/430659641.db2.gz AVGBRNFXAJEZEV-LBPRGKRZSA-N -1 3 300.358 2.938 20 0 DFADHM O=C(NCc1ccccc1Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553202588 430610322 /nfs/dbraw/zinc/61/03/22/430610322.db2.gz ZFVMNGWZDCZVTF-UHFFFAOYSA-N -1 3 303.749 2.643 20 0 DFADHM O=C([O-])c1coc(CN(CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000571219438 430612887 /nfs/dbraw/zinc/61/28/87/430612887.db2.gz FUSNTKLPPZKXGS-MRXNPFEDSA-N -1 3 315.369 2.811 20 0 DFADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000553494307 430618414 /nfs/dbraw/zinc/61/84/14/430618414.db2.gz DVSFIZWWJHGXPM-MGCOHNPYSA-N -1 3 322.352 2.957 20 0 DFADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2nc(C)no2)c1[O-] ZINC000553756574 430623312 /nfs/dbraw/zinc/62/33/12/430623312.db2.gz SDCLVIKBSGBJKA-CYBMUJFWSA-N -1 3 301.346 2.623 20 0 DFADHM N=C1Nc2nc3ccccc3n2[C@H](c2cccc([O-])c2Cl)N1 ZINC000639406282 430635545 /nfs/dbraw/zinc/63/55/45/430635545.db2.gz JXMKMXGIXVCTOM-CYBMUJFWSA-N -1 3 313.748 2.892 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CC[C@@](F)(c2ccccc2)C1 ZINC000571539828 430635994 /nfs/dbraw/zinc/63/59/94/430635994.db2.gz HEIRPAYACYTPDA-KRWDZBQOSA-N -1 3 310.332 2.669 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CC[C@@](F)(c2ccccc2)C1 ZINC000571539828 430635997 /nfs/dbraw/zinc/63/59/97/430635997.db2.gz HEIRPAYACYTPDA-KRWDZBQOSA-N -1 3 310.332 2.669 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CC[C@@](F)(c2ccccc2)C1 ZINC000571539828 430635999 /nfs/dbraw/zinc/63/59/99/430635999.db2.gz HEIRPAYACYTPDA-KRWDZBQOSA-N -1 3 310.332 2.669 20 0 DFADHM C[C@@H]1CN(Cc2coc(-c3ccccc3)n2)C[C@]1(C)C(=O)[O-] ZINC000571570803 430637822 /nfs/dbraw/zinc/63/78/22/430637822.db2.gz JOUGMUCQMMGXML-PXAZEXFGSA-N -1 3 300.358 2.884 20 0 DFADHM Cc1ccc(NC(=O)c2cnc(C3CCCC3)nc2N)c([O-])c1 ZINC000554484581 430638341 /nfs/dbraw/zinc/63/83/41/430638341.db2.gz TZTCGDSBQLLULN-UHFFFAOYSA-N -1 3 312.373 2.983 20 0 DFADHM Cc1cncc(C=Cc2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000643894938 430640561 /nfs/dbraw/zinc/64/05/61/430640561.db2.gz CVNCTYTWYKOXGA-GORDUTHDSA-N -1 3 304.313 2.882 20 0 DFADHM CCc1cc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)ccc1[O-] ZINC000644126486 430666197 /nfs/dbraw/zinc/66/61/97/430666197.db2.gz RWBZBKFKSOFHFS-NOZJJQNGSA-N -1 3 317.307 2.746 20 0 DFADHM COc1ccc2c(c1)CCCN([C@@H](C(=O)[O-])c1cccnc1)C2 ZINC000571931650 430662207 /nfs/dbraw/zinc/66/22/07/430662207.db2.gz XELRMBVROOWYPE-QGZVFWFLSA-N -1 3 312.369 2.664 20 0 DFADHM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc2[n-]nnc21 ZINC000556674648 430688319 /nfs/dbraw/zinc/68/83/19/430688319.db2.gz VVRFZBOSLXLIML-DTWKUNHWSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc2nn[n-]c21 ZINC000556674648 430688320 /nfs/dbraw/zinc/68/83/20/430688320.db2.gz VVRFZBOSLXLIML-DTWKUNHWSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc2n[n-]nc21 ZINC000556674648 430688322 /nfs/dbraw/zinc/68/83/22/430688322.db2.gz VVRFZBOSLXLIML-DTWKUNHWSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)[C@@H]2CCCC[C@@H]21 ZINC000282794991 288017824 /nfs/dbraw/zinc/01/78/24/288017824.db2.gz RLHBELCJGLYDNY-GLXFQSAKSA-N -1 3 302.353 2.748 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)[C@@H]2CCCC[C@@H]21 ZINC000282794991 288017826 /nfs/dbraw/zinc/01/78/26/288017826.db2.gz RLHBELCJGLYDNY-GLXFQSAKSA-N -1 3 302.353 2.748 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)[C@@H]2CCCC[C@@H]21 ZINC000282794991 288017828 /nfs/dbraw/zinc/01/78/28/288017828.db2.gz RLHBELCJGLYDNY-GLXFQSAKSA-N -1 3 302.353 2.748 20 0 DFADHM C[C@H](c1ccc2ccccc2c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000328920100 278309454 /nfs/dbraw/zinc/30/94/54/278309454.db2.gz SSIKDMIMIKAHFM-MLGOLLRUSA-N -1 3 309.369 2.977 20 0 DFADHM CC1(C)CN(C(=O)c2c([O-])cccc2O)Cc2ccccc2O1 ZINC000290700087 278319497 /nfs/dbraw/zinc/31/94/97/278319497.db2.gz SQIQTSTUHFLEOR-UHFFFAOYSA-N -1 3 313.353 2.911 20 0 DFADHM C[C@H]1CC(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)C[C@H](C)O1 ZINC000092120982 278323595 /nfs/dbraw/zinc/32/35/95/278323595.db2.gz ZRHFWFAKGXZBRP-UWVGGRQHSA-N -1 3 318.352 2.753 20 0 DFADHM COc1cccc(SC)c1[N-]C(=O)c1cn(CC2CC2)nn1 ZINC000572704206 430695555 /nfs/dbraw/zinc/69/55/55/430695555.db2.gz RUPGIPIAKBSDKY-UHFFFAOYSA-N -1 3 318.402 2.671 20 0 DFADHM CC1(C)C[C@@]2(C[C@@H]2C(=O)[N-]C2=NCCS2)c2ccccc2O1 ZINC000376692490 278375075 /nfs/dbraw/zinc/37/50/75/278375075.db2.gz YPOCDFXYCQVRTH-PXAZEXFGSA-N -1 3 316.426 2.724 20 0 DFADHM C[C@H](NCc1cc([O-])ccc1Br)c1nccn1C ZINC000657794851 430736269 /nfs/dbraw/zinc/73/62/69/430736269.db2.gz XSRXCVNAGSISBH-VIFPVBQESA-N -1 3 310.195 2.739 20 0 DFADHM CCOc1cc(-c2noc([C@]34C[C@H]3COC4(C)C)n2)ccc1[O-] ZINC000664844317 430761787 /nfs/dbraw/zinc/76/17/87/430761787.db2.gz GADSPQPGTXBOEI-GTNSWQLSSA-N -1 3 316.357 2.907 20 0 DFADHM CCCCOc1ccc(C(=O)N2CC(CCOC)C2)c([O-])c1 ZINC000644766873 430817196 /nfs/dbraw/zinc/81/71/96/430817196.db2.gz BZTWCQBHXCJEJG-UHFFFAOYSA-N -1 3 307.390 2.680 20 0 DFADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651609575 430830789 /nfs/dbraw/zinc/83/07/89/430830789.db2.gz DGVPFAUVTSZGTP-VIFPVBQESA-N -1 3 323.817 2.555 20 0 DFADHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651629239 430834931 /nfs/dbraw/zinc/83/49/31/430834931.db2.gz OGBFMVVPZTUDFE-VIFPVBQESA-N -1 3 323.817 2.555 20 0 DFADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000648432707 430784832 /nfs/dbraw/zinc/78/48/32/430784832.db2.gz FUDWJMVRIHTCRR-MBTKJCJQSA-N -1 3 321.730 2.895 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(=O)[n-]c(C3CC3)n1)CC2 ZINC000654754259 430805457 /nfs/dbraw/zinc/80/54/57/430805457.db2.gz TTWVMYBDCNUPFN-AWEZNQCLSA-N -1 3 309.369 2.785 20 0 DFADHM CCC(CC)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000104921960 278593920 /nfs/dbraw/zinc/59/39/20/278593920.db2.gz OCZBDAWECFBPBK-OAHLLOKOSA-N -1 3 318.417 2.549 20 0 DFADHM Cc1ccc(NC(=O)C2(C(F)(F)F)CCOCC2)c([O-])c1 ZINC000665203251 430854936 /nfs/dbraw/zinc/85/49/36/430854936.db2.gz BBKDBFZEVXARSG-UHFFFAOYSA-N -1 3 303.280 2.998 20 0 DFADHM Cn1ccnc1C[C@H]([N-]c1nnc(C(F)F)o1)c1ccccc1 ZINC000644937553 430872317 /nfs/dbraw/zinc/87/23/17/430872317.db2.gz IKZVMPUGLWNZIH-NSHDSACASA-N -1 3 319.315 3.137 20 0 DFADHM Cn1[n-]c([C@H]2CCCN2C(=O)CCC2CCCCCC2)nc1=N ZINC000655053389 430884091 /nfs/dbraw/zinc/88/40/91/430884091.db2.gz SCQAPPJTWBZBAG-CQSZACIVSA-N -1 3 319.453 2.642 20 0 DFADHM CC1(C)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H]1c1cccnc1 ZINC000655105333 430897148 /nfs/dbraw/zinc/89/71/48/430897148.db2.gz OTBUXDWCCACLSE-OAHLLOKOSA-N -1 3 324.384 2.678 20 0 DFADHM C[C@@H](COC1CCCC1)CS(=O)(=O)[N-]C(C)(C)C(F)F ZINC000645085160 430899452 /nfs/dbraw/zinc/89/94/52/430899452.db2.gz QKHBUTAVMNDLQQ-JTQLQIEISA-N -1 3 313.410 2.545 20 0 DFADHM O=C([O-])[C@]12COC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1)C2 ZINC000665344609 430902577 /nfs/dbraw/zinc/90/25/77/430902577.db2.gz PPSZQWDYTXOIQW-QMTHXVAHSA-N -1 3 316.184 2.526 20 0 DFADHM O=C([O-])C1(CNCc2csc(-c3ccccn3)n2)CCC1 ZINC000665354630 430906460 /nfs/dbraw/zinc/90/64/60/430906460.db2.gz VXZOODKHVWFMIJ-UHFFFAOYSA-N -1 3 303.387 2.550 20 0 DFADHM O=C([O-])[C@@H](CNCc1csc(-c2ccccn2)n1)C1CCC1 ZINC000665362296 430909806 /nfs/dbraw/zinc/90/98/06/430909806.db2.gz AIYXWIPWRDGKBZ-ZDUSSCGKSA-N -1 3 317.414 2.796 20 0 DFADHM O=C([O-])[C@@H](CNCc1cn2cc(Cl)ccc2n1)C1CCC1 ZINC000665360732 430910034 /nfs/dbraw/zinc/91/00/34/430910034.db2.gz AUCCCKNGYTVLBL-ZDUSSCGKSA-N -1 3 307.781 2.578 20 0 DFADHM COc1cc2c(c(CNC[C@H](C(=O)[O-])C3CCC3)c1)O[C@H](C)C2 ZINC000665361200 430910160 /nfs/dbraw/zinc/91/01/60/430910160.db2.gz LHFZHWWGEVACMF-BZNIZROVSA-N -1 3 319.401 2.609 20 0 DFADHM COc1nc2ccccc2cc1CNC[C@@H](C(=O)[O-])C1CCC1 ZINC000665360966 430910210 /nfs/dbraw/zinc/91/02/10/430910210.db2.gz GXVRVDLEUFCNAW-OAHLLOKOSA-N -1 3 314.385 2.834 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)c2cn(C3CCC3)nn2)c1[O-] ZINC000648842339 430910503 /nfs/dbraw/zinc/91/05/03/430910503.db2.gz PJDRPVDAGJJZJJ-UHFFFAOYSA-N -1 3 306.753 2.923 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cn(C3CCC3)nn2)c2c([O-])cccc21 ZINC000648863534 430917306 /nfs/dbraw/zinc/91/73/06/430917306.db2.gz JESVDRHXZIASDX-LLVKDONJSA-N -1 3 312.373 2.863 20 0 DFADHM CN(C)[C@@H](CN=c1nc(-c2cc(F)cc(F)c2)[n-]s1)C1CC1 ZINC000645158897 430919825 /nfs/dbraw/zinc/91/98/25/430919825.db2.gz ZBGBQUGNLXQQTL-ZDUSSCGKSA-N -1 3 324.400 2.657 20 0 DFADHM CN(C)[C@H](CN=c1nc(-c2cc(F)cc(F)c2)[n-]s1)C1CC1 ZINC000645158896 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HIRQVBRYAWVACW-UHFFFAOYSA-N -1 3 301.375 2.515 20 0 DFADHM CC(C)c1ccc2ncnc(Sc3n[n-]c(CO)n3)c2c1 ZINC000663835749 431559735 /nfs/dbraw/zinc/55/97/35/431559735.db2.gz HIRQVBRYAWVACW-UHFFFAOYSA-N -1 3 301.375 2.515 20 0 DFADHM CC(C)c1ccc2ncnc(N(C)C[C@H](C)c3nnn[n-]3)c2c1 ZINC000663796524 431544173 /nfs/dbraw/zinc/54/41/73/431544173.db2.gz FQPOVYXTZCKSAW-NSHDSACASA-N -1 3 311.393 2.506 20 0 DFADHM CC(C)c1ccc2ncnc(N(C)C[C@H](C)c3nn[n-]n3)c2c1 ZINC000663796524 431544178 /nfs/dbraw/zinc/54/41/78/431544178.db2.gz FQPOVYXTZCKSAW-NSHDSACASA-N -1 3 311.393 2.506 20 0 DFADHM CC(C)(C)CC[C@@H](NC(=O)[C@@H](N)CC1CCCCC1)C(=O)[O-] ZINC000656853437 431552542 /nfs/dbraw/zinc/55/25/42/431552542.db2.gz IUKJSWHJFXYZAG-UONOGXRCSA-N -1 3 312.454 2.680 20 0 DFADHM CC[C@H](NCc1nc(=O)c2sccc2[n-]1)[C@@H]1CCCCO1 ZINC000653877736 431566315 /nfs/dbraw/zinc/56/63/15/431566315.db2.gz SFFMCTKJXMRGSY-JQWIXIFHSA-N -1 3 307.419 2.834 20 0 DFADHM O=C([C@@H]1OCCc2ccccc21)N1CCCc2cccc([O-])c21 ZINC000182949855 280119234 /nfs/dbraw/zinc/11/92/34/280119234.db2.gz SSFZEFAVIDJOBI-GOSISDBHSA-N -1 3 309.365 2.985 20 0 DFADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656963299 431570196 /nfs/dbraw/zinc/57/01/96/431570196.db2.gz MQEIQROHDLRKNL-UHFFFAOYSA-N -1 3 321.801 2.514 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NCCCOc2ccc(F)cc2)n1 ZINC000660748673 431575914 /nfs/dbraw/zinc/57/59/14/431575914.db2.gz ZHGKGPVEVOBIGY-UHFFFAOYSA-N -1 3 319.380 2.924 20 0 DFADHM COc1ccc(C)cc1CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660747724 431576673 /nfs/dbraw/zinc/57/66/73/431576673.db2.gz RYXXIRPGBSLPKM-UHFFFAOYSA-N -1 3 301.390 2.833 20 0 DFADHM COc1nc(C)cc(C)c1CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660750039 431577308 /nfs/dbraw/zinc/57/73/08/431577308.db2.gz WSZPLBVXQRZQEX-UHFFFAOYSA-N -1 3 316.405 2.536 20 0 DFADHM Cc1ccncc1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000657082363 431595660 /nfs/dbraw/zinc/59/56/60/431595660.db2.gz NHLMWBNWIRMEMZ-UHFFFAOYSA-N -1 3 316.835 2.626 20 0 DFADHM Cc1nocc1CSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000663931152 431596787 /nfs/dbraw/zinc/59/67/87/431596787.db2.gz IWELAWSFWXCCRD-UHFFFAOYSA-N -1 3 302.359 2.936 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2C[C@@H](C)OC3(CCCCC3)C2)on1 ZINC000653908404 431581533 /nfs/dbraw/zinc/58/15/33/431581533.db2.gz MAQSWPAXLBXBSJ-ZIAGYGMSSA-N -1 3 321.421 2.734 20 0 DFADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CO1 ZINC000657042210 431586681 /nfs/dbraw/zinc/58/66/81/431586681.db2.gz QBWQICIDFIUANE-SECBINFHSA-N -1 3 324.229 2.839 20 0 DFADHM CC(C)CN1CCC[C@@H]1CNc1ncc(C(=O)[O-])cc1Cl ZINC000647451911 431587497 /nfs/dbraw/zinc/58/74/97/431587497.db2.gz KYZMXXWADDKGBM-GFCCVEGCSA-N -1 3 311.813 2.966 20 0 DFADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C)cnc1C ZINC000650489411 431588090 /nfs/dbraw/zinc/58/80/90/431588090.db2.gz MGMPACPJSOJIHL-ZDUSSCGKSA-N -1 3 300.424 2.501 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c1 ZINC000657050041 431588379 /nfs/dbraw/zinc/58/83/79/431588379.db2.gz IAJYYOYBOMNUDK-ZANVPECISA-N -1 3 301.795 2.570 20 0 DFADHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000657057857 431588859 /nfs/dbraw/zinc/58/88/59/431588859.db2.gz JWKMDKZZJKAMNL-GFCCVEGCSA-N -1 3 303.449 2.540 20 0 DFADHM CO[C@H](CS(=O)(=O)[N-]c1cc(C)cnc1C)c1ccccc1 ZINC000650489564 431589175 /nfs/dbraw/zinc/58/91/75/431589175.db2.gz QTKBLECKHFBZEV-MRXNPFEDSA-N -1 3 320.414 2.828 20 0 DFADHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000657058828 431589798 /nfs/dbraw/zinc/58/97/98/431589798.db2.gz VIXCNEITLHFMEH-CYBMUJFWSA-N -1 3 315.410 2.618 20 0 DFADHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000657058441 431590410 /nfs/dbraw/zinc/59/04/10/431590410.db2.gz PZURVQMZQQYXMD-ZDUSSCGKSA-N -1 3 315.410 2.618 20 0 DFADHM C[C@@H]1CCN(Cc2cnc(-c3ccco3)s2)C[C@@H]1C(=O)[O-] ZINC000647461451 431592324 /nfs/dbraw/zinc/59/23/24/431592324.db2.gz PYMYPYWJDWYAPX-PWSUYJOCSA-N -1 3 306.387 2.946 20 0 DFADHM O=S(=O)([N-]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cccs1 ZINC000657147727 431607313 /nfs/dbraw/zinc/60/73/13/431607313.db2.gz ZVPWYSDCMLLYFK-KBPBESRZSA-N -1 3 323.439 2.599 20 0 DFADHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)O1 ZINC000657153154 431609695 /nfs/dbraw/zinc/60/96/95/431609695.db2.gz BNPWZFVZASXVPS-VHSXEESVSA-N -1 3 321.801 2.715 20 0 DFADHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)O1 ZINC000657153151 431609847 /nfs/dbraw/zinc/60/98/47/431609847.db2.gz BNPWZFVZASXVPS-NXEZZACHSA-N -1 3 321.801 2.715 20 0 DFADHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)O1 ZINC000657155164 431610552 /nfs/dbraw/zinc/61/05/52/431610552.db2.gz GWOTYCFHRGRRCS-IUCAKERBSA-N -1 3 309.840 2.637 20 0 DFADHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)O1 ZINC000657156285 431610686 /nfs/dbraw/zinc/61/06/86/431610686.db2.gz NOCQBBWFECZCBE-KOLCDFICSA-N -1 3 321.801 2.715 20 0 DFADHM COc1ccc(F)cc1S(=O)(=O)[N-]CC[C@@]1(C)CC1(F)F ZINC000657157316 431613930 /nfs/dbraw/zinc/61/39/30/431613930.db2.gz NJLWSLQHWZAKGA-LBPRGKRZSA-N -1 3 323.336 2.548 20 0 DFADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCCC3CCC3)cn21 ZINC000657158390 431614055 /nfs/dbraw/zinc/61/40/55/431614055.db2.gz XYRRVRLOCYLSLC-GFCCVEGCSA-N -1 3 311.451 2.639 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC000657173950 431618043 /nfs/dbraw/zinc/61/80/43/431618043.db2.gz UMLYWNAXLNKFIM-SECBINFHSA-N -1 3 308.325 2.567 20 0 DFADHM CC(C)Cn1nccc1CN[C@H](CC(=O)[O-])c1ccccc1 ZINC000647646102 431643248 /nfs/dbraw/zinc/64/32/48/431643248.db2.gz WBJKZCCBTWZNTH-MRXNPFEDSA-N -1 3 301.390 2.845 20 0 DFADHM CN(c1nc(COc2ccc3c([O-])coc3c2)cs1)C1CC1 ZINC000664137172 431667049 /nfs/dbraw/zinc/66/70/49/431667049.db2.gz YDUYRPJVAAVLQV-UHFFFAOYSA-N -1 3 316.382 2.896 20 0 DFADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)COc1ccc2c([O-])coc2c1 ZINC000664137111 431667342 /nfs/dbraw/zinc/66/73/42/431667342.db2.gz XNAVJLBDBMBPEE-IUODEOHRSA-N -1 3 317.385 2.678 20 0 DFADHM CC(C)c1ccc([C@H](C)CC(=O)[N-]c2nnc3[nH]cnn23)cc1 ZINC000647737692 431676289 /nfs/dbraw/zinc/67/62/89/431676289.db2.gz UUGROBNPYTVIHV-LLVKDONJSA-N -1 3 312.377 2.708 20 0 DFADHM Cc1cccc(C)c1NCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647798568 431692353 /nfs/dbraw/zinc/69/23/53/431692353.db2.gz JSUDFNNQIONTNY-UHFFFAOYSA-N -1 3 310.357 2.936 20 0 DFADHM Cc1noc2nc(C)cc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)c12 ZINC000647801860 431694145 /nfs/dbraw/zinc/69/41/45/431694145.db2.gz YNMMWUKAKJIUCW-UHFFFAOYSA-N -1 3 323.312 2.674 20 0 DFADHM COc1cc(C)nc(CNC[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000650802204 431708253 /nfs/dbraw/zinc/70/82/53/431708253.db2.gz KGBZNLMHLWFTOJ-GOSISDBHSA-N -1 3 314.385 2.531 20 0 DFADHM CCOc1cc(C[N@H+](C)[C@@H](CC)C(=O)[O-])cc(Cl)c1[O-] ZINC000650805715 431709846 /nfs/dbraw/zinc/70/98/46/431709846.db2.gz IIBZQNOYELGSBF-NSHDSACASA-N -1 3 301.770 2.739 20 0 DFADHM CCOc1cc(C[N@@H+](C)[C@@H](CC)C(=O)[O-])cc(Cl)c1[O-] ZINC000650805715 431709853 /nfs/dbraw/zinc/70/98/53/431709853.db2.gz IIBZQNOYELGSBF-NSHDSACASA-N -1 3 301.770 2.739 20 0 DFADHM CCC(N)(CC)CN=c1nc(-c2cc(F)cc(F)c2)[n-]s1 ZINC000647705930 431663791 /nfs/dbraw/zinc/66/37/91/431663791.db2.gz VPWKILDKVZRZEI-UHFFFAOYSA-N -1 3 312.389 2.835 20 0 DFADHM COc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC000363346095 289080705 /nfs/dbraw/zinc/08/07/05/289080705.db2.gz RNUSSFYGPSWMBH-HNNXBMFYSA-N -1 3 313.353 2.694 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc2[nH]ccc21 ZINC000363357777 289082571 /nfs/dbraw/zinc/08/25/71/289082571.db2.gz VYNLGJBKQXJLBT-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc2[nH]ccc21 ZINC000363357777 289082573 /nfs/dbraw/zinc/08/25/73/289082573.db2.gz VYNLGJBKQXJLBT-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM COCc1nc(CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cs1 ZINC000357799430 293332218 /nfs/dbraw/zinc/33/22/18/293332218.db2.gz VBZAPFCBMQXIOF-WXHSDQCUSA-N -1 3 310.419 2.507 20 0 DFADHM COC(=O)C1(NC(=O)c2cccc(C)c2[O-])CCC(C)CC1 ZINC000436487389 297006117 /nfs/dbraw/zinc/00/61/17/297006117.db2.gz SOXLRNKXUNSXTC-UHFFFAOYSA-N -1 3 305.374 2.552 20 0 DFADHM CCc1cccc(NC(=O)CNC(=O)c2ccc(C)cc2[O-])c1 ZINC000436534558 297009917 /nfs/dbraw/zinc/00/99/17/297009917.db2.gz LLHKWRCWXDHVHC-UHFFFAOYSA-N -1 3 312.369 2.632 20 0 DFADHM Cc1nnc([C@@H]2CCCCN2C(=O)c2ccc(C)c(C)c2[O-])[nH]1 ZINC000361105302 293363551 /nfs/dbraw/zinc/36/35/51/293363551.db2.gz SIYYYZBCILBKQO-AWEZNQCLSA-N -1 3 314.389 2.803 20 0 DFADHM CN(C)CCOc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000436491714 297006876 /nfs/dbraw/zinc/00/68/76/297006876.db2.gz QNOKXLUGHSAHST-UHFFFAOYSA-N -1 3 300.358 2.585 20 0 DFADHM COC(=O)[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])c1cccs1 ZINC000436535827 297010281 /nfs/dbraw/zinc/01/02/81/297010281.db2.gz TVXCXLYZQVKQGT-ZDUSSCGKSA-N -1 3 319.382 2.715 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)COCC(F)(F)F)c([O-])c1C ZINC000436541834 297010658 /nfs/dbraw/zinc/01/06/58/297010658.db2.gz ZCARCJJDFVFXBL-VIFPVBQESA-N -1 3 305.296 2.706 20 0 DFADHM Cc1ccc(NC(=O)CNC(=O)c2ccccc2[O-])c(Cl)c1 ZINC000436540984 297010778 /nfs/dbraw/zinc/01/07/78/297010778.db2.gz RTRGYMCRKBUSJQ-UHFFFAOYSA-N -1 3 318.760 2.723 20 0 DFADHM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000436543373 297011186 /nfs/dbraw/zinc/01/11/86/297011186.db2.gz FJCHTYPOXLVVNO-KWQFWETISA-N -1 3 303.280 2.901 20 0 DFADHM COc1ccc(C2(NC(=O)c3ccc(OC)cc3[O-])CC2)cc1 ZINC000436552210 297011725 /nfs/dbraw/zinc/01/17/25/297011725.db2.gz CUZZVFPEHLVHLZ-UHFFFAOYSA-N -1 3 313.353 2.829 20 0 DFADHM O=C(NCC(F)(F)C(F)F)c1ccc2c(c1[O-])CCCC2 ZINC000436552738 297012287 /nfs/dbraw/zinc/01/22/87/297012287.db2.gz AWCURHITZWWMHQ-UHFFFAOYSA-N -1 3 305.271 2.901 20 0 DFADHM Cc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c([O-])c1 ZINC000436553176 297012296 /nfs/dbraw/zinc/01/22/96/297012296.db2.gz DSPXOCVKUGXAKP-OAHLLOKOSA-N -1 3 324.424 2.877 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c([O-])c1C ZINC000436560001 297012725 /nfs/dbraw/zinc/01/27/25/297012725.db2.gz ZNJWVYPXTCICNX-MRXNPFEDSA-N -1 3 324.380 2.544 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H](C)CN1 ZINC000436567950 297013162 /nfs/dbraw/zinc/01/31/62/297013162.db2.gz ZHPOEHRESLKARO-CABCVRRESA-N -1 3 324.424 2.805 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NC[C@@H]3CCCS3)c([O-])c2O1 ZINC000436574673 297013682 /nfs/dbraw/zinc/01/36/82/297013682.db2.gz LFRKSGNWHZZJMI-NSHDSACASA-N -1 3 307.415 2.731 20 0 DFADHM CO[C@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(C)C ZINC000436575028 297013900 /nfs/dbraw/zinc/01/39/00/297013900.db2.gz LUZUDEUDKMTEDQ-CYBMUJFWSA-N -1 3 307.390 2.507 20 0 DFADHM COc1ccc(C(=O)NC[C@@H](C)Oc2ccccc2C)c([O-])c1 ZINC000436580177 297014875 /nfs/dbraw/zinc/01/48/75/297014875.db2.gz ANCYCVDPNFUJGX-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM O=C(NC[C@H](O)C(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436584602 297015337 /nfs/dbraw/zinc/01/53/37/297015337.db2.gz JKPFHVXJFRQNLW-AWEZNQCLSA-N -1 3 323.295 2.540 20 0 DFADHM CCOC[C@@H](O)CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436594332 297016321 /nfs/dbraw/zinc/01/63/21/297016321.db2.gz IMZHYQXHSBQKAN-AWEZNQCLSA-N -1 3 323.433 2.766 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c([O-])c1 ZINC000436592546 297016412 /nfs/dbraw/zinc/01/64/12/297016412.db2.gz WJXBXPLWXRRGJN-CJNGLKHVSA-N -1 3 324.380 2.624 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c([O-])c1 ZINC000436597985 297016689 /nfs/dbraw/zinc/01/66/89/297016689.db2.gz XNILUKFOXDBJEA-ROUUACIJSA-N -1 3 311.381 2.904 20 0 DFADHM Cc1ccc(C(=O)NC2(c3ccc4c(c3)OCO4)CC2)c([O-])c1 ZINC000436600848 297017358 /nfs/dbraw/zinc/01/73/58/297017358.db2.gz GIXQFBBDOGKTOE-UHFFFAOYSA-N -1 3 311.337 2.848 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](CO)C2CCCC2)c([O-])c1 ZINC000436610185 297017916 /nfs/dbraw/zinc/01/79/16/297017916.db2.gz MTJRKXURKHFFKO-MRXNPFEDSA-N -1 3 321.417 2.852 20 0 DFADHM COc1ccc(O)c(NC(=O)c2cc(C)cc(OC)c2[O-])c1 ZINC000436610715 297017943 /nfs/dbraw/zinc/01/79/43/297017943.db2.gz XQHNKYSCGXBXGW-UHFFFAOYSA-N -1 3 303.314 2.676 20 0 DFADHM COc1cc(C)cc(C(=O)N(C)c2ccc3c(c2)OCO3)c1[O-] ZINC000436612878 297018145 /nfs/dbraw/zinc/01/81/45/297018145.db2.gz ZLDXRSHXYDCRKU-UHFFFAOYSA-N -1 3 315.325 2.715 20 0 DFADHM CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])[C@@H](O)C(F)(F)F ZINC000436617967 297018472 /nfs/dbraw/zinc/01/84/72/297018472.db2.gz MCAQBEOFLUXLGF-DGCLKSJQSA-N -1 3 319.323 2.947 20 0 DFADHM Cc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)c([O-])c1C ZINC000436620620 297018629 /nfs/dbraw/zinc/01/86/29/297018629.db2.gz BDNCHHFNHDUDES-UHFFFAOYSA-N -1 3 313.353 2.710 20 0 DFADHM COCC1(CNC(=O)c2cccc(OC)c2[O-])CCCCC1 ZINC000436619357 297018740 /nfs/dbraw/zinc/01/87/40/297018740.db2.gz RGTUAIPGNFKNHZ-UHFFFAOYSA-N -1 3 307.390 2.728 20 0 DFADHM COc1cccc(C(=O)NCCC2Cc3ccccc3C2)c1[O-] ZINC000436650919 297021250 /nfs/dbraw/zinc/02/12/50/297021250.db2.gz YNRWJZZBUXNGSA-UHFFFAOYSA-N -1 3 311.381 2.936 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000436647050 297020992 /nfs/dbraw/zinc/02/09/92/297020992.db2.gz IZHIAXJSBZYEBN-VERVWZFWSA-N -1 3 317.410 2.929 20 0 DFADHM Cc1cccnc1C(C)(C)CNC(=O)c1ccc(O)cc1[O-] ZINC000436647059 297021044 /nfs/dbraw/zinc/02/10/44/297021044.db2.gz IZRQAHQYRVUHHQ-UHFFFAOYSA-N -1 3 300.358 2.509 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2[O-])C12CCCCC2 ZINC000436670684 297023385 /nfs/dbraw/zinc/02/33/85/297023385.db2.gz RZINYNGABLUQJI-CVEARBPZSA-N -1 3 319.401 2.956 20 0 DFADHM O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(O)cc1[O-] ZINC000436668743 297023396 /nfs/dbraw/zinc/02/33/96/297023396.db2.gz FFYYREMBZGAMMB-UHFFFAOYSA-N -1 3 314.316 2.691 20 0 DFADHM O=C(N[C@H](CO)CC1CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436672739 297023554 /nfs/dbraw/zinc/02/35/54/297023554.db2.gz CEBAPCZPQNFMHL-HNNXBMFYSA-N -1 3 303.402 2.552 20 0 DFADHM COc1cccc(C(=O)N(C)Cc2c(F)cccc2F)c1[O-] ZINC000436668856 297023575 /nfs/dbraw/zinc/02/35/75/297023575.db2.gz YPQRVZFAOIRQBN-UHFFFAOYSA-N -1 3 307.296 2.951 20 0 DFADHM CCOc1ccc(CN(C)C(=O)c2c([O-])cccc2O)cc1 ZINC000436672914 297024022 /nfs/dbraw/zinc/02/40/22/297024022.db2.gz OZFYWHYLRNIFOR-UHFFFAOYSA-N -1 3 301.342 2.769 20 0 DFADHM COc1ccc(C(=O)N[C@H](C)COc2cccc(C)c2)c([O-])c1 ZINC000436673947 297024126 /nfs/dbraw/zinc/02/41/26/297024126.db2.gz TULYZLUEVSUANR-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H](c3ccnn3C)C2)c([O-])c1C ZINC000436673594 297024204 /nfs/dbraw/zinc/02/42/04/297024204.db2.gz PMXWHEIADSMGMQ-CQSZACIVSA-N -1 3 313.401 2.762 20 0 DFADHM Cc1cccc(C(=O)NCc2ccn(-c3ccccc3)n2)c1[O-] ZINC000436684928 297024699 /nfs/dbraw/zinc/02/46/99/297024699.db2.gz JGALZBQHLLMMIA-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM C[C@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCS1 ZINC000436686369 297025414 /nfs/dbraw/zinc/02/54/14/297025414.db2.gz FBSYLHYLSHRLFQ-JTQLQIEISA-N -1 3 307.415 2.683 20 0 DFADHM COc1cccc(C(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)c1[O-] ZINC000436696016 297025592 /nfs/dbraw/zinc/02/55/92/297025592.db2.gz HHXFOIYGNBPKGR-UONOGXRCSA-N -1 3 307.390 2.723 20 0 DFADHM C[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])N1CCC(C)CC1 ZINC000436696535 297025646 /nfs/dbraw/zinc/02/56/46/297025646.db2.gz HRONBGORSRUPQP-LBPRGKRZSA-N -1 3 310.825 2.896 20 0 DFADHM COc1cccc(C(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000436704001 297025965 /nfs/dbraw/zinc/02/59/65/297025965.db2.gz NPCJWEQEIYQNAL-CLLJXQQHSA-N -1 3 307.390 2.724 20 0 DFADHM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1ccc(O)cc1[O-] ZINC000436699208 297026157 /nfs/dbraw/zinc/02/61/57/297026157.db2.gz SSKMQZCSXCJMKP-UHFFFAOYSA-N -1 3 315.344 2.990 20 0 DFADHM Cc1cccc(C)c1OCCCNC(=O)c1ccc(O)cc1[O-] ZINC000436704082 297026171 /nfs/dbraw/zinc/02/61/71/297026171.db2.gz FXIAFAIAKWNPHC-UHFFFAOYSA-N -1 3 315.369 2.914 20 0 DFADHM C/C=C/C[C@H](NC(=O)c1ccc([O-])c(CC)c1)C(=O)OCC ZINC000436703101 297026321 /nfs/dbraw/zinc/02/63/21/297026321.db2.gz GBIHVMUTZMFPBV-GBXSZLQWSA-N -1 3 305.374 2.582 20 0 DFADHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436708369 297026650 /nfs/dbraw/zinc/02/66/50/297026650.db2.gz JNOZWRVLLGAJRY-CYBMUJFWSA-N -1 3 315.369 2.912 20 0 DFADHM CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])nc1 ZINC000436744016 297031033 /nfs/dbraw/zinc/03/10/33/297031033.db2.gz ZZGPEWMPVDPFKR-UHFFFAOYSA-N -1 3 319.748 2.960 20 0 DFADHM CCOc1ccc(CNC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000436759769 297032172 /nfs/dbraw/zinc/03/21/72/297032172.db2.gz GCZFYXPGVJKHPD-UHFFFAOYSA-N -1 3 301.342 2.730 20 0 DFADHM NC(=O)c1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436748951 297031471 /nfs/dbraw/zinc/03/14/71/297031471.db2.gz WOPKAXRKZYFYDR-UHFFFAOYSA-N -1 3 310.353 2.622 20 0 DFADHM Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000436748282 297031515 /nfs/dbraw/zinc/03/15/15/297031515.db2.gz FGBAXPYYVPVICQ-CYBMUJFWSA-N -1 3 314.360 2.848 20 0 DFADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436723727 297028348 /nfs/dbraw/zinc/02/83/48/297028348.db2.gz QSJRCSHZHULDDR-QLJPJBMISA-N -1 3 319.332 2.743 20 0 DFADHM O=C(Nc1csc(-c2ccncc2)n1)c1c([O-])cccc1O ZINC000436727675 297028804 /nfs/dbraw/zinc/02/88/04/297028804.db2.gz BJMQXVVMSJBVSH-UHFFFAOYSA-N -1 3 313.338 2.869 20 0 DFADHM C[C@H]1CCC[C@@]1(O)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436728670 297028925 /nfs/dbraw/zinc/02/89/25/297028925.db2.gz NHPCDWITIIZWFW-KPZWWZAWSA-N -1 3 303.402 2.552 20 0 DFADHM CC(C)[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCN1C ZINC000436727700 297028948 /nfs/dbraw/zinc/02/89/48/297028948.db2.gz BPVLBNNEMLTHSK-KRWDZBQOSA-N -1 3 312.413 2.958 20 0 DFADHM COCCN(Cc1scnc1C)C(=O)c1ccc(C)cc1[O-] ZINC000436728582 297029014 /nfs/dbraw/zinc/02/90/14/297029014.db2.gz MDGGVBVVUQJABI-UHFFFAOYSA-N -1 3 320.414 2.754 20 0 DFADHM CN(C)c1cc(CNC(=O)c2ccccc2[O-])c2ccccc2n1 ZINC000436729668 297029473 /nfs/dbraw/zinc/02/94/73/297029473.db2.gz SONWACXBUQBGDC-UHFFFAOYSA-N -1 3 321.380 2.936 20 0 DFADHM COCCN(C(=O)c1cccc(OC)c1[O-])[C@H]1CCC[C@@H]1C ZINC000436730941 297029514 /nfs/dbraw/zinc/02/95/14/297029514.db2.gz IZUUPVFECZBBRB-JSGCOSHPSA-N -1 3 307.390 2.678 20 0 DFADHM COc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000436738384 297029808 /nfs/dbraw/zinc/02/98/08/297029808.db2.gz LKRBNULCNICOGB-AWEZNQCLSA-N -1 3 321.760 2.518 20 0 DFADHM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436739575 297029932 /nfs/dbraw/zinc/02/99/32/297029932.db2.gz OQTIBXMXJWPACY-HWPZZCPQSA-N -1 3 319.332 2.743 20 0 DFADHM Cn1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000436761610 297032585 /nfs/dbraw/zinc/03/25/85/297032585.db2.gz LZVWZZFWKSTQGE-UHFFFAOYSA-N -1 3 307.353 2.969 20 0 DFADHM CC(C)N1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000436775187 297033451 /nfs/dbraw/zinc/03/34/51/297033451.db2.gz DMMROECKQHTUPW-UHFFFAOYSA-N -1 3 314.788 2.741 20 0 DFADHM Cc1ccc(C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)c([O-])c1C ZINC000436787042 297034268 /nfs/dbraw/zinc/03/42/68/297034268.db2.gz MBESBJNHDMUSDK-AEFFLSMTSA-N -1 3 301.386 2.793 20 0 DFADHM CCc1cnccc1[C@@H](C)NC(=O)c1cc(OC)ccc1[O-] ZINC000436793773 297035069 /nfs/dbraw/zinc/03/50/69/297035069.db2.gz SORRQRWWPZVZGA-LLVKDONJSA-N -1 3 300.358 2.849 20 0 DFADHM Cc1ccc(C(=O)NCCCc2nc(C(C)C)no2)c([O-])c1 ZINC000436795168 297035095 /nfs/dbraw/zinc/03/50/95/297035095.db2.gz XYDFANYJKULGIL-UHFFFAOYSA-N -1 3 303.362 2.570 20 0 DFADHM CCOC(=O)C(CC)(CC)NC(=O)c1ccc([O-])c(CC)c1 ZINC000436811675 297036345 /nfs/dbraw/zinc/03/63/45/297036345.db2.gz BRLOTXFYQDLUKU-UHFFFAOYSA-N -1 3 307.390 2.806 20 0 DFADHM Cc1nn(C)c2nc(C)cc(C(=O)Nc3cc(F)ccc3[O-])c12 ZINC000436813532 297036466 /nfs/dbraw/zinc/03/64/66/297036466.db2.gz PEKXRQAUEAVBSM-UHFFFAOYSA-N -1 3 314.320 2.682 20 0 DFADHM CC(C)C(=O)Nc1cc(C(=O)Nc2ccc([O-])cc2F)ccn1 ZINC000436815223 297036735 /nfs/dbraw/zinc/03/67/35/297036735.db2.gz KADZNDCCMOTWPQ-UHFFFAOYSA-N -1 3 317.320 2.773 20 0 DFADHM CCc1ccc(C(=O)N(CCO)Cc2cccc(F)c2)c([O-])c1 ZINC000436817884 297037033 /nfs/dbraw/zinc/03/70/33/297037033.db2.gz JEWZFBIAOQOGDN-UHFFFAOYSA-N -1 3 317.360 2.728 20 0 DFADHM CCc1ccc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)c([O-])c1 ZINC000436830127 297037863 /nfs/dbraw/zinc/03/78/63/297037863.db2.gz NJFXWOCSAYXDBB-ROUUACIJSA-N -1 3 324.424 2.782 20 0 DFADHM Cc1nnc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1C ZINC000436832005 297038465 /nfs/dbraw/zinc/03/84/65/297038465.db2.gz QWGFAWHKMGPGNS-UHFFFAOYSA-N -1 3 322.368 2.672 20 0 DFADHM COc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436831707 297038603 /nfs/dbraw/zinc/03/86/03/297038603.db2.gz YLQXSYLYCCSCAQ-KWQFWETISA-N -1 3 303.280 2.814 20 0 DFADHM C/C=C\C[C@H](NC(=O)c1ccc(CC)cc1[O-])C(=O)OCC ZINC000436837306 297038754 /nfs/dbraw/zinc/03/87/54/297038754.db2.gz FQUMUXPHKIYSRV-ZBKLQPJUSA-N -1 3 305.374 2.582 20 0 DFADHM CCc1ccc(C(=O)N[C@H](CCOC)Cc2ccco2)c([O-])c1 ZINC000436838428 297039000 /nfs/dbraw/zinc/03/90/00/297039000.db2.gz KNWKTUSSDBIBLZ-CQSZACIVSA-N -1 3 317.385 2.925 20 0 DFADHM C[C@@]1(NC(=O)c2cc3c(cc2[O-])CCCC3)CCO[C@H]1C1CC1 ZINC000436841237 297039430 /nfs/dbraw/zinc/03/94/30/297039430.db2.gz TWIQILMFACFEFV-PKOBYXMFSA-N -1 3 315.413 2.958 20 0 DFADHM Cc1nnsc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000436856378 297040024 /nfs/dbraw/zinc/04/00/24/297040024.db2.gz XPLRUJSVJQTAJQ-UHFFFAOYSA-N -1 3 303.265 2.823 20 0 DFADHM COc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1OC ZINC000436863645 297040933 /nfs/dbraw/zinc/04/09/33/297040933.db2.gz KWEVWQPOUWGOCX-UHFFFAOYSA-N -1 3 315.325 2.864 20 0 DFADHM Cn1cnc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436866422 297041022 /nfs/dbraw/zinc/04/10/22/297041022.db2.gz XNMFTTHQHPWJDM-UHFFFAOYSA-N -1 3 322.368 2.558 20 0 DFADHM [O-]c1ccc(-c2noc(-c3ccccc3N3CCOCC3)n2)cc1 ZINC000436868497 297041188 /nfs/dbraw/zinc/04/11/88/297041188.db2.gz HPICPNBKKDFZJA-UHFFFAOYSA-N -1 3 323.352 2.946 20 0 DFADHM O=C(N[C@H]1Cc2cccc(O)c2C1)c1ccc2c(c1[O-])CCCC2 ZINC000436878259 297041557 /nfs/dbraw/zinc/04/15/57/297041557.db2.gz FADXSBGDCMQFSZ-AWEZNQCLSA-N -1 3 323.392 2.874 20 0 DFADHM [O-]c1ccc(-c2noc(CCc3ccc4c(c3)OCCO4)n2)cc1 ZINC000436891725 297042566 /nfs/dbraw/zinc/04/25/66/297042566.db2.gz HBFGPCRHGDENLT-UHFFFAOYSA-N -1 3 324.336 2.999 20 0 DFADHM CCc1ccc(C(=O)NCCOc2cncc(Cl)c2)c([O-])c1 ZINC000436896377 297043083 /nfs/dbraw/zinc/04/30/83/297043083.db2.gz SPCBMTANNSHQJD-UHFFFAOYSA-N -1 3 320.776 2.812 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2)c1[O-] ZINC000436899927 297043095 /nfs/dbraw/zinc/04/30/95/297043095.db2.gz LSWLFNRQEJINNH-AWEZNQCLSA-N -1 3 305.761 2.817 20 0 DFADHM CCc1nc([C@H](C)NC(=O)c2cc3ccccc3cc2[O-])n[nH]1 ZINC000436910623 297043995 /nfs/dbraw/zinc/04/39/95/297043995.db2.gz QKBJBDXYTCKWDE-JTQLQIEISA-N -1 3 310.357 2.717 20 0 DFADHM COc1ccc(C(=O)NC(C)(C)c2ccc(C)nc2)c([O-])c1 ZINC000436920261 297044888 /nfs/dbraw/zinc/04/48/88/297044888.db2.gz ORMDQAVVFSBKSD-UHFFFAOYSA-N -1 3 300.358 2.769 20 0 DFADHM COC(=O)[C@H](C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436929434 297045236 /nfs/dbraw/zinc/04/52/36/297045236.db2.gz VLWYNHHETVRCCN-NSHDSACASA-N -1 3 307.390 2.930 20 0 DFADHM Cc1cccc(C(=O)NC[C@@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000436927899 297045445 /nfs/dbraw/zinc/04/54/45/297045445.db2.gz AIWNGTPCOYLNPJ-VQIMIIECSA-N -1 3 311.381 2.597 20 0 DFADHM [O-]c1ccccc1-c1nc(Cc2n[nH]c(-c3ccccc3)n2)no1 ZINC000436926529 297045587 /nfs/dbraw/zinc/04/55/87/297045587.db2.gz JXNAQIKRWUHGAS-UHFFFAOYSA-N -1 3 319.324 2.818 20 0 DFADHM [O-]c1ccccc1-c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000436926529 297045589 /nfs/dbraw/zinc/04/55/89/297045589.db2.gz JXNAQIKRWUHGAS-UHFFFAOYSA-N -1 3 319.324 2.818 20 0 DFADHM COc1ccc(NC(=O)c2ccc([O-])c(C)c2)c(OC)c1OC ZINC000436928637 297045611 /nfs/dbraw/zinc/04/56/11/297045611.db2.gz RWRVBGFIOXUCIY-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM Cc1cc(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)ccc1[O-] ZINC000436924820 297045624 /nfs/dbraw/zinc/04/56/24/297045624.db2.gz IJWQHOCVLZDJKT-UHFFFAOYSA-N -1 3 312.369 2.963 20 0 DFADHM Cc1cc(CN(C)C)cc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436975297 297049570 /nfs/dbraw/zinc/04/95/70/297049570.db2.gz JGNLHIVCGIQZHQ-UHFFFAOYSA-N -1 3 312.369 2.584 20 0 DFADHM Cc1cc(C(=O)NC[C@@H](C)N2CCc3ccccc32)ccc1[O-] ZINC000436931795 297046044 /nfs/dbraw/zinc/04/60/44/297046044.db2.gz KRVWVJOAQLEZMG-CQSZACIVSA-N -1 3 310.397 2.882 20 0 DFADHM Cc1cc(C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)ccc1[O-] ZINC000436935879 297046245 /nfs/dbraw/zinc/04/62/45/297046245.db2.gz DLJVJTATHCBURH-ZDUSSCGKSA-N -1 3 314.389 2.680 20 0 DFADHM Cc1cc(-c2noc(-c3ccccc3[O-])n2)ccc1-n1cncn1 ZINC000436938591 297046445 /nfs/dbraw/zinc/04/64/45/297046445.db2.gz JXXLGBYQYRYGLI-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM C[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436964715 297048070 /nfs/dbraw/zinc/04/80/70/297048070.db2.gz SBUAFQKCEIYBIQ-GXTWGEPZSA-N -1 3 303.402 2.958 20 0 DFADHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436964711 297048121 /nfs/dbraw/zinc/04/81/21/297048121.db2.gz QIRVQLUUGMHOAD-JSGCOSHPSA-N -1 3 303.402 2.911 20 0 DFADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1cc[nH]c(=O)c1 ZINC000436971230 297048987 /nfs/dbraw/zinc/04/89/87/297048987.db2.gz IYLUZOWTUWXWIF-LLVKDONJSA-N -1 3 312.369 2.863 20 0 DFADHM CC(C)[C@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCO1 ZINC000436987747 297050035 /nfs/dbraw/zinc/05/00/35/297050035.db2.gz JPBSPNXBWGAFMP-MRXNPFEDSA-N -1 3 303.402 2.768 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2cn(C)nc2C)c([O-])c1 ZINC000436987899 297050057 /nfs/dbraw/zinc/05/00/57/297050057.db2.gz NJYZIHMONMEPFZ-UHFFFAOYSA-N -1 3 317.389 2.543 20 0 DFADHM Cc1ccc(C(=O)NCc2ncnn2-c2ccccc2)c([O-])c1C ZINC000436985697 297050218 /nfs/dbraw/zinc/05/02/18/297050218.db2.gz FPAMJFZSJKOKDJ-UHFFFAOYSA-N -1 3 322.368 2.520 20 0 DFADHM CCCCOc1ccc(C(=O)NCC(O)(CC)CC)c([O-])c1 ZINC000436987034 297050341 /nfs/dbraw/zinc/05/03/41/297050341.db2.gz LAWBNRZPHCKQFS-UHFFFAOYSA-N -1 3 309.406 2.852 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000436990599 297050758 /nfs/dbraw/zinc/05/07/58/297050758.db2.gz RANXHXFESACRNG-BBRMVZONSA-N -1 3 321.417 2.852 20 0 DFADHM C/C=C\C[C@H](CO)NC(=O)c1ccc(OCCCC)cc1[O-] ZINC000436990336 297050840 /nfs/dbraw/zinc/05/08/40/297050840.db2.gz OVXGDZGVRNGBIY-HSBHDXMMSA-N -1 3 307.390 2.628 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@]2(C)CCOC2)c([O-])c1 ZINC000436992538 297051374 /nfs/dbraw/zinc/05/13/74/297051374.db2.gz WYIJOSIJAPZYFP-QGZVFWFLSA-N -1 3 307.390 2.728 20 0 DFADHM COCCS(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1 ZINC000154290536 295296889 /nfs/dbraw/zinc/29/68/89/295296889.db2.gz ACESBXRWIVETNH-UHFFFAOYSA-N -1 3 307.371 2.867 20 0 DFADHM Cc1cccc(C(=O)NCc2cccc3c2OCCCO3)c1[O-] ZINC000155303989 295316595 /nfs/dbraw/zinc/31/65/95/295316595.db2.gz WBDKUNDGTGVKFP-UHFFFAOYSA-N -1 3 313.353 2.792 20 0 DFADHM O=C(c1cccc(-n2cccn2)n1)N1CCCc2cccc([O-])c21 ZINC000155655619 295322714 /nfs/dbraw/zinc/32/27/14/295322714.db2.gz OZRMAMOJEFEPFI-UHFFFAOYSA-N -1 3 320.352 2.566 20 0 DFADHM O=C(/C=C/c1ccc2c(c1)CCO2)NCc1ccc([O-])c(F)c1 ZINC000156300117 295334160 /nfs/dbraw/zinc/33/41/60/295334160.db2.gz RRKHCGMAPGGQMR-ZZXKWVIFSA-N -1 3 313.328 2.796 20 0 DFADHM CCOc1ccccc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000157426646 295348302 /nfs/dbraw/zinc/34/83/02/295348302.db2.gz UUWZVQASZJZDAT-UHFFFAOYSA-N -1 3 318.348 2.929 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)cc(OC)c1[O-] ZINC000157606455 295350745 /nfs/dbraw/zinc/35/07/45/295350745.db2.gz CCFSKFPRCZDSQJ-DMDPSCGWSA-N -1 3 307.390 2.964 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H]1CCCO1 ZINC000157748951 295352744 /nfs/dbraw/zinc/35/27/44/295352744.db2.gz ZECFTQMHAVZSRE-MNOVXSKESA-N -1 3 321.801 2.715 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H]1CCCO1 ZINC000157749096 295352934 /nfs/dbraw/zinc/35/29/34/295352934.db2.gz ZECFTQMHAVZSRE-WDEREUQCSA-N -1 3 321.801 2.715 20 0 DFADHM COc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1Cl ZINC000158654409 295365752 /nfs/dbraw/zinc/36/57/52/295365752.db2.gz AJIULYNZNRUPRF-UHFFFAOYSA-N -1 3 320.658 2.738 20 0 DFADHM COc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1Cl ZINC000158654409 295365754 /nfs/dbraw/zinc/36/57/54/295365754.db2.gz AJIULYNZNRUPRF-UHFFFAOYSA-N -1 3 320.658 2.738 20 0 DFADHM CCOCCC1(CNC(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000162580833 295415056 /nfs/dbraw/zinc/41/50/56/295415056.db2.gz NPHIHJQNLBVWFZ-UHFFFAOYSA-N -1 3 311.809 2.911 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC(F)(c2ccccc2)C1 ZINC000376247041 295475740 /nfs/dbraw/zinc/47/57/40/295475740.db2.gz JOEKJJDQOYKKDG-UHFFFAOYSA-N -1 3 322.339 2.849 20 0 DFADHM C[C@@H](NCc1cc([O-])ccc1Br)c1csnn1 ZINC000398400044 295490430 /nfs/dbraw/zinc/49/04/30/295490430.db2.gz WCTNJUHCBUQGJW-SSDOTTSWSA-N -1 3 314.208 2.857 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1[O-] ZINC000411894191 295566880 /nfs/dbraw/zinc/56/68/80/295566880.db2.gz PSWUFJZNZQKUKT-MRXNPFEDSA-N -1 3 324.380 2.921 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1[O-] ZINC000412051497 295582601 /nfs/dbraw/zinc/58/26/01/295582601.db2.gz CHRIZNNRASDCBJ-STQMWFEESA-N -1 3 318.417 2.588 20 0 DFADHM CCc1nc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)cs1 ZINC000412052680 295583123 /nfs/dbraw/zinc/58/31/23/295583123.db2.gz GKNMAJRJEABKQK-UHFFFAOYSA-N -1 3 304.371 2.544 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1[O-] ZINC000412198067 295599811 /nfs/dbraw/zinc/59/98/11/295599811.db2.gz FSGDBMWFGXGDOE-SCTDSRPQSA-N -1 3 321.376 2.911 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1[O-] ZINC000412202743 295600206 /nfs/dbraw/zinc/60/02/06/295600206.db2.gz TWXQRMDKPCNTGL-CJNGLKHVSA-N -1 3 319.401 2.656 20 0 DFADHM COCC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(C)(C)C ZINC000412334178 295613358 /nfs/dbraw/zinc/61/33/58/295613358.db2.gz ZHVWZDRFJTWOOA-OAHLLOKOSA-N -1 3 307.390 2.776 20 0 DFADHM CCC[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)C1CCC1 ZINC000412430512 295622004 /nfs/dbraw/zinc/62/20/04/295622004.db2.gz YKUPRDZXXGKROH-HNNXBMFYSA-N -1 3 305.422 2.817 20 0 DFADHM C[C@@H]1C[C@@H](CNC(=O)c2ccc3c(c2[O-])CCCC3)[C@H](C)O1 ZINC000412649935 295641925 /nfs/dbraw/zinc/64/19/25/295641925.db2.gz KCUXBSZANMXZEH-DYEKYZERSA-N -1 3 303.402 2.814 20 0 DFADHM C[C@@H]1C[C@@H](CNC(=O)c2ccc3c(c2[O-])CCCC3)[C@@H](C)O1 ZINC000412649932 295641935 /nfs/dbraw/zinc/64/19/35/295641935.db2.gz KCUXBSZANMXZEH-BZPMIXESSA-N -1 3 303.402 2.814 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@H](C)CC(F)(F)F)cc1[O-] ZINC000412668828 295643979 /nfs/dbraw/zinc/64/39/79/295643979.db2.gz FNZPWQLDCOZLSA-MRVPVSSYSA-N -1 3 303.280 2.913 20 0 DFADHM COc1cc(C(=O)NC[C@H](C)CC(F)(F)F)cc(OC)c1[O-] ZINC000412675967 295644736 /nfs/dbraw/zinc/64/47/36/295644736.db2.gz LVNHPQGXDGTCAW-MRVPVSSYSA-N -1 3 321.295 2.728 20 0 DFADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@H](O)C(C)C ZINC000412717423 295650328 /nfs/dbraw/zinc/65/03/28/295650328.db2.gz LORPTQMTAQPJCL-WMLDXEAASA-N -1 3 311.397 2.766 20 0 DFADHM CC[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)[C@@H](O)C(C)C ZINC000412720380 295650720 /nfs/dbraw/zinc/65/07/20/295650720.db2.gz OIJDLFFNJLXMIM-STQMWFEESA-N -1 3 319.323 2.936 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CCCCC(C)(C)C2)c(=O)[n-]1 ZINC000438399372 297091949 /nfs/dbraw/zinc/09/19/49/297091949.db2.gz NYFKVMDWHYBLNG-UHFFFAOYSA-N -1 3 305.422 2.770 20 0 DFADHM COc1cc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)ccc1O ZINC000438560473 297098628 /nfs/dbraw/zinc/09/86/28/297098628.db2.gz GQAUANMHAQNDRV-UHFFFAOYSA-N -1 3 324.336 2.803 20 0 DFADHM CCOCc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000438720302 297102796 /nfs/dbraw/zinc/10/27/96/297102796.db2.gz XIFIJSRUHHWSKF-OAHLLOKOSA-N -1 3 313.419 2.534 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(C(=O)NC2CC2)c1 ZINC000439759552 297137498 /nfs/dbraw/zinc/13/74/98/297137498.db2.gz UUXXKYIPXPGCPF-UHFFFAOYSA-N -1 3 314.316 2.676 20 0 DFADHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1(C)C ZINC000440406390 297151796 /nfs/dbraw/zinc/15/17/96/297151796.db2.gz XJVGAPGVYODAQI-NEPJUHHUSA-N -1 3 321.801 2.571 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2c(n1)CCCC2 ZINC000442573168 297196803 /nfs/dbraw/zinc/19/68/03/297196803.db2.gz MEJXLLFOULTADJ-UHFFFAOYSA-N -1 3 300.333 2.735 20 0 DFADHM COc1cccc(C[C@H](C)NC(=O)c2ccc([O-])c(OC)c2)c1 ZINC000442650314 297199031 /nfs/dbraw/zinc/19/90/31/297199031.db2.gz OUTVBTVLPRZFBK-LBPRGKRZSA-N -1 3 315.369 2.770 20 0 DFADHM COc1cc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)ccc1[O-] ZINC000442670977 297200257 /nfs/dbraw/zinc/20/02/57/297200257.db2.gz KSTDHVXJAWTGCJ-LBPRGKRZSA-N -1 3 315.369 2.810 20 0 DFADHM CC1(C)CN(C(=O)c2c([O-])cccc2O)CC2(CCCC2)O1 ZINC000442713470 297202601 /nfs/dbraw/zinc/20/26/01/297202601.db2.gz IETJKHCPWLEJFV-UHFFFAOYSA-N -1 3 305.374 2.662 20 0 DFADHM C[C@](O)(CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C1CC1 ZINC000442792562 297206413 /nfs/dbraw/zinc/20/64/13/297206413.db2.gz MRQAZSZWMPVVAV-ZDUSSCGKSA-N -1 3 319.279 2.780 20 0 DFADHM COCC[C@H]1CCCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000442804388 297207409 /nfs/dbraw/zinc/20/74/09/297207409.db2.gz ZHQPANWCMRWVAO-CYBMUJFWSA-N -1 3 307.390 2.680 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)c([O-])c1C ZINC000443185180 297217399 /nfs/dbraw/zinc/21/73/99/297217399.db2.gz XHUBTQBVDDJYHJ-UHFFFAOYSA-N -1 3 311.341 2.854 20 0 DFADHM COc1cc(C(=O)N[C@@H](C)COc2cccc(C)c2)ccc1[O-] ZINC000443311837 297219364 /nfs/dbraw/zinc/21/93/64/297219364.db2.gz MOQYAEFOXAOLAK-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000443346815 297220119 /nfs/dbraw/zinc/22/01/19/297220119.db2.gz WOAMDEVXKOREOT-GXSJLCMTSA-N -1 3 323.817 2.555 20 0 DFADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444058511 297229673 /nfs/dbraw/zinc/22/96/73/297229673.db2.gz OGAGHTPVOWENLG-JGVFFNPUSA-N -1 3 311.300 2.779 20 0 DFADHM COc1cc(NC(=O)c2c(C)[n-]c(=O)nc2SC)ccc1F ZINC000444461521 297236927 /nfs/dbraw/zinc/23/69/27/297236927.db2.gz AFWDVMQYEKLNPB-UHFFFAOYSA-N -1 3 323.349 2.613 20 0 DFADHM CCO[C@@H](C[N-]S(=O)(=O)c1ccc(C)o1)c1ccccc1 ZINC000444988700 297257401 /nfs/dbraw/zinc/25/74/01/297257401.db2.gz OORJPBCINCCVDN-AWEZNQCLSA-N -1 3 309.387 2.644 20 0 DFADHM COc1cccc(Cc2noc(/C=C\c3cncc([O-])c3)n2)c1 ZINC000445210472 297260355 /nfs/dbraw/zinc/26/03/55/297260355.db2.gz OWIBWLSEPVCSRV-WAYWQWQTSA-N -1 3 309.325 2.940 20 0 DFADHM Cn1ncc2ccc(-c3noc(/C=C\c4cncc([O-])c4)n3)cc21 ZINC000445220243 297260674 /nfs/dbraw/zinc/26/06/74/297260674.db2.gz LPILNLOUVZCADM-DJWKRKHSSA-N -1 3 319.324 2.894 20 0 DFADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccco3)o2)cs1 ZINC000445664990 297264701 /nfs/dbraw/zinc/26/47/01/297264701.db2.gz NYFVLHUPMXROMB-UHFFFAOYSA-N -1 3 324.383 2.783 20 0 DFADHM O=S(=O)([N-]C[C@@H]1SCCc2ccccc21)c1ccco1 ZINC000445712901 297265620 /nfs/dbraw/zinc/26/56/20/297265620.db2.gz XLEDQEUCMOXSHC-ZDUSSCGKSA-N -1 3 309.412 2.589 20 0 DFADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccccc1F)OC ZINC000446929028 297290426 /nfs/dbraw/zinc/29/04/26/297290426.db2.gz OPSHPNMVTZGXEB-AWEZNQCLSA-N -1 3 317.426 2.945 20 0 DFADHM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(F)cc1[O-] ZINC000447070206 297294334 /nfs/dbraw/zinc/29/43/34/297294334.db2.gz RQGXWHMIGFUCBP-UHFFFAOYSA-N -1 3 305.353 2.824 20 0 DFADHM CC(C)(C)C1CCC(O)(CNC(=O)c2c([O-])cccc2O)CC1 ZINC000447551128 297307845 /nfs/dbraw/zinc/30/78/45/297307845.db2.gz QTRHQWIEZODNQF-UHFFFAOYSA-N -1 3 321.417 2.795 20 0 DFADHM Cc1ccc([C@]2(C)CCN(C(=O)c3cc(C)nc(=O)[n-]3)C2)cc1 ZINC000447694105 297313291 /nfs/dbraw/zinc/31/32/91/297313291.db2.gz GOJMNVBNCDKDAH-GOSISDBHSA-N -1 3 311.385 2.603 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cc(C(C)(C)C)n[nH]2)n1 ZINC000447880892 297322993 /nfs/dbraw/zinc/32/29/93/297322993.db2.gz WUKAFVGQJGXRIT-NSHDSACASA-N -1 3 303.410 2.704 20 0 DFADHM COc1ccc(C)cc1CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448598078 297347412 /nfs/dbraw/zinc/34/74/12/297347412.db2.gz NKIGECKCYKJENW-UHFFFAOYSA-N -1 3 317.360 2.750 20 0 DFADHM CC(C)Cn1cc(C(=O)[N-]c2nncs2)c(C(F)F)n1 ZINC000448738744 297362442 /nfs/dbraw/zinc/36/24/42/297362442.db2.gz PZEYPHIMCKTDAO-UHFFFAOYSA-N -1 3 301.322 2.581 20 0 DFADHM Cc1cccc(CCN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000449015101 297390802 /nfs/dbraw/zinc/39/08/02/297390802.db2.gz RTEJHISBHRXEQY-UHFFFAOYSA-N -1 3 324.424 2.701 20 0 DFADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1nc(C(C)(C)C)no1 ZINC000449995924 297572769 /nfs/dbraw/zinc/57/27/69/297572769.db2.gz NTTKRSCZHQMSOV-SECBINFHSA-N -1 3 321.352 2.632 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000450029030 297578344 /nfs/dbraw/zinc/57/83/44/297578344.db2.gz QHFWBAXEVRWWFM-QAPCUYQASA-N -1 3 315.344 2.720 20 0 DFADHM COCCC1(CNC(=O)Cc2ccc([O-])c(F)c2)CCCC1 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/nfs/dbraw/zinc/02/57/38/301025738.db2.gz KVPHQPKCXIJPTC-UHFFFAOYSA-N -1 3 320.776 2.827 20 0 DFADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000530263218 301036383 /nfs/dbraw/zinc/03/63/83/301036383.db2.gz NCYUSWZXQDFINL-BSTOTGJRSA-N -1 3 318.352 2.609 20 0 DFADHM COC(=O)c1cc(NC(=O)c2cccc3nn[n-]c32)c(C)cc1C ZINC000530415310 301046937 /nfs/dbraw/zinc/04/69/37/301046937.db2.gz AJFPXZMTXMWKGR-UHFFFAOYSA-N -1 3 324.340 2.614 20 0 DFADHM COC(=O)c1cc(NC(=O)c2cccc3[n-]nnc32)c(C)cc1C ZINC000530415310 301046939 /nfs/dbraw/zinc/04/69/39/301046939.db2.gz AJFPXZMTXMWKGR-UHFFFAOYSA-N -1 3 324.340 2.614 20 0 DFADHM COC(=O)c1cc(NC(=O)c2cccc3n[n-]nc32)c(C)cc1C ZINC000530415310 301046941 /nfs/dbraw/zinc/04/69/41/301046941.db2.gz AJFPXZMTXMWKGR-UHFFFAOYSA-N -1 3 324.340 2.614 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2cc(C)on2)c([O-])c1 ZINC000530512319 301052882 /nfs/dbraw/zinc/05/28/82/301052882.db2.gz KKGVFESQTNYZKW-UHFFFAOYSA-N -1 3 304.346 2.798 20 0 DFADHM CCc1cccc(C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1[O-] ZINC000530719609 301064635 /nfs/dbraw/zinc/06/46/35/301064635.db2.gz MMTQMWXAPJDMEZ-BMFZPTHFSA-N -1 3 303.402 2.888 20 0 DFADHM CCc1cccc(C(=O)NCc2cc(OC)ccc2OC)c1[O-] ZINC000531355741 301089711 /nfs/dbraw/zinc/08/97/11/301089711.db2.gz SENSWRMSZXLUOK-UHFFFAOYSA-N -1 3 315.369 2.902 20 0 DFADHM CCC1(CC)CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000531523508 301095267 /nfs/dbraw/zinc/09/52/67/301095267.db2.gz JVODMDXJLLPSJG-UHFFFAOYSA-N -1 3 315.373 2.614 20 0 DFADHM CCC(CC)CC(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000531581591 301097526 /nfs/dbraw/zinc/09/75/26/301097526.db2.gz ZGVQRCBTVNHQCW-KRWDZBQOSA-N -1 3 317.389 2.506 20 0 DFADHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000532333311 301145914 /nfs/dbraw/zinc/14/59/14/301145914.db2.gz GDENBNZECUZJLE-YVEFUNNKSA-N -1 3 310.397 2.758 20 0 DFADHM C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cnn(C)c1 ZINC000532382277 301148952 /nfs/dbraw/zinc/14/89/52/301148952.db2.gz IOGJJYGLPVLRHH-QMMMGPOBSA-N -1 3 313.279 2.887 20 0 DFADHM COCC1([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000532672766 301166944 /nfs/dbraw/zinc/16/69/44/301166944.db2.gz OUHQDFKZPJYDEG-UHFFFAOYSA-N -1 3 303.449 2.503 20 0 DFADHM COc1cc(C(=O)Nc2cccc([O-])c2F)cc(OC)c1OC ZINC000534210396 301220834 /nfs/dbraw/zinc/22/08/34/301220834.db2.gz LVZSXKREIKFTHZ-UHFFFAOYSA-N -1 3 321.304 2.809 20 0 DFADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000534209417 301220939 /nfs/dbraw/zinc/22/09/39/301220939.db2.gz UHILLBMPQMVTKG-NSHDSACASA-N -1 3 320.364 2.651 20 0 DFADHM CCc1cccc(C(=O)N[C@H](CO)c2cccc(F)c2)c1[O-] ZINC000536209826 301269781 /nfs/dbraw/zinc/26/97/81/301269781.db2.gz MHDIPHNTBJSJAS-OAHLLOKOSA-N -1 3 303.333 2.557 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](c1cccnc1)C1CC1 ZINC000536224855 301270169 /nfs/dbraw/zinc/27/01/69/301270169.db2.gz HAONFIBLZAFTAG-MRXNPFEDSA-N -1 3 315.348 2.877 20 0 DFADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@H](C)O)c1 ZINC000536685234 301288200 /nfs/dbraw/zinc/28/82/00/301288200.db2.gz IIZGFBUZUGCKQZ-AWEZNQCLSA-N -1 3 313.397 2.978 20 0 DFADHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@]2(C)CCCOC2)s1 ZINC000536764343 301289608 /nfs/dbraw/zinc/28/96/08/301289608.db2.gz YQILQDURGKLHHO-CQSZACIVSA-N -1 3 317.476 2.893 20 0 DFADHM CCc1cccc(C(=O)N2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000537673837 301308189 /nfs/dbraw/zinc/30/81/89/301308189.db2.gz GTYXQBDKGCJOGY-HNNXBMFYSA-N -1 3 313.401 2.764 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]c2c[nH]c(=O)c(C)c2)c1Cl ZINC000539399776 301341758 /nfs/dbraw/zinc/34/17/58/301341758.db2.gz AEZDUVRFVKISTD-UHFFFAOYSA-N -1 3 312.778 2.858 20 0 DFADHM CCc1cccc(C(=O)Nc2cnn(-c3ccccn3)c2)c1[O-] ZINC000539858116 301352410 /nfs/dbraw/zinc/35/24/10/301352410.db2.gz ADBAYDDNCMDLRW-UHFFFAOYSA-N -1 3 308.341 2.788 20 0 DFADHM CCc1cccc(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000545954033 301484386 /nfs/dbraw/zinc/48/43/86/301484386.db2.gz YLTVBJJGKPZHKC-WMZOPIPTSA-N -1 3 303.402 2.890 20 0 DFADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccncc1 ZINC000356958460 301541155 /nfs/dbraw/zinc/54/11/55/301541155.db2.gz YEKMVFNFJSMSNG-UHFFFAOYSA-N -1 3 316.304 2.632 20 0 DFADHM Cc1ccc([O-])c(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000298239303 301650430 /nfs/dbraw/zinc/65/04/30/301650430.db2.gz UGALAGJERVWCOI-UHFFFAOYSA-N -1 3 324.380 2.604 20 0 DFADHM CC[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])C(=O)OC(C)(C)C ZINC000552157585 301683904 /nfs/dbraw/zinc/68/39/04/301683904.db2.gz UVEYIRCIOCPJRG-CYBMUJFWSA-N -1 3 307.390 2.859 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@H](c2ccncc2)C1 ZINC000552401870 301691776 /nfs/dbraw/zinc/69/17/76/301691776.db2.gz JOTZPXJOLKKLBU-CQSZACIVSA-N -1 3 316.788 2.999 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000552421754 301691934 /nfs/dbraw/zinc/69/19/34/301691934.db2.gz LGRCJCHAGFPWBY-UHFFFAOYSA-N -1 3 323.352 2.533 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@@H](c2ccccc2)C1 ZINC000553070910 301703076 /nfs/dbraw/zinc/70/30/76/301703076.db2.gz DBKOPAYHXHUBRN-CQSZACIVSA-N -1 3 309.369 2.689 20 0 DFADHM CCOC1CC(C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000554501191 301739386 /nfs/dbraw/zinc/73/93/86/301739386.db2.gz PJUVJJUZFMFMGM-UHFFFAOYSA-N -1 3 314.179 2.908 20 0 DFADHM CC(=O)N[C@H](CC(=O)Nc1cccc([O-])c1F)c1cccs1 ZINC000556554246 301798713 /nfs/dbraw/zinc/79/87/13/301798713.db2.gz GGPUQEPXKHUPSY-LLVKDONJSA-N -1 3 322.361 2.799 20 0 DFADHM O=C(CN1CCCCCCC1=O)Nc1c([O-])cccc1Cl ZINC000557182093 301828286 /nfs/dbraw/zinc/82/82/86/301828286.db2.gz JPSDCKDDPIRPFF-UHFFFAOYSA-N -1 3 310.781 2.777 20 0 DFADHM Cc1ccc([C@H]2COCCN2C(=O)c2ccc(C)cc2[O-])o1 ZINC000116705752 301831162 /nfs/dbraw/zinc/83/11/62/301831162.db2.gz YULRNLKGBZUASB-CQSZACIVSA-N -1 3 301.342 2.816 20 0 DFADHM O=C(Cc1cncc([O-])c1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000557626085 301836173 /nfs/dbraw/zinc/83/61/73/301836173.db2.gz RTWZGMMCNPBSDM-WMZOPIPTSA-N -1 3 310.397 2.857 20 0 DFADHM COC(=O)[C@H](NCc1ccc([O-])c2nc(C)ccc12)C(C)C ZINC000558721957 301858413 /nfs/dbraw/zinc/85/84/13/301858413.db2.gz RTNKMNYHBNOAQP-OAHLLOKOSA-N -1 3 302.374 2.536 20 0 DFADHM Cc1ccccc1[C@@H](CO)NC(=O)c1cc([O-])ccc1Cl ZINC000560351778 301890979 /nfs/dbraw/zinc/89/09/79/301890979.db2.gz BNEMHHLUMMLJDZ-OAHLLOKOSA-N -1 3 305.761 2.817 20 0 DFADHM CC1=C(C(=O)N2CCc3c(nc[n-]c3=O)C2)CCC(C)(C)C1 ZINC000562692888 301990729 /nfs/dbraw/zinc/99/07/29/301990729.db2.gz XMDVYWUTQOYJIU-UHFFFAOYSA-N -1 3 301.390 2.594 20 0 DFADHM CC(F)(F)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000562864410 302009083 /nfs/dbraw/zinc/00/90/83/302009083.db2.gz QWEDYYGSUCKKIR-UHFFFAOYSA-N -1 3 323.137 2.609 20 0 DFADHM Cn1nnc2ccc(C(=O)Nc3c([O-])cccc3Cl)cc21 ZINC000562859770 302009209 /nfs/dbraw/zinc/00/92/09/302009209.db2.gz QJNFEOFSYRDNDC-UHFFFAOYSA-N -1 3 302.721 2.580 20 0 DFADHM Cc1cccc(C(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)c1[O-] ZINC000562940391 302015231 /nfs/dbraw/zinc/01/52/31/302015231.db2.gz WFQHPSBBKAZWDY-HOCLYGCPSA-N -1 3 312.369 2.746 20 0 DFADHM Cc1cccc(C(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)c1[O-] ZINC000562940390 302015466 /nfs/dbraw/zinc/01/54/66/302015466.db2.gz 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C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc(F)cc3[n-]nnc32)o1 ZINC000579497601 318335591 /nfs/dbraw/zinc/33/55/91/318335591.db2.gz CGHVWFWQIRPYTJ-GZMMTYOYSA-N -1 3 314.320 2.743 20 0 DFADHM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc(F)cc3n[n-]nc32)o1 ZINC000579497601 318335595 /nfs/dbraw/zinc/33/55/95/318335595.db2.gz CGHVWFWQIRPYTJ-GZMMTYOYSA-N -1 3 314.320 2.743 20 0 DFADHM CC(C)c1nnc(SCc2cc(=O)[n-]c(C3CC3)n2)n1C ZINC000579685461 318347355 /nfs/dbraw/zinc/34/73/55/318347355.db2.gz XGPWKZKFMFVPBQ-UHFFFAOYSA-N -1 3 305.407 2.604 20 0 DFADHM O=c1[n-]nc(SC[C@@H]2CCC(F)(F)C2)n1C[C@H]1CCCO1 ZINC000579864121 318359780 /nfs/dbraw/zinc/35/97/80/318359780.db2.gz OUOOPJGBXXBKAO-NXEZZACHSA-N -1 3 319.377 2.690 20 0 DFADHM CC(C)Oc1ccccc1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000580083796 318374609 /nfs/dbraw/zinc/37/46/09/318374609.db2.gz GFCUCDMGCBNOGP-MRXNPFEDSA-N -1 3 321.417 2.930 20 0 DFADHM Cn1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCC2)n1 ZINC000580189049 318381928 /nfs/dbraw/zinc/38/19/28/318381928.db2.gz 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Cc1ccc(C[C@H]2CCCN2c2ncccc2-c2nn[n-]n2)cc1 ZINC000737334530 598830292 /nfs/dbraw/zinc/83/02/92/598830292.db2.gz HXCSZYXUQVVSNR-OAHLLOKOSA-N -1 3 320.400 2.782 20 0 DFADHM CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824802306 607785590 /nfs/dbraw/zinc/78/55/90/607785590.db2.gz LSSSAJUVEWLJTD-LBPRGKRZSA-N -1 3 314.393 2.807 20 0 DFADHM CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824802306 607785591 /nfs/dbraw/zinc/78/55/91/607785591.db2.gz LSSSAJUVEWLJTD-LBPRGKRZSA-N -1 3 314.393 2.807 20 0 DFADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000736103074 598865200 /nfs/dbraw/zinc/86/52/00/598865200.db2.gz VYOUIBCSLCMKFQ-NLYDNYMLSA-N -1 3 311.389 2.575 20 0 DFADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000736103074 598865201 /nfs/dbraw/zinc/86/52/01/598865201.db2.gz VYOUIBCSLCMKFQ-NLYDNYMLSA-N -1 3 311.389 2.575 20 0 DFADHM CC(C)(CO)CCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819984382 599570025 /nfs/dbraw/zinc/57/00/25/599570025.db2.gz UHQWXWSHNCPBPT-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CC(C)(CO)CCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819984382 599570028 /nfs/dbraw/zinc/57/00/28/599570028.db2.gz UHQWXWSHNCPBPT-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CSCCCCC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737181993 598902300 /nfs/dbraw/zinc/90/23/00/598902300.db2.gz MZBHXBNMTKMYBZ-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM CSCCCCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737181993 598902301 /nfs/dbraw/zinc/90/23/01/598902301.db2.gz MZBHXBNMTKMYBZ-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM CC(C)(C)CCCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735603034 598904608 /nfs/dbraw/zinc/90/46/08/598904608.db2.gz VNFBZCALLVVFJQ-UHFFFAOYSA-N -1 3 320.372 2.954 20 0 DFADHM CC(C)(C)CCCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735603034 598904610 /nfs/dbraw/zinc/90/46/10/598904610.db2.gz VNFBZCALLVVFJQ-UHFFFAOYSA-N -1 3 320.372 2.954 20 0 DFADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1sccc1-c1nnn[n-]1 ZINC000736261599 598907169 /nfs/dbraw/zinc/90/71/69/598907169.db2.gz KVVAKCVQBIFTHU-QWRGUYRKSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1sccc1-c1nn[n-]n1 ZINC000736261599 598907170 /nfs/dbraw/zinc/90/71/70/598907170.db2.gz KVVAKCVQBIFTHU-QWRGUYRKSA-N -1 3 319.434 2.874 20 0 DFADHM CC(C)[C@@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735749672 598926886 /nfs/dbraw/zinc/92/68/86/598926886.db2.gz ODOYVDNXOGAAAI-CYBMUJFWSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)[C@@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735749672 598926888 /nfs/dbraw/zinc/92/68/88/598926888.db2.gz ODOYVDNXOGAAAI-CYBMUJFWSA-N -1 3 313.405 2.765 20 0 DFADHM CC1CCC(=CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736240687 598927544 /nfs/dbraw/zinc/92/75/44/598927544.db2.gz WMBDPFDSUCZNSF-UHFFFAOYSA-N -1 3 311.389 2.966 20 0 DFADHM CC1CCC(=CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736240687 598927546 /nfs/dbraw/zinc/92/75/46/598927546.db2.gz WMBDPFDSUCZNSF-UHFFFAOYSA-N -1 3 311.389 2.966 20 0 DFADHM Cc1ccc2oc(NCc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000737378378 598937339 /nfs/dbraw/zinc/93/73/39/598937339.db2.gz AQIBEJIZVKZJEJ-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1ccc2oc(NCc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000737378378 598937340 /nfs/dbraw/zinc/93/73/40/598937340.db2.gz AQIBEJIZVKZJEJ-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM CCN(C(=O)C1CC=CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501488 598939478 /nfs/dbraw/zinc/93/94/78/598939478.db2.gz CPTDAINZLQYAEG-LBPRGKRZSA-N -1 3 311.389 2.742 20 0 DFADHM CCN(C(=O)C1CC=CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501488 598939479 /nfs/dbraw/zinc/93/94/79/598939479.db2.gz CPTDAINZLQYAEG-LBPRGKRZSA-N -1 3 311.389 2.742 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)C(C)(C)C ZINC000736633394 599015860 /nfs/dbraw/zinc/01/58/60/599015860.db2.gz ATNOYFPTQZCUIS-SNVBAGLBSA-N -1 3 317.393 2.886 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)C(C)(C)C ZINC000736633394 599015863 /nfs/dbraw/zinc/01/58/63/599015863.db2.gz ATNOYFPTQZCUIS-SNVBAGLBSA-N -1 3 317.393 2.886 20 0 DFADHM Cc1ccc(F)c(OCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000737346018 599032902 /nfs/dbraw/zinc/03/29/02/599032902.db2.gz ZNNISNWFQWWMGM-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1ccc(F)c(OCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000737346018 599032905 /nfs/dbraw/zinc/03/29/05/599032905.db2.gz ZNNISNWFQWWMGM-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM C[C@H]1CCCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736263997 599038349 /nfs/dbraw/zinc/03/83/49/599038349.db2.gz ASJSFWYLRHTPKZ-QMMMGPOBSA-N -1 3 312.299 2.659 20 0 DFADHM C[C@H]1CCCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736263997 599038352 /nfs/dbraw/zinc/03/83/52/599038352.db2.gz ASJSFWYLRHTPKZ-QMMMGPOBSA-N -1 3 312.299 2.659 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCCC(C)(C)CC2)n1 ZINC000822190828 599039779 /nfs/dbraw/zinc/03/97/79/599039779.db2.gz BTYGIOIPLHYIDQ-UHFFFAOYSA-N -1 3 300.410 2.895 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCCC(C)(C)CC2)n1 ZINC000822190828 599039783 /nfs/dbraw/zinc/03/97/83/599039783.db2.gz BTYGIOIPLHYIDQ-UHFFFAOYSA-N -1 3 300.410 2.895 20 0 DFADHM CCC[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736425633 599040645 /nfs/dbraw/zinc/04/06/45/599040645.db2.gz VXYXLXLKMQRPSH-ZETCQYMHSA-N -1 3 300.288 2.881 20 0 DFADHM CCC[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736425633 599040648 /nfs/dbraw/zinc/04/06/48/599040648.db2.gz VXYXLXLKMQRPSH-ZETCQYMHSA-N -1 3 300.288 2.881 20 0 DFADHM CCC[C@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736422508 599044228 /nfs/dbraw/zinc/04/42/28/599044228.db2.gz IOKJDOAOZKZELW-QMMMGPOBSA-N -1 3 314.315 2.905 20 0 DFADHM CCC[C@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736422508 599044230 /nfs/dbraw/zinc/04/42/30/599044230.db2.gz IOKJDOAOZKZELW-QMMMGPOBSA-N -1 3 314.315 2.905 20 0 DFADHM COC(C)(C)C[C@@H](C)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821672699 599045496 /nfs/dbraw/zinc/04/54/96/599045496.db2.gz UZJXPKKUCHJRSY-MRVPVSSYSA-N -1 3 311.336 2.760 20 0 DFADHM COC(C)(C)C[C@@H](C)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821672699 599045498 /nfs/dbraw/zinc/04/54/98/599045498.db2.gz UZJXPKKUCHJRSY-MRVPVSSYSA-N -1 3 311.336 2.760 20 0 DFADHM CC(C)CCN(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735804595 599045696 /nfs/dbraw/zinc/04/56/96/599045696.db2.gz WQNUSQOULDBGRL-UHFFFAOYSA-N -1 3 314.315 2.763 20 0 DFADHM CC(C)CCN(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735804595 599045698 /nfs/dbraw/zinc/04/56/98/599045698.db2.gz WQNUSQOULDBGRL-UHFFFAOYSA-N -1 3 314.315 2.763 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC[C@H]1c1ccccc1 ZINC000820768783 599050725 /nfs/dbraw/zinc/05/07/25/599050725.db2.gz PROBBOHHXDDNGQ-XJKSGUPXSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC[C@H]1c1ccccc1 ZINC000820768783 599050727 /nfs/dbraw/zinc/05/07/27/599050727.db2.gz PROBBOHHXDDNGQ-XJKSGUPXSA-N -1 3 320.400 2.892 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@H]2CCC[C@@H]21 ZINC000822563963 599053903 /nfs/dbraw/zinc/05/39/03/599053903.db2.gz SCRQMVWNADLRLH-SKDRFNHKSA-N -1 3 304.785 2.684 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@H]2CCC[C@@H]21 ZINC000822563963 599053907 /nfs/dbraw/zinc/05/39/07/599053907.db2.gz SCRQMVWNADLRLH-SKDRFNHKSA-N -1 3 304.785 2.684 20 0 DFADHM CC1(C)C[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736212453 599056189 /nfs/dbraw/zinc/05/61/89/599056189.db2.gz ZSNAODWKMACRGF-SSDOTTSWSA-N -1 3 312.299 2.739 20 0 DFADHM CC1(C)C[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736212453 599056192 /nfs/dbraw/zinc/05/61/92/599056192.db2.gz ZSNAODWKMACRGF-SSDOTTSWSA-N -1 3 312.299 2.739 20 0 DFADHM CC[C@H](C)CN(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736322936 599056280 /nfs/dbraw/zinc/05/62/80/599056280.db2.gz RPCRQXHZICKVGO-QMMMGPOBSA-N -1 3 314.315 2.763 20 0 DFADHM CC[C@H](C)CN(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736322936 599056283 /nfs/dbraw/zinc/05/62/83/599056283.db2.gz RPCRQXHZICKVGO-QMMMGPOBSA-N -1 3 314.315 2.763 20 0 DFADHM Cc1c2ccccc2oc1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000737210625 599058753 /nfs/dbraw/zinc/05/87/53/599058753.db2.gz GVBWGSWKAFGRCI-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1c2ccccc2oc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000737210625 599058756 /nfs/dbraw/zinc/05/87/56/599058756.db2.gz GVBWGSWKAFGRCI-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1ccc(C(C)(C)CN(C)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822227294 599062852 /nfs/dbraw/zinc/06/28/52/599062852.db2.gz CMBLLOYAFNVKFC-UHFFFAOYSA-N -1 3 322.416 2.984 20 0 DFADHM Cc1ccc(C(C)(C)CN(C)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822227294 599062854 /nfs/dbraw/zinc/06/28/54/599062854.db2.gz CMBLLOYAFNVKFC-UHFFFAOYSA-N -1 3 322.416 2.984 20 0 DFADHM Cc1nnc(NCC[C@H]2CCC[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737521468 599064094 /nfs/dbraw/zinc/06/40/94/599064094.db2.gz PJRHIFPQTMQZES-ZWNOBZJWSA-N -1 3 315.425 2.902 20 0 DFADHM Cc1nnc(NCC[C@H]2CCC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737521468 599064097 /nfs/dbraw/zinc/06/40/97/599064097.db2.gz PJRHIFPQTMQZES-ZWNOBZJWSA-N -1 3 315.425 2.902 20 0 DFADHM CS[C@H]1CC[C@@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821950562 599073061 /nfs/dbraw/zinc/07/30/61/599073061.db2.gz OWXLZGRNSFTPDV-BDAKNGLRSA-N -1 3 311.361 2.841 20 0 DFADHM CS[C@H]1CC[C@@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821950562 599073064 /nfs/dbraw/zinc/07/30/64/599073064.db2.gz OWXLZGRNSFTPDV-BDAKNGLRSA-N -1 3 311.361 2.841 20 0 DFADHM C[C@@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)C[C@@H](C)S1 ZINC000820776950 599074823 /nfs/dbraw/zinc/07/48/23/599074823.db2.gz NZFAARPRQUOPOF-RKDXNWHRSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)C[C@@H](C)S1 ZINC000820776950 599074825 /nfs/dbraw/zinc/07/48/25/599074825.db2.gz NZFAARPRQUOPOF-RKDXNWHRSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000820767700 599075040 /nfs/dbraw/zinc/07/50/40/599075040.db2.gz JYAJQQJGQLTRNU-DTORHVGOSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820767700 599075042 /nfs/dbraw/zinc/07/50/42/599075042.db2.gz JYAJQQJGQLTRNU-DTORHVGOSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736245283 599075806 /nfs/dbraw/zinc/07/58/06/599075806.db2.gz RWAZIHMSJAVAHX-ZJUUUORDSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736245283 599075810 /nfs/dbraw/zinc/07/58/10/599075810.db2.gz RWAZIHMSJAVAHX-ZJUUUORDSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2F)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820668789 599077504 /nfs/dbraw/zinc/07/75/04/599077504.db2.gz WNTFRTMWYXACOV-NHYWBVRUSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2F)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820668789 599077507 /nfs/dbraw/zinc/07/75/07/599077507.db2.gz WNTFRTMWYXACOV-NHYWBVRUSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC000736266812 599082798 /nfs/dbraw/zinc/08/27/98/599082798.db2.gz PISPRFNHFFATPW-BWFAQCLASA-N -1 3 311.389 2.527 20 0 DFADHM C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC000736266812 599082800 /nfs/dbraw/zinc/08/28/00/599082800.db2.gz PISPRFNHFFATPW-BWFAQCLASA-N -1 3 311.389 2.527 20 0 DFADHM CCc1cnc(CCNc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000821497504 599082944 /nfs/dbraw/zinc/08/29/44/599082944.db2.gz URMBJJKNTLHECN-UHFFFAOYSA-N -1 3 318.381 2.679 20 0 DFADHM Cc1ccccc1NC(=O)CNc1cccc(-c2nnn[n-]2)c1C ZINC000822361861 607258344 /nfs/dbraw/zinc/25/83/44/607258344.db2.gz JGFDDQKGEWIQEG-UHFFFAOYSA-N -1 3 322.372 2.534 20 0 DFADHM Cc1ccccc1NC(=O)CNc1cccc(-c2nn[n-]n2)c1C ZINC000822361861 607258345 /nfs/dbraw/zinc/25/83/45/607258345.db2.gz JGFDDQKGEWIQEG-UHFFFAOYSA-N -1 3 322.372 2.534 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CSC[C@H]1CCCOC1 ZINC000822761286 607258575 /nfs/dbraw/zinc/25/85/75/607258575.db2.gz GUPNRGOMRDRTSJ-JTQLQIEISA-N -1 3 308.382 2.666 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CSC[C@H]1CCCOC1 ZINC000822761286 607258576 /nfs/dbraw/zinc/25/85/76/607258576.db2.gz GUPNRGOMRDRTSJ-JTQLQIEISA-N -1 3 308.382 2.666 20 0 DFADHM Fc1ccc(CSC[C@@H]2CCCOC2)c(-c2nnn[n-]2)c1 ZINC000822774596 607258598 /nfs/dbraw/zinc/25/85/98/607258598.db2.gz MWURKTOUJRRTDT-SNVBAGLBSA-N -1 3 308.382 2.666 20 0 DFADHM Fc1ccc(CSC[C@@H]2CCCOC2)c(-c2nn[n-]n2)c1 ZINC000822774596 607258599 /nfs/dbraw/zinc/25/85/99/607258599.db2.gz MWURKTOUJRRTDT-SNVBAGLBSA-N -1 3 308.382 2.666 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H](C)C1 ZINC000737408622 599121860 /nfs/dbraw/zinc/12/18/60/599121860.db2.gz IXHOZAJYQUQCLH-NSHDSACASA-N -1 3 308.389 2.960 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H](C)C1 ZINC000737408622 599121862 /nfs/dbraw/zinc/12/18/62/599121862.db2.gz IXHOZAJYQUQCLH-NSHDSACASA-N -1 3 308.389 2.960 20 0 DFADHM CC(C)c1noc([C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735951954 599123641 /nfs/dbraw/zinc/12/36/41/599123641.db2.gz ALEMKAUJCWASRH-VIFPVBQESA-N -1 3 300.322 2.513 20 0 DFADHM CC(C)[C@H](C)S[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820550142 599131030 /nfs/dbraw/zinc/13/10/30/599131030.db2.gz UVRHNWQURSSVBM-QWRGUYRKSA-N -1 3 319.434 2.971 20 0 DFADHM CC(C)[C@H](C)S[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820550142 599131033 /nfs/dbraw/zinc/13/10/33/599131033.db2.gz UVRHNWQURSSVBM-QWRGUYRKSA-N -1 3 319.434 2.971 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(COc2ccc(Cl)nc2)c1 ZINC000822757679 607258976 /nfs/dbraw/zinc/25/89/76/607258976.db2.gz CNMZQZGIOLHQBV-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(COc2ccc(Cl)nc2)c1 ZINC000822757679 607258977 /nfs/dbraw/zinc/25/89/77/607258977.db2.gz CNMZQZGIOLHQBV-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C\C1CC1 ZINC000821100060 599141234 /nfs/dbraw/zinc/14/12/34/599141234.db2.gz SPKJSSMXUMMQQC-YFHOEESVSA-N -1 3 311.389 2.572 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C\C1CC1 ZINC000821100060 599141236 /nfs/dbraw/zinc/14/12/36/599141236.db2.gz SPKJSSMXUMMQQC-YFHOEESVSA-N -1 3 311.389 2.572 20 0 DFADHM CCN(C(=O)CC1CCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149167 599143494 /nfs/dbraw/zinc/14/34/94/599143494.db2.gz UAHJXLQJDOHQGQ-LBPRGKRZSA-N -1 3 313.405 2.966 20 0 DFADHM CCN(C(=O)CC1CCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149167 599143497 /nfs/dbraw/zinc/14/34/97/599143497.db2.gz UAHJXLQJDOHQGQ-LBPRGKRZSA-N -1 3 313.405 2.966 20 0 DFADHM C/C(=C\C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000819766188 599152317 /nfs/dbraw/zinc/15/23/17/599152317.db2.gz VXZFUBIKOKQVEK-JXMROGBWSA-N -1 3 317.368 2.614 20 0 DFADHM C/C(=C\C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000819766188 599152321 /nfs/dbraw/zinc/15/23/21/599152321.db2.gz VXZFUBIKOKQVEK-JXMROGBWSA-N -1 3 317.368 2.614 20 0 DFADHM CC[C@H]1CCC[C@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736400859 599156002 /nfs/dbraw/zinc/15/60/02/599156002.db2.gz SSZJDUVBJUWVRD-WFASDCNBSA-N -1 3 314.389 2.921 20 0 DFADHM CC[C@H]1CCC[C@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736400859 599156005 /nfs/dbraw/zinc/15/60/05/599156005.db2.gz SSZJDUVBJUWVRD-WFASDCNBSA-N -1 3 314.389 2.921 20 0 DFADHM CCC[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC ZINC000736433734 599163777 /nfs/dbraw/zinc/16/37/77/599163777.db2.gz AGJXQJDEDVOMIU-LBPRGKRZSA-N -1 3 306.391 2.691 20 0 DFADHM CCC[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC ZINC000736433734 599163780 /nfs/dbraw/zinc/16/37/80/599163780.db2.gz AGJXQJDEDVOMIU-LBPRGKRZSA-N -1 3 306.391 2.691 20 0 DFADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1ccco1 ZINC000738268794 599166025 /nfs/dbraw/zinc/16/60/25/599166025.db2.gz OCKPGKQXNUPXPZ-AWEZNQCLSA-N -1 3 323.356 2.827 20 0 DFADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1ccco1 ZINC000738268794 599166027 /nfs/dbraw/zinc/16/60/27/599166027.db2.gz OCKPGKQXNUPXPZ-AWEZNQCLSA-N -1 3 323.356 2.827 20 0 DFADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735571694 599174437 /nfs/dbraw/zinc/17/44/37/599174437.db2.gz HSQGMMOKSVKVKM-SNVBAGLBSA-N -1 3 312.304 2.715 20 0 DFADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735571694 599174438 /nfs/dbraw/zinc/17/44/38/599174438.db2.gz HSQGMMOKSVKVKM-SNVBAGLBSA-N -1 3 312.304 2.715 20 0 DFADHM CN(CCCNC(=O)[O-])Cc1ccc(F)c(Br)c1 ZINC000739681058 603256523 /nfs/dbraw/zinc/25/65/23/603256523.db2.gz CHHBLYDPCQNHCG-UHFFFAOYSA-N -1 3 319.174 2.678 20 0 DFADHM CC(C)(NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000735677504 599196607 /nfs/dbraw/zinc/19/66/07/599196607.db2.gz CPYQJCYRAFBWPU-UHFFFAOYSA-N -1 3 313.386 2.593 20 0 DFADHM CC(C)(NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000735677504 599196608 /nfs/dbraw/zinc/19/66/08/599196608.db2.gz CPYQJCYRAFBWPU-UHFFFAOYSA-N -1 3 313.386 2.593 20 0 DFADHM FC(F)(F)COCCSCc1ccccc1-c1nnn[n-]1 ZINC000822718286 599223901 /nfs/dbraw/zinc/22/39/01/599223901.db2.gz GSAUZZXJXAMWHB-UHFFFAOYSA-N -1 3 318.324 2.679 20 0 DFADHM FC(F)(F)COCCSCc1ccccc1-c1nn[n-]n1 ZINC000822718286 599223903 /nfs/dbraw/zinc/22/39/03/599223903.db2.gz GSAUZZXJXAMWHB-UHFFFAOYSA-N -1 3 318.324 2.679 20 0 DFADHM CCc1ccc2c(CN3CCC(C(=O)[O-])CC3)cc(=O)oc2c1 ZINC000739542458 596923418 /nfs/dbraw/zinc/92/34/18/596923418.db2.gz RDRYNAKMGIBGRY-UHFFFAOYSA-N -1 3 315.369 2.652 20 0 DFADHM CC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000736401349 599230482 /nfs/dbraw/zinc/23/04/82/599230482.db2.gz 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/nfs/dbraw/zinc/10/91/37/597109137.db2.gz DSMWVLAOWSQSDL-AWEZNQCLSA-N -1 3 304.346 2.549 20 0 DFADHM Cc1c(NC(=O)C[C@H](C)c2cccnc2)cccc1-c1nnn[n-]1 ZINC000822068006 607270483 /nfs/dbraw/zinc/27/04/83/607270483.db2.gz NBHYYJKPVIKOSN-NSHDSACASA-N -1 3 322.372 2.702 20 0 DFADHM Cc1c(NC(=O)C[C@H](C)c2cccnc2)cccc1-c1nn[n-]n1 ZINC000822068006 607270484 /nfs/dbraw/zinc/27/04/84/607270484.db2.gz NBHYYJKPVIKOSN-NSHDSACASA-N -1 3 322.372 2.702 20 0 DFADHM COCc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821696090 607271408 /nfs/dbraw/zinc/27/14/08/607271408.db2.gz VXHDAHCZAXWKRG-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM COCc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821696090 607271409 /nfs/dbraw/zinc/27/14/09/607271409.db2.gz VXHDAHCZAXWKRG-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1C ZINC000821702971 607271491 /nfs/dbraw/zinc/27/14/91/607271491.db2.gz JIJREJTURGVASZ-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1C ZINC000821702971 607271492 /nfs/dbraw/zinc/27/14/92/607271492.db2.gz JIJREJTURGVASZ-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC2(CCCC2)C1 ZINC000823308481 599244527 /nfs/dbraw/zinc/24/45/27/599244527.db2.gz BQYDDMUHMAHNHJ-UHFFFAOYSA-N -1 3 312.377 2.665 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCCC2)C1 ZINC000823308481 599244530 /nfs/dbraw/zinc/24/45/30/599244530.db2.gz BQYDDMUHMAHNHJ-UHFFFAOYSA-N -1 3 312.377 2.665 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820697447 599245484 /nfs/dbraw/zinc/24/54/84/599245484.db2.gz HIUMXIAJUPARCS-VXGBXAGGSA-N -1 3 314.393 2.909 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820697447 599245488 /nfs/dbraw/zinc/24/54/88/599245488.db2.gz HIUMXIAJUPARCS-VXGBXAGGSA-N -1 3 314.393 2.909 20 0 DFADHM Cc1c(NC(=O)NCCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822105592 607281901 /nfs/dbraw/zinc/28/19/01/607281901.db2.gz VMFXVMQRDDZWPW-UHFFFAOYSA-N -1 3 322.372 2.539 20 0 DFADHM Cc1c(NC(=O)NCCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822105592 607281902 /nfs/dbraw/zinc/28/19/02/607281902.db2.gz VMFXVMQRDDZWPW-UHFFFAOYSA-N -1 3 322.372 2.539 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CCC[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822091436 607283370 /nfs/dbraw/zinc/28/33/70/607283370.db2.gz RDRZINNCVILCFC-JQWIXIFHSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CCC[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822091436 607283371 /nfs/dbraw/zinc/28/33/71/607283371.db2.gz RDRZINNCVILCFC-JQWIXIFHSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)NC[C@@H](C)C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822095206 607291800 /nfs/dbraw/zinc/29/18/00/607291800.db2.gz BEELKQMFQTYYHA-SNVBAGLBSA-N -1 3 316.409 2.979 20 0 DFADHM Cc1c(NC(=O)NC[C@@H](C)C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822095206 607291801 /nfs/dbraw/zinc/29/18/01/607291801.db2.gz BEELKQMFQTYYHA-SNVBAGLBSA-N -1 3 316.409 2.979 20 0 DFADHM Cc1c(NC(=O)c2c(F)cccc2F)cccc1-c1nnn[n-]1 ZINC000822102553 607296736 /nfs/dbraw/zinc/29/67/36/607296736.db2.gz BCWPDLWDTRFBBI-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1c(NC(=O)c2c(F)cccc2F)cccc1-c1nn[n-]n1 ZINC000822102553 607296737 /nfs/dbraw/zinc/29/67/37/607296737.db2.gz BCWPDLWDTRFBBI-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM O=C(Oc1cc(Cl)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738251597 599263506 /nfs/dbraw/zinc/26/35/06/599263506.db2.gz RWIHZGSXSIDAIE-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1cc(Cl)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738251597 599263508 /nfs/dbraw/zinc/26/35/08/599263508.db2.gz RWIHZGSXSIDAIE-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM c1cc(CNc2ccc(-c3nn[n-]n3)cc2)c2c(c1)OCCCO2 ZINC000823751389 607307751 /nfs/dbraw/zinc/30/77/51/607307751.db2.gz IKEFPFGCFOXDFJ-UHFFFAOYSA-N -1 3 323.356 2.640 20 0 DFADHM Cc1cc(N2CCCC2)ccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822207447 607308204 /nfs/dbraw/zinc/30/82/04/607308204.db2.gz WQWJWEIOKNUNOH-UHFFFAOYSA-N -1 3 324.388 2.980 20 0 DFADHM CCc1ccccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000821492332 607304427 /nfs/dbraw/zinc/30/44/27/607304427.db2.gz MBOUHGDGNOQNIO-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM CCc1ccccc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000821492332 607304428 /nfs/dbraw/zinc/30/44/28/607304428.db2.gz MBOUHGDGNOQNIO-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCCCc1nccs1 ZINC000737638258 599267847 /nfs/dbraw/zinc/26/78/47/599267847.db2.gz FEQYJMBQFVUNDR-UHFFFAOYSA-N -1 3 322.344 2.646 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCCCc1nccs1 ZINC000737638258 599267849 /nfs/dbraw/zinc/26/78/49/599267849.db2.gz FEQYJMBQFVUNDR-UHFFFAOYSA-N -1 3 322.344 2.646 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2cnccc2C)n1 ZINC000822192768 607326018 /nfs/dbraw/zinc/32/60/18/607326018.db2.gz ACSZMJYHCYUTAW-UHFFFAOYSA-N -1 3 312.402 2.874 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2cnccc2C)n1 ZINC000822192768 607326019 /nfs/dbraw/zinc/32/60/19/607326019.db2.gz ACSZMJYHCYUTAW-UHFFFAOYSA-N -1 3 312.402 2.874 20 0 DFADHM OC[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000823704528 607327736 /nfs/dbraw/zinc/32/77/36/607327736.db2.gz BYHSAYDJLKLHDA-AWEZNQCLSA-N -1 3 321.812 2.873 20 0 DFADHM OC[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000823704528 607327737 /nfs/dbraw/zinc/32/77/37/607327737.db2.gz BYHSAYDJLKLHDA-AWEZNQCLSA-N -1 3 321.812 2.873 20 0 DFADHM Cc1cn(Cc2nc(C(C)(C)C)cs2)cc1-c1nnn[n-]1 ZINC000822389309 607329868 /nfs/dbraw/zinc/32/98/68/607329868.db2.gz RWFDYBYWIKAHCP-UHFFFAOYSA-N -1 3 302.407 2.779 20 0 DFADHM Cc1cn(Cc2nc(C(C)(C)C)cs2)cc1-c1nn[n-]n1 ZINC000822389309 607329869 /nfs/dbraw/zinc/32/98/69/607329869.db2.gz RWFDYBYWIKAHCP-UHFFFAOYSA-N -1 3 302.407 2.779 20 0 DFADHM Cc1cn(Cc2cc(-c3cccs3)on2)cc1-c1nnn[n-]1 ZINC000822383792 607330203 /nfs/dbraw/zinc/33/02/03/607330203.db2.gz CMCFDOHCLMWBFE-UHFFFAOYSA-N -1 3 312.358 2.741 20 0 DFADHM Cc1cn(Cc2cc(-c3cccs3)on2)cc1-c1nn[n-]n1 ZINC000822383792 607330204 /nfs/dbraw/zinc/33/02/04/607330204.db2.gz CMCFDOHCLMWBFE-UHFFFAOYSA-N -1 3 312.358 2.741 20 0 DFADHM CC[C@H](C)[C@H](NCc1csc(-c2ccccn2)n1)C(=O)[O-] ZINC000820465628 598187771 /nfs/dbraw/zinc/18/77/71/598187771.db2.gz NENQOQYZMSLIJO-GWCFXTLKSA-N -1 3 305.403 2.794 20 0 DFADHM COc1ccc([C@@H](C)NCCC(=O)[O-])c(Br)c1 ZINC000820820272 598191756 /nfs/dbraw/zinc/19/17/56/598191756.db2.gz PEFUCLKBMIJQRT-MRVPVSSYSA-N -1 3 302.168 2.583 20 0 DFADHM O=C([O-])c1cccc(CNCc2cccc(N3CCCC3=O)c2)c1 ZINC000263468808 598202437 /nfs/dbraw/zinc/20/24/37/598202437.db2.gz KTRZKHPAOWAFTK-UHFFFAOYSA-N -1 3 324.380 2.801 20 0 DFADHM CC(C)C[C@H](NCc1nccn1Cc1ccccc1)C(=O)[O-] ZINC000819972564 598208807 /nfs/dbraw/zinc/20/88/07/598208807.db2.gz MZIGCRXSLCOWEL-HNNXBMFYSA-N -1 3 301.390 2.520 20 0 DFADHM O=C(Nc1cc(F)c(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738145499 598235427 /nfs/dbraw/zinc/23/54/27/598235427.db2.gz RTMGXNFIASMBKW-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1cc(F)c(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738145499 598235428 /nfs/dbraw/zinc/23/54/28/598235428.db2.gz RTMGXNFIASMBKW-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM Fc1ccc(F)c(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737660247 598244071 /nfs/dbraw/zinc/24/40/71/598244071.db2.gz PEMUVFZRYYJEOD-UHFFFAOYSA-N -1 3 322.706 2.805 20 0 DFADHM Fc1ccc(F)c(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737660247 598244072 /nfs/dbraw/zinc/24/40/72/598244072.db2.gz PEMUVFZRYYJEOD-UHFFFAOYSA-N -1 3 322.706 2.805 20 0 DFADHM CCc1cccc2c1OCC[C@@H]2Nc1ncccc1-c1nnn[n-]1 ZINC000736696568 598248194 /nfs/dbraw/zinc/24/81/94/598248194.db2.gz ZNWVQHQFBDZMTI-AWEZNQCLSA-N -1 3 322.372 2.760 20 0 DFADHM CCc1cccc2c1OCC[C@@H]2Nc1ncccc1-c1nn[n-]n1 ZINC000736696568 598248195 /nfs/dbraw/zinc/24/81/95/598248195.db2.gz ZNWVQHQFBDZMTI-AWEZNQCLSA-N -1 3 322.372 2.760 20 0 DFADHM CC(C)(C)CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735618362 598278650 /nfs/dbraw/zinc/27/86/50/598278650.db2.gz LCBAJFIBRAOXPV-UHFFFAOYSA-N -1 3 319.413 2.591 20 0 DFADHM CC(C)(C)CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735618362 598278651 /nfs/dbraw/zinc/27/86/51/598278651.db2.gz LCBAJFIBRAOXPV-UHFFFAOYSA-N -1 3 319.413 2.591 20 0 DFADHM CCCN(CC)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736468496 598281064 /nfs/dbraw/zinc/28/10/64/598281064.db2.gz CELSBNITPYIHCL-UHFFFAOYSA-N -1 3 319.413 2.687 20 0 DFADHM CCCN(CC)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736468496 598281066 /nfs/dbraw/zinc/28/10/66/598281066.db2.gz CELSBNITPYIHCL-UHFFFAOYSA-N -1 3 319.413 2.687 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cnc2ccccc2n1 ZINC000737639463 598310703 /nfs/dbraw/zinc/31/07/03/598310703.db2.gz CAWKNLGJYORTJY-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cnc2ccccc2n1 ZINC000737639463 598310705 /nfs/dbraw/zinc/31/07/05/598310705.db2.gz CAWKNLGJYORTJY-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM CCCc1noc(CSCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000736500134 598313361 /nfs/dbraw/zinc/31/33/61/598313361.db2.gz MSTTWJFOZGCOHK-UHFFFAOYSA-N -1 3 316.390 2.636 20 0 DFADHM CCCc1noc(CSCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000736500134 598313362 /nfs/dbraw/zinc/31/33/62/598313362.db2.gz MSTTWJFOZGCOHK-UHFFFAOYSA-N -1 3 316.390 2.636 20 0 DFADHM Cc1cc(C)n([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737257834 598339567 /nfs/dbraw/zinc/33/95/67/598339567.db2.gz VRKMMCYZFPGXBE-MRXNPFEDSA-N -1 3 323.404 2.522 20 0 DFADHM Cc1cc(F)ccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822206241 607354093 /nfs/dbraw/zinc/35/40/93/607354093.db2.gz ZMEZNIPDDMFPAC-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1cc(F)ccc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822206241 607354094 /nfs/dbraw/zinc/35/40/94/607354094.db2.gz ZMEZNIPDDMFPAC-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM C(=CC1=Cc2ccccc2OC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000735391107 598362772 /nfs/dbraw/zinc/36/27/72/598362772.db2.gz LTZPMTULCKBCJG-FNORWQNLSA-N -1 3 303.325 2.751 20 0 DFADHM C(=CC1=Cc2ccccc2OC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000735391107 598362774 /nfs/dbraw/zinc/36/27/74/598362774.db2.gz LTZPMTULCKBCJG-FNORWQNLSA-N -1 3 303.325 2.751 20 0 DFADHM CN(Cc1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736829138 598385536 /nfs/dbraw/zinc/38/55/36/598385536.db2.gz ZARQFESYHNUWHL-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736829138 598385538 /nfs/dbraw/zinc/38/55/38/598385538.db2.gz ZARQFESYHNUWHL-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM Cc1ccccc1CN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737428194 598386980 /nfs/dbraw/zinc/38/69/80/598386980.db2.gz MWAIAEXIJBZVEH-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Cc1ccccc1CN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737428194 598386982 /nfs/dbraw/zinc/38/69/82/598386982.db2.gz MWAIAEXIJBZVEH-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM C[C@H]1CCC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000736249902 598388851 /nfs/dbraw/zinc/38/88/51/598388851.db2.gz LOHFERFPIZJSDA-ONGXEEELSA-N -1 3 306.801 2.930 20 0 DFADHM C[C@H]1CCC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000736249902 598388853 /nfs/dbraw/zinc/38/88/53/598388853.db2.gz LOHFERFPIZJSDA-ONGXEEELSA-N -1 3 306.801 2.930 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H]1C[C@@H]1c1ccccc1 ZINC000737558902 598392761 /nfs/dbraw/zinc/39/27/61/598392761.db2.gz RDYKCEBPKIKITC-YPMHNXCESA-N -1 3 312.764 2.883 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H]1C[C@@H]1c1ccccc1 ZINC000737558902 598392764 /nfs/dbraw/zinc/39/27/64/598392764.db2.gz RDYKCEBPKIKITC-YPMHNXCESA-N -1 3 312.764 2.883 20 0 DFADHM Cc1[nH]c2ccccc2c1CCNc1ncccc1-c1nnn[n-]1 ZINC000737199333 598394899 /nfs/dbraw/zinc/39/48/99/598394899.db2.gz MQRHFKNHPXOHFZ-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1[nH]c2ccccc2c1CCNc1ncccc1-c1nn[n-]n1 ZINC000737199333 598394901 /nfs/dbraw/zinc/39/49/01/598394901.db2.gz MQRHFKNHPXOHFZ-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1C ZINC000737437719 598396254 /nfs/dbraw/zinc/39/62/54/598396254.db2.gz ZTFJQLHUDVLIGH-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM C[C@H]1c2ccccc2CCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736302298 598398214 /nfs/dbraw/zinc/39/82/14/598398214.db2.gz GGCRYNVBGSKSDA-LBPRGKRZSA-N -1 3 319.368 2.626 20 0 DFADHM C[C@H]1c2ccccc2CCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736302298 598398217 /nfs/dbraw/zinc/39/82/17/598398217.db2.gz GGCRYNVBGSKSDA-LBPRGKRZSA-N -1 3 319.368 2.626 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C)(C)CC1 ZINC000737291780 598413258 /nfs/dbraw/zinc/41/32/58/598413258.db2.gz PUVHJYGFINNNFN-UHFFFAOYSA-N -1 3 314.393 2.829 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C)(C)CC1 ZINC000737291780 598413259 /nfs/dbraw/zinc/41/32/59/598413259.db2.gz PUVHJYGFINNNFN-UHFFFAOYSA-N -1 3 314.393 2.829 20 0 DFADHM Cc1cccc(N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737395879 598418664 /nfs/dbraw/zinc/41/86/64/598418664.db2.gz AOYZSNAMFXUXHE-KHPPLWFESA-N -1 3 319.368 2.851 20 0 DFADHM Cc1cccc(N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737395879 598418665 /nfs/dbraw/zinc/41/86/65/598418665.db2.gz AOYZSNAMFXUXHE-KHPPLWFESA-N -1 3 319.368 2.851 20 0 DFADHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737189133 598422327 /nfs/dbraw/zinc/42/23/27/598422327.db2.gz JDTNGUADVQOTHD-CYBMUJFWSA-N -1 3 321.384 2.677 20 0 DFADHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737189133 598422329 /nfs/dbraw/zinc/42/23/29/598422329.db2.gz JDTNGUADVQOTHD-CYBMUJFWSA-N -1 3 321.384 2.677 20 0 DFADHM COc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737102983 598423483 /nfs/dbraw/zinc/42/34/83/598423483.db2.gz DZXIVQITRZVTLY-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM COc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737102983 598423485 /nfs/dbraw/zinc/42/34/85/598423485.db2.gz DZXIVQITRZVTLY-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM CC(C)OC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000735895255 598426997 /nfs/dbraw/zinc/42/69/97/598426997.db2.gz RBELXBZTCYGPFC-UHFFFAOYSA-N -1 3 321.812 2.914 20 0 DFADHM CC(C)OC1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000735895255 598426998 /nfs/dbraw/zinc/42/69/98/598426998.db2.gz RBELXBZTCYGPFC-UHFFFAOYSA-N -1 3 321.812 2.914 20 0 DFADHM CCCCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736467167 598435146 /nfs/dbraw/zinc/43/51/46/598435146.db2.gz WZYXXNQAPDKFMT-UHFFFAOYSA-N -1 3 322.372 2.857 20 0 DFADHM CCCCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736467167 598435147 /nfs/dbraw/zinc/43/51/47/598435147.db2.gz WZYXXNQAPDKFMT-UHFFFAOYSA-N -1 3 322.372 2.857 20 0 DFADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(C)cc1C ZINC000736504993 598443082 /nfs/dbraw/zinc/44/30/82/598443082.db2.gz FMLFPLLNLZFKTN-UHFFFAOYSA-N -1 3 322.372 2.545 20 0 DFADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(C)cc1C ZINC000736504993 598443084 /nfs/dbraw/zinc/44/30/84/598443084.db2.gz FMLFPLLNLZFKTN-UHFFFAOYSA-N -1 3 322.372 2.545 20 0 DFADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc2[nH]ccc2c1 ZINC000738234613 598475751 /nfs/dbraw/zinc/47/57/51/598475751.db2.gz KJYNTDXGUHMVAD-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc2[nH]ccc2c1 ZINC000738234613 598475753 /nfs/dbraw/zinc/47/57/53/598475753.db2.gz KJYNTDXGUHMVAD-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM C[C@@H](OC(=O)C[C@H](C)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000736153334 598481475 /nfs/dbraw/zinc/48/14/75/598481475.db2.gz YCOAMOFRXNTZBW-WDEREUQCSA-N -1 3 300.362 2.907 20 0 DFADHM C[C@@H](OC(=O)C[C@H](C)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000736153334 598481477 /nfs/dbraw/zinc/48/14/77/598481477.db2.gz YCOAMOFRXNTZBW-WDEREUQCSA-N -1 3 300.362 2.907 20 0 DFADHM CCCC[C@H](CC)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736437718 598485007 /nfs/dbraw/zinc/48/50/07/598485007.db2.gz KMUQXWDHBCKTOK-NSHDSACASA-N -1 3 303.366 2.635 20 0 DFADHM CCCC[C@H](CC)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736437718 598485008 /nfs/dbraw/zinc/48/50/08/598485008.db2.gz KMUQXWDHBCKTOK-NSHDSACASA-N -1 3 303.366 2.635 20 0 DFADHM COc1cccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737120436 598489281 /nfs/dbraw/zinc/48/92/81/598489281.db2.gz AGTLEJPPADZYKT-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM COc1cccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737120436 598489283 /nfs/dbraw/zinc/48/92/83/598489283.db2.gz AGTLEJPPADZYKT-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000736151141 598490132 /nfs/dbraw/zinc/49/01/32/598490132.db2.gz KZTTYCLKSGPQPC-WSKFYRRCSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000736151141 598490133 /nfs/dbraw/zinc/49/01/33/598490133.db2.gz KZTTYCLKSGPQPC-WSKFYRRCSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@H](OC(=O)Cc1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154938 598490949 /nfs/dbraw/zinc/49/09/49/598490949.db2.gz DBUYOHIMBDKCRE-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@H](OC(=O)Cc1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154938 598490950 /nfs/dbraw/zinc/49/09/50/598490950.db2.gz DBUYOHIMBDKCRE-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735760676 598493998 /nfs/dbraw/zinc/49/39/98/598493998.db2.gz GNNJJDVAAYYGTD-GFCCVEGCSA-N -1 3 301.394 2.555 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735760676 598493999 /nfs/dbraw/zinc/49/39/99/598493999.db2.gz GNNJJDVAAYYGTD-GFCCVEGCSA-N -1 3 301.394 2.555 20 0 DFADHM CC(C)C[C@H](C)CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000735761060 598495577 /nfs/dbraw/zinc/49/55/77/598495577.db2.gz KQJKIQJNPJUZBE-LBPRGKRZSA-N -1 3 301.394 2.902 20 0 DFADHM CC(C)C[C@H](C)CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000735761060 598495579 /nfs/dbraw/zinc/49/55/79/598495579.db2.gz KQJKIQJNPJUZBE-LBPRGKRZSA-N -1 3 301.394 2.902 20 0 DFADHM Cc1nc(C)c(CCNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737473576 598503806 /nfs/dbraw/zinc/50/38/06/598503806.db2.gz KJRSBFVGPFIITP-UHFFFAOYSA-N -1 3 300.391 2.595 20 0 DFADHM Fc1cccc(OCCOc2cccc(-c3nnn[n-]3)c2)c1F ZINC000737664851 598514771 /nfs/dbraw/zinc/51/47/71/598514771.db2.gz PGDOVLREBFVUGR-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Fc1cccc(OCCOc2cccc(-c3nn[n-]n3)c2)c1F ZINC000737664851 598514772 /nfs/dbraw/zinc/51/47/72/598514772.db2.gz PGDOVLREBFVUGR-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Cc1csc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000737454932 598521518 /nfs/dbraw/zinc/52/15/18/598521518.db2.gz JOPFTPSHRLARAZ-SSDOTTSWSA-N -1 3 321.797 2.853 20 0 DFADHM Cc1csc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000737454932 598521519 /nfs/dbraw/zinc/52/15/19/598521519.db2.gz JOPFTPSHRLARAZ-SSDOTTSWSA-N -1 3 321.797 2.853 20 0 DFADHM CC(=O)c1ccc(F)cc1OCc1ccccc1-c1nnn[n-]1 ZINC000735495822 598521910 /nfs/dbraw/zinc/52/19/10/598521910.db2.gz ORALHLJCZUWPAY-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccc(F)cc1OCc1ccccc1-c1nn[n-]n1 ZINC000735495822 598521912 /nfs/dbraw/zinc/52/19/12/598521912.db2.gz ORALHLJCZUWPAY-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736400932 598534297 /nfs/dbraw/zinc/53/42/97/598534297.db2.gz FCULQTREQDYFFP-FZMZJTMJSA-N -1 3 314.393 2.512 20 0 DFADHM CC[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736400932 598534298 /nfs/dbraw/zinc/53/42/98/598534298.db2.gz FCULQTREQDYFFP-FZMZJTMJSA-N -1 3 314.393 2.512 20 0 DFADHM Cc1ccc(OCCOc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000737365722 598552236 /nfs/dbraw/zinc/55/22/36/598552236.db2.gz KDUMBGQZSCYEAS-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1ccc(OCCOc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000737365722 598552237 /nfs/dbraw/zinc/55/22/37/598552237.db2.gz KDUMBGQZSCYEAS-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1ccccc1[C@@H](C)Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000737421110 598567030 /nfs/dbraw/zinc/56/70/30/598567030.db2.gz KGSHMFLRXZIEFI-GFCCVEGCSA-N -1 3 319.372 2.996 20 0 DFADHM Cc1ccccc1[C@@H](C)Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000737421110 598567032 /nfs/dbraw/zinc/56/70/32/598567032.db2.gz KGSHMFLRXZIEFI-GFCCVEGCSA-N -1 3 319.372 2.996 20 0 DFADHM CC(C)c1nc(C(=O)Nc2ccccc2-c2nnn[n-]2)cs1 ZINC000735941464 598571985 /nfs/dbraw/zinc/57/19/85/598571985.db2.gz ZMVMFUYUZXBUHF-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM CC(C)c1nc(C(=O)Nc2ccccc2-c2nn[n-]n2)cs1 ZINC000735941464 598571986 /nfs/dbraw/zinc/57/19/86/598571986.db2.gz ZMVMFUYUZXBUHF-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737343452 598584120 /nfs/dbraw/zinc/58/41/20/598584120.db2.gz PKMGUVODVQLDCD-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737343452 598584121 /nfs/dbraw/zinc/58/41/21/598584121.db2.gz PKMGUVODVQLDCD-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM O=C(C=Cc1ccccc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737801175 598592329 /nfs/dbraw/zinc/59/23/29/598592329.db2.gz SISYHORIGCZCRT-RMKNXTFCSA-N -1 3 309.304 2.658 20 0 DFADHM O=C(C=Cc1ccccc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737801175 598592330 /nfs/dbraw/zinc/59/23/30/598592330.db2.gz SISYHORIGCZCRT-RMKNXTFCSA-N -1 3 309.304 2.658 20 0 DFADHM CC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000735499224 598607382 /nfs/dbraw/zinc/60/73/82/598607382.db2.gz MPBUQBCQUKIMJT-UHFFFAOYSA-N -1 3 308.341 2.957 20 0 DFADHM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000735499224 598607380 /nfs/dbraw/zinc/60/73/80/598607380.db2.gz MPBUQBCQUKIMJT-UHFFFAOYSA-N -1 3 308.341 2.957 20 0 DFADHM CC(C)Cc1noc([C@@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000735851280 598610788 /nfs/dbraw/zinc/61/07/88/598610788.db2.gz ORJVTRQCPMRGFG-SNVBAGLBSA-N -1 3 314.349 2.588 20 0 DFADHM CC(C)Cc1noc([C@@H](C)Oc2ccccc2-c2nn[n-]n2)n1 ZINC000735851280 598610789 /nfs/dbraw/zinc/61/07/89/598610789.db2.gz ORJVTRQCPMRGFG-SNVBAGLBSA-N -1 3 314.349 2.588 20 0 DFADHM CC[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736401836 598631608 /nfs/dbraw/zinc/63/16/08/598631608.db2.gz YSUVFXYFUWFUJI-LLVKDONJSA-N -1 3 318.356 2.802 20 0 DFADHM CC[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736401836 598631610 /nfs/dbraw/zinc/63/16/10/598631610.db2.gz YSUVFXYFUWFUJI-LLVKDONJSA-N -1 3 318.356 2.802 20 0 DFADHM Cc1nc(SCc2ccc(F)cc2-c2nn[n-]n2)oc1C ZINC000737482295 598644948 /nfs/dbraw/zinc/64/49/48/598644948.db2.gz HEKZDQWFDQTZCP-UHFFFAOYSA-N -1 3 305.338 2.903 20 0 DFADHM Cc1nc(SCc2ccc(F)cc2-c2nnn[n-]2)oc1C ZINC000737482295 598644946 /nfs/dbraw/zinc/64/49/46/598644946.db2.gz HEKZDQWFDQTZCP-UHFFFAOYSA-N -1 3 305.338 2.903 20 0 DFADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC000735974438 598658830 /nfs/dbraw/zinc/65/88/30/598658830.db2.gz HMUAEVIZRSDTRS-LLVKDONJSA-N -1 3 314.393 2.807 20 0 DFADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC000735974438 598658832 /nfs/dbraw/zinc/65/88/32/598658832.db2.gz HMUAEVIZRSDTRS-LLVKDONJSA-N -1 3 314.393 2.807 20 0 DFADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735747372 598661555 /nfs/dbraw/zinc/66/15/55/598661555.db2.gz CRPCNVUPSWVBCU-GJZGRUSLSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735747372 598661557 /nfs/dbraw/zinc/66/15/57/598661557.db2.gz CRPCNVUPSWVBCU-GJZGRUSLSA-N -1 3 313.405 2.811 20 0 DFADHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H](C)O1 ZINC000736409650 598678595 /nfs/dbraw/zinc/67/85/95/598678595.db2.gz WYOJVRJIMZOQBV-GXSJLCMTSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H](C)O1 ZINC000736409650 598678597 /nfs/dbraw/zinc/67/85/97/598678597.db2.gz WYOJVRJIMZOQBV-GXSJLCMTSA-N -1 3 307.785 2.524 20 0 DFADHM Fc1ccc(Cn2cc(-c3ccccc3)cn2)c(-c2nnn[n-]2)c1 ZINC000737660112 598676338 /nfs/dbraw/zinc/67/63/38/598676338.db2.gz MZQQABLAFCCEDM-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1ccc(Cn2cc(-c3ccccc3)cn2)c(-c2nn[n-]n2)c1 ZINC000737660112 598676340 /nfs/dbraw/zinc/67/63/40/598676340.db2.gz MZQQABLAFCCEDM-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CC[C@@H](c2ccco2)C1 ZINC000737639409 598676984 /nfs/dbraw/zinc/67/69/84/598676984.db2.gz QPPSOUVBIINADQ-SECBINFHSA-N -1 3 317.299 2.732 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CC[C@@H](c2ccco2)C1 ZINC000737639409 598676985 /nfs/dbraw/zinc/67/69/85/598676985.db2.gz QPPSOUVBIINADQ-SECBINFHSA-N -1 3 317.299 2.732 20 0 DFADHM C[C@H](c1ccncc1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736201336 598700254 /nfs/dbraw/zinc/70/02/54/598700254.db2.gz CXNKLFCJNAJIAP-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000738235368 598704401 /nfs/dbraw/zinc/70/44/01/598704401.db2.gz KTGMDTYYWLONFN-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000738235368 598704404 /nfs/dbraw/zinc/70/44/04/598704404.db2.gz KTGMDTYYWLONFN-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM CCCCOC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736460285 598725731 /nfs/dbraw/zinc/72/57/31/598725731.db2.gz FQBNGLVRMCCXNC-UHFFFAOYSA-N -1 3 318.377 2.759 20 0 DFADHM CCCCOC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736460285 598725729 /nfs/dbraw/zinc/72/57/29/598725729.db2.gz FQBNGLVRMCCXNC-UHFFFAOYSA-N -1 3 318.377 2.759 20 0 DFADHM CCCCCCC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825268004 607365417 /nfs/dbraw/zinc/36/54/17/607365417.db2.gz PSMDWOZVTLZNHF-UHFFFAOYSA-N -1 3 316.361 2.563 20 0 DFADHM CCCCCCC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825268004 607365418 /nfs/dbraw/zinc/36/54/18/607365418.db2.gz PSMDWOZVTLZNHF-UHFFFAOYSA-N -1 3 316.361 2.563 20 0 DFADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000737243576 598779727 /nfs/dbraw/zinc/77/97/27/598779727.db2.gz UQSAIISVCXUIDC-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737243576 598779728 /nfs/dbraw/zinc/77/97/28/598779728.db2.gz UQSAIISVCXUIDC-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CSc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737193737 598781566 /nfs/dbraw/zinc/78/15/66/598781566.db2.gz VXSZEJAXSSLAQS-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM CSc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737193737 598781567 /nfs/dbraw/zinc/78/15/67/598781567.db2.gz VXSZEJAXSSLAQS-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCc2ccccc21 ZINC000738250100 598789503 /nfs/dbraw/zinc/78/95/03/598789503.db2.gz BWVPOLZUOQTOGA-HNNXBMFYSA-N -1 3 306.325 2.502 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2ccccc21 ZINC000738250100 598789504 /nfs/dbraw/zinc/78/95/04/598789504.db2.gz BWVPOLZUOQTOGA-HNNXBMFYSA-N -1 3 306.325 2.502 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCSCC1 ZINC000738163830 598790893 /nfs/dbraw/zinc/79/08/93/598790893.db2.gz PTZROGJIQJRGLT-UHFFFAOYSA-N -1 3 323.809 2.602 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCSCC1 ZINC000738163830 598790895 /nfs/dbraw/zinc/79/08/95/598790895.db2.gz PTZROGJIQJRGLT-UHFFFAOYSA-N -1 3 323.809 2.602 20 0 DFADHM CN(Cc1cccnc1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736828234 598791710 /nfs/dbraw/zinc/79/17/10/598791710.db2.gz JLBQTOPJOSGPOR-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1cccnc1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736828234 598791711 /nfs/dbraw/zinc/79/17/11/598791711.db2.gz JLBQTOPJOSGPOR-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CC[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC000736336059 598815894 /nfs/dbraw/zinc/81/58/94/598815894.db2.gz YSKLKDCOVBXELL-NSHDSACASA-N -1 3 318.377 2.853 20 0 DFADHM CC[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC000736336059 598815896 /nfs/dbraw/zinc/81/58/96/598815896.db2.gz YSKLKDCOVBXELL-NSHDSACASA-N -1 3 318.377 2.853 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCCOc2ccccc2)n1 ZINC000822193262 599319722 /nfs/dbraw/zinc/31/97/22/599319722.db2.gz QBEWLMBZPVPOOY-UHFFFAOYSA-N -1 3 324.388 2.760 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCCOc2ccccc2)n1 ZINC000822193262 599319725 /nfs/dbraw/zinc/31/97/25/599319725.db2.gz QBEWLMBZPVPOOY-UHFFFAOYSA-N -1 3 324.388 2.760 20 0 DFADHM CCc1noc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736712718 599327198 /nfs/dbraw/zinc/32/71/98/599327198.db2.gz JYXDBZNUDISPRR-SECBINFHSA-N -1 3 316.390 2.807 20 0 DFADHM CCc1noc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736712718 599327201 /nfs/dbraw/zinc/32/72/01/599327201.db2.gz JYXDBZNUDISPRR-SECBINFHSA-N -1 3 316.390 2.807 20 0 DFADHM CCCNC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736479121 599331041 /nfs/dbraw/zinc/33/10/41/599331041.db2.gz APZJKWRTSADEPG-QWRGUYRKSA-N -1 3 319.434 2.576 20 0 DFADHM CCCNC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736479121 599331044 /nfs/dbraw/zinc/33/10/44/599331044.db2.gz APZJKWRTSADEPG-QWRGUYRKSA-N -1 3 319.434 2.576 20 0 DFADHM CCCNC(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736479122 599330890 /nfs/dbraw/zinc/33/08/90/599330890.db2.gz APZJKWRTSADEPG-WDEREUQCSA-N -1 3 319.434 2.576 20 0 DFADHM CCCNC(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736479122 599330892 /nfs/dbraw/zinc/33/08/92/599330892.db2.gz APZJKWRTSADEPG-WDEREUQCSA-N -1 3 319.434 2.576 20 0 DFADHM Cc1cnc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000822394858 607375239 /nfs/dbraw/zinc/37/52/39/607375239.db2.gz KPIVJTOIJFZDHR-UHFFFAOYSA-N -1 3 314.349 2.562 20 0 DFADHM Cc1cnc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000822394858 607375241 /nfs/dbraw/zinc/37/52/41/607375241.db2.gz KPIVJTOIJFZDHR-UHFFFAOYSA-N -1 3 314.349 2.562 20 0 DFADHM CC(C)CCOCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735820441 599417992 /nfs/dbraw/zinc/41/79/92/599417992.db2.gz SDFJWWCMMZLNJT-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM CC(C)CCOCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735820441 599417993 /nfs/dbraw/zinc/41/79/93/599417993.db2.gz SDFJWWCMMZLNJT-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM c1cc(-c2nnn[n-]2)oc1CN[C@@H]1CSCc2ccccc21 ZINC000823802647 599418581 /nfs/dbraw/zinc/41/85/81/599418581.db2.gz WKUQPSXPOCNBOL-CYBMUJFWSA-N -1 3 313.386 2.537 20 0 DFADHM c1cc(-c2nn[n-]n2)oc1CN[C@@H]1CSCc2ccccc21 ZINC000823802647 599418584 /nfs/dbraw/zinc/41/85/84/599418584.db2.gz WKUQPSXPOCNBOL-CYBMUJFWSA-N -1 3 313.386 2.537 20 0 DFADHM CCOc1cccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821426887 599419953 /nfs/dbraw/zinc/41/99/53/599419953.db2.gz JMNGJNMUJWWLIE-LLVKDONJSA-N -1 3 313.361 2.709 20 0 DFADHM CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820860800 599422603 /nfs/dbraw/zinc/42/26/03/599422603.db2.gz KQYXBODBTNRXKP-TUAOUCFPSA-N -1 3 316.409 2.662 20 0 DFADHM CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820860800 599422605 /nfs/dbraw/zinc/42/26/05/599422605.db2.gz KQYXBODBTNRXKP-TUAOUCFPSA-N -1 3 316.409 2.662 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1cc(C)ccc1F ZINC000821749511 607378454 /nfs/dbraw/zinc/37/84/54/607378454.db2.gz PSLQBGQVMIOQIP-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1cc(C)ccc1F ZINC000821749511 607378456 /nfs/dbraw/zinc/37/84/56/607378456.db2.gz PSLQBGQVMIOQIP-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM Clc1cccc(C2(NCc3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC000822586246 599446535 /nfs/dbraw/zinc/44/65/35/599446535.db2.gz VENUXHTVAYGQGJ-UHFFFAOYSA-N -1 3 315.764 2.892 20 0 DFADHM Clc1cccc(C2(NCc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000822586246 599446537 /nfs/dbraw/zinc/44/65/37/599446537.db2.gz VENUXHTVAYGQGJ-UHFFFAOYSA-N -1 3 315.764 2.892 20 0 DFADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC000736235042 599471999 /nfs/dbraw/zinc/47/19/99/599471999.db2.gz LOIFUCFFMIXRFZ-SMDDNHRTSA-N -1 3 324.363 2.783 20 0 DFADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC000736235042 599472001 /nfs/dbraw/zinc/47/20/01/599472001.db2.gz LOIFUCFFMIXRFZ-SMDDNHRTSA-N -1 3 324.363 2.783 20 0 DFADHM Cc1occc1CNc1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000822552503 599490435 /nfs/dbraw/zinc/49/04/35/599490435.db2.gz BRZSCRMIHRPHSY-UHFFFAOYSA-N -1 3 320.356 2.659 20 0 DFADHM Cc1occc1CNc1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000822552503 599490438 /nfs/dbraw/zinc/49/04/38/599490438.db2.gz BRZSCRMIHRPHSY-UHFFFAOYSA-N -1 3 320.356 2.659 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](C)C1 ZINC000822204426 599513993 /nfs/dbraw/zinc/51/39/93/599513993.db2.gz OOBKXNPRMOFDDM-VIFPVBQESA-N -1 3 312.352 2.709 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](C)C1 ZINC000822204426 599513996 /nfs/dbraw/zinc/51/39/96/599513996.db2.gz OOBKXNPRMOFDDM-VIFPVBQESA-N -1 3 312.352 2.709 20 0 DFADHM Cc1cc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)no1 ZINC000737264416 599522721 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CN(C(=O)[C@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812564 607441294 /nfs/dbraw/zinc/44/12/94/607441294.db2.gz NABQOWMKMPLIGK-INIZCTEOSA-N -1 3 319.368 2.560 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)N2CCCCCC2)cccc1C(=O)[O-] ZINC000738299887 600405654 /nfs/dbraw/zinc/40/56/54/600405654.db2.gz QEAVKJHSGRNTLT-CYBMUJFWSA-N -1 3 304.390 2.896 20 0 DFADHM CCCCS[C@@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825296438 607441567 /nfs/dbraw/zinc/44/15/67/607441567.db2.gz IWUPJKKCLOGDIL-NSHDSACASA-N -1 3 319.434 2.751 20 0 DFADHM CCCCS[C@@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825296438 607441569 /nfs/dbraw/zinc/44/15/69/607441569.db2.gz IWUPJKKCLOGDIL-NSHDSACASA-N -1 3 319.434 2.751 20 0 DFADHM Cn1c2cccc(F)c2nc1-c1ccc(-c2nnn[n-]2)cc1F ZINC000822591148 607458341 /nfs/dbraw/zinc/45/83/41/607458341.db2.gz SHIVRPHMIQVYOR-UHFFFAOYSA-N -1 3 312.283 2.699 20 0 DFADHM Cn1c2cccc(F)c2nc1-c1ccc(-c2nn[n-]n2)cc1F ZINC000822591148 607458342 /nfs/dbraw/zinc/45/83/42/607458342.db2.gz 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COc1ccc(C)cc1CN1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739890566 602450450 /nfs/dbraw/zinc/45/04/50/602450450.db2.gz FOXHQMOIAMPIJI-CYBMUJFWSA-N -1 3 306.406 2.872 20 0 DFADHM COc1ccc(CN(C)C[C@@H]2CCCN(C(=O)[O-])C2)c(OC)c1 ZINC000739909788 602451874 /nfs/dbraw/zinc/45/18/74/602451874.db2.gz QRQGVXPTDFXSEW-ZDUSSCGKSA-N -1 3 322.405 2.526 20 0 DFADHM COc1c(C)cnc(CN2CCC([C@H](C)NC(=O)[O-])CC2)c1C ZINC000739847041 602464767 /nfs/dbraw/zinc/46/47/67/602464767.db2.gz WMMFUCFFYIETNT-ZDUSSCGKSA-N -1 3 321.421 2.575 20 0 DFADHM Cc1nc([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000826323912 607569175 /nfs/dbraw/zinc/56/91/75/607569175.db2.gz WZDWPVITVKTIBC-SECBINFHSA-N -1 3 314.418 2.791 20 0 DFADHM CN(C[C@@H]1CCN(CCSc2ccccc2F)C1)C(=O)[O-] ZINC000739666687 602537733 /nfs/dbraw/zinc/53/77/33/602537733.db2.gz UNHNPKDFSRVENG-LBPRGKRZSA-N -1 3 312.410 2.850 20 0 DFADHM CN(C(=O)[O-])C1CCN(CCSc2ccc(F)cc2)CC1 ZINC000737936781 602558076 /nfs/dbraw/zinc/55/80/76/602558076.db2.gz APYAADDETZQXTJ-UHFFFAOYSA-N 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Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1c2ccccc2C[C@H]1C ZINC000826245659 607655118 /nfs/dbraw/zinc/65/51/18/607655118.db2.gz DWJSDAZCYBIGFK-GFCCVEGCSA-N -1 3 319.368 2.767 20 0 DFADHM CC(C)CCOCCNCc1cccc2c1N(C(=O)[O-])CC2 ZINC000824244599 603856301 /nfs/dbraw/zinc/85/63/01/603856301.db2.gz JEGDKQBYTRRGIK-UHFFFAOYSA-N -1 3 306.406 2.879 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2ccc(O)cc2)no1 ZINC000826243328 607658160 /nfs/dbraw/zinc/65/81/60/607658160.db2.gz DCEFWYCMNGKBEF-UHFFFAOYSA-N -1 3 320.312 2.598 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2ccc(O)cc2)no1 ZINC000826243328 607658162 /nfs/dbraw/zinc/65/81/62/607658162.db2.gz DCEFWYCMNGKBEF-UHFFFAOYSA-N -1 3 320.312 2.598 20 0 DFADHM Cc1nc2ccccn2c1CN1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000830791773 603923210 /nfs/dbraw/zinc/92/32/10/603923210.db2.gz BFHYWLYLYHETES-OCCSQVGLSA-N -1 3 316.405 2.653 20 0 DFADHM CN(Cc1cc(Cl)nc(Cl)c1)C1CCN(C(=O)[O-])CC1 ZINC000828350087 603977591 /nfs/dbraw/zinc/97/75/91/603977591.db2.gz AOHHWCPMKIAHCV-UHFFFAOYSA-N -1 3 318.204 2.963 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000826247713 607670563 /nfs/dbraw/zinc/67/05/63/607670563.db2.gz LOOCVRBEKOJNRG-SMDDNHRTSA-N -1 3 313.405 2.731 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000826247713 607670565 /nfs/dbraw/zinc/67/05/65/607670565.db2.gz LOOCVRBEKOJNRG-SMDDNHRTSA-N -1 3 313.405 2.731 20 0 DFADHM CN(C[C@H]1CCCN1Cc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000828229297 604109234 /nfs/dbraw/zinc/10/92/34/604109234.db2.gz BPGFEPPQMBKYAP-GFCCVEGCSA-N -1 3 314.332 2.862 20 0 DFADHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CCOc2ccccc2F)C1 ZINC000825264509 604188294 /nfs/dbraw/zinc/18/82/94/604188294.db2.gz KYWOHSQBGOMYGF-OLZOCXBDSA-N -1 3 310.369 2.573 20 0 DFADHM CC(C)c1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000824347531 607683372 /nfs/dbraw/zinc/68/33/72/607683372.db2.gz CCGHBFQPQICMDF-NSHDSACASA-N -1 3 324.388 2.809 20 0 DFADHM CC(C)c1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000824347531 607683373 /nfs/dbraw/zinc/68/33/73/607683373.db2.gz CCGHBFQPQICMDF-NSHDSACASA-N -1 3 324.388 2.809 20 0 DFADHM CC(C)[C@H](CN[C@H](C)c1cnn(-c2ccccc2)c1)NC(=O)[O-] ZINC000825485906 604333671 /nfs/dbraw/zinc/33/36/71/604333671.db2.gz SIBOIQLTNYWING-CJNGLKHVSA-N -1 3 316.405 2.815 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000826246960 607689715 /nfs/dbraw/zinc/68/97/15/607689715.db2.gz PZDYTXOFYGBMHS-IFUGULHKSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000826246960 607689716 /nfs/dbraw/zinc/68/97/16/607689716.db2.gz PZDYTXOFYGBMHS-IFUGULHKSA-N -1 3 313.405 2.730 20 0 DFADHM CC(C)CCN(CCC(C)C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824249676 607691578 /nfs/dbraw/zinc/69/15/78/607691578.db2.gz RGCFAWYXARYRRK-UHFFFAOYSA-N -1 3 318.425 2.729 20 0 DFADHM CC(C)CCN(CCC(C)C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824249676 607691579 /nfs/dbraw/zinc/69/15/79/607691579.db2.gz RGCFAWYXARYRRK-UHFFFAOYSA-N -1 3 318.425 2.729 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000826243956 607694710 /nfs/dbraw/zinc/69/47/10/607694710.db2.gz BTAMHYUXGWTDKA-YPMHNXCESA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000826243956 607694711 /nfs/dbraw/zinc/69/47/11/607694711.db2.gz BTAMHYUXGWTDKA-YPMHNXCESA-N -1 3 313.405 2.826 20 0 DFADHM Cc1nc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000826324042 607702587 /nfs/dbraw/zinc/70/25/87/607702587.db2.gz BVDIXSHNWSFIBP-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM Cc1nc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000826324042 607702589 /nfs/dbraw/zinc/70/25/89/607702589.db2.gz BVDIXSHNWSFIBP-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCCCC1(C)C ZINC000826247135 607703273 /nfs/dbraw/zinc/70/32/73/607703273.db2.gz UYCMRBJLAIOOKD-CQSZACIVSA-N -1 3 313.405 2.874 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCCCC1(C)C ZINC000826247135 607703274 /nfs/dbraw/zinc/70/32/74/607703274.db2.gz 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CCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830063862 604989031 /nfs/dbraw/zinc/98/90/31/604989031.db2.gz KUYHFJYYQBULPQ-MLGOLLRUSA-N -1 3 300.358 2.957 20 0 DFADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccccc1-n1cccn1 ZINC000827718446 605007126 /nfs/dbraw/zinc/00/71/26/605007126.db2.gz SHHDOCJRFNQMTI-CXAGYDPISA-N -1 3 322.368 2.744 20 0 DFADHM CSCc1cc(F)ccc1CN[C@@H](C(=O)[O-])c1cccnc1 ZINC000832770794 605007534 /nfs/dbraw/zinc/00/75/34/605007534.db2.gz GRYGRXFVGWGNCT-OAHLLOKOSA-N -1 3 320.389 2.999 20 0 DFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](Oc2cccnc2)C1 ZINC000833545924 605043756 /nfs/dbraw/zinc/04/37/56/605043756.db2.gz CFSHPDOZSKPUOY-AAEUAGOBSA-N -1 3 302.330 2.587 20 0 DFADHM C[C@]1(NCc2nnc(-c3ccccc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833570319 605067155 /nfs/dbraw/zinc/06/71/55/605067155.db2.gz QWZSDFZUOFLOGS-GUYCJALGSA-N -1 3 315.373 2.860 20 0 DFADHM CC(C)COC[C@H](NC1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000824275240 605196479 /nfs/dbraw/zinc/19/64/79/605196479.db2.gz 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ZINC000834212780 605602108 /nfs/dbraw/zinc/60/21/08/605602108.db2.gz INWORTKZVUKTGV-HIFRSBDPSA-N -1 3 315.373 2.868 20 0 DFADHM CCOc1cc(CN2CC[C@@H](NC(=O)[O-])C[C@H]2C)ccc1OC ZINC000833861007 605681456 /nfs/dbraw/zinc/68/14/56/605681456.db2.gz DPNLHJXGKHNSJY-TZMCWYRMSA-N -1 3 322.405 2.714 20 0 DFADHM C[C@H]1C[C@H](CNC(=O)[O-])CN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000833834395 605685135 /nfs/dbraw/zinc/68/51/35/605685135.db2.gz OAWODDMYLWZYPR-QWHCGFSZSA-N -1 3 314.389 2.555 20 0 DFADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000830308141 605767604 /nfs/dbraw/zinc/76/76/04/605767604.db2.gz GNLBLGCWFWFLCQ-HNNXBMFYSA-N -1 3 321.421 2.677 20 0 DFADHM O=C([O-])N[C@H]1C[C@H](NCc2cccc(CO)c2)c2ccccc21 ZINC000834159259 605798516 /nfs/dbraw/zinc/79/85/16/605798516.db2.gz RNSQCYRUPGXLPP-IRXDYDNUSA-N -1 3 312.369 2.722 20 0 DFADHM Cc1ccc([C@H](O)CN[C@@H]2C[C@H](NC(=O)[O-])c3ccccc32)o1 ZINC000833905694 605798967 /nfs/dbraw/zinc/79/89/67/605798967.db2.gz XLKUUYKOEWWVNX-QLFBSQMISA-N -1 3 316.357 2.665 20 0 DFADHM O=C([O-])N[C@H](CN[C@@H]1CCCOc2cc(F)ccc21)C1CC1 ZINC000834151700 605913732 /nfs/dbraw/zinc/91/37/32/605913732.db2.gz VVHRHNQPDUITRM-ZIAGYGMSSA-N -1 3 308.353 2.675 20 0 DFADHM CCN(CCCN[C@@H](C)c1nc2ccccc2n1C)C(=O)[O-] ZINC000833857480 605944171 /nfs/dbraw/zinc/94/41/71/605944171.db2.gz JGAFLHWKAVXREH-LBPRGKRZSA-N -1 3 304.394 2.614 20 0 DFADHM O=C([O-])NC[C@@H](NC[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000834208955 605974767 /nfs/dbraw/zinc/97/47/67/605974767.db2.gz ZOPWOIFUMAZHNZ-DLBZAZTESA-N -1 3 314.385 2.917 20 0 DFADHM CCCOc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821134498 606046242 /nfs/dbraw/zinc/04/62/42/606046242.db2.gz XYOKPSUTWHZDOT-UHFFFAOYSA-N -1 3 310.361 2.663 20 0 DFADHM CCCOc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821134498 606046247 /nfs/dbraw/zinc/04/62/47/606046247.db2.gz XYOKPSUTWHZDOT-UHFFFAOYSA-N -1 3 310.361 2.663 20 0 DFADHM C[C@@H](c1cc(F)ccc1F)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC000820555302 606049419 /nfs/dbraw/zinc/04/94/19/606049419.db2.gz IRIPCXATVMPNFV-VIFPVBQESA-N -1 3 316.315 2.737 20 0 DFADHM C[C@@H](c1cc(F)ccc1F)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC000820555302 606049423 /nfs/dbraw/zinc/04/94/23/606049423.db2.gz IRIPCXATVMPNFV-VIFPVBQESA-N -1 3 316.315 2.737 20 0 DFADHM Clc1cccc(CCCNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822585500 606064711 /nfs/dbraw/zinc/06/47/11/606064711.db2.gz BAUJCTHAZHZTIK-UHFFFAOYSA-N -1 3 314.780 2.960 20 0 DFADHM Clc1cccc(CCCNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822585500 606064716 /nfs/dbraw/zinc/06/47/16/606064716.db2.gz BAUJCTHAZHZTIK-UHFFFAOYSA-N -1 3 314.780 2.960 20 0 DFADHM Cc1ccccc1C1(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822350733 606069197 /nfs/dbraw/zinc/06/91/97/606069197.db2.gz GIVOFYQGEXNTCD-UHFFFAOYSA-N -1 3 306.373 2.714 20 0 DFADHM Cc1ccccc1C1(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000822350733 606069202 /nfs/dbraw/zinc/06/92/02/606069202.db2.gz GIVOFYQGEXNTCD-UHFFFAOYSA-N -1 3 306.373 2.714 20 0 DFADHM c1ccc2c(c1)CN(c1nc3ccccc3cc1-c1nnn[n-]1)C2 ZINC000823798379 606080681 /nfs/dbraw/zinc/08/06/81/606080681.db2.gz XBXLZBXBPRARNJ-UHFFFAOYSA-N -1 3 314.352 2.935 20 0 DFADHM c1ccc2c(c1)CN(c1nc3ccccc3cc1-c1nn[n-]n1)C2 ZINC000823798379 606080686 /nfs/dbraw/zinc/08/06/86/606080686.db2.gz XBXLZBXBPRARNJ-UHFFFAOYSA-N -1 3 314.352 2.935 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC[C@H]1c1ccccc1 ZINC000820767134 606090605 /nfs/dbraw/zinc/09/06/05/606090605.db2.gz GKZCXNUGYDKBCE-XJKSGUPXSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC[C@H]1c1ccccc1 ZINC000820767134 606090608 /nfs/dbraw/zinc/09/06/08/606090608.db2.gz GKZCXNUGYDKBCE-XJKSGUPXSA-N -1 3 320.400 2.892 20 0 DFADHM Cc1cnc([C@H](Nc2ccc(-c3nnn[n-]3)nc2)C2CC2)s1 ZINC000822389033 606093224 /nfs/dbraw/zinc/09/32/24/606093224.db2.gz JFOLVJBGVOGVOJ-GFCCVEGCSA-N -1 3 313.390 2.590 20 0 DFADHM Cc1cnc([C@H](Nc2ccc(-c3nn[n-]n3)nc2)C2CC2)s1 ZINC000822389033 606093230 /nfs/dbraw/zinc/09/32/30/606093230.db2.gz JFOLVJBGVOGVOJ-GFCCVEGCSA-N -1 3 313.390 2.590 20 0 DFADHM CSC(C)(C)CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821951313 606097213 /nfs/dbraw/zinc/09/72/13/606097213.db2.gz WIZSGMHAQAJHEY-UHFFFAOYSA-N -1 3 314.418 2.968 20 0 DFADHM CSC(C)(C)CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821951313 606097216 /nfs/dbraw/zinc/09/72/16/606097216.db2.gz WIZSGMHAQAJHEY-UHFFFAOYSA-N -1 3 314.418 2.968 20 0 DFADHM CSc1ccc(F)cc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000821983825 606097333 /nfs/dbraw/zinc/09/73/33/606097333.db2.gz JTTNPKVCDCJLHP-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM CSc1ccc(F)cc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000821983825 606097335 /nfs/dbraw/zinc/09/73/35/606097335.db2.gz JTTNPKVCDCJLHP-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM c1ccc2nc(N[C@H]3CCCSC3)c(-c3nnn[n-]3)cc2c1 ZINC000823802189 606099783 /nfs/dbraw/zinc/09/97/83/606099783.db2.gz IWYMDPOFDQCSHH-NSHDSACASA-N -1 3 312.402 2.722 20 0 DFADHM c1ccc2nc(N[C@H]3CCCSC3)c(-c3nn[n-]n3)cc2c1 ZINC000823802189 606099786 /nfs/dbraw/zinc/09/97/86/606099786.db2.gz IWYMDPOFDQCSHH-NSHDSACASA-N -1 3 312.402 2.722 20 0 DFADHM COC1CCC(CNc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000821680017 606103456 /nfs/dbraw/zinc/10/34/56/606103456.db2.gz WKMOFEPLFDDTQW-UHFFFAOYSA-N -1 3 322.800 2.532 20 0 DFADHM COC1CCC(CNc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821680017 606103457 /nfs/dbraw/zinc/10/34/57/606103457.db2.gz WKMOFEPLFDDTQW-UHFFFAOYSA-N -1 3 322.800 2.532 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000822564104 606105324 /nfs/dbraw/zinc/10/53/24/606105324.db2.gz UEZDEQLENDDIND-AOOOYVTPSA-N -1 3 304.785 2.542 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000822564104 606105325 /nfs/dbraw/zinc/10/53/25/606105325.db2.gz UEZDEQLENDDIND-AOOOYVTPSA-N -1 3 304.785 2.542 20 0 DFADHM CCS[C@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000821456899 606105423 /nfs/dbraw/zinc/10/54/23/606105423.db2.gz SKRCRQLZKJKCON-NEPJUHHUSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000821456899 606105426 /nfs/dbraw/zinc/10/54/26/606105426.db2.gz SKRCRQLZKJKCON-NEPJUHHUSA-N -1 3 304.423 2.738 20 0 DFADHM C[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC000820742326 606114807 /nfs/dbraw/zinc/11/48/07/606114807.db2.gz JKYBXUSYCTYFHG-SNVBAGLBSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC000820742326 606114808 /nfs/dbraw/zinc/11/48/08/606114808.db2.gz JKYBXUSYCTYFHG-SNVBAGLBSA-N -1 3 300.366 2.519 20 0 DFADHM O=C(CC1CCCCCC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000822940933 606126557 /nfs/dbraw/zinc/12/65/57/606126557.db2.gz KOKDUALSJOJXSY-UHFFFAOYSA-N -1 3 300.366 2.561 20 0 DFADHM O=C(CC1CCCCCC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000822940933 606126558 /nfs/dbraw/zinc/12/65/58/606126558.db2.gz KOKDUALSJOJXSY-UHFFFAOYSA-N -1 3 300.366 2.561 20 0 DFADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1ncccc1-c1nnn[n-]1 ZINC000820643419 606138570 /nfs/dbraw/zinc/13/85/70/606138570.db2.gz VYQPDJDUABHZBB-HIFRSBDPSA-N -1 3 320.400 2.719 20 0 DFADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1ncccc1-c1nn[n-]n1 ZINC000820643419 606138571 /nfs/dbraw/zinc/13/85/71/606138571.db2.gz VYQPDJDUABHZBB-HIFRSBDPSA-N -1 3 320.400 2.719 20 0 DFADHM CCO[C@@H](CCNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC000821351516 606143588 /nfs/dbraw/zinc/14/35/88/606143588.db2.gz RUNXBTMYFKOOAJ-AWEZNQCLSA-N -1 3 316.409 2.659 20 0 DFADHM CCO[C@@H](CCNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC000821351516 606143589 /nfs/dbraw/zinc/14/35/89/606143589.db2.gz RUNXBTMYFKOOAJ-AWEZNQCLSA-N -1 3 316.409 2.659 20 0 DFADHM CCc1cnc(CN(C)Cc2ccccc2-c2nnn[n-]2)s1 ZINC000821497756 606159817 /nfs/dbraw/zinc/15/98/17/606159817.db2.gz ZJIPTYDJGVDFEE-UHFFFAOYSA-N -1 3 314.418 2.518 20 0 DFADHM CCc1cnc(CN(C)Cc2ccccc2-c2nn[n-]n2)s1 ZINC000821497756 606159819 /nfs/dbraw/zinc/15/98/19/606159819.db2.gz ZJIPTYDJGVDFEE-UHFFFAOYSA-N -1 3 314.418 2.518 20 0 DFADHM CCc1cnc(CN(C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821497776 606164504 /nfs/dbraw/zinc/16/45/04/606164504.db2.gz ZZLTWJXVJWKZFQ-UHFFFAOYSA-N -1 3 300.391 2.522 20 0 DFADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OC1CCC1 ZINC000822955015 606170369 /nfs/dbraw/zinc/17/03/69/606170369.db2.gz IQBBBFIJSCMPDC-UHFFFAOYSA-N -1 3 316.361 2.512 20 0 DFADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OC1CCC1 ZINC000822955015 606170372 /nfs/dbraw/zinc/17/03/72/606170372.db2.gz IQBBBFIJSCMPDC-UHFFFAOYSA-N -1 3 316.361 2.512 20 0 DFADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000822650626 606207761 /nfs/dbraw/zinc/20/77/61/606207761.db2.gz XAZUNENEHDBCGJ-UHFFFAOYSA-N -1 3 324.388 2.755 20 0 DFADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000822650626 606207762 /nfs/dbraw/zinc/20/77/62/606207762.db2.gz XAZUNENEHDBCGJ-UHFFFAOYSA-N -1 3 324.388 2.755 20 0 DFADHM COc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1OC ZINC000821835517 606213162 /nfs/dbraw/zinc/21/31/62/606213162.db2.gz MAOJBEAYOXTWNF-UHFFFAOYSA-N -1 3 317.374 2.558 20 0 DFADHM COc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1OC ZINC000821835517 606213164 /nfs/dbraw/zinc/21/31/64/606213164.db2.gz MAOJBEAYOXTWNF-UHFFFAOYSA-N -1 3 317.374 2.558 20 0 DFADHM CCOc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821437120 606220186 /nfs/dbraw/zinc/22/01/86/606220186.db2.gz JFCMDVZIRBIHBR-UHFFFAOYSA-N -1 3 301.375 2.939 20 0 DFADHM CCOc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821437120 606220187 /nfs/dbraw/zinc/22/01/87/606220187.db2.gz JFCMDVZIRBIHBR-UHFFFAOYSA-N -1 3 301.375 2.939 20 0 DFADHM C[C@@]1(CNc2c(Cl)cccc2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623567 606242910 /nfs/dbraw/zinc/24/29/10/606242910.db2.gz VADHGMBXQLCHFP-DOMZBBRYSA-N -1 3 321.812 2.873 20 0 DFADHM C[C@@]1(CNc2c(Cl)cccc2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623567 606242911 /nfs/dbraw/zinc/24/29/11/606242911.db2.gz VADHGMBXQLCHFP-DOMZBBRYSA-N -1 3 321.812 2.873 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000819958883 606244823 /nfs/dbraw/zinc/24/48/23/606244823.db2.gz SAXBXKISNODMED-UHFFFAOYSA-N -1 3 310.361 2.745 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000819958883 606244825 /nfs/dbraw/zinc/24/48/25/606244825.db2.gz SAXBXKISNODMED-UHFFFAOYSA-N -1 3 310.361 2.745 20 0 DFADHM Cc1ccc([C@@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(C)c1 ZINC000822229192 606254422 /nfs/dbraw/zinc/25/44/22/606254422.db2.gz OSKONYWOAWMAJT-GFCCVEGCSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1ccc([C@@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(C)c1 ZINC000822229192 606254424 /nfs/dbraw/zinc/25/44/24/606254424.db2.gz OSKONYWOAWMAJT-GFCCVEGCSA-N -1 3 324.388 2.645 20 0 DFADHM CCC1(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)CCC1 ZINC000820949463 606260127 /nfs/dbraw/zinc/26/01/27/606260127.db2.gz AOZBKPVURJWOSO-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCC1(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)CCC1 ZINC000820949463 606260129 /nfs/dbraw/zinc/26/01/29/606260129.db2.gz AOZBKPVURJWOSO-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1CCC1 ZINC000821118055 606281078 /nfs/dbraw/zinc/28/10/78/606281078.db2.gz FYEINLSYFRQVNV-UHFFFAOYSA-N -1 3 314.393 2.817 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820870023 606324379 /nfs/dbraw/zinc/32/43/79/606324379.db2.gz LGXFSUXXIJXMDL-NHAQELONSA-N -1 3 313.405 2.775 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820870023 606324381 /nfs/dbraw/zinc/32/43/81/606324381.db2.gz LGXFSUXXIJXMDL-NHAQELONSA-N -1 3 313.405 2.775 20 0 DFADHM C[C@H](OC(=O)CCC(C)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487527 606342181 /nfs/dbraw/zinc/34/21/81/606342181.db2.gz HULHXIIWUSQNPJ-VIFPVBQESA-N -1 3 310.304 2.906 20 0 DFADHM C[C@H](OC(=O)CCC(C)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487527 606342183 /nfs/dbraw/zinc/34/21/83/606342183.db2.gz HULHXIIWUSQNPJ-VIFPVBQESA-N -1 3 310.304 2.906 20 0 DFADHM C[C@H](CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820489034 606342292 /nfs/dbraw/zinc/34/22/92/606342292.db2.gz YJPHKENWLPUKNE-MNOVXSKESA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H](CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820489034 606342294 /nfs/dbraw/zinc/34/22/94/606342294.db2.gz YJPHKENWLPUKNE-MNOVXSKESA-N -1 3 300.362 2.907 20 0 DFADHM Cc1ccc(O)c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822259369 606346829 /nfs/dbraw/zinc/34/68/29/606346829.db2.gz WOLAXGBHRSFHBK-NSHDSACASA-N -1 3 324.340 2.799 20 0 DFADHM Cc1ccc(O)c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822259369 606346830 /nfs/dbraw/zinc/34/68/30/606346830.db2.gz WOLAXGBHRSFHBK-NSHDSACASA-N -1 3 324.340 2.799 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820710417 606349183 /nfs/dbraw/zinc/34/91/83/606349183.db2.gz QGZLQXVFJOSJPW-SNVBAGLBSA-N -1 3 318.356 2.660 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820710417 606349185 /nfs/dbraw/zinc/34/91/85/606349185.db2.gz QGZLQXVFJOSJPW-SNVBAGLBSA-N -1 3 318.356 2.660 20 0 DFADHM CCCC(C)(C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821007987 606353990 /nfs/dbraw/zinc/35/39/90/606353990.db2.gz GESIJGUIKOMYAE-UHFFFAOYSA-N -1 3 306.345 2.706 20 0 DFADHM CCCC(C)(C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821007987 606353991 /nfs/dbraw/zinc/35/39/91/606353991.db2.gz GESIJGUIKOMYAE-UHFFFAOYSA-N -1 3 306.345 2.706 20 0 DFADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820649066 606362316 /nfs/dbraw/zinc/36/23/16/606362316.db2.gz IGYPRTPTHRCMCA-GXSJLCMTSA-N -1 3 319.434 2.873 20 0 DFADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820649066 606362317 /nfs/dbraw/zinc/36/23/17/606362317.db2.gz IGYPRTPTHRCMCA-GXSJLCMTSA-N -1 3 319.434 2.873 20 0 DFADHM CCCCCC[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821049539 606407729 /nfs/dbraw/zinc/40/77/29/606407729.db2.gz KWGACZOVNDNVLH-LLVKDONJSA-N -1 3 305.382 2.721 20 0 DFADHM CCCCCC[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821049539 606407731 /nfs/dbraw/zinc/40/77/31/606407731.db2.gz KWGACZOVNDNVLH-LLVKDONJSA-N -1 3 305.382 2.721 20 0 DFADHM CN(C(=O)C[C@@H]1C=CCC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569792 606413995 /nfs/dbraw/zinc/41/39/95/606413995.db2.gz VYROBVYYOLLIRU-SNVBAGLBSA-N -1 3 317.780 2.839 20 0 DFADHM CN(C(=O)C[C@@H]1C=CCC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569792 606414000 /nfs/dbraw/zinc/41/40/00/606414000.db2.gz 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304.325 2.795 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820683544 607092680 /nfs/dbraw/zinc/09/26/80/607092680.db2.gz CUHQUTKFLONNKU-ZJUUUORDSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820683544 607092683 /nfs/dbraw/zinc/09/26/83/607092683.db2.gz CUHQUTKFLONNKU-ZJUUUORDSA-N -1 3 303.341 2.771 20 0 DFADHM CC=C(C=CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)CC ZINC000820833375 607119410 /nfs/dbraw/zinc/11/94/10/607119410.db2.gz WJCSVWZHCFZGNS-MJYGYMJXSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)CC ZINC000820833375 607119412 /nfs/dbraw/zinc/11/94/12/607119412.db2.gz WJCSVWZHCFZGNS-MJYGYMJXSA-N -1 3 316.336 2.962 20 0 DFADHM Fc1ccc(N[C@@H]2CCOC3(CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822778975 607130241 /nfs/dbraw/zinc/13/02/41/607130241.db2.gz QDYCNLZBDBPFKE-GFCCVEGCSA-N -1 3 317.368 2.910 20 0 DFADHM Fc1ccc(N[C@@H]2CCOC3(CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822778975 607130243 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CCCc1nc(COc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000821143387 607138066 /nfs/dbraw/zinc/13/80/66/607138066.db2.gz UMBNQNXEGAGLKS-UHFFFAOYSA-N -1 3 319.365 2.994 20 0 DFADHM Clc1ncc(CSc2cc(-c3nnn[n-]3)ccn2)s1 ZINC000822591476 607143001 /nfs/dbraw/zinc/14/30/01/607143001.db2.gz SSZUANGYJSUNBD-UHFFFAOYSA-N -1 3 310.795 2.664 20 0 DFADHM Clc1ncc(CSc2cc(-c3nn[n-]n3)ccn2)s1 ZINC000822591476 607143003 /nfs/dbraw/zinc/14/30/03/607143003.db2.gz SSZUANGYJSUNBD-UHFFFAOYSA-N -1 3 310.795 2.664 20 0 DFADHM CCc1cc(C)c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000821471276 607153477 /nfs/dbraw/zinc/15/34/77/607153477.db2.gz YCFKRWRETKHPMX-UHFFFAOYSA-N -1 3 315.308 2.722 20 0 DFADHM CCc1cc(C)c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000821471276 607153478 /nfs/dbraw/zinc/15/34/78/607153478.db2.gz YCFKRWRETKHPMX-UHFFFAOYSA-N -1 3 315.308 2.722 20 0 DFADHM Fc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822766877 607172444 /nfs/dbraw/zinc/17/24/44/607172444.db2.gz PGWMVRNNKIEPNQ-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCc2cccc(F)c21 ZINC000823308850 607172573 /nfs/dbraw/zinc/17/25/73/607172573.db2.gz LADVOJIKXVAXCD-UHFFFAOYSA-N -1 3 324.319 2.600 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2cccc(F)c21 ZINC000823308850 607172574 /nfs/dbraw/zinc/17/25/74/607172574.db2.gz LADVOJIKXVAXCD-UHFFFAOYSA-N -1 3 324.319 2.600 20 0 DFADHM Fc1cccc2c1N(c1ncc(-c3nnn[n-]3)cc1Cl)CC2 ZINC000822791667 607175936 /nfs/dbraw/zinc/17/59/36/607175936.db2.gz KMDZNJUWZMQDQO-UHFFFAOYSA-N -1 3 316.727 2.748 20 0 DFADHM Fc1cccc2c1N(c1ncc(-c3nn[n-]n3)cc1Cl)CC2 ZINC000822791667 607175937 /nfs/dbraw/zinc/17/59/37/607175937.db2.gz KMDZNJUWZMQDQO-UHFFFAOYSA-N -1 3 316.727 2.748 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)[C@H]1C ZINC000820716853 607196338 /nfs/dbraw/zinc/19/63/38/607196338.db2.gz MBADLZWVXJKKAJ-BDAKNGLRSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)[C@H]1C ZINC000820716853 607196339 /nfs/dbraw/zinc/19/63/39/607196339.db2.gz MBADLZWVXJKKAJ-BDAKNGLRSA-N -1 3 320.784 2.782 20 0 DFADHM CCC(C)(C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820847687 607197439 /nfs/dbraw/zinc/19/74/39/607197439.db2.gz IXRJBJXCJOKLMT-UHFFFAOYSA-N -1 3 308.773 2.830 20 0 DFADHM CCC(C)(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820847687 607197440 /nfs/dbraw/zinc/19/74/40/607197440.db2.gz IXRJBJXCJOKLMT-UHFFFAOYSA-N -1 3 308.773 2.830 20 0 DFADHM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820697544 607199171 /nfs/dbraw/zinc/19/91/71/607199171.db2.gz ITDCRRJRVCAEKS-GZMMTYOYSA-N -1 3 320.784 2.830 20 0 DFADHM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820697544 607199172 /nfs/dbraw/zinc/19/91/72/607199172.db2.gz ITDCRRJRVCAEKS-GZMMTYOYSA-N -1 3 320.784 2.830 20 0 DFADHM CC1(C)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820597044 607200531 /nfs/dbraw/zinc/20/05/31/607200531.db2.gz YDJISYGGEJVDMF-UHFFFAOYSA-N -1 3 320.784 2.784 20 0 DFADHM CC1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820597044 607200532 /nfs/dbraw/zinc/20/05/32/607200532.db2.gz YDJISYGGEJVDMF-UHFFFAOYSA-N -1 3 320.784 2.784 20 0 DFADHM C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820684155 607202469 /nfs/dbraw/zinc/20/24/69/607202469.db2.gz MPNOBGJKGBNVBB-IUCAKERBSA-N -1 3 320.784 2.925 20 0 DFADHM C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820684155 607202470 /nfs/dbraw/zinc/20/24/70/607202470.db2.gz MPNOBGJKGBNVBB-IUCAKERBSA-N -1 3 320.784 2.925 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cccc(Cl)c2)n1 ZINC000822214990 607225708 /nfs/dbraw/zinc/22/57/08/607225708.db2.gz HKJBOEUXKHLCKV-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cccc(Cl)c2)n1 ZINC000822214990 607225709 /nfs/dbraw/zinc/22/57/09/607225709.db2.gz HKJBOEUXKHLCKV-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(c3ccccc3)CC2)n1 ZINC000822215040 607227395 /nfs/dbraw/zinc/22/73/95/607227395.db2.gz JSTJRQRCFFUYMQ-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(c3ccccc3)CC2)n1 ZINC000822215040 607227396 /nfs/dbraw/zinc/22/73/96/607227396.db2.gz JSTJRQRCFFUYMQ-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM CSc1ccc(NCc2ccc(-c3nnn[n-]3)s2)nc1 ZINC000821982753 607228916 /nfs/dbraw/zinc/22/89/16/607228916.db2.gz AKIPVOCOLKZHMT-UHFFFAOYSA-N -1 3 304.404 2.657 20 0 DFADHM Cc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822227254 607246265 /nfs/dbraw/zinc/24/62/65/607246265.db2.gz AZLFJJSUJWZUCG-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Cc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822227254 607246266 /nfs/dbraw/zinc/24/62/66/607246266.db2.gz AZLFJJSUJWZUCG-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000823449749 607246456 /nfs/dbraw/zinc/24/64/56/607246456.db2.gz BKMNEFOQHZZIBY-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000823449749 607246457 /nfs/dbraw/zinc/24/64/57/607246457.db2.gz BKMNEFOQHZZIBY-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM CCN(C(=O)c1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386135 607796751 /nfs/dbraw/zinc/79/67/51/607796751.db2.gz YTQPCBLXUYUSCV-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCN(C(=O)c1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386135 607796752 /nfs/dbraw/zinc/79/67/52/607796752.db2.gz YTQPCBLXUYUSCV-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM Fc1cccc(N2CCC(c3ccccn3)CC2)c1-c1nnn[n-]1 ZINC000826377115 607820321 /nfs/dbraw/zinc/82/03/21/607820321.db2.gz FRROZJHODPNVPL-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1cccc(N2CCC(c3ccccn3)CC2)c1-c1nn[n-]n1 ZINC000826377115 607820322 /nfs/dbraw/zinc/82/03/22/607820322.db2.gz FRROZJHODPNVPL-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM CC1(C)C[C@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824789841 607821249 /nfs/dbraw/zinc/82/12/49/607821249.db2.gz JQDGUTRBQIXXKH-GFCCVEGCSA-N -1 3 324.388 2.784 20 0 DFADHM CC1(C)C[C@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824789841 607821250 /nfs/dbraw/zinc/82/12/50/607821250.db2.gz JQDGUTRBQIXXKH-GFCCVEGCSA-N -1 3 324.388 2.784 20 0 DFADHM COc1ccc([C@@H]2CCCN2c2cnccc2-c2nnn[n-]2)cc1 ZINC000826189894 607839109 /nfs/dbraw/zinc/83/91/09/607839109.db2.gz INHLLSREWGFXRH-HNNXBMFYSA-N -1 3 322.372 2.612 20 0 DFADHM COc1ccc([C@@H]2CCCN2c2cnccc2-c2nn[n-]n2)cc1 ZINC000826189894 607839110 /nfs/dbraw/zinc/83/91/10/607839110.db2.gz INHLLSREWGFXRH-HNNXBMFYSA-N -1 3 322.372 2.612 20 0 DFADHM O[C@@H](COc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505065 607869664 /nfs/dbraw/zinc/86/96/64/607869664.db2.gz LDHOMGGXYVCOED-AWEZNQCLSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@@H](COc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505065 607869665 /nfs/dbraw/zinc/86/96/65/607869665.db2.gz LDHOMGGXYVCOED-AWEZNQCLSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@H](COc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000826504707 607870387 /nfs/dbraw/zinc/87/03/87/607870387.db2.gz BMBJMGHJMWCVPP-CYBMUJFWSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@H](COc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000826504707 607870388 /nfs/dbraw/zinc/87/03/88/607870388.db2.gz BMBJMGHJMWCVPP-CYBMUJFWSA-N -1 3 316.748 2.633 20 0 DFADHM Cc1ccc([C@@H](O)COc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826283879 607876589 /nfs/dbraw/zinc/87/65/89/607876589.db2.gz DJHSJXSLIOBQQQ-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccnc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826308536 607880738 /nfs/dbraw/zinc/88/07/38/607880738.db2.gz DWGAISFEEDVBJU-NSHDSACASA-N -1 3 312.402 2.960 20 0 DFADHM Cc1ccnc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826308536 607880739 /nfs/dbraw/zinc/88/07/39/607880739.db2.gz DWGAISFEEDVBJU-NSHDSACASA-N -1 3 312.402 2.960 20 0 DFADHM FC(F)(F)COc1ccc(Cn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000826368018 607890433 /nfs/dbraw/zinc/89/04/33/607890433.db2.gz YNEXCHNRCMSSGR-UHFFFAOYSA-N -1 3 323.278 2.658 20 0 DFADHM FC(F)(F)COc1ccc(Cn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000826368018 607890434 /nfs/dbraw/zinc/89/04/34/607890434.db2.gz YNEXCHNRCMSSGR-UHFFFAOYSA-N -1 3 323.278 2.658 20 0 DFADHM CC[C@@H](C)c1ccc(NC(=O)Cn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000825076471 607891630 /nfs/dbraw/zinc/89/16/30/607891630.db2.gz VRCXKRKMUOEQGM-GFCCVEGCSA-N -1 3 324.388 2.820 20 0 DFADHM CC[C@@H](C)c1ccc(NC(=O)Cn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000825076471 607891631 /nfs/dbraw/zinc/89/16/31/607891631.db2.gz VRCXKRKMUOEQGM-GFCCVEGCSA-N -1 3 324.388 2.820 20 0 DFADHM Cc1ccccc1-c1cnc(Cn2ccc(-c3nnn[n-]3)c2)o1 ZINC000826305383 607892624 /nfs/dbraw/zinc/89/26/24/607892624.db2.gz UTFNHKMPJCEGKD-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1ccccc1-c1cnc(Cn2ccc(-c3nn[n-]n3)c2)o1 ZINC000826305383 607892625 /nfs/dbraw/zinc/89/26/25/607892625.db2.gz UTFNHKMPJCEGKD-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM CC[C@H](C)CSCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825067801 607893179 /nfs/dbraw/zinc/89/31/79/607893179.db2.gz NGJVEBIYMBJMIS-JTQLQIEISA-N -1 3 320.418 2.933 20 0 DFADHM CC[C@H](C)CSCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825067801 607893180 /nfs/dbraw/zinc/89/31/80/607893180.db2.gz NGJVEBIYMBJMIS-JTQLQIEISA-N -1 3 320.418 2.933 20 0 DFADHM Cc1cccc(COc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000826298153 607933190 /nfs/dbraw/zinc/93/31/90/607933190.db2.gz GKYUCIWUENJRLS-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1cccc(COc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000826298153 607933191 /nfs/dbraw/zinc/93/31/91/607933191.db2.gz GKYUCIWUENJRLS-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCc3c(F)cccc3C2)n1 ZINC000826262504 607936706 /nfs/dbraw/zinc/93/67/06/607936706.db2.gz QUZPALLHEABESN-UHFFFAOYSA-N -1 3 324.363 2.580 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCc3c(F)cccc3C2)n1 ZINC000826262504 607936707 /nfs/dbraw/zinc/93/67/07/607936707.db2.gz QUZPALLHEABESN-UHFFFAOYSA-N -1 3 324.363 2.580 20 0 DFADHM CS[C@@H](C)CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826224927 607944884 /nfs/dbraw/zinc/94/48/84/607944884.db2.gz PBHTYVIONTZPJM-VHSXEESVSA-N -1 3 306.391 2.613 20 0 DFADHM CS[C@@H](C)CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826224927 607944885 /nfs/dbraw/zinc/94/48/85/607944885.db2.gz PBHTYVIONTZPJM-VHSXEESVSA-N -1 3 306.391 2.613 20 0 DFADHM Cc1cccc(C)c1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826297113 607948627 /nfs/dbraw/zinc/94/86/27/607948627.db2.gz VSOSKOWLOYJVNR-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM Cc1cccc(C)c1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826297113 607948628 /nfs/dbraw/zinc/94/86/28/607948628.db2.gz VSOSKOWLOYJVNR-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1F ZINC000826282131 607950069 /nfs/dbraw/zinc/95/00/69/607950069.db2.gz ZGTBBELPIWMEIJ-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1F ZINC000826282131 607950070 /nfs/dbraw/zinc/95/00/70/607950070.db2.gz ZGTBBELPIWMEIJ-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM Cc1ccc(F)cc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826289527 607951770 /nfs/dbraw/zinc/95/17/70/607951770.db2.gz DILSCRQJTUSEFA-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM Cc1ccc(F)cc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826289527 607951771 /nfs/dbraw/zinc/95/17/71/607951771.db2.gz DILSCRQJTUSEFA-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM CC(C)(C)CCCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824087614 607952357 /nfs/dbraw/zinc/95/23/57/607952357.db2.gz ZIQRVMJMLIZDQG-UHFFFAOYSA-N -1 3 313.405 2.972 20 0 DFADHM CC(C)(C)CCCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824087614 607952358 /nfs/dbraw/zinc/95/23/58/607952358.db2.gz ZIQRVMJMLIZDQG-UHFFFAOYSA-N -1 3 313.405 2.972 20 0 DFADHM C[C@@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)C1CCCC1 ZINC000824039638 607952378 /nfs/dbraw/zinc/95/23/78/607952378.db2.gz GFRZXSMKVIIFLV-LLVKDONJSA-N -1 3 311.389 2.582 20 0 DFADHM C[C@@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)C1CCCC1 ZINC000824039638 607952379 /nfs/dbraw/zinc/95/23/79/607952379.db2.gz GFRZXSMKVIIFLV-LLVKDONJSA-N -1 3 311.389 2.582 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824228397 607954672 /nfs/dbraw/zinc/95/46/72/607954672.db2.gz HYNZVAWPGAJQQM-GFCCVEGCSA-N -1 3 313.405 2.828 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824228397 607954673 /nfs/dbraw/zinc/95/46/73/607954673.db2.gz HYNZVAWPGAJQQM-GFCCVEGCSA-N -1 3 313.405 2.828 20 0 DFADHM CC(C)(COC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC000824162824 607955427 /nfs/dbraw/zinc/95/54/27/607955427.db2.gz PNFSOJFJIZUECE-UHFFFAOYSA-N -1 3 303.366 2.568 20 0 DFADHM Cc1oc(C)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826340510 607961127 /nfs/dbraw/zinc/96/11/27/607961127.db2.gz ATELHERNTOJVGT-UHFFFAOYSA-N -1 3 312.329 2.742 20 0 DFADHM Cc1oc(C)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826340510 607961128 /nfs/dbraw/zinc/96/11/28/607961128.db2.gz ATELHERNTOJVGT-UHFFFAOYSA-N -1 3 312.329 2.742 20 0 DFADHM Fc1cc(OCc2csc(C3CC3)n2)ccc1-c1nnn[n-]1 ZINC000826372868 607966194 /nfs/dbraw/zinc/96/61/94/607966194.db2.gz OSRPWORZIMSAPB-UHFFFAOYSA-N -1 3 317.349 2.919 20 0 DFADHM Fc1cc(OCc2csc(C3CC3)n2)ccc1-c1nn[n-]n1 ZINC000826372868 607966195 /nfs/dbraw/zinc/96/61/95/607966195.db2.gz OSRPWORZIMSAPB-UHFFFAOYSA-N -1 3 317.349 2.919 20 0 DFADHM C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824948702 607986864 /nfs/dbraw/zinc/98/68/64/607986864.db2.gz VBUGAACRBGIEOW-SECBINFHSA-N -1 3 322.210 2.866 20 0 DFADHM Cc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1O ZINC000826298733 607999669 /nfs/dbraw/zinc/99/96/69/607999669.db2.gz FUVZWDHTRJHXKU-KTKRTIGZSA-N -1 3 321.340 2.533 20 0 DFADHM Cc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1O ZINC000826298733 607999670 /nfs/dbraw/zinc/99/96/70/607999670.db2.gz FUVZWDHTRJHXKU-KTKRTIGZSA-N -1 3 321.340 2.533 20 0 DFADHM O=C(Nc1cncc2ccccc21)c1sccc1-c1nnn[n-]1 ZINC000826459300 608004537 /nfs/dbraw/zinc/00/45/37/608004537.db2.gz DVHZAYRBYWIYDD-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1cncc2ccccc21)c1sccc1-c1nn[n-]n1 ZINC000826459300 608004538 /nfs/dbraw/zinc/00/45/38/608004538.db2.gz DVHZAYRBYWIYDD-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM C[C@H]1CSC(SCc2cc(-c3nnn[n-]3)ccc2F)=N1 ZINC000825014470 608014038 /nfs/dbraw/zinc/01/40/38/608014038.db2.gz VZLADNJEEBNZCR-ZETCQYMHSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@H]1CSC(SCc2cc(-c3nn[n-]n3)ccc2F)=N1 ZINC000825014470 608014039 /nfs/dbraw/zinc/01/40/39/608014039.db2.gz VZLADNJEEBNZCR-ZETCQYMHSA-N -1 3 309.395 2.730 20 0 DFADHM Clc1cc(-c2nnn[n-]2)ccc1OCc1ncc(C2CC2)o1 ZINC000826350905 608023105 /nfs/dbraw/zinc/02/31/05/608023105.db2.gz PLMZFUMXPKWSGR-UHFFFAOYSA-N -1 3 317.736 2.965 20 0 DFADHM Clc1cc(-c2nn[n-]n2)ccc1OCc1ncc(C2CC2)o1 ZINC000826350905 608023106 /nfs/dbraw/zinc/02/31/06/608023106.db2.gz PLMZFUMXPKWSGR-UHFFFAOYSA-N -1 3 317.736 2.965 20 0 DFADHM CC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000825200411 608050706 /nfs/dbraw/zinc/05/07/06/608050706.db2.gz BQKUSNFHSADCGF-SECBINFHSA-N -1 3 322.210 2.866 20 0 DFADHM CCC(CC)[C@H](C)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825096468 608054060 /nfs/dbraw/zinc/05/40/60/608054060.db2.gz NZEVHGTYXLWCBL-LBPRGKRZSA-N -1 3 315.421 2.897 20 0 DFADHM CCC(CC)[C@H](C)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825096468 608054061 /nfs/dbraw/zinc/05/40/61/608054061.db2.gz NZEVHGTYXLWCBL-LBPRGKRZSA-N -1 3 315.421 2.897 20 0 DFADHM CCC[C@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825225096 608120498 /nfs/dbraw/zinc/12/04/98/608120498.db2.gz LKBLQSULWDNYJK-AWEZNQCLSA-N -1 3 301.394 2.902 20 0 DFADHM CCC[C@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825225096 608120499 /nfs/dbraw/zinc/12/04/99/608120499.db2.gz LKBLQSULWDNYJK-AWEZNQCLSA-N -1 3 301.394 2.902 20 0 DFADHM CC(C)c1cnc(CNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824352629 608127932 /nfs/dbraw/zinc/12/79/32/608127932.db2.gz KYUWUBFKVQRDRK-UHFFFAOYSA-N -1 3 314.418 2.736 20 0 DFADHM c1cc(-c2ccn(Cc3cccc(-c4nnn[n-]4)c3)n2)cs1 ZINC000826516412 608152704 /nfs/dbraw/zinc/15/27/04/608152704.db2.gz JVWGSDMKMXNUPO-UHFFFAOYSA-N -1 3 308.370 2.840 20 0 DFADHM c1cc(-c2ccn(Cc3cccc(-c4nn[n-]n4)c3)n2)cs1 ZINC000826516412 608152706 /nfs/dbraw/zinc/15/27/06/608152706.db2.gz JVWGSDMKMXNUPO-UHFFFAOYSA-N -1 3 308.370 2.840 20 0 DFADHM Fc1ccc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826375870 608169214 /nfs/dbraw/zinc/16/92/14/608169214.db2.gz FKUHOEFQFIUKIZ-UHFFFAOYSA-N -1 3 308.276 2.741 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1Sc1nc(C2CC2)ns1 ZINC000826372290 608186507 /nfs/dbraw/zinc/18/65/07/608186507.db2.gz QBENRTWNKHOGBG-UHFFFAOYSA-N -1 3 320.378 2.886 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1Sc1nc(C2CC2)ns1 ZINC000826372290 608186509 /nfs/dbraw/zinc/18/65/09/608186509.db2.gz QBENRTWNKHOGBG-UHFFFAOYSA-N -1 3 320.378 2.886 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC12CCC2 ZINC000824945324 608200172 /nfs/dbraw/zinc/20/01/72/608200172.db2.gz BDASHMHZTHGMJP-SNVBAGLBSA-N -1 3 317.418 2.581 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC12CCC2 ZINC000824945324 608200174 /nfs/dbraw/zinc/20/01/74/608200174.db2.gz BDASHMHZTHGMJP-SNVBAGLBSA-N -1 3 317.418 2.581 20 0 DFADHM Cc1noc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826340114 608207416 /nfs/dbraw/zinc/20/74/16/608207416.db2.gz HYGFVELVZGQCJW-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM Cc1noc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000826340114 608207417 /nfs/dbraw/zinc/20/74/17/608207417.db2.gz HYGFVELVZGQCJW-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM CSCCNc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826229301 608213658 /nfs/dbraw/zinc/21/36/58/608213658.db2.gz YZZJHMHDVIAYFF-UHFFFAOYSA-N -1 3 318.431 2.765 20 0 DFADHM CSCCNc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826229301 608213659 /nfs/dbraw/zinc/21/36/59/608213659.db2.gz YZZJHMHDVIAYFF-UHFFFAOYSA-N -1 3 318.431 2.765 20 0 DFADHM Cc1cccnc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826308329 608226986 /nfs/dbraw/zinc/22/69/86/608226986.db2.gz USBNROIBFZIOKQ-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cccnc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826308329 608226988 /nfs/dbraw/zinc/22/69/88/608226988.db2.gz USBNROIBFZIOKQ-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM c1cc2nc(N[C@@H]3CCCSC3)ccc2cc1-c1nnn[n-]1 ZINC000826518186 608232540 /nfs/dbraw/zinc/23/25/40/608232540.db2.gz DTVQPIXAUMSHFW-GFCCVEGCSA-N -1 3 312.402 2.722 20 0 DFADHM c1cc2nc(N[C@@H]3CCCSC3)ccc2cc1-c1nn[n-]n1 ZINC000826518186 608232542 /nfs/dbraw/zinc/23/25/42/608232542.db2.gz DTVQPIXAUMSHFW-GFCCVEGCSA-N -1 3 312.402 2.722 20 0 DFADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc[nH]1 ZINC000824663091 608234613 /nfs/dbraw/zinc/23/46/13/608234613.db2.gz VQZKMQSXHLDKGR-JTQLQIEISA-N -1 3 305.345 2.916 20 0 DFADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc[nH]1 ZINC000824663091 608234615 /nfs/dbraw/zinc/23/46/15/608234615.db2.gz VQZKMQSXHLDKGR-JTQLQIEISA-N -1 3 305.345 2.916 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825194911 608241209 /nfs/dbraw/zinc/24/12/09/608241209.db2.gz SUBXISNATHHUIH-GXFFZTMASA-N -1 3 300.366 2.662 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825194911 608241211 /nfs/dbraw/zinc/24/12/11/608241211.db2.gz SUBXISNATHHUIH-GXFFZTMASA-N -1 3 300.366 2.662 20 0 DFADHM CC(C)[C@@H]1C[C@@H](Nc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000824215285 608242373 /nfs/dbraw/zinc/24/23/73/608242373.db2.gz 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608270665 /nfs/dbraw/zinc/27/06/65/608270665.db2.gz ODKZFCBFGHINIO-WPRPVWTQSA-N -1 3 321.331 2.548 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825193843 608270666 /nfs/dbraw/zinc/27/06/66/608270666.db2.gz ODKZFCBFGHINIO-WPRPVWTQSA-N -1 3 321.331 2.548 20 0 DFADHM CC[C@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000825204518 608273193 /nfs/dbraw/zinc/27/31/93/608273193.db2.gz RWQJFYNTKODKCM-LBPRGKRZSA-N -1 3 312.421 2.767 20 0 DFADHM CC[C@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000825204518 608273194 /nfs/dbraw/zinc/27/31/94/608273194.db2.gz RWQJFYNTKODKCM-LBPRGKRZSA-N -1 3 312.421 2.767 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC000824947696 608283077 /nfs/dbraw/zinc/28/30/77/608283077.db2.gz QASXBZZMIPSADN-UWVGGRQHSA-N -1 3 318.356 2.516 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC000824947696 608283079 /nfs/dbraw/zinc/28/30/79/608283079.db2.gz QASXBZZMIPSADN-UWVGGRQHSA-N -1 3 318.356 2.516 20 0 DFADHM Cc1ccc(CN(C)c2nc(C)ccc2-c2nnn[n-]2)s1 ZINC000826274582 608283616 /nfs/dbraw/zinc/28/36/16/608283616.db2.gz WIBSBWWEOFJADW-UHFFFAOYSA-N -1 3 300.391 2.576 20 0 DFADHM Cc1ccc(CN(C)c2nc(C)ccc2-c2nn[n-]n2)s1 ZINC000826274582 608283618 /nfs/dbraw/zinc/28/36/18/608283618.db2.gz WIBSBWWEOFJADW-UHFFFAOYSA-N -1 3 300.391 2.576 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCc3ccccc3C2)n1 ZINC000826275637 608288704 /nfs/dbraw/zinc/28/87/04/608288704.db2.gz FVYZNKDYLOEVGK-ZDUSSCGKSA-N -1 3 320.400 2.787 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCc3ccccc3C2)n1 ZINC000826275637 608288707 /nfs/dbraw/zinc/28/87/07/608288707.db2.gz FVYZNKDYLOEVGK-ZDUSSCGKSA-N -1 3 320.400 2.787 20 0 DFADHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1nc(C)ccc1-c1nnn[n-]1 ZINC000825171499 608297496 /nfs/dbraw/zinc/29/74/96/608297496.db2.gz QXIYGAPYTFJAGO-QWHCGFSZSA-N -1 3 316.409 2.576 20 0 DFADHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1nc(C)ccc1-c1nn[n-]n1 ZINC000825171499 608297498 /nfs/dbraw/zinc/29/74/98/608297498.db2.gz QXIYGAPYTFJAGO-QWHCGFSZSA-N 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3 308.407 2.534 20 0 DFADHM Cc1ccncc1[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826315502 608334578 /nfs/dbraw/zinc/33/45/78/608334578.db2.gz LNGDRXVETQHJLV-VIFPVBQESA-N -1 3 315.358 2.550 20 0 DFADHM Cc1ccncc1[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826315502 608334580 /nfs/dbraw/zinc/33/45/80/608334580.db2.gz LNGDRXVETQHJLV-VIFPVBQESA-N -1 3 315.358 2.550 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)c1ccccc1F ZINC000826168114 608370579 /nfs/dbraw/zinc/37/05/79/608370579.db2.gz CKNMTKKOOCLAJH-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)c1ccccc1F ZINC000826168114 608370581 /nfs/dbraw/zinc/37/05/81/608370581.db2.gz CKNMTKKOOCLAJH-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM Clc1cc(Oc2ccc(-c3nnn[n-]3)cc2)nc(C2CC2)n1 ZINC000826351650 608388777 /nfs/dbraw/zinc/38/87/77/608388777.db2.gz UXURYRIWLVAWKB-UHFFFAOYSA-N -1 3 314.736 2.980 20 0 DFADHM Clc1cc(Oc2ccc(-c3nn[n-]n3)cc2)nc(C2CC2)n1 ZINC000826351650 608388779 /nfs/dbraw/zinc/38/87/79/608388779.db2.gz UXURYRIWLVAWKB-UHFFFAOYSA-N -1 3 314.736 2.980 20 0 DFADHM CCN(Cc1ccoc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825439936 608390075 /nfs/dbraw/zinc/39/00/75/608390075.db2.gz UQNOJAUBANZKFR-UHFFFAOYSA-N -1 3 301.325 2.621 20 0 DFADHM CCN(Cc1ccoc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825439936 608390077 /nfs/dbraw/zinc/39/00/77/608390077.db2.gz UQNOJAUBANZKFR-UHFFFAOYSA-N -1 3 301.325 2.621 20 0 DFADHM Fc1c(CSCc2nccs2)cccc1-c1nnn[n-]1 ZINC000826370920 608404748 /nfs/dbraw/zinc/40/47/48/608404748.db2.gz LNPZQGZNOQSBDK-UHFFFAOYSA-N -1 3 307.379 2.896 20 0 DFADHM Fc1c(CSCc2nccs2)cccc1-c1nn[n-]n1 ZINC000826370920 608404749 /nfs/dbraw/zinc/40/47/49/608404749.db2.gz LNPZQGZNOQSBDK-UHFFFAOYSA-N -1 3 307.379 2.896 20 0 DFADHM CCC1(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)CCC1 ZINC000825164664 608450890 /nfs/dbraw/zinc/45/08/90/608450890.db2.gz FZAOLIHKZDCZCE-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCC1(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)CCC1 ZINC000825164664 608450891 /nfs/dbraw/zinc/45/08/91/608450891.db2.gz FZAOLIHKZDCZCE-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CC=C(C=CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)CC ZINC000825029398 608452949 /nfs/dbraw/zinc/45/29/49/608452949.db2.gz RJZAFVRYSHOZBR-NGOBVPNHSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)CC ZINC000825029398 608452950 /nfs/dbraw/zinc/45/29/50/608452950.db2.gz RJZAFVRYSHOZBR-NGOBVPNHSA-N -1 3 316.336 2.962 20 0 DFADHM C[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1cccc(O)c1 ZINC000824618873 608475854 /nfs/dbraw/zinc/47/58/54/608475854.db2.gz RIEFSBVYQDKGES-JTQLQIEISA-N -1 3 313.336 2.562 20 0 DFADHM O=C(CCC1CC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826405277 608482075 /nfs/dbraw/zinc/48/20/75/608482075.db2.gz AIXAREPXCKHGRU-UHFFFAOYSA-N -1 3 323.400 2.673 20 0 DFADHM O=C(CCC1CC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826405277 608482076 /nfs/dbraw/zinc/48/20/76/608482076.db2.gz AIXAREPXCKHGRU-UHFFFAOYSA-N -1 3 323.400 2.673 20 0 DFADHM CC[C@H](C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825051382 608483224 /nfs/dbraw/zinc/48/32/24/608483224.db2.gz OGOGCAGJCSSULZ-LBPRGKRZSA-N -1 3 311.389 2.529 20 0 DFADHM CC[C@H](C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825051382 608483226 /nfs/dbraw/zinc/48/32/26/608483226.db2.gz OGOGCAGJCSSULZ-LBPRGKRZSA-N -1 3 311.389 2.529 20 0 DFADHM CC(C)(C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824064764 608486177 /nfs/dbraw/zinc/48/61/77/608486177.db2.gz LREDIFAIQYVFIX-UHFFFAOYSA-N -1 3 311.389 2.529 20 0 DFADHM CC(C)(C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824064764 608486179 /nfs/dbraw/zinc/48/61/79/608486179.db2.gz LREDIFAIQYVFIX-UHFFFAOYSA-N -1 3 311.389 2.529 20 0 DFADHM CCCc1csc(NC(=O)c2sccc2-c2nnn[n-]2)n1 ZINC000825351685 608489835 /nfs/dbraw/zinc/48/98/35/608489835.db2.gz HHAKMYIDZGGKFV-UHFFFAOYSA-N -1 3 320.403 2.590 20 0 DFADHM CCCc1csc(NC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC000825351685 608489836 /nfs/dbraw/zinc/48/98/36/608489836.db2.gz HHAKMYIDZGGKFV-UHFFFAOYSA-N -1 3 320.403 2.590 20 0 DFADHM COc1ccc(COc2ccc3[nH]ccc3c2)cc1-c1nnn[n-]1 ZINC000826207449 608499152 /nfs/dbraw/zinc/49/91/52/608499152.db2.gz OHLIUNQWMWPLQW-UHFFFAOYSA-N -1 3 321.340 2.936 20 0 DFADHM COc1ccc(COc2ccc3[nH]ccc3c2)cc1-c1nn[n-]n1 ZINC000826207449 608499153 /nfs/dbraw/zinc/49/91/53/608499153.db2.gz OHLIUNQWMWPLQW-UHFFFAOYSA-N -1 3 321.340 2.936 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)nc1N1CCC(c2ccccc2)CC1 ZINC000826280146 608541991 /nfs/dbraw/zinc/54/19/91/608541991.db2.gz PGGQQCIHZCMFIN-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM c1cc(-c2nnn[n-]2)sc1CNc1cnn(-c2ccccc2)c1 ZINC000826519682 608567246 /nfs/dbraw/zinc/56/72/46/608567246.db2.gz JPDCZAXHEDAHDA-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824935676 608572938 /nfs/dbraw/zinc/57/29/38/608572938.db2.gz BUUJRQFIFLZFEL-VIFPVBQESA-N -1 3 305.769 2.535 20 0 DFADHM C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824935676 608572940 /nfs/dbraw/zinc/57/29/40/608572940.db2.gz BUUJRQFIFLZFEL-VIFPVBQESA-N -1 3 305.769 2.535 20 0 DFADHM CCOC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000825494278 608582418 /nfs/dbraw/zinc/58/24/18/608582418.db2.gz VFVVSZHKHDBMCU-LBPRGKRZSA-N -1 3 324.381 2.686 20 0 DFADHM CCOC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000825494278 608582419 /nfs/dbraw/zinc/58/24/19/608582419.db2.gz VFVVSZHKHDBMCU-LBPRGKRZSA-N -1 3 324.381 2.686 20 0 DFADHM CC(C)[C@H](O)C1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000824199713 608586103 /nfs/dbraw/zinc/58/61/03/608586103.db2.gz LYXGSADHPJYUBC-ZDUSSCGKSA-N -1 3 321.812 2.729 20 0 DFADHM CC(C)[C@H](O)C1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000824199713 608586105 /nfs/dbraw/zinc/58/61/05/608586105.db2.gz LYXGSADHPJYUBC-ZDUSSCGKSA-N -1 3 321.812 2.729 20 0 DFADHM CN(Cc1ccsc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825985946 608644975 /nfs/dbraw/zinc/64/49/75/608644975.db2.gz HMHLBRNVWYBLND-UHFFFAOYSA-N -1 3 303.366 2.699 20 0 DFADHM CN(Cc1ccsc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825985946 608644978 /nfs/dbraw/zinc/64/49/78/608644978.db2.gz HMHLBRNVWYBLND-UHFFFAOYSA-N -1 3 303.366 2.699 20 0 DFADHM Cc1nc(C)c([C@H](C)N(C)Cc2ccc(-c3nnn[n-]3)o2)s1 ZINC000826324459 608691604 /nfs/dbraw/zinc/69/16/04/608691604.db2.gz RNTSGVJYFKVNRC-VIFPVBQESA-N -1 3 318.406 2.726 20 0 DFADHM Cc1nc(C)c([C@H](C)N(C)Cc2ccc(-c3nn[n-]n3)o2)s1 ZINC000826324459 608691607 /nfs/dbraw/zinc/69/16/07/608691607.db2.gz RNTSGVJYFKVNRC-VIFPVBQESA-N -1 3 318.406 2.726 20 0 DFADHM C[C@H](Cc1ccccc1Cl)Nc1cnccc1-c1nnn[n-]1 ZINC000824457720 608773365 /nfs/dbraw/zinc/77/33/65/608773365.db2.gz QVARNEROHMHWJC-SNVBAGLBSA-N -1 3 314.780 2.958 20 0 DFADHM C[C@H](Cc1ccccc1Cl)Nc1cnccc1-c1nn[n-]n1 ZINC000824457720 608773366 /nfs/dbraw/zinc/77/33/66/608773366.db2.gz QVARNEROHMHWJC-SNVBAGLBSA-N -1 3 314.780 2.958 20 0 DFADHM c1c(CNc2cnccc2-c2nnn[n-]2)sc2c1CCCC2 ZINC000826512901 608776096 /nfs/dbraw/zinc/77/60/96/608776096.db2.gz STVNWNGYADMKKY-UHFFFAOYSA-N -1 3 312.402 2.814 20 0 DFADHM c1c(CNc2cnccc2-c2nn[n-]n2)sc2c1CCCC2 ZINC000826512901 608776097 /nfs/dbraw/zinc/77/60/97/608776097.db2.gz STVNWNGYADMKKY-UHFFFAOYSA-N -1 3 312.402 2.814 20 0 DFADHM CC[C@H](CNc1cnccc1-c1nnn[n-]1)Oc1cccc(C)c1 ZINC000825122379 608788617 /nfs/dbraw/zinc/78/86/17/608788617.db2.gz YEUWEZTWPOLVMD-CYBMUJFWSA-N -1 3 324.388 2.840 20 0 DFADHM CC[C@H](CNc1cnccc1-c1nn[n-]n1)Oc1cccc(C)c1 ZINC000825122379 608788621 /nfs/dbraw/zinc/78/86/21/608788621.db2.gz YEUWEZTWPOLVMD-CYBMUJFWSA-N -1 3 324.388 2.840 20 0 DFADHM CCO[C@@H]1C[C@@H](Nc2cnccc2-c2nnn[n-]2)C1(CC)CC ZINC000825583939 608789380 /nfs/dbraw/zinc/78/93/80/608789380.db2.gz YPPZPWXLJHTLQZ-ZIAGYGMSSA-N -1 3 316.409 2.657 20 0 DFADHM CCO[C@@H]1C[C@@H](Nc2cnccc2-c2nn[n-]n2)C1(CC)CC ZINC000825583939 608789383 /nfs/dbraw/zinc/78/93/83/608789383.db2.gz YPPZPWXLJHTLQZ-ZIAGYGMSSA-N -1 3 316.409 2.657 20 0 DFADHM Fc1ccc(C2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826374205 608790212 /nfs/dbraw/zinc/79/02/12/608790212.db2.gz PSGKADAIVDPYTH-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1ccc(C2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826374205 608790213 /nfs/dbraw/zinc/79/02/13/608790213.db2.gz PSGKADAIVDPYTH-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM COc1cc(F)cc(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826180588 608799602 /nfs/dbraw/zinc/79/96/02/608799602.db2.gz NVBZAPSNGQQSMQ-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1cc(F)cc(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826180588 608799605 /nfs/dbraw/zinc/79/96/05/608799605.db2.gz NVBZAPSNGQQSMQ-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CC(C)n1cc2c(n1)[C@H](Nc1ncccc1-c1nnn[n-]1)CCC2 ZINC000824371669 609149803 /nfs/dbraw/zinc/14/98/03/609149803.db2.gz NTUJWWCWHLDEMZ-CYBMUJFWSA-N -1 3 324.392 2.529 20 0 DFADHM CC(C)n1cc2c(n1)[C@H](Nc1ncccc1-c1nn[n-]n1)CCC2 ZINC000824371669 609149805 /nfs/dbraw/zinc/14/98/05/609149805.db2.gz NTUJWWCWHLDEMZ-CYBMUJFWSA-N -1 3 324.392 2.529 20 0 DFADHM C[C@@H](Nc1cccc2c1OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824662029 609180341 /nfs/dbraw/zinc/18/03/41/609180341.db2.gz AQDKGLPOCNEICJ-LLVKDONJSA-N -1 3 323.356 2.811 20 0 DFADHM C[C@@H](Nc1cccc2c1OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824662029 609180343 /nfs/dbraw/zinc/18/03/43/609180343.db2.gz AQDKGLPOCNEICJ-LLVKDONJSA-N -1 3 323.356 2.811 20 0 DFADHM CC(C)c1ccc(CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000824347789 609187547 /nfs/dbraw/zinc/18/75/47/609187547.db2.gz NTYHLVRLQRYVIM-UHFFFAOYSA-N -1 3 324.388 2.590 20 0 DFADHM CC(C)c1ccc(CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824347789 609187548 /nfs/dbraw/zinc/18/75/48/609187548.db2.gz NTYHLVRLQRYVIM-UHFFFAOYSA-N -1 3 324.388 2.590 20 0 DFADHM CCCN(Cc1ccc(C)cc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825323384 609191877 /nfs/dbraw/zinc/19/18/77/609191877.db2.gz VGOGRVFYGODDIA-UHFFFAOYSA-N -1 3 324.388 2.556 20 0 DFADHM CCCN(Cc1ccc(C)cc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825323384 609191879 /nfs/dbraw/zinc/19/18/79/609191879.db2.gz VGOGRVFYGODDIA-UHFFFAOYSA-N -1 3 324.388 2.556 20 0 DFADHM CCCN(CC1CCCCC1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825314223 609201075 /nfs/dbraw/zinc/20/10/75/609201075.db2.gz YTDYGVVHENEFBT-UHFFFAOYSA-N -1 3 316.409 2.627 20 0 DFADHM CCCN(CC1CCCCC1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825314223 609201076 /nfs/dbraw/zinc/20/10/76/609201076.db2.gz YTDYGVVHENEFBT-UHFFFAOYSA-N -1 3 316.409 2.627 20 0 DFADHM CCCCC1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000825268333 609202134 /nfs/dbraw/zinc/20/21/34/609202134.db2.gz SNFIHWRWGJWEAW-UHFFFAOYSA-N -1 3 316.409 2.674 20 0 DFADHM CCCCC1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000825268333 609202135 /nfs/dbraw/zinc/20/21/35/609202135.db2.gz SNFIHWRWGJWEAW-UHFFFAOYSA-N -1 3 316.409 2.674 20 0 DFADHM COc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC000826210076 609246109 /nfs/dbraw/zinc/24/61/09/609246109.db2.gz CUFDREBDMGIFGH-HNNXBMFYSA-N -1 3 322.372 2.760 20 0 DFADHM COc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC000826210076 609246110 /nfs/dbraw/zinc/24/61/10/609246110.db2.gz CUFDREBDMGIFGH-HNNXBMFYSA-N -1 3 322.372 2.760 20 0 DFADHM C[C@@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1nccs1 ZINC000824539851 609248768 /nfs/dbraw/zinc/24/87/68/609248768.db2.gz QDBKIPGSUGOTQA-SNVBAGLBSA-N -1 3 312.402 2.663 20 0 DFADHM CCc1nn(C)cc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825762976 609254832 /nfs/dbraw/zinc/25/48/32/609254832.db2.gz MMWQOQYBUABLGP-HNNXBMFYSA-N -1 3 323.404 2.652 20 0 DFADHM CCc1nn(C)cc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825762976 609254833 /nfs/dbraw/zinc/25/48/33/609254833.db2.gz MMWQOQYBUABLGP-HNNXBMFYSA-N -1 3 323.404 2.652 20 0 DFADHM CC(C)c1cc(NCc2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000824347915 609265610 /nfs/dbraw/zinc/26/56/10/609265610.db2.gz SJSWUKWDHYTSBZ-UHFFFAOYSA-N -1 3 302.313 2.729 20 0 DFADHM CC(C)c1cc(NCc2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000824347915 609265612 /nfs/dbraw/zinc/26/56/12/609265612.db2.gz SJSWUKWDHYTSBZ-UHFFFAOYSA-N -1 3 302.313 2.729 20 0 DFADHM CC[C@H](C)CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825066936 609278514 /nfs/dbraw/zinc/27/85/14/609278514.db2.gz FVZXPPPWCMXSCZ-JTQLQIEISA-N -1 3 315.356 2.650 20 0 DFADHM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824926727 609287956 /nfs/dbraw/zinc/28/79/56/609287956.db2.gz LLIRPLDKBMCGQF-KOLCDFICSA-N -1 3 319.796 2.829 20 0 DFADHM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824926727 609287957 /nfs/dbraw/zinc/28/79/57/609287957.db2.gz LLIRPLDKBMCGQF-KOLCDFICSA-N -1 3 319.796 2.829 20 0 DFADHM COCCC[C@@H](C)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826155217 609309203 /nfs/dbraw/zinc/30/92/03/609309203.db2.gz JYQAJIFNGZEKCJ-SECBINFHSA-N -1 3 323.784 2.521 20 0 DFADHM COCCC[C@@H](C)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826155217 609309205 /nfs/dbraw/zinc/30/92/05/609309205.db2.gz JYQAJIFNGZEKCJ-SECBINFHSA-N -1 3 323.784 2.521 20 0 DFADHM Fc1cc(OCc2ccc3c(c2)COC3)ccc1-c1nnn[n-]1 ZINC000826372892 609311628 /nfs/dbraw/zinc/31/16/28/609311628.db2.gz PZWICTFSBJRBJK-UHFFFAOYSA-N -1 3 312.304 2.615 20 0 DFADHM Fc1cc(OCc2ccc3c(c2)COC3)ccc1-c1nn[n-]n1 ZINC000826372892 609311631 /nfs/dbraw/zinc/31/16/31/609311631.db2.gz PZWICTFSBJRBJK-UHFFFAOYSA-N -1 3 312.304 2.615 20 0 DFADHM CN(C[C@H]1CCCC[C@H]1O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825908655 609324162 /nfs/dbraw/zinc/32/41/62/609324162.db2.gz KNEAWDHUICRTPW-QMTHXVAHSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@H]1CCCC[C@H]1O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825908655 609324164 /nfs/dbraw/zinc/32/41/64/609324164.db2.gz KNEAWDHUICRTPW-QMTHXVAHSA-N -1 3 321.812 2.507 20 0 DFADHM CCc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000825700411 609330982 /nfs/dbraw/zinc/33/09/82/609330982.db2.gz FBFFBQKGFJRTNW-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM CCc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825700411 609330985 /nfs/dbraw/zinc/33/09/85/609330985.db2.gz FBFFBQKGFJRTNW-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC(C)(C)C1 ZINC000825972014 609373402 /nfs/dbraw/zinc/37/34/02/609373402.db2.gz ROBMPVKJOITRDE-AWEZNQCLSA-N -1 3 313.405 2.651 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC(C)(C)C1 ZINC000825972014 609373403 /nfs/dbraw/zinc/37/34/03/609373403.db2.gz ROBMPVKJOITRDE-AWEZNQCLSA-N -1 3 313.405 2.651 20 0 DFADHM C[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824469653 609375287 /nfs/dbraw/zinc/37/52/87/609375287.db2.gz BHMKFKVEGMJQBC-BXUZGUMPSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824469653 609375291 /nfs/dbraw/zinc/37/52/91/609375291.db2.gz BHMKFKVEGMJQBC-BXUZGUMPSA-N -1 3 313.405 2.870 20 0 DFADHM Cc1nn(CC2CCC(C(C)(C)C)CC2)c(N)c1-c1nnn[n-]1 ZINC000826334157 609379488 /nfs/dbraw/zinc/37/94/88/609379488.db2.gz KAXNNFKIOAAOCN-UHFFFAOYSA-N -1 3 317.441 2.806 20 0 DFADHM Cc1nn(CC2CCC(C(C)(C)C)CC2)c(N)c1-c1nn[n-]n1 ZINC000826334157 609379491 /nfs/dbraw/zinc/37/94/91/609379491.db2.gz KAXNNFKIOAAOCN-UHFFFAOYSA-N -1 3 317.441 2.806 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824915560 609396593 /nfs/dbraw/zinc/39/65/93/609396593.db2.gz GLDBYCVDWQZONY-SJKOYZFVSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824915560 609396595 /nfs/dbraw/zinc/39/65/95/609396595.db2.gz GLDBYCVDWQZONY-SJKOYZFVSA-N -1 3 311.389 2.519 20 0 DFADHM O=C(Nc1ccc(Cl)c(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826453257 609407003 /nfs/dbraw/zinc/40/70/03/609407003.db2.gz CRTKPBFKENAVKS-UHFFFAOYSA-N -1 3 323.143 2.754 20 0 DFADHM O=C(Nc1ccc(Cl)c(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826453257 609407005 /nfs/dbraw/zinc/40/70/05/609407005.db2.gz CRTKPBFKENAVKS-UHFFFAOYSA-N -1 3 323.143 2.754 20 0 DFADHM C[C@@H](c1ccccc1)N(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000824772738 609449748 /nfs/dbraw/zinc/44/97/48/609449748.db2.gz XAWWGUQQXFNPMP-NSHDSACASA-N -1 3 322.372 2.561 20 0 DFADHM C[C@@H](c1ccccc1)N(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000824772738 609449750 /nfs/dbraw/zinc/44/97/50/609449750.db2.gz XAWWGUQQXFNPMP-NSHDSACASA-N -1 3 322.372 2.561 20 0 DFADHM CC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823967040 609451933 /nfs/dbraw/zinc/45/19/33/609451933.db2.gz HHFIYUGFBUDZFN-UHFFFAOYSA-N -1 3 302.281 2.567 20 0 DFADHM CC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823967040 609451934 /nfs/dbraw/zinc/45/19/34/609451934.db2.gz HHFIYUGFBUDZFN-UHFFFAOYSA-N -1 3 302.281 2.567 20 0 DFADHM COc1cc(C)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826177920 609476946 /nfs/dbraw/zinc/47/69/46/609476946.db2.gz ATXZFZDFXAXIOU-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1cc(C)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826177920 609476947 /nfs/dbraw/zinc/47/69/47/609476947.db2.gz ATXZFZDFXAXIOU-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c[nH]nc2c1 ZINC000826278430 609481865 /nfs/dbraw/zinc/48/18/65/609481865.db2.gz BOOZVCWVIJKXCC-UHFFFAOYSA-N -1 3 305.345 2.664 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C)s1 ZINC000826186793 609481907 /nfs/dbraw/zinc/48/19/07/609481907.db2.gz KYPWLUNUJPJHMM-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C)s1 ZINC000826186793 609481910 /nfs/dbraw/zinc/48/19/10/609481910.db2.gz KYPWLUNUJPJHMM-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(F)ccc1C ZINC000826186199 609483525 /nfs/dbraw/zinc/48/35/25/609483525.db2.gz JHZCEYKQQIOORI-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cc(F)ccc1C ZINC000826186199 609483523 /nfs/dbraw/zinc/48/35/23/609483523.db2.gz JHZCEYKQQIOORI-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM C[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824506827 609503800 /nfs/dbraw/zinc/50/38/00/609503800.db2.gz QPXYKGATWAOYBT-OLZOCXBDSA-N -1 3 321.384 2.848 20 0 DFADHM C[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824506827 609503802 /nfs/dbraw/zinc/50/38/02/609503802.db2.gz QPXYKGATWAOYBT-OLZOCXBDSA-N -1 3 321.384 2.848 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1CCC[C@H]1C ZINC000826253623 609510473 /nfs/dbraw/zinc/51/04/73/609510473.db2.gz XJOYGIDGRUNJQT-YGRLFVJLSA-N -1 3 300.362 2.655 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1CCC[C@H]1C ZINC000826253623 609510475 /nfs/dbraw/zinc/51/04/75/609510475.db2.gz XJOYGIDGRUNJQT-YGRLFVJLSA-N -1 3 300.362 2.655 20 0 DFADHM Cc1ccnc(N2CCC[C@@H]2c2cccs2)c1-c1nnn[n-]1 ZINC000826311217 609523460 /nfs/dbraw/zinc/52/34/60/609523460.db2.gz XGODAOLDKYJCDO-LLVKDONJSA-N -1 3 312.402 2.973 20 0 DFADHM Cc1ccnc(N2CCC[C@@H]2c2cccs2)c1-c1nn[n-]n1 ZINC000826311217 609523463 /nfs/dbraw/zinc/52/34/63/609523463.db2.gz XGODAOLDKYJCDO-LLVKDONJSA-N -1 3 312.402 2.973 20 0 DFADHM Cc1ccnc(NCCSc2ccccc2)c1-c1nnn[n-]1 ZINC000826314265 609523704 /nfs/dbraw/zinc/52/37/04/609523704.db2.gz NQOHJMWYRGQEOL-UHFFFAOYSA-N -1 3 312.402 2.774 20 0 DFADHM Cc1ccnc(NCCSc2ccccc2)c1-c1nn[n-]n1 ZINC000826314265 609523707 /nfs/dbraw/zinc/52/37/07/609523707.db2.gz NQOHJMWYRGQEOL-UHFFFAOYSA-N -1 3 312.402 2.774 20 0 DFADHM Cc1ccnc(N(Cc2cccc(F)c2)C2CC2)c1-c1nnn[n-]1 ZINC000826309681 609537381 /nfs/dbraw/zinc/53/73/81/609537381.db2.gz XWIBAJDLXRWJHJ-UHFFFAOYSA-N -1 3 324.363 2.878 20 0 DFADHM Cc1ccnc(N(Cc2cccc(F)c2)C2CC2)c1-c1nn[n-]n1 ZINC000826309681 609537382 /nfs/dbraw/zinc/53/73/82/609537382.db2.gz XWIBAJDLXRWJHJ-UHFFFAOYSA-N -1 3 324.363 2.878 20 0 DFADHM Cc1ccnc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c1-c1nnn[n-]1 ZINC000826314228 609538214 /nfs/dbraw/zinc/53/82/14/609538214.db2.gz MBVPMWFCTSGSFN-CMPLNLGQSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1ccnc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c1-c1nn[n-]n1 ZINC000826314228 609538216 /nfs/dbraw/zinc/53/82/16/609538216.db2.gz MBVPMWFCTSGSFN-CMPLNLGQSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1cccc2c1OCC[C@@H]2Nc1nccc(C)c1-c1nnn[n-]1 ZINC000826305271 609544856 /nfs/dbraw/zinc/54/48/56/609544856.db2.gz QLSJWJUIYZWBGA-ZDUSSCGKSA-N -1 3 322.372 2.814 20 0 DFADHM Cc1cccc2c1OCC[C@@H]2Nc1nccc(C)c1-c1nn[n-]n1 ZINC000826305271 609544859 /nfs/dbraw/zinc/54/48/59/609544859.db2.gz QLSJWJUIYZWBGA-ZDUSSCGKSA-N -1 3 322.372 2.814 20 0 DFADHM CC/C(C)=C(/C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825051569 609551710 /nfs/dbraw/zinc/55/17/10/609551710.db2.gz RQOHRIMJUJLKQA-KTKRTIGZSA-N -1 3 303.341 2.715 20 0 DFADHM CC/C(C)=C(/C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825051569 609551712 /nfs/dbraw/zinc/55/17/12/609551712.db2.gz RQOHRIMJUJLKQA-KTKRTIGZSA-N -1 3 303.341 2.715 20 0 DFADHM Cc1ccnc(N[C@H]2C[C@@]2(C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311536 609560376 /nfs/dbraw/zinc/56/03/76/609560376.db2.gz HJFNSTMLMSPBSK-GUYCJALGSA-N -1 3 306.373 2.712 20 0 DFADHM Cc1ccnc(N[C@H]2C[C@@]2(C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311536 609560378 /nfs/dbraw/zinc/56/03/78/609560378.db2.gz HJFNSTMLMSPBSK-GUYCJALGSA-N -1 3 306.373 2.712 20 0 DFADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)[C@H]1CCCOC1 ZINC000824650999 609561579 /nfs/dbraw/zinc/56/15/79/609561579.db2.gz WUHWZEKPSBDVLY-NEPJUHHUSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)[C@H]1CCCOC1 ZINC000824650999 609561581 /nfs/dbraw/zinc/56/15/81/609561581.db2.gz WUHWZEKPSBDVLY-NEPJUHHUSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)[C@@H]1CCCOC1 ZINC000824651149 609562069 /nfs/dbraw/zinc/56/20/69/609562069.db2.gz WUHWZEKPSBDVLY-NWDGAFQWSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)[C@@H]1CCCOC1 ZINC000824651149 609562071 /nfs/dbraw/zinc/56/20/71/609562071.db2.gz WUHWZEKPSBDVLY-NWDGAFQWSA-N -1 3 324.388 2.642 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@@H](C)CC[C@H]2C)c1-c1nnn[n-]1 ZINC000826236835 609563245 /nfs/dbraw/zinc/56/32/45/609563245.db2.gz DDWBAUMUSLOQMB-DTWKUNHWSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@@H](C)CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826236835 609563246 /nfs/dbraw/zinc/56/32/46/609563246.db2.gz DDWBAUMUSLOQMB-DTWKUNHWSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1nc2c(s1)[C@@H](Nc1ncccc1-c1nnn[n-]1)CCC2 ZINC000826328341 609566149 /nfs/dbraw/zinc/56/61/49/609566149.db2.gz OFFXGGRQUJCWKM-NSHDSACASA-N -1 3 313.390 2.516 20 0 DFADHM Cc1nc2c(s1)[C@@H](Nc1ncccc1-c1nn[n-]n1)CCC2 ZINC000826328341 609566152 /nfs/dbraw/zinc/56/61/52/609566152.db2.gz OFFXGGRQUJCWKM-NSHDSACASA-N -1 3 313.390 2.516 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@@H](C)CC2(C)C)c1-c1nnn[n-]1 ZINC000826237142 609568305 /nfs/dbraw/zinc/56/83/05/609568305.db2.gz PQYUVZIJCKLYNP-QMMMGPOBSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@@H](C)CC2(C)C)c1-c1nn[n-]n1 ZINC000826237142 609568307 /nfs/dbraw/zinc/56/83/07/609568307.db2.gz PQYUVZIJCKLYNP-QMMMGPOBSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@H](C)CC2(C)C)c1-c1nnn[n-]1 ZINC000826237141 609568579 /nfs/dbraw/zinc/56/85/79/609568579.db2.gz PQYUVZIJCKLYNP-MRVPVSSYSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@H](C)CC2(C)C)c1-c1nn[n-]n1 ZINC000826237141 609568581 /nfs/dbraw/zinc/56/85/81/609568581.db2.gz PQYUVZIJCKLYNP-MRVPVSSYSA-N -1 3 306.801 2.848 20 0 DFADHM Fc1cc(CCNc2ccc(-c3nn[n-]n3)cc2)cc(F)c1F ZINC000826372442 609571321 /nfs/dbraw/zinc/57/13/21/609571321.db2.gz WKTRAUQBMRITKT-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Cc1c(Cl)cnc(N2CCC3(CCC3)C2)c1-c1nnn[n-]1 ZINC000826238071 609575663 /nfs/dbraw/zinc/57/56/63/609575663.db2.gz VTFCHZAMSVPMJS-UHFFFAOYSA-N -1 3 304.785 2.604 20 0 DFADHM Cc1c(Cl)cnc(N2CCC3(CCC3)C2)c1-c1nn[n-]n1 ZINC000826238071 609575666 /nfs/dbraw/zinc/57/56/66/609575666.db2.gz VTFCHZAMSVPMJS-UHFFFAOYSA-N -1 3 304.785 2.604 20 0 DFADHM C(=C/[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1)\c1ccccc1 ZINC000823861485 609578521 /nfs/dbraw/zinc/57/85/21/609578521.db2.gz KFIWGINWTFANGU-XAVKZTDYSA-N -1 3 318.384 2.944 20 0 DFADHM C(=C/[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1)\c1ccccc1 ZINC000823861485 609578523 /nfs/dbraw/zinc/57/85/23/609578523.db2.gz KFIWGINWTFANGU-XAVKZTDYSA-N -1 3 318.384 2.944 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1=CCC1 ZINC000826452162 609589400 /nfs/dbraw/zinc/58/94/00/609589400.db2.gz JPGNFUJRBFGFGW-UHFFFAOYSA-N -1 3 309.251 2.544 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1=CCC1 ZINC000826452162 609589402 /nfs/dbraw/zinc/58/94/02/609589402.db2.gz JPGNFUJRBFGFGW-UHFFFAOYSA-N -1 3 309.251 2.544 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)C1CC=CC1 ZINC000826465232 609613662 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CKDPCKYOKOVKLF-IINYFYTJSA-N -1 3 302.353 2.892 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC2(C1)CCCCC2 ZINC000277634407 296178641 /nfs/dbraw/zinc/17/86/41/296178641.db2.gz JNFLAIFYVHRWFZ-UHFFFAOYSA-N -1 3 302.353 2.893 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC2(C1)CCCCC2 ZINC000277634407 296178642 /nfs/dbraw/zinc/17/86/42/296178642.db2.gz JNFLAIFYVHRWFZ-UHFFFAOYSA-N -1 3 302.353 2.893 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC2(C1)CCCCC2 ZINC000277634407 296178643 /nfs/dbraw/zinc/17/86/43/296178643.db2.gz JNFLAIFYVHRWFZ-UHFFFAOYSA-N -1 3 302.353 2.893 20 0 DFADHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000622021967 399170618 /nfs/dbraw/zinc/17/06/18/399170618.db2.gz LCMQJGXXILAPLU-MRXNPFEDSA-N -1 3 304.296 2.637 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000342009820 284308848 /nfs/dbraw/zinc/30/88/48/284308848.db2.gz FKNCNUTXYNLONT-CYBMUJFWSA-N -1 3 320.433 2.701 20 0 DFADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1ncccc1Cl ZINC000342046245 284314926 /nfs/dbraw/zinc/31/49/26/284314926.db2.gz RBGLROQYEYPLSQ-UHFFFAOYSA-N -1 3 317.761 2.901 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(CCC(C)(C)C)CC2)n1 ZINC000192550921 399174667 /nfs/dbraw/zinc/17/46/67/399174667.db2.gz YCBYXFBHLFLRPY-CQSZACIVSA-N -1 3 306.454 2.605 20 0 DFADHM Cc1cc(C)c(S(=O)(=O)[N-][C@@H](C)c2nccc(C)n2)s1 ZINC000622041818 399174718 /nfs/dbraw/zinc/17/47/18/399174718.db2.gz JUIBAHBAYUPRCA-NSHDSACASA-N -1 3 311.432 2.503 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCc3cnn(C)c3C2)c1[O-] ZINC000282647394 217149723 /nfs/dbraw/zinc/14/97/23/217149723.db2.gz HGOLPCOPJLLTEY-SNVBAGLBSA-N -1 3 319.792 2.831 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 ZINC000282654260 217155494 /nfs/dbraw/zinc/15/54/94/217155494.db2.gz UWZYZCHFJJWISB-GOEBONIOSA-N -1 3 315.344 2.788 20 0 DFADHM Cc1cccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1[O-] ZINC000282733742 217211702 /nfs/dbraw/zinc/21/17/02/217211702.db2.gz ZYXVKCRKGWUACI-ZBFHGGJFSA-N -1 3 315.344 2.788 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@H](C)c2ccco2)n[n-]1 ZINC000607633741 399180873 /nfs/dbraw/zinc/18/08/73/399180873.db2.gz XQKBBNPBNYVXGT-SNVBAGLBSA-N -1 3 312.329 2.816 20 0 DFADHM Cn1ncc2c1C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])CC2 ZINC000282737102 217213082 /nfs/dbraw/zinc/21/30/82/217213082.db2.gz MSGCUPLOKLWQJG-SECBINFHSA-N -1 3 305.765 2.523 20 0 DFADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000622059617 399181010 /nfs/dbraw/zinc/18/10/10/399181010.db2.gz XKWGJKUGBBWSAA-JGPRNRPPSA-N -1 3 316.792 2.542 20 0 DFADHM CCn1cncc1[C@H]1CCCCN1C(=O)c1cc(F)c[n-]c1=O ZINC000622057028 399179748 /nfs/dbraw/zinc/17/97/48/399179748.db2.gz LDBOAKOAFKOMKM-CYBMUJFWSA-N -1 3 318.352 2.510 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C)cc1 ZINC000014223687 181939457 /nfs/dbraw/zinc/93/94/57/181939457.db2.gz CVWKDDAESKIMJJ-UHFFFAOYSA-N -1 3 307.371 2.813 20 0 DFADHM CCC(=O)c1cccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c1 ZINC000288266196 220050479 /nfs/dbraw/zinc/05/04/79/220050479.db2.gz 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Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCc2cc(F)ccc21 ZINC000119540319 145202006 /nfs/dbraw/zinc/20/20/06/145202006.db2.gz GJUQOAQGGFFWMH-AWEZNQCLSA-N -1 3 324.377 2.786 20 0 DFADHM O=C([O-])[C@H]1CCCN(Cc2ccccc2OCC(F)(F)F)C1 ZINC000164593089 145224712 /nfs/dbraw/zinc/22/47/12/145224712.db2.gz UYYMZIGIJWARLF-LBPRGKRZSA-N -1 3 317.307 2.924 20 0 DFADHM CCS[C@@H]1CCC[C@H](NC(=O)NCc2ncccc2[O-])C1 ZINC000349470778 285870045 /nfs/dbraw/zinc/87/00/45/285870045.db2.gz UPJLWERXJBDGDU-NWDGAFQWSA-N -1 3 309.435 2.651 20 0 DFADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(Cl)c(Cl)c1 ZINC000172364709 145299626 /nfs/dbraw/zinc/29/96/26/145299626.db2.gz CQZQGIBVWWMXBP-SECBINFHSA-N -1 3 310.202 2.914 20 0 DFADHM NC(=O)c1ccc(F)c([N-]C(=O)c2c(F)cc(F)cc2F)c1 ZINC000172770786 145316139 /nfs/dbraw/zinc/31/61/39/145316139.db2.gz PEPHSPQGKPPVSH-UHFFFAOYSA-N -1 3 312.222 2.594 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)Cc1cc(C)cc(C)c1 ZINC000173677066 145351447 /nfs/dbraw/zinc/35/14/47/145351447.db2.gz 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CC[C@](C)(NC(=O)Cc1cncc([O-])c1)c1ccc(F)cc1 ZINC000633796466 399947822 /nfs/dbraw/zinc/94/78/22/399947822.db2.gz YAEGREIYWJITDS-KRWDZBQOSA-N -1 3 302.349 2.910 20 0 DFADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000627725878 399957547 /nfs/dbraw/zinc/95/75/47/399957547.db2.gz FTIPDGNZJAFOPP-LSDHHAIUSA-N -1 3 303.402 2.714 20 0 DFADHM CC(C)c1cc([N-]C(=O)[C@H]2CCCN2CC(F)(F)F)on1 ZINC000633905178 399959929 /nfs/dbraw/zinc/95/99/29/399959929.db2.gz WMDQEHGMAPOEQK-SNVBAGLBSA-N -1 3 305.300 2.763 20 0 DFADHM Cc1cccc(C(=O)N[C@H](C)C(=O)[N-]c2cc(C(C)C)no2)c1 ZINC000633907782 399960360 /nfs/dbraw/zinc/96/03/60/399960360.db2.gz YUOVSAUIIVLJDT-GFCCVEGCSA-N -1 3 315.373 2.863 20 0 DFADHM C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000627789052 399962356 /nfs/dbraw/zinc/96/23/56/399962356.db2.gz NVEZLCQUMVOMMW-KRWDZBQOSA-N -1 3 315.348 2.559 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)c1[O-] ZINC000627811358 399964116 /nfs/dbraw/zinc/96/41/16/399964116.db2.gz SPIAWTHPQRGQPC-ZETCQYMHSA-N -1 3 315.251 2.593 20 0 DFADHM O=C(c1cc(=O)[n-]cn1)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000627970070 399974593 /nfs/dbraw/zinc/97/45/93/399974593.db2.gz AFQBFGDSKWAIHI-INIZCTEOSA-N -1 3 307.353 2.716 20 0 DFADHM C[C@H]1SCC[C@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000627976780 399975028 /nfs/dbraw/zinc/97/50/28/399975028.db2.gz ZYXDQEOJAXPTAO-RDDDGLTNSA-N -1 3 316.220 2.779 20 0 DFADHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)[C@@H](C)O1 ZINC000634029964 399975547 /nfs/dbraw/zinc/97/55/47/399975547.db2.gz KKYJZVQUCKNHMF-RWYTXXIDSA-N -1 3 303.280 2.707 20 0 DFADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Br)cc2[O-])[C@H](C)O1 ZINC000630731601 399921528 /nfs/dbraw/zinc/92/15/28/399921528.db2.gz JHHIVIIMYLQJDV-KHQFGBGNSA-N -1 3 314.179 2.907 20 0 DFADHM C[C@@H]1CSC[C@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000627161283 399922728 /nfs/dbraw/zinc/92/27/28/399922728.db2.gz WLKZNCTVMRYONU-RDDDGLTNSA-N -1 3 316.220 2.636 20 0 DFADHM CCN(CC(=O)N1CCCCCC1)C(=O)c1c(C)cccc1[O-] ZINC000627194914 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149332098 /nfs/dbraw/zinc/33/20/98/149332098.db2.gz SSXMSMOSUKFDEE-AWEZNQCLSA-N -1 3 316.405 2.645 20 0 DFADHM Cc1cccc(C)c1OC[C@H](NC(=O)c1cn[n-]n1)C(C)(C)C ZINC000362646753 149332101 /nfs/dbraw/zinc/33/21/01/149332101.db2.gz SSXMSMOSUKFDEE-AWEZNQCLSA-N -1 3 316.405 2.645 20 0 DFADHM CC[C@H](C)[C@H](O)C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000362708755 149346535 /nfs/dbraw/zinc/34/65/35/149346535.db2.gz XWUVHLBAGZCFGB-BONVTDFDSA-N -1 3 315.373 2.503 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCS1 ZINC000362714856 149348793 /nfs/dbraw/zinc/34/87/93/149348793.db2.gz IOLJZSGWHSHNOL-SNVBAGLBSA-N -1 3 321.851 2.523 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCSC1 ZINC000362869374 149385822 /nfs/dbraw/zinc/38/58/22/149385822.db2.gz SUCQIUITQMETFD-SNVBAGLBSA-N -1 3 321.851 2.523 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)s1 ZINC000362915564 149395229 /nfs/dbraw/zinc/39/52/29/149395229.db2.gz BOMMPWWEXVCKAE-VIFPVBQESA-N -1 3 310.391 2.616 20 0 DFADHM O=C(C=Cc1cc2ccccc2o1)N1CCc2c(=O)[n-]cnc2C1 ZINC000493121693 299719856 /nfs/dbraw/zinc/71/98/56/299719856.db2.gz SBIPSZWQEIDRSZ-AATRIKPKSA-N -1 3 321.336 2.527 20 0 DFADHM Cc1cc(C)n(CC2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000370026978 149873319 /nfs/dbraw/zinc/87/33/19/149873319.db2.gz MPQWLLLXTRAWGU-UHFFFAOYSA-N -1 3 313.401 2.758 20 0 DFADHM CO[C@]1(C(=O)[N-]c2onc(C3CCCCC3)c2C)CCOC1 ZINC000297685839 286154447 /nfs/dbraw/zinc/15/44/47/286154447.db2.gz HHYXTVUECQPZKZ-MRXNPFEDSA-N -1 3 308.378 2.775 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC(Cc2ccccc2F)C1 ZINC000371572394 150066407 /nfs/dbraw/zinc/06/64/07/150066407.db2.gz HEVBABBYZPDXAI-UHFFFAOYSA-N -1 3 301.317 2.552 20 0 DFADHM CC(C)Cn1cnnc1[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000371580411 150068468 /nfs/dbraw/zinc/06/84/68/150068468.db2.gz DACNPXVGXFFBEG-OAHLLOKOSA-N -1 3 314.389 2.617 20 0 DFADHM O=C(c1ccc([O-])cc1)C1CCN(c2ncnc3[nH]ccc32)CC1 ZINC000372211874 150149550 /nfs/dbraw/zinc/14/95/50/150149550.db2.gz NIVNJKFGRJSUCX-UHFFFAOYSA-N -1 3 322.368 2.763 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)c([O-])c1 ZINC000372756189 150180847 /nfs/dbraw/zinc/18/08/47/150180847.db2.gz BEZUINJGMOAGTA-QGZVFWFLSA-N -1 3 319.401 2.822 20 0 DFADHM CCn1cc(-c2n[nH]cc2C(=O)Nc2ccc(C)cc2[O-])cn1 ZINC000426577601 296634074 /nfs/dbraw/zinc/63/40/74/296634074.db2.gz DGAYOLAIHTUFQA-UHFFFAOYSA-N -1 3 311.345 2.559 20 0 DFADHM CSc1ccc(C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c([O-])c1 ZINC000373056164 150224033 /nfs/dbraw/zinc/22/40/33/150224033.db2.gz JTKZFEOEGHSVRS-VXGBXAGGSA-N -1 3 307.415 2.613 20 0 DFADHM CC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000426681985 296635903 /nfs/dbraw/zinc/63/59/03/296635903.db2.gz DLRSIHUVHQDCEZ-QGZVFWFLSA-N -1 3 312.369 2.869 20 0 DFADHM COc1cc(C)nc(CNCC2(CC(=O)[O-])CCCCC2)c1 ZINC000426680226 296635962 /nfs/dbraw/zinc/63/59/62/296635962.db2.gz LQXNNKCYKNIEPH-UHFFFAOYSA-N -1 3 306.406 2.913 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC[C@@]3(CCCCO3)C2)c1 ZINC000373145858 150238390 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CCOC(=O)COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000352028036 286273382 /nfs/dbraw/zinc/27/33/82/286273382.db2.gz RTULOKUDDFYEAY-RMKNXTFCSA-N -1 3 314.341 2.603 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C)sc2C)o1 ZINC000352089538 286289305 /nfs/dbraw/zinc/28/93/05/286289305.db2.gz NGOKNCPDNYLDPZ-VIFPVBQESA-N -1 3 300.405 2.701 20 0 DFADHM O=c1[n-]c(SCc2cc[nH]n2)nc2c1cnn2-c1ccccc1 ZINC000352152146 286305860 /nfs/dbraw/zinc/30/58/60/286305860.db2.gz AJOSFBIVZAZBSO-UHFFFAOYSA-N -1 3 324.369 2.537 20 0 DFADHM COc1cccc([C@H](C)NC(=O)c2c[n-]nc2-c2ccccn2)c1 ZINC000352176547 286312456 /nfs/dbraw/zinc/31/24/56/286312456.db2.gz QGEYJMKBRCSFGF-LBPRGKRZSA-N -1 3 322.368 2.971 20 0 DFADHM CCC1(c2ccccc2)CN(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000493282311 299749038 /nfs/dbraw/zinc/74/90/38/299749038.db2.gz BOMDPPJDCNZXOT-HJWRWDBZSA-N -1 3 308.381 2.991 20 0 DFADHM Cc1cc(C(=O)N[C@H]2CCc3c2cccc3Cl)[n-]c(=O)n1 ZINC000352181761 286313450 /nfs/dbraw/zinc/31/34/50/286313450.db2.gz ICDJGYHAYLKMIH-LBPRGKRZSA-N 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/nfs/dbraw/zinc/39/32/62/286393262.db2.gz SDBONLRESCAJDX-UHFFFAOYSA-N -1 3 307.353 2.584 20 0 DFADHM O=C(NCc1ncccc1[O-])C1(Cc2ccccc2F)CC1 ZINC000352511174 286393437 /nfs/dbraw/zinc/39/34/37/286393437.db2.gz WTDVKNYAOYJHCF-UHFFFAOYSA-N -1 3 300.333 2.565 20 0 DFADHM CC(C)(C)c1ccccc1OCC(=O)NCc1ncccc1[O-] ZINC000352516570 286394929 /nfs/dbraw/zinc/39/49/29/286394929.db2.gz LTTBSBFYCZNFAO-UHFFFAOYSA-N -1 3 314.385 2.780 20 0 DFADHM C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1ncccc1[O-] ZINC000352517781 286395349 /nfs/dbraw/zinc/39/53/49/286395349.db2.gz SBJNTGVMDHZAQV-NSHDSACASA-N -1 3 320.389 2.971 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000352517864 286395401 /nfs/dbraw/zinc/39/54/01/286395401.db2.gz TXBZIXGRMGXWPE-NXEZZACHSA-N -1 3 320.751 3.000 20 0 DFADHM Cc1ccc(Br)c(C(=O)NCc2ncccc2[O-])c1 ZINC000352518559 286395655 /nfs/dbraw/zinc/39/56/55/286395655.db2.gz YFYIXZHKPSYLHA-UHFFFAOYSA-N -1 3 321.174 2.788 20 0 DFADHM Cc1ncc(C(=O)NCc2ncccc2[O-])c(Cl)c1Cl ZINC000352518764 286395952 /nfs/dbraw/zinc/39/59/52/286395952.db2.gz ZFNAYJJJDBSSCP-UHFFFAOYSA-N -1 3 312.156 2.727 20 0 DFADHM O=C(NCc1ncccc1[O-])c1occc1COc1ccccc1 ZINC000352508010 286392374 /nfs/dbraw/zinc/39/23/74/286392374.db2.gz LFMUUMVHJQJPAT-UHFFFAOYSA-N -1 3 324.336 2.889 20 0 DFADHM COc1cccc([C@H]2C[C@H](NC(=O)/C=C/c3cncc([O-])c3)C2)c1 ZINC000493364948 299765536 /nfs/dbraw/zinc/76/55/36/299765536.db2.gz FFOXXLJEVIRWKT-SCACLENHSA-N -1 3 324.380 2.871 20 0 DFADHM CC1(CC(F)(F)F)CN(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000493380056 299769351 /nfs/dbraw/zinc/76/93/51/299769351.db2.gz CMFQNPKSDBWDSC-NSCUHMNNSA-N -1 3 300.280 2.601 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCOC2)sc1Cl ZINC000353079735 286546375 /nfs/dbraw/zinc/54/63/75/286546375.db2.gz NTPUBOYJYZBHJE-VHSXEESVSA-N -1 3 323.867 2.803 20 0 DFADHM CCN(C(=O)/C=C/c1cncc([O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000493464834 299786105 /nfs/dbraw/zinc/78/61/05/299786105.db2.gz WTIYOCUMZYGLJG-GJBLVYBDSA-N -1 3 304.390 2.607 20 0 DFADHM CN(Cc1cn2c(n1)CCCC2)Cc1c(F)ccc([O-])c1F ZINC000353209482 286580240 /nfs/dbraw/zinc/58/02/40/286580240.db2.gz YTZFMXYFQPXCLX-UHFFFAOYSA-N -1 3 307.344 2.835 20 0 DFADHM CC(C)Oc1cccc(/C=C\C(=O)[N-]O[C@H](CO)C(C)C)c1 ZINC000493492141 299789138 /nfs/dbraw/zinc/78/91/38/299789138.db2.gz JXGWGPOKZRKJJL-HLRDLLSLSA-N -1 3 307.390 2.552 20 0 DFADHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000278008111 297145416 /nfs/dbraw/zinc/14/54/16/297145416.db2.gz VQZNVZORHXJDPT-PSASIEDQSA-N -1 3 324.229 2.697 20 0 DFADHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]C(=O)C(C)(Cl)Cl ZINC000181761088 157996393 /nfs/dbraw/zinc/99/63/93/157996393.db2.gz YSKDFDDIFAKHFD-QMMMGPOBSA-N -1 3 305.209 2.546 20 0 DFADHM CCN(C(=O)c1cccc([O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000182419149 158002204 /nfs/dbraw/zinc/00/22/04/158002204.db2.gz WXZNTSYIAHLIPV-QGZVFWFLSA-N -1 3 324.380 2.660 20 0 DFADHM COc1nnc(NC(=O)[C@@H](SCc2ccccc2)C(C)C)[n-]1 ZINC000182999523 158012993 /nfs/dbraw/zinc/01/29/93/158012993.db2.gz 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ZINC000354972138 158246896 /nfs/dbraw/zinc/24/68/96/158246896.db2.gz IYUGCDQVZXBCIF-UHFFFAOYSA-N -1 3 306.372 2.547 20 0 DFADHM CC[C@H](CC(F)(F)F)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000355181818 158292192 /nfs/dbraw/zinc/29/21/92/158292192.db2.gz PUZUCPIQVRTERQ-SECBINFHSA-N -1 3 312.291 2.989 20 0 DFADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cc[nH]c(=O)c1 ZINC000355194916 158294437 /nfs/dbraw/zinc/29/44/37/158294437.db2.gz CKASBOHJMDMONF-LLVKDONJSA-N -1 3 318.348 2.832 20 0 DFADHM FC(F)(F)[C@@H](CN=c1ncnc2[nH][n-]cc1-2)Cc1ccccc1 ZINC000356956454 158331471 /nfs/dbraw/zinc/33/14/71/158331471.db2.gz ZLDVGARKJBGRTQ-LLVKDONJSA-N -1 3 321.306 2.560 20 0 DFADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1cc([O-])ccc1Cl ZINC000357031848 158352474 /nfs/dbraw/zinc/35/24/74/158352474.db2.gz ZVKDIZWNJVAKKT-UHFFFAOYSA-N -1 3 302.717 2.541 20 0 DFADHM CCN(CC[N-]S(=O)(=O)c1ccc(C)o1)c1cccc(C)c1 ZINC000358465122 158381645 /nfs/dbraw/zinc/38/16/45/158381645.db2.gz RPHXSIRPPSUOQW-UHFFFAOYSA-N -1 3 322.430 2.701 20 0 DFADHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000360634787 299811394 /nfs/dbraw/zinc/81/13/94/299811394.db2.gz QGUQAERQOUPDGJ-QPUJVOFHSA-N -1 3 307.337 2.961 20 0 DFADHM COC(=O)c1cc(-c2nc(-c3ccc(C)c(F)c3)no2)c[n-]1 ZINC000430881597 296810520 /nfs/dbraw/zinc/81/05/20/296810520.db2.gz CRLCEXRVDGRMCW-UHFFFAOYSA-N -1 3 301.277 2.966 20 0 DFADHM Cc1cc(C)c(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)s1 ZINC000431541504 296838616 /nfs/dbraw/zinc/83/86/16/296838616.db2.gz AFCJLLZORPVXJR-ZETCQYMHSA-N -1 3 301.355 2.984 20 0 DFADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000128836080 195996367 /nfs/dbraw/zinc/99/63/67/195996367.db2.gz AHYWNHNHXVQLOE-JTQLQIEISA-N -1 3 323.817 2.555 20 0 DFADHM Cc1noc2ncc(S(=O)(=O)[N-]c3ccccc3Cl)cc12 ZINC000128947307 196005946 /nfs/dbraw/zinc/00/59/46/196005946.db2.gz LRDFIIIMZXRJLH-UHFFFAOYSA-N -1 3 323.761 2.985 20 0 DFADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1cccs1 ZINC000129778944 196074645 /nfs/dbraw/zinc/07/46/45/196074645.db2.gz ISPGFGIRQKBWJY-UHFFFAOYSA-N 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ZINC000668754267 543861068 /nfs/dbraw/zinc/86/10/68/543861068.db2.gz CTFJFXGCFQBNNO-UHFFFAOYSA-N -1 3 305.403 2.603 20 0 DFADHM C[C@@H](CNC(=O)c1ccc2[nH][n-]c(=O)c2c1)Cc1cccs1 ZINC000669192095 543917413 /nfs/dbraw/zinc/91/74/13/543917413.db2.gz FPPPWJMTTBAIAW-SNVBAGLBSA-N -1 3 315.398 2.939 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c[nH]1 ZINC000669675317 543982044 /nfs/dbraw/zinc/98/20/44/543982044.db2.gz DULBJGZWGSWWND-JTQLQIEISA-N -1 3 321.393 2.637 20 0 DFADHM Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1ccc([O-])cc1F ZINC000681337688 545629550 /nfs/dbraw/zinc/62/95/50/545629550.db2.gz QELOXYYEAJKJCZ-UHFFFAOYSA-N -1 3 303.215 2.834 20 0 DFADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000672430931 544137800 /nfs/dbraw/zinc/13/78/00/544137800.db2.gz MEMKZUYUVMJPBE-LBPRGKRZSA-N -1 3 319.373 2.778 20 0 DFADHM CC(=O)c1cccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000673586988 544185518 /nfs/dbraw/zinc/18/55/18/544185518.db2.gz QIEBPRZOECKDNE-UHFFFAOYSA-N -1 3 317.357 2.745 20 0 DFADHM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000673820293 544200942 /nfs/dbraw/zinc/20/09/42/544200942.db2.gz RNIMDQXKDBHZTB-ZDUSSCGKSA-N -1 3 321.446 2.751 20 0 DFADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CC12CCCC2 ZINC000673831240 544201503 /nfs/dbraw/zinc/20/15/03/544201503.db2.gz LWLPGWINVUIYGB-NSHDSACASA-N -1 3 308.403 2.577 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@@H]2c2cccc(F)c2)on1 ZINC000674013017 544214186 /nfs/dbraw/zinc/21/41/86/544214186.db2.gz JGKMKAFHZMKXKN-SMDDNHRTSA-N -1 3 303.337 2.896 20 0 DFADHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000674346790 544233151 /nfs/dbraw/zinc/23/31/51/544233151.db2.gz UEUNHLMFGMQFCH-JTQLQIEISA-N -1 3 322.883 2.554 20 0 DFADHM CCc1cccc(C(=O)NCCc2cn3cccc(C)c3n2)c1[O-] ZINC000674362149 544235285 /nfs/dbraw/zinc/23/52/85/544235285.db2.gz ITWGQEVBOQPLKA-UHFFFAOYSA-N -1 3 323.396 2.883 20 0 DFADHM CCc1cccc(C(=O)N[C@H]2CCCc3c2cnn3CC)c1[O-] ZINC000674362354 544235438 /nfs/dbraw/zinc/23/54/38/544235438.db2.gz NPWZXZLFYYARPK-HNNXBMFYSA-N -1 3 313.401 2.978 20 0 DFADHM CCc1cccc(C(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1[O-] ZINC000674362651 544235579 /nfs/dbraw/zinc/23/55/79/544235579.db2.gz YGMZVWQOSBHHDA-BXKDBHETSA-N -1 3 317.307 2.746 20 0 DFADHM CC[C@@H](C)CS(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000674419919 544238961 /nfs/dbraw/zinc/23/89/61/544238961.db2.gz XPYSLZYXQSQMLM-SSDOTTSWSA-N -1 3 313.316 2.709 20 0 DFADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])O1 ZINC000442800136 297207059 /nfs/dbraw/zinc/20/70/59/297207059.db2.gz LKZJIXCAVOBNRQ-HQJQHLMTSA-N -1 3 305.252 2.797 20 0 DFADHM CCN1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000674865463 544271369 /nfs/dbraw/zinc/27/13/69/544271369.db2.gz GPEQHJKLTXFFMN-KCJUWKMLSA-N -1 3 317.216 2.769 20 0 DFADHM Cc1ncsc1[N-]C(=O)c1noc(-c2cccc(F)c2)n1 ZINC000675519909 544317301 /nfs/dbraw/zinc/31/73/01/544317301.db2.gz URJUNZQYGUJITM-UHFFFAOYSA-N -1 3 304.306 2.893 20 0 DFADHM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000675760001 544333994 /nfs/dbraw/zinc/33/39/94/544333994.db2.gz COCRMOMWJFBIJX-UHFFFAOYSA-N -1 3 321.446 2.671 20 0 DFADHM Cn1nc2c(c1C(=O)Nc1cc(Cl)ccc1[O-])CCCC2 ZINC000676038149 544350947 /nfs/dbraw/zinc/35/09/47/544350947.db2.gz OCHMFNVOZNIDSA-UHFFFAOYSA-N -1 3 305.765 2.910 20 0 DFADHM Cc1ccc(CC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1C ZINC000676190710 544362376 /nfs/dbraw/zinc/36/23/76/544362376.db2.gz WKJMODACLRYUPH-UHFFFAOYSA-N -1 3 321.384 2.589 20 0 DFADHM Cc1ccc(CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC000676190710 544362377 /nfs/dbraw/zinc/36/23/77/544362377.db2.gz WKJMODACLRYUPH-UHFFFAOYSA-N -1 3 321.384 2.589 20 0 DFADHM CSc1ccc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000676649193 544391098 /nfs/dbraw/zinc/39/10/98/544391098.db2.gz ZHXRBGZQFXCPQS-UHFFFAOYSA-N -1 3 304.419 2.612 20 0 DFADHM COc1nnc([N-]C(=O)c2cscc2Br)s1 ZINC000676695097 544393222 /nfs/dbraw/zinc/39/32/22/544393222.db2.gz DJFCVXVHLZVRBH-UHFFFAOYSA-N -1 3 320.193 2.623 20 0 DFADHM Cc1cccc2oc(CCNC(=O)/C=C\c3cncc([O-])c3)nc21 ZINC000493862095 299844509 /nfs/dbraw/zinc/84/45/09/299844509.db2.gz YMUIKDCGRLXVBZ-WAYWQWQTSA-N -1 3 323.352 2.609 20 0 DFADHM Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c([O-])c1C ZINC000678313949 544649950 /nfs/dbraw/zinc/64/99/50/544649950.db2.gz KRCCATLAIFYTDP-JOYOIKCWSA-N -1 3 317.307 2.801 20 0 DFADHM CCc1nc([C@@H]2CCCN2C(=O)c2cccc(CC)c2[O-])no1 ZINC000678312070 544650128 /nfs/dbraw/zinc/65/01/28/544650128.db2.gz PFORERJKSZFUPI-ZDUSSCGKSA-N -1 3 315.373 2.877 20 0 DFADHM COc1ccccc1C(C)(C)CNC(=O)c1c([O-])cccc1O ZINC000678343111 544655530 /nfs/dbraw/zinc/65/55/30/544655530.db2.gz MNRNRJMLPXWLSY-UHFFFAOYSA-N -1 3 315.369 2.814 20 0 DFADHM Cc1ccncc1[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000678423961 544671138 /nfs/dbraw/zinc/67/11/38/544671138.db2.gz VRGBFFSRRANLAF-LBPRGKRZSA-N -1 3 307.353 2.723 20 0 DFADHM Cc1nccn1C[C@@H](C)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299461440 229130245 /nfs/dbraw/zinc/13/02/45/229130245.db2.gz XTTFREVWEPOUTO-LBPRGKRZSA-N -1 3 324.384 2.511 20 0 DFADHM COc1nnc(NC(=O)C(C)(C)c2ccc3ccccc3c2)[n-]1 ZINC000679320596 544831748 /nfs/dbraw/zinc/83/17/48/544831748.db2.gz YWPFKJJPTPPLGF-UHFFFAOYSA-N -1 3 310.357 2.883 20 0 DFADHM COc1nc(NC(=O)C(C)(C)c2ccc3ccccc3c2)n[n-]1 ZINC000679320596 544831751 /nfs/dbraw/zinc/83/17/51/544831751.db2.gz YWPFKJJPTPPLGF-UHFFFAOYSA-N -1 3 310.357 2.883 20 0 DFADHM COc1n[n-]c(NC(=O)C(C)(C)c2ccc3ccccc3c2)n1 ZINC000679320596 544831752 /nfs/dbraw/zinc/83/17/52/544831752.db2.gz YWPFKJJPTPPLGF-UHFFFAOYSA-N -1 3 310.357 2.883 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)ccc1[O-] ZINC000679407917 544850956 /nfs/dbraw/zinc/85/09/56/544850956.db2.gz XGEFVQITDWKXCG-JTQLQIEISA-N -1 3 311.341 2.774 20 0 DFADHM CCc1cc(=O)[n-]c(CN2C[C@H](C(F)(F)F)CC[C@H]2C)n1 ZINC000679543031 544870121 /nfs/dbraw/zinc/87/01/21/544870121.db2.gz BBTKZIWLSGGQRV-NXEZZACHSA-N -1 3 303.328 2.907 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OCc2csc(C)n2)cc1[O-] ZINC000494008638 299853564 /nfs/dbraw/zinc/85/35/64/299853564.db2.gz JRPLYHPUZSMIII-UHFFFAOYSA-N -1 3 322.342 2.692 20 0 DFADHM Cc1nccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1Cl ZINC000679648187 544890064 /nfs/dbraw/zinc/89/00/64/544890064.db2.gz SAEZQPFDSQFNRY-UHFFFAOYSA-N -1 3 317.197 2.920 20 0 DFADHM CO[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000680005408 544941817 /nfs/dbraw/zinc/94/18/17/544941817.db2.gz HOWNZZFPLBGOAR-HNNXBMFYSA-N -1 3 303.402 2.912 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680328044 544991226 /nfs/dbraw/zinc/99/12/26/544991226.db2.gz XYLNSWYWTHUPQC-ZDUSSCGKSA-N -1 3 317.316 2.530 20 0 DFADHM CCc1cnc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)s1 ZINC000680342253 544993779 /nfs/dbraw/zinc/99/37/79/544993779.db2.gz YUZYRWVOYROJFW-UHFFFAOYSA-N -1 3 313.386 2.598 20 0 DFADHM Cc1ccc(Cl)cc1NC(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000680369003 544999383 /nfs/dbraw/zinc/99/93/83/544999383.db2.gz WZOPCIJMTVVZKA-UHFFFAOYSA-N -1 3 318.764 2.734 20 0 DFADHM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)C1CCCCC1 ZINC000680106824 544958718 /nfs/dbraw/zinc/95/87/18/544958718.db2.gz BSFRDWZTWLQGAS-GFCCVEGCSA-N -1 3 317.357 2.650 20 0 DFADHM CCC[C@H](C)CS(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000680107776 544959231 /nfs/dbraw/zinc/95/92/31/544959231.db2.gz MKKYXDCWGJKIGR-CABZTGNLSA-N -1 3 319.373 2.754 20 0 DFADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000435632827 296967903 /nfs/dbraw/zinc/96/79/03/296967903.db2.gz STGUALAXSDRSSB-GMSGAONNSA-N -1 3 311.300 2.921 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3cc(N(C)C)ccn3)n[n-]2)o1 ZINC000680259014 544979754 /nfs/dbraw/zinc/97/97/54/544979754.db2.gz TYTGXYRIQUPMBV-UHFFFAOYSA-N -1 3 311.345 2.691 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3cc(N(C)C)ccn3)[n-]n2)o1 ZINC000680259014 544979759 /nfs/dbraw/zinc/97/97/59/544979759.db2.gz TYTGXYRIQUPMBV-UHFFFAOYSA-N -1 3 311.345 2.691 20 0 DFADHM C[C@H](NCc1nc2c(cnn2C)c(=O)[n-]1)c1cc2ccccc2o1 ZINC000680405701 545005187 /nfs/dbraw/zinc/00/51/87/545005187.db2.gz CLFCIDUGOPVBJN-JTQLQIEISA-N -1 3 323.356 2.666 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)NC(C(C)C)C(C)C)c([O-])c1 ZINC000680449825 545007846 /nfs/dbraw/zinc/00/78/46/545007846.db2.gz WGRGMJCULDTUAH-UHFFFAOYSA-N -1 3 320.433 2.617 20 0 DFADHM C[C@]1(C(=O)[O-])CCCN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000062876364 425900340 /nfs/dbraw/zinc/90/03/40/425900340.db2.gz BOQCLKUTSOGXES-HNNXBMFYSA-N -1 3 311.765 2.755 20 0 DFADHM COc1cccc(CCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000066920723 425907650 /nfs/dbraw/zinc/90/76/50/425907650.db2.gz INBJLFUUSPILLK-UHFFFAOYSA-N -1 3 311.428 2.668 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000067138936 425909005 /nfs/dbraw/zinc/90/90/05/425909005.db2.gz DVQFNBQRSFBKGC-JTQLQIEISA-N -1 3 322.792 2.775 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000067811320 425913644 /nfs/dbraw/zinc/91/36/44/425913644.db2.gz HQTCLMPKIYOKLS-WMLDXEAASA-N -1 3 304.349 2.814 20 0 DFADHM O=C(NCCCNC(=O)C1CCCCCC1)c1cccc([O-])c1 ZINC000102471242 425921015 /nfs/dbraw/zinc/92/10/15/425921015.db2.gz XZKYHKYLPFNWOQ-UHFFFAOYSA-N -1 3 318.417 2.599 20 0 DFADHM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1ccc2n[n-]nc2c1 ZINC000124443899 425919748 /nfs/dbraw/zinc/91/97/48/425919748.db2.gz VKTJPHZHOOEDKZ-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM Cc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCCCC2)c([O-])c1 ZINC000155730092 425924809 /nfs/dbraw/zinc/92/48/09/425924809.db2.gz WAUPFRORGZVAPM-GFCCVEGCSA-N -1 3 304.390 2.724 20 0 DFADHM CO[C@]1(C)C[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)C1(C)C ZINC000155707034 425925534 /nfs/dbraw/zinc/92/55/34/425925534.db2.gz IRXQEYCVKWRTQE-CZUORRHYSA-N -1 3 311.809 2.908 20 0 DFADHM Cc1[nH]nc2ncc(C(=O)[N-]c3nnc(C(C)(C)C)s3)cc12 ZINC000155813490 425927832 /nfs/dbraw/zinc/92/78/32/425927832.db2.gz YDYRBVFXSKRZSG-UHFFFAOYSA-N -1 3 316.390 2.668 20 0 DFADHM Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3ccccc3[O-])cc2)n1 ZINC000102836644 425929422 /nfs/dbraw/zinc/92/94/22/425929422.db2.gz IZFGLKBHEJYYCE-UHFFFAOYSA-N -1 3 321.336 2.703 20 0 DFADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(C2CC2)no1 ZINC000069128839 425930385 /nfs/dbraw/zinc/93/03/85/425930385.db2.gz SYAJCYJFCSSFEU-CYBMUJFWSA-N -1 3 321.402 2.623 20 0 DFADHM CCCN1CCCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000155991939 425931031 /nfs/dbraw/zinc/93/10/31/425931031.db2.gz HNMCODUJPXWEEG-UHFFFAOYSA-N -1 3 319.430 2.674 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C)nc2)c([O-])c1 ZINC000124770526 425937399 /nfs/dbraw/zinc/93/73/99/425937399.db2.gz LZAZNUJLLWLGRL-UHFFFAOYSA-N -1 3 300.314 2.525 20 0 DFADHM Cc1ncc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)s1 ZINC000103157207 425937717 /nfs/dbraw/zinc/93/77/17/425937717.db2.gz ZALPFCOEVHSQRB-UHFFFAOYSA-N -1 3 320.798 2.723 20 0 DFADHM Cc1ccccc1CCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000031545469 267395948 /nfs/dbraw/zinc/39/59/48/267395948.db2.gz MBEQJMWFKVFTBS-UHFFFAOYSA-N -1 3 306.365 2.809 20 0 DFADHM CCCC[C@H](CCC)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000177288328 267635434 /nfs/dbraw/zinc/63/54/34/267635434.db2.gz KPNQCYXAZJJAOA-LBPRGKRZSA-N -1 3 302.374 2.659 20 0 DFADHM O=S(=O)([N-]CCc1cccs1)c1ccc(F)c(F)c1 ZINC000006883911 425631007 /nfs/dbraw/zinc/63/10/07/425631007.db2.gz QCJQOIWLFPBSLN-UHFFFAOYSA-N -1 3 303.355 2.547 20 0 DFADHM Cc1cccc(C(=O)NCC(=O)Nc2c(C)cccc2C)c1[O-] ZINC000006993401 425633814 /nfs/dbraw/zinc/63/38/14/425633814.db2.gz JWIGTIKLGWPJTB-UHFFFAOYSA-N -1 3 312.369 2.686 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccn1 ZINC000007059039 425635337 /nfs/dbraw/zinc/63/53/37/425635337.db2.gz VZGVXOAPBLFCRK-MRVPVSSYSA-N -1 3 316.304 2.538 20 0 DFADHM O=S(=O)([N-]CCSc1ccccc1)c1ccccc1F ZINC000026358391 425812025 /nfs/dbraw/zinc/81/20/25/425812025.db2.gz NXZHCFYPOSIFNZ-UHFFFAOYSA-N -1 3 311.403 2.896 20 0 DFADHM CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000045343273 425860657 /nfs/dbraw/zinc/86/06/57/425860657.db2.gz SCEROTYSRDKWTI-UHFFFAOYSA-N -1 3 303.383 2.985 20 0 DFADHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccccc1F ZINC000046036733 425863726 /nfs/dbraw/zinc/86/37/26/425863726.db2.gz YXJPRUMWRKXSDC-JSGCOSHPSA-N -1 3 315.410 2.699 20 0 DFADHM COC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000028267880 425820976 /nfs/dbraw/zinc/82/09/76/425820976.db2.gz YNZPUHZSBWFYDH-UHFFFAOYSA-N -1 3 311.297 2.709 20 0 DFADHM COC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000028267880 425820979 /nfs/dbraw/zinc/82/09/79/425820979.db2.gz YNZPUHZSBWFYDH-UHFFFAOYSA-N -1 3 311.297 2.709 20 0 DFADHM Cc1nnc([N-]C(=O)c2csc(Br)c2)s1 ZINC000032062267 425837546 /nfs/dbraw/zinc/83/75/46/425837546.db2.gz XLVPSDYVLYSGJZ-UHFFFAOYSA-N -1 3 304.194 2.923 20 0 DFADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1ccccc1F ZINC000033568757 425842330 /nfs/dbraw/zinc/84/23/30/425842330.db2.gz TYJAKAJGDZLOFU-UHFFFAOYSA-N -1 3 301.289 2.582 20 0 DFADHM CCC[C@@H](NCc1cc(F)ccc1Br)C(=O)[O-] ZINC000036839220 425846603 /nfs/dbraw/zinc/84/66/03/425846603.db2.gz VIRNVADJODUNQX-LLVKDONJSA-N -1 3 304.159 2.931 20 0 DFADHM O=C([O-])CN(Cc1ccc(Br)cc1F)CC1CC1 ZINC000036885996 425846818 /nfs/dbraw/zinc/84/68/18/425846818.db2.gz ILVULBJITZEJKH-UHFFFAOYSA-N -1 3 316.170 2.885 20 0 DFADHM CC(C)CC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000037574673 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Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(C)c(C)c3[O-])C2)c1 ZINC000105885875 425969401 /nfs/dbraw/zinc/96/94/01/425969401.db2.gz KPOUKCZHHWIUCR-OAHLLOKOSA-N -1 3 313.401 2.991 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2nccs2)c(F)c1 ZINC000106237528 425972145 /nfs/dbraw/zinc/97/21/45/425972145.db2.gz NMTLTYFYESLIII-VIFPVBQESA-N -1 3 300.380 2.630 20 0 DFADHM O=C(C=Cc1cccc(F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070731309 425974570 /nfs/dbraw/zinc/97/45/70/425974570.db2.gz KWBBTMMIXOMMBM-BQYQJAHWSA-N -1 3 309.304 2.658 20 0 DFADHM O=C(C=Cc1cccc(F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070731309 425974573 /nfs/dbraw/zinc/97/45/73/425974573.db2.gz KWBBTMMIXOMMBM-BQYQJAHWSA-N -1 3 309.304 2.658 20 0 DFADHM O=C(CC[C@H]1CCOC1)Nc1cc(Br)ccc1[O-] ZINC000126513973 426023265 /nfs/dbraw/zinc/02/32/65/426023265.db2.gz DPLPOWUUUVIBFS-VIFPVBQESA-N -1 3 314.179 2.910 20 0 DFADHM CC(C)c1cc(C(=O)N2CCS(=O)CC2)c([O-])c(C(C)C)c1 ZINC000108896540 426024812 /nfs/dbraw/zinc/02/48/12/426024812.db2.gz WAKWDCUMZBVEGU-UHFFFAOYSA-N -1 3 323.458 2.844 20 0 DFADHM CCc1nc([C@@H](C)N[C@@H](C)C(=O)[N-]c2cc(C)no2)cs1 ZINC000111375982 426048168 /nfs/dbraw/zinc/04/81/68/426048168.db2.gz WWMUJHXRJTYWEP-ZJUUUORDSA-N -1 3 308.407 2.680 20 0 DFADHM Cc1ccc([C@H](C)NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000074468198 426051482 /nfs/dbraw/zinc/05/14/82/426051482.db2.gz FOSOQBSLVVPGDJ-LBPRGKRZSA-N -1 3 313.401 2.505 20 0 DFADHM Cc1ccc([O-])c(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000127170023 426054331 /nfs/dbraw/zinc/05/43/31/426054331.db2.gz QJBLZBLOHKWDRU-CQSZACIVSA-N -1 3 323.400 2.869 20 0 DFADHM Cc1ccc([O-])c(CNc2cc(F)cc(N3CCOCC3)c2)n1 ZINC000127170152 426054494 /nfs/dbraw/zinc/05/44/94/426054494.db2.gz LTKYZCYSKBLPND-UHFFFAOYSA-N -1 3 317.364 2.683 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000127370627 426063926 /nfs/dbraw/zinc/06/39/26/426063926.db2.gz VWXVWSIXKPQYNC-INIZCTEOSA-N -1 3 322.368 2.619 20 0 DFADHM COc1ccc(O[C@@H](C)CNC(=O)c2ccccc2[O-])cc1 ZINC000075179459 426066938 /nfs/dbraw/zinc/06/69/38/426066938.db2.gz BFDPFLDZUZKRKS-LBPRGKRZSA-N -1 3 301.342 2.598 20 0 DFADHM Cc1cccc(C)c1NC(=O)C[S@](=O)c1ccc([O-])cc1 ZINC000108083372 426009440 /nfs/dbraw/zinc/00/94/40/426009440.db2.gz OWMKUIGNALENTH-OAQYLSRUSA-N -1 3 303.383 2.755 20 0 DFADHM COc1ccccc1NC(=O)[C@H](C)[S@@](=O)c1ccc([O-])cc1 ZINC000108084651 426010310 /nfs/dbraw/zinc/01/03/10/426010310.db2.gz ZUUWTRHUFRURIM-SAHAZLINSA-N -1 3 319.382 2.536 20 0 DFADHM CCCO[C@@H]1CCCN(C(=O)c2cccc(OC)c2[O-])CC1 ZINC000108233311 426013179 /nfs/dbraw/zinc/01/31/79/426013179.db2.gz TURZPAPCOMBHME-CYBMUJFWSA-N -1 3 307.390 2.822 20 0 DFADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(OC)c2[O-])C1(C)C ZINC000127877601 426091255 /nfs/dbraw/zinc/09/12/55/426091255.db2.gz VEDMQGCXPSTJAT-UONOGXRCSA-N -1 3 307.390 2.676 20 0 DFADHM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(OC)c2[O-])C1(C)C ZINC000127877826 426091278 /nfs/dbraw/zinc/09/12/78/426091278.db2.gz VEDMQGCXPSTJAT-KBPBESRZSA-N -1 3 307.390 2.676 20 0 DFADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1cccs1 ZINC000163425920 426099405 /nfs/dbraw/zinc/09/94/05/426099405.db2.gz AFWMCXXJOHBJHR-KBPBESRZSA-N -1 3 323.439 2.947 20 0 DFADHM COc1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2O)on1 ZINC000128106063 426101971 /nfs/dbraw/zinc/10/19/71/426101971.db2.gz BMWDXGIKPOQPOF-UHFFFAOYSA-N -1 3 302.208 2.660 20 0 DFADHM CCOc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000113143783 426104652 /nfs/dbraw/zinc/10/46/52/426104652.db2.gz SWTDYJWKWWGWMH-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCOc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000113143783 426104656 /nfs/dbraw/zinc/10/46/56/426104656.db2.gz SWTDYJWKWWGWMH-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1ncccc1[O-] ZINC000113413737 426113814 /nfs/dbraw/zinc/11/38/14/426113814.db2.gz BFGDMNMFMIYKHM-UHFFFAOYSA-N -1 3 313.288 2.763 20 0 DFADHM CCSc1cc(Cl)ccc1C(=O)Nc1nnc(OC)[n-]1 ZINC000128421612 426117132 /nfs/dbraw/zinc/11/71/32/426117132.db2.gz LMLSOXRYKRXETA-UHFFFAOYSA-N -1 3 312.782 2.831 20 0 DFADHM CCSc1cc(Cl)ccc1C(=O)Nc1n[n-]c(OC)n1 ZINC000128421612 426117134 /nfs/dbraw/zinc/11/71/34/426117134.db2.gz LMLSOXRYKRXETA-UHFFFAOYSA-N -1 3 312.782 2.831 20 0 DFADHM CCSc1cc(Cl)ccc1C(=O)Nc1nc(OC)n[n-]1 ZINC000128421612 426117137 /nfs/dbraw/zinc/11/71/37/426117137.db2.gz LMLSOXRYKRXETA-UHFFFAOYSA-N -1 3 312.782 2.831 20 0 DFADHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1ccc(Cl)s1 ZINC000077179460 426121531 /nfs/dbraw/zinc/12/15/31/426121531.db2.gz VLEXMQBNLTYQBI-SNVBAGLBSA-N -1 3 323.867 2.621 20 0 DFADHM C[C@@]1(C(=O)Nc2cccc([O-])c2F)Cc2ccccc2C(=O)O1 ZINC000128532118 426121647 /nfs/dbraw/zinc/12/16/47/426121647.db2.gz FKQKAVLUFMHYDT-KRWDZBQOSA-N -1 3 315.300 2.642 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3C[C@H](C)O)c[n-]c12 ZINC000165306782 426122049 /nfs/dbraw/zinc/12/20/49/426122049.db2.gz XXARGARSUKRYCE-QWHCGFSZSA-N -1 3 314.385 2.624 20 0 DFADHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCc2ccccc2C1 ZINC000114417239 426133425 /nfs/dbraw/zinc/13/34/25/426133425.db2.gz WCXVPJHDIHUARR-OAHLLOKOSA-N -1 3 306.369 2.587 20 0 DFADHM O=C(Cc1c[nH]c2cc(F)ccc12)[N-]OCCC(F)(F)F ZINC000162746965 426075210 /nfs/dbraw/zinc/07/52/10/426075210.db2.gz GVBGBJSAIIEVNT-UHFFFAOYSA-N -1 3 304.243 2.850 20 0 DFADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccncc2C)cc1C ZINC000112496560 426080750 /nfs/dbraw/zinc/08/07/50/426080750.db2.gz JCIVSSNDFPBFLX-UHFFFAOYSA-N -1 3 306.387 2.816 20 0 DFADHM COCCCCCNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000127773507 426085424 /nfs/dbraw/zinc/08/54/24/426085424.db2.gz ALCKZAZHCGSUJP-UHFFFAOYSA-N -1 3 320.364 2.522 20 0 DFADHM Cc1noc([N-]C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)n1 ZINC000079665744 426200904 /nfs/dbraw/zinc/20/09/04/426200904.db2.gz OKUCBWAAPVWDBA-UHFFFAOYSA-N -1 3 317.736 2.778 20 0 DFADHM C[C@H]1CCN(Cc2cn3cc(Cl)ccc3n2)[C@H](C(=O)[O-])C1 ZINC000129479764 426139832 /nfs/dbraw/zinc/13/98/32/426139832.db2.gz QUWDGXVTKXSXET-GWCFXTLKSA-N -1 3 307.781 2.673 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000077612468 426142234 /nfs/dbraw/zinc/14/22/34/426142234.db2.gz QTLNCVKTTIXISY-GFCCVEGCSA-N -1 3 320.389 2.896 20 0 DFADHM COCCNc1ccccc1CNC(=O)c1ccc(C)cc1[O-] ZINC000130067245 426146313 /nfs/dbraw/zinc/14/63/13/426146313.db2.gz RHAKXQNLJDUISL-UHFFFAOYSA-N -1 3 314.385 2.689 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)ccc1F)c1ccccc1 ZINC000170735399 426146942 /nfs/dbraw/zinc/14/69/42/426146942.db2.gz ICNXPMYWUBDGHX-HNNXBMFYSA-N -1 3 323.389 2.800 20 0 DFADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000115053644 426152891 /nfs/dbraw/zinc/15/28/91/426152891.db2.gz FOTNVEDJSLFBPI-UHFFFAOYSA-N -1 3 313.386 2.845 20 0 DFADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000115053644 426152894 /nfs/dbraw/zinc/15/28/94/426152894.db2.gz FOTNVEDJSLFBPI-UHFFFAOYSA-N -1 3 313.386 2.845 20 0 DFADHM COCc1csc([N-]C(=O)c2cc(-c3ccncc3)on2)n1 ZINC000115242293 426158505 /nfs/dbraw/zinc/15/85/05/426158505.db2.gz UZSKKCXPCCNBDQ-UHFFFAOYSA-N -1 3 316.342 2.592 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1C ZINC000130453709 426160145 /nfs/dbraw/zinc/16/01/45/426160145.db2.gz COHYCRFMSVZRBG-GUYCJALGSA-N -1 3 321.442 2.794 20 0 DFADHM Cc1ccc2cccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c2n1 ZINC000131885056 426167203 /nfs/dbraw/zinc/16/72/03/426167203.db2.gz UQLCMZLNKSJTDP-UHFFFAOYSA-N -1 3 321.262 2.932 20 0 DFADHM Cc1ccc2cccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c2n1 ZINC000131885056 426167206 /nfs/dbraw/zinc/16/72/06/426167206.db2.gz UQLCMZLNKSJTDP-UHFFFAOYSA-N -1 3 321.262 2.932 20 0 DFADHM Cc1ccc([O-])c(CNC[C@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC000115629868 426170599 /nfs/dbraw/zinc/17/05/99/426170599.db2.gz FUXJUKBXVCCAGD-ZDUSSCGKSA-N -1 3 323.437 2.735 20 0 DFADHM Cc1cccc(C(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)c1[O-] ZINC000116050875 426177563 /nfs/dbraw/zinc/17/75/63/426177563.db2.gz RILBXSMPKCCSIF-KBPBESRZSA-N -1 3 318.417 2.514 20 0 DFADHM O=C(c1ccc([O-])cc1)C1CCN(CCc2ccncc2)CC1 ZINC000078657288 426179282 /nfs/dbraw/zinc/17/92/82/426179282.db2.gz PEFAVCGAMYIPMQ-UHFFFAOYSA-N -1 3 310.397 2.925 20 0 DFADHM Cc1c([O-])ccc2c(CN3CCS[C@H](C)C3)cc(=O)oc12 ZINC000171699425 426206112 /nfs/dbraw/zinc/20/61/12/426206112.db2.gz LXESSKMDFWAHKP-SNVBAGLBSA-N -1 3 305.399 2.744 20 0 DFADHM CCCn1c(=O)[n-]nc1SCCc1ccc2c(c1)CCO2 ZINC000133587377 426182370 /nfs/dbraw/zinc/18/23/70/426182370.db2.gz JMFRREKMKODGKX-UHFFFAOYSA-N -1 3 305.403 2.663 20 0 DFADHM Cc1nc(C)c(CC(=O)N2CCC[C@H](C(C)(C)C)CC2)c(=O)[n-]1 ZINC000116221503 426183173 /nfs/dbraw/zinc/18/31/73/426183173.db2.gz COVWNQAIFUDFDD-AWEZNQCLSA-N -1 3 319.449 2.604 20 0 DFADHM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc2n[n-]nc2c1 ZINC000116222540 426183791 /nfs/dbraw/zinc/18/37/91/426183791.db2.gz ZTDRHELZRYMNEZ-ZANVPECISA-N -1 3 314.295 2.522 20 0 DFADHM C[C@@H]1CN(Cc2cc([O-])ccc2Br)CCCO1 ZINC000134159851 426186201 /nfs/dbraw/zinc/18/62/01/426186201.db2.gz NBRITVVEQPOWBS-SNVBAGLBSA-N -1 3 300.196 2.766 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000171415377 426189015 /nfs/dbraw/zinc/18/90/15/426189015.db2.gz DUVMJJGPIGMJMP-ZETCQYMHSA-N -1 3 311.300 2.921 20 0 DFADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCC[C@H](C(C)C)C2)c(=O)[n-]1 ZINC000171516675 426191314 /nfs/dbraw/zinc/19/13/14/426191314.db2.gz XBILUZBGPVYPKD-GJZGRUSLSA-N -1 3 319.449 2.650 20 0 DFADHM Cc1ccc([C@H]2COCCN2C(=O)c2cc(C)ccc2[O-])o1 ZINC000116708146 426195189 /nfs/dbraw/zinc/19/51/89/426195189.db2.gz FZUGZENJWIQMKD-CQSZACIVSA-N -1 3 301.342 2.816 20 0 DFADHM CC(C)c1nn(C)c2sc(C(=O)[N-]c3nncs3)cc12 ZINC000079631943 426199331 /nfs/dbraw/zinc/19/93/31/426199331.db2.gz NKKQFYPYTSUTHA-UHFFFAOYSA-N -1 3 307.404 2.862 20 0 DFADHM CCCCS[C@H](C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135562916 426222941 /nfs/dbraw/zinc/22/29/41/426222941.db2.gz VQAYRKKZOORRAW-LLVKDONJSA-N -1 3 319.434 2.651 20 0 DFADHM CCCCS[C@H](C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135562916 426222942 /nfs/dbraw/zinc/22/29/42/426222942.db2.gz VQAYRKKZOORRAW-LLVKDONJSA-N -1 3 319.434 2.651 20 0 DFADHM CC1CC([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000135577476 426223729 /nfs/dbraw/zinc/22/37/29/426223729.db2.gz LFFKMCJQIAPNRZ-UHFFFAOYSA-N -1 3 322.199 2.665 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CCCC[C@@H]1c1nccs1 ZINC000172214785 426223861 /nfs/dbraw/zinc/22/38/61/426223861.db2.gz HKMKMUZWMSCORQ-CYBMUJFWSA-N -1 3 313.386 2.782 20 0 DFADHM Cc1ccc(C(=O)NCCc2nc3cc(F)ccc3[nH]2)c([O-])c1 ZINC000081796958 426226572 /nfs/dbraw/zinc/22/65/72/426226572.db2.gz CSIQCEVSVLIAPJ-UHFFFAOYSA-N -1 3 313.332 2.689 20 0 DFADHM CC[C@@]1(C)CN(Cc2cc(=O)oc3c(C)c([O-])ccc23)CCO1 ZINC000135650123 426226590 /nfs/dbraw/zinc/22/65/90/426226590.db2.gz PIWYAPLGITWRAW-SFHVURJKSA-N -1 3 317.385 2.808 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1[O-] ZINC000117982951 426228051 /nfs/dbraw/zinc/22/80/51/426228051.db2.gz MOYRSERGSJQKKP-UHFFFAOYSA-N -1 3 324.340 2.747 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)CC(F)(F)F)c2=O ZINC000135926316 426230972 /nfs/dbraw/zinc/23/09/72/426230972.db2.gz YSYHFRJZBFMCDF-UHFFFAOYSA-N -1 3 314.263 2.583 20 0 DFADHM COc1cccc(C(=O)Nc2ccccc2N(C)C(C)=O)c1[O-] ZINC000118263423 426231407 /nfs/dbraw/zinc/23/14/07/426231407.db2.gz BIOPNPZQOPQFPQ-UHFFFAOYSA-N -1 3 314.341 2.636 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000118366695 426234117 /nfs/dbraw/zinc/23/41/17/426234117.db2.gz LKTQETYROUFION-DOMZBBRYSA-N -1 3 316.405 2.529 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H]1Cc2ccccc2O1 ZINC000136148044 426235723 /nfs/dbraw/zinc/23/57/23/426235723.db2.gz VZULVLDGCZLVLG-AWEZNQCLSA-N -1 3 317.772 2.708 20 0 DFADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000084675009 426243325 /nfs/dbraw/zinc/24/33/25/426243325.db2.gz UADJJKCXDHTURX-SNVBAGLBSA-N -1 3 321.389 2.755 20 0 DFADHM O=C(c1ccc([O-])cc1)N1CCN(CCC2CCCC2)CC1 ZINC000085785760 426254578 /nfs/dbraw/zinc/25/45/78/426254578.db2.gz XLBLDLVIZZWJPC-UHFFFAOYSA-N -1 3 302.418 2.730 20 0 DFADHM COc1cccc(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)c1[O-] ZINC000174545554 426259482 /nfs/dbraw/zinc/25/94/82/426259482.db2.gz MLTXLMYAKHHYQQ-LLVKDONJSA-N -1 3 319.332 2.737 20 0 DFADHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000119089068 426261497 /nfs/dbraw/zinc/26/14/97/426261497.db2.gz YKXAYNKMWATDLI-JTQLQIEISA-N -1 3 317.389 2.849 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)C1 ZINC000119110493 426262317 /nfs/dbraw/zinc/26/23/17/426262317.db2.gz FKTBMNVLUUJIEA-VXGBXAGGSA-N -1 3 310.419 2.823 20 0 DFADHM Cc1nc(C)c(C(=O)[N-]c2nc(Cc3ccccc3)ns2)o1 ZINC000174696944 426262872 /nfs/dbraw/zinc/26/28/72/426262872.db2.gz NJZNSBQUXJKMKT-UHFFFAOYSA-N -1 3 314.370 2.986 20 0 DFADHM Cc1cccc(O[C@@H](C)CNC(=O)c2ccc(O)cc2[O-])c1 ZINC000174676269 426262924 /nfs/dbraw/zinc/26/29/24/426262924.db2.gz GIQCJEDWKZEDAO-LBPRGKRZSA-N -1 3 301.342 2.604 20 0 DFADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cccc3nn[n-]c32)CCO1 ZINC000119132144 426264760 /nfs/dbraw/zinc/26/47/60/426264760.db2.gz SGJSUOGCCFWBIZ-WFASDCNBSA-N -1 3 316.405 2.672 20 0 DFADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cccc3[n-]nnc32)CCO1 ZINC000119132144 426264761 /nfs/dbraw/zinc/26/47/61/426264761.db2.gz SGJSUOGCCFWBIZ-WFASDCNBSA-N -1 3 316.405 2.672 20 0 DFADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc32)CCO1 ZINC000119132144 426264764 /nfs/dbraw/zinc/26/47/64/426264764.db2.gz SGJSUOGCCFWBIZ-WFASDCNBSA-N -1 3 316.405 2.672 20 0 DFADHM CCc1noc(CC)c1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000087171927 426267333 /nfs/dbraw/zinc/26/73/33/426267333.db2.gz QGYDYCFNOPQLLF-UHFFFAOYSA-N -1 3 321.352 2.644 20 0 DFADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2cccs2)c1 ZINC000174963287 426271310 /nfs/dbraw/zinc/27/13/10/426271310.db2.gz FJDCXHDAZVQRMV-LLVKDONJSA-N -1 3 313.448 2.640 20 0 DFADHM COc1c(F)cc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cc1F ZINC000339260020 268784265 /nfs/dbraw/zinc/78/42/65/268784265.db2.gz UCZKKIQNYFJUNF-UHFFFAOYSA-N -1 3 321.205 2.968 20 0 DFADHM COc1c(F)cc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cc1F ZINC000339260020 268784267 /nfs/dbraw/zinc/78/42/67/268784267.db2.gz UCZKKIQNYFJUNF-UHFFFAOYSA-N -1 3 321.205 2.968 20 0 DFADHM Cc1ncsc1CN(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000171752498 426208963 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C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(-n2ccnc2)c1 ZINC000175384508 426300728 /nfs/dbraw/zinc/30/07/28/426300728.db2.gz ASRTTZHTAPGCAE-LBPRGKRZSA-N -1 3 323.352 2.775 20 0 DFADHM COc1ccc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c([O-])c1 ZINC000175462354 426307381 /nfs/dbraw/zinc/30/73/81/426307381.db2.gz RUKUPLWJDLRVAP-BLLLJJGKSA-N -1 3 307.390 2.582 20 0 DFADHM COc1cc(C)sc1C(=O)[N-]c1nc(SC)ns1 ZINC000175530393 426311322 /nfs/dbraw/zinc/31/13/22/426311322.db2.gz XSMRQHADECXOSF-UHFFFAOYSA-N -1 3 301.418 2.891 20 0 DFADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)noc1C ZINC000175698169 426321503 /nfs/dbraw/zinc/32/15/03/426321503.db2.gz GAYMRWOZXCNUDN-NWDGAFQWSA-N -1 3 318.464 2.634 20 0 DFADHM CCOc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000090371274 426326470 /nfs/dbraw/zinc/32/64/70/426326470.db2.gz YWVPTPIPEICXET-UHFFFAOYSA-N -1 3 313.279 2.800 20 0 DFADHM O=C(Cn1cccn1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000175848105 426333236 /nfs/dbraw/zinc/33/32/36/426333236.db2.gz ZJFGUSSUFXMXPQ-UHFFFAOYSA-N -1 3 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302.418 2.791 20 0 DFADHM O=S(=O)([N-]Cc1ccncc1)c1c(Cl)cccc1Cl ZINC000119423941 426287713 /nfs/dbraw/zinc/28/77/13/426287713.db2.gz COJCQELSUQENEE-UHFFFAOYSA-N -1 3 317.197 2.867 20 0 DFADHM COc1ccc(COCCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000091726268 426343249 /nfs/dbraw/zinc/34/32/49/426343249.db2.gz GJFUFMIOQNTPIG-UHFFFAOYSA-N -1 3 315.369 2.656 20 0 DFADHM CCOc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1CO ZINC000121492501 426346964 /nfs/dbraw/zinc/34/69/64/426346964.db2.gz LKSDEKZRNTYZFV-UHFFFAOYSA-N -1 3 301.342 2.844 20 0 DFADHM C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000121511162 426347520 /nfs/dbraw/zinc/34/75/20/426347520.db2.gz AEEJQYUOCQEQNG-PELKAZGASA-N -1 3 324.229 2.590 20 0 DFADHM C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000121511036 426348067 /nfs/dbraw/zinc/34/80/67/426348067.db2.gz AEEJQYUOCQEQNG-QPUJVOFHSA-N -1 3 324.229 2.590 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1[O-] ZINC000121529957 426349524 /nfs/dbraw/zinc/34/95/24/426349524.db2.gz 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426364170 /nfs/dbraw/zinc/36/41/70/426364170.db2.gz CBPRNBQKWYIJGG-ZENPSVBZSA-N -1 3 310.401 2.736 20 0 DFADHM Cc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c(F)cc1F ZINC000176284482 426367019 /nfs/dbraw/zinc/36/70/19/426367019.db2.gz KPDBARVCUZWCBV-UHFFFAOYSA-N -1 3 304.256 2.904 20 0 DFADHM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c(F)cc1F ZINC000176284482 426367023 /nfs/dbraw/zinc/36/70/23/426367023.db2.gz KPDBARVCUZWCBV-UHFFFAOYSA-N -1 3 304.256 2.904 20 0 DFADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(F)cc1F ZINC000176284482 426367027 /nfs/dbraw/zinc/36/70/27/426367027.db2.gz KPDBARVCUZWCBV-UHFFFAOYSA-N -1 3 304.256 2.904 20 0 DFADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(C)(C)C ZINC000122373668 426372143 /nfs/dbraw/zinc/37/21/43/426372143.db2.gz NHEAYQQGKPLDBF-ZDUSSCGKSA-N -1 3 321.389 2.613 20 0 DFADHM COC(=O)C1(N(C)C(=O)c2cccc(C)c2[O-])CCCCC1 ZINC000153180035 426374755 /nfs/dbraw/zinc/37/47/55/426374755.db2.gz AOGLYZRDLCNTLZ-UHFFFAOYSA-N -1 3 305.374 2.649 20 0 DFADHM [O-]C(=NOCCC(F)(F)F)Nc1cccnc1N1CCCC1 ZINC000122444572 426376442 /nfs/dbraw/zinc/37/64/42/426376442.db2.gz RWXPPABZDIAOLC-UHFFFAOYSA-N -1 3 318.299 2.687 20 0 DFADHM O=C([N-]OCCC(F)(F)F)Nc1cccnc1N1CCCC1 ZINC000122444572 426376444 /nfs/dbraw/zinc/37/64/44/426376444.db2.gz RWXPPABZDIAOLC-UHFFFAOYSA-N -1 3 318.299 2.687 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]Cc2noc3ccccc32)c1F ZINC000340053186 268934806 /nfs/dbraw/zinc/93/48/06/268934806.db2.gz LZFSXMFMPRBVGM-UHFFFAOYSA-N -1 3 320.345 2.754 20 0 DFADHM CC(C)CO[N-]C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000153287846 426379915 /nfs/dbraw/zinc/37/99/15/426379915.db2.gz SLXMCTKMGLNWJV-UHFFFAOYSA-N -1 3 305.296 2.874 20 0 DFADHM CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)c1c[n-]nn1 ZINC000122579985 426382883 /nfs/dbraw/zinc/38/28/83/426382883.db2.gz FACUJWISWRMEGM-GFCCVEGCSA-N -1 3 304.419 2.722 20 0 DFADHM CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)c1cnn[n-]1 ZINC000122579985 426382885 /nfs/dbraw/zinc/38/28/85/426382885.db2.gz FACUJWISWRMEGM-GFCCVEGCSA-N -1 3 304.419 2.722 20 0 DFADHM CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)c1cn[n-]n1 ZINC000122579985 426382887 /nfs/dbraw/zinc/38/28/87/426382887.db2.gz FACUJWISWRMEGM-GFCCVEGCSA-N -1 3 304.419 2.722 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000153550481 426391291 /nfs/dbraw/zinc/39/12/91/426391291.db2.gz CLHSZWLYDFGVAA-UONOGXRCSA-N -1 3 311.451 2.711 20 0 DFADHM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc3n[n-]nc3c2)C1 ZINC000176725198 426408448 /nfs/dbraw/zinc/40/84/48/426408448.db2.gz MFWDEJRWMVWDKM-NEPJUHHUSA-N -1 3 304.419 2.752 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCCc3occc32)s1 ZINC000176827144 426418522 /nfs/dbraw/zinc/41/85/22/426418522.db2.gz VUQLZXRCEXSARI-NSHDSACASA-N -1 3 312.416 2.709 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000176914970 426424206 /nfs/dbraw/zinc/42/42/06/426424206.db2.gz ZZOUYXKXVWZNRI-KBPBESRZSA-N -1 3 322.455 2.842 20 0 DFADHM CC(C)(C)c1noc(CO[N-]C(=O)CCCc2ccccc2)n1 ZINC000123483938 426436779 /nfs/dbraw/zinc/43/67/79/426436779.db2.gz 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426772181 /nfs/dbraw/zinc/77/21/81/426772181.db2.gz KCJLTGVNSUHNHR-UHFFFAOYSA-N -1 3 323.817 2.714 20 0 DFADHM O=S(=O)([N-][C@H]1CCCOCC1)c1ccc(Cl)cc1Cl ZINC000281852528 426778220 /nfs/dbraw/zinc/77/82/20/426778220.db2.gz YLQBIIYQBBBTRT-JTQLQIEISA-N -1 3 324.229 2.841 20 0 DFADHM CCc1ccccc1CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000188700546 426778795 /nfs/dbraw/zinc/77/87/95/426778795.db2.gz WJQKOJMEFCNPPZ-UHFFFAOYSA-N -1 3 309.373 2.554 20 0 DFADHM CCc1ccccc1CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000188700546 426778801 /nfs/dbraw/zinc/77/88/01/426778801.db2.gz WJQKOJMEFCNPPZ-UHFFFAOYSA-N -1 3 309.373 2.554 20 0 DFADHM COc1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)[n-]1 ZINC000179364961 426782573 /nfs/dbraw/zinc/78/25/73/426782573.db2.gz AYVMGPGZWBNOQD-ZIAGYGMSSA-N -1 3 308.341 2.709 20 0 DFADHM COc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)n[n-]1 ZINC000179364961 426782577 /nfs/dbraw/zinc/78/25/77/426782577.db2.gz AYVMGPGZWBNOQD-ZIAGYGMSSA-N -1 3 308.341 2.709 20 0 DFADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)n1 ZINC000179364961 426782582 /nfs/dbraw/zinc/78/25/82/426782582.db2.gz AYVMGPGZWBNOQD-ZIAGYGMSSA-N -1 3 308.341 2.709 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000179415033 426786793 /nfs/dbraw/zinc/78/67/93/426786793.db2.gz VSHHMODHQDZPNX-QPJJXVBHSA-N -1 3 323.352 2.788 20 0 DFADHM CCOc1cccc2[nH]cc(CC(=O)Nc3ncccc3[O-])c21 ZINC000188767320 426786915 /nfs/dbraw/zinc/78/69/15/426786915.db2.gz LBJZTRCUEJJPPB-UHFFFAOYSA-N -1 3 311.341 2.848 20 0 DFADHM COCc1cc(C(=O)[N-]c2nc(C(F)(F)F)cs2)no1 ZINC000266526596 426732562 /nfs/dbraw/zinc/73/25/62/426732562.db2.gz JMBAKIWKRMCZFE-UHFFFAOYSA-N -1 3 307.253 2.549 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1F ZINC000281666012 426740197 /nfs/dbraw/zinc/74/01/97/426740197.db2.gz NTKCNULUMFERBA-SNVBAGLBSA-N -1 3 307.337 2.848 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1F ZINC000281666010 426740242 /nfs/dbraw/zinc/74/02/42/426740242.db2.gz NTKCNULUMFERBA-JTQLQIEISA-N -1 3 307.337 2.848 20 0 DFADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1csc(Cl)c1 ZINC000188358949 426744144 /nfs/dbraw/zinc/74/41/44/426744144.db2.gz ZVRZIUOQWFCVKN-UHFFFAOYSA-N -1 3 319.777 2.758 20 0 DFADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1csc(Cl)c1 ZINC000188358949 426744147 /nfs/dbraw/zinc/74/41/47/426744147.db2.gz ZVRZIUOQWFCVKN-UHFFFAOYSA-N -1 3 319.777 2.758 20 0 DFADHM COc1ccc(C(=O)NC2(c3nc(C)cs3)CCC2)c([O-])c1 ZINC000266615145 426750560 /nfs/dbraw/zinc/75/05/60/426750560.db2.gz DKXXJCGCEDZAHW-UHFFFAOYSA-N -1 3 318.398 2.975 20 0 DFADHM CN(CCCOCc1ccccc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000281731048 426753329 /nfs/dbraw/zinc/75/33/29/426753329.db2.gz RWTWNRLJSOZSCP-UHFFFAOYSA-N -1 3 324.384 2.637 20 0 DFADHM CC(C)(CC(=O)[N-]OC[C@H]1CCOC1)CC(=O)c1ccccc1 ZINC000281743057 426754992 /nfs/dbraw/zinc/75/49/92/426754992.db2.gz INMAYAALUMIBCI-AWEZNQCLSA-N -1 3 319.401 2.760 20 0 DFADHM C[C@H]1CCN(C(=O)COCC(F)(F)F)c2c([O-])cccc21 ZINC000274382123 426757527 /nfs/dbraw/zinc/75/75/27/426757527.db2.gz NAJOTCSKXPFWGS-VIFPVBQESA-N -1 3 303.280 2.811 20 0 DFADHM C[C@@H]1CCN(C(=O)COCC(F)(F)F)c2c([O-])cccc21 ZINC000274382121 426757562 /nfs/dbraw/zinc/75/75/62/426757562.db2.gz NAJOTCSKXPFWGS-SECBINFHSA-N -1 3 303.280 2.811 20 0 DFADHM C[C@H]([N-]S(=O)(=O)CC(C)(C)C)c1noc(-c2ccccc2)n1 ZINC000281753737 426758612 /nfs/dbraw/zinc/75/86/12/426758612.db2.gz JLHIZGVZRPGNRD-NSHDSACASA-N -1 3 323.418 2.763 20 0 DFADHM CO[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@H](C)C1 ZINC000281756355 426759749 /nfs/dbraw/zinc/75/97/49/426759749.db2.gz KZZOOQVWXOZMER-OCCSQVGLSA-N -1 3 303.402 2.911 20 0 DFADHM Cc1ccc([O-])c(CNc2cc(N3CCOCC3)ccc2C)n1 ZINC000281762938 426760637 /nfs/dbraw/zinc/76/06/37/426760637.db2.gz SPKSKBGLDFEEJV-UHFFFAOYSA-N -1 3 313.401 2.853 20 0 DFADHM O=C(c1ccccc1[O-])N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000179164614 426762467 /nfs/dbraw/zinc/76/24/67/426762467.db2.gz KRULYASQELUMIP-HNNXBMFYSA-N -1 3 312.369 2.609 20 0 DFADHM CC(C)(C)c1ccc(OCC[N-]S(=O)(=O)c2ccco2)cc1 ZINC000188570525 426763754 /nfs/dbraw/zinc/76/37/54/426763754.db2.gz ZFEAEDLOOZZYKY-UHFFFAOYSA-N -1 3 323.414 2.934 20 0 DFADHM CC1(C)CN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC[C@H]1O ZINC000281934184 426797238 /nfs/dbraw/zinc/79/72/38/426797238.db2.gz RRYJYLIFVOBAMU-GFCCVEGCSA-N -1 3 317.307 2.644 20 0 DFADHM CCOCCC1(CNC(=O)/C=C/c2cncc([O-])c2)CCCC1 ZINC000179545757 426800179 /nfs/dbraw/zinc/80/01/79/426800179.db2.gz HOIFSZJAFSLTGE-AATRIKPKSA-N -1 3 318.417 2.904 20 0 DFADHM Cc1cccc([O-])c1NC(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000179555096 426800407 /nfs/dbraw/zinc/80/04/07/426800407.db2.gz ATUUVCYWCVKUCL-UHFFFAOYSA-N -1 3 320.389 2.896 20 0 DFADHM CCc1ccc(C(=O)Nc2cc(C(=O)NC)ccc2C)c([O-])c1 ZINC000189443181 426856972 /nfs/dbraw/zinc/85/69/72/426856972.db2.gz QZNHJSZKICVACM-UHFFFAOYSA-N -1 3 312.369 2.875 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000179558171 426803776 /nfs/dbraw/zinc/80/37/76/426803776.db2.gz 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/nfs/dbraw/zinc/83/67/96/426836796.db2.gz KPELWITZUJJBSB-KRWDZBQOSA-N -1 3 311.381 2.741 20 0 DFADHM CCCOc1cccc(CN2CCCC[C@H]2c2nc(=O)[n-][nH]2)c1 ZINC000295157918 426843389 /nfs/dbraw/zinc/84/33/89/426843389.db2.gz GGGQIILVVKWLRX-HNNXBMFYSA-N -1 3 316.405 2.614 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])N(CCO)CC(F)F ZINC000295165091 426847137 /nfs/dbraw/zinc/84/71/37/426847137.db2.gz NPXAZWHFAZKZNV-UHFFFAOYSA-N -1 3 323.339 2.564 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CCc2c1cccc2O ZINC000274851201 426851419 /nfs/dbraw/zinc/85/14/19/426851419.db2.gz HSTFPPGXQUBSTD-AWEZNQCLSA-N -1 3 321.373 2.806 20 0 DFADHM COC1CCN(C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)CC1 ZINC000274870543 426855296 /nfs/dbraw/zinc/85/52/96/426855296.db2.gz SMCMOZMEMZSQIE-UHFFFAOYSA-N -1 3 314.385 2.808 20 0 DFADHM C[C@@]1(C[N-]S(=O)(=O)c2ccco2)CCCc2ccccc21 ZINC000188808107 426790647 /nfs/dbraw/zinc/79/06/47/426790647.db2.gz FKCBUTSPBSPCRW-INIZCTEOSA-N -1 3 305.399 2.852 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCc1ccccc1Cl ZINC000179458646 426790743 /nfs/dbraw/zinc/79/07/43/426790743.db2.gz GLZMKERUPJEDJO-AATRIKPKSA-N -1 3 302.761 2.813 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCc1ccc(F)c(Cl)c1 ZINC000179470996 426793702 /nfs/dbraw/zinc/79/37/02/426793702.db2.gz SMGLDCIBMPCMIQ-DUXPYHPUSA-N -1 3 306.724 2.909 20 0 DFADHM Cc1cccc(O[C@@H](C)C(=O)[N-]c2nncn2-c2ccccc2)c1 ZINC000181102956 426914405 /nfs/dbraw/zinc/91/44/05/426914405.db2.gz RVUIEUZXDADJAD-AWEZNQCLSA-N -1 3 322.368 2.982 20 0 DFADHM CN(Cc1nccn1C(F)F)Cc1c(F)ccc([O-])c1F ZINC000295341142 426915456 /nfs/dbraw/zinc/91/54/56/426915456.db2.gz MSKRQOZOKBEJSN-UHFFFAOYSA-N -1 3 303.259 2.894 20 0 DFADHM C[C@H](O)CCN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000268127122 426918809 /nfs/dbraw/zinc/91/88/09/426918809.db2.gz DJOYWNCPZIMYMG-AWEZNQCLSA-N -1 3 313.397 2.826 20 0 DFADHM CCc1cc(C(=O)NC[C@@H](O)CCc2ccccc2)ccc1[O-] ZINC000291588783 426922273 /nfs/dbraw/zinc/92/22/73/426922273.db2.gz DGFNYPZXVUMLDE-KRWDZBQOSA-N -1 3 313.397 2.678 20 0 DFADHM CCCc1ccc(S(=O)(=O)[N-]c2cccc(CCO)c2)cc1 ZINC000313177852 426923201 /nfs/dbraw/zinc/92/32/01/426923201.db2.gz CLSDSBZMKQKURQ-UHFFFAOYSA-N -1 3 319.426 2.975 20 0 DFADHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000180466379 426862687 /nfs/dbraw/zinc/86/26/87/426862687.db2.gz XPNNROOIRNZLLT-VIFPVBQESA-N -1 3 305.353 2.699 20 0 DFADHM COC[C@]1(C(=O)[O-])CCN([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000314179953 426924689 /nfs/dbraw/zinc/92/46/89/426924689.db2.gz LBRAVYQRJUSUFG-BMIGLBTASA-N -1 3 315.772 2.963 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c([O-])c1 ZINC000282258770 426864564 /nfs/dbraw/zinc/86/45/64/426864564.db2.gz WABADANAYUBYMG-FVQBIDKESA-N -1 3 303.402 2.856 20 0 DFADHM C[C@@H](O)CCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000295225520 426869416 /nfs/dbraw/zinc/86/94/16/426869416.db2.gz NRKYSWQTFCCJEG-CYBMUJFWSA-N -1 3 301.386 2.755 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000305100160 426877046 /nfs/dbraw/zinc/87/70/46/426877046.db2.gz BAPPMILBLUSITF-CXAGYDPISA-N -1 3 323.820 2.742 20 0 DFADHM CCCNc1nnc(SCC(=O)Nc2ccccc2[O-])s1 ZINC000180684632 426878151 /nfs/dbraw/zinc/87/81/51/426878151.db2.gz KKJCQWOYIXZHMG-UHFFFAOYSA-N -1 3 324.431 2.796 20 0 DFADHM CCC(CC)(CCO)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000305113298 426880129 /nfs/dbraw/zinc/88/01/29/426880129.db2.gz IRCFIBGUKYEVNF-UHFFFAOYSA-N -1 3 313.825 2.893 20 0 DFADHM CN1CCC[C@H]1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000267505530 426883157 /nfs/dbraw/zinc/88/31/57/426883157.db2.gz KGSFKEPEKXBUTD-VIFPVBQESA-N -1 3 303.189 2.523 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCC(F)(F)C2)n[n-]1 ZINC000282331376 426883717 /nfs/dbraw/zinc/88/37/17/426883717.db2.gz WUZFGXGOLXNNSU-SECBINFHSA-N -1 3 309.320 2.574 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCC(F)(F)C2)[n-]n1 ZINC000282331376 426883724 /nfs/dbraw/zinc/88/37/24/426883724.db2.gz WUZFGXGOLXNNSU-SECBINFHSA-N -1 3 309.320 2.574 20 0 DFADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H](O)C(C)C)cc2)n1 ZINC000305152601 426887771 /nfs/dbraw/zinc/88/77/71/426887771.db2.gz AUTAGIRQGUYXBQ-AWEZNQCLSA-N -1 3 315.373 2.503 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)ccc1[O-] ZINC000291472881 426890904 /nfs/dbraw/zinc/89/09/04/426890904.db2.gz LVMUMYQQXBBCHZ-AWEZNQCLSA-N -1 3 315.373 2.666 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000180839928 426892596 /nfs/dbraw/zinc/89/25/96/426892596.db2.gz VJIOMQMVSUOVCA-UHFFFAOYSA-N -1 3 311.337 2.733 20 0 DFADHM CN(C)[C@@H](CNC(=O)c1ccc([O-])cc1F)c1cccc(F)c1 ZINC000181048374 426909547 /nfs/dbraw/zinc/90/95/47/426909547.db2.gz RMIMZGAQBKJZIA-INIZCTEOSA-N -1 3 320.339 2.703 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCCCSC ZINC000181043522 426910434 /nfs/dbraw/zinc/91/04/34/426910434.db2.gz FZOBQXRSVKJVNC-UHFFFAOYSA-N -1 3 314.407 2.886 20 0 DFADHM O=C([O-])CC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000316446557 426946264 /nfs/dbraw/zinc/94/62/64/426946264.db2.gz FQSYOGFATVVOQJ-CYBMUJFWSA-N -1 3 305.374 2.535 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 ZINC000291687411 426951310 /nfs/dbraw/zinc/95/13/10/426951310.db2.gz DCOYERLXIBKGMS-NSHDSACASA-N -1 3 317.393 2.983 20 0 DFADHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000295434839 426957221 /nfs/dbraw/zinc/95/72/21/426957221.db2.gz XXSUSZZXTPCCFM-NSHDSACASA-N -1 3 323.336 2.551 20 0 DFADHM COCCC1(CNC(=O)c2ccc([O-])c(OC)c2)CCCC1 ZINC000275965118 426958164 /nfs/dbraw/zinc/95/81/64/426958164.db2.gz IZIVKFKBMAIIOB-UHFFFAOYSA-N -1 3 307.390 2.728 20 0 DFADHM COc1ccc(C(=O)CCC(=O)[N-]OC/C=C/Cl)cc1F ZINC000291710477 426958784 /nfs/dbraw/zinc/95/87/84/426958784.db2.gz CZFCJFXYAJCSRI-FARCUNLSSA-N -1 3 315.728 2.598 20 0 DFADHM COc1cc(C(=O)NCc2ncc(C(C)(C)C)o2)ccc1[O-] ZINC000275995987 426963837 /nfs/dbraw/zinc/96/38/37/426963837.db2.gz NUEYLHWIRWOEKZ-UHFFFAOYSA-N -1 3 304.346 2.616 20 0 DFADHM O=C(Cc1cccc(OCC(F)(F)F)c1)[N-]OC/C=C/Cl ZINC000291722164 426965766 /nfs/dbraw/zinc/96/57/66/426965766.db2.gz DYWQWAQOUZHZLR-GORDUTHDSA-N -1 3 323.698 2.971 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000247950837 426968781 /nfs/dbraw/zinc/96/87/81/426968781.db2.gz YEMBWYMSDFSERS-GFCCVEGCSA-N -1 3 313.353 2.963 20 0 DFADHM CCN(C(=O)c1cccc(OC)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000291755223 426975890 /nfs/dbraw/zinc/97/58/90/426975890.db2.gz YVTJRJCQOAIVQR-GFCCVEGCSA-N -1 3 307.390 2.821 20 0 DFADHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]C(=O)C(C)(Cl)Cl ZINC000181761107 426979192 /nfs/dbraw/zinc/97/91/92/426979192.db2.gz YSKDFDDIFAKHFD-MRVPVSSYSA-N -1 3 305.209 2.546 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(N3CCCC3)s2)n1 ZINC000268333424 426987270 /nfs/dbraw/zinc/98/72/70/426987270.db2.gz NBHNAHUTVUNSFU-VIFPVBQESA-N -1 3 323.447 2.796 20 0 DFADHM CS[C@H]1CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000295514108 426988651 /nfs/dbraw/zinc/98/86/51/426988651.db2.gz HUGKXXHDBZMRGN-NSHDSACASA-N -1 3 302.399 2.826 20 0 DFADHM CC(C)[C@H](C(=O)Nc1cc(F)ccc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000247336001 426927601 /nfs/dbraw/zinc/92/76/01/426927601.db2.gz 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304.277 2.962 20 0 DFADHM C[C@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])c1nnc[nH]1 ZINC000175261811 271152372 /nfs/dbraw/zinc/15/23/72/271152372.db2.gz GIPLPTSUDYBCFD-QMMMGPOBSA-N -1 3 316.748 2.808 20 0 DFADHM Cc1noc(C)c1CCC(=O)N1CCCc2cccc([O-])c21 ZINC000182901771 427165678 /nfs/dbraw/zinc/16/56/78/427165678.db2.gz BQDYMEFYPBZPNL-UHFFFAOYSA-N -1 3 300.358 2.909 20 0 DFADHM Cn1c(CNC2(C(=O)[O-])CCCC2)nc2cc(Cl)ccc21 ZINC000269307719 427166085 /nfs/dbraw/zinc/16/60/85/427166085.db2.gz URLUMYLQRNCWCS-UHFFFAOYSA-N -1 3 307.781 2.714 20 0 DFADHM Cc1nc(C)c(CCC(=O)Nc2cccc(C(F)F)c2)c(=O)[n-]1 ZINC000195424739 271233964 /nfs/dbraw/zinc/23/39/64/271233964.db2.gz WTVMADROWCKMIL-UHFFFAOYSA-N -1 3 321.327 2.896 20 0 DFADHM CCc1nnc(CNC(=O)c2ccc3c(c2[O-])CCCC3)s1 ZINC000292304611 427167282 /nfs/dbraw/zinc/16/72/82/427167282.db2.gz SOUYVPMOCZKWCD-UHFFFAOYSA-N -1 3 317.414 2.615 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)NCCC[C@H](C)CO)c[n-]c12 ZINC000270519443 271301596 /nfs/dbraw/zinc/30/15/96/271301596.db2.gz 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CC(C)c1cnc(C[N-]c2nnc(-c3nccn3C)o2)s1 ZINC000191134934 427264445 /nfs/dbraw/zinc/26/44/45/427264445.db2.gz SZTFROQKKSLUHG-UHFFFAOYSA-N -1 3 304.379 2.662 20 0 DFADHM CC(C)(O)[C@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183397960 427264336 /nfs/dbraw/zinc/26/43/36/427264336.db2.gz RWXJJBQBYNYHSA-OAHLLOKOSA-N -1 3 303.402 2.647 20 0 DFADHM Cc1nc(C)c(CCC(=O)NC/C=C\c2ccccc2)c(=O)[n-]1 ZINC000255458900 427267822 /nfs/dbraw/zinc/26/78/22/427267822.db2.gz KYDJSEBUFLIZDB-TWGQIWQCSA-N -1 3 311.385 2.561 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccccc1-n1cccn1 ZINC000255495343 427271192 /nfs/dbraw/zinc/27/11/92/427271192.db2.gz UJNQICFPMVFTGJ-SREVYHEPSA-N -1 3 306.325 2.625 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)Nc1cnn(Cc2ccccc2)c1 ZINC000255537818 427276448 /nfs/dbraw/zinc/27/64/48/427276448.db2.gz WEZPSIYTRSCDFJ-SREVYHEPSA-N -1 3 320.352 2.684 20 0 DFADHM C[C@H](Cc1ccccc1F)NC(=O)/C=C\c1cncc([O-])c1 ZINC000255900979 427299830 /nfs/dbraw/zinc/29/98/30/427299830.db2.gz CNUDMXSKYWDLPF-ZHRWSRJISA-N -1 3 300.333 2.687 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)c([O-])c1 ZINC000191263822 427302816 /nfs/dbraw/zinc/30/28/16/427302816.db2.gz PDQRORSDUUSIKH-HNNXBMFYSA-N -1 3 313.401 2.937 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]C[C@@H](C)Cc2cccs2)s1 ZINC000269932404 427309001 /nfs/dbraw/zinc/30/90/01/427309001.db2.gz DBNGIFXLVICUKA-VIFPVBQESA-N -1 3 316.473 2.670 20 0 DFADHM O=C([N-]N1CCCCC1=O)c1cc(Cl)c(F)cc1Cl ZINC000293388653 427308999 /nfs/dbraw/zinc/30/89/99/427308999.db2.gz KMNSDGVOMHYSSU-UHFFFAOYSA-N -1 3 305.136 2.790 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)s1 ZINC000269928300 427309342 /nfs/dbraw/zinc/30/93/42/427309342.db2.gz CNCOAERORDXFAU-GFCCVEGCSA-N -1 3 324.427 2.644 20 0 DFADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2ccccc2F)C[C@H](C)O1 ZINC000338429713 427314969 /nfs/dbraw/zinc/31/49/69/427314969.db2.gz FMLCUMSUXUFXMC-RYUDHWBXSA-N -1 3 315.410 2.698 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)n1 ZINC000277778252 427315507 /nfs/dbraw/zinc/31/55/07/427315507.db2.gz JECWGLCORDNYEE-UGSOOPFHSA-N -1 3 310.353 2.775 20 0 DFADHM O=C(c1ccccc1[O-])N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183670157 427316316 /nfs/dbraw/zinc/31/63/16/427316316.db2.gz SDMRDYDGTVRBNQ-AWEZNQCLSA-N -1 3 301.317 2.825 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2ncoc2C2CC2)c([O-])c1 ZINC000293430984 427322527 /nfs/dbraw/zinc/32/25/27/427322527.db2.gz LRCFSEDCMLHOCE-UHFFFAOYSA-N -1 3 316.313 2.687 20 0 DFADHM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cccc(OC)c2[O-])[nH]1 ZINC000277814832 427329570 /nfs/dbraw/zinc/32/95/70/427329570.db2.gz LICKFPNTIFBMCQ-UWVGGRQHSA-N -1 3 318.377 2.523 20 0 DFADHM CSc1nnc(NC(=O)c2cc(C3CCCCC3)[nH]n2)[n-]1 ZINC000270356598 427332192 /nfs/dbraw/zinc/33/21/92/427332192.db2.gz QCYLOVZXPWNHKA-UHFFFAOYSA-N -1 3 306.395 2.550 20 0 DFADHM CSc1n[n-]c(NC(=O)c2cc(C3CCCCC3)[nH]n2)n1 ZINC000270356598 427332194 /nfs/dbraw/zinc/33/21/94/427332194.db2.gz QCYLOVZXPWNHKA-UHFFFAOYSA-N -1 3 306.395 2.550 20 0 DFADHM CSc1nc(NC(=O)c2cc(C3CCCCC3)[nH]n2)n[n-]1 ZINC000270356598 427332199 /nfs/dbraw/zinc/33/21/99/427332199.db2.gz QCYLOVZXPWNHKA-UHFFFAOYSA-N -1 3 306.395 2.550 20 0 DFADHM O=C(CCC1CCCCC1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331132275 427353391 /nfs/dbraw/zinc/35/33/91/427353391.db2.gz TVEARVPSHNQVRM-UHFFFAOYSA-N -1 3 304.316 2.800 20 0 DFADHM O=C(CCC1CCCCC1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331132275 427353396 /nfs/dbraw/zinc/35/33/96/427353396.db2.gz TVEARVPSHNQVRM-UHFFFAOYSA-N -1 3 304.316 2.800 20 0 DFADHM O=C(CCC1CCCCC1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331132275 427353404 /nfs/dbraw/zinc/35/34/04/427353404.db2.gz TVEARVPSHNQVRM-UHFFFAOYSA-N -1 3 304.316 2.800 20 0 DFADHM Cc1ccc2c(CN3CC[S@](=O)CC[C@H]3C)ccc([O-])c2n1 ZINC000338381415 427288196 /nfs/dbraw/zinc/28/81/96/427288196.db2.gz VRVSAGRKRBCZQD-MCMMXHMISA-N -1 3 318.442 2.592 20 0 DFADHM NC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000330667261 427288155 /nfs/dbraw/zinc/28/81/55/427288155.db2.gz BGSZQNCQZRBARH-UHFFFAOYSA-N -1 3 322.839 2.774 20 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-1 3 313.401 2.692 20 0 DFADHM O=c1[n-]nc(C2CCN(CCCCc3ccccc3)CC2)o1 ZINC000295126555 427702189 /nfs/dbraw/zinc/70/21/89/427702189.db2.gz BSVPRTJBZQXWQY-UHFFFAOYSA-N -1 3 301.390 2.565 20 0 DFADHM COc1cc(-c2noc(/C=C\c3cncc([O-])c3)n2)cc(C)n1 ZINC000339150049 427704897 /nfs/dbraw/zinc/70/48/97/427704897.db2.gz MXOMYGFMDKOGHC-ARJAWSKDSA-N -1 3 310.313 2.720 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N[C@H]3CCCOCC3)c(=O)c2c1 ZINC000287875883 427707735 /nfs/dbraw/zinc/70/77/35/427707735.db2.gz NSOMTOBLIAXAOB-LBPRGKRZSA-N -1 3 300.358 2.548 20 0 DFADHM Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185794328 427709031 /nfs/dbraw/zinc/70/90/31/427709031.db2.gz QWDPZMTXXWDFNL-NSHDSACASA-N -1 3 313.401 2.804 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000339163071 427711427 /nfs/dbraw/zinc/71/14/27/427711427.db2.gz ADLBEPXKDBQGCN-LLVKDONJSA-N -1 3 312.316 2.658 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC/C=C/c2ccccc2)c1 ZINC000339171547 427714887 /nfs/dbraw/zinc/71/48/87/427714887.db2.gz ROOGEYXPIYGJDF-VMPITWQZSA-N -1 3 310.353 2.794 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000333973412 427719896 /nfs/dbraw/zinc/71/98/96/427719896.db2.gz DRYJGIYOOYZTJO-RNCFNFMXSA-N -1 3 317.307 2.956 20 0 DFADHM CCO[C@@H]1C[C@H](NCc2cccc([O-])c2Cl)[C@@]12CCCO2 ZINC000339347238 427756545 /nfs/dbraw/zinc/75/65/45/427756545.db2.gz GBRRLTWPNXNCMK-LZWOXQAQSA-N -1 3 311.809 2.862 20 0 DFADHM O=C1NCCc2ccc(CNCc3cccc([O-])c3Cl)cc21 ZINC000339346555 427757129 /nfs/dbraw/zinc/75/71/29/427757129.db2.gz MUDZBPXMXRJIHD-UHFFFAOYSA-N -1 3 316.788 2.621 20 0 DFADHM CN(C)Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cn1 ZINC000339353696 427758418 /nfs/dbraw/zinc/75/84/18/427758418.db2.gz YNNKDDBTBRQDOT-UHFFFAOYSA-N -1 3 305.765 2.755 20 0 DFADHM CC[C@@H](C)[C@@H](NC(=O)c1cccc([O-])c1)C(=O)OC(C)(C)C ZINC000336855279 427760661 /nfs/dbraw/zinc/76/06/61/427760661.db2.gz HHORYSCOVBRQKG-BXUZGUMPSA-N -1 3 307.390 2.878 20 0 DFADHM CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc([O-])cc1F ZINC000337041007 427791082 /nfs/dbraw/zinc/79/10/82/427791082.db2.gz KHNGWXHCVZRUHN-ZDUSSCGKSA-N -1 3 310.369 2.657 20 0 DFADHM Cc1cc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)ccc1[O-] ZINC000336873294 427769623 /nfs/dbraw/zinc/76/96/23/427769623.db2.gz SCIPJRIZWKJNAC-KRWDZBQOSA-N -1 3 310.397 2.830 20 0 DFADHM COc1ccc(CC(=O)Nc2cc(Cl)cc(C)c2[O-])nc1 ZINC000339424038 427772046 /nfs/dbraw/zinc/77/20/46/427772046.db2.gz SPIRFHIRWVLVTO-UHFFFAOYSA-N -1 3 306.749 2.939 20 0 DFADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(C)(C)C ZINC000339451088 427777502 /nfs/dbraw/zinc/77/75/02/427777502.db2.gz PIJNXDNRBYMMRS-GFCCVEGCSA-N -1 3 323.817 2.819 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2cc3cc(Cl)ccn3n2)n1 ZINC000339514557 427786606 /nfs/dbraw/zinc/78/66/06/427786606.db2.gz DNHNEMVWWMQKAT-UHFFFAOYSA-N -1 3 302.721 2.649 20 0 DFADHM [O-]c1cccc(CNC[C@H](CO)Cc2ccccc2)c1Cl ZINC000339199047 427727907 /nfs/dbraw/zinc/72/79/07/427727907.db2.gz KRCDRVPBOWWREO-CQSZACIVSA-N -1 3 305.805 2.986 20 0 DFADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000185923975 427729947 /nfs/dbraw/zinc/72/99/47/427729947.db2.gz PLYLHKAPECBVRY-UHFFFAOYSA-N -1 3 324.229 2.887 20 0 DFADHM CCOc1ccc([C@@H](NC(=O)c2c[n-]nn2)c2ccccc2)cc1 ZINC000194177124 427733485 /nfs/dbraw/zinc/73/34/85/427733485.db2.gz PXZKCNGWAXHDTE-KRWDZBQOSA-N -1 3 322.368 2.723 20 0 DFADHM CCOc1ccc([C@@H](NC(=O)c2cnn[n-]2)c2ccccc2)cc1 ZINC000194177124 427733489 /nfs/dbraw/zinc/73/34/89/427733489.db2.gz PXZKCNGWAXHDTE-KRWDZBQOSA-N -1 3 322.368 2.723 20 0 DFADHM CCOc1ccc([C@@H](NC(=O)c2cn[n-]n2)c2ccccc2)cc1 ZINC000194177124 427733493 /nfs/dbraw/zinc/73/34/93/427733493.db2.gz PXZKCNGWAXHDTE-KRWDZBQOSA-N -1 3 322.368 2.723 20 0 DFADHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000186013779 427740963 /nfs/dbraw/zinc/74/09/63/427740963.db2.gz BFWWZFPWQLOUDX-UONOGXRCSA-N -1 3 315.410 2.698 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)cc1[O-] ZINC000334106842 427740999 /nfs/dbraw/zinc/74/09/99/427740999.db2.gz YLPRIEWHSDSXGA-DOTOQJQBSA-N -1 3 319.401 2.918 20 0 DFADHM CCC(CC)c1nnc([N-]C(=O)c2oc(CO)cc2C)s1 ZINC000339263385 427745266 /nfs/dbraw/zinc/74/52/66/427745266.db2.gz GVFFPAHLIQKPNA-UHFFFAOYSA-N -1 3 309.391 3.088 20 0 DFADHM CC(C)Cc1nnc(NC(=O)c2cc(C(F)(F)F)n[n-]2)s1 ZINC000339267213 427746612 /nfs/dbraw/zinc/74/66/12/427746612.db2.gz YYMUATYXWUPDNT-UHFFFAOYSA-N -1 3 319.312 2.731 20 0 DFADHM [O-]c1cccc(CNCc2cccc(-n3cncn3)c2)c1Cl ZINC000339269706 427746878 /nfs/dbraw/zinc/74/68/78/427746878.db2.gz ICLSTRRKNYRWEN-UHFFFAOYSA-N -1 3 314.776 2.916 20 0 DFADHM COc1ccc(CCCN(C)C(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000194583886 427748661 /nfs/dbraw/zinc/74/86/61/427748661.db2.gz OYRLYZYJKVENNI-UHFFFAOYSA-N -1 3 324.384 2.671 20 0 DFADHM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1cc(C(F)(F)F)n[n-]1 ZINC000339288650 427751559 /nfs/dbraw/zinc/75/15/59/427751559.db2.gz ZBXCQRJXRUSBJN-UHFFFAOYSA-N -1 3 324.262 2.566 20 0 DFADHM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1cc(C(F)(F)F)[n-]n1 ZINC000339288650 427751561 /nfs/dbraw/zinc/75/15/61/427751561.db2.gz ZBXCQRJXRUSBJN-UHFFFAOYSA-N -1 3 324.262 2.566 20 0 DFADHM CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1ncccc1[O-] ZINC000337119697 427801695 /nfs/dbraw/zinc/80/16/95/427801695.db2.gz CTWPISVTISBKEM-UHFFFAOYSA-N -1 3 324.384 2.549 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CCSC)nc2)n1 ZINC000301566993 427806267 /nfs/dbraw/zinc/80/62/67/427806267.db2.gz MTESTRWBJWRJIE-UHFFFAOYSA-N -1 3 304.419 2.606 20 0 DFADHM CC(C)[C@](C)(Cc1ccc(Cl)cc1)NCc1nc(=O)n(C)[n-]1 ZINC000339650443 427807472 /nfs/dbraw/zinc/80/74/72/427807472.db2.gz OWOSIFUUTPWISC-INIZCTEOSA-N -1 3 322.840 2.509 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cc(OC)c(OC)cc2F)c1 ZINC000337182383 427810184 /nfs/dbraw/zinc/81/01/84/427810184.db2.gz RIAFVUQMFJUCBM-UHFFFAOYSA-N -1 3 321.304 2.809 20 0 DFADHM C[C@](O)(CC(=O)Nc1cc(Br)ccc1[O-])C1CC1 ZINC000339690901 427812962 /nfs/dbraw/zinc/81/29/62/427812962.db2.gz JNZCOIRUWMPRKW-ZDUSSCGKSA-N -1 3 314.179 2.644 20 0 DFADHM COc1ccc2c(NCc3ccc([O-])c(F)c3)ncnc2c1F ZINC000337239724 427820950 /nfs/dbraw/zinc/82/09/50/427820950.db2.gz MVEKKCNDIOAWGN-UHFFFAOYSA-N -1 3 317.295 3.234 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)Cc2ccc(C)c(F)c2)o1 ZINC000345627635 427833215 /nfs/dbraw/zinc/83/32/15/427833215.db2.gz HVRNAUNUVXFIEC-NSHDSACASA-N -1 3 312.366 2.611 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)C(F)(F)F ZINC000345647627 427844621 /nfs/dbraw/zinc/84/46/21/427844621.db2.gz XSUGNKXHQWEARB-QPUJVOFHSA-N -1 3 323.336 2.629 20 0 DFADHM COc1cccc2c1[C@@H](C(=O)Nc1nnc(-c3ccco3)[n-]1)CC2 ZINC000339861523 427855059 /nfs/dbraw/zinc/85/50/59/427855059.db2.gz ROSXGKBJDKYJFN-NSHDSACASA-N -1 3 324.340 2.742 20 0 DFADHM COc1cccc2c1[C@@H](C(=O)Nc1nc(-c3ccco3)n[n-]1)CC2 ZINC000339861523 427855064 /nfs/dbraw/zinc/85/50/64/427855064.db2.gz ROSXGKBJDKYJFN-NSHDSACASA-N -1 3 324.340 2.742 20 0 DFADHM COc1cccc2c1[C@@H](C(=O)Nc1n[n-]c(-c3ccco3)n1)CC2 ZINC000339861523 427855067 /nfs/dbraw/zinc/85/50/67/427855067.db2.gz ROSXGKBJDKYJFN-NSHDSACASA-N -1 3 324.340 2.742 20 0 DFADHM CN(Cc1ccc(F)cc1F)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000337367215 427867415 /nfs/dbraw/zinc/86/74/15/427867415.db2.gz MQMCOYJASOWMDV-UHFFFAOYSA-N -1 3 320.274 2.647 20 0 DFADHM CN(Cc1ccc(F)cc1F)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000337367215 427867421 /nfs/dbraw/zinc/86/74/21/427867421.db2.gz MQMCOYJASOWMDV-UHFFFAOYSA-N -1 3 320.274 2.647 20 0 DFADHM CN(Cc1ccc(F)cc1F)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000337367215 427867428 /nfs/dbraw/zinc/86/74/28/427867428.db2.gz MQMCOYJASOWMDV-UHFFFAOYSA-N -1 3 320.274 2.647 20 0 DFADHM CCOc1nc2cc(C(=O)N(C)CCc3ccccn3)ccc2[n-]1 ZINC000346330713 272623529 /nfs/dbraw/zinc/62/35/29/272623529.db2.gz HVLKSCBNNBNTPZ-UHFFFAOYSA-N -1 3 324.384 2.671 20 0 DFADHM CCOc1nc2ccc(C(=O)N(C)CCc3ccccn3)cc2[n-]1 ZINC000346330713 272623531 /nfs/dbraw/zinc/62/35/31/272623531.db2.gz HVLKSCBNNBNTPZ-UHFFFAOYSA-N -1 3 324.384 2.671 20 0 DFADHM CC(C)c1noc(=N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)[n-]1 ZINC000359488252 427873907 /nfs/dbraw/zinc/87/39/07/427873907.db2.gz PCHKWNXLVYQJOB-DZGCQCFKSA-N -1 3 300.406 2.862 20 0 DFADHM COCc1ncsc1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000339927607 427875442 /nfs/dbraw/zinc/87/54/42/427875442.db2.gz USGYKAJHGWDIAB-UHFFFAOYSA-N -1 3 302.277 2.959 20 0 DFADHM O=C(Nc1nccc2sccc21)c1cc(F)cc2[n-]nnc21 ZINC000337392755 427881158 /nfs/dbraw/zinc/88/11/58/427881158.db2.gz IASMIUVFTWGVJX-UHFFFAOYSA-N -1 3 313.317 2.959 20 0 DFADHM O=C(Nc1nccc2sccc21)c1cc(F)cc2nn[n-]c21 ZINC000337392755 427881162 /nfs/dbraw/zinc/88/11/62/427881162.db2.gz IASMIUVFTWGVJX-UHFFFAOYSA-N -1 3 313.317 2.959 20 0 DFADHM O=C(Nc1nccc2sccc21)c1cc(F)cc2n[n-]nc21 ZINC000337392755 427881166 /nfs/dbraw/zinc/88/11/66/427881166.db2.gz IASMIUVFTWGVJX-UHFFFAOYSA-N -1 3 313.317 2.959 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(=O)[nH]1 ZINC000339958273 427885046 /nfs/dbraw/zinc/88/50/46/427885046.db2.gz FQYWJTDLVJVRPQ-UHFFFAOYSA-N -1 3 309.119 2.508 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCC(=O)c2ccccc21 ZINC000339960622 427888134 /nfs/dbraw/zinc/88/81/34/427888134.db2.gz UIBADODCHCGJHC-AWEZNQCLSA-N -1 3 313.328 2.908 20 0 DFADHM CCN(CC)S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000346484231 272644757 /nfs/dbraw/zinc/64/47/57/272644757.db2.gz ODSJKFLEUVJDLF-UHFFFAOYSA-N -1 3 316.471 2.661 20 0 DFADHM CC[C@@H](C)n1ncc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1C ZINC000359528360 427893388 /nfs/dbraw/zinc/89/33/88/427893388.db2.gz UWRXBAOEJRJYGJ-SECBINFHSA-N -1 3 314.349 2.793 20 0 DFADHM CC[C@@H](C)n1ncc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1C ZINC000359528360 427893392 /nfs/dbraw/zinc/89/33/92/427893392.db2.gz UWRXBAOEJRJYGJ-SECBINFHSA-N -1 3 314.349 2.793 20 0 DFADHM CC[C@@H](C)n1ncc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1C ZINC000359528360 427893396 /nfs/dbraw/zinc/89/33/96/427893396.db2.gz UWRXBAOEJRJYGJ-SECBINFHSA-N -1 3 314.349 2.793 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@H]1Cc1ccccc1 ZINC000349917356 427895874 /nfs/dbraw/zinc/89/58/74/427895874.db2.gz ZNWLVGYPNKGECJ-HNNXBMFYSA-N -1 3 318.376 2.985 20 0 DFADHM COc1cc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)ccn1 ZINC000345767672 427897575 /nfs/dbraw/zinc/89/75/75/427897575.db2.gz PSAMNSWIFREMDK-UHFFFAOYSA-N -1 3 320.312 2.592 20 0 DFADHM Cc1nc([N-]C(=O)c2cnc(-c3ccccc3F)s2)nn1C ZINC000355793796 427897850 /nfs/dbraw/zinc/89/78/50/427897850.db2.gz AMTRWXHJHJQQPH-UHFFFAOYSA-N -1 3 317.349 2.638 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000345783280 427904194 /nfs/dbraw/zinc/90/41/94/427904194.db2.gz KCJPDUPVLSEZPA-NXEZZACHSA-N -1 3 310.781 2.584 20 0 DFADHM CC[C@H]1CCCC[C@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000355809449 427904437 /nfs/dbraw/zinc/90/44/37/427904437.db2.gz HQPRIXYQBMIWBI-DZGCQCFKSA-N -1 3 313.405 2.699 20 0 DFADHM CC[C@H]1CCCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000355809449 427904441 /nfs/dbraw/zinc/90/44/41/427904441.db2.gz HQPRIXYQBMIWBI-DZGCQCFKSA-N -1 3 313.405 2.699 20 0 DFADHM Cc1ccc(CC[C@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)o1 ZINC000337442225 427907366 /nfs/dbraw/zinc/90/73/66/427907366.db2.gz GMQOVDKAGNGLEC-VIFPVBQESA-N -1 3 316.336 2.750 20 0 DFADHM Cc1ccc(CC[C@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)o1 ZINC000337442225 427907371 /nfs/dbraw/zinc/90/73/71/427907371.db2.gz GMQOVDKAGNGLEC-VIFPVBQESA-N -1 3 316.336 2.750 20 0 DFADHM Cc1ccc(CC[C@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)o1 ZINC000337442225 427907377 /nfs/dbraw/zinc/90/73/77/427907377.db2.gz GMQOVDKAGNGLEC-VIFPVBQESA-N -1 3 316.336 2.750 20 0 DFADHM CC(C)[C@@H]1C[C@@H]1c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000345793831 427907587 /nfs/dbraw/zinc/90/75/87/427907587.db2.gz DYCFGPUGAGHNSH-STQMWFEESA-N -1 3 321.402 2.868 20 0 DFADHM Cc1cc(C)c(CNC(=O)c2cc(F)cc3nn[n-]c32)c(C)c1 ZINC000337449144 427910360 /nfs/dbraw/zinc/91/03/60/427910360.db2.gz RYHXUTFUGSUFOA-UHFFFAOYSA-N -1 3 312.348 2.952 20 0 DFADHM Cc1cc(C)c(CNC(=O)c2cc(F)cc3[n-]nnc32)c(C)c1 ZINC000337449144 427910364 /nfs/dbraw/zinc/91/03/64/427910364.db2.gz RYHXUTFUGSUFOA-UHFFFAOYSA-N -1 3 312.348 2.952 20 0 DFADHM Cc1cc(C)c(CNC(=O)c2cc(F)cc3n[n-]nc32)c(C)c1 ZINC000337449144 427910367 /nfs/dbraw/zinc/91/03/67/427910367.db2.gz RYHXUTFUGSUFOA-UHFFFAOYSA-N -1 3 312.348 2.952 20 0 DFADHM CS(=O)(=O)[N-]c1cc(-c2nc(-c3ccco3)no2)ccc1F ZINC000340655731 427916737 /nfs/dbraw/zinc/91/67/37/427916737.db2.gz KSRMMDHBVUORSI-UHFFFAOYSA-N -1 3 323.305 2.507 20 0 DFADHM Cc1cc(NC(=O)c2cc(F)cc3[n-]nnc32)cc2n[nH]cc21 ZINC000337463264 427918727 /nfs/dbraw/zinc/91/87/27/427918727.db2.gz NKGSARVIWTWQKB-UHFFFAOYSA-N -1 3 310.292 2.534 20 0 DFADHM Cc1cc(NC(=O)c2cc(F)cc3nn[n-]c32)cc2n[nH]cc21 ZINC000337463264 427918731 /nfs/dbraw/zinc/91/87/31/427918731.db2.gz NKGSARVIWTWQKB-UHFFFAOYSA-N -1 3 310.292 2.534 20 0 DFADHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)cc2n[nH]cc21 ZINC000337463264 427918735 /nfs/dbraw/zinc/91/87/35/427918735.db2.gz NKGSARVIWTWQKB-UHFFFAOYSA-N -1 3 310.292 2.534 20 0 DFADHM C[C@H]1CCC[C@@](NCc2nc3ccccc3n2C)(C(=O)[O-])C1 ZINC000340682985 427926795 /nfs/dbraw/zinc/92/67/95/427926795.db2.gz RNFMUCZPPDAKHX-SJCJKPOMSA-N -1 3 301.390 2.696 20 0 DFADHM CCO[C@@H]1C[C@](NCc2ccc(F)c(F)c2)(C(=O)[O-])C1(C)C ZINC000340677622 427923993 /nfs/dbraw/zinc/92/39/93/427923993.db2.gz JYUXGOYXKMURIW-CJNGLKHVSA-N -1 3 313.344 2.713 20 0 DFADHM O=S(=O)([N-][C@@H](c1cccnc1)C1CC1)c1cc(F)cc(F)c1 ZINC000340092481 427924821 /nfs/dbraw/zinc/92/48/21/427924821.db2.gz XMGBUCOKQCVEHZ-OAHLLOKOSA-N -1 3 324.352 2.789 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(F)cc2nn[n-]c21 ZINC000337564572 427959640 /nfs/dbraw/zinc/95/96/40/427959640.db2.gz PFOJYSYERIOLKZ-WCQYABFASA-N -1 3 314.295 2.522 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(F)cc2[n-]nnc21 ZINC000337564572 427959643 /nfs/dbraw/zinc/95/96/43/427959643.db2.gz PFOJYSYERIOLKZ-WCQYABFASA-N -1 3 314.295 2.522 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(F)cc2n[n-]nc21 ZINC000337564572 427959647 /nfs/dbraw/zinc/95/96/47/427959647.db2.gz PFOJYSYERIOLKZ-WCQYABFASA-N -1 3 314.295 2.522 20 0 DFADHM [O-]c1cncc(C=Cc2nc(-c3n[nH]c4ccccc43)no2)c1 ZINC000350643790 427960265 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O=C(NC[C@H]1CCn2ccnc2C1)c1cc([O-])c2ccccc2c1 ZINC000376727694 427989096 /nfs/dbraw/zinc/98/90/96/427989096.db2.gz FVDULOYPTIPBID-ZDUSSCGKSA-N -1 3 321.380 2.734 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N1Cc2ccccc2CO1 ZINC000376768138 427996333 /nfs/dbraw/zinc/99/63/33/427996333.db2.gz WTJQQUHEIAIJMH-UHFFFAOYSA-N -1 3 302.305 2.688 20 0 DFADHM Cc1ccc(-c2ccc(C[N-]c3nnc(CO)o3)s2)cc1 ZINC000340690570 427927939 /nfs/dbraw/zinc/92/79/39/427927939.db2.gz VQSXTHJLVDOBOP-UHFFFAOYSA-N -1 3 301.371 3.211 20 0 DFADHM O=C([O-])C1(NCc2ccc(Oc3ccccc3)o2)CCOCC1 ZINC000340685467 427928013 /nfs/dbraw/zinc/92/80/13/427928013.db2.gz ZPHCTJFLVJKLAF-UHFFFAOYSA-N -1 3 317.341 2.795 20 0 DFADHM COC[C@](C)(NCc1ccc(OCCC(C)C)cc1)C(=O)[O-] ZINC000340683761 427929641 /nfs/dbraw/zinc/92/96/41/427929641.db2.gz QLUNZWONQOSQIF-KRWDZBQOSA-N -1 3 309.406 2.691 20 0 DFADHM CCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@H]1CCCC[C@H]1C ZINC000340130465 427933679 /nfs/dbraw/zinc/93/36/79/427933679.db2.gz FIXCSJMBGVEVBC-ABAIWWIYSA-N -1 3 305.422 2.769 20 0 DFADHM COc1ccc([C@@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000337503456 427933764 /nfs/dbraw/zinc/93/37/64/427933764.db2.gz NAJBNPKYMOABSM-SECBINFHSA-N -1 3 314.320 2.597 20 0 DFADHM COc1ccc([C@@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000337503456 427933769 /nfs/dbraw/zinc/93/37/69/427933769.db2.gz NAJBNPKYMOABSM-SECBINFHSA-N -1 3 314.320 2.597 20 0 DFADHM COc1ccc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000337503456 427933774 /nfs/dbraw/zinc/93/37/74/427933774.db2.gz NAJBNPKYMOABSM-SECBINFHSA-N -1 3 314.320 2.597 20 0 DFADHM CN(Cc1cccn1C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345867924 427935317 /nfs/dbraw/zinc/93/53/17/427935317.db2.gz DSBAPTGWAWWXNF-UHFFFAOYSA-N -1 3 304.365 2.851 20 0 DFADHM O=C(NCCc1ccc(Cl)s1)c1cc(F)cc2nn[n-]c21 ZINC000337504975 427937277 /nfs/dbraw/zinc/93/72/77/427937277.db2.gz YMYWOWMCDBHSQE-UHFFFAOYSA-N -1 3 324.768 2.784 20 0 DFADHM O=C(NCCc1ccc(Cl)s1)c1cc(F)cc2[n-]nnc21 ZINC000337504975 427937280 /nfs/dbraw/zinc/93/72/80/427937280.db2.gz 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/nfs/dbraw/zinc/94/11/62/427941162.db2.gz FZEOFQDILNAAJJ-UHFFFAOYSA-N -1 3 308.301 2.930 20 0 DFADHM CCc1ccc([O-])c(-c2nc([C@@H]3CN(C4CC4)CCO3)no2)c1 ZINC000350566987 427945639 /nfs/dbraw/zinc/94/56/39/427945639.db2.gz KWMDUWZGPJEFGN-HNNXBMFYSA-N -1 3 315.373 2.540 20 0 DFADHM CC1(C)Cc2ccc(-c3nc(Cc4ccncn4)no3)c([O-])c2O1 ZINC000350565181 427945840 /nfs/dbraw/zinc/94/58/40/427945840.db2.gz HOBHFJIWJDECQQ-UHFFFAOYSA-N -1 3 324.340 2.537 20 0 DFADHM [O-]c1ccccc1-c1nc(-c2cnc(OCC(F)F)cn2)no1 ZINC000350572220 427947002 /nfs/dbraw/zinc/94/70/02/427947002.db2.gz FGEXUWDSOCNMPK-UHFFFAOYSA-N -1 3 320.255 2.543 20 0 DFADHM COc1cc(-c2noc(-c3cn4ccccc4n3)n2)ccc1[O-] ZINC000350577267 427947062 /nfs/dbraw/zinc/94/70/62/427947062.db2.gz LGYWVKZNUOYXFH-UHFFFAOYSA-N -1 3 308.297 2.766 20 0 DFADHM CCc1cc(-c2nc(-c3ccc([O-])c(OC)c3)no2)cc(=O)[nH]1 ZINC000350577195 427947218 /nfs/dbraw/zinc/94/72/18/427947218.db2.gz KVUADXRQLFTTET-UHFFFAOYSA-N -1 3 313.313 2.781 20 0 DFADHM CCOC(=O)C(C)(C)Cc1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000350571528 427948447 /nfs/dbraw/zinc/94/84/47/427948447.db2.gz YBFAXOQYRJMDCZ-UHFFFAOYSA-N -1 3 320.345 2.583 20 0 DFADHM COc1cc(F)c(NC(=O)c2cc(F)cc3nn[n-]c32)cc1F ZINC000337538340 427949433 /nfs/dbraw/zinc/94/94/33/427949433.db2.gz XJDXOVSBLVGVAA-UHFFFAOYSA-N -1 3 322.246 2.636 20 0 DFADHM COc1cc(F)c(NC(=O)c2cc(F)cc3[n-]nnc32)cc1F ZINC000337538340 427949437 /nfs/dbraw/zinc/94/94/37/427949437.db2.gz XJDXOVSBLVGVAA-UHFFFAOYSA-N -1 3 322.246 2.636 20 0 DFADHM COc1cc(F)c(NC(=O)c2cc(F)cc3n[n-]nc32)cc1F ZINC000337538340 427949439 /nfs/dbraw/zinc/94/94/39/427949439.db2.gz XJDXOVSBLVGVAA-UHFFFAOYSA-N -1 3 322.246 2.636 20 0 DFADHM NC(=O)c1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)co1 ZINC000350583560 427950027 /nfs/dbraw/zinc/95/00/27/427950027.db2.gz OGTKVNPXSZDQGR-UHFFFAOYSA-N -1 3 321.292 2.954 20 0 DFADHM Cc1cc(F)ccc1CCNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337540177 427950452 /nfs/dbraw/zinc/95/04/52/427950452.db2.gz YMVAXOTZBGXQPE-UHFFFAOYSA-N -1 3 316.311 2.517 20 0 DFADHM Cc1cc(F)ccc1CCNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337540177 427950459 /nfs/dbraw/zinc/95/04/59/427950459.db2.gz YMVAXOTZBGXQPE-UHFFFAOYSA-N -1 3 316.311 2.517 20 0 DFADHM Cc1cc(F)ccc1CCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337540177 427950465 /nfs/dbraw/zinc/95/04/65/427950465.db2.gz YMVAXOTZBGXQPE-UHFFFAOYSA-N -1 3 316.311 2.517 20 0 DFADHM Cc1cncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000340925985 427954231 /nfs/dbraw/zinc/95/42/31/427954231.db2.gz JAHBNYMKQBXKAK-UHFFFAOYSA-N -1 3 314.769 2.661 20 0 DFADHM O=S(=O)([N-][C@H]1CC12CCCCC2)c1ccc(F)c(F)c1 ZINC000356127018 428031787 /nfs/dbraw/zinc/03/17/87/428031787.db2.gz BSEJSSDNSZOMSY-ZDUSSCGKSA-N -1 3 301.358 2.966 20 0 DFADHM O=S(=O)([N-][C@@H]1CC12CCCCC2)c1ccc(F)cc1F ZINC000356130426 428034777 /nfs/dbraw/zinc/03/47/77/428034777.db2.gz KZCHSLULEPQKPD-CYBMUJFWSA-N -1 3 301.358 2.966 20 0 DFADHM CCOC(=O)c1cc(C(=O)[N-]c2cccc3ncccc23)on1 ZINC000346147706 428037583 /nfs/dbraw/zinc/03/75/83/428037583.db2.gz 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428474686 /nfs/dbraw/zinc/47/46/86/428474686.db2.gz HXQFHMXZDGINIQ-CYBMUJFWSA-N -1 3 315.369 2.823 20 0 DFADHM COc1ccccc1[C@@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000373463392 428584273 /nfs/dbraw/zinc/58/42/73/428584273.db2.gz ZMLLZRABRQIUNK-LBPRGKRZSA-N -1 3 304.371 2.835 20 0 DFADHM CC(C)Cc1ccc([C@H](NCc2nc(=O)n(C)[n-]2)C(C)C)cc1 ZINC000353479863 428557435 /nfs/dbraw/zinc/55/74/35/428557435.db2.gz OWAICXCJWHSEPO-QGZVFWFLSA-N -1 3 316.449 2.794 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2CN(C)C(=O)c3ccccc32)c([O-])c1 ZINC000373380027 428562880 /nfs/dbraw/zinc/56/28/80/428562880.db2.gz YQVOPKMKWUZEOV-AWEZNQCLSA-N -1 3 310.353 2.509 20 0 DFADHM Cc1ncc(CNC(=O)NCc2cccc3ccccc32)c(=O)[n-]1 ZINC000343736366 428567940 /nfs/dbraw/zinc/56/79/40/428567940.db2.gz YIZOLILYRCJQHP-UHFFFAOYSA-N -1 3 322.368 2.643 20 0 DFADHM [O-]c1ccc(F)c(CN2CCN(c3ccc(F)cn3)CC2)c1F ZINC000353521186 428574578 /nfs/dbraw/zinc/57/45/78/428574578.db2.gz PLXKOEJFIPJCAY-UHFFFAOYSA-N -1 3 323.318 2.527 20 0 DFADHM 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428658446 /nfs/dbraw/zinc/65/84/46/428658446.db2.gz PKAOBOALUJDXGM-SFYZADRCSA-N -1 3 300.152 2.518 20 0 DFADHM COc1ccc([C@H](C)NCc2cnc(C)[n-]c2=O)c(C)c1OC ZINC000353676390 428653217 /nfs/dbraw/zinc/65/32/17/428653217.db2.gz XSBTXWJHONBPEM-NSHDSACASA-N -1 3 317.389 2.667 20 0 DFADHM CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000408414170 428655218 /nfs/dbraw/zinc/65/52/18/428655218.db2.gz JOFULOPTUIZUFG-DOTOQJQBSA-N -1 3 317.429 2.894 20 0 DFADHM CC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)[C@@H]1CC1(C)C ZINC000416086404 428665642 /nfs/dbraw/zinc/66/56/42/428665642.db2.gz VEAWZZKROYAUCG-UONOGXRCSA-N -1 3 305.422 2.673 20 0 DFADHM COc1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1F ZINC000353708540 428669905 /nfs/dbraw/zinc/66/99/05/428669905.db2.gz HTDGCSAWELDNSF-UHFFFAOYSA-N -1 3 323.349 2.613 20 0 DFADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1ccc(Cl)s1 ZINC000362301461 428696326 /nfs/dbraw/zinc/69/63/26/428696326.db2.gz SKDNAPNYETXYJV-UHFFFAOYSA-N -1 3 313.169 3.350 20 0 DFADHM 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Cc1ccncc1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000359281925 428900449 /nfs/dbraw/zinc/90/04/49/428900449.db2.gz IXXWWFQPMBXABR-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CC(Cc3ccc(F)cc3)C2)n1 ZINC000363459663 428919856 /nfs/dbraw/zinc/91/98/56/428919856.db2.gz PRSFGPXHLAGIBM-UHFFFAOYSA-N -1 3 301.365 2.558 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnc(OCC2CC2)cn1 ZINC000354219366 428923510 /nfs/dbraw/zinc/92/35/10/428923510.db2.gz QDLDIFYJVYTHIR-UHFFFAOYSA-N -1 3 319.748 2.877 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1[O-] ZINC000412051495 428926601 /nfs/dbraw/zinc/92/66/01/428926601.db2.gz CHRIZNNRASDCBJ-CHWSQXEVSA-N -1 3 318.417 2.588 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000375670050 428937423 /nfs/dbraw/zinc/93/74/23/428937423.db2.gz YWJHHXIGOPZQGR-KOLCDFICSA-N -1 3 324.427 2.639 20 0 DFADHM CC[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(OC)cc1 ZINC000349218858 428940454 /nfs/dbraw/zinc/94/04/54/428940454.db2.gz PYZOLBOQHSFRIV-CQSZACIVSA-N 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/nfs/dbraw/zinc/02/02/14/429020214.db2.gz FDDSRLYUGZSNOD-GFCCVEGCSA-N -1 3 310.332 2.727 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@@H](c2ccccc2)C1 ZINC000433301000 429020216 /nfs/dbraw/zinc/02/02/16/429020216.db2.gz FDDSRLYUGZSNOD-GFCCVEGCSA-N -1 3 310.332 2.727 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@@H](c2ccccc2)C1 ZINC000433301000 429020217 /nfs/dbraw/zinc/02/02/17/429020217.db2.gz FDDSRLYUGZSNOD-GFCCVEGCSA-N -1 3 310.332 2.727 20 0 DFADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc2[nH]ccc2s1 ZINC000354926105 429020547 /nfs/dbraw/zinc/02/05/47/429020547.db2.gz GJFYRYQDEXTNAX-UHFFFAOYSA-N -1 3 318.305 3.352 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cc1[O-] ZINC000412371940 429025962 /nfs/dbraw/zinc/02/59/62/429025962.db2.gz AEBRZQFAXHRWGU-SUMWQHHRSA-N -1 3 319.401 2.776 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@]12C[C@@H]1CCC2 ZINC000421788748 429031678 /nfs/dbraw/zinc/03/16/78/429031678.db2.gz YLLKFVZKPMRWHX-HZMBPMFUSA-N -1 3 310.191 2.961 20 0 DFADHM Cc1cc(C)cc(CCNC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000433476667 429033570 /nfs/dbraw/zinc/03/35/70/429033570.db2.gz CFGLVFMHXMJZFT-UHFFFAOYSA-N -1 3 312.348 2.686 20 0 DFADHM Cc1cc(C)cc(CCNC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000433476667 429033573 /nfs/dbraw/zinc/03/35/73/429033573.db2.gz CFGLVFMHXMJZFT-UHFFFAOYSA-N -1 3 312.348 2.686 20 0 DFADHM Cc1cc(C)cc(CCNC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000433476667 429033575 /nfs/dbraw/zinc/03/35/75/429033575.db2.gz CFGLVFMHXMJZFT-UHFFFAOYSA-N -1 3 312.348 2.686 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)CC(F)F)[n-]c21 ZINC000412201327 428980972 /nfs/dbraw/zinc/98/09/72/428980972.db2.gz JKKXAQMMBUBZSZ-ZETCQYMHSA-N -1 3 311.288 2.579 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)CC(F)F)nc21 ZINC000412201327 428980977 /nfs/dbraw/zinc/98/09/77/428980977.db2.gz JKKXAQMMBUBZSZ-ZETCQYMHSA-N -1 3 311.288 2.579 20 0 DFADHM Cc1ccc([C@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C2)cc1 ZINC000363744176 428982195 /nfs/dbraw/zinc/98/21/95/428982195.db2.gz DVBRSNDLXLJEEH-HNNXBMFYSA-N -1 3 306.369 2.896 20 0 DFADHM CC(C)OCc1c2ccccc2oc1C(=O)[N-]c1ncn(C)n1 ZINC000349426181 428983952 /nfs/dbraw/zinc/98/39/52/428983952.db2.gz GKDLZNHHKUTPRA-UHFFFAOYSA-N -1 3 314.345 2.739 20 0 DFADHM C[C@@]1(F)CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC000412227684 428990240 /nfs/dbraw/zinc/99/02/40/428990240.db2.gz NJQFGUSAUHLXFJ-OAHLLOKOSA-N -1 3 308.740 2.756 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000375829498 428991022 /nfs/dbraw/zinc/99/10/22/428991022.db2.gz JPNYSHFQZBROJK-KBPBESRZSA-N -1 3 319.401 2.680 20 0 DFADHM COc1cccc(C(=O)N2CCO[C@H](C3CCCCC3)C2)c1[O-] ZINC000375849895 428995430 /nfs/dbraw/zinc/99/54/30/428995430.db2.gz QNKQELKIRJPIEE-INIZCTEOSA-N -1 3 319.401 2.822 20 0 DFADHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000451868853 429002203 /nfs/dbraw/zinc/00/22/03/429002203.db2.gz DZRVFPLCAURCNI-GHMZBOCLSA-N -1 3 324.229 2.839 20 0 DFADHM Cc1cc(C(=O)NC2(Cc3ccccc3)CCCC2)[n-]c(=O)n1 ZINC000349576902 429008059 /nfs/dbraw/zinc/00/80/59/429008059.db2.gz HGQCPUUITPPYLM-UHFFFAOYSA-N -1 3 311.385 2.776 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)[C@H]1CC[C@@H](C)C1)c2=O ZINC000412301655 429008931 /nfs/dbraw/zinc/00/89/31/429008931.db2.gz LMMVPEAWDMBYES-NEPJUHHUSA-N -1 3 314.385 2.797 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@@H](CO)CC2CCCC2)cc1[O-] ZINC000412311203 429010520 /nfs/dbraw/zinc/01/05/20/429010520.db2.gz FOQUNPOHIGCOEE-AWEZNQCLSA-N -1 3 319.401 2.513 20 0 DFADHM CCN(C(=O)c1cc(F)cc2[n-]nnc21)c1ccc(F)cc1 ZINC000433229519 429013145 /nfs/dbraw/zinc/01/31/45/429013145.db2.gz RTZFCYJSPHRARX-UHFFFAOYSA-N -1 3 302.284 2.903 20 0 DFADHM CCN(C(=O)c1cc(F)cc2nn[n-]c21)c1ccc(F)cc1 ZINC000433229519 429013149 /nfs/dbraw/zinc/01/31/49/429013149.db2.gz RTZFCYJSPHRARX-UHFFFAOYSA-N -1 3 302.284 2.903 20 0 DFADHM CCN(C(=O)c1cc(F)cc2n[n-]nc21)c1ccc(F)cc1 ZINC000433229519 429013151 /nfs/dbraw/zinc/01/31/51/429013151.db2.gz RTZFCYJSPHRARX-UHFFFAOYSA-N -1 3 302.284 2.903 20 0 DFADHM O=C(Nc1cccc2c1CN(C1CC1)C2)c1ccc(O)cc1[O-] ZINC000376298996 429091042 /nfs/dbraw/zinc/09/10/42/429091042.db2.gz ABJLKEFNGJNMGF-UHFFFAOYSA-N -1 3 310.353 2.828 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)C3(OC)CCC3)ccc2[n-]1 ZINC000412758958 429095774 /nfs/dbraw/zinc/09/57/74/429095774.db2.gz DSLGDOPVJODIAS-NSHDSACASA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)C3(OC)CCC3)cc2[n-]1 ZINC000412758958 429095775 /nfs/dbraw/zinc/09/57/75/429095775.db2.gz DSLGDOPVJODIAS-NSHDSACASA-N -1 3 317.389 2.649 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)C1CC(C)(C)C1)c2=O ZINC000412414901 429036454 /nfs/dbraw/zinc/03/64/54/429036454.db2.gz GVINQNIHSPVGLB-UHFFFAOYSA-N -1 3 314.385 2.797 20 0 DFADHM COc1ccc([C@H](NCc2cnc(C)[n-]c2=O)C2CC2)c(F)c1 ZINC000421833693 429039218 /nfs/dbraw/zinc/03/92/18/429039218.db2.gz AUKABJIQUFXAKB-MRXNPFEDSA-N -1 3 317.364 2.879 20 0 DFADHM Cc1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)cn2ccnc12 ZINC000355400092 429044360 /nfs/dbraw/zinc/04/43/60/429044360.db2.gz QXTJVXJGFFIBRW-UHFFFAOYSA-N -1 3 307.313 2.878 20 0 DFADHM Cc1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)cn2ccnc12 ZINC000355400092 429044364 /nfs/dbraw/zinc/04/43/64/429044364.db2.gz QXTJVXJGFFIBRW-UHFFFAOYSA-N -1 3 307.313 2.878 20 0 DFADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000452063802 429046229 /nfs/dbraw/zinc/04/62/29/429046229.db2.gz YDANCERUTOIBSM-CHWSQXEVSA-N -1 3 321.801 2.715 20 0 DFADHM COc1cc(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)cc(OC)c1[O-] ZINC000412478501 429049791 /nfs/dbraw/zinc/04/97/91/429049791.db2.gz QHYBDRGBANIKGU-JSGCOSHPSA-N -1 3 319.401 2.966 20 0 DFADHM CO[C@](C)([C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1)C1CC1 ZINC000412583249 429065131 /nfs/dbraw/zinc/06/51/31/429065131.db2.gz GEEPANOWKBXMDK-PIGZYNQJSA-N -1 3 305.374 2.528 20 0 DFADHM C[C@@H](NC(=O)c1c[n-]nn1)c1cccc(OCc2ccccc2)c1 ZINC000434049197 429068200 /nfs/dbraw/zinc/06/82/00/429068200.db2.gz MZNBXOIXRYGUCB-CYBMUJFWSA-N -1 3 322.368 2.875 20 0 DFADHM C[C@@H](NC(=O)c1cnn[n-]1)c1cccc(OCc2ccccc2)c1 ZINC000434049197 429068206 /nfs/dbraw/zinc/06/82/06/429068206.db2.gz MZNBXOIXRYGUCB-CYBMUJFWSA-N -1 3 322.368 2.875 20 0 DFADHM C[C@@H](NC(=O)c1cn[n-]n1)c1cccc(OCc2ccccc2)c1 ZINC000434049197 429068212 /nfs/dbraw/zinc/06/82/12/429068212.db2.gz MZNBXOIXRYGUCB-CYBMUJFWSA-N -1 3 322.368 2.875 20 0 DFADHM O=C(Nc1cc2n(n1)CCCC2)c1cc([O-])c2ccccc2c1 ZINC000376205792 429075049 /nfs/dbraw/zinc/07/50/49/429075049.db2.gz SVPFNULZOCLKOP-UHFFFAOYSA-N -1 3 307.353 3.331 20 0 DFADHM C[C@@H](CC(=O)c1ccco1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000434297140 429081602 /nfs/dbraw/zinc/08/16/02/429081602.db2.gz DRIVGPPCOWLJHA-NSHDSACASA-N -1 3 324.336 2.512 20 0 DFADHM CC(=O)Nc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1F ZINC000434357433 429082391 /nfs/dbraw/zinc/08/23/91/429082391.db2.gz BEPUQFIEXBJJPE-UHFFFAOYSA-N -1 3 320.295 2.559 20 0 DFADHM CC1(F)CC(NC(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000452278619 429088707 /nfs/dbraw/zinc/08/87/07/429088707.db2.gz TVUAQFMINKVWEF-UHFFFAOYSA-N -1 3 316.170 2.704 20 0 DFADHM COc1nn(C)cc1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000487301168 429148178 /nfs/dbraw/zinc/14/81/78/429148178.db2.gz XHJRDBPGZGOHDW-UHFFFAOYSA-N -1 3 310.766 2.877 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccco1 ZINC000435603755 429150875 /nfs/dbraw/zinc/15/08/75/429150875.db2.gz LUFZKTIMTQGQHS-JOYOIKCWSA-N -1 3 315.753 2.907 20 0 DFADHM COC[C@@H](NCc1cnc(C)[n-]c1=O)c1ccc(Cl)cc1 ZINC000494748309 429151501 /nfs/dbraw/zinc/15/15/01/429151501.db2.gz XOWJMUACNHUDTH-CQSZACIVSA-N -1 3 307.781 2.621 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](C)c2csnn2)c([O-])c1 ZINC000412792206 429102799 /nfs/dbraw/zinc/10/27/99/429102799.db2.gz IQVXWKNFEVCSKB-SNVBAGLBSA-N -1 3 321.402 2.914 20 0 DFADHM C[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1csnn1 ZINC000412794137 429102877 /nfs/dbraw/zinc/10/28/77/429102877.db2.gz MZXLRFOGJMNIKU-VIFPVBQESA-N -1 3 303.387 2.614 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c(=O)[n-]1 ZINC000412805213 429104928 /nfs/dbraw/zinc/10/49/28/429104928.db2.gz DDEBOMGVHDJQSK-ZIAGYGMSSA-N -1 3 305.422 2.673 20 0 DFADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)NCCC1CCCCC1 ZINC000424255897 429114377 /nfs/dbraw/zinc/11/43/77/429114377.db2.gz IJLKGPRYELLGRK-INIZCTEOSA-N -1 3 324.465 2.792 20 0 DFADHM CN(Cc1noc(C2CC2)n1)C(=O)Cc1ccc([O-])cc1Cl ZINC000412947583 429114528 /nfs/dbraw/zinc/11/45/28/429114528.db2.gz ACYGNLRNQSAHQM-UHFFFAOYSA-N -1 3 321.764 2.507 20 0 DFADHM COc1cccc(C(=O)Nc2ccc(-c3cnccn3)cn2)c1[O-] ZINC000376448377 429115310 /nfs/dbraw/zinc/11/53/10/429115310.db2.gz NFDUIHVNSUNYJN-UHFFFAOYSA-N -1 3 322.324 2.505 20 0 DFADHM Cn1c2ccccc2nc1CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424262554 429116966 /nfs/dbraw/zinc/11/69/66/429116966.db2.gz QOIAXQVEHUEDOI-CYBMUJFWSA-N -1 3 301.390 2.793 20 0 DFADHM C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])C(C)(F)F ZINC000452462320 429117128 /nfs/dbraw/zinc/11/71/28/429117128.db2.gz WMYPNENEVWIRPX-ZETCQYMHSA-N -1 3 322.149 2.857 20 0 DFADHM CCOC(=O)c1sc2[n-]c([C@H](C)SC)nc(=O)c2c1C ZINC000412986992 429118882 /nfs/dbraw/zinc/11/88/82/429118882.db2.gz AECVFZFCXWKSEU-ZETCQYMHSA-N -1 3 312.416 2.894 20 0 DFADHM CC[C@@H]1CCC[C@@H]1CNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000452521760 429123552 /nfs/dbraw/zinc/12/35/52/429123552.db2.gz TVDOJEGFCYGHIZ-ZIAGYGMSSA-N -1 3 305.422 2.674 20 0 DFADHM O=S(=O)([N-]CCn1cccc1)c1cc(Cl)cc(Cl)c1 ZINC000487124794 429135062 /nfs/dbraw/zinc/13/50/62/429135062.db2.gz STHBZABRIAOPQH-UHFFFAOYSA-N -1 3 319.213 2.773 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000376681133 429158764 /nfs/dbraw/zinc/15/87/64/429158764.db2.gz PSUSEPJHTSSJGQ-SECBINFHSA-N -1 3 324.789 2.796 20 0 DFADHM [O-]c1cccc(CNC[C@@]2(O)CCc3ccccc32)c1Cl ZINC000293378533 275061367 /nfs/dbraw/zinc/06/13/67/275061367.db2.gz VWMVGXXEHKKILT-KRWDZBQOSA-N -1 3 303.789 2.969 20 0 DFADHM Cc1nc(NC(=O)c2nc[n-]n2)sc1Cc1ccccc1F ZINC000435939128 429171617 /nfs/dbraw/zinc/17/16/17/429171617.db2.gz WICBUFFUZDVLOE-UHFFFAOYSA-N -1 3 317.349 2.552 20 0 DFADHM Cc1ccncc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488687995 429189474 /nfs/dbraw/zinc/18/94/74/429189474.db2.gz LXWORVBGBWSTFZ-UHFFFAOYSA-N -1 3 321.174 2.788 20 0 DFADHM Cc1ccc([C@@H]2C[C@@H]2C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000424768437 429189027 /nfs/dbraw/zinc/18/90/27/429189027.db2.gz HUHMMKVWGHKHCY-QWRGUYRKSA-N -1 3 324.306 2.552 20 0 DFADHM Cc1ccc([C@@H]2C[C@@H]2C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000424768437 429189029 /nfs/dbraw/zinc/18/90/29/429189029.db2.gz HUHMMKVWGHKHCY-QWRGUYRKSA-N -1 3 324.306 2.552 20 0 DFADHM Cc1ccc([C@@H]2C[C@@H]2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000424768437 429189033 /nfs/dbraw/zinc/18/90/33/429189033.db2.gz HUHMMKVWGHKHCY-QWRGUYRKSA-N -1 3 324.306 2.552 20 0 DFADHM COc1cccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000364519075 429219428 /nfs/dbraw/zinc/21/94/28/429219428.db2.gz INLYUXBKIPJADF-LLVKDONJSA-N -1 3 323.356 2.618 20 0 DFADHM COc1cccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000364519075 429219432 /nfs/dbraw/zinc/21/94/32/429219432.db2.gz INLYUXBKIPJADF-LLVKDONJSA-N -1 3 323.356 2.618 20 0 DFADHM CC[C@H](C)N(CC(=O)OC)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000456071031 429236512 /nfs/dbraw/zinc/23/65/12/429236512.db2.gz QTIWOIHYVSYUED-LBPRGKRZSA-N -1 3 319.401 2.685 20 0 DFADHM COc1cc(C(=O)N2CCc3ccc(F)c(F)c3C2)ccc1[O-] ZINC000442815885 429237187 /nfs/dbraw/zinc/23/71/87/429237187.db2.gz WWZLYGQYOFQKOD-UHFFFAOYSA-N -1 3 319.307 2.878 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[O-] ZINC000456110561 429242659 /nfs/dbraw/zinc/24/26/59/429242659.db2.gz FEICDUZEACBMHH-UXLLHSPISA-N -1 3 303.402 2.720 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C(F)(F)F)cc1F ZINC000425235281 429249792 /nfs/dbraw/zinc/24/97/92/429249792.db2.gz IITFYOOKYTXIGY-DIYOJNKTSA-N -1 3 323.311 2.921 20 0 DFADHM O=C(c1cccc([O-])c1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000364699313 429251100 /nfs/dbraw/zinc/25/11/00/429251100.db2.gz IWDKFKGCEZMDTJ-XJKSGUPXSA-N -1 3 319.307 2.619 20 0 DFADHM CCCCCOC1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000443463551 429251742 /nfs/dbraw/zinc/25/17/42/429251742.db2.gz TWDGCMPBBLVOHM-UHFFFAOYSA-N -1 3 314.385 2.559 20 0 DFADHM COc1ccc2c(c1)CCN([C@H](C)c1nc(C)cc(=O)[n-]1)CC2 ZINC000364709790 429253630 /nfs/dbraw/zinc/25/36/30/429253630.db2.gz PEMZOZSDYKEAFH-CYBMUJFWSA-N -1 3 313.401 2.661 20 0 DFADHM CCc1ccc(C(=O)N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c([O-])c1 ZINC000456291420 429270330 /nfs/dbraw/zinc/27/03/30/429270330.db2.gz AHTPJNBVBAEHLI-RBSFLKMASA-N -1 3 303.402 2.578 20 0 DFADHM C[C@@H]1CCN(C(=O)[C@H]2CCc3nccn3C2)c2c([O-])cccc21 ZINC000364993692 429272066 /nfs/dbraw/zinc/27/20/66/429272066.db2.gz KSWDUGRRXCWBKZ-OLZOCXBDSA-N -1 3 311.385 2.692 20 0 DFADHM CC[C@@H]1CN(CC)CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000456342802 429280512 /nfs/dbraw/zinc/28/05/12/429280512.db2.gz CLWZVJZTJKOWDG-CYBMUJFWSA-N -1 3 310.825 2.531 20 0 DFADHM CC[C@H]1CN(CC)CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000456342803 429281960 /nfs/dbraw/zinc/28/19/60/429281960.db2.gz CLWZVJZTJKOWDG-ZDUSSCGKSA-N -1 3 310.825 2.531 20 0 DFADHM CO[C@@H]([C@H](C)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CC1 ZINC000456537838 429320713 /nfs/dbraw/zinc/32/07/13/429320713.db2.gz BDYIMISOHBZVJM-BONVTDFDSA-N -1 3 319.401 2.649 20 0 DFADHM CCCO[N-]C(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000497282116 429323883 /nfs/dbraw/zinc/32/38/83/429323883.db2.gz LGPOSTRWSGVZEK-CYBMUJFWSA-N -1 3 314.426 2.872 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCOCC1 ZINC000365512401 429331405 /nfs/dbraw/zinc/33/14/05/429331405.db2.gz ODRQWNOHHIVQFA-SECBINFHSA-N -1 3 314.179 2.910 20 0 DFADHM CSc1ccc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([O-])c1 ZINC000365521610 429332595 /nfs/dbraw/zinc/33/25/95/429332595.db2.gz KIAIWIWWHWVEKM-BPLDGKMQSA-N -1 3 321.442 3.000 20 0 DFADHM CSc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c([O-])c1 ZINC000365533837 429336024 /nfs/dbraw/zinc/33/60/24/429336024.db2.gz MSHXADHGUACASD-AWEZNQCLSA-N -1 3 317.414 2.825 20 0 DFADHM COc1cccc(C2=CCN(C(=O)c3csc(=O)[n-]3)CC2)c1 ZINC000365547501 429337755 /nfs/dbraw/zinc/33/77/55/429337755.db2.gz ORIOKVKHYLPNOV-UHFFFAOYSA-N -1 3 316.382 2.787 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N(Cc1cccnc1)C1CC1 ZINC000507248096 429347904 /nfs/dbraw/zinc/34/79/04/429347904.db2.gz SRAUWNYHBGTURK-UHFFFAOYSA-N -1 3 319.364 2.728 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C(=O)N(C)c3ccccc32)c1 ZINC000365563002 429341366 /nfs/dbraw/zinc/34/13/66/429341366.db2.gz AQNZUVCSZYTOMF-CYBMUJFWSA-N -1 3 324.380 2.960 20 0 DFADHM Cc1cccc(C(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)c1[O-] ZINC000365575190 429344454 /nfs/dbraw/zinc/34/44/54/429344454.db2.gz YQFZHLQOGBYEOL-ZDUSSCGKSA-N -1 3 324.380 2.960 20 0 DFADHM CCSc1cccc(CN[C@H](Cn2cc(C)cn2)C(=O)[O-])c1 ZINC000426721149 429411277 /nfs/dbraw/zinc/41/12/77/429411277.db2.gz RHQBBVVEOVFVCP-OAHLLOKOSA-N -1 3 319.430 2.547 20 0 DFADHM CC[C@H](CNCc1nc2cc(Cl)ccc2n1C)CC(=O)[O-] ZINC000426648778 429407084 /nfs/dbraw/zinc/40/70/84/429407084.db2.gz UPVABEBSFLYZDW-JTQLQIEISA-N -1 3 309.797 2.817 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC12CCOCC2 ZINC000365601056 429349106 /nfs/dbraw/zinc/34/91/06/429349106.db2.gz VHNDHVRQZNDEEM-UHFFFAOYSA-N -1 3 301.386 2.666 20 0 DFADHM Cc1cncc(-c2cc([N-]C(=O)c3conc3C3CC3)no2)c1 ZINC000365675522 429359350 /nfs/dbraw/zinc/35/93/50/429359350.db2.gz MYLKVIOVSWPSLT-UHFFFAOYSA-N -1 3 310.313 3.163 20 0 DFADHM CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000513795642 429361873 /nfs/dbraw/zinc/36/18/73/429361873.db2.gz JJNXFNOESDHNRM-KGLIPLIRSA-N -1 3 313.467 2.957 20 0 DFADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCC[C@@H](C)C1 ZINC000456991716 429375509 /nfs/dbraw/zinc/37/55/09/429375509.db2.gz FWWARJLUZXSGFW-WOPDTQHZSA-N -1 3 314.385 2.515 20 0 DFADHM O=C([N-]c1nnc2ccccn21)N1CC2(CCC2)c2ccccc21 ZINC000515295384 429376752 /nfs/dbraw/zinc/37/67/52/429376752.db2.gz FUDUTFYPJQDQDV-UHFFFAOYSA-N -1 3 319.368 3.203 20 0 DFADHM Cc1ncc(CNC(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)c(=O)[n-]1 ZINC000518988352 429444014 /nfs/dbraw/zinc/44/40/14/429444014.db2.gz WICNMVZJAAOXJN-LAKVINJISA-N -1 3 318.421 2.505 20 0 DFADHM CC(C)[C@H](CC(F)(F)F)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492013406 429450301 /nfs/dbraw/zinc/45/03/01/429450301.db2.gz DDPYJKJLYQFLEE-MVZIDQBPSA-N -1 3 302.296 2.894 20 0 DFADHM CCOc1cc2c(cc1OCC)CN(CC1(C(=O)[O-])CC1)CC2 ZINC000519167059 429450583 /nfs/dbraw/zinc/45/05/83/429450583.db2.gz CNICJWBEBNVTKU-UHFFFAOYSA-N -1 3 319.401 2.707 20 0 DFADHM COc1ccc(NC(=O)/C=C\c2cnc3ccccc3n2)c([O-])c1 ZINC000492015891 429452602 /nfs/dbraw/zinc/45/26/02/429452602.db2.gz FBVZJBHQNMETTP-TWGQIWQCSA-N -1 3 321.336 2.996 20 0 DFADHM C[C@@H](Cc1cccc(O)c1)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000427647077 429462572 /nfs/dbraw/zinc/46/25/72/429462572.db2.gz UGJIWNGOONKMAM-LBPRGKRZSA-N -1 3 322.364 2.595 20 0 DFADHM COc1cc(C(=O)N2CC[C@H](C)C(F)(F)C2)cc(OC)c1[O-] ZINC000427662369 429464015 /nfs/dbraw/zinc/46/40/15/429464015.db2.gz JJGWFHMHYBIDSV-VIFPVBQESA-N -1 3 315.316 2.527 20 0 DFADHM CC(C)OC(=O)[C@H](C)NCc1cc([O-])ccc1Br ZINC000449661816 429471222 /nfs/dbraw/zinc/47/12/22/429471222.db2.gz JNVXKHOKJQFLJG-VIFPVBQESA-N -1 3 316.195 2.584 20 0 DFADHM C[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000519558333 429465643 /nfs/dbraw/zinc/46/56/43/429465643.db2.gz UKJSQVYRUNBWSU-QMMMGPOBSA-N -1 3 313.279 2.951 20 0 DFADHM C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000519558333 429465646 /nfs/dbraw/zinc/46/56/46/429465646.db2.gz UKJSQVYRUNBWSU-QMMMGPOBSA-N -1 3 313.279 2.951 20 0 DFADHM Cc1nnc(N(C)C(=O)c2c[n-]nc2-c2ccc(F)cc2)s1 ZINC000427735043 429467153 /nfs/dbraw/zinc/46/71/53/429467153.db2.gz OZXSRSNOOOANRS-UHFFFAOYSA-N -1 3 317.349 2.652 20 0 DFADHM O=C([O-])[C@H](NCc1ccc(OC(F)F)cc1)c1ccc(O)cc1 ZINC000426789742 429417793 /nfs/dbraw/zinc/41/77/93/429417793.db2.gz XLAXFYPKRRQGEE-CQSZACIVSA-N -1 3 323.295 2.909 20 0 DFADHM CC(C)(C)OC(=O)C[C@@H](NCc1coc2ccccc12)C(=O)[O-] ZINC000426829172 429419369 /nfs/dbraw/zinc/41/93/69/429419369.db2.gz NTUTZJHEKAABEQ-CYBMUJFWSA-N -1 3 319.357 2.707 20 0 DFADHM CCOc1nc2cc(C(=O)NCCc3ccc(C)cn3)ccc2[n-]1 ZINC000457186956 429422227 /nfs/dbraw/zinc/42/22/27/429422227.db2.gz SWNKECISZBKINU-UHFFFAOYSA-N -1 3 324.384 2.638 20 0 DFADHM CCOc1nc2ccc(C(=O)NCCc3ccc(C)cn3)cc2[n-]1 ZINC000457186956 429422230 /nfs/dbraw/zinc/42/22/30/429422230.db2.gz SWNKECISZBKINU-UHFFFAOYSA-N -1 3 324.384 2.638 20 0 DFADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)C[C@@H](C2CC2)O1 ZINC000366226018 429437069 /nfs/dbraw/zinc/43/70/69/429437069.db2.gz UTOABNCGQPKRTA-BMIGLBTASA-N -1 3 309.793 2.614 20 0 DFADHM CC[C@@H](CC(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000449847695 429525366 /nfs/dbraw/zinc/52/53/66/429525366.db2.gz BPBWVWSRLQUBEK-ZDUSSCGKSA-N -1 3 301.394 2.555 20 0 DFADHM CC[C@@H](CC(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000449847695 429525372 /nfs/dbraw/zinc/52/53/72/429525372.db2.gz BPBWVWSRLQUBEK-ZDUSSCGKSA-N -1 3 301.394 2.555 20 0 DFADHM O=C(Nc1cccc2c1OCCC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC000519644929 429476495 /nfs/dbraw/zinc/47/64/95/429476495.db2.gz JPJMERWFEWRHNE-UHFFFAOYSA-N -1 3 311.341 2.637 20 0 DFADHM Cc1sc(Cl)nc1C(=O)[N-]c1n[nH]c(-c2ccncc2)n1 ZINC000366594550 429482294 /nfs/dbraw/zinc/48/22/94/429482294.db2.gz TXWLJQFHBBWCDJ-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM COc1nc(NC(=O)CCCCCc2ccc(F)cc2)n[n-]1 ZINC000428049920 429486993 /nfs/dbraw/zinc/48/69/93/429486993.db2.gz VAMPSFHCEMMBIR-UHFFFAOYSA-N -1 3 306.341 2.694 20 0 DFADHM COc1nnc(NC(=O)CCCCCc2ccc(F)cc2)[n-]1 ZINC000428049920 429486997 /nfs/dbraw/zinc/48/69/97/429486997.db2.gz VAMPSFHCEMMBIR-UHFFFAOYSA-N -1 3 306.341 2.694 20 0 DFADHM COc1n[n-]c(NC(=O)CCCCCc2ccc(F)cc2)n1 ZINC000428049920 429487001 /nfs/dbraw/zinc/48/70/01/429487001.db2.gz VAMPSFHCEMMBIR-UHFFFAOYSA-N -1 3 306.341 2.694 20 0 DFADHM Cc1cnc(S[C@@H]2CCN(Cc3ccccc3)C2)[n-]c1=O ZINC000519781680 429488740 /nfs/dbraw/zinc/48/87/40/429488740.db2.gz UKLFXCWSZHYTPR-CQSZACIVSA-N -1 3 301.415 2.857 20 0 DFADHM Cn1nccc1/C=C\C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492301186 429505751 /nfs/dbraw/zinc/50/57/51/429505751.db2.gz TTXVZCVPOYJEDZ-HYXAFXHYSA-N -1 3 311.263 2.796 20 0 DFADHM [O-]c1cccnc1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000520288432 429508055 /nfs/dbraw/zinc/50/80/55/429508055.db2.gz PXKQKEOUUFTLSY-UHFFFAOYSA-N -1 3 303.793 2.763 20 0 DFADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])nn2c1OCCC2 ZINC000449819038 429518723 /nfs/dbraw/zinc/51/87/23/429518723.db2.gz HAAPEWMZGXDYRQ-UHFFFAOYSA-N -1 3 307.737 2.585 20 0 DFADHM O=C(/C=C/c1cccc(CO)c1)N1CCCc2cccc([O-])c21 ZINC000492356015 429519076 /nfs/dbraw/zinc/51/90/76/429519076.db2.gz CFJGDCVFWQJCBC-MDZDMXLPSA-N -1 3 309.365 2.877 20 0 DFADHM CC(C)OC(C)(C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000449840133 429523870 /nfs/dbraw/zinc/52/38/70/429523870.db2.gz FUFBDEOWIAOBHC-UHFFFAOYSA-N -1 3 306.341 2.753 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCC1(c2ccncc2)CCCC1 ZINC000492478336 429548435 /nfs/dbraw/zinc/54/84/35/429548435.db2.gz XKGYDJUZELXJDF-ONEGZZNKSA-N -1 3 323.396 2.824 20 0 DFADHM O=C(/C=C/c1ccc(C(F)(F)F)cc1)[N-]O[C@@H]1CCOC1 ZINC000492505630 429553675 /nfs/dbraw/zinc/55/36/75/429553675.db2.gz PYVXLAVGJATYHB-MJRJWQSSSA-N -1 3 301.264 2.555 20 0 DFADHM Cc1ccc(CC[C@@H](C)NC(=O)/C=C/c2cncc([O-])c2)o1 ZINC000492518198 429556453 /nfs/dbraw/zinc/55/64/53/429556453.db2.gz GGXOHWSLWJMRBP-FZKGZDJFSA-N -1 3 300.358 2.839 20 0 DFADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)cc1Cl ZINC000521559385 429557064 /nfs/dbraw/zinc/55/70/64/429557064.db2.gz ZHORPQJWXNLRNW-JGVFFNPUSA-N -1 3 324.229 2.936 20 0 DFADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)cc1Cl ZINC000521559387 429557475 /nfs/dbraw/zinc/55/74/75/429557475.db2.gz ZHORPQJWXNLRNW-YUMQZZPRSA-N -1 3 324.229 2.936 20 0 DFADHM Cc1ccc(CNC(=O)Cc2ccc([O-])cc2Cl)nc1C ZINC000458013952 429565085 /nfs/dbraw/zinc/56/50/85/429565085.db2.gz SPUNMERQSYYWRK-UHFFFAOYSA-N -1 3 304.777 2.916 20 0 DFADHM O=C(/C=C\c1ccccc1Br)[N-]OCC(F)F ZINC000492568655 429566850 /nfs/dbraw/zinc/56/68/50/429566850.db2.gz XDNKWBJTIINFLS-WAYWQWQTSA-N -1 3 306.106 2.775 20 0 DFADHM COc1cccc2c1CC[C@H]2NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450116190 429569267 /nfs/dbraw/zinc/56/92/67/429569267.db2.gz XYGOSGPBCJOXFH-OAHLLOKOSA-N -1 3 315.344 2.886 20 0 DFADHM COc1ccc([O-])c(NC(=O)c2coc3c2C(=O)CCC3)c1 ZINC000450115833 429569759 /nfs/dbraw/zinc/56/97/59/429569759.db2.gz PPZLRHSJPSRXPP-UHFFFAOYSA-N -1 3 301.298 2.765 20 0 DFADHM COc1cccc(/C=C/C(=O)[N-]OCC(F)F)c1OC(F)F ZINC000492578613 429570141 /nfs/dbraw/zinc/57/01/41/429570141.db2.gz FERVXPMPVLUNAB-AATRIKPKSA-N -1 3 323.242 2.623 20 0 DFADHM CC[C@H](CCNCc1cc2c(cc1OC)C[C@H](C)O2)C(=O)[O-] ZINC000521986240 429571352 /nfs/dbraw/zinc/57/13/52/429571352.db2.gz SCQDPZJXHCEXCZ-NWDGAFQWSA-N -1 3 307.390 2.609 20 0 DFADHM CC[C@@H](CCNCc1cc2c(cc1OC)C[C@H](C)O2)C(=O)[O-] ZINC000521986241 429571761 /nfs/dbraw/zinc/57/17/61/429571761.db2.gz SCQDPZJXHCEXCZ-RYUDHWBXSA-N -1 3 307.390 2.609 20 0 DFADHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450145047 429574047 /nfs/dbraw/zinc/57/40/47/429574047.db2.gz IDOVFZYONVBBLZ-LSDHHAIUSA-N -1 3 309.381 2.784 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)C[C@@H]3CC[C@H]4C[C@H]43)[n-]c21 ZINC000450188324 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CC[C@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)CC[C@H]1c1ccccc1 ZINC000544847730 430295950 /nfs/dbraw/zinc/29/59/50/430295950.db2.gz XKGVHOQUEVMHGA-GXTWGEPZSA-N -1 3 322.416 2.737 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H]2COCc3ccccc32)c(F)c1 ZINC000582535272 430308526 /nfs/dbraw/zinc/30/85/26/430308526.db2.gz DLOMMJQHSMASCC-HNNXBMFYSA-N -1 3 321.373 2.684 20 0 DFADHM COc1ccccc1CCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000568059567 430310624 /nfs/dbraw/zinc/31/06/24/430310624.db2.gz FKJYDZDKOQRHFV-UHFFFAOYSA-N -1 3 303.358 2.969 20 0 DFADHM Cc1csc([C@@H]2CCCN([C@H](C(=O)[O-])c3cccnc3)C2)n1 ZINC000568061770 430311444 /nfs/dbraw/zinc/31/14/44/430311444.db2.gz QSADWZCWPGJQGD-KGLIPLIRSA-N -1 3 317.414 2.852 20 0 DFADHM COc1ccc(OC)c(CN(CC2(C(=O)[O-])CC2)C2CC2)c1 ZINC000568060310 430311456 /nfs/dbraw/zinc/31/14/56/430311456.db2.gz AQHRHECBAUCNAB-UHFFFAOYSA-N -1 3 305.374 2.533 20 0 DFADHM [O-]c1ccc(Cl)c(Cn2cc([C@@H]3CCCC[C@H]3O)nn2)c1 ZINC000641070797 430319766 /nfs/dbraw/zinc/31/97/66/430319766.db2.gz 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430331035 /nfs/dbraw/zinc/33/10/35/430331035.db2.gz GGDVMQBVXGELRH-OAHLLOKOSA-N -1 3 318.402 2.571 20 0 DFADHM CC(C)(COCc1ccccc1)NC(=O)c1csc(=O)[n-]1 ZINC000546008713 430340366 /nfs/dbraw/zinc/34/03/66/430340366.db2.gz YVQGGZIOGPEBSB-UHFFFAOYSA-N -1 3 306.387 2.574 20 0 DFADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@](C)(O)C(=O)[O-] ZINC000582850676 430341675 /nfs/dbraw/zinc/34/16/75/430341675.db2.gz BPQRAXITLPNTIX-AMIZOPFISA-N -1 3 306.189 2.822 20 0 DFADHM CC(C)(CO)[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000568293129 430345575 /nfs/dbraw/zinc/34/55/75/430345575.db2.gz GOALPPAYIFCYNE-OAHLLOKOSA-N -1 3 311.809 2.501 20 0 DFADHM COc1ccc(-c2nnc([N-][C@H](C)c3nnc(C)s3)o2)cc1 ZINC000641509841 430413500 /nfs/dbraw/zinc/41/35/00/430413500.db2.gz BSULKSGLBGVOKL-MRVPVSSYSA-N -1 3 317.374 3.078 20 0 DFADHM COC1([C@@H](C(=O)[O-])N(C)Cc2cc(Cl)ccc2F)CCC1 ZINC000583636004 430415599 /nfs/dbraw/zinc/41/55/99/430415599.db2.gz DMTGYBXNDXUDRC-CYBMUJFWSA-N -1 3 315.772 2.933 20 0 DFADHM 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Cc1ccc2[nH]c(CNC3(c4nnn[n-]4)CCCC3)cc2c1C ZINC000547449178 430394437 /nfs/dbraw/zinc/39/44/37/430394437.db2.gz LEMDQVKMRNPNML-UHFFFAOYSA-N -1 3 310.405 2.857 20 0 DFADHM C[C@H]1CCN(Cc2cncn2Cc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000583446818 430396284 /nfs/dbraw/zinc/39/62/84/430396284.db2.gz WOZQHXZRDYJDPW-WMLDXEAASA-N -1 3 313.401 2.617 20 0 DFADHM O=S(=O)([N-]C1(Cc2ccccc2)CC1)c1cncc(Cl)c1 ZINC000547474488 430396665 /nfs/dbraw/zinc/39/66/65/430396665.db2.gz XPWFLISLUOIPSI-UHFFFAOYSA-N -1 3 322.817 2.789 20 0 DFADHM CCc1cc(C[N-]S(=O)(=O)CC2(C)CCCCC2)on1 ZINC000547470356 430396888 /nfs/dbraw/zinc/39/68/88/430396888.db2.gz SGKUCBAZIJTMRR-UHFFFAOYSA-N -1 3 300.424 2.627 20 0 DFADHM CC(C)c1nnc([N-][C@@H](CO)c2ccc(C(F)(F)F)cc2)o1 ZINC000583481150 430399125 /nfs/dbraw/zinc/39/91/25/430399125.db2.gz UBONEGYFCAVINH-NSHDSACASA-N -1 3 315.295 3.357 20 0 DFADHM CC(C)(C[N-]S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F)C(F)(F)F ZINC000641478721 430409302 /nfs/dbraw/zinc/40/93/02/430409302.db2.gz 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CCCCc1noc([C@H](C)N2CC[C@@](C(=O)[O-])(C(C)C)C2)n1 ZINC000572490222 430688342 /nfs/dbraw/zinc/68/83/42/430688342.db2.gz XNCRRSJQUQSWNB-LRDDRELGSA-N -1 3 309.410 2.906 20 0 DFADHM Cc1nccc(CCC(=O)N2CC[C@H](C)c3cccc([O-])c32)n1 ZINC000556734820 430690694 /nfs/dbraw/zinc/69/06/94/430690694.db2.gz ZXDYFOWHACYSFH-LBPRGKRZSA-N -1 3 311.385 2.964 20 0 DFADHM COC(C)(C)CN(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000556774912 430692423 /nfs/dbraw/zinc/69/24/23/430692423.db2.gz IZBYZZYAIJMNTK-UHFFFAOYSA-N -1 3 301.390 2.706 20 0 DFADHM [O-]c1ccc(F)c(CN[C@H]2CCN(c3ncccc3F)C2)c1F ZINC000556833778 430694310 /nfs/dbraw/zinc/69/43/10/430694310.db2.gz ALVOPWHONGTASI-JTQLQIEISA-N -1 3 323.318 2.573 20 0 DFADHM CC(C)C[C@@H]1COCCN1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000572848425 430697645 /nfs/dbraw/zinc/69/76/45/430697645.db2.gz KLKWZHVAQCFDBC-IAGOWNOFSA-N -1 3 305.418 2.992 20 0 DFADHM C[C@H]1CCCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000408131585 278330895 /nfs/dbraw/zinc/33/08/95/278330895.db2.gz 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CC[C@@H](C(=O)[O-])N(C)Cc1cccc(Br)c1OC ZINC000648407265 430777123 /nfs/dbraw/zinc/77/71/23/430777123.db2.gz OHVXPMOUDZHHNB-NSHDSACASA-N -1 3 316.195 2.753 20 0 DFADHM O=S(=O)([N-]C1CCSCC1)c1ccc(Cl)c(F)c1 ZINC000651544138 430818462 /nfs/dbraw/zinc/81/84/62/430818462.db2.gz WALHBEHLTZRDKW-UHFFFAOYSA-N -1 3 309.815 2.653 20 0 DFADHM O=C(Cc1cn2c(n1)CCCC2)Nc1ccc([O-])c(Cl)c1 ZINC000651554670 430820293 /nfs/dbraw/zinc/82/02/93/430820293.db2.gz QFKWWKWTYUSANB-UHFFFAOYSA-N -1 3 305.765 2.760 20 0 DFADHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2)CCOCC1 ZINC000651595083 430826257 /nfs/dbraw/zinc/82/62/57/430826257.db2.gz VNRQYRIHQPQPHK-UHFFFAOYSA-N -1 3 321.801 2.574 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(F)c2)o1 ZINC000651632179 430835219 /nfs/dbraw/zinc/83/52/19/430835219.db2.gz GNKDEYGLXDGECK-MRVPVSSYSA-N -1 3 318.757 2.815 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)[C@H]1CCCOC1 ZINC000651633888 430835628 /nfs/dbraw/zinc/83/56/28/430835628.db2.gz GCILNDHGSKAULU-ZJUUUORDSA-N -1 3 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COCc1cnc(CNC[C@H](CC(=O)[O-])CC(C)C)s1 ZINC000665351499 430904588 /nfs/dbraw/zinc/90/45/88/430904588.db2.gz CIVFMEKPPJQDMG-NSHDSACASA-N -1 3 300.424 2.516 20 0 DFADHM Cn1c(CNCC2(C(=O)[O-])CCC2)nc2ccc(Cl)cc21 ZINC000665354376 430906551 /nfs/dbraw/zinc/90/65/51/430906551.db2.gz JMUBHZCJGGQGMJ-UHFFFAOYSA-N -1 3 307.781 2.571 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCc2ncncc2C1 ZINC000648837007 430908456 /nfs/dbraw/zinc/90/84/56/430908456.db2.gz XEOYBJXSTQIVMV-SECBINFHSA-N -1 3 303.749 2.579 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C2CC3(CCC3)C2)c(F)cc1F ZINC000651919317 430914113 /nfs/dbraw/zinc/91/41/13/430914113.db2.gz MMISTFWMRWRKCS-UHFFFAOYSA-N -1 3 301.358 2.884 20 0 DFADHM Cc1cc(F)c(S(=O)(=O)[N-]C2CC3(CCC3)C2)cc1F ZINC000651919432 430914308 /nfs/dbraw/zinc/91/43/08/430914308.db2.gz RYUJHUUZBZKMNB-UHFFFAOYSA-N -1 3 301.358 2.884 20 0 DFADHM COCCOc1ccc(CNCc2cccc([O-])c2Cl)cn1 ZINC000645146298 430914839 /nfs/dbraw/zinc/91/48/39/430914839.db2.gz OYXFKIAITFMILG-UHFFFAOYSA-N -1 3 322.792 2.756 20 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CCOC(=O)CN(C(=O)c1ccc(C)c(C)c1[O-])C1CCCC1 ZINC000436581101 297014967 /nfs/dbraw/zinc/01/49/67/297014967.db2.gz DLURJNZNEOAHDM-UHFFFAOYSA-N -1 3 319.401 2.957 20 0 DFADHM CCOC(=O)C[C@](C)(NC(=O)c1cc(C)ccc1[O-])C(C)C ZINC000436586169 297015385 /nfs/dbraw/zinc/01/53/85/297015385.db2.gz VEWBUGTWLBLJKN-KRWDZBQOSA-N -1 3 307.390 2.798 20 0 DFADHM Cc1cccc(C(=O)N[C@@H]2CCc3cn(C(C)C)nc3C2)c1[O-] ZINC000436594453 297016257 /nfs/dbraw/zinc/01/62/57/297016257.db2.gz FDZPXSBJNSBOTC-CQSZACIVSA-N -1 3 313.401 2.765 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c([O-])c1 ZINC000436592547 297016306 /nfs/dbraw/zinc/01/63/06/297016306.db2.gz WJXBXPLWXRRGJN-CZUORRHYSA-N -1 3 324.380 2.624 20 0 DFADHM COc1cc(OC)c(OC)cc1NC(=O)c1cccc(C)c1[O-] ZINC000436594134 297016325 /nfs/dbraw/zinc/01/63/25/297016325.db2.gz DHLANPIXDDKBSQ-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c([O-])c1C ZINC000436599814 297017298 /nfs/dbraw/zinc/01/72/98/297017298.db2.gz CGPWORGRVUQPTN-AWEZNQCLSA-N -1 3 324.380 2.865 20 0 DFADHM CC[C@@H](CNC(=O)c1c([O-])cccc1O)Oc1cccc(F)c1 ZINC000436650342 297021228 /nfs/dbraw/zinc/02/12/28/297021228.db2.gz ZALKYYLCMCEHRJ-LBPRGKRZSA-N -1 3 319.332 2.824 20 0 DFADHM COc1cc(NC(=O)c2cc(C)ccc2[O-])ccc1NC(C)=O ZINC000436615632 297018204 /nfs/dbraw/zinc/01/82/04/297018204.db2.gz GULKELJKKOFRFS-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM COc1cccc(C(=O)NCC(C)(C)c2ncccc2C)c1[O-] ZINC000436619287 297018656 /nfs/dbraw/zinc/01/86/56/297018656.db2.gz QXJWZAFZDILODK-UHFFFAOYSA-N -1 3 314.385 2.812 20 0 DFADHM CC(=O)c1ccc(C(=O)NCc2cccc(N(C)C)c2)cc1[O-] ZINC000436627891 297019131 /nfs/dbraw/zinc/01/91/31/297019131.db2.gz YWSBWRATMVIKGI-UHFFFAOYSA-N -1 3 312.369 2.591 20 0 DFADHM CC(C)CN1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436627701 297019208 /nfs/dbraw/zinc/01/92/08/297019208.db2.gz UVDCBONPVQKFOT-UHFFFAOYSA-N -1 3 304.434 2.929 20 0 DFADHM CCCCOc1ccc(NC(=O)c2c([O-])cccc2O)cn1 ZINC000436627345 297019241 /nfs/dbraw/zinc/01/92/41/297019241.db2.gz SSAPSXFPOAIUAJ-UHFFFAOYSA-N -1 3 302.330 2.924 20 0 DFADHM CO[C@](C)(CNC(=O)c1cc2c(cc1[O-])CCCC2)C1CC1 ZINC000436642006 297020237 /nfs/dbraw/zinc/02/02/37/297020237.db2.gz YORDZBSZQBDGGO-GOSISDBHSA-N -1 3 303.402 2.816 20 0 DFADHM CCOc1ccccc1[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436647134 297021004 /nfs/dbraw/zinc/02/10/04/297021004.db2.gz KMAWAUUNAIQSDR-LLVKDONJSA-N -1 3 301.342 2.988 20 0 DFADHM O=C(Nc1nc2c(cccc2Cl)[nH]1)c1c([O-])cccc1O ZINC000436649541 297021540 /nfs/dbraw/zinc/02/15/40/297021540.db2.gz VFFNOHKKNCZEIT-UHFFFAOYSA-N -1 3 303.705 2.880 20 0 DFADHM O=C(NCCc1ccc(F)cc1Cl)c1c([O-])cccc1O ZINC000436650474 297021687 /nfs/dbraw/zinc/02/16/87/297021687.db2.gz WDGAORKPAXBGIR-UHFFFAOYSA-N -1 3 309.724 2.863 20 0 DFADHM [O-]c1ccc(-c2noc(-c3ncn(-c4ccccc4)n3)n2)cc1 ZINC000436653659 297022032 /nfs/dbraw/zinc/02/20/32/297022032.db2.gz BYQGAPYBIBMNLR-UHFFFAOYSA-N -1 3 305.297 2.690 20 0 DFADHM C[C@H]1COCC[C@H]1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436656745 297022215 /nfs/dbraw/zinc/02/22/15/297022215.db2.gz GYPNBZFFXVCPKX-AAEUAGOBSA-N -1 3 319.401 2.508 20 0 DFADHM COc1ccc(C(=O)NCCC2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000436707940 297026899 /nfs/dbraw/zinc/02/68/99/297026899.db2.gz ZGDZSAJWEIKSPW-RYUDHWBXSA-N -1 3 307.390 2.724 20 0 DFADHM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1c([O-])cccc1O ZINC000436667277 297023031 /nfs/dbraw/zinc/02/30/31/297023031.db2.gz XBLIBPNMDKCDIO-BBRMVZONSA-N -1 3 313.353 2.748 20 0 DFADHM Cc1cc(O)c(C(C)C)cc1C(=O)NCc1ncccc1[O-] ZINC000436667718 297023305 /nfs/dbraw/zinc/02/33/05/297023305.db2.gz UXOMBAZNXKXUBL-UHFFFAOYSA-N -1 3 300.358 2.855 20 0 DFADHM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1c([O-])cccc1O ZINC000436674593 297023963 /nfs/dbraw/zinc/02/39/63/297023963.db2.gz QRNCFCWIMJIMTB-UHFFFAOYSA-N -1 3 312.325 2.699 20 0 DFADHM Cc1ccc(C(=O)NCc2cccc(Cn3cccn3)c2)c([O-])c1 ZINC000436679342 297024453 /nfs/dbraw/zinc/02/44/53/297024453.db2.gz FQFNHUIACWAIEX-UHFFFAOYSA-N -1 3 321.380 2.875 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCCOC3CCCC3)c([O-])c2O1 ZINC000436681238 297024562 /nfs/dbraw/zinc/02/45/62/297024562.db2.gz MLFWQAHHBXOFPI-UHFFFAOYSA-N -1 3 319.401 2.795 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)c1[O-] ZINC000436696017 297025841 /nfs/dbraw/zinc/02/58/41/297025841.db2.gz HHXFOIYGNBPKGR-ZIAGYGMSSA-N -1 3 307.390 2.723 20 0 DFADHM COC(=O)CCCCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436749434 297031211 /nfs/dbraw/zinc/03/12/11/297031211.db2.gz AXIOZCZNAWZQGY-UHFFFAOYSA-N -1 3 319.401 2.734 20 0 DFADHM COC(=O)c1cccc(NC(=O)c2cc(C)cc(OC)c2[O-])c1 ZINC000436755962 297031632 /nfs/dbraw/zinc/03/16/32/297031632.db2.gz PDPVWJSFQQSJCG-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM COc1ccccc1O[C@H](C)CNC(=O)c1cc(C)ccc1[O-] ZINC000436719148 297027801 /nfs/dbraw/zinc/02/78/01/297027801.db2.gz NSKZTXLJMYCXEM-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM Cc1ccc(C(=O)NCc2ccnc(OC(F)F)c2)c([O-])c1C ZINC000436718152 297027999 /nfs/dbraw/zinc/02/79/99/297027999.db2.gz DVGCIKCOZQTROK-UHFFFAOYSA-N -1 3 322.311 2.935 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)c2cc(OC)ccc2[O-])C12CCCC2 ZINC000436719656 297028039 /nfs/dbraw/zinc/02/80/39/297028039.db2.gz PHJMMMSWSGVDOH-JKSUJKDBSA-N -1 3 319.401 2.868 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)c1[O-] ZINC000436720157 297028317 /nfs/dbraw/zinc/02/83/17/297028317.db2.gz DRJJXSJFVUDCJW-CQSZACIVSA-N -1 3 313.353 2.881 20 0 DFADHM Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c([O-])c1 ZINC000436723329 297028325 /nfs/dbraw/zinc/02/83/25/297028325.db2.gz NHQQBGKFGTVJES-MRXNPFEDSA-N -1 3 316.376 2.872 20 0 DFADHM CC[C@H](O)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436720524 297028346 /nfs/dbraw/zinc/02/83/46/297028346.db2.gz FMUMLEMWNXXUJI-LBPRGKRZSA-N -1 3 301.342 2.685 20 0 DFADHM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436723723 297028487 /nfs/dbraw/zinc/02/84/87/297028487.db2.gz QSJRCSHZHULDDR-QFYYESIMSA-N -1 3 319.332 2.743 20 0 DFADHM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436725865 297028823 /nfs/dbraw/zinc/02/88/23/297028823.db2.gz VNYCZWYZWMGHES-HWPZZCPQSA-N -1 3 319.332 2.743 20 0 DFADHM COc1cccc(C(=O)NCc2cccc(-n3ccnc3)c2)c1[O-] ZINC000436727767 297028841 /nfs/dbraw/zinc/02/88/41/297028841.db2.gz CFFMGDJJPWJKJQ-UHFFFAOYSA-N -1 3 323.352 2.517 20 0 DFADHM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436728671 297028868 /nfs/dbraw/zinc/02/88/68/297028868.db2.gz NHPCDWITIIZWFW-KZULUSFZSA-N -1 3 303.402 2.552 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@]2(C1)CCCOC2 ZINC000436731214 297029503 /nfs/dbraw/zinc/02/95/03/297029503.db2.gz BEJAVFTVDFJOAM-LJQANCHMSA-N -1 3 315.413 2.914 20 0 DFADHM Cc1ccc(C(=O)Nc2nncn2-c2ccccc2)c([O-])c1C ZINC000436733532 297029642 /nfs/dbraw/zinc/02/96/42/297029642.db2.gz WQJBOGCDRDMJHT-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000436738192 297030148 /nfs/dbraw/zinc/03/01/48/297030148.db2.gz KXGPYXGINJVEAF-CQSZACIVSA-N -1 3 305.761 2.899 20 0 DFADHM CN(C)C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC000436735726 297030154 /nfs/dbraw/zinc/03/01/54/297030154.db2.gz MYOWGMXSIAPODE-INIZCTEOSA-N -1 3 320.339 2.703 20 0 DFADHM CCc1ccc(C(=O)N[C@H](C)c2ccnc(OC)c2)c([O-])c1 ZINC000436741273 297030495 /nfs/dbraw/zinc/03/04/95/297030495.db2.gz RXDHSRCBIOGSSD-LLVKDONJSA-N -1 3 300.358 2.849 20 0 DFADHM Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c([O-])c1 ZINC000436761379 297032339 /nfs/dbraw/zinc/03/23/39/297032339.db2.gz YXMRYORDFJDLIG-HNNXBMFYSA-N -1 3 310.397 2.957 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2ccc3c(c2)OCCO3)c1[O-] ZINC000436758060 297032355 /nfs/dbraw/zinc/03/23/55/297032355.db2.gz XIQKYUXWCCZETD-UHFFFAOYSA-N -1 3 315.325 2.733 20 0 DFADHM Cc1ccc(C(=O)NCCOc2cccc(F)c2)c([O-])c1C ZINC000436767542 297032808 /nfs/dbraw/zinc/03/28/08/297032808.db2.gz BWWWIUKUHMPSAK-UHFFFAOYSA-N -1 3 303.333 2.957 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccncc2)c1 ZINC000436788195 297034546 /nfs/dbraw/zinc/03/45/46/297034546.db2.gz VCPXHJWOMILLCG-LLVKDONJSA-N -1 3 313.357 2.579 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000436793903 297034785 /nfs/dbraw/zinc/03/47/85/297034785.db2.gz TUAHABCELFYOFI-NSHDSACASA-N -1 3 307.390 2.976 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(-n3cccn3)nc2)c([O-])c1 ZINC000436798860 297035351 /nfs/dbraw/zinc/03/53/51/297035351.db2.gz WEVLBZJJFLRYPI-UHFFFAOYSA-N -1 3 308.341 2.788 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc(N3CCC3=O)c2)c([O-])c1C ZINC000436803996 297035868 /nfs/dbraw/zinc/03/58/68/297035868.db2.gz AELBIXXMNGLHDM-UHFFFAOYSA-N -1 3 310.353 2.998 20 0 DFADHM CCc1ccc(C(=O)NCC[C@H](OC)C(F)(F)F)c([O-])c1 ZINC000436815562 297036731 /nfs/dbraw/zinc/03/67/31/297036731.db2.gz LLVPWZLTEBJEFH-LBPRGKRZSA-N -1 3 305.296 2.652 20 0 DFADHM O=C(N[C@H](CCO)c1ccco1)c1cc2c(cc1[O-])CCCC2 ZINC000436822228 297036927 /nfs/dbraw/zinc/03/69/27/297036927.db2.gz NXYOCJXCPHHBDL-OAHLLOKOSA-N -1 3 315.369 2.718 20 0 DFADHM COCCCOc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000436825420 297037621 /nfs/dbraw/zinc/03/76/21/297037621.db2.gz GPJTYRWVTKFWHM-UHFFFAOYSA-N -1 3 315.369 2.738 20 0 DFADHM CCc1ccc(C(=O)N[C@H](C(=O)OC)c2ccccc2)c([O-])c1 ZINC000436826383 297037709 /nfs/dbraw/zinc/03/77/09/297037709.db2.gz OSCCHGSAWSRYRD-INIZCTEOSA-N -1 3 313.353 2.599 20 0 DFADHM CC(C)Oc1ccccc1CNC(=O)c1ccc(O)cc1[O-] ZINC000436828458 297038174 /nfs/dbraw/zinc/03/81/74/297038174.db2.gz YIFBDALTPILWCM-UHFFFAOYSA-N -1 3 301.342 2.815 20 0 DFADHM CCOC(=O)[C@@H](CC)N(C(=O)c1ccc(CC)cc1[O-])C1CC1 ZINC000436830064 297038222 /nfs/dbraw/zinc/03/82/22/297038222.db2.gz CITHRINEWXRCJI-OAHLLOKOSA-N -1 3 319.401 2.901 20 0 DFADHM COc1ccncc1CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436834726 297038586 /nfs/dbraw/zinc/03/85/86/297038586.db2.gz ACZLLNOHSASSGH-UHFFFAOYSA-N -1 3 312.369 2.605 20 0 DFADHM COCC[C@H](Cc1ccco1)NC(=O)c1ccc(C)cc1[O-] ZINC000436837115 297038816 /nfs/dbraw/zinc/03/88/16/297038816.db2.gz NROUJLFJGJTEOB-CYBMUJFWSA-N -1 3 303.358 2.671 20 0 DFADHM CCc1ccc(C(=O)N[C@H](CO)Cc2ccccc2C)c([O-])c1 ZINC000436849500 297039543 /nfs/dbraw/zinc/03/95/43/297039543.db2.gz STVHRRZWKVUCLY-INIZCTEOSA-N -1 3 313.397 2.596 20 0 DFADHM CCn1c2ccc(F)cc2nc1NC(=O)c1c([O-])cccc1O ZINC000436846035 297039620 /nfs/dbraw/zinc/03/96/20/297039620.db2.gz VQZHAZBZPGPDHI-UHFFFAOYSA-N -1 3 315.304 2.859 20 0 DFADHM C[C@@H]1CCCC[C@@H]1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436851475 297039925 /nfs/dbraw/zinc/03/99/25/297039925.db2.gz LMIWSOONSAVWHG-HZPDHXFCSA-N -1 3 316.445 2.976 20 0 DFADHM COc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c(OC)c1 ZINC000436852599 297040277 /nfs/dbraw/zinc/04/02/77/297040277.db2.gz PAJFFBRPHZVVPI-UHFFFAOYSA-N -1 3 315.325 2.864 20 0 DFADHM COC(=O)[C@H](NC(=O)c1ccccc1[O-])c1ccc(C)c(C)c1 ZINC000436859459 297040318 /nfs/dbraw/zinc/04/03/18/297040318.db2.gz LDUFSTBOYZRQOK-MRXNPFEDSA-N -1 3 313.353 2.653 20 0 DFADHM COC(=O)[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])[C@@H]1C ZINC000436864481 297041050 /nfs/dbraw/zinc/04/10/50/297041050.db2.gz ZHFMAZJWNBAYGH-YPMHNXCESA-N -1 3 305.374 2.539 20 0 DFADHM COc1cccc(C(=O)Nc2ccc3[nH]c(C)cc(=O)c3c2)c1[O-] ZINC000436873457 297041312 /nfs/dbraw/zinc/04/13/12/297041312.db2.gz ZSKAVIIMZNFSAA-UHFFFAOYSA-N -1 3 324.336 2.803 20 0 DFADHM CCc1ccc(-c2nc(-c3cnc(N(C)C)cn3)no2)c([O-])c1 ZINC000436879288 297041465 /nfs/dbraw/zinc/04/14/65/297041465.db2.gz FXWRKVNHTXURRL-UHFFFAOYSA-N -1 3 311.345 2.528 20 0 DFADHM COc1cccc(C(=O)N(C)Cc2ccc(F)cc2F)c1[O-] ZINC000436881548 297041787 /nfs/dbraw/zinc/04/17/87/297041787.db2.gz XEVILVMNUWWLLH-UHFFFAOYSA-N -1 3 307.296 2.951 20 0 DFADHM CCC(O)(CC)CCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436884063 297041948 /nfs/dbraw/zinc/04/19/48/297041948.db2.gz BFJMOAXROBPDLH-UHFFFAOYSA-N -1 3 321.417 2.777 20 0 DFADHM COCC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(C)o1 ZINC000436892351 297042357 /nfs/dbraw/zinc/04/23/57/297042357.db2.gz JSGUNJVLHLKLOD-CYBMUJFWSA-N -1 3 305.330 2.507 20 0 DFADHM CCCN(CCN(C)C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436897995 297043028 /nfs/dbraw/zinc/04/30/28/297043028.db2.gz VTNZHGIRNOGAOT-UHFFFAOYSA-N -1 3 302.777 2.599 20 0 DFADHM CCOC(=O)C[C@@H](C)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436826541 297037558 /nfs/dbraw/zinc/03/75/58/297037558.db2.gz KTTBPEWPIKSLHV-GFCCVEGCSA-N -1 3 319.401 2.685 20 0 DFADHM CCCNc1ccc(CNC(=O)c2c([O-])cccc2O)cc1 ZINC000436909546 297044102 /nfs/dbraw/zinc/04/41/02/297044102.db2.gz APIZLEIKWMIFKJ-UHFFFAOYSA-N -1 3 300.358 2.850 20 0 DFADHM CCOC(=O)C1(CNC(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436921067 297045000 /nfs/dbraw/zinc/04/50/00/297045000.db2.gz ROMOQDHCFFCZDV-UHFFFAOYSA-N -1 3 305.374 2.589 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)ccc1[O-] ZINC000436926662 297045309 /nfs/dbraw/zinc/04/53/09/297045309.db2.gz ODBFLHWOPUSIPD-LLVKDONJSA-N -1 3 310.353 2.686 20 0 DFADHM Cc1cc(C(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)ccc1[O-] ZINC000436933366 297045880 /nfs/dbraw/zinc/04/58/80/297045880.db2.gz BUCCICPXNGMXNN-ZFWWWQNUSA-N -1 3 318.417 2.514 20 0 DFADHM O=C(NCCc1cn[nH]c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436933602 297045960 /nfs/dbraw/zinc/04/59/60/297045960.db2.gz COWXCAPLVAKYDV-UHFFFAOYSA-N -1 3 323.352 2.880 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2COc3ccc(Cl)cc32)c1[O-] ZINC000436939171 297046416 /nfs/dbraw/zinc/04/64/16/297046416.db2.gz MWWIIUVAEVNJCW-GFCCVEGCSA-N -1 3 319.744 2.918 20 0 DFADHM COc1cccc(COCCNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436936659 297046455 /nfs/dbraw/zinc/04/64/55/297046455.db2.gz GLZZNMNAPWOOEB-UHFFFAOYSA-N -1 3 315.369 2.656 20 0 DFADHM [O-]c1ccccc1-c1nc(-c2cccc(-n3cccn3)n2)no1 ZINC000436939213 297046458 /nfs/dbraw/zinc/04/64/58/297046458.db2.gz NDTMPSKEWDHJEH-UHFFFAOYSA-N -1 3 305.297 2.690 20 0 DFADHM CC(C)(C)OC1CC(CCNC(=O)c2c([O-])cccc2O)C1 ZINC000436954938 297047815 /nfs/dbraw/zinc/04/78/15/297047815.db2.gz JAODSNGPNHKKKP-UHFFFAOYSA-N -1 3 307.390 2.811 20 0 DFADHM COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436963505 297048159 /nfs/dbraw/zinc/04/81/59/297048159.db2.gz PUSBLQSXFYATGM-WFASDCNBSA-N -1 3 319.401 2.929 20 0 DFADHM Cc1ccccc1-c1nc(CNC(=O)c2ccc([O-])c(C)c2)no1 ZINC000436975099 297049242 /nfs/dbraw/zinc/04/92/42/297049242.db2.gz GQJBPQMBYRQCNG-UHFFFAOYSA-N -1 3 323.352 2.989 20 0 DFADHM C[C@@H]1N(C(=O)c2ccc3c(c2[O-])CCCC3)CCOC1(C)C ZINC000436979351 297049251 /nfs/dbraw/zinc/04/92/51/297049251.db2.gz YKJCLWVFPZPFMS-LBPRGKRZSA-N -1 3 303.402 2.911 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H]2CC[C@H](OC)C2)c([O-])c1 ZINC000436982573 297049997 /nfs/dbraw/zinc/04/99/97/297049997.db2.gz VCWXSPFCMWRLHW-OLZOCXBDSA-N -1 3 307.390 2.868 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H](O)[C@H](C)CC)c([O-])c1 ZINC000436984493 297050128 /nfs/dbraw/zinc/05/01/28/297050128.db2.gz FRMGDMMRTIRLKL-WBMJQRKESA-N -1 3 309.406 2.708 20 0 DFADHM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc2c(c1[O-])CCCC2 ZINC000436984131 297050377 /nfs/dbraw/zinc/05/03/77/297050377.db2.gz DPMBUSYOQOBOLM-ROUUACIJSA-N -1 3 323.392 2.659 20 0 DFADHM O=C(NCC[C@@H]1CCCCO1)c1ccc2c(c1[O-])CCCC2 ZINC000436988309 297050637 /nfs/dbraw/zinc/05/06/37/297050637.db2.gz LKQGIVKPQABWEU-AWEZNQCLSA-N -1 3 303.402 2.960 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H](C)C(=O)OCC)c([O-])c1 ZINC000436991544 297050949 /nfs/dbraw/zinc/05/09/49/297050949.db2.gz YTIJJMCJSVVTET-LBPRGKRZSA-N -1 3 323.389 2.500 20 0 DFADHM CC(=O)c1ccc([O-])c(NC(=O)CC[C@@H]2CCCCN2C)c1 ZINC000436994486 297050983 /nfs/dbraw/zinc/05/09/83/297050983.db2.gz DACFOEDTFCVMFY-AWEZNQCLSA-N -1 3 304.390 2.798 20 0 DFADHM Cc1ccc(C(=O)N[C@H](c2nc[nH]n2)c2ccccc2)c([O-])c1C ZINC000436992194 297051009 /nfs/dbraw/zinc/05/10/09/297051009.db2.gz XYZLIJGEWNIQTR-HNNXBMFYSA-N -1 3 322.368 2.647 20 0 DFADHM Cc1cn2cc([N-]S(=O)(=O)c3cccc(F)c3C)ccc2n1 ZINC000437322831 297059761 /nfs/dbraw/zinc/05/97/61/297059761.db2.gz LGNWOICDKMSQPM-UHFFFAOYSA-N -1 3 319.361 2.891 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(O)cc1[O-] ZINC000437370541 297060759 /nfs/dbraw/zinc/06/07/59/297060759.db2.gz AUPDUGYJHDFUDK-GXFFZTMASA-N -1 3 323.270 2.801 20 0 DFADHM CO[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CC[C@H]1C ZINC000276164172 294573084 /nfs/dbraw/zinc/57/30/84/294573084.db2.gz KLHFOOBAFJPGFD-PXAZEXFGSA-N -1 3 303.402 2.768 20 0 DFADHM COc1cc(C(=O)N2CCCCC[C@H]2C[C@H](C)O)ccc1[O-] ZINC000287225026 294927454 /nfs/dbraw/zinc/92/74/54/294927454.db2.gz IVKKPCYYIOSIHT-JSGCOSHPSA-N -1 3 307.390 2.557 20 0 DFADHM COc1cc2c(c(CN3C[C@H](C(=O)[O-])CC[C@@H]3C)c1)O[C@@H](C)C2 ZINC000263325386 295030664 /nfs/dbraw/zinc/03/06/64/295030664.db2.gz KLGFGOGSZBHVDC-RWMBFGLXSA-N -1 3 319.401 2.704 20 0 DFADHM CCCC1(C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000495293078 299917459 /nfs/dbraw/zinc/91/74/59/299917459.db2.gz YGZKQSSZCPESPS-LLVKDONJSA-N -1 3 300.399 2.528 20 0 DFADHM CCc1cccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1[O-] ZINC000154002343 295290287 /nfs/dbraw/zinc/29/02/87/295290287.db2.gz XTECYBMVDUGDTB-BMFZPTHFSA-N -1 3 301.386 2.642 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)c1[O-] ZINC000155407234 295318246 /nfs/dbraw/zinc/31/82/46/295318246.db2.gz WIQTXKAXDZZJBB-UHFFFAOYSA-N -1 3 312.369 2.716 20 0 DFADHM O=C(Cc1cn2ccsc2n1)N1CCCc2cccc([O-])c21 ZINC000155571920 295320901 /nfs/dbraw/zinc/32/09/01/295320901.db2.gz XRWVHUKGGZUMII-UHFFFAOYSA-N -1 3 313.382 2.623 20 0 DFADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C)s1 ZINC000156019024 295329729 /nfs/dbraw/zinc/32/97/29/295329729.db2.gz RGEOQFRUNKIIQY-UHFFFAOYSA-N -1 3 314.432 2.648 20 0 DFADHM CN(Cc1cccnc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000156140881 295331542 /nfs/dbraw/zinc/33/15/42/295331542.db2.gz JUILMRHGCVGITQ-UHFFFAOYSA-N -1 3 320.352 2.696 20 0 DFADHM CC(C)(C)OC(=O)N(CC(=O)Nc1cc(F)ccc1[O-])C1CC1 ZINC000157248450 295346164 /nfs/dbraw/zinc/34/61/64/295346164.db2.gz BGWUSSYISLCCMT-UHFFFAOYSA-N -1 3 324.352 2.869 20 0 DFADHM O=S(=O)([N-]c1c(F)cccc1CO)c1cccc(Cl)c1 ZINC000158892619 295368906 /nfs/dbraw/zinc/36/89/06/295368906.db2.gz OPYORRNSBRKOLL-UHFFFAOYSA-N -1 3 315.753 2.772 20 0 DFADHM CCCn1c(=O)[n-]nc1SCc1ccc(C(=O)OC)s1 ZINC000159073066 295371743 /nfs/dbraw/zinc/37/17/43/295371743.db2.gz XUKWSTCAZTYQCJ-UHFFFAOYSA-N -1 3 313.404 2.534 20 0 DFADHM C[C@H]1CC([N-]S(=O)(=O)c2ccc(Cl)cc2F)C[C@H](C)O1 ZINC000162931915 295418752 /nfs/dbraw/zinc/41/87/52/295418752.db2.gz CPQVZHJQOJRIEA-IUCAKERBSA-N -1 3 321.801 2.713 20 0 DFADHM CC(C)C[C@H](C)S(=O)(=O)[N-][C@@H]1COc2cccc(F)c21 ZINC000363684480 295434232 /nfs/dbraw/zinc/43/42/32/295434232.db2.gz GVJGOQKCAAPPIJ-CMPLNLGQSA-N -1 3 301.383 2.613 20 0 DFADHM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)[N-]OC2CCCC2)C1 ZINC000495523046 299935153 /nfs/dbraw/zinc/93/51/53/299935153.db2.gz BGHXXDPNFDBLGL-SUMWQHHRSA-N -1 3 324.421 2.624 20 0 DFADHM CCCCN(CCCC)C(=O)c1c[n-]c2ccncc2c1=O ZINC000411408804 295538579 /nfs/dbraw/zinc/53/85/79/295538579.db2.gz QTQWZJTVDCTGQH-UHFFFAOYSA-N -1 3 301.390 2.966 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H](C2CC2)C(F)(F)F)cc1[O-] ZINC000412349427 295614638 /nfs/dbraw/zinc/61/46/38/295614638.db2.gz QHZLVIXLWAMGSA-LBPRGKRZSA-N -1 3 301.264 2.666 20 0 DFADHM CCN(C[C@H](C)OC)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412361063 295615719 /nfs/dbraw/zinc/61/57/19/295615719.db2.gz SLSKDVGVNRBTGW-JTQLQIEISA-N -1 3 322.792 2.679 20 0 DFADHM C[C@H]1C[C@H](NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CS1 ZINC000412589190 295636449 /nfs/dbraw/zinc/63/64/49/295636449.db2.gz FHPXQGVOLFWYHH-ONGXEEELSA-N -1 3 307.415 2.730 20 0 DFADHM C[C@@H]1C[C@@H](CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)[C@@H](C)O1 ZINC000412696579 295647302 /nfs/dbraw/zinc/64/73/02/295647302.db2.gz VYWBJQVPCIZUBK-WZRBSPASSA-N -1 3 319.401 2.649 20 0 DFADHM C[C@@H]1C[C@H](O)CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000412781986 295656065 /nfs/dbraw/zinc/65/60/65/295656065.db2.gz UZJGWRBQSYJNAF-CJNGLKHVSA-N -1 3 313.397 2.707 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@@H](C)[C@H](C)O1 ZINC000438388332 297091403 /nfs/dbraw/zinc/09/14/03/297091403.db2.gz ARNHUVVALGUTII-AGIUHOORSA-N -1 3 303.402 2.909 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)[C@H](C)[C@@H](C)O1 ZINC000438395363 297091511 /nfs/dbraw/zinc/09/15/11/297091511.db2.gz JUCMUSXWBMBCIM-IJLUTSLNSA-N -1 3 319.401 2.744 20 0 DFADHM C[C@H](NC(=O)c1ccc2n[n-]nc2c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438976793 297109745 /nfs/dbraw/zinc/10/97/45/297109745.db2.gz IYHSSUMVOHKZNH-DINDLPBHSA-N -1 3 322.368 2.641 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cncs1 ZINC000439205964 297118829 /nfs/dbraw/zinc/11/88/29/297118829.db2.gz XRCDUXSEQDXGAY-ZETCQYMHSA-N -1 3 320.798 2.975 20 0 DFADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000439507093 297130012 /nfs/dbraw/zinc/13/00/12/297130012.db2.gz FXNUFYIUVJWCMK-KZULUSFZSA-N -1 3 305.418 2.798 20 0 DFADHM CCOCc1ccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)cc1 ZINC000439572625 297132324 /nfs/dbraw/zinc/13/23/24/297132324.db2.gz RBIHVILFPKMDLL-GFCCVEGCSA-N -1 3 303.362 2.959 20 0 DFADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440400907 297151773 /nfs/dbraw/zinc/15/17/73/297151773.db2.gz UUGBNSXDLAHYRV-NSHDSACASA-N -1 3 321.389 2.757 20 0 DFADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)C1(C)C ZINC000440420976 297152432 /nfs/dbraw/zinc/15/24/32/297152432.db2.gz YZTKINDXLHYRKV-NWDGAFQWSA-N -1 3 321.801 2.571 20 0 DFADHM COc1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1[O-] ZINC000442652032 297199059 /nfs/dbraw/zinc/19/90/59/297199059.db2.gz RAHFAACPNSQNKM-ZIAGYGMSSA-N -1 3 301.317 2.826 20 0 DFADHM COc1cc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)ccc1[O-] ZINC000442720456 297202923 /nfs/dbraw/zinc/20/29/23/297202923.db2.gz RNQGXQJGWLWWDM-UHFFFAOYSA-N -1 3 319.401 2.965 20 0 DFADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442745823 297203701 /nfs/dbraw/zinc/20/37/01/297203701.db2.gz KSVBVHRHWLOVRD-RKDXNWHRSA-N -1 3 310.341 2.813 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C1CCCC1 ZINC000442760803 297205135 /nfs/dbraw/zinc/20/51/35/297205135.db2.gz VOXCVMAAKYXDOT-VIFPVBQESA-N -1 3 322.352 2.957 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@@H]1CCCOC1 ZINC000442801580 297206968 /nfs/dbraw/zinc/20/69/68/297206968.db2.gz NDJBRYCQVHZRIS-MRVPVSSYSA-N -1 3 305.252 2.656 20 0 DFADHM COCCC[C@@H](NCc1cnc(C)[n-]c1=O)c1ccc(F)cc1 ZINC000442858974 297208469 /nfs/dbraw/zinc/20/84/69/297208469.db2.gz UJWRNJXGXQTSCF-MRXNPFEDSA-N -1 3 319.380 2.887 20 0 DFADHM O=S(=O)([N-]Cc1cccs1)c1cnccc1C(F)(F)F ZINC000442915677 297211328 /nfs/dbraw/zinc/21/13/28/297211328.db2.gz REXBTNPJVHBODK-UHFFFAOYSA-N -1 3 322.333 2.640 20 0 DFADHM CN(CCCO)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000442998336 297212827 /nfs/dbraw/zinc/21/28/27/297212827.db2.gz JIOSHTBHCYVDJW-UHFFFAOYSA-N -1 3 301.342 2.639 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@H]2CC[C@H](C)c3ccccc32)c1 ZINC000443805267 297226527 /nfs/dbraw/zinc/22/65/27/297226527.db2.gz TYSIPIQBPVPERP-WFASDCNBSA-N -1 3 319.430 2.820 20 0 DFADHM O=C(NCc1cccnn1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000444462153 297237057 /nfs/dbraw/zinc/23/70/57/297237057.db2.gz CYHFDAGBUQRJKX-UHFFFAOYSA-N -1 3 321.336 2.905 20 0 DFADHM COc1cc(C(=O)N2CCC[C@H](C(C)C)C2)cc(OC)c1[O-] ZINC000444519464 297238562 /nfs/dbraw/zinc/23/85/62/297238562.db2.gz HBODBYVZZRPLHU-LBPRGKRZSA-N -1 3 307.390 2.918 20 0 DFADHM C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3[n-]c(=S)oc3c2)CCN1C ZINC000173180474 297258526 /nfs/dbraw/zinc/25/85/26/297258526.db2.gz WPJMFSXKUXALSQ-PWSUYJOCSA-N -1 3 319.430 2.671 20 0 DFADHM CC(C)c1ccc(-c2nc(-c3ccc(=O)n(C)c3)no2)c([O-])c1 ZINC000445606302 297263399 /nfs/dbraw/zinc/26/33/99/297263399.db2.gz ZHZRNZYOKJGBPA-UHFFFAOYSA-N -1 3 311.341 2.931 20 0 DFADHM Cc1ccc(C(=O)Nc2c[nH]nc2-c2nccs2)c([O-])c1 ZINC000446587941 297283321 /nfs/dbraw/zinc/28/33/21/297283321.db2.gz WGQUDQUSGGYERF-UHFFFAOYSA-N -1 3 300.343 2.800 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2c[nH]nc2-c2nccs2)c1 ZINC000446704955 297286599 /nfs/dbraw/zinc/28/65/99/297286599.db2.gz FDJADZQAEWFIEK-UHFFFAOYSA-N -1 3 300.343 2.800 20 0 DFADHM COc1ccc2nc(C(=O)Nc3nc(C)ccc3[O-])ccc2c1 ZINC000447633099 297311979 /nfs/dbraw/zinc/31/19/79/297311979.db2.gz UOANUGDNTVQLMJ-UHFFFAOYSA-N -1 3 309.325 2.905 20 0 DFADHM CCC(CC)(CC(=O)NC[C@H]1N(C)CCCC1(C)C)C(=O)[O-] ZINC000448106988 297332508 /nfs/dbraw/zinc/33/25/08/297332508.db2.gz 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/nfs/dbraw/zinc/35/20/46/301352046.db2.gz SIZNWSVZINSGMZ-HIFRSBDPSA-N -1 3 302.418 2.653 20 0 DFADHM CCc1cccc(C(=O)NCCSCC(F)(F)F)c1[O-] ZINC000539913254 301353598 /nfs/dbraw/zinc/35/35/98/301353598.db2.gz KUFSLRJYHYIPCN-UHFFFAOYSA-N -1 3 307.337 2.980 20 0 DFADHM C[C@@]1(C(=O)Nc2cc(Br)ccc2[O-])CCOC1 ZINC000541722173 301395018 /nfs/dbraw/zinc/39/50/18/301395018.db2.gz PFLQIVGCXMVZQX-GFCCVEGCSA-N -1 3 300.152 2.520 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)NCCCC(C)(C)C)c([O-])c1 ZINC000541725371 301395563 /nfs/dbraw/zinc/39/55/63/301395563.db2.gz CPHCTXZPKFNSAO-UHFFFAOYSA-N -1 3 320.433 2.763 20 0 DFADHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ncccc1[O-] ZINC000543096508 301424537 /nfs/dbraw/zinc/42/45/37/301424537.db2.gz DDLCVNULPGGIFI-UHFFFAOYSA-N -1 3 322.368 2.901 20 0 DFADHM Cc1cccn2cc(Cc3noc(-c4ccccc4[O-])n3)nc12 ZINC000544619432 301454567 /nfs/dbraw/zinc/45/45/67/301454567.db2.gz QGCUQRVXVFVPDK-UHFFFAOYSA-N -1 3 306.325 2.989 20 0 DFADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1cccc(N2CCCC2)c1 ZINC000546015976 301489035 /nfs/dbraw/zinc/48/90/35/301489035.db2.gz OUEADTSGENGCJT-LLVKDONJSA-N -1 3 317.414 2.940 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3C)s1 ZINC000546597949 301502383 /nfs/dbraw/zinc/50/23/83/301502383.db2.gz DUMVFRFJKYRXLE-CYBMUJFWSA-N -1 3 322.455 2.980 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-]C2(C)Cc3ccccc3C2)s1 ZINC000547304364 301524089 /nfs/dbraw/zinc/52/40/89/301524089.db2.gz OZUXGHJBNIYADK-UHFFFAOYSA-N -1 3 322.455 2.541 20 0 DFADHM CCc1cccc(C(=O)N(CCO)CC2CCCCC2)c1[O-] ZINC000547949889 301554147 /nfs/dbraw/zinc/55/41/47/301554147.db2.gz OTGLONWZOUDQPK-UHFFFAOYSA-N -1 3 305.418 2.969 20 0 DFADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc2c(c1)CCO2)C(F)(F)F ZINC000548146183 301569093 /nfs/dbraw/zinc/56/90/93/301569093.db2.gz RMQVRZYBSHGLRN-GFCCVEGCSA-N -1 3 323.336 2.631 20 0 DFADHM CC(=O)c1cccc(NC(=O)Cn2ncc3ccccc32)c1[O-] ZINC000552069557 301680011 /nfs/dbraw/zinc/68/00/11/301680011.db2.gz ZSQPWXKEUAVKQA-UHFFFAOYSA-N -1 3 309.325 2.583 20 0 DFADHM O=C(NCCc1ccc(=O)[nH]c1)c1cc([O-])c2ccccc2c1 ZINC000552230699 301687195 /nfs/dbraw/zinc/68/71/95/301687195.db2.gz UNXATEOUWCTUAJ-UHFFFAOYSA-N -1 3 308.337 2.619 20 0 DFADHM CN(Cc1ccccc1Cl)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553161731 301705327 /nfs/dbraw/zinc/70/53/27/301705327.db2.gz FXWHCSAUXSWWSO-UHFFFAOYSA-N -1 3 317.776 2.985 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)c[n-]c12 ZINC000553205510 301706800 /nfs/dbraw/zinc/70/68/00/301706800.db2.gz MMAYUKZOIZYYMM-HBYGRHMLSA-N -1 3 300.333 2.504 20 0 DFADHM C[C@H]1CCN(C(=O)c2cnn3c2OCCC3)c2c([O-])cccc21 ZINC000556734795 301805233 /nfs/dbraw/zinc/80/52/33/301805233.db2.gz WAFLPGBPSMLURZ-NSHDSACASA-N -1 3 313.357 2.525 20 0 DFADHM CC(C)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)C(F)(F)F ZINC000558719798 301857773 /nfs/dbraw/zinc/85/77/73/301857773.db2.gz FGRSSNVMUFSOHF-UHFFFAOYSA-N -1 3 312.291 2.846 20 0 DFADHM O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1csc(=O)[n-]1 ZINC000562358336 301964874 /nfs/dbraw/zinc/96/48/74/301964874.db2.gz 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O=C(Nc1c(F)cccc1NC1CC1)c1cccc2nn[n-]c21 ZINC000188255180 316219127 /nfs/dbraw/zinc/21/91/27/316219127.db2.gz MYQPEAAKYLQZDP-UHFFFAOYSA-N -1 3 311.320 2.924 20 0 DFADHM O=C(Nc1c(F)cccc1NC1CC1)c1cccc2[n-]nnc21 ZINC000188255180 316219130 /nfs/dbraw/zinc/21/91/30/316219130.db2.gz MYQPEAAKYLQZDP-UHFFFAOYSA-N -1 3 311.320 2.924 20 0 DFADHM O=C(Nc1c(F)cccc1NC1CC1)c1cccc2n[n-]nc21 ZINC000188255180 316219134 /nfs/dbraw/zinc/21/91/34/316219134.db2.gz MYQPEAAKYLQZDP-UHFFFAOYSA-N -1 3 311.320 2.924 20 0 DFADHM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc3[n-]nnc32)n1 ZINC000188514101 316222121 /nfs/dbraw/zinc/22/21/21/316222121.db2.gz CXLPLTPQQMWBQR-HNNXBMFYSA-N -1 3 307.357 2.639 20 0 DFADHM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc3nn[n-]c32)n1 ZINC000188514101 316222124 /nfs/dbraw/zinc/22/21/24/316222124.db2.gz CXLPLTPQQMWBQR-HNNXBMFYSA-N -1 3 307.357 2.639 20 0 DFADHM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc3n[n-]nc32)n1 ZINC000188514101 316222128 /nfs/dbraw/zinc/22/21/28/316222128.db2.gz CXLPLTPQQMWBQR-HNNXBMFYSA-N -1 3 307.357 2.639 20 0 DFADHM CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000314877464 316240733 /nfs/dbraw/zinc/24/07/33/316240733.db2.gz JXFOBLXIWKUUFW-LSDHHAIUSA-N -1 3 312.454 2.504 20 0 DFADHM CCOc1ccc(C(C)=O)cc1CN(CC(=O)[O-])CC(C)C ZINC000316238260 316245014 /nfs/dbraw/zinc/24/50/14/316245014.db2.gz BNLZFGDDEWGVGZ-UHFFFAOYSA-N -1 3 307.390 2.831 20 0 DFADHM O=C([O-])C[C@H]1CN(CCC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000317233569 316246809 /nfs/dbraw/zinc/24/68/09/316246809.db2.gz YKMWFNXLGULNIH-KUNBBXKYSA-N -1 3 307.434 2.768 20 0 DFADHM CCOc1ccc(C(C)=O)cc1CN1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000322533132 316258461 /nfs/dbraw/zinc/25/84/61/316258461.db2.gz XLGMQVIQQNQXNF-BLLLJJGKSA-N -1 3 319.401 2.973 20 0 DFADHM COCc1cccc(Cc2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000350478097 316392713 /nfs/dbraw/zinc/39/27/13/316392713.db2.gz HAOHYMVSTUPAJA-UHFFFAOYSA-N -1 3 321.340 2.745 20 0 DFADHM c1ccc(OCCc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000350481722 316392884 /nfs/dbraw/zinc/39/28/84/316392884.db2.gz JQHWWPSYALPVNR-UHFFFAOYSA-N -1 3 307.313 2.629 20 0 DFADHM CC(C)Oc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)nc1 ZINC000350508543 316395065 /nfs/dbraw/zinc/39/50/65/316395065.db2.gz LJTYXWMGOOIGOB-UHFFFAOYSA-N -1 3 322.328 2.857 20 0 DFADHM CCc1ccc([O-])c(-c2nc([C@@H]3CCCN(C(C)=O)C3)no2)c1 ZINC000350563943 316402092 /nfs/dbraw/zinc/40/20/92/316402092.db2.gz DFUFZGDXLWEIMZ-CYBMUJFWSA-N -1 3 315.373 2.731 20 0 DFADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)c2cnn(C)c2n1 ZINC000350566237 316402993 /nfs/dbraw/zinc/40/29/93/316402993.db2.gz MKIKMIDUESUJKC-UHFFFAOYSA-N -1 3 307.313 2.699 20 0 DFADHM Cc1nn(C)c2nc(-c3nc(-c4ccc([O-])cc4)no3)ccc12 ZINC000350566458 316403156 /nfs/dbraw/zinc/40/31/56/316403156.db2.gz CBDNLYPCEJGOBE-UHFFFAOYSA-N -1 3 307.313 2.699 20 0 DFADHM [O-]c1ccccc1-c1nc(-c2cccc(-n3cncn3)c2)no1 ZINC000350572056 316405530 /nfs/dbraw/zinc/40/55/30/316405530.db2.gz YRISSBDUUWQATN-UHFFFAOYSA-N -1 3 305.297 2.690 20 0 DFADHM CC1(C)Cc2ccc(-c3nc(C[C@@H]4CCCO4)no3)c([O-])c2O1 ZINC000350578959 316406415 /nfs/dbraw/zinc/40/64/15/316406415.db2.gz XIBQUEFIBAUDQV-NSHDSACASA-N -1 3 316.357 2.877 20 0 DFADHM CCCC(=O)N1CCC(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000350579287 316406739 /nfs/dbraw/zinc/40/67/39/316406739.db2.gz OCBUICHHZFOLJG-UHFFFAOYSA-N -1 3 315.373 2.948 20 0 DFADHM CN(C)C(=O)c1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000350581479 316407626 /nfs/dbraw/zinc/40/76/26/316407626.db2.gz QKLWUISEBKLTLH-UHFFFAOYSA-N -1 3 309.325 2.811 20 0 DFADHM [O-]c1cncc(/C=C/c2nc(Cc3ccc4c(c3)OCO4)no2)c1 ZINC000350603767 316412818 /nfs/dbraw/zinc/41/28/18/316412818.db2.gz ZSIUYTJIONRXCZ-DUXPYHPUSA-N -1 3 323.308 2.660 20 0 DFADHM CCOc1cc(-c2noc(/C=C/c3ccnn3C)n2)ccc1[O-] ZINC000350793645 316426216 /nfs/dbraw/zinc/42/62/16/316426216.db2.gz NDHKKASPFSFLKP-FNORWQNLSA-N -1 3 312.329 2.745 20 0 DFADHM CCOc1cc(-c2noc(COc3cccnc3)n2)ccc1[O-] ZINC000350797420 316426762 /nfs/dbraw/zinc/42/67/62/316426762.db2.gz XGCPUUFBNVAESC-UHFFFAOYSA-N -1 3 313.313 2.815 20 0 DFADHM [O-]c1ccccc1-c1nc(Cc2nncn2-c2ccccc2)no1 ZINC000351047511 316456579 /nfs/dbraw/zinc/45/65/79/316456579.db2.gz CAYZSLSUJATLQG-UHFFFAOYSA-N -1 3 319.324 2.614 20 0 DFADHM CON1CCC(c2noc(Cc3ccc([O-])cc3Cl)n2)CC1 ZINC000351244926 316496710 /nfs/dbraw/zinc/49/67/10/316496710.db2.gz UXZSMVVOKORCQA-UHFFFAOYSA-N -1 3 323.780 2.760 20 0 DFADHM CCOc1cc(-c2nc(C3(N)CCC3)no2)cc(Cl)c1[O-] ZINC000414629604 316636008 /nfs/dbraw/zinc/63/60/08/316636008.db2.gz RAWHZPZXWKPANT-UHFFFAOYSA-N -1 3 309.753 2.832 20 0 DFADHM Cn1cnc2cc(CN[C@H](CC(=O)[O-])c3ccccc3)ccc21 ZINC000426769123 316825720 /nfs/dbraw/zinc/82/57/20/316825720.db2.gz GALLCUPPRGMPHD-OAHLLOKOSA-N -1 3 309.369 2.879 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)CCc1ccccc1F ZINC000427150912 316836711 /nfs/dbraw/zinc/83/67/11/316836711.db2.gz SMBNAJSKUPDMKJ-VIFPVBQESA-N -1 3 319.336 2.543 20 0 DFADHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nc(C)c(C)s2)o1 ZINC000434956705 316918878 /nfs/dbraw/zinc/91/88/78/316918878.db2.gz ZRHUTSAREKHCOY-VIFPVBQESA-N -1 3 300.405 2.701 20 0 DFADHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000442770157 316942727 /nfs/dbraw/zinc/94/27/27/316942727.db2.gz PDEYFBQFCLSWGX-DTWKUNHWSA-N -1 3 308.325 2.567 20 0 DFADHM Cn1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1 ZINC000442824452 316945434 /nfs/dbraw/zinc/94/54/34/316945434.db2.gz SWNARCLRJHNJSU-UHFFFAOYSA-N -1 3 300.236 2.882 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2cc(C)cc(OCCO)c2)c1 ZINC000446722272 317019776 /nfs/dbraw/zinc/01/97/76/317019776.db2.gz DBWJNGBFPWUFNY-UHFFFAOYSA-N -1 3 301.342 2.632 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000450156936 317064274 /nfs/dbraw/zinc/06/42/74/317064274.db2.gz MAQDGNWGXDXTSZ-CYBMUJFWSA-N -1 3 307.365 2.682 20 0 DFADHM COCC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccco1 ZINC000450507805 317102856 /nfs/dbraw/zinc/10/28/56/317102856.db2.gz VJSNGODLMDSKGK-ZDUSSCGKSA-N -1 3 307.321 2.561 20 0 DFADHM COCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccco1 ZINC000450507804 317103069 /nfs/dbraw/zinc/10/30/69/317103069.db2.gz VJSNGODLMDSKGK-CYBMUJFWSA-N -1 3 307.321 2.561 20 0 DFADHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1sccc1Cl ZINC000451436855 317110668 /nfs/dbraw/zinc/11/06/68/317110668.db2.gz XEPGEACEEFBYLU-SNVBAGLBSA-N -1 3 322.883 2.554 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2C)[n-]c(=O)n1 ZINC000456836755 317256916 /nfs/dbraw/zinc/25/69/16/317256916.db2.gz IBWIQCUVXIPSPX-OAHLLOKOSA-N -1 3 315.348 2.915 20 0 DFADHM CC[C@@H]1CO[C@@H](C)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459301851 317314961 /nfs/dbraw/zinc/31/49/61/317314961.db2.gz NCLKAPPYVSEPKM-XJKSGUPXSA-N -1 3 313.401 2.849 20 0 DFADHM O=c1cc(CN2CCCC[C@H]2CCO)nc(-c2ccccc2)[n-]1 ZINC000459335696 317319997 /nfs/dbraw/zinc/31/99/97/317319997.db2.gz IEDNCEHRDHDASI-INIZCTEOSA-N -1 3 313.401 2.586 20 0 DFADHM O=c1cc(CN2CCOc3ccc(F)cc32)nc(C2CC2)[n-]1 ZINC000459338087 317320960 /nfs/dbraw/zinc/32/09/60/317320960.db2.gz FQNIFWQXPNJXIB-UHFFFAOYSA-N -1 3 301.321 2.598 20 0 DFADHM O=c1cc(CN2CCC(C(F)(F)F)CC2)nc(C2CC2)[n-]1 ZINC000459338903 317321177 /nfs/dbraw/zinc/32/11/77/317321177.db2.gz BKHZCIVMBYCJEE-UHFFFAOYSA-N -1 3 301.312 2.834 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c1Cl ZINC000489998714 317503956 /nfs/dbraw/zinc/50/39/56/317503956.db2.gz NZRKZVQMFIZHFE-UHFFFAOYSA-N -1 3 309.765 2.972 20 0 DFADHM C[C@H](CCOCc1ccccc1)NC(=O)c1csc(=O)[n-]1 ZINC000490778207 317534285 /nfs/dbraw/zinc/53/42/85/317534285.db2.gz YFIQPTCHIATMBU-LLVKDONJSA-N -1 3 306.387 2.574 20 0 DFADHM O=C(/C=C/Sc1cc(F)ccc1F)NCc1ncccc1[O-] ZINC000493755654 317640186 /nfs/dbraw/zinc/64/01/86/317640186.db2.gz OIIQSKGDTAIUJD-FNORWQNLSA-N -1 3 322.336 2.988 20 0 DFADHM CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)c1cccc([O-])c1 ZINC000497228272 317673313 /nfs/dbraw/zinc/67/33/13/317673313.db2.gz NIDHCLUJBYSEKN-UHFFFAOYSA-N -1 3 322.405 2.815 20 0 DFADHM CCc1cc(C(=O)NC[C@H](CO)C2CCCCC2)ccc1[O-] ZINC000509758621 317699563 /nfs/dbraw/zinc/69/95/63/317699563.db2.gz LVFFLQLJRBXTOT-MRXNPFEDSA-N -1 3 305.418 2.873 20 0 DFADHM C[N-]S(=O)(=O)c1ccc(-c2ccc(OC3CC3)cc2)s1 ZINC000527589809 317751319 /nfs/dbraw/zinc/75/13/19/317751319.db2.gz UMSNWRHVCLJWHT-UHFFFAOYSA-N -1 3 309.412 2.864 20 0 DFADHM O=C([N-]c1nc2c(s1)CCCCC2)c1noc2c1COCC2 ZINC000527595743 317751952 /nfs/dbraw/zinc/75/19/52/317751952.db2.gz URPXQZWFDGHNPX-UHFFFAOYSA-N -1 3 319.386 2.725 20 0 DFADHM COC[C@@H](C)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000531266989 317796741 /nfs/dbraw/zinc/79/67/41/317796741.db2.gz JEJBPRAJAXHEOH-QMMMGPOBSA-N -1 3 302.168 2.766 20 0 DFADHM CC(C)c1c(C(=O)Nc2ncccc2[O-])cnn1-c1ccccn1 ZINC000541236867 317812637 /nfs/dbraw/zinc/81/26/37/317812637.db2.gz BRPYQTAZUFIWNC-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000547651464 317857727 /nfs/dbraw/zinc/85/77/27/317857727.db2.gz FHLJJXORUHFWMA-CJNGLKHVSA-N -1 3 318.417 2.597 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000557628396 317874525 /nfs/dbraw/zinc/87/45/25/317874525.db2.gz WUMCQMVTFLSGNA-CHWSQXEVSA-N -1 3 301.390 2.758 20 0 DFADHM CC1CC(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)C1 ZINC000558634769 317885416 /nfs/dbraw/zinc/88/54/16/317885416.db2.gz CWMUMSYISWZVBW-UHFFFAOYSA-N -1 3 304.781 2.542 20 0 DFADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(CSC)c1)OC ZINC000571906590 317994544 /nfs/dbraw/zinc/99/45/44/317994544.db2.gz UZLNFGDEIFFFDX-ZDUSSCGKSA-N -1 3 303.449 2.716 20 0 DFADHM CCCN(CC(=O)Nc1ccccc1C)Cc1ncccc1[O-] ZINC000572763490 318003032 /nfs/dbraw/zinc/00/30/32/318003032.db2.gz MMMNYRUAJMOZQZ-UHFFFAOYSA-N -1 3 313.401 2.946 20 0 DFADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCO[C@H](CF)C3)c2c1 ZINC000574641193 318030621 /nfs/dbraw/zinc/03/06/21/318030621.db2.gz UBWPKDCCLQEKRQ-GFCCVEGCSA-N -1 3 318.348 2.725 20 0 DFADHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000574994391 318055987 /nfs/dbraw/zinc/05/59/87/318055987.db2.gz ZDZKOZTZDSJITE-NOZJJQNGSA-N -1 3 323.817 2.555 20 0 DFADHM O=C([N-]c1nncn1-c1cccnc1)c1coc(C2CCCC2)n1 ZINC000575165995 318068002 /nfs/dbraw/zinc/06/80/02/318068002.db2.gz RMPMFGQFDOZVTL-UHFFFAOYSA-N -1 3 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306.369 2.581 20 0 DFADHM Cc1cccc(CC2CN(C(=O)c3cccc4n[n-]nc43)C2)c1 ZINC000682164914 545809962 /nfs/dbraw/zinc/80/99/62/545809962.db2.gz VJMCJCCAYIEVBC-UHFFFAOYSA-N -1 3 306.369 2.581 20 0 DFADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cccc2[n-]nnc21 ZINC000682168005 545811052 /nfs/dbraw/zinc/81/10/52/545811052.db2.gz VQXMGXUAVLLYDA-RKDXNWHRSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cccc2nn[n-]c21 ZINC000682168005 545811053 /nfs/dbraw/zinc/81/10/53/545811053.db2.gz VQXMGXUAVLLYDA-RKDXNWHRSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cccc2n[n-]nc21 ZINC000682168005 545811054 /nfs/dbraw/zinc/81/10/54/545811054.db2.gz VQXMGXUAVLLYDA-RKDXNWHRSA-N -1 3 312.295 2.761 20 0 DFADHM Cc1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])co1 ZINC000682365089 545830836 /nfs/dbraw/zinc/83/08/36/545830836.db2.gz XJPMCGKCGUXBQL-UHFFFAOYSA-N -1 3 302.208 2.840 20 0 DFADHM COc1cc(C(=O)NC[C@H]2CCc3ccccc3C2)ccc1[O-] ZINC000682381327 545836014 /nfs/dbraw/zinc/83/60/14/545836014.db2.gz VOJYSNWBGAOJLW-ZDUSSCGKSA-N -1 3 311.381 2.936 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC[C@@H]1CCO ZINC000682454061 545852449 /nfs/dbraw/zinc/85/24/49/545852449.db2.gz GKIBPMGXUIEPNW-CQSZACIVSA-N -1 3 309.381 2.618 20 0 DFADHM Cc1nc(CNC(=O)CCCc2ccc([O-])c(F)c2)cs1 ZINC000682465326 545854590 /nfs/dbraw/zinc/85/45/90/545854590.db2.gz PDMBDFDNQOVJCM-UHFFFAOYSA-N -1 3 308.378 2.935 20 0 DFADHM COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)nc1 ZINC000682506356 545863247 /nfs/dbraw/zinc/86/32/47/545863247.db2.gz YDZDJKICIPPOGH-UHFFFAOYSA-N -1 3 304.321 2.896 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@H](c3cnn(C)c3)C2)c([O-])c1 ZINC000682533455 545869970 /nfs/dbraw/zinc/86/99/70/545869970.db2.gz JCKUFDXKZSTGTM-CQSZACIVSA-N -1 3 313.401 2.708 20 0 DFADHM Cc1ccc([O-])c(CN2CCN(c3ccccc3F)C[C@H]2C)n1 ZINC000682789339 545916380 /nfs/dbraw/zinc/91/63/80/545916380.db2.gz KHRVDUQSGQDIPE-CQSZACIVSA-N -1 3 315.392 2.945 20 0 DFADHM C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] 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DFADHM Cc1nc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)sc1C ZINC000683540464 546056786 /nfs/dbraw/zinc/05/67/86/546056786.db2.gz KSXZSGYEZIPHKA-UHFFFAOYSA-N -1 3 313.386 2.652 20 0 DFADHM Cc1nc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)sc1C ZINC000683562553 546061642 /nfs/dbraw/zinc/06/16/42/546061642.db2.gz UCLXUJWQCSPPPD-UHFFFAOYSA-N -1 3 322.337 2.969 20 0 DFADHM Cc1ccc(C(=O)[N-]c2nn3cnnc3s2)c(F)c1Cl ZINC000684117458 546154307 /nfs/dbraw/zinc/15/43/07/546154307.db2.gz AVOOEGVXBWQJFV-UHFFFAOYSA-N -1 3 311.729 2.539 20 0 DFADHM CCC[C@@H](NC(=O)NCc1ncccc1[O-])c1ccccn1 ZINC000684262939 546184170 /nfs/dbraw/zinc/18/41/70/546184170.db2.gz MXTUWKXNFRRSMZ-CYBMUJFWSA-N -1 3 300.362 2.523 20 0 DFADHM O=S(=O)([N-]CC1(C(F)F)CC1)c1ccc(F)c(Cl)c1 ZINC000684593649 546248705 /nfs/dbraw/zinc/24/87/05/546248705.db2.gz JIXMHZQINGDSIW-UHFFFAOYSA-N -1 3 313.728 2.803 20 0 DFADHM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccccn1 ZINC000684598736 546250231 /nfs/dbraw/zinc/25/02/31/546250231.db2.gz FTICIYLRKCERBN-UKRRQHHQSA-N -1 3 320.389 2.835 20 0 DFADHM Cc1ncc([N-]S(=O)(=O)Cc2ccccc2)c(C2CC2)n1 ZINC000685006728 546319210 /nfs/dbraw/zinc/31/92/10/546319210.db2.gz HAWAXBWMJKUTNS-UHFFFAOYSA-N -1 3 303.387 2.604 20 0 DFADHM Cc1cc(C)cc(-c2noc(-c3cc(=O)[n-]c(N(C)C)n3)n2)c1 ZINC000685301243 546340112 /nfs/dbraw/zinc/34/01/12/546340112.db2.gz DTHVKQGYIAQCQW-UHFFFAOYSA-N -1 3 311.345 2.582 20 0 DFADHM Cc1ccc2sc(C(=O)[N-]c3nn4cnnc4s3)cc2c1 ZINC000685587729 546372141 /nfs/dbraw/zinc/37/21/41/546372141.db2.gz MCXSCNQNWLFNCP-UHFFFAOYSA-N -1 3 315.383 2.961 20 0 DFADHM O=C(Nc1ccc2c(c1)NC(=O)CO2)c1cc([O-])ccc1Cl ZINC000685584157 546372242 /nfs/dbraw/zinc/37/22/42/546372242.db2.gz HLKDLSHQXDLALU-UHFFFAOYSA-N -1 3 318.716 2.629 20 0 DFADHM Cc1nn(C)c2ncc(NC(=O)c3cc([O-])ccc3Cl)cc12 ZINC000685589103 546373507 /nfs/dbraw/zinc/37/35/07/546373507.db2.gz QTMGRZFXJPOZIM-UHFFFAOYSA-N -1 3 316.748 2.888 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCc2ccc(O)cc2CC1 ZINC000685693891 546384999 /nfs/dbraw/zinc/38/49/99/546384999.db2.gz ADDBMHVIIZAROI-UHFFFAOYSA-N -1 3 317.772 2.992 20 0 DFADHM COc1ccc(CN(C)C(=O)c2cc([O-])ccc2Cl)cn1 ZINC000685794284 546390599 /nfs/dbraw/zinc/39/05/99/546390599.db2.gz ZTQVOGOIFWKCGR-UHFFFAOYSA-N -1 3 306.749 2.721 20 0 DFADHM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)c1cc([O-])ccc1Cl ZINC000685816477 546393907 /nfs/dbraw/zinc/39/39/07/546393907.db2.gz DGAILIBWYXLIFT-ZBEGNZNMSA-N -1 3 319.788 2.940 20 0 DFADHM Cc1nnc(NC2C[C@H](C)C[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737519254 598857236 /nfs/dbraw/zinc/85/72/36/598857236.db2.gz BZVISRYGHCZSCQ-RKDXNWHRSA-N -1 3 301.398 2.510 20 0 DFADHM Cc1nnc(NC2C[C@H](C)C[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737519254 598857237 /nfs/dbraw/zinc/85/72/37/598857237.db2.gz BZVISRYGHCZSCQ-RKDXNWHRSA-N -1 3 301.398 2.510 20 0 DFADHM Cc1ccccc1-c1noc(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737419415 598859745 /nfs/dbraw/zinc/85/97/45/598859745.db2.gz WEOQRPKTUHLUFW-UHFFFAOYSA-N -1 3 304.313 2.892 20 0 DFADHM Cc1ccccc1-c1noc(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737419415 598859746 /nfs/dbraw/zinc/85/97/46/598859746.db2.gz WEOQRPKTUHLUFW-UHFFFAOYSA-N -1 3 304.313 2.892 20 0 DFADHM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736116162 598876928 /nfs/dbraw/zinc/87/69/28/598876928.db2.gz KZTJNJLOXNHGSY-JTQLQIEISA-N -1 3 300.366 2.567 20 0 DFADHM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736116162 598876929 /nfs/dbraw/zinc/87/69/29/598876929.db2.gz KZTJNJLOXNHGSY-JTQLQIEISA-N -1 3 300.366 2.567 20 0 DFADHM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736348379 598905673 /nfs/dbraw/zinc/90/56/73/598905673.db2.gz AJJHSVBTBZCAAM-LBPRGKRZSA-N -1 3 314.393 2.807 20 0 DFADHM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736348379 598905675 /nfs/dbraw/zinc/90/56/75/598905675.db2.gz AJJHSVBTBZCAAM-LBPRGKRZSA-N -1 3 314.393 2.807 20 0 DFADHM C[C@H]1CCCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736267846 598920234 /nfs/dbraw/zinc/92/02/34/598920234.db2.gz PPMRSPFHKAUXLT-NSHDSACASA-N -1 3 300.366 2.663 20 0 DFADHM C[C@H]1CCCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736267846 598920236 /nfs/dbraw/zinc/92/02/36/598920236.db2.gz PPMRSPFHKAUXLT-NSHDSACASA-N -1 3 300.366 2.663 20 0 DFADHM CCOC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736602868 598963970 /nfs/dbraw/zinc/96/39/70/598963970.db2.gz PBQYKYOCCNQPCM-UHFFFAOYSA-N -1 3 324.340 2.622 20 0 DFADHM CCOC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736602868 598963971 /nfs/dbraw/zinc/96/39/71/598963971.db2.gz PBQYKYOCCNQPCM-UHFFFAOYSA-N -1 3 324.340 2.622 20 0 DFADHM C[C@@H]1C[C@H](C)N(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736225766 598972056 /nfs/dbraw/zinc/97/20/56/598972056.db2.gz DEJVLPDYGUGIBM-SFYZADRCSA-N -1 3 312.299 2.515 20 0 DFADHM C[C@@H]1C[C@H](C)N(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736225766 598972058 /nfs/dbraw/zinc/97/20/58/598972058.db2.gz DEJVLPDYGUGIBM-SFYZADRCSA-N -1 3 312.299 2.515 20 0 DFADHM CCc1ccc(CCOC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736682672 598974415 /nfs/dbraw/zinc/97/44/15/598974415.db2.gz KPIUBDGQRXDIHH-UHFFFAOYSA-N -1 3 322.368 2.829 20 0 DFADHM CCc1ccc(CCOC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736682672 598974417 /nfs/dbraw/zinc/97/44/17/598974417.db2.gz KPIUBDGQRXDIHH-UHFFFAOYSA-N -1 3 322.368 2.829 20 0 DFADHM CC(C)CC[C@](C)(O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC000735796394 598974763 /nfs/dbraw/zinc/97/47/63/598974763.db2.gz BFGLFVLVCXVDLK-HNNXBMFYSA-N -1 3 307.373 2.605 20 0 DFADHM CC(C)CC[C@](C)(O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC000735796394 598974765 /nfs/dbraw/zinc/97/47/65/598974765.db2.gz BFGLFVLVCXVDLK-HNNXBMFYSA-N -1 3 307.373 2.605 20 0 DFADHM O=C(CCC1CC1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737823512 598981353 /nfs/dbraw/zinc/98/13/53/598981353.db2.gz IBGUVMBPTMNUKJ-UHFFFAOYSA-N -1 3 317.418 2.936 20 0 DFADHM O=C(CCC1CC1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737823512 598981354 /nfs/dbraw/zinc/98/13/54/598981354.db2.gz IBGUVMBPTMNUKJ-UHFFFAOYSA-N -1 3 317.418 2.936 20 0 DFADHM C[C@@H](CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000736014393 599006834 /nfs/dbraw/zinc/00/68/34/599006834.db2.gz NMIVHSAIZZCACQ-LBPRGKRZSA-N -1 3 315.421 2.598 20 0 DFADHM C[C@@H](CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000736014393 599006835 /nfs/dbraw/zinc/00/68/35/599006835.db2.gz NMIVHSAIZZCACQ-LBPRGKRZSA-N -1 3 315.421 2.598 20 0 DFADHM Cc1cccc([C@H](C)NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000737390029 599019205 /nfs/dbraw/zinc/01/92/05/599019205.db2.gz RFQYZIUEPSFPDX-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cccc([C@H](C)NC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000737390029 599019207 /nfs/dbraw/zinc/01/92/07/599019207.db2.gz RFQYZIUEPSFPDX-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM C[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736278700 599036447 /nfs/dbraw/zinc/03/64/47/599036447.db2.gz UPIXCCJDDMJNDM-MRVPVSSYSA-N -1 3 312.299 2.517 20 0 DFADHM C[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736278700 599036450 /nfs/dbraw/zinc/03/64/50/599036450.db2.gz UPIXCCJDDMJNDM-MRVPVSSYSA-N -1 3 312.299 2.517 20 0 DFADHM Cc1cccc([C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737390278 599040091 /nfs/dbraw/zinc/04/00/91/599040091.db2.gz RZWTYGQSDUPHAP-ZDUSSCGKSA-N -1 3 321.384 2.709 20 0 DFADHM Cc1cccc([C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737390278 599040093 /nfs/dbraw/zinc/04/00/93/599040093.db2.gz RZWTYGQSDUPHAP-ZDUSSCGKSA-N -1 3 321.384 2.709 20 0 DFADHM CC(C)[C@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735703076 599042731 /nfs/dbraw/zinc/04/27/31/599042731.db2.gz REGNMCKFAROOPP-QMMMGPOBSA-N -1 3 314.315 2.761 20 0 DFADHM CC(C)[C@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735703076 599042733 /nfs/dbraw/zinc/04/27/33/599042733.db2.gz REGNMCKFAROOPP-QMMMGPOBSA-N -1 3 314.315 2.761 20 0 DFADHM C[C@@H](C1CC1)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735963716 599042754 /nfs/dbraw/zinc/04/27/54/599042754.db2.gz KOIXMLUIPRVWPS-ZETCQYMHSA-N -1 3 312.299 2.515 20 0 DFADHM C[C@@H](C1CC1)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735963716 599042756 /nfs/dbraw/zinc/04/27/56/599042756.db2.gz KOIXMLUIPRVWPS-ZETCQYMHSA-N -1 3 312.299 2.515 20 0 DFADHM CC1(C)[C@H](Nc2cccc(F)c2-c2nnn[n-]2)[C@@H]2CCCO[C@@H]21 ZINC000820584346 599043135 /nfs/dbraw/zinc/04/31/35/599043135.db2.gz HZASGZQOFWLAQI-FZZIBODNSA-N -1 3 317.368 2.621 20 0 DFADHM CC1(C)[C@H](Nc2cccc(F)c2-c2nn[n-]n2)[C@@H]2CCCO[C@@H]21 ZINC000820584346 599043137 /nfs/dbraw/zinc/04/31/37/599043137.db2.gz HZASGZQOFWLAQI-FZZIBODNSA-N -1 3 317.368 2.621 20 0 DFADHM COc1cc(CCNc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000737045996 599045101 /nfs/dbraw/zinc/04/51/01/599045101.db2.gz XKJHGMSPXVMYRH-UHFFFAOYSA-N -1 3 309.373 2.838 20 0 DFADHM C[C@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736262468 599053252 /nfs/dbraw/zinc/05/32/52/599053252.db2.gz MUZDWIMZHONZLV-IONNQARKSA-N -1 3 312.299 2.881 20 0 DFADHM C[C@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736262468 599053254 /nfs/dbraw/zinc/05/32/54/599053254.db2.gz MUZDWIMZHONZLV-IONNQARKSA-N -1 3 312.299 2.881 20 0 DFADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ncccc2-c2nnn[n-]2)C1 ZINC000820666235 599060192 /nfs/dbraw/zinc/06/01/92/599060192.db2.gz HHJAVSPRGRQTRC-ABAIWWIYSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ncccc2-c2nn[n-]n2)C1 ZINC000820666235 599060195 /nfs/dbraw/zinc/06/01/95/599060195.db2.gz HHJAVSPRGRQTRC-ABAIWWIYSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@H]1C[C@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC000736233642 599060383 /nfs/dbraw/zinc/06/03/83/599060383.db2.gz FVNZVTISOUWJPS-WFASDCNBSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1C[C@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC000736233642 599060385 /nfs/dbraw/zinc/06/03/85/599060385.db2.gz FVNZVTISOUWJPS-WFASDCNBSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC000736233639 599060868 /nfs/dbraw/zinc/06/08/68/599060868.db2.gz FVNZVTISOUWJPS-DOMZBBRYSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC000736233639 599060871 /nfs/dbraw/zinc/06/08/71/599060871.db2.gz FVNZVTISOUWJPS-DOMZBBRYSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ncccc1-c1nnn[n-]1 ZINC000736234001 599061051 /nfs/dbraw/zinc/06/10/51/599061051.db2.gz HNZIILIQMYUKEX-TZMCWYRMSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ncccc1-c1nn[n-]n1 ZINC000736234001 599061054 /nfs/dbraw/zinc/06/10/54/599061054.db2.gz HNZIILIQMYUKEX-TZMCWYRMSA-N -1 3 306.373 2.644 20 0 DFADHM CS[C@@H]1CC[C@@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821950568 599073404 /nfs/dbraw/zinc/07/34/04/599073404.db2.gz OWXLZGRNSFTPDV-RKDXNWHRSA-N -1 3 311.361 2.841 20 0 DFADHM CS[C@@H]1CC[C@@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821950568 599073407 /nfs/dbraw/zinc/07/34/07/599073407.db2.gz OWXLZGRNSFTPDV-RKDXNWHRSA-N -1 3 311.361 2.841 20 0 DFADHM CS[C@H]1CC[C@@H](Nc2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000821951527 599073962 /nfs/dbraw/zinc/07/39/62/599073962.db2.gz ZVVGWDBHBXZELL-MNOVXSKESA-N -1 3 304.423 2.575 20 0 DFADHM CS[C@H]1CC[C@@H](Nc2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000821951527 599073965 /nfs/dbraw/zinc/07/39/65/599073965.db2.gz ZVVGWDBHBXZELL-MNOVXSKESA-N -1 3 304.423 2.575 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736245278 599074131 /nfs/dbraw/zinc/07/41/31/599074131.db2.gz RWAZIHMSJAVAHX-NXEZZACHSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736245278 599074134 /nfs/dbraw/zinc/07/41/34/599074134.db2.gz RWAZIHMSJAVAHX-NXEZZACHSA-N -1 3 303.341 2.771 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1CCCOC1 ZINC000822743667 607258347 /nfs/dbraw/zinc/25/83/47/607258347.db2.gz CLIAIEFITYSYBS-SNVBAGLBSA-N -1 3 308.382 2.666 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1CCCOC1 ZINC000822743667 607258348 /nfs/dbraw/zinc/25/83/48/607258348.db2.gz CLIAIEFITYSYBS-SNVBAGLBSA-N -1 3 308.382 2.666 20 0 DFADHM CCC(CC)(CNc1nnc(C)c(C)c1-c1nnn[n-]1)SC ZINC000820887664 599085574 /nfs/dbraw/zinc/08/55/74/599085574.db2.gz LDPCVSUGCWYNRM-UHFFFAOYSA-N -1 3 321.454 2.607 20 0 DFADHM CCC(CC)(CNc1nnc(C)c(C)c1-c1nn[n-]n1)SC ZINC000820887664 599085578 /nfs/dbraw/zinc/08/55/78/599085578.db2.gz LDPCVSUGCWYNRM-UHFFFAOYSA-N -1 3 321.454 2.607 20 0 DFADHM O[C@@H](CCNc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823675787 599087176 /nfs/dbraw/zinc/08/71/76/599087176.db2.gz ZRCNCTGCBGAHLL-HNNXBMFYSA-N -1 3 313.336 2.541 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736237083 599341523 /nfs/dbraw/zinc/34/15/23/599341523.db2.gz MKOYBEZDJWXLGM-LALPHHSUSA-N -1 3 311.389 2.660 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736237083 599341526 /nfs/dbraw/zinc/34/15/26/599341526.db2.gz MKOYBEZDJWXLGM-LALPHHSUSA-N -1 3 311.389 2.660 20 0 DFADHM Fc1ccc(CSC[C@H]2CCCOC2)c(-c2nnn[n-]2)c1 ZINC000822774595 607258417 /nfs/dbraw/zinc/25/84/17/607258417.db2.gz MWURKTOUJRRTDT-JTQLQIEISA-N -1 3 308.382 2.666 20 0 DFADHM Fc1ccc(CSC[C@H]2CCCOC2)c(-c2nn[n-]n2)c1 ZINC000822774595 607258418 /nfs/dbraw/zinc/25/84/18/607258418.db2.gz MWURKTOUJRRTDT-JTQLQIEISA-N -1 3 308.382 2.666 20 0 DFADHM CC(C)[C@@H](C)SCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820020396 599128701 /nfs/dbraw/zinc/12/87/01/599128701.db2.gz FRDZTDXQJRXNTK-MRVPVSSYSA-N -1 3 311.436 2.644 20 0 DFADHM CC(C)[C@@H](C)SCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820020396 599128703 /nfs/dbraw/zinc/12/87/03/599128703.db2.gz FRDZTDXQJRXNTK-MRVPVSSYSA-N -1 3 311.436 2.644 20 0 DFADHM CC(C)[C@@H](C)S[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820550140 599130945 /nfs/dbraw/zinc/13/09/45/599130945.db2.gz UVRHNWQURSSVBM-GHMZBOCLSA-N -1 3 319.434 2.971 20 0 DFADHM CC(C)[C@@H](C)S[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820550140 599130948 /nfs/dbraw/zinc/13/09/48/599130948.db2.gz UVRHNWQURSSVBM-GHMZBOCLSA-N -1 3 319.434 2.971 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)/C=C(/C)C(C)(C)C ZINC000821699264 599134554 /nfs/dbraw/zinc/13/45/54/599134554.db2.gz IRFKHKWVHPXQEA-NTMALXAHSA-N -1 3 316.361 2.773 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)/C=C(/C)C(C)(C)C ZINC000821699264 599134555 /nfs/dbraw/zinc/13/45/55/599134555.db2.gz IRFKHKWVHPXQEA-NTMALXAHSA-N -1 3 316.361 2.773 20 0 DFADHM CC[C@H]1CCC[C@@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736400857 599156203 /nfs/dbraw/zinc/15/62/03/599156203.db2.gz SSZJDUVBJUWVRD-SWLSCSKDSA-N -1 3 314.389 2.921 20 0 DFADHM CC[C@H]1CCC[C@@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736400857 599156205 /nfs/dbraw/zinc/15/62/05/599156205.db2.gz SSZJDUVBJUWVRD-SWLSCSKDSA-N -1 3 314.389 2.921 20 0 DFADHM CC1(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)COC1 ZINC000736217478 599159061 /nfs/dbraw/zinc/15/90/61/599159061.db2.gz WMSAHJHZFHDLJN-UHFFFAOYSA-N -1 3 322.368 2.949 20 0 DFADHM CC1(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)COC1 ZINC000736217478 599159062 /nfs/dbraw/zinc/15/90/62/599159062.db2.gz WMSAHJHZFHDLJN-UHFFFAOYSA-N -1 3 322.368 2.949 20 0 DFADHM CC(C)CSCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000735850478 599159173 /nfs/dbraw/zinc/15/91/73/599159173.db2.gz REYZAXQZZVYKHN-UHFFFAOYSA-N -1 3 316.390 2.806 20 0 DFADHM CC(C)CSCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735850478 599159175 /nfs/dbraw/zinc/15/91/75/599159175.db2.gz REYZAXQZZVYKHN-UHFFFAOYSA-N -1 3 316.390 2.806 20 0 DFADHM Cn1c(Cl)cnc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737590079 599169112 /nfs/dbraw/zinc/16/91/12/599169112.db2.gz GRSXKFLQDSOTQK-UHFFFAOYSA-N -1 3 324.772 2.685 20 0 DFADHM Cn1c(Cl)cnc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737590079 599169113 /nfs/dbraw/zinc/16/91/13/599169113.db2.gz GRSXKFLQDSOTQK-UHFFFAOYSA-N -1 3 324.772 2.685 20 0 DFADHM Cc1nnc(N2CCC(C(C)(C)C)CC2)c(-c2nnn[n-]2)c1C ZINC000737519717 599171490 /nfs/dbraw/zinc/17/14/90/599171490.db2.gz CZMFMHQWEPLUAB-UHFFFAOYSA-N -1 3 315.425 2.536 20 0 DFADHM Cc1nnc(N2CCC(C(C)(C)C)CC2)c(-c2nn[n-]n2)c1C ZINC000737519717 599171492 /nfs/dbraw/zinc/17/14/92/599171492.db2.gz CZMFMHQWEPLUAB-UHFFFAOYSA-N -1 3 315.425 2.536 20 0 DFADHM Fc1cccc(F)c1[C@H]1C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000737659345 599171947 /nfs/dbraw/zinc/17/19/47/599171947.db2.gz CLRGDVCHVZTCDK-JOYOIKCWSA-N -1 3 314.299 2.508 20 0 DFADHM Fc1cccc(F)c1[C@H]1C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000737659345 599171950 /nfs/dbraw/zinc/17/19/50/599171950.db2.gz CLRGDVCHVZTCDK-JOYOIKCWSA-N -1 3 314.299 2.508 20 0 DFADHM CC(C)C(C)(C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735691484 599187166 /nfs/dbraw/zinc/18/71/66/599187166.db2.gz DWGSHLNXKWEXSZ-UHFFFAOYSA-N -1 3 306.345 2.562 20 0 DFADHM CC(C)C(C)(C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735691484 599187167 /nfs/dbraw/zinc/18/71/67/599187167.db2.gz DWGSHLNXKWEXSZ-UHFFFAOYSA-N -1 3 306.345 2.562 20 0 DFADHM CC(C)n1ccc(CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735964661 599191466 /nfs/dbraw/zinc/19/14/66/599191466.db2.gz CZXIXPNCZQAQBU-UHFFFAOYSA-N -1 3 300.391 2.936 20 0 DFADHM CC(C)n1ccc(CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735964661 599191467 /nfs/dbraw/zinc/19/14/67/599191467.db2.gz CZXIXPNCZQAQBU-UHFFFAOYSA-N -1 3 300.391 2.936 20 0 DFADHM FC(F)(F)CCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000822714854 599358842 /nfs/dbraw/zinc/35/88/42/599358842.db2.gz VEPVAXNZPKJSTO-UHFFFAOYSA-N -1 3 312.299 2.505 20 0 DFADHM FC(F)(F)CCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000822714854 599358845 /nfs/dbraw/zinc/35/88/45/599358845.db2.gz VEPVAXNZPKJSTO-UHFFFAOYSA-N -1 3 312.299 2.505 20 0 DFADHM CCC[C@]1(C)CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821027638 599222991 /nfs/dbraw/zinc/22/29/91/599222991.db2.gz PNAWEAWAFFXZFY-QGZVFWFLSA-N -1 3 313.405 2.909 20 0 DFADHM CCC[C@]1(C)CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821027638 599222992 /nfs/dbraw/zinc/22/29/92/599222992.db2.gz PNAWEAWAFFXZFY-QGZVFWFLSA-N -1 3 313.405 2.909 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCC1CCC1 ZINC000821702202 599225574 /nfs/dbraw/zinc/22/55/74/599225574.db2.gz LEEJACHZLXCKBT-UHFFFAOYSA-N -1 3 320.418 2.787 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCC1CCC1 ZINC000821702202 599225577 /nfs/dbraw/zinc/22/55/77/599225577.db2.gz LEEJACHZLXCKBT-UHFFFAOYSA-N -1 3 320.418 2.787 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCC2Cc3ccccc3C2)n1 ZINC000737240405 599231528 /nfs/dbraw/zinc/23/15/28/599231528.db2.gz KDBPYEYCQQGLHA-UHFFFAOYSA-N -1 3 320.400 2.705 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCC2Cc3ccccc3C2)n1 ZINC000737240405 599231530 /nfs/dbraw/zinc/23/15/30/599231530.db2.gz KDBPYEYCQQGLHA-UHFFFAOYSA-N -1 3 320.400 2.705 20 0 DFADHM CS[C@H]1CCC[C@@H](Nc2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000737178639 599232855 /nfs/dbraw/zinc/23/28/55/599232855.db2.gz BIFZKXKZYNNVGF-NEPJUHHUSA-N -1 3 318.450 2.965 20 0 DFADHM CS[C@H]1CCC[C@@H](Nc2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000737178639 599232859 /nfs/dbraw/zinc/23/28/59/599232859.db2.gz BIFZKXKZYNNVGF-NEPJUHHUSA-N -1 3 318.450 2.965 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820870329 599227762 /nfs/dbraw/zinc/22/77/62/599227762.db2.gz QNOWJIYHLFSSRY-WDEREUQCSA-N -1 3 318.450 2.978 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820870329 599227764 /nfs/dbraw/zinc/22/77/64/599227764.db2.gz QNOWJIYHLFSSRY-WDEREUQCSA-N -1 3 318.450 2.978 20 0 DFADHM Brc1ccc(NC2CCCC2)c(-c2nnn[n-]2)c1 ZINC000735367908 599361091 /nfs/dbraw/zinc/36/10/91/599361091.db2.gz ARNPABXIIQSKRY-UHFFFAOYSA-N -1 3 308.183 2.984 20 0 DFADHM Brc1ccc(NC2CCCC2)c(-c2nn[n-]n2)c1 ZINC000735367908 599361093 /nfs/dbraw/zinc/36/10/93/599361093.db2.gz ARNPABXIIQSKRY-UHFFFAOYSA-N -1 3 308.183 2.984 20 0 DFADHM CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000820919794 599243111 /nfs/dbraw/zinc/24/31/11/599243111.db2.gz GQXPCHBARJOFHD-AWEZNQCLSA-N -1 3 323.360 2.535 20 0 DFADHM CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000820919794 599243112 /nfs/dbraw/zinc/24/31/12/599243112.db2.gz GQXPCHBARJOFHD-AWEZNQCLSA-N -1 3 323.360 2.535 20 0 DFADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820697446 599245734 /nfs/dbraw/zinc/24/57/34/599245734.db2.gz HIUMXIAJUPARCS-RYUDHWBXSA-N -1 3 314.393 2.909 20 0 DFADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820697446 599245735 /nfs/dbraw/zinc/24/57/35/599245735.db2.gz HIUMXIAJUPARCS-RYUDHWBXSA-N -1 3 314.393 2.909 20 0 DFADHM Cc1c(NC(=O)N(C)CCC(C)C)cccc1-c1nnn[n-]1 ZINC000822077836 607282986 /nfs/dbraw/zinc/28/29/86/607282986.db2.gz ZBRYQGBITQLOBP-UHFFFAOYSA-N -1 3 302.382 2.685 20 0 DFADHM Cc1c(NC(=O)N(C)CCC(C)C)cccc1-c1nn[n-]n1 ZINC000822077836 607282987 /nfs/dbraw/zinc/28/29/87/607282987.db2.gz ZBRYQGBITQLOBP-UHFFFAOYSA-N -1 3 302.382 2.685 20 0 DFADHM Cc1c(NC(=O)NC[C@H](C)C(C)C)cccc1-c1nnn[n-]1 ZINC000822095696 607282535 /nfs/dbraw/zinc/28/25/35/607282535.db2.gz HDSGPGZFLAZCRC-JTQLQIEISA-N -1 3 302.382 2.589 20 0 DFADHM Cc1c(NC(=O)NC[C@H](C)C(C)C)cccc1-c1nn[n-]n1 ZINC000822095696 607282536 /nfs/dbraw/zinc/28/25/36/607282536.db2.gz HDSGPGZFLAZCRC-JTQLQIEISA-N -1 3 302.382 2.589 20 0 DFADHM Cc1c(NC(=O)NC[C@@H](C)C(C)C)cccc1-c1nnn[n-]1 ZINC000822095697 607282612 /nfs/dbraw/zinc/28/26/12/607282612.db2.gz HDSGPGZFLAZCRC-SNVBAGLBSA-N -1 3 302.382 2.589 20 0 DFADHM Cc1c(NC(=O)NC[C@@H](C)C(C)C)cccc1-c1nn[n-]n1 ZINC000822095697 607282613 /nfs/dbraw/zinc/28/26/13/607282613.db2.gz HDSGPGZFLAZCRC-SNVBAGLBSA-N -1 3 302.382 2.589 20 0 DFADHM Cc1c(NC(=O)N[C@H](C)C2CCCC2)cccc1-c1nnn[n-]1 ZINC000822089706 607288524 /nfs/dbraw/zinc/28/85/24/607288524.db2.gz GILAXCQLQUAGQK-LLVKDONJSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@H](C)C2CCCC2)cccc1-c1nn[n-]n1 ZINC000822089706 607288525 /nfs/dbraw/zinc/28/85/25/607288525.db2.gz GILAXCQLQUAGQK-LLVKDONJSA-N -1 3 314.393 2.875 20 0 DFADHM CCC(C)(CC)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820854326 607291299 /nfs/dbraw/zinc/29/12/99/607291299.db2.gz UFXWHHOBUIOQIU-UHFFFAOYSA-N -1 3 302.382 2.875 20 0 DFADHM CCC(C)(CC)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820854326 607291300 /nfs/dbraw/zinc/29/13/00/607291300.db2.gz UFXWHHOBUIOQIU-UHFFFAOYSA-N -1 3 302.382 2.875 20 0 DFADHM CCS[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1C)C(C)C ZINC000821446945 607294454 /nfs/dbraw/zinc/29/44/54/607294454.db2.gz GEXPTTGUTBHTRD-ZDUSSCGKSA-N -1 3 319.434 2.891 20 0 DFADHM CCS[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1C)C(C)C ZINC000821446945 607294455 /nfs/dbraw/zinc/29/44/55/607294455.db2.gz GEXPTTGUTBHTRD-ZDUSSCGKSA-N -1 3 319.434 2.891 20 0 DFADHM O[C@@H]1CCCC[C@H]1CCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000823706739 607306573 /nfs/dbraw/zinc/30/65/73/607306573.db2.gz OGEGQCIHDCHDFK-SMDDNHRTSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@@H]1CCCC[C@H]1CCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000823706739 607306574 /nfs/dbraw/zinc/30/65/74/607306574.db2.gz OGEGQCIHDCHDFK-SMDDNHRTSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@H]1CCCC[C@@H]1CCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000823706736 607306603 /nfs/dbraw/zinc/30/66/03/607306603.db2.gz OGEGQCIHDCHDFK-RISCZKNCSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@H]1CCCC[C@@H]1CCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000823706736 607306604 /nfs/dbraw/zinc/30/66/04/607306604.db2.gz OGEGQCIHDCHDFK-RISCZKNCSA-N -1 3 319.384 2.749 20 0 DFADHM c1cnn(-c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)c1 ZINC000823816767 607309693 /nfs/dbraw/zinc/30/96/93/607309693.db2.gz XLYGAIZAOBVLIK-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM c1cnn(-c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2)c1 ZINC000823816767 607309694 /nfs/dbraw/zinc/30/96/94/607309694.db2.gz XLYGAIZAOBVLIK-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N(Cc1ccccn1)C1CC1 ZINC000822744524 607303975 /nfs/dbraw/zinc/30/39/75/607303975.db2.gz VRAYEXHJOWZUBM-UHFFFAOYSA-N -1 3 310.336 2.570 20 0 DFADHM C/C=C(/C)C(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OCC ZINC000820825939 607304582 /nfs/dbraw/zinc/30/45/82/607304582.db2.gz HTQACSTZWJECAU-YWEYNIOJSA-N -1 3 322.752 2.790 20 0 DFADHM C/C=C(/C)C(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OCC ZINC000820825939 607304583 /nfs/dbraw/zinc/30/45/83/607304583.db2.gz HTQACSTZWJECAU-YWEYNIOJSA-N -1 3 322.752 2.790 20 0 DFADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CC(=O)[O-] ZINC000263190194 597670277 /nfs/dbraw/zinc/67/02/77/597670277.db2.gz YCHNMTNZFLBYBH-UHFFFAOYSA-N -1 3 321.808 2.718 20 0 DFADHM CCN(C(=O)c1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508059 599309710 /nfs/dbraw/zinc/30/97/10/599309710.db2.gz IZLMFWKKRZRPNU-UHFFFAOYSA-N -1 3 307.357 2.842 20 0 DFADHM CCN(C(=O)c1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508059 599309713 /nfs/dbraw/zinc/30/97/13/599309713.db2.gz IZLMFWKKRZRPNU-UHFFFAOYSA-N -1 3 307.357 2.842 20 0 DFADHM CCN(C(=O)c1cc(C)oc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506457 599309874 /nfs/dbraw/zinc/30/98/74/599309874.db2.gz YUDHQUCAFDPZBF-UHFFFAOYSA-N -1 3 311.345 2.743 20 0 DFADHM FCCOc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822737486 607319139 /nfs/dbraw/zinc/31/91/39/607319139.db2.gz XEKQPVFUNZINCM-UHFFFAOYSA-N -1 3 319.365 2.889 20 0 DFADHM CCN(C(=O)c1cc(C)oc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506457 599309875 /nfs/dbraw/zinc/30/98/75/599309875.db2.gz YUDHQUCAFDPZBF-UHFFFAOYSA-N -1 3 311.345 2.743 20 0 DFADHM CCc1ccccc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821492476 607318397 /nfs/dbraw/zinc/31/83/97/607318397.db2.gz NXJYFDHOFDMODL-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM CCc1ccccc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821492476 607318398 /nfs/dbraw/zinc/31/83/98/607318398.db2.gz NXJYFDHOFDMODL-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM Cc1nc(CSc2cc(-c3nnn[n-]3)ccn2)sc1C ZINC000737476427 599285326 /nfs/dbraw/zinc/28/53/26/599285326.db2.gz DINXOKCKMJPPFF-UHFFFAOYSA-N -1 3 304.404 2.627 20 0 DFADHM Cc1nc(CSc2cc(-c3nn[n-]n3)ccn2)sc1C ZINC000737476427 599285327 /nfs/dbraw/zinc/28/53/27/599285327.db2.gz DINXOKCKMJPPFF-UHFFFAOYSA-N -1 3 304.404 2.627 20 0 DFADHM CNc1nnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736888759 599288673 /nfs/dbraw/zinc/28/86/73/599288673.db2.gz NYYNBMXLOZMDNU-SSDOTTSWSA-N -1 3 319.419 2.613 20 0 DFADHM CNc1nnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736888759 599288674 /nfs/dbraw/zinc/28/86/74/599288674.db2.gz NYYNBMXLOZMDNU-SSDOTTSWSA-N -1 3 319.419 2.613 20 0 DFADHM CCn1c(C)nnc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736720654 599290074 /nfs/dbraw/zinc/29/00/74/599290074.db2.gz VVSGGWAHDIHROE-VIFPVBQESA-N -1 3 315.406 2.640 20 0 DFADHM CCn1c(C)nnc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736720654 599290076 /nfs/dbraw/zinc/29/00/76/599290076.db2.gz VVSGGWAHDIHROE-VIFPVBQESA-N -1 3 315.406 2.640 20 0 DFADHM COc1cc(CN2CCC(C(=O)[O-])CC2)ccc1OC(C)C ZINC000066114668 598118727 /nfs/dbraw/zinc/11/87/27/598118727.db2.gz DXKWVSXPFOJNMM-UHFFFAOYSA-N -1 3 307.390 2.779 20 0 DFADHM Cc1cn(Cc2ccc(Br)s2)cc1-c1nnn[n-]1 ZINC000822383724 607329449 /nfs/dbraw/zinc/32/94/49/607329449.db2.gz AWDOHQAKAIHHQU-UHFFFAOYSA-N -1 3 324.207 2.849 20 0 DFADHM Cc1cn(Cc2ccc(Br)s2)cc1-c1nn[n-]n1 ZINC000822383724 607329450 /nfs/dbraw/zinc/32/94/50/607329450.db2.gz AWDOHQAKAIHHQU-UHFFFAOYSA-N -1 3 324.207 2.849 20 0 DFADHM Cc1cn(Cc2csc(C(C)(C)C)n2)cc1-c1nnn[n-]1 ZINC000822384433 607330533 /nfs/dbraw/zinc/33/05/33/607330533.db2.gz LVRVXKUMVYCIBG-UHFFFAOYSA-N -1 3 302.407 2.779 20 0 DFADHM Cc1cn(Cc2csc(C(C)(C)C)n2)cc1-c1nn[n-]n1 ZINC000822384433 607330534 /nfs/dbraw/zinc/33/05/34/607330534.db2.gz LVRVXKUMVYCIBG-UHFFFAOYSA-N -1 3 302.407 2.779 20 0 DFADHM COc1ccc([C@H](C)NCCC(=O)[O-])c(Br)c1 ZINC000820820276 598191812 /nfs/dbraw/zinc/19/18/12/598191812.db2.gz PEFUCLKBMIJQRT-QMMMGPOBSA-N -1 3 302.168 2.583 20 0 DFADHM O=C([O-])c1cccc(CNCc2ccc3c(c2)OCCCO3)c1 ZINC000263450893 598203160 /nfs/dbraw/zinc/20/31/60/598203160.db2.gz ZMORWKWNFIRMOI-UHFFFAOYSA-N -1 3 313.353 2.836 20 0 DFADHM CC(C)(C)c1nc(Sc2cccc(F)c2-c2nnn[n-]2)n[nH]1 ZINC000735654928 598235655 /nfs/dbraw/zinc/23/56/55/598235655.db2.gz LFEXQHUXZMBTJO-UHFFFAOYSA-N -1 3 319.369 2.573 20 0 DFADHM CN(Cc1ccc(Cl)nc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000736816405 598236704 /nfs/dbraw/zinc/23/67/04/598236704.db2.gz GNFJVXUQIOHXNM-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1ccc(Cl)nc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000736816405 598236705 /nfs/dbraw/zinc/23/67/05/598236705.db2.gz GNFJVXUQIOHXNM-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM Fc1ccc(F)c(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737660851 598243965 /nfs/dbraw/zinc/24/39/65/598243965.db2.gz SQASMRFGPIWVCA-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Cc1cccc2c1CC[C@H]2Nc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000737409691 598244897 /nfs/dbraw/zinc/24/48/97/598244897.db2.gz QLLDTIIJJQYPJZ-CQSZACIVSA-N -1 3 321.388 2.681 20 0 DFADHM Cc1cccc2c1CC[C@H]2Nc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000737409691 598244898 /nfs/dbraw/zinc/24/48/98/598244898.db2.gz QLLDTIIJJQYPJZ-CQSZACIVSA-N -1 3 321.388 2.681 20 0 DFADHM CC(C)(C)c1csc(CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000735656049 598244929 /nfs/dbraw/zinc/24/49/29/598244929.db2.gz GXPBOWJSDRFTAB-UHFFFAOYSA-N -1 3 315.406 2.628 20 0 DFADHM CC(C)(C)c1csc(CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000735656049 598244930 /nfs/dbraw/zinc/24/49/30/598244930.db2.gz GXPBOWJSDRFTAB-UHFFFAOYSA-N -1 3 315.406 2.628 20 0 DFADHM COc1cccc2c1OCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737143470 598248736 /nfs/dbraw/zinc/24/87/36/598248736.db2.gz RPJXVGTWQKRORV-CQSZACIVSA-N -1 3 323.356 2.811 20 0 DFADHM CCC(CC)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736346039 598276378 /nfs/dbraw/zinc/27/63/78/598276378.db2.gz PCXSMIADBLLVEN-UHFFFAOYSA-N -1 3 319.413 2.733 20 0 DFADHM CCC(CC)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736346039 598276379 /nfs/dbraw/zinc/27/63/79/598276379.db2.gz PCXSMIADBLLVEN-UHFFFAOYSA-N -1 3 319.413 2.733 20 0 DFADHM Cn1nccc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826366531 608400123 /nfs/dbraw/zinc/40/01/23/608400123.db2.gz MOORIXRNGWMOEP-UHFFFAOYSA-N -1 3 306.782 2.546 20 0 DFADHM O=C(OCc1ccccc1-c1nnn[n-]1)C1CCCCCC1 ZINC000738235522 598302768 /nfs/dbraw/zinc/30/27/68/598302768.db2.gz SEVMOWXYJCWLSZ-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM O=C(OCc1ccccc1-c1nn[n-]n1)C1CCCCCC1 ZINC000738235522 598302770 /nfs/dbraw/zinc/30/27/70/598302770.db2.gz SEVMOWXYJCWLSZ-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM Cn1nccc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826366531 608400124 /nfs/dbraw/zinc/40/01/24/608400124.db2.gz MOORIXRNGWMOEP-UHFFFAOYSA-N -1 3 306.782 2.546 20 0 DFADHM CCOCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736628044 598328541 /nfs/dbraw/zinc/32/85/41/598328541.db2.gz ZHQCHAODYDYBDO-UHFFFAOYSA-N -1 3 323.356 2.656 20 0 DFADHM CCOCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736628044 598328542 /nfs/dbraw/zinc/32/85/42/598328542.db2.gz ZHQCHAODYDYBDO-UHFFFAOYSA-N -1 3 323.356 2.656 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCc2ccccn2)n1 ZINC000737242304 598372416 /nfs/dbraw/zinc/37/24/16/598372416.db2.gz WHAZNWDTMWLMAP-UHFFFAOYSA-N -1 3 312.402 2.608 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCc2ccccn2)n1 ZINC000737242304 598372418 /nfs/dbraw/zinc/37/24/18/598372418.db2.gz WHAZNWDTMWLMAP-UHFFFAOYSA-N -1 3 312.402 2.608 20 0 DFADHM Cn1ccc2c1cccc2NC(=O)c1sccc1-c1nnn[n-]1 ZINC000737613895 598385876 /nfs/dbraw/zinc/38/58/76/598385876.db2.gz QLTYARLFEBPMMA-UHFFFAOYSA-N -1 3 324.369 2.672 20 0 DFADHM Cn1ccc2c1cccc2NC(=O)c1sccc1-c1nn[n-]n1 ZINC000737613895 598385878 /nfs/dbraw/zinc/38/58/78/598385878.db2.gz QLTYARLFEBPMMA-UHFFFAOYSA-N -1 3 324.369 2.672 20 0 DFADHM CN(CC1CCCCC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736795765 598387406 /nfs/dbraw/zinc/38/74/06/598387406.db2.gz YJGVMQCUESODHU-UHFFFAOYSA-N -1 3 306.801 2.932 20 0 DFADHM CN(CC1CCCCC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736795765 598387407 /nfs/dbraw/zinc/38/74/07/598387407.db2.gz YJGVMQCUESODHU-UHFFFAOYSA-N -1 3 306.801 2.932 20 0 DFADHM Fc1cccc(N[C@H]2CCN(c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000737660457 598388318 /nfs/dbraw/zinc/38/83/18/598388318.db2.gz JXNIIODIIPDBEC-LBPRGKRZSA-N -1 3 324.363 2.697 20 0 DFADHM Fc1cccc(N[C@H]2CCN(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000737660457 598388319 /nfs/dbraw/zinc/38/83/19/598388319.db2.gz JXNIIODIIPDBEC-LBPRGKRZSA-N -1 3 324.363 2.697 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCCc2ccccc2C1 ZINC000737641743 598390207 /nfs/dbraw/zinc/39/02/07/598390207.db2.gz XPLKNQDSWVHRLC-UHFFFAOYSA-N -1 3 309.348 2.959 20 0 DFADHM Cc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)s1 ZINC000737343342 598391103 /nfs/dbraw/zinc/39/11/03/598391103.db2.gz VMZZPZKVYYTOHL-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)s1 ZINC000737343342 598391105 /nfs/dbraw/zinc/39/11/05/598391105.db2.gz VMZZPZKVYYTOHL-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Fc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000737647281 598392406 /nfs/dbraw/zinc/39/24/06/598392406.db2.gz AWLQZDSANOKISU-UHFFFAOYSA-N -1 3 322.706 2.805 20 0 DFADHM Fc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000737647281 598392408 /nfs/dbraw/zinc/39/24/08/598392408.db2.gz AWLQZDSANOKISU-UHFFFAOYSA-N -1 3 322.706 2.805 20 0 DFADHM CC(C)CCNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000735811707 598413857 /nfs/dbraw/zinc/41/38/57/598413857.db2.gz RGRROSWVFFUKBA-NSHDSACASA-N -1 3 319.434 2.510 20 0 DFADHM CC(C)CCNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000735811707 598413858 /nfs/dbraw/zinc/41/38/58/598413858.db2.gz RGRROSWVFFUKBA-NSHDSACASA-N -1 3 319.434 2.510 20 0 DFADHM Clc1ncccc1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000737583961 598414650 /nfs/dbraw/zinc/41/46/50/598414650.db2.gz OWDWIRXPHCSBPS-UHFFFAOYSA-N -1 3 304.766 2.602 20 0 DFADHM Clc1ncccc1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000737583961 598414651 /nfs/dbraw/zinc/41/46/51/598414651.db2.gz OWDWIRXPHCSBPS-UHFFFAOYSA-N -1 3 304.766 2.602 20 0 DFADHM CSc1ccsc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737193023 598419576 /nfs/dbraw/zinc/41/95/76/598419576.db2.gz VHUFXEXPZVIWKJ-UHFFFAOYSA-N -1 3 323.428 2.964 20 0 DFADHM CSc1ccsc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737193023 598419578 /nfs/dbraw/zinc/41/95/78/598419578.db2.gz VHUFXEXPZVIWKJ-UHFFFAOYSA-N -1 3 323.428 2.964 20 0 DFADHM CN(Cc1ccc(F)cc1Cl)c1ncccc1-c1nnn[n-]1 ZINC000736818917 598425553 /nfs/dbraw/zinc/42/55/53/598425553.db2.gz DNBZKSSVFQRWKU-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1ccc(F)cc1Cl)c1ncccc1-c1nn[n-]n1 ZINC000736818917 598425555 /nfs/dbraw/zinc/42/55/55/598425555.db2.gz DNBZKSSVFQRWKU-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM Cc1ccc(F)c(C(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737344898 598426489 /nfs/dbraw/zinc/42/64/89/598426489.db2.gz LSINGSNVWUIMTK-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccc(F)c(C(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737344898 598426490 /nfs/dbraw/zinc/42/64/90/598426490.db2.gz LSINGSNVWUIMTK-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736431291 598439728 /nfs/dbraw/zinc/43/97/28/598439728.db2.gz GKJAIAMUFCBNDK-AWEZNQCLSA-N -1 3 322.372 2.533 20 0 DFADHM CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736431291 598439729 /nfs/dbraw/zinc/43/97/29/598439729.db2.gz GKJAIAMUFCBNDK-AWEZNQCLSA-N -1 3 322.372 2.533 20 0 DFADHM Cc1nc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000737471714 598469093 /nfs/dbraw/zinc/46/90/93/598469093.db2.gz SHELQLOAASCQHG-ZCFIWIBFSA-N -1 3 321.797 2.853 20 0 DFADHM Cc1nc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000737471714 598469094 /nfs/dbraw/zinc/46/90/94/598469094.db2.gz SHELQLOAASCQHG-ZCFIWIBFSA-N -1 3 321.797 2.853 20 0 DFADHM COCc1cc(CNc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737015809 598469012 /nfs/dbraw/zinc/46/90/12/598469012.db2.gz FRLQNTWCQWNJCE-UHFFFAOYSA-N -1 3 313.336 2.764 20 0 DFADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1C=CCC1 ZINC000735660186 598486056 /nfs/dbraw/zinc/48/60/56/598486056.db2.gz JHLQGXLJENIHHL-NSHDSACASA-N -1 3 314.393 2.718 20 0 DFADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1C=CCC1 ZINC000735660186 598486057 /nfs/dbraw/zinc/48/60/57/598486057.db2.gz JHLQGXLJENIHHL-NSHDSACASA-N -1 3 314.393 2.718 20 0 DFADHM C[C@@H](OC(=O)c1cc(Cl)c[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158604 598486157 /nfs/dbraw/zinc/48/61/57/598486157.db2.gz HXVHQPVUWKFVTD-MRVPVSSYSA-N -1 3 317.736 2.766 20 0 DFADHM C[C@@H](OC(=O)c1cc(Cl)c[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158604 598486158 /nfs/dbraw/zinc/48/61/58/598486158.db2.gz HXVHQPVUWKFVTD-MRVPVSSYSA-N -1 3 317.736 2.766 20 0 DFADHM C[C@@H](OC(=O)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736157776 598490862 /nfs/dbraw/zinc/49/08/62/598490862.db2.gz MIJFPNAKNCIOBL-SNVBAGLBSA-N -1 3 312.304 2.924 20 0 DFADHM C[C@@H](OC(=O)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736157776 598490863 /nfs/dbraw/zinc/49/08/63/598490863.db2.gz MIJFPNAKNCIOBL-SNVBAGLBSA-N -1 3 312.304 2.924 20 0 DFADHM Cc1ccc([S@](=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737370040 598491082 /nfs/dbraw/zinc/49/10/82/598491082.db2.gz MQCRYOIJODIINT-JOCHJYFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1ccc([S@](=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737370040 598491084 /nfs/dbraw/zinc/49/10/84/598491084.db2.gz MQCRYOIJODIINT-JOCHJYFZSA-N -1 3 312.398 2.791 20 0 DFADHM CCCSCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736498064 598492456 /nfs/dbraw/zinc/49/24/56/598492456.db2.gz OLRFFPSACMQWIG-SNVBAGLBSA-N -1 3 306.391 2.614 20 0 DFADHM CCCSCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736498064 598492458 /nfs/dbraw/zinc/49/24/58/598492458.db2.gz OLRFFPSACMQWIG-SNVBAGLBSA-N -1 3 306.391 2.614 20 0 DFADHM Fc1cccc(OCCOc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000737666542 598514479 /nfs/dbraw/zinc/51/44/79/598514479.db2.gz ZEDDVIPYEBNLTH-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM CCOc1ccccc1CCNc1ccc(-c2nn[n-]n2)cc1 ZINC000736653110 598520993 /nfs/dbraw/zinc/52/09/93/598520993.db2.gz GKLOWSFIEHIMRU-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM Cc1cc(N[C@@H]2C[C@H]2C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737274986 598523444 /nfs/dbraw/zinc/52/34/44/598523444.db2.gz RZPFXVXXJBXWFA-BXKDBHETSA-N -1 3 319.372 2.796 20 0 DFADHM Cc1cc(N[C@@H]2C[C@H]2C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737274986 598523445 /nfs/dbraw/zinc/52/34/45/598523445.db2.gz RZPFXVXXJBXWFA-BXKDBHETSA-N -1 3 319.372 2.796 20 0 DFADHM Fc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc(F)c1F ZINC000737645434 598538160 /nfs/dbraw/zinc/53/81/60/598538160.db2.gz YDVBUVDQKWPZQR-IWQZZHSRSA-N -1 3 303.247 2.849 20 0 DFADHM Fc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc(F)c1F ZINC000737645434 598538162 /nfs/dbraw/zinc/53/81/62/598538162.db2.gz YDVBUVDQKWPZQR-IWQZZHSRSA-N -1 3 303.247 2.849 20 0 DFADHM Cc1ccc(C)c(CC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000737323629 598539531 /nfs/dbraw/zinc/53/95/31/598539531.db2.gz UEMJFGSTSSTXEQ-UHFFFAOYSA-N -1 3 313.386 2.726 20 0 DFADHM Cc1ccc(C)c(CC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000737323629 598539532 /nfs/dbraw/zinc/53/95/32/598539532.db2.gz UEMJFGSTSSTXEQ-UHFFFAOYSA-N -1 3 313.386 2.726 20 0 DFADHM C[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccn1 ZINC000736137824 598591865 /nfs/dbraw/zinc/59/18/65/598591865.db2.gz MLVHEAGXWKWWQL-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000736137824 598591867 /nfs/dbraw/zinc/59/18/67/598591867.db2.gz MLVHEAGXWKWWQL-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM CC(C)N(C)c1cccc(Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735859052 598592078 /nfs/dbraw/zinc/59/20/78/598592078.db2.gz MPXYCFFYTPAXKO-UHFFFAOYSA-N -1 3 309.377 2.850 20 0 DFADHM CC(C)N(C)c1cccc(Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735859052 598592080 /nfs/dbraw/zinc/59/20/80/598592080.db2.gz MPXYCFFYTPAXKO-UHFFFAOYSA-N -1 3 309.377 2.850 20 0 DFADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736436420 598608592 /nfs/dbraw/zinc/60/85/92/598608592.db2.gz QOGBMKSONCQADT-SWLSCSKDSA-N -1 3 313.405 2.955 20 0 DFADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736436420 598608593 /nfs/dbraw/zinc/60/85/93/598608593.db2.gz QOGBMKSONCQADT-SWLSCSKDSA-N -1 3 313.405 2.955 20 0 DFADHM C[C@H](O)CCN(C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000827795911 601018250 /nfs/dbraw/zinc/01/82/50/601018250.db2.gz GIAASYNZBUKDDJ-QPUJVOFHSA-N -1 3 306.189 2.822 20 0 DFADHM CC1(C)CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736210946 598622824 /nfs/dbraw/zinc/62/28/24/598622824.db2.gz JMOKKNBFWJVAHH-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CC1(C)CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736210946 598622826 /nfs/dbraw/zinc/62/28/26/598622826.db2.gz JMOKKNBFWJVAHH-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CC(C)CN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC000735819475 598627565 /nfs/dbraw/zinc/62/75/65/598627565.db2.gz WDFDTHUGJMCHJU-UHFFFAOYSA-N -1 3 318.356 2.658 20 0 DFADHM CC(C)CN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC000735819475 598627567 /nfs/dbraw/zinc/62/75/67/598627567.db2.gz WDFDTHUGJMCHJU-UHFFFAOYSA-N -1 3 318.356 2.658 20 0 DFADHM Fc1cccc(CCNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737664696 598631106 /nfs/dbraw/zinc/63/11/06/598631106.db2.gz DFTXOXUVEBNQBC-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM Fc1cccc(CCNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737664696 598631108 /nfs/dbraw/zinc/63/11/08/598631108.db2.gz DFTXOXUVEBNQBC-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM CC[C@H]1CCCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736401837 598632266 /nfs/dbraw/zinc/63/22/66/598632266.db2.gz YSUVFXYFUWFUJI-NSHDSACASA-N -1 3 318.356 2.802 20 0 DFADHM CC[C@H]1CCCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736401837 598632268 /nfs/dbraw/zinc/63/22/68/598632268.db2.gz YSUVFXYFUWFUJI-NSHDSACASA-N -1 3 318.356 2.802 20 0 DFADHM COCc1ccccc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000737022163 598633063 /nfs/dbraw/zinc/63/30/63/598633063.db2.gz MPXIKPZJDUTVJF-UHFFFAOYSA-N -1 3 313.336 2.764 20 0 DFADHM COCc1ccccc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000737022163 598633065 /nfs/dbraw/zinc/63/30/65/598633065.db2.gz MPXIKPZJDUTVJF-UHFFFAOYSA-N -1 3 313.336 2.764 20 0 DFADHM CCc1nnc([C@H](C)Sc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736708323 598640104 /nfs/dbraw/zinc/64/01/04/598640104.db2.gz WCCBPPFWIQAMJL-QMMMGPOBSA-N -1 3 302.363 2.665 20 0 DFADHM CCc1nnc([C@H](C)Sc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736708323 598640106 /nfs/dbraw/zinc/64/01/06/598640106.db2.gz WCCBPPFWIQAMJL-QMMMGPOBSA-N -1 3 302.363 2.665 20 0 DFADHM Cc1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737393790 598654911 /nfs/dbraw/zinc/65/49/11/598654911.db2.gz LPRSIAKUEVFIJA-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737393790 598654913 /nfs/dbraw/zinc/65/49/13/598654913.db2.gz LPRSIAKUEVFIJA-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cccc2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)oc21 ZINC000737407746 598659224 /nfs/dbraw/zinc/65/92/24/598659224.db2.gz FEKHXFJNTYZNIW-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1cccc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)oc21 ZINC000737407746 598659226 /nfs/dbraw/zinc/65/92/26/598659226.db2.gz FEKHXFJNTYZNIW-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM CC(C)C(C)(C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735694878 598659764 /nfs/dbraw/zinc/65/97/64/598659764.db2.gz ORJYWIODJFNIMO-UHFFFAOYSA-N -1 3 319.434 2.510 20 0 DFADHM CC(C)C(C)(C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735694878 598659765 /nfs/dbraw/zinc/65/97/65/598659765.db2.gz ORJYWIODJFNIMO-UHFFFAOYSA-N -1 3 319.434 2.510 20 0 DFADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1F ZINC000737271249 598660618 /nfs/dbraw/zinc/66/06/18/598660618.db2.gz MEOVBUDGQPPJRB-TWGQIWQCSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1F ZINC000737271249 598660619 /nfs/dbraw/zinc/66/06/19/598660619.db2.gz MEOVBUDGQPPJRB-TWGQIWQCSA-N -1 3 323.331 2.966 20 0 DFADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735747371 598661560 /nfs/dbraw/zinc/66/15/60/598661560.db2.gz CRPCNVUPSWVBCU-CABCVRRESA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735747371 598661561 /nfs/dbraw/zinc/66/15/61/598661561.db2.gz CRPCNVUPSWVBCU-CABCVRRESA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735749051 598661779 /nfs/dbraw/zinc/66/17/79/598661779.db2.gz LJJRABBFRPLOQI-ZYHUDNBSSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735749051 598661780 /nfs/dbraw/zinc/66/17/80/598661780.db2.gz LJJRABBFRPLOQI-ZYHUDNBSSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735750639 598661794 /nfs/dbraw/zinc/66/17/94/598661794.db2.gz RDDKUSRHGOZCJX-HUUCEWRRSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735750639 598661795 /nfs/dbraw/zinc/66/17/95/598661795.db2.gz RDDKUSRHGOZCJX-HUUCEWRRSA-N -1 3 313.405 2.811 20 0 DFADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736299249 598672217 /nfs/dbraw/zinc/67/22/17/598672217.db2.gz TUCOOLCSOKQANG-BZNIZROVSA-N -1 3 319.368 2.530 20 0 DFADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736299249 598672219 /nfs/dbraw/zinc/67/22/19/598672219.db2.gz TUCOOLCSOKQANG-BZNIZROVSA-N -1 3 319.368 2.530 20 0 DFADHM CC[C@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000736407561 598678703 /nfs/dbraw/zinc/67/87/03/598678703.db2.gz PJKRZNCVNDDMTP-ONGXEEELSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736407561 598678704 /nfs/dbraw/zinc/67/87/04/598678704.db2.gz PJKRZNCVNDDMTP-ONGXEEELSA-N -1 3 307.785 2.524 20 0 DFADHM Fc1ccc(CSC[C@@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC000737648952 598695783 /nfs/dbraw/zinc/69/57/83/598695783.db2.gz KSSGJKXBRQZCER-LBPRGKRZSA-N -1 3 308.382 2.808 20 0 DFADHM Fc1ccc(CSC[C@@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC000737648952 598695785 /nfs/dbraw/zinc/69/57/85/598695785.db2.gz KSSGJKXBRQZCER-LBPRGKRZSA-N -1 3 308.382 2.808 20 0 DFADHM C[C@@H](c1ccncc1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736201338 598699697 /nfs/dbraw/zinc/69/96/97/598699697.db2.gz CXNKLFCJNAJIAP-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737797564 598703714 /nfs/dbraw/zinc/70/37/14/598703714.db2.gz JRMWSIPPBRIQIU-RMKNXTFCSA-N -1 3 324.315 2.762 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737797564 598703715 /nfs/dbraw/zinc/70/37/15/598703715.db2.gz JRMWSIPPBRIQIU-RMKNXTFCSA-N -1 3 324.315 2.762 20 0 DFADHM CCCCCOC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736450682 598713317 /nfs/dbraw/zinc/71/33/17/598713317.db2.gz BUHXEPWMMRJRFL-UHFFFAOYSA-N -1 3 306.391 2.692 20 0 DFADHM CCCCCOC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736450682 598713320 /nfs/dbraw/zinc/71/33/20/598713320.db2.gz BUHXEPWMMRJRFL-UHFFFAOYSA-N -1 3 306.391 2.692 20 0 DFADHM C[C@@H](NC(=O)NC1(C)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114013 598723688 /nfs/dbraw/zinc/72/36/88/598723688.db2.gz UGUNKNNFNBWZAE-LLVKDONJSA-N -1 3 314.393 2.560 20 0 DFADHM C[C@@H](NC(=O)NC1(C)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114013 598723691 /nfs/dbraw/zinc/72/36/91/598723691.db2.gz UGUNKNNFNBWZAE-LLVKDONJSA-N -1 3 314.393 2.560 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Cc1ccccc1 ZINC000737290495 598742372 /nfs/dbraw/zinc/74/23/72/598742372.db2.gz WOSUPIYXKZWZNV-CYBMUJFWSA-N -1 3 321.384 2.992 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1ccccc1 ZINC000737290495 598742373 /nfs/dbraw/zinc/74/23/73/598742373.db2.gz WOSUPIYXKZWZNV-CYBMUJFWSA-N -1 3 321.384 2.992 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc([C@H](C)O)cc2)n1 ZINC000737239642 598746049 /nfs/dbraw/zinc/74/60/49/598746049.db2.gz FATJMJDGZNSIOG-LBPRGKRZSA-N -1 3 324.388 2.544 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2ccc([C@H](C)O)cc2)n1 ZINC000737239642 598746050 /nfs/dbraw/zinc/74/60/50/598746050.db2.gz FATJMJDGZNSIOG-LBPRGKRZSA-N -1 3 324.388 2.544 20 0 DFADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735750035 598749344 /nfs/dbraw/zinc/74/93/44/598749344.db2.gz OZLRAVYLHIGQHO-WFASDCNBSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000735750035 598749345 /nfs/dbraw/zinc/74/93/45/598749345.db2.gz OZLRAVYLHIGQHO-WFASDCNBSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)C[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735760898 598784916 /nfs/dbraw/zinc/78/49/16/598784916.db2.gz JSHQURDIMKDAEA-RYUDHWBXSA-N -1 3 318.377 2.612 20 0 DFADHM CC(C)C[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735760898 598784918 /nfs/dbraw/zinc/78/49/18/598784918.db2.gz JSHQURDIMKDAEA-RYUDHWBXSA-N -1 3 318.377 2.612 20 0 DFADHM Cc1ccc2oc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)cc2n1 ZINC000737379982 598788868 /nfs/dbraw/zinc/78/88/68/598788868.db2.gz JBCXQZVKQUDSSI-UHFFFAOYSA-N -1 3 321.296 2.536 20 0 DFADHM Cc1ccc2oc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)cc2n1 ZINC000737379982 598788870 /nfs/dbraw/zinc/78/88/70/598788870.db2.gz JBCXQZVKQUDSSI-UHFFFAOYSA-N -1 3 321.296 2.536 20 0 DFADHM Cc1ccc2oc(C(=O)Nc3ccccc3-c3nnn[n-]3)cc2n1 ZINC000737374013 598789086 /nfs/dbraw/zinc/78/90/86/598789086.db2.gz IXUPSNXFPHTEEQ-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1ccc2oc(C(=O)Nc3ccccc3-c3nn[n-]n3)cc2n1 ZINC000737374013 598789088 /nfs/dbraw/zinc/78/90/88/598789088.db2.gz IXUPSNXFPHTEEQ-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1ccoc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737442751 598793331 /nfs/dbraw/zinc/79/33/31/598793331.db2.gz PYKNRFGXVGJUEO-UHFFFAOYSA-N -1 3 315.358 2.571 20 0 DFADHM Cc1ccoc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737442751 598793332 /nfs/dbraw/zinc/79/33/32/598793332.db2.gz PYKNRFGXVGJUEO-UHFFFAOYSA-N -1 3 315.358 2.571 20 0 DFADHM Clc1ccc(NCCOC2CCCC2)c(-c2nnn[n-]2)c1 ZINC000737574189 598795006 /nfs/dbraw/zinc/79/50/06/598795006.db2.gz LUTXXHXSXZFTBL-UHFFFAOYSA-N -1 3 307.785 2.891 20 0 DFADHM Clc1ccc(NCCOC2CCCC2)c(-c2nn[n-]n2)c1 ZINC000737574189 598795008 /nfs/dbraw/zinc/79/50/08/598795008.db2.gz LUTXXHXSXZFTBL-UHFFFAOYSA-N -1 3 307.785 2.891 20 0 DFADHM O=C(O[C@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738221532 598799889 /nfs/dbraw/zinc/79/98/89/598799889.db2.gz XHXTZRXUHOVTLD-INIZCTEOSA-N -1 3 320.352 2.581 20 0 DFADHM O=C(O[C@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738221532 598799890 /nfs/dbraw/zinc/79/98/90/598799890.db2.gz XHXTZRXUHOVTLD-INIZCTEOSA-N -1 3 320.352 2.581 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)C(C)C ZINC000736479070 598802444 /nfs/dbraw/zinc/80/24/44/598802444.db2.gz IILQFPGHWZYMNR-CYBMUJFWSA-N -1 3 315.421 2.897 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)C(C)C ZINC000736479070 598802445 /nfs/dbraw/zinc/80/24/45/598802445.db2.gz IILQFPGHWZYMNR-CYBMUJFWSA-N -1 3 315.421 2.897 20 0 DFADHM Fc1cccc(CN(c2ncccc2-c2nnn[n-]2)C2CC2)c1 ZINC000737660398 598816152 /nfs/dbraw/zinc/81/61/52/598816152.db2.gz JMBWVQXCZWAXES-UHFFFAOYSA-N -1 3 310.336 2.570 20 0 DFADHM Fc1cccc(CN(c2ncccc2-c2nn[n-]n2)C2CC2)c1 ZINC000737660398 598816153 /nfs/dbraw/zinc/81/61/53/598816153.db2.gz JMBWVQXCZWAXES-UHFFFAOYSA-N -1 3 310.336 2.570 20 0 DFADHM CN(C(=O)C=Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733522 599304728 /nfs/dbraw/zinc/30/47/28/599304728.db2.gz SUOCMKLLUYDDHC-BJMVGYQFSA-N -1 3 323.331 2.682 20 0 DFADHM CN(C(=O)C=Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733522 599304729 /nfs/dbraw/zinc/30/47/29/599304729.db2.gz SUOCMKLLUYDDHC-BJMVGYQFSA-N -1 3 323.331 2.682 20 0 DFADHM Cc1ccc(CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334832 599306044 /nfs/dbraw/zinc/30/60/44/599306044.db2.gz MUGPLWMVMPXPPC-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM Cc1ccc(CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737334832 599306045 /nfs/dbraw/zinc/30/60/45/599306045.db2.gz MUGPLWMVMPXPPC-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CCN(C(=O)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509013 599314092 /nfs/dbraw/zinc/31/40/92/599314092.db2.gz QDTMMZDKJYCTCP-UHFFFAOYSA-N -1 3 311.320 2.673 20 0 DFADHM CCN(C(=O)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509013 599314094 /nfs/dbraw/zinc/31/40/94/599314094.db2.gz QDTMMZDKJYCTCP-UHFFFAOYSA-N -1 3 311.320 2.673 20 0 DFADHM CC(=O)c1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735495332 599322895 /nfs/dbraw/zinc/32/28/95/599322895.db2.gz FITDPHAGOGLLAA-UHFFFAOYSA-N -1 3 323.356 2.560 20 0 DFADHM CC(=O)c1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735495332 599322898 /nfs/dbraw/zinc/32/28/98/599322898.db2.gz FITDPHAGOGLLAA-UHFFFAOYSA-N -1 3 323.356 2.560 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736237476 599341682 /nfs/dbraw/zinc/34/16/82/599341682.db2.gz PKMNLFAOUJEUKF-UGFHNGPFSA-N -1 3 311.389 2.660 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736237476 599341684 /nfs/dbraw/zinc/34/16/84/599341684.db2.gz PKMNLFAOUJEUKF-UGFHNGPFSA-N -1 3 311.389 2.660 20 0 DFADHM CC(=O)Nc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819826568 599362422 /nfs/dbraw/zinc/36/24/22/599362422.db2.gz JTEBIHPJEHKHMT-NSHDSACASA-N -1 3 322.372 2.998 20 0 DFADHM CC(=O)Nc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819826568 599362426 /nfs/dbraw/zinc/36/24/26/599362426.db2.gz JTEBIHPJEHKHMT-NSHDSACASA-N -1 3 322.372 2.998 20 0 DFADHM C[C@@H](Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462331 599367042 /nfs/dbraw/zinc/36/70/42/599367042.db2.gz XTYRSENJHWZYMA-SECBINFHSA-N -1 3 322.328 2.887 20 0 DFADHM C[C@@H](Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462331 599367046 /nfs/dbraw/zinc/36/70/46/599367046.db2.gz XTYRSENJHWZYMA-SECBINFHSA-N -1 3 322.328 2.887 20 0 DFADHM C[C@H](Nc1ccc2c(c1)CC(=O)N2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461491 599377860 /nfs/dbraw/zinc/37/78/60/599377860.db2.gz KXMHSUVOJHZUPP-JTQLQIEISA-N -1 3 320.356 2.534 20 0 DFADHM C[C@H](Nc1ccc2c(c1)CC(=O)N2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461491 599377863 /nfs/dbraw/zinc/37/78/63/599377863.db2.gz KXMHSUVOJHZUPP-JTQLQIEISA-N -1 3 320.356 2.534 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736241302 599384253 /nfs/dbraw/zinc/38/42/53/599384253.db2.gz WWESWDUVKPNLBK-SCVCMEIPSA-N -1 3 317.418 2.721 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736241302 599384255 /nfs/dbraw/zinc/38/42/55/599384255.db2.gz WWESWDUVKPNLBK-SCVCMEIPSA-N -1 3 317.418 2.721 20 0 DFADHM CCCCCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821056428 599401816 /nfs/dbraw/zinc/40/18/16/599401816.db2.gz RGTVBLLMCDYIHK-LBPRGKRZSA-N -1 3 316.409 2.807 20 0 DFADHM CCCCCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821056428 599401817 /nfs/dbraw/zinc/40/18/17/599401817.db2.gz RGTVBLLMCDYIHK-LBPRGKRZSA-N -1 3 316.409 2.807 20 0 DFADHM CCC(CC)CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820892907 599436739 /nfs/dbraw/zinc/43/67/39/599436739.db2.gz GVGCLWOYIPWWFM-NSHDSACASA-N -1 3 316.409 2.663 20 0 DFADHM CCC(CC)CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820892907 599436742 /nfs/dbraw/zinc/43/67/42/599436742.db2.gz GVGCLWOYIPWWFM-NSHDSACASA-N -1 3 316.409 2.663 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccc(O)cc1 ZINC000821751915 607378911 /nfs/dbraw/zinc/37/89/11/607378911.db2.gz DXCZLCIHZDLOFQ-UHFFFAOYSA-N -1 3 314.370 2.873 20 0 DFADHM Cc1ccc(F)c(CNCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822239886 599459521 /nfs/dbraw/zinc/45/95/21/599459521.db2.gz JDWHSCMPDDAOPK-UHFFFAOYSA-N -1 3 315.327 2.743 20 0 DFADHM FC(F)(F)COCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822719000 599470143 /nfs/dbraw/zinc/47/01/43/599470143.db2.gz XJLBLHURKBMMMW-UHFFFAOYSA-N -1 3 321.690 2.511 20 0 DFADHM FC(F)(F)COCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822719000 599470145 /nfs/dbraw/zinc/47/01/45/599470145.db2.gz XJLBLHURKBMMMW-UHFFFAOYSA-N -1 3 321.690 2.511 20 0 DFADHM CN(Cc1ccncc1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821615592 599468837 /nfs/dbraw/zinc/46/88/37/599468837.db2.gz DPOJJYULCBURHK-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1ccncc1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821615592 599468840 /nfs/dbraw/zinc/46/88/40/599468840.db2.gz DPOJJYULCBURHK-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM Cc1cc([C@H]2CCCN2c2ccc(F)cc2-c2nnn[n-]2)no1 ZINC000822198779 599469687 /nfs/dbraw/zinc/46/96/87/599469687.db2.gz KDZCLJAQHQWKDV-CQSZACIVSA-N -1 3 314.324 2.644 20 0 DFADHM Cc1cc([C@H]2CCCN2c2ccc(F)cc2-c2nn[n-]n2)no1 ZINC000822198779 599469690 /nfs/dbraw/zinc/46/96/90/599469690.db2.gz KDZCLJAQHQWKDV-CQSZACIVSA-N -1 3 314.324 2.644 20 0 DFADHM COc1ncccc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821919970 599469792 /nfs/dbraw/zinc/46/97/92/599469792.db2.gz IKFOKQYKEMFPDU-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ncccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821919970 599469795 /nfs/dbraw/zinc/46/97/95/599469795.db2.gz IKFOKQYKEMFPDU-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncccc1-c1nnn[n-]1 ZINC000736234227 599472049 /nfs/dbraw/zinc/47/20/49/599472049.db2.gz IQFDTJDESPHJSF-DGCLKSJQSA-N -1 3 324.363 2.783 20 0 DFADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncccc1-c1nn[n-]n1 ZINC000736234227 599472051 /nfs/dbraw/zinc/47/20/51/599472051.db2.gz IQFDTJDESPHJSF-DGCLKSJQSA-N -1 3 324.363 2.783 20 0 DFADHM CC(C)[C@@H](C)CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820358860 599485826 /nfs/dbraw/zinc/48/58/26/599485826.db2.gz PSFKCGARESOQHH-NWDGAFQWSA-N -1 3 316.409 2.519 20 0 DFADHM CC(C)[C@@H](C)CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820358860 599485828 /nfs/dbraw/zinc/48/58/28/599485828.db2.gz PSFKCGARESOQHH-NWDGAFQWSA-N -1 3 316.409 2.519 20 0 DFADHM O[C@@H](CNc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000823689167 599489399 /nfs/dbraw/zinc/48/93/99/599489399.db2.gz CCNGHOXXKDJLKA-ZDUSSCGKSA-N -1 3 315.764 2.666 20 0 DFADHM O[C@@H](CNc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000823689167 599489402 /nfs/dbraw/zinc/48/94/02/599489402.db2.gz CCNGHOXXKDJLKA-ZDUSSCGKSA-N -1 3 315.764 2.666 20 0 DFADHM CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1nccs1 ZINC000736370871 599530227 /nfs/dbraw/zinc/53/02/27/599530227.db2.gz SLVMGLATILEETK-VIFPVBQESA-N -1 3 321.797 2.935 20 0 DFADHM CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nccs1 ZINC000736370871 599530229 /nfs/dbraw/zinc/53/02/29/599530229.db2.gz SLVMGLATILEETK-VIFPVBQESA-N -1 3 321.797 2.935 20 0 DFADHM CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1nccs1 ZINC000736370870 599530321 /nfs/dbraw/zinc/53/03/21/599530321.db2.gz SLVMGLATILEETK-SECBINFHSA-N -1 3 321.797 2.935 20 0 DFADHM CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nccs1 ZINC000736370870 599530322 /nfs/dbraw/zinc/53/03/22/599530322.db2.gz SLVMGLATILEETK-SECBINFHSA-N -1 3 321.797 2.935 20 0 DFADHM Cc1cccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000822284567 599545091 /nfs/dbraw/zinc/54/50/91/599545091.db2.gz VIFWXXLFPZKIDQ-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000822284567 599545093 /nfs/dbraw/zinc/54/50/93/599545093.db2.gz VIFWXXLFPZKIDQ-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736333771 599548028 /nfs/dbraw/zinc/54/80/28/599548028.db2.gz VAJYRNBDTCLTRD-PWSUYJOCSA-N -1 3 319.434 2.969 20 0 DFADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736333771 599548031 /nfs/dbraw/zinc/54/80/31/599548031.db2.gz VAJYRNBDTCLTRD-PWSUYJOCSA-N -1 3 319.434 2.969 20 0 DFADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736335590 599548382 /nfs/dbraw/zinc/54/83/82/599548382.db2.gz ZBYGBVLILKYCBW-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736335590 599548384 /nfs/dbraw/zinc/54/83/84/599548384.db2.gz ZBYGBVLILKYCBW-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000820709136 599549528 /nfs/dbraw/zinc/54/95/28/599549528.db2.gz DPLBMAIAEYZBOZ-MNOVXSKESA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000820709136 599549529 /nfs/dbraw/zinc/54/95/29/599549529.db2.gz DPLBMAIAEYZBOZ-MNOVXSKESA-N -1 3 300.366 2.519 20 0 DFADHM Fc1ccc(NCCc2cccc(F)c2F)c(-c2nnn[n-]2)c1 ZINC000822783203 599554311 /nfs/dbraw/zinc/55/43/11/599554311.db2.gz ZUNCRWOPSABGFG-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1ccc(NCCc2cccc(F)c2F)c(-c2nn[n-]n2)c1 ZINC000822783203 599554312 /nfs/dbraw/zinc/55/43/12/599554312.db2.gz ZUNCRWOPSABGFG-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1ccc(NCC2Cc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000822778652 599561993 /nfs/dbraw/zinc/56/19/93/599561993.db2.gz LNEALPXLHKNUBL-UHFFFAOYSA-N -1 3 309.348 2.833 20 0 DFADHM Fc1ccc(NCC2Cc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000822778652 599561998 /nfs/dbraw/zinc/56/19/98/599561998.db2.gz LNEALPXLHKNUBL-UHFFFAOYSA-N -1 3 309.348 2.833 20 0 DFADHM CC(C)(CO)CCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000819983899 599570315 /nfs/dbraw/zinc/57/03/15/599570315.db2.gz JQQMINGIFSWYFU-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CC(C)(CO)CCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000819983899 599570317 /nfs/dbraw/zinc/57/03/17/599570317.db2.gz JQQMINGIFSWYFU-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CS[C@@H]1CCCCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821956000 607385845 /nfs/dbraw/zinc/38/58/45/607385845.db2.gz DWBJZMDMJNZGDF-LLVKDONJSA-N -1 3 307.398 2.728 20 0 DFADHM CC[C@H](NCc1ccc(-c2nn[n-]n2)cc1)c1nccs1 ZINC000736372123 599598875 /nfs/dbraw/zinc/59/88/75/599598875.db2.gz VHGQKOZUWKYTHN-LBPRGKRZSA-N -1 3 300.391 2.564 20 0 DFADHM COc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826216946 607385944 /nfs/dbraw/zinc/38/59/44/607385944.db2.gz SRFWGXPTXACGSW-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826216946 607385945 /nfs/dbraw/zinc/38/59/45/607385945.db2.gz SRFWGXPTXACGSW-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM CC(C)(C)CCC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735603678 599606914 /nfs/dbraw/zinc/60/69/14/599606914.db2.gz NRASIJFDJHTATN-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM C[C@@H](OC(=O)[C@@H]1Cc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820488509 599622268 /nfs/dbraw/zinc/62/22/68/599622268.db2.gz OXICZEVZUJZVGP-BDJLRTHQSA-N -1 3 320.352 2.811 20 0 DFADHM C[C@@H](OC(=O)[C@@H]1Cc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820488509 599622269 /nfs/dbraw/zinc/62/22/69/599622269.db2.gz OXICZEVZUJZVGP-BDJLRTHQSA-N -1 3 320.352 2.811 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822227535 599622982 /nfs/dbraw/zinc/62/29/82/599622982.db2.gz MLBPMRNEBYFITK-LLVKDONJSA-N -1 3 312.329 2.615 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822227535 599622983 /nfs/dbraw/zinc/62/29/83/599622983.db2.gz MLBPMRNEBYFITK-LLVKDONJSA-N -1 3 312.329 2.615 20 0 DFADHM C[C@H]1C[C@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000820650063 599625314 /nfs/dbraw/zinc/62/53/14/599625314.db2.gz QXDQACXHPQOQLT-YABSGUDNSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@H]1C[C@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000820650063 599625315 /nfs/dbraw/zinc/62/53/15/599625315.db2.gz QXDQACXHPQOQLT-YABSGUDNSA-N -1 3 300.362 2.848 20 0 DFADHM CC=CC=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820833160 599632883 /nfs/dbraw/zinc/63/28/83/599632883.db2.gz SJTRMHFSSODJKU-MQQKCMAXSA-N -1 3 323.278 2.956 20 0 DFADHM CC=CC=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820833160 599632884 /nfs/dbraw/zinc/63/28/84/599632884.db2.gz SJTRMHFSSODJKU-MQQKCMAXSA-N -1 3 323.278 2.956 20 0 DFADHM CC(C)C[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820067485 599646647 /nfs/dbraw/zinc/64/66/47/599646647.db2.gz JJXVORASXYYOCR-GFCCVEGCSA-N -1 3 314.393 2.767 20 0 DFADHM CC(C)C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820067485 599646648 /nfs/dbraw/zinc/64/66/48/599646648.db2.gz JJXVORASXYYOCR-GFCCVEGCSA-N -1 3 314.393 2.767 20 0 DFADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820966933 599647964 /nfs/dbraw/zinc/64/79/64/599647964.db2.gz IXUWRHXQSPNFMG-MFKMUULPSA-N -1 3 300.366 2.519 20 0 DFADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820966933 599647965 /nfs/dbraw/zinc/64/79/65/599647965.db2.gz IXUWRHXQSPNFMG-MFKMUULPSA-N -1 3 300.366 2.519 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CC(C)(C)CC ZINC000821389763 599684387 /nfs/dbraw/zinc/68/43/87/599684387.db2.gz PVRHBFYTBKKQQK-UHFFFAOYSA-N -1 3 318.377 2.997 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CC(C)(C)CC ZINC000821389763 599684388 /nfs/dbraw/zinc/68/43/88/599684388.db2.gz PVRHBFYTBKKQQK-UHFFFAOYSA-N -1 3 318.377 2.997 20 0 DFADHM OCCC1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CCCC1 ZINC000823717273 599687913 /nfs/dbraw/zinc/68/79/13/599687913.db2.gz CQZIJIINKYNWRJ-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM OCCC1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CCCC1 ZINC000823717273 599687914 /nfs/dbraw/zinc/68/79/14/599687914.db2.gz CQZIJIINKYNWRJ-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCN(C2CCCC2)CC1 ZINC000739518568 599711171 /nfs/dbraw/zinc/71/11/71/599711171.db2.gz UOEVEYYNLBHNGP-INIZCTEOSA-N -1 3 306.381 2.512 20 0 DFADHM CC(C)C[C@H](NC(=O)CN(C)CCC1CCCCC1)C(=O)[O-] ZINC000736412645 599719622 /nfs/dbraw/zinc/71/96/22/599719622.db2.gz OTMXLAGJYKSOCS-HNNXBMFYSA-N -1 3 312.454 2.504 20 0 DFADHM CCCN1CCC[C@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737031093 599771849 /nfs/dbraw/zinc/77/18/49/599771849.db2.gz YDJRACNVJPQZBV-HNNXBMFYSA-N -1 3 304.390 2.517 20 0 DFADHM Cc1c(NC(=O)c2ccc(C(C)C)nc2)cccc1-c1nnn[n-]1 ZINC000822108387 607395352 /nfs/dbraw/zinc/39/53/52/607395352.db2.gz IQXFBYFRQARETA-UHFFFAOYSA-N -1 3 322.372 2.946 20 0 DFADHM Cc1c(NC(=O)c2ccc(C(C)C)nc2)cccc1-c1nn[n-]n1 ZINC000822108387 607395355 /nfs/dbraw/zinc/39/53/55/607395355.db2.gz IQXFBYFRQARETA-UHFFFAOYSA-N -1 3 322.372 2.946 20 0 DFADHM CCCCC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821040681 607400689 /nfs/dbraw/zinc/40/06/89/607400689.db2.gz PFUBZCDXJQJNKJ-UHFFFAOYSA-N -1 3 303.366 2.783 20 0 DFADHM CCCCC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821040681 607400691 /nfs/dbraw/zinc/40/06/91/607400691.db2.gz PFUBZCDXJQJNKJ-UHFFFAOYSA-N -1 3 303.366 2.783 20 0 DFADHM COc1ccc([C@@H](NCc2ccc(OC)c(F)c2)C(=O)[O-])cc1 ZINC000737970620 599861857 /nfs/dbraw/zinc/86/18/57/599861857.db2.gz NCRXZYSMIUZMNC-MRXNPFEDSA-N -1 3 319.332 2.758 20 0 DFADHM CCC/C(C)=C\C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825231901 607422253 /nfs/dbraw/zinc/42/22/53/607422253.db2.gz CAQQUXBACJVKPQ-BENRWUELSA-N -1 3 311.389 2.718 20 0 DFADHM CCC/C(C)=C\C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825231901 607422254 /nfs/dbraw/zinc/42/22/54/607422254.db2.gz CAQQUXBACJVKPQ-BENRWUELSA-N -1 3 311.389 2.718 20 0 DFADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@H](C)C(C)C ZINC000825379974 607431754 /nfs/dbraw/zinc/43/17/54/607431754.db2.gz NDDOJQGWZSJRQO-GFCCVEGCSA-N -1 3 301.394 2.682 20 0 DFADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@H](C)C(C)C ZINC000825379974 607431755 /nfs/dbraw/zinc/43/17/55/607431755.db2.gz NDDOJQGWZSJRQO-GFCCVEGCSA-N -1 3 301.394 2.682 20 0 DFADHM CC(C)[C@H]1CCCCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736395525 600319777 /nfs/dbraw/zinc/31/97/77/600319777.db2.gz OJMHQLOWDANRDX-OAHLLOKOSA-N -1 3 304.390 2.834 20 0 DFADHM CCC[C@](C)(NCc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[O-] ZINC000736958834 600321289 /nfs/dbraw/zinc/32/12/89/600321289.db2.gz KKAGWUOHOWFDKN-HNNXBMFYSA-N -1 3 323.780 2.722 20 0 DFADHM CC(C)C[C@H](NC(=O)CN1CCCC2(CCCCC2)C1)C(=O)[O-] ZINC000736412359 600338021 /nfs/dbraw/zinc/33/80/21/600338021.db2.gz MSFYIHCDGHINCM-HNNXBMFYSA-N -1 3 324.465 2.648 20 0 DFADHM COC(=O)c1sc2ccccc2c1CN(C)C[C@@H](C)C(=O)[O-] ZINC000737719124 600368004 /nfs/dbraw/zinc/36/80/04/600368004.db2.gz LUARYTLSLFFASD-SNVBAGLBSA-N -1 3 321.398 2.840 20 0 DFADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000824040452 607439599 /nfs/dbraw/zinc/43/95/99/607439599.db2.gz QFZQOEYMWTUSKF-JTQLQIEISA-N -1 3 313.386 2.695 20 0 DFADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000824040452 607439600 /nfs/dbraw/zinc/43/96/00/607439600.db2.gz QFZQOEYMWTUSKF-JTQLQIEISA-N -1 3 313.386 2.695 20 0 DFADHM CCc1oc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825776388 607439823 /nfs/dbraw/zinc/43/98/23/607439823.db2.gz HOCKVMKGSOYGLZ-UHFFFAOYSA-N -1 3 311.345 2.607 20 0 DFADHM CCc1oc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825776388 607439825 /nfs/dbraw/zinc/43/98/25/607439825.db2.gz HOCKVMKGSOYGLZ-UHFFFAOYSA-N -1 3 311.345 2.607 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)N1CCCCCC1 ZINC000736214378 600409423 /nfs/dbraw/zinc/40/94/23/600409423.db2.gz DTRQEINWNLDUAL-AWEZNQCLSA-N -1 3 318.417 2.907 20 0 DFADHM O=C([O-])[C@H](NCc1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000739500648 600416784 /nfs/dbraw/zinc/41/67/84/600416784.db2.gz RFSXHEMMFCBVLO-OAHLLOKOSA-N -1 3 319.744 2.984 20 0 DFADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)C(C)(C)C ZINC000825301870 607443282 /nfs/dbraw/zinc/44/32/82/607443282.db2.gz RBBNPZVYJKELLR-UHFFFAOYSA-N -1 3 301.394 2.826 20 0 DFADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)C(C)(C)C ZINC000825301870 607443284 /nfs/dbraw/zinc/44/32/84/607443284.db2.gz RBBNPZVYJKELLR-UHFFFAOYSA-N -1 3 301.394 2.826 20 0 DFADHM CC[C@H]1CCCCCN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000736942211 600574323 /nfs/dbraw/zinc/57/43/23/600574323.db2.gz RTAPTNHRIBUBEL-AWEZNQCLSA-N -1 3 310.438 2.545 20 0 DFADHM CC1CCC(N2CCN(Cc3cc(C(=O)[O-])co3)CC2)CC1 ZINC000736769320 600631003 /nfs/dbraw/zinc/63/10/03/600631003.db2.gz VCHCYAHHSZXMSD-UHFFFAOYSA-N -1 3 306.406 2.674 20 0 DFADHM CN(CC1CCCC1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830713989 600821084 /nfs/dbraw/zinc/82/10/84/600821084.db2.gz LXTOTXFIXUSCBU-ZDUSSCGKSA-N -1 3 322.430 2.674 20 0 DFADHM CN(C)Cc1cccc(C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000830620012 600879502 /nfs/dbraw/zinc/87/95/02/600879502.db2.gz NBUVJBPJSHFFQP-UHFFFAOYSA-N -1 3 318.417 2.656 20 0 DFADHM CCCN1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000737030249 600932334 /nfs/dbraw/zinc/93/23/34/600932334.db2.gz OSFVHXFSCPRYHJ-HNNXBMFYSA-N -1 3 318.417 2.862 20 0 DFADHM CCSCCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000737231531 600951783 /nfs/dbraw/zinc/95/17/83/600951783.db2.gz NTAFQPAFFAJEDO-ZDUSSCGKSA-N -1 3 308.447 2.648 20 0 DFADHM CC(C)n1cnnc1[C@@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000827200579 601000865 /nfs/dbraw/zinc/00/08/65/601000865.db2.gz GQHWLJFLSAOFJO-GFCCVEGCSA-N -1 3 318.377 2.530 20 0 DFADHM C[C@@H]1CC[C@H](C)N(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000828214376 601049902 /nfs/dbraw/zinc/04/99/02/601049902.db2.gz LRHNIARDSNHJCD-OLZOCXBDSA-N -1 3 319.405 2.513 20 0 DFADHM CC(C)Oc1ncccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000820178400 607491991 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c1coc(CN(Cc2ccco2)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000823816307 606035961 /nfs/dbraw/zinc/03/59/61/606035961.db2.gz SSWMFCSDHNAIAM-UHFFFAOYSA-N -1 3 322.328 2.655 20 0 DFADHM CN(Cc1nccs1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821617988 606044611 /nfs/dbraw/zinc/04/46/11/606044611.db2.gz KUXZJIWLVPXNPY-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CN(Cc1nccs1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821617988 606044617 /nfs/dbraw/zinc/04/46/17/606044617.db2.gz KUXZJIWLVPXNPY-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM Clc1ccc(CCNc2ccc(-c3nnn[n-]3)nc2)s1 ZINC000822573809 606047233 /nfs/dbraw/zinc/04/72/33/606047233.db2.gz JHOLKGBOTNXBHL-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Clc1ccc(CCNc2ccc(-c3nn[n-]n3)nc2)s1 ZINC000822573809 606047238 /nfs/dbraw/zinc/04/72/38/606047238.db2.gz JHOLKGBOTNXBHL-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1c(F)cccc1F ZINC000820455043 606049435 /nfs/dbraw/zinc/04/94/35/606049435.db2.gz BLVFDHJWBARGFB-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1c(F)cccc1F ZINC000820455043 606049439 /nfs/dbraw/zinc/04/94/39/606049439.db2.gz BLVFDHJWBARGFB-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM Fc1cccc(C[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822787083 606051188 /nfs/dbraw/zinc/05/11/88/606051188.db2.gz UXOKZTONWKIGSH-CQSZACIVSA-N -1 3 324.363 2.612 20 0 DFADHM Fc1cccc(C[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822787083 606051192 /nfs/dbraw/zinc/05/11/92/606051192.db2.gz UXOKZTONWKIGSH-CQSZACIVSA-N -1 3 324.363 2.612 20 0 DFADHM CC(C)COc1ccccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000820102572 606053062 /nfs/dbraw/zinc/05/30/62/606053062.db2.gz BRTVYIVOIQVLIK-UHFFFAOYSA-N -1 3 324.388 2.909 20 0 DFADHM CC(C)COc1ccccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000820102572 606053068 /nfs/dbraw/zinc/05/30/68/606053068.db2.gz BRTVYIVOIQVLIK-UHFFFAOYSA-N -1 3 324.388 2.909 20 0 DFADHM Cc1noc(C)c1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822523722 606059479 /nfs/dbraw/zinc/05/94/79/606059479.db2.gz SHPCYLVCYPYVRN-UHFFFAOYSA-N -1 3 321.344 2.632 20 0 DFADHM Cc1noc(C)c1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822523722 606059483 /nfs/dbraw/zinc/05/94/83/606059483.db2.gz SHPCYLVCYPYVRN-UHFFFAOYSA-N -1 3 321.344 2.632 20 0 DFADHM CO[C@@]1(C)C[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000821678866 606061868 /nfs/dbraw/zinc/06/18/68/606061868.db2.gz TZAWVSJKOUKLRN-WBMJQRKESA-N -1 3 319.384 2.646 20 0 DFADHM CO[C@@]1(C)C[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000821678866 606061874 /nfs/dbraw/zinc/06/18/74/606061874.db2.gz TZAWVSJKOUKLRN-WBMJQRKESA-N -1 3 319.384 2.646 20 0 DFADHM c1oc(-c2ccccc2)nc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000823767677 606094003 /nfs/dbraw/zinc/09/40/03/606094003.db2.gz VMXNPWRXADYNSG-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM c1oc(-c2ccccc2)nc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000823767677 606094006 /nfs/dbraw/zinc/09/40/06/606094006.db2.gz VMXNPWRXADYNSG-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM Cc1cnc([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)s1 ZINC000822389054 606103827 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C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC000819857981 606125899 /nfs/dbraw/zinc/12/58/99/606125899.db2.gz XDRDPXVRCZCXBR-JTQLQIEISA-N -1 3 317.368 2.795 20 0 DFADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC000819857981 606125900 /nfs/dbraw/zinc/12/59/00/606125900.db2.gz XDRDPXVRCZCXBR-JTQLQIEISA-N -1 3 317.368 2.795 20 0 DFADHM CCc1cnc(CN(C)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000821496176 606164104 /nfs/dbraw/zinc/16/41/04/606164104.db2.gz DUTQSAWPBUXAEG-UHFFFAOYSA-N -1 3 318.381 2.661 20 0 DFADHM CCc1cnc(CN(C)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC000821496176 606164105 /nfs/dbraw/zinc/16/41/05/606164105.db2.gz DUTQSAWPBUXAEG-UHFFFAOYSA-N -1 3 318.381 2.661 20 0 DFADHM c1cc(-c2nnn[n-]2)ncc1N1CCSC2(CCCCC2)C1 ZINC000823748421 606201065 /nfs/dbraw/zinc/20/10/65/606201065.db2.gz WPBWNGDQPHEAIV-UHFFFAOYSA-N -1 3 316.434 2.518 20 0 DFADHM c1cc(-c2nn[n-]n2)ncc1N1CCSC2(CCCCC2)C1 ZINC000823748421 606201067 /nfs/dbraw/zinc/20/10/67/606201067.db2.gz WPBWNGDQPHEAIV-UHFFFAOYSA-N -1 3 316.434 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606420197 /nfs/dbraw/zinc/42/01/97/606420197.db2.gz NWYNQEVERDLINN-UHFFFAOYSA-N -1 3 301.375 2.939 20 0 DFADHM COc1ccc(F)cc1CNc1cc(-c2nnn[n-]2)ccc1C ZINC000821828587 606452235 /nfs/dbraw/zinc/45/22/35/606452235.db2.gz ZDKRAKZAVPDPKE-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(F)cc1CNc1cc(-c2nn[n-]n2)ccc1C ZINC000821828587 606452237 /nfs/dbraw/zinc/45/22/37/606452237.db2.gz ZDKRAKZAVPDPKE-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cccc(F)c1F ZINC000822761171 606452646 /nfs/dbraw/zinc/45/26/46/606452646.db2.gz ARHIWFGDOMRWMY-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cccc(F)c1F ZINC000822761171 606452647 /nfs/dbraw/zinc/45/26/47/606452647.db2.gz ARHIWFGDOMRWMY-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM O=C(Oc1cccc(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823454695 606462225 /nfs/dbraw/zinc/46/22/25/606462225.db2.gz RCCGSNJRSOYBCG-UHFFFAOYSA-N -1 3 306.734 2.801 20 0 DFADHM O=C(Oc1cccc(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823454695 606462228 /nfs/dbraw/zinc/46/22/28/606462228.db2.gz RCCGSNJRSOYBCG-UHFFFAOYSA-N -1 3 306.734 2.801 20 0 DFADHM C[C@H](Cc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820298809 606464358 /nfs/dbraw/zinc/46/43/58/606464358.db2.gz APEOQTQVSLEFKZ-SNVBAGLBSA-N -1 3 314.370 2.716 20 0 DFADHM C[C@H](Cc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820298809 606464359 /nfs/dbraw/zinc/46/43/59/606464359.db2.gz APEOQTQVSLEFKZ-SNVBAGLBSA-N -1 3 314.370 2.716 20 0 DFADHM Fc1ccc(-c2noc(-c3cc(-c4nnn[n-]4)cs3)n2)cc1 ZINC000822761923 606470883 /nfs/dbraw/zinc/47/08/83/606470883.db2.gz WETKZXGBEWAYJZ-UHFFFAOYSA-N -1 3 314.305 2.784 20 0 DFADHM Fc1ccc(-c2noc(-c3cc(-c4nn[n-]n4)cs3)n2)cc1 ZINC000822761923 606470885 /nfs/dbraw/zinc/47/08/85/606470885.db2.gz WETKZXGBEWAYJZ-UHFFFAOYSA-N -1 3 314.305 2.784 20 0 DFADHM CCOc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821437118 606477054 /nfs/dbraw/zinc/47/70/54/606477054.db2.gz JERDPTBCWUWMSN-UHFFFAOYSA-N -1 3 315.358 2.579 20 0 DFADHM CCOc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821437118 606477056 /nfs/dbraw/zinc/47/70/56/606477056.db2.gz JERDPTBCWUWMSN-UHFFFAOYSA-N -1 3 315.358 2.579 20 0 DFADHM c1ccc2c(c1)CCS[C@H]2CNc1ncccc1-c1nnn[n-]1 ZINC000823796726 606477986 /nfs/dbraw/zinc/47/79/86/606477986.db2.gz FHNXTPCJIWOMHO-AWEZNQCLSA-N -1 3 324.413 2.704 20 0 DFADHM c1ccc2c(c1)CCS[C@H]2CNc1ncccc1-c1nn[n-]n1 ZINC000823796726 606477988 /nfs/dbraw/zinc/47/79/88/606477988.db2.gz FHNXTPCJIWOMHO-AWEZNQCLSA-N -1 3 324.413 2.704 20 0 DFADHM Cc1ccc(F)c(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822240094 606478654 /nfs/dbraw/zinc/47/86/54/606478654.db2.gz RVERGRLAFZZONB-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1ccc(F)c(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822240094 606478656 /nfs/dbraw/zinc/47/86/56/606478656.db2.gz RVERGRLAFZZONB-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM C[C@@H]1CCC[C@H](OC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820696504 606488693 /nfs/dbraw/zinc/48/86/93/606488693.db2.gz ACHJEWWLDAUIAZ-RISCZKNCSA-N -1 3 300.362 2.531 20 0 DFADHM C[C@@H]1CCC[C@H](OC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820696504 606488694 /nfs/dbraw/zinc/48/86/94/606488694.db2.gz ACHJEWWLDAUIAZ-RISCZKNCSA-N -1 3 300.362 2.531 20 0 DFADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1F ZINC000821153407 606490576 /nfs/dbraw/zinc/49/05/76/606490576.db2.gz AZROPEBIGHVTIY-UHFFFAOYSA-N -1 3 317.349 2.734 20 0 DFADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1F ZINC000821153407 606490577 /nfs/dbraw/zinc/49/05/77/606490577.db2.gz AZROPEBIGHVTIY-UHFFFAOYSA-N -1 3 317.349 2.734 20 0 DFADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820697901 606490858 /nfs/dbraw/zinc/49/08/58/606490858.db2.gz NRCKWGOMUULMPF-ONGXEEELSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820697901 606490859 /nfs/dbraw/zinc/49/08/59/606490859.db2.gz NRCKWGOMUULMPF-ONGXEEELSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@H]1CCC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820698312 606492005 /nfs/dbraw/zinc/49/20/05/606492005.db2.gz SQYUTTBLCMYVAX-ONGXEEELSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@H]1CCC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820698312 606492006 /nfs/dbraw/zinc/49/20/06/606492006.db2.gz SQYUTTBLCMYVAX-ONGXEEELSA-N -1 3 305.407 2.579 20 0 DFADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821035052 606519263 /nfs/dbraw/zinc/51/92/63/606519263.db2.gz ZUSGCZQZGJIGKJ-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821035052 606519265 /nfs/dbraw/zinc/51/92/65/606519265.db2.gz ZUSGCZQZGJIGKJ-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc(-c2nnn[n-]2)cs1 ZINC000823146874 606519685 /nfs/dbraw/zinc/51/96/85/606519685.db2.gz ZFUBXAVNRKUBSO-JBLDHEPKSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc(-c2nn[n-]n2)cs1 ZINC000823146874 606519688 /nfs/dbraw/zinc/51/96/88/606519688.db2.gz ZFUBXAVNRKUBSO-JBLDHEPKSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(-c2nnn[n-]2)cs1 ZINC000823146872 606520100 /nfs/dbraw/zinc/52/01/00/606520100.db2.gz ZFUBXAVNRKUBSO-CKYFFXLPSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(-c2nn[n-]n2)cs1 ZINC000823146872 606520102 /nfs/dbraw/zinc/52/01/02/606520102.db2.gz ZFUBXAVNRKUBSO-CKYFFXLPSA-N -1 3 317.418 2.627 20 0 DFADHM Cc1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)oc1C ZINC000822444397 606597300 /nfs/dbraw/zinc/59/73/00/606597300.db2.gz OVDMEGPZJGSYSG-UHFFFAOYSA-N -1 3 304.741 2.737 20 0 DFADHM Cc1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)oc1C ZINC000822444397 606597302 /nfs/dbraw/zinc/59/73/02/606597302.db2.gz OVDMEGPZJGSYSG-UHFFFAOYSA-N -1 3 304.741 2.737 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1c(C)noc1C ZINC000821309583 606599853 /nfs/dbraw/zinc/59/98/53/606599853.db2.gz PDZKFQORZKFXGY-UHFFFAOYSA-N -1 3 313.365 2.515 20 0 DFADHM CC1(CNc2nc3ccccc3cc2-c2nnn[n-]2)CCOCC1 ZINC000820623224 606608849 /nfs/dbraw/zinc/60/88/49/606608849.db2.gz IPXDQIJGCVCLQU-UHFFFAOYSA-N -1 3 324.388 2.644 20 0 DFADHM CC1(CNc2nc3ccccc3cc2-c2nn[n-]n2)CCOCC1 ZINC000820623224 606608850 /nfs/dbraw/zinc/60/88/50/606608850.db2.gz IPXDQIJGCVCLQU-UHFFFAOYSA-N -1 3 324.388 2.644 20 0 DFADHM CO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C1(C)C ZINC000821678604 606609499 /nfs/dbraw/zinc/60/94/99/606609499.db2.gz PYGAMIDCMMADDT-KGLIPLIRSA-N -1 3 324.388 2.640 20 0 DFADHM CO[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C1(C)C ZINC000821678604 606609500 /nfs/dbraw/zinc/60/95/00/606609500.db2.gz PYGAMIDCMMADDT-KGLIPLIRSA-N -1 3 324.388 2.640 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820676015 606619283 /nfs/dbraw/zinc/61/92/83/606619283.db2.gz LIGDGDYBNKSSCA-LQELWAHVSA-N -1 3 311.389 2.572 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820676015 606619285 /nfs/dbraw/zinc/61/92/85/606619285.db2.gz LIGDGDYBNKSSCA-LQELWAHVSA-N -1 3 311.389 2.572 20 0 DFADHM C[C@H]1CCC(=CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820674003 606620433 /nfs/dbraw/zinc/62/04/33/606620433.db2.gz AMFLZIYGKOLSIV-CBFJXKFUSA-N -1 3 301.325 2.691 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820674003 606620435 /nfs/dbraw/zinc/62/04/35/606620435.db2.gz AMFLZIYGKOLSIV-CBFJXKFUSA-N -1 3 301.325 2.691 20 0 DFADHM Cc1nc2c(c(Oc3ccc(-c4nnn[n-]4)cc3)n1)CCCC2 ZINC000822459538 606626162 /nfs/dbraw/zinc/62/61/62/606626162.db2.gz RDIZBXVOYQKYHU-UHFFFAOYSA-N -1 3 308.345 2.636 20 0 DFADHM Cc1nc2c(c(Oc3ccc(-c4nn[n-]n4)cc3)n1)CCCC2 ZINC000822459538 606626164 /nfs/dbraw/zinc/62/61/64/606626164.db2.gz RDIZBXVOYQKYHU-UHFFFAOYSA-N -1 3 308.345 2.636 20 0 DFADHM Cc1cnc([C@@H](C)NCc2ccc(-c3nnn[n-]3)s2)s1 ZINC000822389070 606628531 /nfs/dbraw/zinc/62/85/31/606628531.db2.gz KHFDXGHESQNDEH-MRVPVSSYSA-N -1 3 306.420 2.544 20 0 DFADHM Cc1cnc([C@@H](C)NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC000822389070 606628534 /nfs/dbraw/zinc/62/85/34/606628534.db2.gz KHFDXGHESQNDEH-MRVPVSSYSA-N -1 3 306.420 2.544 20 0 DFADHM Fc1cc(F)c(NCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822753961 606656755 /nfs/dbraw/zinc/65/67/55/606656755.db2.gz UDIHAGWJPHZUAD-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cc(F)c(NCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822753961 606656756 /nfs/dbraw/zinc/65/67/56/606656756.db2.gz UDIHAGWJPHZUAD-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM O=C(Nc1cccc2ccncc21)c1sccc1-c1nnn[n-]1 ZINC000823367639 606692883 /nfs/dbraw/zinc/69/28/83/606692883.db2.gz MMVIWKVIWPEPQH-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1cccc2ccncc21)c1sccc1-c1nn[n-]n1 ZINC000823367639 606692884 /nfs/dbraw/zinc/69/28/84/606692884.db2.gz MMVIWKVIWPEPQH-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM CC(C)[C@H]1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820037754 606694548 /nfs/dbraw/zinc/69/45/48/606694548.db2.gz HDMXDWJVGMTLTA-NSHDSACASA-N -1 3 316.434 2.541 20 0 DFADHM CC(C)[C@H]1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820037754 606694549 /nfs/dbraw/zinc/69/45/49/606694549.db2.gz HDMXDWJVGMTLTA-NSHDSACASA-N -1 3 316.434 2.541 20 0 DFADHM CC(C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820038270 606697114 /nfs/dbraw/zinc/69/71/14/606697114.db2.gz MEEPVDAEOAGNES-SNVBAGLBSA-N -1 3 318.356 2.516 20 0 DFADHM CC(C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820038270 606697115 /nfs/dbraw/zinc/69/71/15/606697115.db2.gz MEEPVDAEOAGNES-SNVBAGLBSA-N -1 3 318.356 2.516 20 0 DFADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SC[C@@H](C)CC)n1 ZINC000821342786 606703825 /nfs/dbraw/zinc/70/38/25/606703825.db2.gz HCJZWBFDVJZWQR-VIFPVBQESA-N -1 3 321.406 2.577 20 0 DFADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SC[C@@H](C)CC)n1 ZINC000821342786 606703826 /nfs/dbraw/zinc/70/38/26/606703826.db2.gz HCJZWBFDVJZWQR-VIFPVBQESA-N -1 3 321.406 2.577 20 0 DFADHM COCCCCSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000821687258 606704608 /nfs/dbraw/zinc/70/46/08/606704608.db2.gz VZGWARJQLWMEEP-UHFFFAOYSA-N -1 3 319.434 2.578 20 0 DFADHM COCCCCSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC000821687258 606704610 /nfs/dbraw/zinc/70/46/10/606704610.db2.gz VZGWARJQLWMEEP-UHFFFAOYSA-N -1 3 319.434 2.578 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000822736354 606727661 /nfs/dbraw/zinc/72/76/61/606727661.db2.gz DKUWOJUVCBYDNN-ZWKOPEQDSA-N -1 3 321.331 2.514 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000822736354 606727662 /nfs/dbraw/zinc/72/76/62/606727662.db2.gz DKUWOJUVCBYDNN-ZWKOPEQDSA-N -1 3 321.331 2.514 20 0 DFADHM Clc1cc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)ccc1-c1nnn[n-]1 ZINC000822567947 606729084 /nfs/dbraw/zinc/72/90/84/606729084.db2.gz JIZSTTCQNGEUTQ-BNOWGMLFSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1cc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)ccc1-c1nn[n-]n1 ZINC000822567947 606729085 /nfs/dbraw/zinc/72/90/85/606729085.db2.gz JIZSTTCQNGEUTQ-BNOWGMLFSA-N -1 3 319.796 2.890 20 0 DFADHM CCC1(CNC(=O)c2sccc2-c2nnn[n-]2)CCCC1 ZINC000820962391 606743786 /nfs/dbraw/zinc/74/37/86/606743786.db2.gz PMNRVGJMISIDDF-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM CCC1(CNC(=O)c2sccc2-c2nn[n-]n2)CCCC1 ZINC000820962391 606743787 /nfs/dbraw/zinc/74/37/87/606743787.db2.gz PMNRVGJMISIDDF-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820981501 606764649 /nfs/dbraw/zinc/76/46/49/606764649.db2.gz RZHAKSBWPRGEBB-ZYHUDNBSSA-N -1 3 316.434 2.732 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820981501 606764650 /nfs/dbraw/zinc/76/46/50/606764650.db2.gz RZHAKSBWPRGEBB-ZYHUDNBSSA-N -1 3 316.434 2.732 20 0 DFADHM CC[C@@H](C)CS[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820870801 606795982 /nfs/dbraw/zinc/79/59/82/606795982.db2.gz ZTLQVEXFCVLOHB-GHMZBOCLSA-N -1 3 319.434 2.973 20 0 DFADHM CC[C@@H](C)CS[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820870801 606795984 /nfs/dbraw/zinc/79/59/84/606795984.db2.gz ZTLQVEXFCVLOHB-GHMZBOCLSA-N -1 3 319.434 2.973 20 0 DFADHM CSc1cc(C)ccc1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000821979392 606801099 /nfs/dbraw/zinc/80/10/99/606801099.db2.gz RPBLNMKNGPOZIV-UHFFFAOYSA-N -1 3 312.402 2.904 20 0 DFADHM CSc1cc(C)ccc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000821979392 606801100 /nfs/dbraw/zinc/80/11/00/606801100.db2.gz RPBLNMKNGPOZIV-UHFFFAOYSA-N -1 3 312.402 2.904 20 0 DFADHM COCC[C@@H](C)SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821685886 606841011 /nfs/dbraw/zinc/84/10/11/606841011.db2.gz UEBLWVZBZQJPRI-GFCCVEGCSA-N -1 3 322.434 2.794 20 0 DFADHM COCC[C@@H](C)SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821685886 606841013 /nfs/dbraw/zinc/84/10/13/606841013.db2.gz UEBLWVZBZQJPRI-GFCCVEGCSA-N -1 3 322.434 2.794 20 0 DFADHM CCc1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)no1 ZINC000821509667 606853577 /nfs/dbraw/zinc/85/35/77/606853577.db2.gz KWYJSTSUNZMUJB-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM CCc1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)no1 ZINC000821509667 606853578 /nfs/dbraw/zinc/85/35/78/606853578.db2.gz KWYJSTSUNZMUJB-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM C[C@H](NC(=O)N1[C@H](C)CC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342612 606863529 /nfs/dbraw/zinc/86/35/29/606863529.db2.gz WHWJKVVTTNORJN-TUAOUCFPSA-N -1 3 314.393 2.510 20 0 DFADHM C[C@H](NC(=O)N1[C@H](C)CC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342612 606863530 /nfs/dbraw/zinc/86/35/30/606863530.db2.gz WHWJKVVTTNORJN-TUAOUCFPSA-N -1 3 314.393 2.510 20 0 DFADHM C[C@H]1CC[C@H](C)N1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820684518 606879185 /nfs/dbraw/zinc/87/91/85/606879185.db2.gz QUOOYOXIOXAOKL-YUMQZZPRSA-N -1 3 312.299 2.658 20 0 DFADHM C[C@H]1CC[C@H](C)N1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820684518 606879187 /nfs/dbraw/zinc/87/91/87/606879187.db2.gz QUOOYOXIOXAOKL-YUMQZZPRSA-N -1 3 312.299 2.658 20 0 DFADHM CC(C)C[C@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820061885 606880300 /nfs/dbraw/zinc/88/03/00/606880300.db2.gz GWWJGBCJCXEAIZ-OAHLLOKOSA-N -1 3 313.405 2.908 20 0 DFADHM CC(C)C[C@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820061885 606880298 /nfs/dbraw/zinc/88/02/98/606880298.db2.gz GWWJGBCJCXEAIZ-OAHLLOKOSA-N -1 3 313.405 2.908 20 0 DFADHM CCc1nnc(Nc2ccc(F)cc2)c(-c2nnn[n-]2)c1CC ZINC000821548016 606916035 /nfs/dbraw/zinc/91/60/35/606916035.db2.gz GGEWVBAEPLWLIS-UHFFFAOYSA-N -1 3 313.340 2.664 20 0 DFADHM CCc1nnc(Nc2ccc(F)cc2)c(-c2nn[n-]n2)c1CC ZINC000821548016 606916036 /nfs/dbraw/zinc/91/60/36/606916036.db2.gz GGEWVBAEPLWLIS-UHFFFAOYSA-N -1 3 313.340 2.664 20 0 DFADHM CCc1nnc(SCc2ccco2)c(-c2nnn[n-]2)c1CC ZINC000821548649 606916676 /nfs/dbraw/zinc/91/66/76/606916676.db2.gz SAXRXOMPCCLWFL-UHFFFAOYSA-N -1 3 316.390 2.667 20 0 DFADHM CCc1nnc(SCc2ccco2)c(-c2nn[n-]n2)c1CC ZINC000821548649 606916678 /nfs/dbraw/zinc/91/66/78/606916678.db2.gz SAXRXOMPCCLWFL-UHFFFAOYSA-N -1 3 316.390 2.667 20 0 DFADHM COC[C@@H](C)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821681963 606924426 /nfs/dbraw/zinc/92/44/26/606924426.db2.gz WZIPSEINMJVYDA-QMMMGPOBSA-N -1 3 315.299 2.580 20 0 DFADHM COC[C@@H](C)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821681963 606924428 /nfs/dbraw/zinc/92/44/28/606924428.db2.gz WZIPSEINMJVYDA-QMMMGPOBSA-N -1 3 315.299 2.580 20 0 DFADHM CCCC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821040337 606924653 /nfs/dbraw/zinc/92/46/53/606924653.db2.gz KFVKJCDSDDURQH-VXGBXAGGSA-N -1 3 318.377 2.756 20 0 DFADHM C[C@]1(CNc2c(F)cc(-c3nnn[n-]3)cc2F)CCCS1 ZINC000820623458 606946261 /nfs/dbraw/zinc/94/62/61/606946261.db2.gz QZZBJLDSQBYZAL-CYBMUJFWSA-N -1 3 311.361 2.843 20 0 DFADHM C[C@]1(CNc2c(F)cc(-c3nn[n-]n3)cc2F)CCCS1 ZINC000820623458 606946262 /nfs/dbraw/zinc/94/62/62/606946262.db2.gz QZZBJLDSQBYZAL-CYBMUJFWSA-N -1 3 311.361 2.843 20 0 DFADHM CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000821611023 606963792 /nfs/dbraw/zinc/96/37/92/606963792.db2.gz OBQMCDAQLOGICG-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000821611023 606963793 /nfs/dbraw/zinc/96/37/93/606963793.db2.gz OBQMCDAQLOGICG-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822930410 606990920 /nfs/dbraw/zinc/99/09/20/606990920.db2.gz ZQHROXPKXIGHBY-VQHVLOKHSA-N -1 3 324.315 2.762 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822930410 606990921 /nfs/dbraw/zinc/99/09/21/606990921.db2.gz ZQHROXPKXIGHBY-VQHVLOKHSA-N -1 3 324.315 2.762 20 0 DFADHM CCC[C@@H](C)CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821014067 606998569 /nfs/dbraw/zinc/99/85/69/606998569.db2.gz BLZAFMLNSWODDY-SNVBAGLBSA-N -1 3 306.341 2.875 20 0 DFADHM CCC[C@@H](C)CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821014067 606998570 /nfs/dbraw/zinc/99/85/70/606998570.db2.gz BLZAFMLNSWODDY-SNVBAGLBSA-N -1 3 306.341 2.875 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820690127 607001175 /nfs/dbraw/zinc/00/11/75/607001175.db2.gz GWDXWSNLEXBYGL-PWSUYJOCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820690127 607001177 /nfs/dbraw/zinc/00/11/77/607001177.db2.gz GWDXWSNLEXBYGL-PWSUYJOCSA-N -1 3 318.352 2.875 20 0 DFADHM CC(C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)=C1CCCC1 ZINC000819884617 607003038 /nfs/dbraw/zinc/00/30/38/607003038.db2.gz XSWXZVGCKHNCOX-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM CC(C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)=C1CCCC1 ZINC000819884617 607003040 /nfs/dbraw/zinc/00/30/40/607003040.db2.gz XSWXZVGCKHNCOX-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM Fc1ccc(F)c(OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822774899 607009138 /nfs/dbraw/zinc/00/91/38/607009138.db2.gz RUTIHJBCXBZRGW-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(F)c(OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822774899 607009140 /nfs/dbraw/zinc/00/91/40/607009140.db2.gz RUTIHJBCXBZRGW-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CC(C)c1noc(CSc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820211392 607009950 /nfs/dbraw/zinc/00/99/50/607009950.db2.gz KZKMGBNNKNKVIH-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CC(C)c1noc(CSc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820211392 607009952 /nfs/dbraw/zinc/00/99/52/607009952.db2.gz KZKMGBNNKNKVIH-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821014777 607011642 /nfs/dbraw/zinc/01/16/42/607011642.db2.gz KZJIMXVKIZORPL-QWRGUYRKSA-N -1 3 319.434 2.652 20 0 DFADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821014777 607011644 /nfs/dbraw/zinc/01/16/44/607011644.db2.gz KZJIMXVKIZORPL-QWRGUYRKSA-N -1 3 319.434 2.652 20 0 DFADHM CCC(CC)NC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000820897685 607015044 /nfs/dbraw/zinc/01/50/44/607015044.db2.gz LMWJDGYZDFCTSJ-SNVBAGLBSA-N -1 3 319.434 2.652 20 0 DFADHM CCC(CC)NC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000820897685 607015047 /nfs/dbraw/zinc/01/50/47/607015047.db2.gz LMWJDGYZDFCTSJ-SNVBAGLBSA-N -1 3 319.434 2.652 20 0 DFADHM CC(C)OC(=O)O[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000820142049 607016226 /nfs/dbraw/zinc/01/62/26/607016226.db2.gz DVJKIYJTQPWVQG-SECBINFHSA-N -1 3 308.363 2.866 20 0 DFADHM CC(C)OC(=O)O[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000820142049 607016228 /nfs/dbraw/zinc/01/62/28/607016228.db2.gz DVJKIYJTQPWVQG-SECBINFHSA-N -1 3 308.363 2.866 20 0 DFADHM Cc1cn(Cc2coc(-c3cccc(F)c3)n2)cc1-c1nnn[n-]1 ZINC000822385164 607022303 /nfs/dbraw/zinc/02/23/03/607022303.db2.gz YTMDWMXFNLBMAS-UHFFFAOYSA-N -1 3 324.319 2.819 20 0 DFADHM Cc1cn(Cc2coc(-c3cccc(F)c3)n2)cc1-c1nn[n-]n1 ZINC000822385164 607022305 /nfs/dbraw/zinc/02/23/05/607022305.db2.gz YTMDWMXFNLBMAS-UHFFFAOYSA-N -1 3 324.319 2.819 20 0 DFADHM CCC(=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC)CC ZINC000820833186 607023557 /nfs/dbraw/zinc/02/35/57/607023557.db2.gz SVTFULQPIURCGZ-UHFFFAOYSA-N -1 3 302.334 2.527 20 0 DFADHM CCC(=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC)CC ZINC000820833186 607023558 /nfs/dbraw/zinc/02/35/58/607023558.db2.gz SVTFULQPIURCGZ-UHFFFAOYSA-N -1 3 302.334 2.527 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OCCOc1ccccc1F ZINC000822221662 607030016 /nfs/dbraw/zinc/03/00/16/607030016.db2.gz ZUTONRWOQRODLS-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OCCOc1ccccc1F ZINC000822221662 607030018 /nfs/dbraw/zinc/03/00/18/607030018.db2.gz ZUTONRWOQRODLS-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Fc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000822783179 607034050 /nfs/dbraw/zinc/03/40/50/607034050.db2.gz YMWGJEAYYCPQQO-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000822783179 607034051 /nfs/dbraw/zinc/03/40/51/607034051.db2.gz YMWGJEAYYCPQQO-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(COc2c(F)cccc2F)c1 ZINC000822757821 607038836 /nfs/dbraw/zinc/03/88/36/607038836.db2.gz FOIADOVSVZKWIU-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(COc2c(F)cccc2F)c1 ZINC000822757821 607038837 /nfs/dbraw/zinc/03/88/37/607038837.db2.gz FOIADOVSVZKWIU-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nccn2C2CC2)c1 ZINC000822758645 607040476 /nfs/dbraw/zinc/04/04/76/607040476.db2.gz VBCQCIRJDXHFPT-UHFFFAOYSA-N -1 3 316.365 2.830 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nccn2C2CC2)c1 ZINC000822758645 607040478 /nfs/dbraw/zinc/04/04/78/607040478.db2.gz VBCQCIRJDXHFPT-UHFFFAOYSA-N -1 3 316.365 2.830 20 0 DFADHM Brc1ccc(OCC2CCC2)c(-c2nnn[n-]2)c1 ZINC000819689155 607042260 /nfs/dbraw/zinc/04/22/60/607042260.db2.gz WRRDITXJKJJRDB-UHFFFAOYSA-N -1 3 309.167 2.808 20 0 DFADHM Brc1ccc(OCC2CCC2)c(-c2nn[n-]n2)c1 ZINC000819689155 607042261 /nfs/dbraw/zinc/04/22/61/607042261.db2.gz WRRDITXJKJJRDB-UHFFFAOYSA-N -1 3 309.167 2.808 20 0 DFADHM CCC(CC)(CC)CNC(=O)c1sccc1-c1nnn[n-]1 ZINC000820882346 607048644 /nfs/dbraw/zinc/04/86/44/607048644.db2.gz PMFVKEGFVJLRPS-UHFFFAOYSA-N -1 3 307.423 2.874 20 0 DFADHM CCC(CC)(CC)CNC(=O)c1sccc1-c1nn[n-]n1 ZINC000820882346 607048646 /nfs/dbraw/zinc/04/86/46/607048646.db2.gz PMFVKEGFVJLRPS-UHFFFAOYSA-N -1 3 307.423 2.874 20 0 DFADHM CC(C)C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820067126 607051861 /nfs/dbraw/zinc/05/18/61/607051861.db2.gz DFBRFGIAXUZCFZ-CYBMUJFWSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820067126 607051863 /nfs/dbraw/zinc/05/18/63/607051863.db2.gz DFBRFGIAXUZCFZ-CYBMUJFWSA-N -1 3 313.405 2.765 20 0 DFADHM CN(Cc1cc(F)ccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000821607272 607060783 /nfs/dbraw/zinc/06/07/83/607060783.db2.gz HKAAEJQNAPVULU-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM CN(Cc1cc(F)ccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000821607272 607060784 /nfs/dbraw/zinc/06/07/84/607060784.db2.gz HKAAEJQNAPVULU-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM CC(C)CCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820076547 607079363 /nfs/dbraw/zinc/07/93/63/607079363.db2.gz LUZNQDXPNPVGGS-UHFFFAOYSA-N -1 3 318.377 2.613 20 0 DFADHM CC(C)CCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820076547 607079364 /nfs/dbraw/zinc/07/93/64/607079364.db2.gz LUZNQDXPNPVGGS-UHFFFAOYSA-N -1 3 318.377 2.613 20 0 DFADHM CC(C)(C)/C=C\C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819908295 607082129 /nfs/dbraw/zinc/08/21/29/607082129.db2.gz ZRGYBLBAZPAODW-SREVYHEPSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)(C)/C=C\C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819908295 607082131 /nfs/dbraw/zinc/08/21/31/607082131.db2.gz ZRGYBLBAZPAODW-SREVYHEPSA-N -1 3 304.325 2.651 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000820676025 607085398 /nfs/dbraw/zinc/08/53/98/607085398.db2.gz LIWZVLJHQQKCGE-VUBLIPMDSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC000820676025 607085401 /nfs/dbraw/zinc/08/54/01/607085401.db2.gz LIWZVLJHQQKCGE-VUBLIPMDSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000820686090 607090518 /nfs/dbraw/zinc/09/05/18/607090518.db2.gz WZOCFDQOSPWJCX-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC000820686090 607090520 /nfs/dbraw/zinc/09/05/20/607090520.db2.gz WZOCFDQOSPWJCX-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820684786 607090640 /nfs/dbraw/zinc/09/06/40/607090640.db2.gz SDSVDDHCYWSCDF-WCQYABFASA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820684786 607090641 /nfs/dbraw/zinc/09/06/41/607090641.db2.gz SDSVDDHCYWSCDF-WCQYABFASA-N -1 3 300.362 2.736 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C)c1 ZINC000821304922 607099869 /nfs/dbraw/zinc/09/98/69/607099869.db2.gz UGJJHUPXXNASEE-UHFFFAOYSA-N -1 3 322.372 2.859 20 0 DFADHM COc1cccc2c1CC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821877759 607119589 /nfs/dbraw/zinc/11/95/89/607119589.db2.gz URVQZKNXRIHLKY-OAHLLOKOSA-N -1 3 307.357 2.975 20 0 DFADHM Fc1cc(F)c(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000822748227 607122906 /nfs/dbraw/zinc/12/29/06/607122906.db2.gz OCHKHGWQVXSKQC-HNQUOIGGSA-N -1 3 303.247 2.849 20 0 DFADHM Fc1cc(F)c(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000822748227 607122908 /nfs/dbraw/zinc/12/29/08/607122908.db2.gz OCHKHGWQVXSKQC-HNQUOIGGSA-N -1 3 303.247 2.849 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CCCC(F)(F)C2)n1 ZINC000822193396 607130587 /nfs/dbraw/zinc/13/05/87/607130587.db2.gz WDOYFJHVSLNHLF-JTQLQIEISA-N -1 3 308.336 2.868 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2CCCC(F)(F)C2)n1 ZINC000822193396 607130589 /nfs/dbraw/zinc/13/05/89/607130589.db2.gz WDOYFJHVSLNHLF-JTQLQIEISA-N -1 3 308.336 2.868 20 0 DFADHM c1cnc(N[C@H]2CCOC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823809959 607132412 /nfs/dbraw/zinc/13/24/12/607132412.db2.gz SZNNXBUJRIRVTF-LBPRGKRZSA-N -1 3 314.393 2.556 20 0 DFADHM c1cnc(N[C@H]2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823809959 607132413 /nfs/dbraw/zinc/13/24/13/607132413.db2.gz SZNNXBUJRIRVTF-LBPRGKRZSA-N -1 3 314.393 2.556 20 0 DFADHM CCN(C(=O)C1=CCCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148958 607153633 /nfs/dbraw/zinc/15/36/33/607153633.db2.gz QUJGRTHYIVTSEP-GFCCVEGCSA-N -1 3 311.389 2.887 20 0 DFADHM CCN(C(=O)C1=CCCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148958 607153634 /nfs/dbraw/zinc/15/36/34/607153634.db2.gz QUJGRTHYIVTSEP-GFCCVEGCSA-N -1 3 311.389 2.887 20 0 DFADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)oc1C ZINC000822184451 607158700 /nfs/dbraw/zinc/15/87/00/607158700.db2.gz USKROAXRWXXYRM-NSHDSACASA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)oc1C ZINC000822184451 607158703 /nfs/dbraw/zinc/15/87/03/607158703.db2.gz USKROAXRWXXYRM-NSHDSACASA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)oc1C ZINC000822184450 607158792 /nfs/dbraw/zinc/15/87/92/607158792.db2.gz USKROAXRWXXYRM-LLVKDONJSA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)oc1C ZINC000822184450 607158793 /nfs/dbraw/zinc/15/87/93/607158793.db2.gz USKROAXRWXXYRM-LLVKDONJSA-N -1 3 312.329 2.995 20 0 DFADHM Clc1ncc(CSc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000822590018 607161670 /nfs/dbraw/zinc/16/16/70/607161670.db2.gz GDJOUVJLIIWSRW-UHFFFAOYSA-N -1 3 310.795 2.664 20 0 DFADHM Clc1ncc(CSc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000822590018 607161672 /nfs/dbraw/zinc/16/16/72/607161672.db2.gz GDJOUVJLIIWSRW-UHFFFAOYSA-N -1 3 310.795 2.664 20 0 DFADHM CCCc1nnc(SCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000821143402 607169681 /nfs/dbraw/zinc/16/96/81/607169681.db2.gz UUNGGJJYSFAEDC-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM CCCc1nnc(SCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000821143402 607169682 /nfs/dbraw/zinc/16/96/82/607169682.db2.gz UUNGGJJYSFAEDC-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1OC[C@@H]1CC1(Cl)Cl ZINC000822748236 607171593 /nfs/dbraw/zinc/17/15/93/607171593.db2.gz OLCHNOVWELJNFI-ZETCQYMHSA-N -1 3 303.124 2.578 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1OC[C@@H]1CC1(Cl)Cl ZINC000822748236 607171594 /nfs/dbraw/zinc/17/15/94/607171594.db2.gz OLCHNOVWELJNFI-ZETCQYMHSA-N -1 3 303.124 2.578 20 0 DFADHM COCCC1(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000821687216 607175548 /nfs/dbraw/zinc/17/55/48/607175548.db2.gz UFAREPCJWBJUKY-UHFFFAOYSA-N -1 3 324.388 2.644 20 0 DFADHM COCCC1(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000821687216 607175549 /nfs/dbraw/zinc/17/55/49/607175549.db2.gz UFAREPCJWBJUKY-UHFFFAOYSA-N -1 3 324.388 2.644 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1CC=CCC1 ZINC000823314526 607190425 /nfs/dbraw/zinc/19/04/25/607190425.db2.gz PGOWETCGYNEFIY-VIFPVBQESA-N -1 3 303.753 2.815 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CC=CCC1 ZINC000823314526 607190426 /nfs/dbraw/zinc/19/04/26/607190426.db2.gz PGOWETCGYNEFIY-VIFPVBQESA-N -1 3 303.753 2.815 20 0 DFADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820648627 607196521 /nfs/dbraw/zinc/19/65/21/607196521.db2.gz DLDJKINZHSSFRB-IUCAKERBSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820648627 607196522 /nfs/dbraw/zinc/19/65/22/607196522.db2.gz DLDJKINZHSSFRB-IUCAKERBSA-N -1 3 320.784 2.782 20 0 DFADHM CCC[C@H]1C[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821034964 607204388 /nfs/dbraw/zinc/20/43/88/607204388.db2.gz XOJRANNONDTKPJ-QPUJVOFHSA-N -1 3 320.784 2.830 20 0 DFADHM CCC[C@H]1C[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821034964 607204389 /nfs/dbraw/zinc/20/43/89/607204389.db2.gz XOJRANNONDTKPJ-QPUJVOFHSA-N -1 3 320.784 2.830 20 0 DFADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000821014062 607224811 /nfs/dbraw/zinc/22/48/11/607224811.db2.gz BKIVJMHVOBPGQU-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000821014062 607224812 /nfs/dbraw/zinc/22/48/12/607224812.db2.gz BKIVJMHVOBPGQU-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM O=C(C=Cc1cccs1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822935474 607244706 /nfs/dbraw/zinc/24/47/06/607244706.db2.gz LZGAIKBTFYYZPY-GQCTYLIASA-N -1 3 316.317 2.686 20 0 DFADHM O=C(C=Cc1cccs1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822935474 607244707 /nfs/dbraw/zinc/24/47/07/607244707.db2.gz LZGAIKBTFYYZPY-GQCTYLIASA-N -1 3 316.317 2.686 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000823449808 607244772 /nfs/dbraw/zinc/24/47/72/607244772.db2.gz DLYIHINCHDNMPG-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000823449808 607244773 /nfs/dbraw/zinc/24/47/73/607244773.db2.gz DLYIHINCHDNMPG-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824802303 607785391 /nfs/dbraw/zinc/78/53/91/607785391.db2.gz LSSSAJUVEWLJTD-GFCCVEGCSA-N -1 3 314.393 2.807 20 0 DFADHM CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824802303 607785392 /nfs/dbraw/zinc/78/53/92/607785392.db2.gz LSSSAJUVEWLJTD-GFCCVEGCSA-N -1 3 314.393 2.807 20 0 DFADHM CC1(C)CCC(=CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824796613 607785417 /nfs/dbraw/zinc/78/54/17/607785417.db2.gz RUZNZXGZTMEVGR-UHFFFAOYSA-N -1 3 312.377 2.727 20 0 DFADHM CC1(C)CCC(=CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824796613 607785418 /nfs/dbraw/zinc/78/54/18/607785418.db2.gz RUZNZXGZTMEVGR-UHFFFAOYSA-N -1 3 312.377 2.727 20 0 DFADHM CN(C(=O)C=Cc1ccccc1F)c1ccccc1-c1nnn[n-]1 ZINC000825812546 607786261 /nfs/dbraw/zinc/78/62/61/607786261.db2.gz MHOJXZQAPAXNJI-KHPPLWFESA-N -1 3 323.331 2.682 20 0 DFADHM CN(C(=O)C=Cc1ccccc1F)c1ccccc1-c1nn[n-]n1 ZINC000825812546 607786262 /nfs/dbraw/zinc/78/62/62/607786262.db2.gz MHOJXZQAPAXNJI-KHPPLWFESA-N -1 3 323.331 2.682 20 0 DFADHM Cc1ccc(C)c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826284498 607787642 /nfs/dbraw/zinc/78/76/42/607787642.db2.gz VNCSMUPYIPVPJC-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM Cc1ccc(C)c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826284498 607787643 /nfs/dbraw/zinc/78/76/43/607787643.db2.gz VNCSMUPYIPVPJC-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM CCCCS[C@H](C)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825296417 607788636 /nfs/dbraw/zinc/78/86/36/607788636.db2.gz IEIOYRRFRWYNAP-LLVKDONJSA-N -1 3 319.434 2.751 20 0 DFADHM CCCCS[C@H](C)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825296417 607788637 /nfs/dbraw/zinc/78/86/37/607788637.db2.gz IEIOYRRFRWYNAP-LLVKDONJSA-N -1 3 319.434 2.751 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CC1(C)C ZINC000824319005 607794411 /nfs/dbraw/zinc/79/44/11/607794411.db2.gz CDSFVDCWFZTLRU-LLVKDONJSA-N -1 3 315.377 2.639 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CC1(C)C ZINC000824319005 607794412 /nfs/dbraw/zinc/79/44/12/607794412.db2.gz CDSFVDCWFZTLRU-LLVKDONJSA-N -1 3 315.377 2.639 20 0 DFADHM Cc1cc(F)ccc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826268604 607861526 /nfs/dbraw/zinc/86/15/26/607861526.db2.gz FOVAIDLSKSSVNC-UHFFFAOYSA-N -1 3 304.306 2.595 20 0 DFADHM Cc1cc(F)ccc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826268604 607861527 /nfs/dbraw/zinc/86/15/27/607861527.db2.gz FOVAIDLSKSSVNC-UHFFFAOYSA-N -1 3 304.306 2.595 20 0 DFADHM Cc1cc(C)cc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826265181 607869375 /nfs/dbraw/zinc/86/93/75/607869375.db2.gz OSSORNHMFIBXOG-INIZCTEOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cc(C)cc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826265181 607869376 /nfs/dbraw/zinc/86/93/76/607869376.db2.gz OSSORNHMFIBXOG-INIZCTEOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@@H](O)c1ccccc1 ZINC000826242690 607873981 /nfs/dbraw/zinc/87/39/81/607873981.db2.gz AZMMJZWOUGBMLS-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cc(C)cc([C@@H](O)COc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826264587 607876416 /nfs/dbraw/zinc/87/64/16/607876416.db2.gz SZJASBFESIYQEJ-INIZCTEOSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1ccc([C@H](O)COc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826284195 607877436 /nfs/dbraw/zinc/87/74/36/607877436.db2.gz MSTRZZWKXOPRHM-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc([C@H](O)COc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826284195 607877437 /nfs/dbraw/zinc/87/74/37/607877437.db2.gz MSTRZZWKXOPRHM-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM O[C@H](COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000826503992 607878471 /nfs/dbraw/zinc/87/84/71/607878471.db2.gz LBRBPWJVUMRLMQ-CYBMUJFWSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@H](COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000826503992 607878472 /nfs/dbraw/zinc/87/84/72/607878472.db2.gz LBRBPWJVUMRLMQ-CYBMUJFWSA-N -1 3 316.748 2.633 20 0 DFADHM CCCCSCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825296414 607880459 /nfs/dbraw/zinc/88/04/59/607880459.db2.gz HZCPUBWKBSLYTD-UHFFFAOYSA-N -1 3 306.391 2.687 20 0 DFADHM CCCCSCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825296414 607880460 /nfs/dbraw/zinc/88/04/60/607880460.db2.gz HZCPUBWKBSLYTD-UHFFFAOYSA-N -1 3 306.391 2.687 20 0 DFADHM Cc1ccnc(CSCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000826308478 607880831 /nfs/dbraw/zinc/88/08/31/607880831.db2.gz AZVYAEHYWJJBNM-UHFFFAOYSA-N -1 3 316.365 2.538 20 0 DFADHM Cc1ccnc(CSCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000826308478 607880832 /nfs/dbraw/zinc/88/08/32/607880832.db2.gz AZVYAEHYWJJBNM-UHFFFAOYSA-N -1 3 316.365 2.538 20 0 DFADHM Cc1noc(C)c1CCSc1cccc(-c2nnn[n-]2)c1 ZINC000826339103 607893401 /nfs/dbraw/zinc/89/34/01/607893401.db2.gz RCYSTOOCHCDTMK-UHFFFAOYSA-N -1 3 301.375 2.806 20 0 DFADHM Cc1noc(C)c1CCSc1cccc(-c2nn[n-]n2)c1 ZINC000826339103 607893402 /nfs/dbraw/zinc/89/34/02/607893402.db2.gz RCYSTOOCHCDTMK-UHFFFAOYSA-N -1 3 301.375 2.806 20 0 DFADHM COc1cc(COc2ccc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC000826180106 607916867 /nfs/dbraw/zinc/91/68/67/607916867.db2.gz SAFCOSQZRYLUJJ-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COc1cc(COc2ccc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC000826180106 607916868 /nfs/dbraw/zinc/91/68/68/607916868.db2.gz SAFCOSQZRYLUJJ-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM Cc1oc(C)c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1C ZINC000826340925 607954363 /nfs/dbraw/zinc/95/43/63/607954363.db2.gz PEUODHFWXWKWDV-UHFFFAOYSA-N -1 3 323.356 2.588 20 0 DFADHM Cc1oc(C)c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1C ZINC000826340925 607954364 /nfs/dbraw/zinc/95/43/64/607954364.db2.gz PEUODHFWXWKWDV-UHFFFAOYSA-N -1 3 323.356 2.588 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000824716589 607959297 /nfs/dbraw/zinc/95/92/97/607959297.db2.gz YNGIBITZVODRJJ-SYTKJHMZSA-N -1 3 321.340 2.579 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000824716589 607959298 /nfs/dbraw/zinc/95/92/98/607959298.db2.gz YNGIBITZVODRJJ-SYTKJHMZSA-N -1 3 321.340 2.579 20 0 DFADHM Cc1oc(C)c(C(=O)OCc2ccccc2-c2nnn[n-]2)c1C ZINC000826340512 607961121 /nfs/dbraw/zinc/96/11/21/607961121.db2.gz AUCANTCTNXTZGT-UHFFFAOYSA-N -1 3 312.329 2.742 20 0 DFADHM Cc1oc(C)c(C(=O)OCc2ccccc2-c2nn[n-]n2)c1C ZINC000826340512 607961122 /nfs/dbraw/zinc/96/11/22/607961122.db2.gz AUCANTCTNXTZGT-UHFFFAOYSA-N -1 3 312.329 2.742 20 0 DFADHM CS[C@H](C)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000826224973 607962336 /nfs/dbraw/zinc/96/23/36/607962336.db2.gz QGJPHJTWRMECCY-ZCFIWIBFSA-N -1 3 311.436 2.625 20 0 DFADHM CS[C@H](C)CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000826224973 607962337 /nfs/dbraw/zinc/96/23/37/607962337.db2.gz QGJPHJTWRMECCY-ZCFIWIBFSA-N -1 3 311.436 2.625 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H](C)SC)s1 ZINC000825694558 607962467 /nfs/dbraw/zinc/96/24/67/607962467.db2.gz ULFNUHONCYZWKO-SSDOTTSWSA-N -1 3 311.436 2.571 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H](C)SC)s1 ZINC000825694558 607962468 /nfs/dbraw/zinc/96/24/68/607962468.db2.gz ULFNUHONCYZWKO-SSDOTTSWSA-N -1 3 311.436 2.571 20 0 DFADHM c1sc(C2CC2)nc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000826513432 607965944 /nfs/dbraw/zinc/96/59/44/607965944.db2.gz LBSRXXZVLZZLFV-UHFFFAOYSA-N -1 3 316.415 2.888 20 0 DFADHM c1sc(C2CC2)nc1CSc1cc(-c2nn[n-]n2)ccn1 ZINC000826513432 607965945 /nfs/dbraw/zinc/96/59/45/607965945.db2.gz LBSRXXZVLZZLFV-UHFFFAOYSA-N -1 3 316.415 2.888 20 0 DFADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000824811829 607967232 /nfs/dbraw/zinc/96/72/32/607967232.db2.gz DOQVQXUQMCBJHQ-UHFFFAOYSA-N -1 3 306.373 2.560 20 0 DFADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824811829 607967233 /nfs/dbraw/zinc/96/72/33/607967233.db2.gz DOQVQXUQMCBJHQ-UHFFFAOYSA-N -1 3 306.373 2.560 20 0 DFADHM COc1ccc(-c2nc3ccc(F)cc3n2C)cc1-c1nnn[n-]1 ZINC000826181566 607974107 /nfs/dbraw/zinc/97/41/07/607974107.db2.gz DRLZVXTYVVRDGZ-UHFFFAOYSA-N -1 3 324.319 2.568 20 0 DFADHM COc1ccc(-c2nc3ccc(F)cc3n2C)cc1-c1nn[n-]n1 ZINC000826181566 607974108 /nfs/dbraw/zinc/97/41/08/607974108.db2.gz DRLZVXTYVVRDGZ-UHFFFAOYSA-N -1 3 324.319 2.568 20 0 DFADHM CN(C(=O)C1CCC(F)(F)CC1)c1ccccc1-c1nnn[n-]1 ZINC000825812749 608006259 /nfs/dbraw/zinc/00/62/59/608006259.db2.gz SQCJXTYXDSBCBC-UHFFFAOYSA-N -1 3 321.331 2.655 20 0 DFADHM CN(C(=O)C1CCC(F)(F)CC1)c1ccccc1-c1nn[n-]n1 ZINC000825812749 608006260 /nfs/dbraw/zinc/00/62/60/608006260.db2.gz SQCJXTYXDSBCBC-UHFFFAOYSA-N -1 3 321.331 2.655 20 0 DFADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC12CCCCC2 ZINC000826470170 608009558 /nfs/dbraw/zinc/00/95/58/608009558.db2.gz GFSCZSGPLLSYQI-UHFFFAOYSA-N -1 3 317.418 2.867 20 0 DFADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC12CCCCC2 ZINC000826470170 608009559 /nfs/dbraw/zinc/00/95/59/608009559.db2.gz GFSCZSGPLLSYQI-UHFFFAOYSA-N -1 3 317.418 2.867 20 0 DFADHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824662619 608016920 /nfs/dbraw/zinc/01/69/20/608016920.db2.gz OANSLCCOLNJVDC-ZETCQYMHSA-N -1 3 323.282 2.782 20 0 DFADHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824662619 608016921 /nfs/dbraw/zinc/01/69/21/608016921.db2.gz OANSLCCOLNJVDC-ZETCQYMHSA-N -1 3 323.282 2.782 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCc2ccsc2C1 ZINC000826371437 608045678 /nfs/dbraw/zinc/04/56/78/608045678.db2.gz GOFDVLCWBGYZGW-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Cn1c2ccccc2nc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826355743 608097890 /nfs/dbraw/zinc/09/78/90/608097890.db2.gz LUZZLURXVCOPJU-UHFFFAOYSA-N -1 3 323.335 2.505 20 0 DFADHM Cn1c2ccccc2nc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826355743 608097891 /nfs/dbraw/zinc/09/78/91/608097891.db2.gz LUZZLURXVCOPJU-UHFFFAOYSA-N -1 3 323.335 2.505 20 0 DFADHM COc1ccc(F)c(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826209391 608113552 /nfs/dbraw/zinc/11/35/52/608113552.db2.gz ZWNORENFBXBHCF-UHFFFAOYSA-N -1 3 305.338 2.688 20 0 DFADHM COc1ccc(F)c(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826209391 608113553 /nfs/dbraw/zinc/11/35/53/608113553.db2.gz ZWNORENFBXBHCF-UHFFFAOYSA-N -1 3 305.338 2.688 20 0 DFADHM CC(C)n1cccc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000824371904 608118138 /nfs/dbraw/zinc/11/81/38/608118138.db2.gz YCBIOIWPPCQPCO-UHFFFAOYSA-N -1 3 311.345 2.606 20 0 DFADHM CC(C)n1cccc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000824371904 608118139 /nfs/dbraw/zinc/11/81/39/608118139.db2.gz YCBIOIWPPCQPCO-UHFFFAOYSA-N -1 3 311.345 2.606 20 0 DFADHM CCC[C@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)C(C)C ZINC000825225434 608120833 /nfs/dbraw/zinc/12/08/33/608120833.db2.gz SNOMUJRSTJUCJJ-AWEZNQCLSA-N -1 3 313.405 2.828 20 0 DFADHM CCC[C@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)C(C)C ZINC000825225434 608120834 /nfs/dbraw/zinc/12/08/34/608120834.db2.gz SNOMUJRSTJUCJJ-AWEZNQCLSA-N -1 3 313.405 2.828 20 0 DFADHM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000824391727 608123232 /nfs/dbraw/zinc/12/32/32/608123232.db2.gz JVQDTRMFRAKKBC-NOZJJQNGSA-N -1 3 317.324 2.523 20 0 DFADHM c1csc(-c2ccn(Cc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000826516273 608152922 /nfs/dbraw/zinc/15/29/22/608152922.db2.gz DPWJTHDGGCWTLR-UHFFFAOYSA-N -1 3 308.370 2.840 20 0 DFADHM c1csc(-c2ccn(Cc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000826516273 608152923 /nfs/dbraw/zinc/15/29/23/608152923.db2.gz DPWJTHDGGCWTLR-UHFFFAOYSA-N -1 3 308.370 2.840 20 0 DFADHM C[C@@H]1CCC[C@H](COC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824928864 608172203 /nfs/dbraw/zinc/17/22/03/608172203.db2.gz VNHVLCGZWOGDME-OCCSQVGLSA-N -1 3 314.389 2.779 20 0 DFADHM C[C@@H]1CCC[C@H](COC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824928864 608172205 /nfs/dbraw/zinc/17/22/05/608172205.db2.gz VNHVLCGZWOGDME-OCCSQVGLSA-N -1 3 314.389 2.779 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1nc(C2CC2)ns1 ZINC000826254923 608181268 /nfs/dbraw/zinc/18/12/68/608181268.db2.gz FZSIPNXCDUXULA-UHFFFAOYSA-N -1 3 300.347 2.696 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nc(C2CC2)ns1 ZINC000826254923 608181270 /nfs/dbraw/zinc/18/12/70/608181270.db2.gz FZSIPNXCDUXULA-UHFFFAOYSA-N -1 3 300.347 2.696 20 0 DFADHM c1cc2nc(NC[C@H]3CCCS3)ccc2cc1-c1nnn[n-]1 ZINC000826518351 608232873 /nfs/dbraw/zinc/23/28/73/608232873.db2.gz KJVOLJXETLDTDL-GFCCVEGCSA-N -1 3 312.402 2.722 20 0 DFADHM c1cc2nc(NC[C@H]3CCCS3)ccc2cc1-c1nn[n-]n1 ZINC000826518351 608232874 /nfs/dbraw/zinc/23/28/74/608232874.db2.gz KJVOLJXETLDTDL-GFCCVEGCSA-N -1 3 312.402 2.722 20 0 DFADHM c1cc2nc(N3CC[C@@H](C4CC4)C3)ccc2cc1-c1nnn[n-]1 ZINC000826518469 608235811 /nfs/dbraw/zinc/23/58/11/608235811.db2.gz OQIYYXAHBSPXQI-CQSZACIVSA-N -1 3 306.373 2.651 20 0 DFADHM c1cc2nc(N3CC[C@@H](C4CC4)C3)ccc2cc1-c1nn[n-]n1 ZINC000826518469 608235814 /nfs/dbraw/zinc/23/58/14/608235814.db2.gz OQIYYXAHBSPXQI-CQSZACIVSA-N -1 3 306.373 2.651 20 0 DFADHM CC(C)(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCCC1 ZINC000824157809 608239479 /nfs/dbraw/zinc/23/94/79/608239479.db2.gz NJSDMIRULRQPRY-UHFFFAOYSA-N -1 3 316.409 2.531 20 0 DFADHM CC(C)(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCCC1 ZINC000824157809 608239480 /nfs/dbraw/zinc/23/94/80/608239480.db2.gz NJSDMIRULRQPRY-UHFFFAOYSA-N -1 3 316.409 2.531 20 0 DFADHM CC(C)(CCCO)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000824152321 608244197 /nfs/dbraw/zinc/24/41/97/608244197.db2.gz ABMYIXZDTWHXHU-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CC(C)(CCCO)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000824152321 608244199 /nfs/dbraw/zinc/24/41/99/608244199.db2.gz ABMYIXZDTWHXHU-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825192741 608261870 /nfs/dbraw/zinc/26/18/70/608261870.db2.gz HVTIUCNRTXQRDK-KOLCDFICSA-N -1 3 318.356 2.801 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825192741 608261871 /nfs/dbraw/zinc/26/18/71/608261871.db2.gz HVTIUCNRTXQRDK-KOLCDFICSA-N -1 3 318.356 2.801 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2sccc2-c2nnn[n-]2)c1F ZINC000826289065 608266353 /nfs/dbraw/zinc/26/63/53/608266353.db2.gz JEQUBKQQCPXCGA-UHFFFAOYSA-N -1 3 321.312 2.767 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2sccc2-c2nn[n-]n2)c1F ZINC000826289065 608266354 /nfs/dbraw/zinc/26/63/54/608266354.db2.gz JEQUBKQQCPXCGA-UHFFFAOYSA-N -1 3 321.312 2.767 20 0 DFADHM C[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1nccs1 ZINC000824531581 608270794 /nfs/dbraw/zinc/27/07/94/608270794.db2.gz PNUYCTBLGBGFLH-NXEZZACHSA-N -1 3 300.391 2.735 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCc3c2cccc3F)n1 ZINC000826276223 608277027 /nfs/dbraw/zinc/27/70/27/608277027.db2.gz XZCXMNDFABQCPN-AWEZNQCLSA-N -1 3 310.336 2.809 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCc3c2cccc3F)n1 ZINC000826276223 608277029 /nfs/dbraw/zinc/27/70/29/608277029.db2.gz XZCXMNDFABQCPN-AWEZNQCLSA-N -1 3 310.336 2.809 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000824947701 608283165 /nfs/dbraw/zinc/28/31/65/608283165.db2.gz QASXBZZMIPSADN-ZJUUUORDSA-N -1 3 318.356 2.516 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000824947701 608283167 /nfs/dbraw/zinc/28/31/67/608283167.db2.gz QASXBZZMIPSADN-ZJUUUORDSA-N -1 3 318.356 2.516 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCCc3sccc3C2)n1 ZINC000826274956 608284881 /nfs/dbraw/zinc/28/48/81/608284881.db2.gz KEPICMRKPYRAOA-UHFFFAOYSA-N -1 3 312.402 2.584 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCCc3sccc3C2)n1 ZINC000826274956 608284882 /nfs/dbraw/zinc/28/48/82/608284882.db2.gz KEPICMRKPYRAOA-UHFFFAOYSA-N -1 3 312.402 2.584 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CSc3ccccc32)n1 ZINC000826276226 608288383 /nfs/dbraw/zinc/28/83/83/608288383.db2.gz YAFZELVIILISOE-LBPRGKRZSA-N -1 3 310.386 2.829 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CSc3ccccc32)n1 ZINC000826276226 608288384 /nfs/dbraw/zinc/28/83/84/608288384.db2.gz YAFZELVIILISOE-LBPRGKRZSA-N -1 3 310.386 2.829 20 0 DFADHM CCc1ccc(CCNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000825712935 608289265 /nfs/dbraw/zinc/28/92/65/608289265.db2.gz XOLALEXODVBCKS-UHFFFAOYSA-N -1 3 308.389 2.787 20 0 DFADHM CCc1ccc(CCNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000825712935 608289267 /nfs/dbraw/zinc/28/92/67/608289267.db2.gz XOLALEXODVBCKS-UHFFFAOYSA-N -1 3 308.389 2.787 20 0 DFADHM CC(C)[C@@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000824225199 608294736 /nfs/dbraw/zinc/29/47/36/608294736.db2.gz RZYUFOQCVQDNEV-CYBMUJFWSA-N -1 3 312.421 2.623 20 0 DFADHM CC(C)[C@@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000824225199 608294738 /nfs/dbraw/zinc/29/47/38/608294738.db2.gz RZYUFOQCVQDNEV-CYBMUJFWSA-N -1 3 312.421 2.623 20 0 DFADHM FC1(F)CC[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826370124 608297671 /nfs/dbraw/zinc/29/76/71/608297671.db2.gz FFFPWWZXHRHQJM-JTQLQIEISA-N -1 3 320.347 2.740 20 0 DFADHM FC1(F)CC[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826370124 608297674 /nfs/dbraw/zinc/29/76/74/608297674.db2.gz FFFPWWZXHRHQJM-JTQLQIEISA-N -1 3 320.347 2.740 20 0 DFADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2o1 ZINC000826464632 608322573 /nfs/dbraw/zinc/32/25/73/608322573.db2.gz GBFIRAOXJJIGBO-UHFFFAOYSA-N -1 3 320.308 2.970 20 0 DFADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC000826464632 608322574 /nfs/dbraw/zinc/32/25/74/608322574.db2.gz GBFIRAOXJJIGBO-UHFFFAOYSA-N -1 3 320.308 2.970 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(F)c(C)c1 ZINC000826173113 608325622 /nfs/dbraw/zinc/32/56/22/608325622.db2.gz NPCBVKQWARZFNL-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(F)c(C)c1 ZINC000826173113 608325623 /nfs/dbraw/zinc/32/56/23/608325623.db2.gz NPCBVKQWARZFNL-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM Cc1scc(C(=O)Nc2sccc2-c2nnn[n-]2)c1C ZINC000826350122 608339730 /nfs/dbraw/zinc/33/97/30/608339730.db2.gz JKBQMABUAGRTAF-UHFFFAOYSA-N -1 3 305.388 2.859 20 0 DFADHM Cc1scc(C(=O)Nc2sccc2-c2nn[n-]n2)c1C ZINC000826350122 608339731 /nfs/dbraw/zinc/33/97/31/608339731.db2.gz JKBQMABUAGRTAF-UHFFFAOYSA-N -1 3 305.388 2.859 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(C)c1 ZINC000826172813 608346293 /nfs/dbraw/zinc/34/62/93/608346293.db2.gz YIRJCUDOHSLQNN-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(C)c1 ZINC000826172813 608346296 /nfs/dbraw/zinc/34/62/96/608346296.db2.gz YIRJCUDOHSLQNN-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM CCN(C(=O)[C@H]1CC1(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367933 608346665 /nfs/dbraw/zinc/34/66/65/608346665.db2.gz XUGJRASAPQIUHI-LLVKDONJSA-N -1 3 319.796 2.919 20 0 DFADHM CCN(C(=O)[C@H]1CC1(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367933 608346667 /nfs/dbraw/zinc/34/66/67/608346667.db2.gz XUGJRASAPQIUHI-LLVKDONJSA-N -1 3 319.796 2.919 20 0 DFADHM C[C@H](c1ccc(F)c(F)c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC000824761535 608363874 /nfs/dbraw/zinc/36/38/74/608363874.db2.gz BMYFBJPZIVXNTM-SECBINFHSA-N -1 3 316.315 2.737 20 0 DFADHM C[C@H](c1ccc(F)c(F)c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC000824761535 608363876 /nfs/dbraw/zinc/36/38/76/608363876.db2.gz BMYFBJPZIVXNTM-SECBINFHSA-N -1 3 316.315 2.737 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CN1Cc2ccccc2[C@@H]1C ZINC000826170309 608367922 /nfs/dbraw/zinc/36/79/22/608367922.db2.gz WCENIBLKJZRLKW-LBPRGKRZSA-N -1 3 321.384 2.952 20 0 DFADHM OC1(CNc2c(Cl)cccc2-c2nnn[n-]2)CCCCC1 ZINC000826506077 608375996 /nfs/dbraw/zinc/37/59/96/608375996.db2.gz MEBCLLNUXUJRCG-UHFFFAOYSA-N -1 3 307.785 2.627 20 0 DFADHM OC1(CNc2c(Cl)cccc2-c2nn[n-]n2)CCCCC1 ZINC000826506077 608375998 /nfs/dbraw/zinc/37/59/98/608375998.db2.gz MEBCLLNUXUJRCG-UHFFFAOYSA-N -1 3 307.785 2.627 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CCc3c2cccc3O)n1 ZINC000826262263 608381393 /nfs/dbraw/zinc/38/13/93/608381393.db2.gz JPXSAQQUEGSJPY-ZDUSSCGKSA-N -1 3 322.372 2.684 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2CCc3c2cccc3O)n1 ZINC000826262263 608381395 /nfs/dbraw/zinc/38/13/95/608381395.db2.gz JPXSAQQUEGSJPY-ZDUSSCGKSA-N -1 3 322.372 2.684 20 0 DFADHM Fc1cccc(N2CCC[C@@H]2c2ccncc2)c1-c1nnn[n-]1 ZINC000826377154 608398637 /nfs/dbraw/zinc/39/86/37/608398637.db2.gz HATCSEMULWZLAX-CYBMUJFWSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1cccc(N2CCC[C@@H]2c2ccncc2)c1-c1nn[n-]n1 ZINC000826377154 608398639 /nfs/dbraw/zinc/39/86/39/608398639.db2.gz HATCSEMULWZLAX-CYBMUJFWSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1c(CN2CCC[C@@H]2c2ccccn2)cccc1-c1nnn[n-]1 ZINC000826370964 608401782 /nfs/dbraw/zinc/40/17/82/608401782.db2.gz NEVDGYXTEDAZPW-OAHLLOKOSA-N -1 3 324.363 2.738 20 0 DFADHM O=C(CC1=CCCCC1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826404341 608448226 /nfs/dbraw/zinc/44/82/26/608448226.db2.gz WVEDRHNWGFPOGI-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM O=C(CC1=CCCCC1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826404341 608448228 /nfs/dbraw/zinc/44/82/28/608448228.db2.gz WVEDRHNWGFPOGI-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM CCC1(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000825159277 608476233 /nfs/dbraw/zinc/47/62/33/608476233.db2.gz MOALPHQBNVIKDZ-UHFFFAOYSA-N -1 3 323.400 2.673 20 0 DFADHM CCC1(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000825159277 608476234 /nfs/dbraw/zinc/47/62/34/608476234.db2.gz MOALPHQBNVIKDZ-UHFFFAOYSA-N -1 3 323.400 2.673 20 0 DFADHM C[C@@H](N[C@@H](C)c1cscn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824530422 608492662 /nfs/dbraw/zinc/49/26/62/608492662.db2.gz LCRGPWNJPOJGNW-ZJUUUORDSA-N -1 3 300.391 2.735 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccc(Cl)s1 ZINC000825962015 608501821 /nfs/dbraw/zinc/50/18/21/608501821.db2.gz QIBLOVIAORJWGH-UHFFFAOYSA-N -1 3 309.782 2.807 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc(Cl)s1 ZINC000825962015 608501822 /nfs/dbraw/zinc/50/18/22/608501822.db2.gz QIBLOVIAORJWGH-UHFFFAOYSA-N -1 3 309.782 2.807 20 0 DFADHM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824763198 608509878 /nfs/dbraw/zinc/50/98/78/608509878.db2.gz KVLHSYUGJIYWMV-SECBINFHSA-N -1 3 319.315 2.931 20 0 DFADHM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824763198 608509879 /nfs/dbraw/zinc/50/98/79/608509879.db2.gz KVLHSYUGJIYWMV-SECBINFHSA-N -1 3 319.315 2.931 20 0 DFADHM Cc1ccc(F)c(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826289206 608525283 /nfs/dbraw/zinc/52/52/83/608525283.db2.gz PPSWCTYVMLSRJJ-UHFFFAOYSA-N -1 3 311.364 2.946 20 0 DFADHM Cc1cc([C@H]2CCCN2Cc2cc(-c3nnn[n-]3)cs2)no1 ZINC000826265962 608546408 /nfs/dbraw/zinc/54/64/08/608546408.db2.gz VIZSGFAORYFVDN-CYBMUJFWSA-N -1 3 316.390 2.562 20 0 DFADHM Cc1cc([C@H]2CCCN2Cc2cc(-c3nn[n-]n3)cs2)no1 ZINC000826265962 608546409 /nfs/dbraw/zinc/54/64/09/608546409.db2.gz VIZSGFAORYFVDN-CYBMUJFWSA-N -1 3 316.390 2.562 20 0 DFADHM CC1(C)CC[C@@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824803768 608607821 /nfs/dbraw/zinc/60/78/21/608607821.db2.gz WXRFZBUOPQRIPU-SNVBAGLBSA-N -1 3 318.356 2.706 20 0 DFADHM CC1(C)CC[C@@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824803768 608607824 /nfs/dbraw/zinc/60/78/24/608607824.db2.gz WXRFZBUOPQRIPU-SNVBAGLBSA-N -1 3 318.356 2.706 20 0 DFADHM Cc1c(NC(=O)N[C@@H]2CCC(C)(C)C2)cccc1-c1nnn[n-]1 ZINC000826241517 608608844 /nfs/dbraw/zinc/60/88/44/608608844.db2.gz GNUWIVSADIAPKR-LLVKDONJSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@@H]2CCC(C)(C)C2)cccc1-c1nn[n-]n1 ZINC000826241517 608608845 /nfs/dbraw/zinc/60/88/45/608608845.db2.gz GNUWIVSADIAPKR-LLVKDONJSA-N -1 3 314.393 2.875 20 0 DFADHM c1ccc(SCCCNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826523007 608773423 /nfs/dbraw/zinc/77/34/23/608773423.db2.gz XCYHZRSXWBMWJG-UHFFFAOYSA-N -1 3 312.402 2.856 20 0 DFADHM c1ccc(SCCCNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826523007 608773424 /nfs/dbraw/zinc/77/34/24/608773424.db2.gz XCYHZRSXWBMWJG-UHFFFAOYSA-N -1 3 312.402 2.856 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)CN1c1cnccc1-c1nnn[n-]1 ZINC000824899657 608783406 /nfs/dbraw/zinc/78/34/06/608783406.db2.gz MLUGFIPUYRLVAP-OCCSQVGLSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)CN1c1cnccc1-c1nn[n-]n1 ZINC000824899657 608783407 /nfs/dbraw/zinc/78/34/07/608783407.db2.gz MLUGFIPUYRLVAP-OCCSQVGLSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1cnccc1-c1nnn[n-]1 ZINC000824899658 608783515 /nfs/dbraw/zinc/78/35/15/608783515.db2.gz MLUGFIPUYRLVAP-TZMCWYRMSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1cnccc1-c1nn[n-]n1 ZINC000824899658 608783517 /nfs/dbraw/zinc/78/35/17/608783517.db2.gz MLUGFIPUYRLVAP-TZMCWYRMSA-N -1 3 306.373 2.644 20 0 DFADHM CCS[C@H]1CCC[C@H](Nc2cnccc2-c2nnn[n-]2)C1 ZINC000825668546 608789037 /nfs/dbraw/zinc/78/90/37/608789037.db2.gz GLQOVZFQQIRZHR-QWRGUYRKSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@H]1CCC[C@H](Nc2cnccc2-c2nn[n-]n2)C1 ZINC000825668546 608789039 /nfs/dbraw/zinc/78/90/39/608789039.db2.gz GLQOVZFQQIRZHR-QWRGUYRKSA-N -1 3 304.423 2.738 20 0 DFADHM COc1cc(F)cc(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826180414 608799574 /nfs/dbraw/zinc/79/95/74/608799574.db2.gz GWYINMYDBBLQBY-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Cn1c(Cl)nc(Cl)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826355670 608868381 /nfs/dbraw/zinc/86/83/81/608868381.db2.gz IZXDMEQTAQUXNI-UHFFFAOYSA-N -1 3 324.175 2.519 20 0 DFADHM Cn1c(Cl)nc(Cl)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826355670 608868384 /nfs/dbraw/zinc/86/83/84/608868384.db2.gz IZXDMEQTAQUXNI-UHFFFAOYSA-N -1 3 324.175 2.519 20 0 DFADHM CON(Cc1ccccc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000826166331 609143219 /nfs/dbraw/zinc/14/32/19/609143219.db2.gz GIMIXTPVTBIDFK-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CON(Cc1ccccc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000826166331 609143220 /nfs/dbraw/zinc/14/32/20/609143220.db2.gz GIMIXTPVTBIDFK-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CCC/C=C\C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825261407 609153322 /nfs/dbraw/zinc/15/33/22/609153322.db2.gz YRLYKUXIIZIYNL-PLNGDYQASA-N -1 3 306.753 2.920 20 0 DFADHM CCC/C=C\C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825261407 609153323 /nfs/dbraw/zinc/15/33/23/609153323.db2.gz YRLYKUXIIZIYNL-PLNGDYQASA-N -1 3 306.753 2.920 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(C)cs1 ZINC000825480622 609178853 /nfs/dbraw/zinc/17/88/53/609178853.db2.gz DCSKIBREMIIFGC-UHFFFAOYSA-N -1 3 315.406 2.676 20 0 DFADHM CC(C)CCCS[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824242877 609181282 /nfs/dbraw/zinc/18/12/82/609181282.db2.gz CLMJUAKZXFYQSX-CYBMUJFWSA-N -1 3 319.434 2.563 20 0 DFADHM CC(C)CCCS[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824242877 609181283 /nfs/dbraw/zinc/18/12/83/609181283.db2.gz CLMJUAKZXFYQSX-CYBMUJFWSA-N -1 3 319.434 2.563 20 0 DFADHM CCCCCC(C)(C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825268795 609223824 /nfs/dbraw/zinc/22/38/24/609223824.db2.gz YNVVRUXJHCOVJD-UHFFFAOYSA-N -1 3 304.398 2.531 20 0 DFADHM CCCCCC(C)(C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825268795 609223825 /nfs/dbraw/zinc/22/38/25/609223825.db2.gz YNVVRUXJHCOVJD-UHFFFAOYSA-N -1 3 304.398 2.531 20 0 DFADHM CC(C)c1nnc(NCc2ccc(-c3nnn[n-]3)s2)s1 ZINC000824364541 609265667 /nfs/dbraw/zinc/26/56/67/609265667.db2.gz KWALEJNTLYBBIQ-UHFFFAOYSA-N -1 3 307.408 2.515 20 0 DFADHM Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)cnc1Cl ZINC000826271615 609266348 /nfs/dbraw/zinc/26/63/48/609266348.db2.gz YUNMXRMIHUWZJK-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)cnc1Cl ZINC000826271615 609266350 /nfs/dbraw/zinc/26/63/50/609266350.db2.gz YUNMXRMIHUWZJK-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824876383 609286103 /nfs/dbraw/zinc/28/61/03/609286103.db2.gz RZCGBLBWSMJEKP-UWVGGRQHSA-N -1 3 319.796 2.638 20 0 DFADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824876383 609286104 /nfs/dbraw/zinc/28/61/04/609286104.db2.gz RZCGBLBWSMJEKP-UWVGGRQHSA-N -1 3 319.796 2.638 20 0 DFADHM CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825193359 609288504 /nfs/dbraw/zinc/28/85/04/609288504.db2.gz LCSDBPQRIDPEEW-JTQLQIEISA-N -1 3 319.796 2.782 20 0 DFADHM CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825193359 609288505 /nfs/dbraw/zinc/28/85/05/609288505.db2.gz LCSDBPQRIDPEEW-JTQLQIEISA-N -1 3 319.796 2.782 20 0 DFADHM CCCN(CC1CC1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825308105 609296260 /nfs/dbraw/zinc/29/62/60/609296260.db2.gz VGZKETPODXUXPA-UHFFFAOYSA-N -1 3 319.796 2.782 20 0 DFADHM CCCN(CC1CC1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825308105 609296262 /nfs/dbraw/zinc/29/62/62/609296262.db2.gz VGZKETPODXUXPA-UHFFFAOYSA-N -1 3 319.796 2.782 20 0 DFADHM CC(C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824305360 609302036 /nfs/dbraw/zinc/30/20/36/609302036.db2.gz OFMGFSPWSUDHNE-UHFFFAOYSA-N -1 3 323.356 2.797 20 0 DFADHM CC(C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824305360 609302037 /nfs/dbraw/zinc/30/20/37/609302037.db2.gz OFMGFSPWSUDHNE-UHFFFAOYSA-N -1 3 323.356 2.797 20 0 DFADHM CC1(C)C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2F)C(C)(C)O1 ZINC000824788847 609318879 /nfs/dbraw/zinc/31/88/79/609318879.db2.gz CJKWJADHXBXEEP-GFCCVEGCSA-N -1 3 305.357 2.764 20 0 DFADHM COCCC[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826155175 609331107 /nfs/dbraw/zinc/33/11/07/609331107.db2.gz IYHHERDOFDYRKQ-VIFPVBQESA-N -1 3 323.784 2.521 20 0 DFADHM COCCC[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826155175 609331109 /nfs/dbraw/zinc/33/11/09/609331109.db2.gz IYHHERDOFDYRKQ-VIFPVBQESA-N -1 3 323.784 2.521 20 0 DFADHM CCc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000825700895 609331479 /nfs/dbraw/zinc/33/14/79/609331479.db2.gz YEKKGWOAXPNPPM-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CCc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825700895 609331481 /nfs/dbraw/zinc/33/14/81/609331481.db2.gz YEKKGWOAXPNPPM-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000826185916 609380816 /nfs/dbraw/zinc/38/08/16/609380816.db2.gz XYDPUMLKRDHNHE-NSHDSACASA-N -1 3 315.377 2.640 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000826185916 609380817 /nfs/dbraw/zinc/38/08/17/609380817.db2.gz XYDPUMLKRDHNHE-NSHDSACASA-N -1 3 315.377 2.640 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@@]3(CC[C@H](C)C3)C2)n1 ZINC000826262659 609391232 /nfs/dbraw/zinc/39/12/32/609391232.db2.gz UVWOMOCCDHRCMI-APPDUMDISA-N -1 3 312.421 2.895 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@@]3(CC[C@H](C)C3)C2)n1 ZINC000826262659 609391233 /nfs/dbraw/zinc/39/12/33/609391233.db2.gz UVWOMOCCDHRCMI-APPDUMDISA-N -1 3 312.421 2.895 20 0 DFADHM C[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824472871 609391615 /nfs/dbraw/zinc/39/16/15/609391615.db2.gz XOKXNFVTYDCDSI-BXUZGUMPSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824472871 609391617 /nfs/dbraw/zinc/39/16/17/609391617.db2.gz XOKXNFVTYDCDSI-BXUZGUMPSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824472872 609391710 /nfs/dbraw/zinc/39/17/10/609391710.db2.gz XOKXNFVTYDCDSI-FZMZJTMJSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824472872 609391712 /nfs/dbraw/zinc/39/17/12/609391712.db2.gz XOKXNFVTYDCDSI-FZMZJTMJSA-N -1 3 313.405 2.870 20 0 DFADHM OCc1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826510352 609420186 /nfs/dbraw/zinc/42/01/86/609420186.db2.gz MBVZQSJORUJWCV-UHFFFAOYSA-N -1 3 316.748 2.591 20 0 DFADHM OCc1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826510352 609420188 /nfs/dbraw/zinc/42/01/88/609420188.db2.gz MBVZQSJORUJWCV-UHFFFAOYSA-N -1 3 316.748 2.591 20 0 DFADHM CC(C)Oc1ncccc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000824337795 609424923 /nfs/dbraw/zinc/42/49/23/609424923.db2.gz HTMJVWJUEBQAFC-UHFFFAOYSA-N -1 3 311.345 2.628 20 0 DFADHM CC(C)Oc1ncccc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000824337795 609424925 /nfs/dbraw/zinc/42/49/25/609424925.db2.gz HTMJVWJUEBQAFC-UHFFFAOYSA-N -1 3 311.345 2.628 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC=CCC1 ZINC000826268030 609430590 /nfs/dbraw/zinc/43/05/90/609430590.db2.gz HJHPVLSIAGPZGT-UHFFFAOYSA-N -1 3 310.336 2.629 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC=CCC1 ZINC000826268030 609430593 /nfs/dbraw/zinc/43/05/93/609430593.db2.gz HJHPVLSIAGPZGT-UHFFFAOYSA-N -1 3 310.336 2.629 20 0 DFADHM OCc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826510306 609438453 /nfs/dbraw/zinc/43/84/53/609438453.db2.gz JQDSHEGUKLGHFC-UHFFFAOYSA-N -1 3 315.764 2.625 20 0 DFADHM OCc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826510306 609438452 /nfs/dbraw/zinc/43/84/52/609438452.db2.gz JQDSHEGUKLGHFC-UHFFFAOYSA-N -1 3 315.764 2.625 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cscn1 ZINC000824325032 609478600 /nfs/dbraw/zinc/47/86/00/609478600.db2.gz YMGYFYYVSRMYFR-UHFFFAOYSA-N -1 3 316.390 2.723 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cscn1 ZINC000824325032 609478602 /nfs/dbraw/zinc/47/86/02/609478602.db2.gz YMGYFYYVSRMYFR-UHFFFAOYSA-N -1 3 316.390 2.723 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cn2cccc(F)c2n1 ZINC000826278576 609482187 /nfs/dbraw/zinc/48/21/87/609482187.db2.gz JVPOIBFWKKSSEF-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cn2cccc(F)c2n1 ZINC000826278576 609482190 /nfs/dbraw/zinc/48/21/90/609482190.db2.gz JVPOIBFWKKSSEF-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)cc1O ZINC000826203856 609485688 /nfs/dbraw/zinc/48/56/88/609485688.db2.gz JEDSXYBZVLMQHY-UHFFFAOYSA-N -1 3 311.345 2.501 20 0 DFADHM COc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)cc1O ZINC000826203856 609485691 /nfs/dbraw/zinc/48/56/91/609485691.db2.gz JEDSXYBZVLMQHY-UHFFFAOYSA-N -1 3 311.345 2.501 20 0 DFADHM CC(C)Oc1ccc(N[C@H]2CCO[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000824329361 609492362 /nfs/dbraw/zinc/49/23/62/609492362.db2.gz NEGYUJREYCAIBJ-YPMHNXCESA-N -1 3 317.393 2.633 20 0 DFADHM CC(C)Oc1ccc(N[C@H]2CCO[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000824329361 609492363 /nfs/dbraw/zinc/49/23/63/609492363.db2.gz NEGYUJREYCAIBJ-YPMHNXCESA-N -1 3 317.393 2.633 20 0 DFADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826232023 609502681 /nfs/dbraw/zinc/50/26/81/609502681.db2.gz FEXHDNUTGGBMMQ-LBPRGKRZSA-N -1 3 307.357 2.633 20 0 DFADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826232023 609502682 /nfs/dbraw/zinc/50/26/82/609502682.db2.gz FEXHDNUTGGBMMQ-LBPRGKRZSA-N -1 3 307.357 2.633 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)[C@H](C)CC ZINC000825609382 609510842 /nfs/dbraw/zinc/51/08/42/609510842.db2.gz LTKXMGNFXNOIOI-MNOVXSKESA-N -1 3 318.377 2.853 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)[C@H](C)CC ZINC000825609382 609510843 /nfs/dbraw/zinc/51/08/43/609510843.db2.gz LTKXMGNFXNOIOI-MNOVXSKESA-N -1 3 318.377 2.853 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)[C@H](C)CC ZINC000825609381 609510872 /nfs/dbraw/zinc/51/08/72/609510872.db2.gz LTKXMGNFXNOIOI-GHMZBOCLSA-N -1 3 318.377 2.853 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)[C@H](C)CC ZINC000825609381 609510873 /nfs/dbraw/zinc/51/08/73/609510873.db2.gz LTKXMGNFXNOIOI-GHMZBOCLSA-N -1 3 318.377 2.853 20 0 DFADHM Fc1ccc(NCc2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000826375111 609511635 /nfs/dbraw/zinc/51/16/35/609511635.db2.gz AADYEHOXSWOVSH-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(NCc2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000826375111 609511636 /nfs/dbraw/zinc/51/16/36/609511636.db2.gz AADYEHOXSWOVSH-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM COc1ccccc1[C@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000826218489 609520006 /nfs/dbraw/zinc/52/00/06/609520006.db2.gz DHNKKGAPLSTPRN-NSHDSACASA-N -1 3 310.361 2.752 20 0 DFADHM COc1ccccc1[C@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000826218489 609520008 /nfs/dbraw/zinc/52/00/08/609520008.db2.gz DHNKKGAPLSTPRN-NSHDSACASA-N -1 3 310.361 2.752 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825049580 609521202 /nfs/dbraw/zinc/52/12/02/609521202.db2.gz 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Cc1ccnc(N[C@@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC000826312905 609523400 /nfs/dbraw/zinc/52/34/00/609523400.db2.gz RJUITQPOKOHEQV-GFCCVEGCSA-N -1 3 308.345 2.506 20 0 DFADHM Cc1ccnc(N[C@@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC000826312905 609523402 /nfs/dbraw/zinc/52/34/02/609523402.db2.gz RJUITQPOKOHEQV-GFCCVEGCSA-N -1 3 308.345 2.506 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1cccc(C)c1F ZINC000826184669 609524240 /nfs/dbraw/zinc/52/42/40/609524240.db2.gz GSLMTZYYEBMBIB-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1cccc(C)c1F ZINC000826184669 609524242 /nfs/dbraw/zinc/52/42/42/609524242.db2.gz GSLMTZYYEBMBIB-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM Cc1c(Cl)cnc(N[C@H](C)Cc2ccco2)c1-c1nnn[n-]1 ZINC000826238363 609530108 /nfs/dbraw/zinc/53/01/08/609530108.db2.gz DOKVEXQGXZLULL-MRVPVSSYSA-N -1 3 318.768 2.860 20 0 DFADHM Cc1c(Cl)cnc(N[C@H](C)Cc2ccco2)c1-c1nn[n-]n1 ZINC000826238363 609530111 /nfs/dbraw/zinc/53/01/11/609530111.db2.gz DOKVEXQGXZLULL-MRVPVSSYSA-N -1 3 318.768 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2.601 20 0 DFADHM Cc1c(Cl)cnc(NC2CCSCC2)c1-c1nnn[n-]1 ZINC000826239909 609544581 /nfs/dbraw/zinc/54/45/81/609544581.db2.gz UVAIDMSUFYWOAT-UHFFFAOYSA-N -1 3 310.814 2.531 20 0 DFADHM Cc1c(Cl)cnc(NC2CCSCC2)c1-c1nn[n-]n1 ZINC000826239909 609544583 /nfs/dbraw/zinc/54/45/83/609544583.db2.gz UVAIDMSUFYWOAT-UHFFFAOYSA-N -1 3 310.814 2.531 20 0 DFADHM Cc1ccnc(NCCOC2CCCCCC2)c1-c1nnn[n-]1 ZINC000826314310 609557691 /nfs/dbraw/zinc/55/76/91/609557691.db2.gz QEQDQIQFTYZVHM-UHFFFAOYSA-N -1 3 316.409 2.721 20 0 DFADHM Cc1ccnc(NCCOC2CCCCCC2)c1-c1nn[n-]n1 ZINC000826314310 609557692 /nfs/dbraw/zinc/55/76/92/609557692.db2.gz QEQDQIQFTYZVHM-UHFFFAOYSA-N -1 3 316.409 2.721 20 0 DFADHM Cc1ccnc(N2CCC(C3CCCC3)CC2)c1-c1nnn[n-]1 ZINC000826310500 609561777 /nfs/dbraw/zinc/56/17/77/609561777.db2.gz XXZCCPUFGPQAHA-UHFFFAOYSA-N -1 3 312.421 2.977 20 0 DFADHM Cc1ccnc(N2CCC(C3CCCC3)CC2)c1-c1nn[n-]n1 ZINC000826310500 609561779 /nfs/dbraw/zinc/56/17/79/609561779.db2.gz XXZCCPUFGPQAHA-UHFFFAOYSA-N -1 3 312.421 2.977 20 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/nfs/dbraw/zinc/57/81/71/609578171.db2.gz ZDGWGQPLJKLIPS-AAEUAGOBSA-N -1 3 300.410 2.975 20 0 DFADHM CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000825147892 609580051 /nfs/dbraw/zinc/58/00/51/609580051.db2.gz MATVYBINXZDKBI-MNOVXSKESA-N -1 3 322.800 2.593 20 0 DFADHM CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825147892 609580053 /nfs/dbraw/zinc/58/00/53/609580053.db2.gz MATVYBINXZDKBI-MNOVXSKESA-N -1 3 322.800 2.593 20 0 DFADHM Cc1ccnc(N[C@H](c2cccnc2)C2CC2)c1-c1nnn[n-]1 ZINC000826312200 609583620 /nfs/dbraw/zinc/58/36/20/609583620.db2.gz XZAKIRJZLBAOIL-AWEZNQCLSA-N -1 3 307.361 2.528 20 0 DFADHM Cc1ccnc(N[C@H](c2cccnc2)C2CC2)c1-c1nn[n-]n1 ZINC000826312200 609583622 /nfs/dbraw/zinc/58/36/22/609583622.db2.gz XZAKIRJZLBAOIL-AWEZNQCLSA-N -1 3 307.361 2.528 20 0 DFADHM C[C@H]1CC(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000824877633 609588223 /nfs/dbraw/zinc/58/82/23/609588223.db2.gz ZKFUMTTZSFFLMB-VXGBXAGGSA-N -1 3 313.405 2.902 20 0 DFADHM C[C@H]1CC(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000824877633 609588225 /nfs/dbraw/zinc/58/82/25/609588225.db2.gz ZKFUMTTZSFFLMB-VXGBXAGGSA-N -1 3 313.405 2.902 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000825051493 609591209 /nfs/dbraw/zinc/59/12/09/609591209.db2.gz QDVPWXKPFIRDET-KTKRTIGZSA-N -1 3 304.325 2.795 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000825051493 609591211 /nfs/dbraw/zinc/59/12/11/609591211.db2.gz QDVPWXKPFIRDET-KTKRTIGZSA-N -1 3 304.325 2.795 20 0 DFADHM CCN(C(=O)C1=CCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367189 609599392 /nfs/dbraw/zinc/59/93/92/609599392.db2.gz KNBDRQJJBFMKMP-UHFFFAOYSA-N -1 3 303.753 2.593 20 0 DFADHM CCN(C(=O)C1=CCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367189 609599395 /nfs/dbraw/zinc/59/93/95/609599395.db2.gz KNBDRQJJBFMKMP-UHFFFAOYSA-N -1 3 303.753 2.593 20 0 DFADHM C[C@H](C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)C1CC1 ZINC000824052174 609612800 /nfs/dbraw/zinc/61/28/00/609612800.db2.gz LYKPQCCVQUSDEP-QMMMGPOBSA-N -1 3 306.753 2.609 20 0 DFADHM C[C@H](C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)C1CC1 ZINC000824052174 609612801 /nfs/dbraw/zinc/61/28/01/609612801.db2.gz LYKPQCCVQUSDEP-QMMMGPOBSA-N -1 3 306.753 2.609 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000825049339 609638934 /nfs/dbraw/zinc/63/89/34/609638934.db2.gz AVTCVMGSMJVSSI-QXMHVHEDSA-N -1 3 316.361 2.535 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000825049339 609638935 /nfs/dbraw/zinc/63/89/35/609638935.db2.gz AVTCVMGSMJVSSI-QXMHVHEDSA-N -1 3 316.361 2.535 20 0 DFADHM [O-]c1cc(F)cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278313663 214085249 /nfs/dbraw/zinc/08/52/49/214085249.db2.gz FJJBPRDUKUBHAV-ZWNOBZJWSA-N -1 3 307.287 2.667 20 0 DFADHM C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccccc2[O-])CC1=O ZINC000096589842 185384438 /nfs/dbraw/zinc/38/44/38/185384438.db2.gz CYPSDHRRRXXZQA-UKRRQHHQSA-N -1 3 324.380 2.940 20 0 DFADHM CCCN(CC(=O)OC)Cc1cccc([O-])c1Br ZINC000459279238 299073008 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CCOC(=O)c1ncc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)[n-]1 ZINC000592793040 398485744 /nfs/dbraw/zinc/48/57/44/398485744.db2.gz LJNDSZQAJPATJI-RYUDHWBXSA-N -1 3 305.378 2.741 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)c[n-]1 ZINC000592793040 398485746 /nfs/dbraw/zinc/48/57/46/398485746.db2.gz LJNDSZQAJPATJI-RYUDHWBXSA-N -1 3 305.378 2.741 20 0 DFADHM CC(C)(C)OC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000083501965 192370843 /nfs/dbraw/zinc/37/08/43/192370843.db2.gz NACUVRMDJCSJFW-UHFFFAOYSA-N -1 3 304.343 2.544 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CC(=O)OC)c1 ZINC000091030071 398503225 /nfs/dbraw/zinc/50/32/25/398503225.db2.gz HXYFZYDZXWWJTD-CYBMUJFWSA-N -1 3 305.374 2.512 20 0 DFADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000068466085 398505250 /nfs/dbraw/zinc/50/52/50/398505250.db2.gz QNVOYHNEUKWXJF-RYUDHWBXSA-N -1 3 306.406 2.549 20 0 DFADHM COc1ccc([C@@H](NC(=O)c2ccc3n[n-]nc3c2)C2CC2)cc1 ZINC000031258232 398513821 /nfs/dbraw/zinc/51/38/21/398513821.db2.gz 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COC[C@@H](NCc1cccc([O-])c1Br)C(C)C ZINC000315019776 398523305 /nfs/dbraw/zinc/52/33/05/398523305.db2.gz LDIQXEMTIUGDKL-LLVKDONJSA-N -1 3 302.212 2.915 20 0 DFADHM COC(=O)c1cc(C(=O)[N-]c2nnc(C(C)C)s2)c(C)o1 ZINC000596887124 398523331 /nfs/dbraw/zinc/52/33/31/398523331.db2.gz YCKSELXYTMVTIV-UHFFFAOYSA-N -1 3 309.347 2.602 20 0 DFADHM CCC[C@@](C)(NC(=O)c1cc(SC)ccc1[O-])C(=O)OC ZINC000596894465 398524629 /nfs/dbraw/zinc/52/46/29/398524629.db2.gz XHTBXMHDYUQILA-OAHLLOKOSA-N -1 3 311.403 2.576 20 0 DFADHM O=C(Nc1cnn(-c2ccncc2)c1)c1ccc(Cl)cc1[O-] ZINC000589078575 398525730 /nfs/dbraw/zinc/52/57/30/398525730.db2.gz XKMLPKPNZNZAAP-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM COc1cc(C(=O)NC[C@@H](C)c2c(C)noc2C)ccc1[O-] ZINC000272643318 210048081 /nfs/dbraw/zinc/04/80/81/210048081.db2.gz OFXQUJNJTFMURM-SECBINFHSA-N -1 3 304.346 2.539 20 0 DFADHM CCOc1ccc(OCCN2CCC(CC(=O)[O-])CC2)cc1 ZINC000316360622 398530989 /nfs/dbraw/zinc/53/09/89/398530989.db2.gz KFVDTEPIDHZNEJ-UHFFFAOYSA-N -1 3 307.390 2.651 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCc2ccccc2F)c1 ZINC000032406016 398531045 /nfs/dbraw/zinc/53/10/45/398531045.db2.gz IIEVBMRGVPCGKS-UHFFFAOYSA-N -1 3 311.353 2.794 20 0 DFADHM COc1cc(C(=O)N2CCO[C@H](c3cccs3)C2)ccc1[O-] ZINC000272638780 210043665 /nfs/dbraw/zinc/04/36/65/210043665.db2.gz NDUIXLVNIOLRIU-AWEZNQCLSA-N -1 3 319.382 2.676 20 0 DFADHM C[C@@H](O)C1CCN(c2c(C(=O)[O-])cnc3ccccc32)CC1 ZINC000318485778 398538335 /nfs/dbraw/zinc/53/83/35/398538335.db2.gz BGJZJOYALZYCPZ-LLVKDONJSA-N -1 3 300.358 2.530 20 0 DFADHM COC[C@]1(C(=O)[O-])CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000319234273 398541542 /nfs/dbraw/zinc/54/15/42/398541542.db2.gz VXAZLSIPHBHYNX-AWEZNQCLSA-N -1 3 317.307 2.629 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000319234274 398541242 /nfs/dbraw/zinc/54/12/42/398541242.db2.gz VXAZLSIPHBHYNX-CQSZACIVSA-N -1 3 317.307 2.629 20 0 DFADHM COc1cc(OC)c(C(=O)Nc2ccc(C)cc2[O-])cc1OC ZINC000068988906 398541995 /nfs/dbraw/zinc/54/19/95/398541995.db2.gz VRXZVZGDOUAWOI-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM COCC1(C)CN(Cc2cccc([O-])c2Br)C1 ZINC000459621764 299150168 /nfs/dbraw/zinc/15/01/68/299150168.db2.gz LUUCCQGOSCXJEC-UHFFFAOYSA-N -1 3 300.196 2.623 20 0 DFADHM COc1cccc(C(=O)NC[C@@H](C)N(C)c2ccccc2)c1[O-] ZINC000078355426 282592619 /nfs/dbraw/zinc/59/26/19/282592619.db2.gz TYUBEQLCOCAWDE-CYBMUJFWSA-N -1 3 314.385 2.656 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)CCCc2cccnc2)n1 ZINC000459632064 299152117 /nfs/dbraw/zinc/15/21/17/299152117.db2.gz DDFZVXIHQQDARJ-TZMCWYRMSA-N -1 3 300.406 2.948 20 0 DFADHM Cc1cccc(C(=O)N(C)CCOc2ccccc2F)c1[O-] ZINC000078572608 282596373 /nfs/dbraw/zinc/59/63/73/282596373.db2.gz AFHUPZMIKZHYPG-UHFFFAOYSA-N -1 3 303.333 2.991 20 0 DFADHM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1c([O-])cccc1O ZINC000092106369 398560064 /nfs/dbraw/zinc/56/00/64/398560064.db2.gz BNKMWMWDUBFLTC-IUCAKERBSA-N -1 3 303.280 2.949 20 0 DFADHM O=c1cc(CSCc2cc3n(n2)CCC3)nc(C2CC2)[n-]1 ZINC000593198676 398569905 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ZINC000080410588 192155952 /nfs/dbraw/zinc/15/59/52/192155952.db2.gz OPHDBHZBIATORG-UHFFFAOYSA-N -1 3 324.340 2.747 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)Cc2ccc(C)o2)c([O-])c1 ZINC000092551995 398584745 /nfs/dbraw/zinc/58/47/45/398584745.db2.gz QYACGISLOLRUCZ-UHFFFAOYSA-N -1 3 303.314 2.652 20 0 DFADHM CSCCO[N-]C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000279996885 215299364 /nfs/dbraw/zinc/29/93/64/215299364.db2.gz MCNDMZMJEBQICW-UHFFFAOYSA-N -1 3 307.415 2.549 20 0 DFADHM COC(=O)c1ccc([N-]C(=O)c2cc(C(C)C)no2)c(F)c1 ZINC000070851570 398600739 /nfs/dbraw/zinc/60/07/39/398600739.db2.gz PDCXMZWKJONURD-UHFFFAOYSA-N -1 3 306.293 2.976 20 0 DFADHM Cc1n[nH]c(C)c1[C@H](C)Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350552900 398606886 /nfs/dbraw/zinc/60/68/86/398606886.db2.gz VYFJHQYYBQSJQT-MRVPVSSYSA-N -1 3 323.360 2.694 20 0 DFADHM CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000593357564 398607313 /nfs/dbraw/zinc/60/73/13/398607313.db2.gz HXCSUIAZTSXLCE-CYBMUJFWSA-N -1 3 307.390 2.893 20 0 DFADHM C[C@@H](O)C1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000092970587 398611249 /nfs/dbraw/zinc/61/12/49/398611249.db2.gz MVYQBNVHTAYHFC-SNVBAGLBSA-N -1 3 314.223 2.748 20 0 DFADHM C[C@H]([N-]S(=O)(=O)CC1CCC1)c1noc(-c2ccccc2)n1 ZINC000093019554 398616206 /nfs/dbraw/zinc/61/62/06/398616206.db2.gz ZLFSURVHTPMHLF-NSHDSACASA-N -1 3 321.402 2.517 20 0 DFADHM CCS(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000414470830 295804280 /nfs/dbraw/zinc/80/42/80/295804280.db2.gz NIIKBCLQPKWCGU-UHFFFAOYSA-N -1 3 303.355 2.543 20 0 DFADHM CSCc1c2ccccc2oc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000590452368 398623614 /nfs/dbraw/zinc/62/36/14/398623614.db2.gz XGPRCUDRHPZGCS-UHFFFAOYSA-N -1 3 316.386 2.985 20 0 DFADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(O)cc2[O-])C12CCCC2 ZINC000150803309 186066735 /nfs/dbraw/zinc/06/67/35/186066735.db2.gz LUQAFNVDZLYTDD-CVEARBPZSA-N -1 3 319.401 2.908 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1c(F)cccc1Cl ZINC000078379913 304013730 /nfs/dbraw/zinc/01/37/30/304013730.db2.gz MEFWWUOCNLUVNY-UHFFFAOYSA-N -1 3 308.622 2.868 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1c(F)cccc1Cl ZINC000078379913 304013732 /nfs/dbraw/zinc/01/37/32/304013732.db2.gz MEFWWUOCNLUVNY-UHFFFAOYSA-N -1 3 308.622 2.868 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000152433919 186072575 /nfs/dbraw/zinc/07/25/75/186072575.db2.gz DOCWAIZGHTUWAR-ZIAGYGMSSA-N -1 3 304.296 2.711 20 0 DFADHM CCc1nc(CC(=O)N2CCCc3cccc([O-])c32)cs1 ZINC000155661500 186100463 /nfs/dbraw/zinc/10/04/63/186100463.db2.gz XIKVAAITJPJTMM-UHFFFAOYSA-N -1 3 302.399 2.933 20 0 DFADHM O=C(CSCC(F)(F)F)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590557757 398631054 /nfs/dbraw/zinc/63/10/54/398631054.db2.gz IQRSMABCRHUGPN-UHFFFAOYSA-N -1 3 305.281 2.503 20 0 DFADHM Cc1ccc([O-])c(CN(CCO)[C@H]2CCCc3ccccc32)n1 ZINC000093388377 398635277 /nfs/dbraw/zinc/63/52/77/398635277.db2.gz NAPNPEDFGYVRPN-SFHVURJKSA-N -1 3 312.413 2.968 20 0 DFADHM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)N(C)CC ZINC000072759138 398636190 /nfs/dbraw/zinc/63/61/90/398636190.db2.gz FLFYLIHRDFVBRW-UHFFFAOYSA-N -1 3 306.815 2.737 20 0 DFADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1cccc(OC)c1[O-] ZINC000106696489 282698799 /nfs/dbraw/zinc/69/87/99/282698799.db2.gz CZGCUCXAXLPHNG-ZDUSSCGKSA-N -1 3 307.390 2.822 20 0 DFADHM CCCN(C[C@H]1CCCCO1)C(=O)c1cc(OC)ccc1[O-] ZINC000106696087 282699083 /nfs/dbraw/zinc/69/90/83/282699083.db2.gz NCXQYFYPXAXJNU-CQSZACIVSA-N -1 3 307.390 2.822 20 0 DFADHM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000590610327 398639932 /nfs/dbraw/zinc/63/99/32/398639932.db2.gz IPOWCNYKTODDSN-BXUZGUMPSA-N -1 3 300.399 2.858 20 0 DFADHM O=C(CN[C@H](c1ccccc1)C1CC1)[N-]OCc1ccccc1 ZINC000179688004 186205563 /nfs/dbraw/zinc/20/55/63/186205563.db2.gz IWEUMKNDETYXKW-LJQANCHMSA-N -1 3 310.397 2.975 20 0 DFADHM Cc1ccc(OCCCC(=O)[N-]OC[C@@H]2CCOC2)c(C)c1 ZINC000188011688 186243575 /nfs/dbraw/zinc/24/35/75/186243575.db2.gz IWWPKFPVDDRATG-OAHLLOKOSA-N -1 3 307.390 2.547 20 0 DFADHM CCOC(=O)CC[C@@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000597455438 398644173 /nfs/dbraw/zinc/64/41/73/398644173.db2.gz XFZJEIQYFLWSTC-SNVBAGLBSA-N -1 3 311.403 2.576 20 0 DFADHM CCOC(=O)CC[C@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000597455437 398644518 /nfs/dbraw/zinc/64/45/18/398644518.db2.gz XFZJEIQYFLWSTC-JTQLQIEISA-N -1 3 311.403 2.576 20 0 DFADHM Cc1c([O-])ccc2c(CN3CCO[C@@H]4CCC[C@@H]43)cc(=O)oc12 ZINC000265145953 186339421 /nfs/dbraw/zinc/33/94/21/186339421.db2.gz RMETXSAWDAYRRH-GOEBONIOSA-N -1 3 315.369 2.560 20 0 DFADHM CCC[C@@H](C(=O)Nc1ccc(Br)cc1[O-])N(C)C ZINC000093962209 398650935 /nfs/dbraw/zinc/65/09/35/398650935.db2.gz FCUYVNBPOIEVCA-NSHDSACASA-N -1 3 315.211 2.824 20 0 DFADHM CCNC(=O)c1ccc(NC(=O)c2cccc(CC)c2[O-])cc1 ZINC000094016230 398651902 /nfs/dbraw/zinc/65/19/02/398651902.db2.gz YDIZQNKKPGEFBP-UHFFFAOYSA-N -1 3 312.369 2.957 20 0 DFADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000072992931 398653785 /nfs/dbraw/zinc/65/37/85/398653785.db2.gz WCYLSNNCLKBIKW-QMMMGPOBSA-N -1 3 316.329 2.609 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)c1[O-] ZINC000116093540 282741661 /nfs/dbraw/zinc/74/16/61/282741661.db2.gz SQLHUAOCRCONFO-GXFFZTMASA-N -1 3 319.307 2.965 20 0 DFADHM COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cc(SC)ccc1[O-] ZINC000597529517 398656973 /nfs/dbraw/zinc/65/69/73/398656973.db2.gz MKKJPFFKLJYSPQ-GWCFXTLKSA-N -1 3 323.414 2.528 20 0 DFADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000171885690 198001097 /nfs/dbraw/zinc/00/10/97/198001097.db2.gz JQILJHJURYPELV-LBPRGKRZSA-N -1 3 322.405 2.686 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@](C)(O)[C@H](C)c2ccccc2)n1 ZINC000280087657 215366569 /nfs/dbraw/zinc/36/65/69/215366569.db2.gz LEIHOBWFZPCDEK-SJKOYZFVSA-N -1 3 300.358 2.589 20 0 DFADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000120236600 282783047 /nfs/dbraw/zinc/78/30/47/282783047.db2.gz DVTPDSOXZAYVLM-UHFFFAOYSA-N -1 3 321.389 2.574 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1SC ZINC000593624478 398663867 /nfs/dbraw/zinc/66/38/67/398663867.db2.gz ZJVXPPPOVSKNQA-MWLCHTKSSA-N -1 3 321.489 2.709 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000387888824 398667297 /nfs/dbraw/zinc/66/72/97/398667297.db2.gz QXBWZTGYUWPVKG-ZACQAIPSSA-N -1 3 303.402 2.938 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000387888821 398667529 /nfs/dbraw/zinc/66/75/29/398667529.db2.gz QXBWZTGYUWPVKG-BBWFWOEESA-N -1 3 303.402 2.938 20 0 DFADHM Cc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1[O-] ZINC000120923770 282796540 /nfs/dbraw/zinc/79/65/40/282796540.db2.gz FGMOQANKUOEJAY-HNNXBMFYSA-N -1 3 314.385 2.861 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2Cc3ccc(Cl)cc3C2)on1 ZINC000459762012 299185026 /nfs/dbraw/zinc/18/50/26/299185026.db2.gz LFFKZUXPSOAKAX-SNVBAGLBSA-N -1 3 305.765 2.979 20 0 DFADHM COC(=O)c1cnc(SCCOc2ccccc2C(C)=O)[n-]1 ZINC000277182010 213350543 /nfs/dbraw/zinc/35/05/43/213350543.db2.gz AHSINWOLUZXCKO-UHFFFAOYSA-N -1 3 320.370 2.570 20 0 DFADHM CCc1ccc(CS(=O)(=O)[N-]Cc2cc(C(C)C)no2)cc1 ZINC000681092122 545595706 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216132538 /nfs/dbraw/zinc/13/25/38/216132538.db2.gz LOMAIMOSDZLCEF-UHFFFAOYSA-N -1 3 317.776 2.651 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@H]1c1ccccn1 ZINC000055523372 398934121 /nfs/dbraw/zinc/93/41/21/398934121.db2.gz GKWBZQBCOWSZCS-QGZVFWFLSA-N -1 3 319.364 2.900 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000471865113 299310902 /nfs/dbraw/zinc/31/09/02/299310902.db2.gz WNDOETFRDZTOCK-HUUCEWRRSA-N -1 3 311.385 2.923 20 0 DFADHM O=C(NCCCc1c[nH]c2ccccc12)NCc1ncccc1[O-] ZINC000471860525 299311390 /nfs/dbraw/zinc/31/13/90/299311390.db2.gz MRZPQQKLARXGGJ-UHFFFAOYSA-N -1 3 324.384 2.701 20 0 DFADHM CN(C(=O)[C@H]1CCN(C(=O)c2ccccc2[O-])C1)c1ccccc1 ZINC000281253788 216188262 /nfs/dbraw/zinc/18/82/62/216188262.db2.gz XOGFWXXXCAYVGO-AWEZNQCLSA-N -1 3 324.380 2.517 20 0 DFADHM CC(C)c1cc([N-]C(=O)[C@H]2Oc3ccccc3O[C@H]2C)on1 ZINC000599243730 398942627 /nfs/dbraw/zinc/94/26/27/398942627.db2.gz MHBKJCXBAUGJCJ-BONVTDFDSA-N -1 3 302.330 2.965 20 0 DFADHM C[C@H]1C[C@H](C(=O)Nc2cc(Br)ccc2[O-])CCO1 ZINC000271972452 209350756 /nfs/dbraw/zinc/35/07/56/209350756.db2.gz HZLUGKXXRFBVGP-DTWKUNHWSA-N -1 3 314.179 2.908 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H]1Cc2ccccc21 ZINC000157409026 398954211 /nfs/dbraw/zinc/95/42/11/398954211.db2.gz OEYGYKHZRGETHN-CYBMUJFWSA-N -1 3 300.333 2.670 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)CCCSC)c2=O ZINC000281338721 216232123 /nfs/dbraw/zinc/23/21/23/216232123.db2.gz JTUGSVKGSKLLGE-UHFFFAOYSA-N -1 3 320.414 2.774 20 0 DFADHM CCOCCCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000191901777 200777530 /nfs/dbraw/zinc/77/75/30/200777530.db2.gz WPBBDOZDFNXAAG-UHFFFAOYSA-N -1 3 311.856 2.805 20 0 DFADHM CCc1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1 ZINC000006213773 181319862 /nfs/dbraw/zinc/31/98/62/181319862.db2.gz WHVVZJJCCXGRGO-UHFFFAOYSA-N -1 3 305.399 2.851 20 0 DFADHM Cc1cccc([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000159068889 398961889 /nfs/dbraw/zinc/96/18/89/398961889.db2.gz YBPLTWOEPALHFJ-LBPRGKRZSA-N -1 3 307.357 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2.907 20 0 DFADHM CCCn1cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cn1 ZINC000417604842 296034741 /nfs/dbraw/zinc/03/47/41/296034741.db2.gz VUAJCSRSNSHVDK-INIZCTEOSA-N -1 3 301.390 2.989 20 0 DFADHM CCCn1cc(CN[C@H](CCC(=O)[O-])c2ccccc2)cn1 ZINC000417604843 296034852 /nfs/dbraw/zinc/03/48/52/296034852.db2.gz VUAJCSRSNSHVDK-MRXNPFEDSA-N -1 3 301.390 2.989 20 0 DFADHM COc1ccc(Br)c(CN[C@@H](C)CCC(=O)[O-])c1 ZINC000417607234 296034985 /nfs/dbraw/zinc/03/49/85/296034985.db2.gz GQRQNNLXTURGHS-VIFPVBQESA-N -1 3 316.195 2.801 20 0 DFADHM COc1cc(-c2ccccc2)ccc1CNCCOCC(=O)[O-] ZINC000417620308 296036208 /nfs/dbraw/zinc/03/62/08/296036208.db2.gz JATSUWUMWMGHDM-UHFFFAOYSA-N -1 3 315.369 2.553 20 0 DFADHM COc1ccc(-c2ccccc2)cc1CNCCOCC(=O)[O-] ZINC000417619893 296036278 /nfs/dbraw/zinc/03/62/78/296036278.db2.gz IPXBLXBMKMBDFH-UHFFFAOYSA-N -1 3 315.369 2.553 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000193331316 201032640 /nfs/dbraw/zinc/03/26/40/201032640.db2.gz PPWOWNMKFZPJHG-SECBINFHSA-N -1 3 311.325 2.568 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C ZINC000193332480 201032856 /nfs/dbraw/zinc/03/28/56/201032856.db2.gz ZQRGGHLMMWAEIJ-SECBINFHSA-N -1 3 311.325 2.790 20 0 DFADHM CC(C)(C)OC(=O)c1cccc(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000417624233 296036440 /nfs/dbraw/zinc/03/64/40/296036440.db2.gz QJSGJQJBXKHWSQ-UKRRQHHQSA-N -1 3 317.385 2.761 20 0 DFADHM C[C@@H](CCC(=O)[O-])NCc1cccc(Br)c1F ZINC000417614911 296035667 /nfs/dbraw/zinc/03/56/67/296035667.db2.gz SMUUUXCOGGECQR-QMMMGPOBSA-N -1 3 304.159 2.931 20 0 DFADHM CCCCOc1cc(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)ccc1OC ZINC000417618511 296035943 /nfs/dbraw/zinc/03/59/43/296035943.db2.gz JSVFOPZFZQVQRK-HUUCEWRRSA-N -1 3 319.401 2.993 20 0 DFADHM CCCCOc1cc(CN[C@H]2C=C[C@H](C(=O)[O-])C2)ccc1OC ZINC000417618510 296035957 /nfs/dbraw/zinc/03/59/57/296035957.db2.gz JSVFOPZFZQVQRK-GJZGRUSLSA-N -1 3 319.401 2.993 20 0 DFADHM COC[C@@H](NCc1cccc(OCC2CCCCC2)c1)C(=O)[O-] ZINC000417631252 296036837 /nfs/dbraw/zinc/03/68/37/296036837.db2.gz RVPKNYRHPKFNAA-QGZVFWFLSA-N -1 3 321.417 2.835 20 0 DFADHM Cc1cc(Br)ccc1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417631431 296036859 /nfs/dbraw/zinc/03/68/59/296036859.db2.gz YVKUFEHCKKZNDB-GXFFZTMASA-N -1 3 310.191 2.876 20 0 DFADHM CCc1ccc(CNC[C@@H](Cc2cccc(OC)c2)C(=O)[O-])o1 ZINC000417654117 296038469 /nfs/dbraw/zinc/03/84/69/296038469.db2.gz UCRZWAVJHJCGLX-CQSZACIVSA-N -1 3 317.385 2.884 20 0 DFADHM COC(=O)CCc1ccc(NC([O-])=NOC2CCCC2)cc1 ZINC000271871802 209285415 /nfs/dbraw/zinc/28/54/15/209285415.db2.gz WMHLKDZKHGOMLO-UHFFFAOYSA-N -1 3 306.362 2.788 20 0 DFADHM COC(=O)CCc1ccc(NC(=O)[N-]OC2CCCC2)cc1 ZINC000271871802 209285418 /nfs/dbraw/zinc/28/54/18/209285418.db2.gz WMHLKDZKHGOMLO-UHFFFAOYSA-N -1 3 306.362 2.788 20 0 DFADHM CC[C@@H](CCNCc1cc(OC)cc2c1O[C@H](C)C2)C(=O)[O-] ZINC000417666853 296039426 /nfs/dbraw/zinc/03/94/26/296039426.db2.gz GSZWXMFNSCABRQ-NEPJUHHUSA-N -1 3 307.390 2.609 20 0 DFADHM CC[C@H](CCNCc1cc(OC)ccc1OC(F)F)C(=O)[O-] ZINC000417667160 296039638 /nfs/dbraw/zinc/03/96/38/296039638.db2.gz HRSQWBXTSQTCHH-SNVBAGLBSA-N -1 3 317.332 2.887 20 0 DFADHM O=C([O-])[C@@H]1CCCCN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000035298702 304105501 /nfs/dbraw/zinc/10/55/01/304105501.db2.gz AWZSXOVTCQAVCR-LBPRGKRZSA-N -1 3 311.765 2.550 20 0 DFADHM CO[C@@H](C(=O)Nc1cc(Br)ccc1[O-])C1CC1 ZINC000281482847 216332477 /nfs/dbraw/zinc/33/24/77/216332477.db2.gz HGMOGQKUOKHURV-LLVKDONJSA-N -1 3 300.152 2.518 20 0 DFADHM C[C@H](Oc1cccc2ccccc21)C(=O)[N-]C1=NCCS1 ZINC000193951828 201151495 /nfs/dbraw/zinc/15/14/95/201151495.db2.gz VDMHVJLSJRAIQP-NSHDSACASA-N -1 3 300.383 2.826 20 0 DFADHM CC(=O)Nc1ccc(/C=C\C(=O)[N-]OCc2ccccc2)cc1 ZINC000056681760 398985330 /nfs/dbraw/zinc/98/53/30/398985330.db2.gz VKSMKAKCJQNUJC-XFXZXTDPSA-N -1 3 310.353 2.906 20 0 DFADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473868756 299331778 /nfs/dbraw/zinc/33/17/78/299331778.db2.gz ZOVSRFXGFVEKMN-NXEZZACHSA-N -1 3 323.867 2.946 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC000078907134 398997649 /nfs/dbraw/zinc/99/76/49/398997649.db2.gz JFJYDGOYJHAPPW-UHFFFAOYSA-N -1 3 309.325 2.839 20 0 DFADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1cccc2c1OCO2 ZINC000195373678 201385988 /nfs/dbraw/zinc/38/59/88/201385988.db2.gz LHFSMGIYEPSZSJ-UHFFFAOYSA-N -1 3 320.295 2.527 20 0 DFADHM CNC(=O)c1ccc(NC([O-])=NOC2CCCC2)cc1Cl ZINC000271841014 209260130 /nfs/dbraw/zinc/26/01/30/209260130.db2.gz URNHHKDSRYNYLQ-UHFFFAOYSA-N -1 3 311.769 2.695 20 0 DFADHM CNC(=O)c1ccc(NC(=O)[N-]OC2CCCC2)cc1Cl ZINC000271841014 209260131 /nfs/dbraw/zinc/26/01/31/209260131.db2.gz URNHHKDSRYNYLQ-UHFFFAOYSA-N -1 3 311.769 2.695 20 0 DFADHM COCCOc1ccc(NC([O-])=NOC2CCCC2)cc1F ZINC000271817931 209242457 /nfs/dbraw/zinc/24/24/57/209242457.db2.gz PLXWVBMIWAKGRX-UHFFFAOYSA-N -1 3 312.341 2.847 20 0 DFADHM COCCOc1ccc(NC(=O)[N-]OC2CCCC2)cc1F ZINC000271817931 209242460 /nfs/dbraw/zinc/24/24/60/209242460.db2.gz PLXWVBMIWAKGRX-UHFFFAOYSA-N -1 3 312.341 2.847 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(=O)[n-]1 ZINC000057143003 399017674 /nfs/dbraw/zinc/01/76/74/399017674.db2.gz OZEVHLSKAVDTOG-SGIREYDYSA-N -1 3 319.449 2.506 20 0 DFADHM C[C@@H]1CCN(C(=O)[C@H]2CCc3cncn3C2)c2c([O-])cccc21 ZINC000613576410 399026716 /nfs/dbraw/zinc/02/67/16/399026716.db2.gz JMHAPPFRJXQHGT-OLZOCXBDSA-N -1 3 311.385 2.692 20 0 DFADHM COc1cc(CCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)on1 ZINC000613574805 399026910 /nfs/dbraw/zinc/02/69/10/399026910.db2.gz LHYCTDFZRGLMLZ-LLVKDONJSA-N -1 3 316.357 2.862 20 0 DFADHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1[O-] ZINC000057287787 399031103 /nfs/dbraw/zinc/03/11/03/399031103.db2.gz JRRNYSVBJHHHDW-AWEZNQCLSA-N -1 3 300.358 2.552 20 0 DFADHM O=C(CNC(=O)c1ccc(F)cc1)Nc1cc(Cl)ccc1[O-] ZINC000057289356 399031816 /nfs/dbraw/zinc/03/18/16/399031816.db2.gz PXECREBKLFVXJF-UHFFFAOYSA-N -1 3 322.723 2.553 20 0 DFADHM O=C(Nc1ccc(OC2CCCC2)nc1)c1ccc2n[n-]nc2c1 ZINC000171046081 399031918 /nfs/dbraw/zinc/03/19/18/399031918.db2.gz 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c1[n-][nH]c2ncnc(=N[C@H]3CCCc4cn(C5CCCC5)nc43)c1-2 ZINC000357026860 158351698 /nfs/dbraw/zinc/35/16/98/158351698.db2.gz NOJKEYRHINAZRQ-AWEZNQCLSA-N -1 3 323.404 2.528 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000358377734 158373931 /nfs/dbraw/zinc/37/39/31/158373931.db2.gz BIDXTRUOKJLBLS-UHFFFAOYSA-N -1 3 306.343 2.516 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCOC2)o1 ZINC000358594024 158391919 /nfs/dbraw/zinc/39/19/19/158391919.db2.gz BURVPRTXUVCGFD-ZBFHGGJFSA-N -1 3 321.398 2.644 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3CCSC[C@@H]3C)c(=O)c2c1 ZINC000286374206 292395222 /nfs/dbraw/zinc/39/52/22/292395222.db2.gz SHRCEEYFJCASRC-NSHDSACASA-N -1 3 302.399 2.826 20 0 DFADHM CCc1cc(C(=O)N2CCC([C@H]3CCOC3)CC2)ccc1[O-] ZINC000368279007 158626338 /nfs/dbraw/zinc/62/63/38/158626338.db2.gz KWVJBPYDHHVOHO-INIZCTEOSA-N -1 3 303.402 2.843 20 0 DFADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186278889 286934620 /nfs/dbraw/zinc/93/46/20/286934620.db2.gz CQIWZTGYARSLIA-VXGBXAGGSA-N -1 3 318.417 2.783 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccc3ncsc3c2)c[n-]1 ZINC000432009712 296859137 /nfs/dbraw/zinc/85/91/37/296859137.db2.gz YBTURFPMZOSHKT-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM CCCCCc1nnc(NC(=O)c2c[n-]c(C(=O)OC)c2)s1 ZINC000432416145 296877421 /nfs/dbraw/zinc/87/74/21/296877421.db2.gz PIEBVEWYVRZERS-UHFFFAOYSA-N -1 3 322.390 2.638 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCOC[C@@H]3C)nc2)n1 ZINC000432874035 296888499 /nfs/dbraw/zinc/88/84/99/296888499.db2.gz AHBRFVUHAPOHHR-SMDDNHRTSA-N -1 3 314.389 2.644 20 0 DFADHM CC(C)(C)c1ncc(C(=O)[N-]c2nc3ccc(F)cn3n2)s1 ZINC000129829577 196078870 /nfs/dbraw/zinc/07/88/70/196078870.db2.gz UDZYGFVGIOHCCS-UHFFFAOYSA-N -1 3 319.365 2.875 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@H]1c1ccncc1 ZINC000053794537 425888719 /nfs/dbraw/zinc/88/87/19/425888719.db2.gz NDCGUBCKHNIOCN-KRWDZBQOSA-N -1 3 319.364 2.900 20 0 DFADHM Cc1nc(C)c(CCC(=O)N[C@H](C)CCC(C)(C)C)c(=O)[n-]1 ZINC000130735656 196104943 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Cc1noc(C)c1[C@H](C)CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000132582874 196268278 /nfs/dbraw/zinc/26/82/78/196268278.db2.gz UMQRJSSLQUQWMU-RXMQYKEDSA-N -1 3 317.271 2.561 20 0 DFADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000132582874 196268279 /nfs/dbraw/zinc/26/82/79/196268279.db2.gz UMQRJSSLQUQWMU-RXMQYKEDSA-N -1 3 317.271 2.561 20 0 DFADHM CC1(C)C[C@H](NCc2cc(=O)oc3cc([O-])ccc23)C(C)(C)O1 ZINC000132594837 196269315 /nfs/dbraw/zinc/26/93/15/196269315.db2.gz FMLFHBPDWMDDIT-HNNXBMFYSA-N -1 3 317.385 2.934 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000132761333 196281814 /nfs/dbraw/zinc/28/18/14/196281814.db2.gz FQUNXSRMWVXKIZ-INIZCTEOSA-N -1 3 319.368 2.999 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000132761333 196281815 /nfs/dbraw/zinc/28/18/15/196281815.db2.gz FQUNXSRMWVXKIZ-INIZCTEOSA-N -1 3 319.368 2.999 20 0 DFADHM CCC(CC)C[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000134377879 196384036 /nfs/dbraw/zinc/38/40/36/196384036.db2.gz 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ZINC000669170394 543914786 /nfs/dbraw/zinc/91/47/86/543914786.db2.gz RCSBLQAIQMEMKQ-OAHLLOKOSA-N -1 3 305.403 2.536 20 0 DFADHM CC(C)(C)Cc1cc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)n[nH]1 ZINC000669180953 543916575 /nfs/dbraw/zinc/91/65/75/543916575.db2.gz RHAYZOYWSVQRDQ-UHFFFAOYSA-N -1 3 313.361 2.833 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2noc(C)n2)c1 ZINC000669296371 543930515 /nfs/dbraw/zinc/93/05/15/543930515.db2.gz UOKAFXZZWHOHLW-GFCCVEGCSA-N -1 3 319.386 2.783 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CCN(C)C[C@H]2C(C)C)c1 ZINC000669015879 543897870 /nfs/dbraw/zinc/89/78/70/543897870.db2.gz YXWOIDDCOWARQF-AWEZNQCLSA-N -1 3 308.447 2.526 20 0 DFADHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1cc(F)ccc1F ZINC000669695005 543984818 /nfs/dbraw/zinc/98/48/18/543984818.db2.gz CTQRKJJVSMHYCQ-SSDOTTSWSA-N -1 3 320.274 2.866 20 0 DFADHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1cc(F)ccc1F ZINC000669695005 543984821 /nfs/dbraw/zinc/98/48/21/543984821.db2.gz CTQRKJJVSMHYCQ-SSDOTTSWSA-N -1 3 320.274 2.866 20 0 DFADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1cc(F)ccc1F ZINC000669695005 543984824 /nfs/dbraw/zinc/98/48/24/543984824.db2.gz CTQRKJJVSMHYCQ-SSDOTTSWSA-N -1 3 320.274 2.866 20 0 DFADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000669706443 543986788 /nfs/dbraw/zinc/98/67/88/543986788.db2.gz KPZKAYAUZFRFMF-RHSMWYFYSA-N -1 3 310.332 2.557 20 0 DFADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000669706443 543986790 /nfs/dbraw/zinc/98/67/90/543986790.db2.gz KPZKAYAUZFRFMF-RHSMWYFYSA-N -1 3 310.332 2.557 20 0 DFADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000669706443 543986792 /nfs/dbraw/zinc/98/67/92/543986792.db2.gz KPZKAYAUZFRFMF-RHSMWYFYSA-N -1 3 310.332 2.557 20 0 DFADHM Cn1cnc2cc(CN[C@@H](CC(=O)[O-])c3cccs3)ccc21 ZINC000671162701 544057983 /nfs/dbraw/zinc/05/79/83/544057983.db2.gz UURBPXIUYOHIMZ-ZDUSSCGKSA-N -1 3 315.398 2.940 20 0 DFADHM CC(C)(C)n1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1ccoc1 ZINC000671673308 544096262 /nfs/dbraw/zinc/09/62/62/544096262.db2.gz ABMCJTBBFUTBMY-CYBMUJFWSA-N -1 3 323.418 2.587 20 0 DFADHM CC(C)([N-]S(=O)(=O)CCc1cccc(Cl)c1)C(F)F ZINC000671685031 544097509 /nfs/dbraw/zinc/09/75/09/544097509.db2.gz KPJWHYTZYSENEC-UHFFFAOYSA-N -1 3 311.781 2.846 20 0 DFADHM O=S(=O)([N-][C@H]1CCCC1(F)F)c1cccc2cccnc21 ZINC000672429533 544137198 /nfs/dbraw/zinc/13/71/98/544137198.db2.gz LGGPBPHKDWWWMF-LBPRGKRZSA-N -1 3 312.341 2.701 20 0 DFADHM O=C([N-]c1nn2cnnc2s1)c1ccc(C(F)(F)F)s1 ZINC000672716933 544148344 /nfs/dbraw/zinc/14/83/44/544148344.db2.gz STIGYFPHRHFGBF-UHFFFAOYSA-N -1 3 319.293 2.518 20 0 DFADHM O=c1[n-]c(-c2cn(Cc3ccccc3)nn2)nc2cccc(F)c12 ZINC000672773403 544152422 /nfs/dbraw/zinc/15/24/22/544152422.db2.gz KLBCNIIBFMMPGB-UHFFFAOYSA-N -1 3 321.315 2.781 20 0 DFADHM CCOc1ncc(C)cc1NC([O-])=NOCCC(F)(F)F ZINC000297350543 227050301 /nfs/dbraw/zinc/05/03/01/227050301.db2.gz JHAOXDOFYYECOP-UHFFFAOYSA-N -1 3 307.272 2.794 20 0 DFADHM CCOc1ncc(C)cc1NC(=O)[N-]OCCC(F)(F)F ZINC000297350543 227050304 /nfs/dbraw/zinc/05/03/04/227050304.db2.gz JHAOXDOFYYECOP-UHFFFAOYSA-N -1 3 307.272 2.794 20 0 DFADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCCCN1 ZINC000673477576 544181569 /nfs/dbraw/zinc/18/15/69/544181569.db2.gz VAQCFHFDWQCIOG-UHFFFAOYSA-N -1 3 312.369 2.712 20 0 DFADHM COCc1ccccc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000673586542 544185383 /nfs/dbraw/zinc/18/53/83/544185383.db2.gz LFFNAWJZLSOUKH-UHFFFAOYSA-N -1 3 319.373 2.689 20 0 DFADHM Cc1cc([C@@H](C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)ccc1F ZINC000434337197 296933879 /nfs/dbraw/zinc/93/38/79/296933879.db2.gz VQJFTVKLSHANKX-SNVBAGLBSA-N -1 3 317.364 2.666 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H](n2cccn2)C1 ZINC000291198131 222216236 /nfs/dbraw/zinc/21/62/36/222216236.db2.gz LWGLHYDPDCEJTH-HNNXBMFYSA-N -1 3 311.385 2.555 20 0 DFADHM CON(CC(=O)[N-]c1cc(C)no1)Cc1ccc(Cl)cc1 ZINC000291329246 222318021 /nfs/dbraw/zinc/31/80/21/222318021.db2.gz VQJSALSHQDDLEH-UHFFFAOYSA-N -1 3 309.753 2.639 20 0 DFADHM O=C([N-][C@H](CO)C1CCCC1)C(F)(F)c1c(F)cccc1F 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Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@H]2c2cccc(F)c2)on1 ZINC000674013016 544213701 /nfs/dbraw/zinc/21/37/01/544213701.db2.gz JGKMKAFHZMKXKN-RISCZKNCSA-N -1 3 303.337 2.896 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2)s1 ZINC000674343329 544232857 /nfs/dbraw/zinc/23/28/57/544232857.db2.gz MAEFVMZJBMZLPK-DZGCQCFKSA-N -1 3 322.455 2.768 20 0 DFADHM CCc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2)c1[O-] ZINC000674361283 544235293 /nfs/dbraw/zinc/23/52/93/544235293.db2.gz HCIQKLOGTDQMNC-OAHLLOKOSA-N -1 3 310.397 2.963 20 0 DFADHM O=c1[n-]c(CN2C[C@@H]3CCC[C@@H]32)nc2c1cnn2-c1ccccc1 ZINC000674388663 544237622 /nfs/dbraw/zinc/23/76/22/544237622.db2.gz MEHXNLPTDVRDOH-WFASDCNBSA-N -1 3 321.384 2.505 20 0 DFADHM CCN1C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])[C@@H](C)C1 ZINC000674865464 544271519 /nfs/dbraw/zinc/27/15/19/544271519.db2.gz GPEQHJKLTXFFMN-KWQFWETISA-N -1 3 317.216 2.769 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c([O-])c1 ZINC000675041136 544282591 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JVYATQNZLMDWBZ-ONEGZZNKSA-N -1 3 319.279 2.717 20 0 DFADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]c1nncn1C ZINC000162996991 426086578 /nfs/dbraw/zinc/08/65/78/426086578.db2.gz FSUGCGYFQKTUPD-SSDOTTSWSA-N -1 3 315.160 2.528 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000134939155 426201119 /nfs/dbraw/zinc/20/11/19/426201119.db2.gz KNYVBRJIXJXOSD-VIFPVBQESA-N -1 3 300.380 2.630 20 0 DFADHM CC(C)c1nc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cs1 ZINC000170669393 426144004 /nfs/dbraw/zinc/14/40/04/426144004.db2.gz IXTKYHWBISHWBI-UHFFFAOYSA-N -1 3 305.285 2.656 20 0 DFADHM CC(C)c1nc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cs1 ZINC000170669393 426144006 /nfs/dbraw/zinc/14/40/06/426144006.db2.gz IXTKYHWBISHWBI-UHFFFAOYSA-N -1 3 305.285 2.656 20 0 DFADHM CC(C)[C@H](C)CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000170778384 426150253 /nfs/dbraw/zinc/15/02/53/426150253.db2.gz MJXKCVVNYZFYSD-SNVBAGLBSA-N -1 3 316.398 2.818 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccsc3C2)c1 ZINC000130246082 426152831 /nfs/dbraw/zinc/15/28/31/426152831.db2.gz DIBVGMRHTVUUQF-UHFFFAOYSA-N -1 3 316.382 2.611 20 0 DFADHM CNC(=O)CCCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000338416231 268673089 /nfs/dbraw/zinc/67/30/89/268673089.db2.gz RKQUUNICYIHYNP-UHFFFAOYSA-N -1 3 318.295 2.656 20 0 DFADHM Cc1cccc(C(=O)Nc2cccc(-c3nncn3C)c2)c1[O-] ZINC000078452893 426170044 /nfs/dbraw/zinc/17/00/44/426170044.db2.gz PPGPNHGSSMDFGZ-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM CN(C(=O)c1ccccc1[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000115726871 426171674 /nfs/dbraw/zinc/17/16/74/426171674.db2.gz OESBNGMJCYQHKO-INIZCTEOSA-N -1 3 324.380 2.660 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000116092452 426179003 /nfs/dbraw/zinc/17/90/03/426179003.db2.gz LXHJLYXTNDUBSV-HZMBPMFUSA-N -1 3 319.307 2.965 20 0 DFADHM Cc1nc(C)c(CCC(=O)NC(C)(C)CC(C)(C)C)c(=O)[n-]1 ZINC000078728378 426182518 /nfs/dbraw/zinc/18/25/18/426182518.db2.gz RHKIMTKRVHCYCL-UHFFFAOYSA-N -1 3 307.438 2.650 20 0 DFADHM COC(=O)c1occc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000078768155 426184391 /nfs/dbraw/zinc/18/43/91/426184391.db2.gz YLEMBJHFBINSJF-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(F)cc1 ZINC000078776035 426185512 /nfs/dbraw/zinc/18/55/12/426185512.db2.gz PGXAZJNGHBPBHA-UHFFFAOYSA-N -1 3 303.337 2.767 20 0 DFADHM CCc1noc([C@H](C)Sc2n[n-]c(-c3ccccn3)n2)n1 ZINC000117113511 426206355 /nfs/dbraw/zinc/20/63/55/426206355.db2.gz XERZWSDGQJXKAS-QMMMGPOBSA-N -1 3 302.363 2.665 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000135547871 426222700 /nfs/dbraw/zinc/22/27/00/426222700.db2.gz ZABGFJOJJAJEOG-UHFFFAOYSA-N -1 3 307.357 2.605 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000135547871 426222703 /nfs/dbraw/zinc/22/27/03/426222703.db2.gz ZABGFJOJJAJEOG-UHFFFAOYSA-N -1 3 307.357 2.605 20 0 DFADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1Cl ZINC000135560943 426222708 /nfs/dbraw/zinc/22/27/08/426222708.db2.gz XNLMVJDKCVSWQO-UHFFFAOYSA-N -1 3 313.748 2.696 20 0 DFADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1Cl ZINC000135560943 426222711 /nfs/dbraw/zinc/22/27/11/426222711.db2.gz XNLMVJDKCVSWQO-UHFFFAOYSA-N -1 3 313.748 2.696 20 0 DFADHM O=C(NCc1nccn1CCc1ccccc1)c1ccccc1[O-] ZINC000081929522 426226995 /nfs/dbraw/zinc/22/69/95/426226995.db2.gz MQVDFRKDGVAAEI-UHFFFAOYSA-N -1 3 321.380 2.761 20 0 DFADHM Cc1c([O-])ccc2c(CN3CCSC[C@@H]3C)cc(=O)oc12 ZINC000172591723 426228207 /nfs/dbraw/zinc/22/82/07/426228207.db2.gz UOPYBESIWJEFRC-JTQLQIEISA-N -1 3 305.399 2.744 20 0 DFADHM CCc1nnsc1C(=O)[N-]c1ncnc2oc(C)c(C)c21 ZINC000118199409 426229426 /nfs/dbraw/zinc/22/94/26/426229426.db2.gz UYKFJXAUSXYKMS-UHFFFAOYSA-N -1 3 303.347 2.506 20 0 DFADHM COc1cccc(C(=O)N2CCOc3cc(F)ccc32)c1[O-] ZINC000118279509 426231130 /nfs/dbraw/zinc/23/11/30/426231130.db2.gz LRWOXVIHYYBFQA-UHFFFAOYSA-N -1 3 303.289 2.579 20 0 DFADHM C[C@H](CNC(=O)c1ccc(O)cc1[O-])Oc1ccccc1Cl ZINC000172868069 426231764 /nfs/dbraw/zinc/23/17/64/426231764.db2.gz MOQIHTIZTDWSPR-SNVBAGLBSA-N -1 3 321.760 2.949 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]2CC[C@@H]1O2)c1c(Cl)cccc1Cl ZINC000151033123 426274473 /nfs/dbraw/zinc/27/44/73/426274473.db2.gz BOUYUCDCCJODBH-ONOSFVFSSA-N -1 3 322.213 2.592 20 0 DFADHM CN(CC[N-]S(=O)(=O)c1cc2ccccc2o1)C1CCCC1 ZINC000084937810 426247742 /nfs/dbraw/zinc/24/77/42/426247742.db2.gz AAVJCILVOLCCPZ-UHFFFAOYSA-N -1 3 322.430 2.586 20 0 DFADHM Cc1cccc(C[N-]S(=O)(=O)c2cc3ccccc3o2)n1 ZINC000084936886 426248111 /nfs/dbraw/zinc/24/81/11/426248111.db2.gz DPLPKUYXOUYCKL-UHFFFAOYSA-N -1 3 302.355 2.615 20 0 DFADHM O=c1[n-]c(=O)n(CCCc2cccc3ccccc32)cc1Cl ZINC000085253885 426248914 /nfs/dbraw/zinc/24/89/14/426248914.db2.gz JBYIZGVCZDEBKW-UHFFFAOYSA-N -1 3 314.772 2.976 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1ccccc1Br ZINC000339120941 268759160 /nfs/dbraw/zinc/75/91/60/268759160.db2.gz PTOJJMYLRXLMEG-VHSXEESVSA-N -1 3 322.199 2.618 20 0 DFADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000086515522 426260281 /nfs/dbraw/zinc/26/02/81/426260281.db2.gz JXPSUIJTKWNPPW-UHFFFAOYSA-N -1 3 323.336 2.599 20 0 DFADHM C[C@@]1(C(=O)[O-])CCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000086779123 426260790 /nfs/dbraw/zinc/26/07/90/426260790.db2.gz NLBFIAJHPYRHHJ-CYBMUJFWSA-N -1 3 303.280 2.882 20 0 DFADHM O=C(CCCNC(=O)c1ccsc1)Nc1cc(F)ccc1[O-] ZINC000174875034 426266952 /nfs/dbraw/zinc/26/69/52/426266952.db2.gz DNBREDRGOUVTOH-UHFFFAOYSA-N -1 3 322.361 2.742 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CCC3(CCCC3)CC2)c(=O)[n-]1 ZINC000150912642 426267441 /nfs/dbraw/zinc/26/74/41/426267441.db2.gz SPNYYXTUCPYGOX-UHFFFAOYSA-N -1 3 317.433 2.502 20 0 DFADHM COc1cccc(C(=O)NCc2nc(C3CC3)cs2)c1[O-] ZINC000151020408 426273006 /nfs/dbraw/zinc/27/30/06/426273006.db2.gz BKJGFGXVBMPRFZ-UHFFFAOYSA-N -1 3 304.371 2.665 20 0 DFADHM O=C(NCCCCNc1ccccn1)c1cc(F)ccc1[O-] ZINC000080024836 426209487 /nfs/dbraw/zinc/20/94/87/426209487.db2.gz ZYXHZTRUKQMUJQ-UHFFFAOYSA-N -1 3 303.337 2.548 20 0 DFADHM CCO[C@@H](CCNC(=O)c1ccc2n[n-]nc2c1)C1CCCC1 ZINC000080017362 426210004 /nfs/dbraw/zinc/21/00/04/426210004.db2.gz FDVFULMWDLVHND-INIZCTEOSA-N -1 3 316.405 2.673 20 0 DFADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc(C(F)(F)F)c1 ZINC000171802766 426212888 /nfs/dbraw/zinc/21/28/88/426212888.db2.gz QTJYJXFZDPBPAN-NSHDSACASA-N -1 3 309.309 2.626 20 0 DFADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000117374575 426213097 /nfs/dbraw/zinc/21/30/97/426213097.db2.gz BNNKKNDYGSNIDY-WDEREUQCSA-N -1 3 321.414 2.917 20 0 DFADHM CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000117398882 426214993 /nfs/dbraw/zinc/21/49/93/426214993.db2.gz YUVMVYBAGYMDBW-AWEZNQCLSA-N -1 3 315.373 2.613 20 0 DFADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2C2CCCCC2)c(=O)[n-]1 ZINC000080375857 426215035 /nfs/dbraw/zinc/21/50/35/426215035.db2.gz GRILRJGHCHJPTK-MRXNPFEDSA-N -1 3 317.433 2.501 20 0 DFADHM CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(OC)cc1[O-] ZINC000135416741 426216438 /nfs/dbraw/zinc/21/64/38/426216438.db2.gz ALKBAGCZFZKJRH-CQSZACIVSA-N -1 3 320.389 2.521 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cncc3ccccc32)n[n-]1 ZINC000119472838 426291095 /nfs/dbraw/zinc/29/10/95/426291095.db2.gz MDUNRUVUSBIJAX-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cncc3ccccc32)[n-]n1 ZINC000119472838 426291096 /nfs/dbraw/zinc/29/10/96/426291096.db2.gz MDUNRUVUSBIJAX-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM COc1cccc([C@H]2CN(C(=O)c3ccccc3[O-])CCO2)c1 ZINC000151356339 426291505 /nfs/dbraw/zinc/29/15/05/426291505.db2.gz ZRHHLWMQXIVYKC-QGZVFWFLSA-N -1 3 313.353 2.615 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000152346556 426339488 /nfs/dbraw/zinc/33/94/88/426339488.db2.gz OZFNVYYIAUZVBS-SNVBAGLBSA-N -1 3 324.229 2.697 20 0 DFADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cnn[n-]1 ZINC000175393895 426302248 /nfs/dbraw/zinc/30/22/48/426302248.db2.gz GBJVWQBHLZRVFM-UHFFFAOYSA-N -1 3 313.361 2.576 20 0 DFADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1c[n-]nn1 ZINC000175393895 426302250 /nfs/dbraw/zinc/30/22/50/426302250.db2.gz GBJVWQBHLZRVFM-UHFFFAOYSA-N -1 3 313.361 2.576 20 0 DFADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cn[n-]n1 ZINC000175393895 426302253 /nfs/dbraw/zinc/30/22/53/426302253.db2.gz GBJVWQBHLZRVFM-UHFFFAOYSA-N -1 3 313.361 2.576 20 0 DFADHM Cc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1[O-] ZINC000119796446 426302320 /nfs/dbraw/zinc/30/23/20/426302320.db2.gz YSDNCWCGJMTYGT-IMJJTQAJSA-N -1 3 301.386 2.778 20 0 DFADHM CCCN(CCN(C)C)C(=O)c1ccc2ccccc2c1[O-] ZINC000119869662 426303835 /nfs/dbraw/zinc/30/38/35/426303835.db2.gz ICFZCRRIAJDPHM-UHFFFAOYSA-N -1 3 300.402 2.959 20 0 DFADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1F ZINC000175444351 426304521 /nfs/dbraw/zinc/30/45/21/426304521.db2.gz WCIMLZAPCLNSPJ-ZBFHGGJFSA-N -1 3 321.373 2.634 20 0 DFADHM Cc1cccc(C(=O)N(C)Cc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000175452047 426306288 /nfs/dbraw/zinc/30/62/88/426306288.db2.gz XPCIPDYLYNKEBH-JOCHJYFZSA-N -1 3 317.410 2.710 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC000175461979 426307337 /nfs/dbraw/zinc/30/73/37/426307337.db2.gz NJCAMSCOGUYWOY-BLLLJJGKSA-N -1 3 307.390 2.582 20 0 DFADHM COc1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc(OC)c1[O-] ZINC000120519500 426311915 /nfs/dbraw/zinc/31/19/15/426311915.db2.gz OYHIKXZGSSPJQJ-DGCLKSJQSA-N -1 3 305.374 2.814 20 0 DFADHM C[C@H]1CCC[C@H](CC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1 ZINC000120654090 426313263 /nfs/dbraw/zinc/31/32/63/426313263.db2.gz IRBPOBLRFQUBAQ-JSGCOSHPSA-N -1 3 313.405 2.945 20 0 DFADHM C[C@H]1CCC[C@H](CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1 ZINC000120654090 426313266 /nfs/dbraw/zinc/31/32/66/426313266.db2.gz IRBPOBLRFQUBAQ-JSGCOSHPSA-N -1 3 313.405 2.945 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3c(F)cc(F)cc3C2)on1 ZINC000120844736 426315950 /nfs/dbraw/zinc/31/59/50/426315950.db2.gz UOELOULHZGESKC-JTQLQIEISA-N -1 3 321.327 2.647 20 0 DFADHM Cc1cccc(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)c1[O-] ZINC000175591267 426316343 /nfs/dbraw/zinc/31/63/43/426316343.db2.gz PATNAWYZSGWDBJ-SNVBAGLBSA-N -1 3 303.362 2.872 20 0 DFADHM Cc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000121007494 426319389 /nfs/dbraw/zinc/31/93/89/426319389.db2.gz MCHZUMIGEJBUEH-QGZVFWFLSA-N -1 3 310.397 2.830 20 0 DFADHM CC[C@@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])N1CCCC1=O ZINC000175836695 426331723 /nfs/dbraw/zinc/33/17/23/426331723.db2.gz QSPNLALUBBXRDO-LBPRGKRZSA-N -1 3 310.781 2.694 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(Cn3cncn3)cc2)c1[O-] ZINC000121299434 426332612 /nfs/dbraw/zinc/33/26/12/426332612.db2.gz CPWQVHRJABMJSQ-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM Nc1nccnc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000175844675 426333269 /nfs/dbraw/zinc/33/32/69/426333269.db2.gz XAFOFHMWULQSNL-UHFFFAOYSA-N -1 3 320.352 2.608 20 0 DFADHM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1c[n-]c2ccccc2c1=O ZINC000152301258 426337642 /nfs/dbraw/zinc/33/76/42/426337642.db2.gz OQFUNSZBCHLAHK-BMGDILEWSA-N -1 3 316.360 2.596 20 0 DFADHM CCC[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000119283372 426275624 /nfs/dbraw/zinc/27/56/24/426275624.db2.gz XKUQXMJFRDIOSF-UHFFFAOYSA-N -1 3 302.446 2.868 20 0 DFADHM Cc1ccccc1C1(C(=O)Nc2cc(-c3nccn3C)[n-]n2)CC1 ZINC000119300061 426276668 /nfs/dbraw/zinc/27/66/68/426276668.db2.gz IIKAHEPPXPACEU-UHFFFAOYSA-N -1 3 321.384 2.789 20 0 DFADHM Cc1ccccc1C1(C(=O)Nc2cc(-c3nccn3C)n[n-]2)CC1 ZINC000119300061 426276670 /nfs/dbraw/zinc/27/66/70/426276670.db2.gz IIKAHEPPXPACEU-UHFFFAOYSA-N -1 3 321.384 2.789 20 0 DFADHM CC(C)C[C@H]1CCCN(C(=O)c2cnc3c(cnn3C)c2[O-])C1 ZINC000119346221 426280378 /nfs/dbraw/zinc/28/03/78/426280378.db2.gz JWRYZQMHIJMCLF-GFCCVEGCSA-N -1 3 316.405 2.572 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cccs1)c1c(C)noc1C ZINC000119384336 426283808 /nfs/dbraw/zinc/28/38/08/426283808.db2.gz BSAFSRRQFJOLND-SNVBAGLBSA-N -1 3 300.405 2.783 20 0 DFADHM Cc1nc(C)c(CCC(=O)NC2CCC(C(C)C)CC2)c(=O)[n-]1 ZINC000119381369 426284030 /nfs/dbraw/zinc/28/40/30/426284030.db2.gz RLVVZDRSBKTRNY-UHFFFAOYSA-N -1 3 319.449 2.650 20 0 DFADHM CSc1cc(C)ccc1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000151231007 426285028 /nfs/dbraw/zinc/28/50/28/426285028.db2.gz 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/nfs/dbraw/zinc/43/76/47/426437647.db2.gz URVJHCHKLZQIRE-UHFFFAOYSA-N -1 3 306.749 2.655 20 0 DFADHM Cc1cn2c(nc(C)c2CN(C)C(=O)c2ccccc2[O-])s1 ZINC000123589065 426442865 /nfs/dbraw/zinc/44/28/65/426442865.db2.gz SCLQWLHWTISRCN-UHFFFAOYSA-N -1 3 315.398 2.990 20 0 DFADHM O=C(c1ccc(F)cc1[O-])N1CCC[C@@H](N2CCCCC2)C1 ZINC000123728594 426450483 /nfs/dbraw/zinc/45/04/83/426450483.db2.gz LFWCQIKFPMQPRM-CQSZACIVSA-N -1 3 306.381 2.622 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1c1noc(-c2cc(=O)[n-]c(N(C)C)n2)n1 ZINC000341171573 269052343 /nfs/dbraw/zinc/05/23/43/269052343.db2.gz RNSVNTHJOUPXEU-MNOVXSKESA-N -1 3 317.393 2.982 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1c[n-]nn1 ZINC000341177529 269053702 /nfs/dbraw/zinc/05/37/02/269053702.db2.gz WVJQMWRQSQGGEN-NWDGAFQWSA-N -1 3 324.306 2.890 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1cnn[n-]1 ZINC000341177529 269053704 /nfs/dbraw/zinc/05/37/04/269053704.db2.gz WVJQMWRQSQGGEN-NWDGAFQWSA-N -1 3 324.306 2.890 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1cn[n-]n1 ZINC000341177529 269053705 /nfs/dbraw/zinc/05/37/05/269053705.db2.gz WVJQMWRQSQGGEN-NWDGAFQWSA-N -1 3 324.306 2.890 20 0 DFADHM CCC(CC)[C@@H](CN=c1[n-]c(C(F)(F)F)ns1)N(C)C ZINC000341419741 269074288 /nfs/dbraw/zinc/07/42/88/269074288.db2.gz KTLBYCYNPZENSF-SECBINFHSA-N -1 3 310.389 2.757 20 0 DFADHM COc1cccc(C(=O)N[C@H]2CCc3cc(F)ccc32)c1[O-] ZINC000097676413 426472810 /nfs/dbraw/zinc/47/28/10/426472810.db2.gz SVDKMCBJMMHFLR-AWEZNQCLSA-N -1 3 301.317 2.957 20 0 DFADHM Cc1ccc(C(=O)N2CCC(C3CCOCC3)CC2)c([O-])c1 ZINC000124248538 426476552 /nfs/dbraw/zinc/47/65/52/426476552.db2.gz JWDNWZUCIOWILS-UHFFFAOYSA-N -1 3 303.402 2.979 20 0 DFADHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000098039000 426476683 /nfs/dbraw/zinc/47/66/83/426476683.db2.gz RYVPUNIWPUOSCN-UHFFFAOYSA-N -1 3 308.837 2.645 20 0 DFADHM CCC[C@@H](C)CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000101678780 426485906 /nfs/dbraw/zinc/48/59/06/426485906.db2.gz XPWBPEAJKJOHPA-CQSZACIVSA-N 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LZGKHLDYXZMMBD-ZDUSSCGKSA-N -1 3 321.421 2.734 20 0 DFADHM C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000288209656 426517737 /nfs/dbraw/zinc/51/77/37/426517737.db2.gz DBOBNYMJCJRVQM-DGCLKSJQSA-N -1 3 308.809 2.744 20 0 DFADHM O=C([O-])[C@@H]1CSCCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000215355104 426554627 /nfs/dbraw/zinc/55/46/27/426554627.db2.gz NCGGMTJIBBVEQN-NSHDSACASA-N -1 3 321.320 2.587 20 0 DFADHM [O-]c1cc(F)cc(CN2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000186393936 426518751 /nfs/dbraw/zinc/51/87/51/426518751.db2.gz QHYSNPJMZMGAGR-GOSISDBHSA-N -1 3 301.361 2.975 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c1 ZINC000288417696 426521133 /nfs/dbraw/zinc/52/11/33/426521133.db2.gz OFKVDRHIJPYAMF-LBPRGKRZSA-N -1 3 321.373 2.589 20 0 DFADHM Cc1ccc(-c2ccsc2C(=O)[N-]N2CCCNC2=O)cc1 ZINC000272428411 426522063 /nfs/dbraw/zinc/52/20/63/426522063.db2.gz PUABDARJMCAFBU-UHFFFAOYSA-N -1 3 315.398 2.784 20 0 DFADHM Cc1ccc(C(=O)N(C)Cc2ncc(Cl)n2C)c([O-])c1C ZINC000272433695 426525205 /nfs/dbraw/zinc/52/52/05/426525205.db2.gz NNYVJOJLJINIKH-UHFFFAOYSA-N -1 3 307.781 2.668 20 0 DFADHM CN(C)C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000186423609 426525606 /nfs/dbraw/zinc/52/56/06/426525606.db2.gz BACDZCPNDDMUNG-HNNXBMFYSA-N -1 3 320.339 2.703 20 0 DFADHM COc1cccc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)c1[O-] ZINC000186431420 426525625 /nfs/dbraw/zinc/52/56/25/426525625.db2.gz JQFDUSKFDAFDNF-SNVBAGLBSA-N -1 3 301.346 2.821 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000272446508 426526772 /nfs/dbraw/zinc/52/67/72/426526772.db2.gz JEBCYHGANUOVIU-NSHDSACASA-N -1 3 316.323 2.913 20 0 DFADHM COC(=O)CCCO[N-]C(=O)Nc1cc(C)c(Cl)c(C)c1 ZINC000288779466 426530143 /nfs/dbraw/zinc/53/01/43/426530143.db2.gz JHAAMHXVRSXLKI-UHFFFAOYSA-N -1 3 314.769 2.963 20 0 DFADHM O=C([N-]CC1CCN(Cc2ccccc2F)CC1)C(F)(F)F ZINC000264341242 426538028 /nfs/dbraw/zinc/53/80/28/426538028.db2.gz AZOFIWYWKJLYKT-UHFFFAOYSA-N -1 3 318.314 2.716 20 0 DFADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000272529563 426550040 /nfs/dbraw/zinc/55/00/40/426550040.db2.gz YTUXZGBPTVEJGV-UHFFFAOYSA-N -1 3 319.308 2.737 20 0 DFADHM CO[C@H]1CCC[C@H](CC(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000280334917 426551354 /nfs/dbraw/zinc/55/13/54/426551354.db2.gz RKZQOJDHBNBPAA-QWRGUYRKSA-N -1 3 304.350 2.599 20 0 DFADHM CO[C@H]1CCC[C@H](CC(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000280334917 426551361 /nfs/dbraw/zinc/55/13/61/426551361.db2.gz RKZQOJDHBNBPAA-QWRGUYRKSA-N -1 3 304.350 2.599 20 0 DFADHM CO[C@H]1CCC[C@H](CC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000280334917 426551365 /nfs/dbraw/zinc/55/13/65/426551365.db2.gz RKZQOJDHBNBPAA-QWRGUYRKSA-N -1 3 304.350 2.599 20 0 DFADHM CCCCn1cc(C(=O)NCc2ccc([O-])c(F)c2)c(C)n1 ZINC000186178019 426491472 /nfs/dbraw/zinc/49/14/72/426491472.db2.gz JVRDJNHGSNEVRY-UHFFFAOYSA-N -1 3 305.353 2.766 20 0 DFADHM CC1CCN(CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)CC1 ZINC000186261814 426498354 /nfs/dbraw/zinc/49/83/54/426498354.db2.gz HCGYPRTYZMPPFZ-CQSZACIVSA-N -1 3 302.418 2.964 20 0 DFADHM O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCCc2cccc([O-])c21 ZINC000186290372 426500605 /nfs/dbraw/zinc/50/06/05/426500605.db2.gz SYWPNKOHJNLPCN-UHFFFAOYSA-N -1 3 320.352 2.770 20 0 DFADHM CCOc1ccccc1OCCCC(=O)[N-]OCCSC ZINC000280136738 426505526 /nfs/dbraw/zinc/50/55/26/426505526.db2.gz WYMLMEWVPQEZGI-UHFFFAOYSA-N -1 3 313.419 2.655 20 0 DFADHM CC1(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)CCCC1 ZINC000264532748 426568045 /nfs/dbraw/zinc/56/80/45/426568045.db2.gz LXMGVFVLVXTSQV-UHFFFAOYSA-N -1 3 314.382 2.716 20 0 DFADHM COc1cc(-c2noc(C[C@@H]3CCC(=O)[C@H]3C)n2)ccc1[O-] ZINC000280413255 426569902 /nfs/dbraw/zinc/56/99/02/426569902.db2.gz YSWVDOUMWJVIFQ-UWVGGRQHSA-N -1 3 302.330 2.609 20 0 DFADHM COc1cc(-c2noc(C[C@H]3CCC(=O)[C@H]3C)n2)ccc1[O-] ZINC000280413258 426570295 /nfs/dbraw/zinc/57/02/95/426570295.db2.gz YSWVDOUMWJVIFQ-VHSXEESVSA-N -1 3 302.330 2.609 20 0 DFADHM COCCCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000186653385 426572430 /nfs/dbraw/zinc/57/24/30/426572430.db2.gz ZONQNPGJAPGFDJ-UHFFFAOYSA-N -1 3 320.158 2.563 20 0 DFADHM COc1ccc(C(=O)NCc2ccc(C(C)(C)O)cc2)c([O-])c1 ZINC000186675789 426575057 /nfs/dbraw/zinc/57/50/57/426575057.db2.gz WSDOACLIFLWXIA-UHFFFAOYSA-N -1 3 315.369 2.558 20 0 DFADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000186725611 426587482 /nfs/dbraw/zinc/58/74/82/426587482.db2.gz XLHVYOYHQGCWPN-SECBINFHSA-N -1 3 314.407 2.673 20 0 DFADHM CC(C)(C)OC(=O)Nc1cccc(C(=O)[N-]c2nncs2)n1 ZINC000280505696 426589054 /nfs/dbraw/zinc/58/90/54/426589054.db2.gz DEQVZJDYRQHLBY-UHFFFAOYSA-N -1 3 321.362 2.532 20 0 DFADHM CCCc1cc(C(=O)N2CCc3c(=O)[n-]cnc3C2)sc1C ZINC000273085310 426589285 /nfs/dbraw/zinc/58/92/85/426589285.db2.gz BGWGYOPJOWDVLZ-UHFFFAOYSA-N -1 3 317.414 2.703 20 0 DFADHM O=C1[C@@H]([N-]c2nc3ccccc3o2)CCCN1Cc1ccccn1 ZINC000273143946 426601536 /nfs/dbraw/zinc/60/15/36/426601536.db2.gz KSSYCQLFASIRGW-HNNXBMFYSA-N -1 3 322.368 2.826 20 0 DFADHM C[C@H](CC(=O)Nc1cc(F)ccc1[O-])NC(=O)C1CCCC1 ZINC000178327551 426605672 /nfs/dbraw/zinc/60/56/72/426605672.db2.gz UQVVIMGREQUBJT-SNVBAGLBSA-N -1 3 308.353 2.555 20 0 DFADHM Cc1nnc([N-]C(=O)C(F)(F)c2cccc(Cl)c2)n1C ZINC000273193015 426613804 /nfs/dbraw/zinc/61/38/04/426613804.db2.gz PHBMUIABRUNACC-UHFFFAOYSA-N -1 3 300.696 2.507 20 0 DFADHM C[C@H]1CCN(C(=O)CCc2ccc(=O)[nH]c2)c2c([O-])cccc21 ZINC000280360728 426558311 /nfs/dbraw/zinc/55/83/11/426558311.db2.gz VJXQWXUHULDJDK-LBPRGKRZSA-N -1 3 312.369 2.966 20 0 DFADHM CCOC(=O)N[C@@H](CNC(=O)c1ccc([O-])c(C)c1)CC(C)C ZINC000272558139 426559229 /nfs/dbraw/zinc/55/92/29/426559229.db2.gz JHKNZNGKOZHSLV-CQSZACIVSA-N -1 3 322.405 2.591 20 0 DFADHM CCCOc1ncccc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000272560207 426559390 /nfs/dbraw/zinc/55/93/90/426559390.db2.gz JJVLCRVQKUGIKE-UHFFFAOYSA-N -1 3 300.358 2.814 20 0 DFADHM COc1cc(C(=O)N2CCC(OCC(C)C)CC2)ccc1[O-] ZINC000272569973 426561337 /nfs/dbraw/zinc/56/13/37/426561337.db2.gz CBUFMIQRVJFNLC-UHFFFAOYSA-N -1 3 307.390 2.678 20 0 DFADHM CC(C)Oc1cccc(CN2CCCC[C@@H]2c2nc(=O)[n-][nH]2)c1 ZINC000289346433 426632549 /nfs/dbraw/zinc/63/25/49/426632549.db2.gz MLCCTZHXTGPDRM-OAHLLOKOSA-N -1 3 316.405 2.612 20 0 DFADHM C[C@H]1c2cccn2CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000178471640 426635057 /nfs/dbraw/zinc/63/50/57/426635057.db2.gz NVUBSZZGXGXIGE-NSHDSACASA-N -1 3 304.777 2.993 20 0 DFADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289381708 426644145 /nfs/dbraw/zinc/64/41/45/426644145.db2.gz JFOGTTJNPHZEDE-ONGXEEELSA-N -1 3 324.787 2.831 20 0 DFADHM CCC[C@H]([N-]C(=O)C(F)(F)C(F)F)[C@H](O)c1ccccc1 ZINC000280732010 426644380 /nfs/dbraw/zinc/64/43/80/426644380.db2.gz YVFJCKXICSUERU-WDEREUQCSA-N -1 3 307.287 2.905 20 0 DFADHM C[C@H](CNC(=O)c1c(F)ccc([O-])c1F)N1CCC(C)CC1 ZINC000280759441 426650167 /nfs/dbraw/zinc/65/01/67/426650167.db2.gz LINARRFQGRZRTH-LLVKDONJSA-N -1 3 312.360 2.521 20 0 DFADHM CCC1(O)CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000273376444 426654615 /nfs/dbraw/zinc/65/46/15/426654615.db2.gz DAHPLAZIZQCWCP-UHFFFAOYSA-N -1 3 303.402 2.648 20 0 DFADHM Cc1noc(C)c1CSCC(=O)Nc1nc(C)ccc1[O-] ZINC000273497530 426674414 /nfs/dbraw/zinc/67/44/14/426674414.db2.gz NLSIJJQOMPHEGM-UHFFFAOYSA-N -1 3 307.375 2.572 20 0 DFADHM CC(C)c1nnc(CNC(=O)c2ccc(C(C)C)cc2[O-])n1C ZINC000273514858 426677493 /nfs/dbraw/zinc/67/74/93/426677493.db2.gz MUBAHIKALBTKIO-UHFFFAOYSA-N -1 3 316.405 2.698 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCCc2n[nH]cc21 ZINC000280893543 426680860 /nfs/dbraw/zinc/68/08/60/426680860.db2.gz YHRCJVNEHBKYIV-UHFFFAOYSA-N -1 3 311.263 2.727 20 0 DFADHM C[C@H](CO)N(CC1CCC1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000280903882 426682028 /nfs/dbraw/zinc/68/20/28/426682028.db2.gz WCKHWCCUYSQXTN-GFCCVEGCSA-N -1 3 314.385 2.564 20 0 DFADHM COC(=O)c1ccccc1CC[S@@](=O)c1ccc([O-])cc1 ZINC000187067460 426627547 /nfs/dbraw/zinc/62/75/47/426627547.db2.gz IVHOLYSTSGCPLS-OAQYLSRUSA-N -1 3 304.367 2.529 20 0 DFADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c(C)c2)s1 ZINC000273656194 426703191 /nfs/dbraw/zinc/70/31/91/426703191.db2.gz XGYIPUGPTFXQSQ-SNVBAGLBSA-N -1 3 311.432 2.503 20 0 DFADHM Cc1ccc2c(C)cc(N3CCc4nc[n-]c(=O)c4C3)nc2c1 ZINC000274106185 426714533 /nfs/dbraw/zinc/71/45/33/426714533.db2.gz XNHXYVSYKLCCGK-UHFFFAOYSA-N -1 3 306.369 2.910 20 0 DFADHM C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@H](C(=O)[O-])C1 ZINC000178898045 426716382 /nfs/dbraw/zinc/71/63/82/426716382.db2.gz LSMQBGIJPHDSAO-JSGCOSHPSA-N -1 3 312.369 2.573 20 0 DFADHM COC(=O)[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(C)c(C)c1 ZINC000187768642 426693852 /nfs/dbraw/zinc/69/38/52/426693852.db2.gz VYVNVFMQMFDQMQ-INIZCTEOSA-N -1 3 313.353 2.653 20 0 DFADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000273615242 426696480 /nfs/dbraw/zinc/69/64/80/426696480.db2.gz PPDVWQZDCDGXBZ-ZETCQYMHSA-N -1 3 317.823 2.539 20 0 DFADHM CCc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c([O-])c1 ZINC000188617069 426768087 /nfs/dbraw/zinc/76/80/87/426768087.db2.gz SBYXSOKZLBGRHO-UHFFFAOYSA-N -1 3 313.353 2.956 20 0 DFADHM CCCc1nc(C)c(C(=O)[N-]c2nc3ccccn3n2)s1 ZINC000179204272 426768266 /nfs/dbraw/zinc/76/82/66/426768266.db2.gz DVMFZRMAGJCLMY-UHFFFAOYSA-N -1 3 301.375 2.699 20 0 DFADHM Cc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccc1[O-] ZINC000274449821 426771586 /nfs/dbraw/zinc/77/15/86/426771586.db2.gz UQFFVJBZUYIGEU-UHFFFAOYSA-N -1 3 311.381 2.824 20 0 DFADHM O=C(Cc1cncs1)Nc1cc(Br)ccc1[O-] ZINC000188644068 426772701 /nfs/dbraw/zinc/77/27/01/426772701.db2.gz ZOGOBWAIZAKDQN-UHFFFAOYSA-N -1 3 313.176 2.792 20 0 DFADHM CC(C)OCc1cc(NC(=O)Nc2ccn(C)n2)ccc1[O-] ZINC000290480455 426776015 /nfs/dbraw/zinc/77/60/15/426776015.db2.gz RDKNXUZLIUNWJY-UHFFFAOYSA-N -1 3 304.350 2.695 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCN([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000274540296 426789849 /nfs/dbraw/zinc/78/98/49/426789849.db2.gz UFYISOVTDTXXJF-OALUTQOASA-N -1 3 322.408 2.706 20 0 DFADHM CC(C)COc1ccc(CC[N-]S(=O)(=O)c2ccco2)cc1 ZINC000188676409 426777269 /nfs/dbraw/zinc/77/72/69/426777269.db2.gz OASKYEJDTWMNBK-UHFFFAOYSA-N -1 3 323.414 2.835 20 0 DFADHM C[C@@H](C[N-]S(=O)(=O)c1ccco1)Oc1ccccc1Cl ZINC000188728179 426780939 /nfs/dbraw/zinc/78/09/39/426780939.db2.gz VOPUKTRLXYDEIC-JTQLQIEISA-N -1 3 315.778 2.679 20 0 DFADHM CCC(=CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)CC ZINC000290509416 426781910 /nfs/dbraw/zinc/78/19/10/426781910.db2.gz YUGVGUSYMZRHEN-GFCCVEGCSA-N -1 3 320.355 2.650 20 0 DFADHM O=S(=O)([N-]CCc1c[nH]c2ccc(Cl)cc12)c1ccco1 ZINC000188747494 426783320 /nfs/dbraw/zinc/78/33/20/426783320.db2.gz BQPFDQVICXYONF-UHFFFAOYSA-N -1 3 324.789 2.935 20 0 DFADHM CC(C)N1CCC[C@@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000274500218 426783441 /nfs/dbraw/zinc/78/34/41/426783441.db2.gz PJKXYOXHAMOUJV-GFCCVEGCSA-N -1 3 319.430 2.719 20 0 DFADHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)O1 ZINC000188741629 426783625 /nfs/dbraw/zinc/78/36/25/426783625.db2.gz QTHOKCQMWKGWMP-MRVPVSSYSA-N -1 3 309.840 2.637 20 0 DFADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(Cl)cc1)c2[O-] ZINC000179381857 426783736 /nfs/dbraw/zinc/78/37/36/426783736.db2.gz MDCMIOVAGIPUCQ-UHFFFAOYSA-N -1 3 302.721 2.580 20 0 DFADHM COc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)[n-]1 ZINC000179374428 426784357 /nfs/dbraw/zinc/78/43/57/426784357.db2.gz DCQOVJQKQGQGGX-UHFFFAOYSA-N -1 3 322.368 2.974 20 0 DFADHM COc1nc(NC(=O)CC(c2ccccc2)c2ccccc2)n[n-]1 ZINC000179374428 426784363 /nfs/dbraw/zinc/78/43/63/426784363.db2.gz DCQOVJQKQGQGGX-UHFFFAOYSA-N -1 3 322.368 2.974 20 0 DFADHM COc1n[n-]c(NC(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000179374428 426784365 /nfs/dbraw/zinc/78/43/65/426784365.db2.gz DCQOVJQKQGQGGX-UHFFFAOYSA-N -1 3 322.368 2.974 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)sc1Cl ZINC000188135391 426723645 /nfs/dbraw/zinc/72/36/45/426723645.db2.gz IOWPMGBNOLGWHF-MGCOHNPYSA-N -1 3 323.867 2.539 20 0 DFADHM CSc1nnc(NC(=O)C[C@H](C)Cc2cccc(F)c2)[n-]1 ZINC000266880844 426788251 /nfs/dbraw/zinc/78/82/51/426788251.db2.gz STRFHSINKHJFEU-SECBINFHSA-N -1 3 308.382 2.873 20 0 DFADHM CSc1n[n-]c(NC(=O)C[C@H](C)Cc2cccc(F)c2)n1 ZINC000266880844 426788254 /nfs/dbraw/zinc/78/82/54/426788254.db2.gz STRFHSINKHJFEU-SECBINFHSA-N -1 3 308.382 2.873 20 0 DFADHM CSc1nc(NC(=O)C[C@H](C)Cc2cccc(F)c2)n[n-]1 ZINC000266880844 426788257 /nfs/dbraw/zinc/78/82/57/426788257.db2.gz STRFHSINKHJFEU-SECBINFHSA-N -1 3 308.382 2.873 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)s1 ZINC000274260931 426730792 /nfs/dbraw/zinc/73/07/92/426730792.db2.gz LHFJYKBVRMQRBY-SNVBAGLBSA-N -1 3 314.457 2.869 20 0 DFADHM O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000274290645 426736990 /nfs/dbraw/zinc/73/69/90/426736990.db2.gz MLVOIEZIIVMWTK-SJCJKPOMSA-N -1 3 312.369 2.628 20 0 DFADHM CSC1(CNC(=O)c2ccc(C)c(C)c2[O-])CCOCC1 ZINC000266600295 426746707 /nfs/dbraw/zinc/74/67/07/426746707.db2.gz ZPFUCGJJBHSUDL-UHFFFAOYSA-N -1 3 309.431 2.651 20 0 DFADHM NC(=O)c1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000188479805 426755164 /nfs/dbraw/zinc/75/51/64/426755164.db2.gz BZUILLYUXNFGTE-UHFFFAOYSA-N -1 3 324.258 2.762 20 0 DFADHM CN(CCC1CCCCC1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000274413851 426762684 /nfs/dbraw/zinc/76/26/84/426762684.db2.gz CIQFDOVFDOQKFR-UHFFFAOYSA-N -1 3 318.417 2.551 20 0 DFADHM Cc1csc([C@@H](NC(=O)/C=C/c2cncc([O-])c2)C2CC2)n1 ZINC000179517555 426797348 /nfs/dbraw/zinc/79/73/48/426797348.db2.gz MROIZZZRJDRNMJ-IJJSQOHJSA-N -1 3 315.398 2.833 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000290589344 426799625 /nfs/dbraw/zinc/79/96/25/426799625.db2.gz QIUGNSBKTKXHIF-INIZCTEOSA-N -1 3 322.408 2.978 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000290597930 426800930 /nfs/dbraw/zinc/80/09/30/426800930.db2.gz XNCBPRILMURZJN-SNVBAGLBSA-N -1 3 305.765 2.789 20 0 DFADHM Cc1cccc([O-])c1NC(=O)CNC(=O)OCc1ccccc1 ZINC000179559525 426801664 /nfs/dbraw/zinc/80/16/64/426801664.db2.gz CUILBNJJHRKFJD-UHFFFAOYSA-N -1 3 314.341 2.566 20 0 DFADHM Cc1cccc([O-])c1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000179559467 426803266 /nfs/dbraw/zinc/80/32/66/426803266.db2.gz ZNHBMSFPNAXNOY-UHFFFAOYSA-N -1 3 308.337 2.654 20 0 DFADHM NC(=O)c1ccc(CN(Cc2cc([O-])cc(F)c2)C2CC2)cc1 ZINC000274618141 426803470 /nfs/dbraw/zinc/80/34/70/426803470.db2.gz WABOWTNMJWGMII-UHFFFAOYSA-N -1 3 314.360 2.795 20 0 DFADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N(CCO)C1CC1 ZINC000179829957 426819326 /nfs/dbraw/zinc/81/93/26/426819326.db2.gz VGJUDQXFBFQYCL-UHFFFAOYSA-N -1 3 313.353 2.781 20 0 DFADHM Cc1ncc(C(=O)[N-]c2nnc(C(F)F)s2)c(C2CC2)n1 ZINC000282052257 426821721 /nfs/dbraw/zinc/82/17/21/426821721.db2.gz ZNVSIDAVOHNQRY-UHFFFAOYSA-N -1 3 311.317 2.704 20 0 DFADHM CCc1onc(C)c1[N-]C(=O)c1cc(OCC(F)F)ccn1 ZINC000179854098 426822063 /nfs/dbraw/zinc/82/20/63/426822063.db2.gz PGSXLASEGZFBKK-UHFFFAOYSA-N -1 3 311.288 2.837 20 0 DFADHM COc1ccc([N-]S(=O)(=O)CCC(C)(C)C)c(OC)c1 ZINC000267130383 426829343 /nfs/dbraw/zinc/82/93/43/426829343.db2.gz HGIRJCDCAFWPLP-UHFFFAOYSA-N -1 3 301.408 2.882 20 0 DFADHM C[C@@H]1c2ccsc2CCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000282142824 426837187 /nfs/dbraw/zinc/83/71/87/426837187.db2.gz RZVPSCTYHIHMDS-MRVPVSSYSA-N -1 3 316.361 2.918 20 0 DFADHM C[C@@H]1c2ccsc2CCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000282142824 426837192 /nfs/dbraw/zinc/83/71/92/426837192.db2.gz RZVPSCTYHIHMDS-MRVPVSSYSA-N -1 3 316.361 2.918 20 0 DFADHM C[C@@H]1c2ccsc2CCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000282142824 426837197 /nfs/dbraw/zinc/83/71/97/426837197.db2.gz RZVPSCTYHIHMDS-MRVPVSSYSA-N -1 3 316.361 2.918 20 0 DFADHM CC(C)N(Cc1ccco1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000282136798 426837671 /nfs/dbraw/zinc/83/76/71/426837671.db2.gz KLWPUKSONJGTNO-UHFFFAOYSA-N -1 3 302.309 2.741 20 0 DFADHM CC(C)N(Cc1ccco1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000282136798 426837675 /nfs/dbraw/zinc/83/76/75/426837675.db2.gz KLWPUKSONJGTNO-UHFFFAOYSA-N -1 3 302.309 2.741 20 0 DFADHM CC(C)N(Cc1ccco1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000282136798 426837681 /nfs/dbraw/zinc/83/76/81/426837681.db2.gz KLWPUKSONJGTNO-UHFFFAOYSA-N -1 3 302.309 2.741 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCOC[C@@H]1CC(F)F ZINC000290789104 426839412 /nfs/dbraw/zinc/83/94/12/426839412.db2.gz DKLUJEBEXHCWHZ-QMMMGPOBSA-N -1 3 305.708 2.542 20 0 DFADHM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)C1=CCCCC1 ZINC000295152213 426840985 /nfs/dbraw/zinc/84/09/85/426840985.db2.gz BUALGTZOFFEDCL-UHFFFAOYSA-N -1 3 322.365 2.810 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)n1 ZINC000295160493 426842732 /nfs/dbraw/zinc/84/27/32/426842732.db2.gz OQVMKUPTAQAARD-VHSXEESVSA-N -1 3 303.328 2.907 20 0 DFADHM O=S(=O)(Cc1cccc(F)c1)[N-]c1ncccc1Cl ZINC000180198341 426843514 /nfs/dbraw/zinc/84/35/14/426843514.db2.gz ILWQXZPQYAWKSF-UHFFFAOYSA-N -1 3 300.742 2.816 20 0 DFADHM O=C([N-]Cc1ccnc(N2CCCCC2)c1)C(F)(F)C(F)F ZINC000267201632 426843762 /nfs/dbraw/zinc/84/37/62/426843762.db2.gz OTCZATNZLNEIGA-UHFFFAOYSA-N -1 3 319.302 2.589 20 0 DFADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1cccs1 ZINC000295157925 426843895 /nfs/dbraw/zinc/84/38/95/426843895.db2.gz GHBAFPFJWGFSII-JTQLQIEISA-N -1 3 312.416 2.581 20 0 DFADHM Cn1nc(-c2ccccc2)nc1[N-]C(=O)c1ncoc1C1CC1 ZINC000295155299 426844510 /nfs/dbraw/zinc/84/45/10/426844510.db2.gz MMPSGCWFGIWDIF-UHFFFAOYSA-N -1 3 309.329 2.600 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1cc(N2CCCC2)ccn1 ZINC000189355222 426846296 /nfs/dbraw/zinc/84/62/96/426846296.db2.gz GJIWIPIQXBRVKP-UHFFFAOYSA-N -1 3 301.321 2.779 20 0 DFADHM C[C@@]1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCC[C@@H]1O ZINC000267226048 426849894 /nfs/dbraw/zinc/84/98/94/426849894.db2.gz JCBUQMYAOUEILN-WMZOPIPTSA-N -1 3 314.385 2.611 20 0 DFADHM Cc1noc([C@@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)n1 ZINC000290835196 426852157 /nfs/dbraw/zinc/85/21/57/426852157.db2.gz HWEKRMIYDVUFJR-LBPRGKRZSA-N -1 3 307.737 2.714 20 0 DFADHM CCC(O)(CC)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000189441590 426855295 /nfs/dbraw/zinc/85/52/95/426855295.db2.gz UXBMYXDMSNLWGA-UHFFFAOYSA-N -1 3 305.296 2.692 20 0 DFADHM CCOC(=O)[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H](C)CC ZINC000290855362 426856634 /nfs/dbraw/zinc/85/66/34/426856634.db2.gz OQCCXFWMVARVLF-TVQRCGJNSA-N -1 3 313.781 2.753 20 0 DFADHM C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)C[C@@H](c2ccccc2)O1 ZINC000179454186 426790361 /nfs/dbraw/zinc/79/03/61/426790361.db2.gz GBKIPSYVTSNNFK-QBJLPMDFSA-N -1 3 324.380 2.789 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2cc(COC(C)(C)C)on2)n1 ZINC000274553349 426790443 /nfs/dbraw/zinc/79/04/43/426790443.db2.gz ACTJRLMJLKNBHS-UHFFFAOYSA-N -1 3 305.334 2.651 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCc1ccc(Cl)s1 ZINC000179433897 426790913 /nfs/dbraw/zinc/79/09/13/426790913.db2.gz RPRWPXGFYUCDGS-DAFODLJHSA-N -1 3 308.790 2.874 20 0 DFADHM CC[C@H](NC(=O)/C=C/c1cncc([O-])c1)c1nc(C)cs1 ZINC000179483126 426792651 /nfs/dbraw/zinc/79/26/51/426792651.db2.gz NBDTUWJFOFTTPW-IHVVCDCBSA-N -1 3 303.387 2.833 20 0 DFADHM CC(C)(C)c1csc(CNC(=O)/C=C/c2cncc([O-])c2)n1 ZINC000179483012 426792696 /nfs/dbraw/zinc/79/26/96/426792696.db2.gz UWUJZRJMKWHQDZ-SNAWJCMRSA-N -1 3 317.414 2.871 20 0 DFADHM Cc1csc(C(C)(C)NC(=O)/C=C/c2cncc([O-])c2)n1 ZINC000179503676 426794353 /nfs/dbraw/zinc/79/43/53/426794353.db2.gz ZSSKCEGLMYUPMR-SNAWJCMRSA-N -1 3 303.387 2.617 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCN(C2CC2)c2ccccc21 ZINC000188879847 426796161 /nfs/dbraw/zinc/79/61/61/426796161.db2.gz IMBYDLNKNUQYNL-UHFFFAOYSA-N -1 3 319.368 2.587 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCN(C2CC2)c2ccccc21 ZINC000188879847 426796164 /nfs/dbraw/zinc/79/61/64/426796164.db2.gz IMBYDLNKNUQYNL-UHFFFAOYSA-N -1 3 319.368 2.587 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCN(C2CC2)c2ccccc21 ZINC000188879847 426796169 /nfs/dbraw/zinc/79/61/69/426796169.db2.gz IMBYDLNKNUQYNL-UHFFFAOYSA-N -1 3 319.368 2.587 20 0 DFADHM Cc1cnc([C@H](NC(=O)/C=C/c2cncc([O-])c2)C2CC2)s1 ZINC000179517824 426796380 /nfs/dbraw/zinc/79/63/80/426796380.db2.gz NCWNXFZPYYHWKT-FIMWJMCYSA-N -1 3 315.398 2.833 20 0 DFADHM Cc1ccc(O[C@H](C)CNC(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000179522205 426796636 /nfs/dbraw/zinc/79/66/36/426796636.db2.gz RKAAMKSCYKDEJG-LHRNQBEKSA-N -1 3 312.369 2.693 20 0 DFADHM CC1(C)OCC[C@@H]1NCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000295336988 426916458 /nfs/dbraw/zinc/91/64/58/426916458.db2.gz XPDIODIFJINESA-AWEZNQCLSA-N -1 3 323.776 2.809 20 0 DFADHM COCCCn1cc(C)c(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000295354531 426923419 /nfs/dbraw/zinc/92/34/19/426923419.db2.gz CAEJFYITNZZNOT-UHFFFAOYSA-N -1 3 323.780 2.839 20 0 DFADHM Cc1csc([C@@H]2COCCN2C(=O)c2ccc([O-])c(C)c2)n1 ZINC000275451829 426864422 /nfs/dbraw/zinc/86/44/22/426864422.db2.gz FDDRWYMJRZRTNL-ZDUSSCGKSA-N -1 3 318.398 2.679 20 0 DFADHM Cc1sccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000295217228 426866695 /nfs/dbraw/zinc/86/66/95/426866695.db2.gz BICSGMJDPVSGES-UHFFFAOYSA-N -1 3 316.426 2.720 20 0 DFADHM CCO[N-]C(=O)Nc1ccc(OCC)c(Br)c1 ZINC000189499311 426871182 /nfs/dbraw/zinc/87/11/82/426871182.db2.gz ILFVWJDJWBQLCW-UHFFFAOYSA-N -1 3 303.156 2.921 20 0 DFADHM CCCC[C@H](C)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000282289806 426874148 /nfs/dbraw/zinc/87/41/48/426874148.db2.gz FJVNCCYEPBXEEW-AWEZNQCLSA-N -1 3 318.417 2.503 20 0 DFADHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(Cl)cn1 ZINC000337609583 426878923 /nfs/dbraw/zinc/87/89/23/426878923.db2.gz UWQQAWIKUOXTJA-SSDOTTSWSA-N -1 3 319.727 2.636 20 0 DFADHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(Cl)cn1 ZINC000337609583 426878928 /nfs/dbraw/zinc/87/89/28/426878928.db2.gz UWQQAWIKUOXTJA-SSDOTTSWSA-N -1 3 319.727 2.636 20 0 DFADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Cl)cn1 ZINC000337609583 426878933 /nfs/dbraw/zinc/87/89/33/426878933.db2.gz UWQQAWIKUOXTJA-SSDOTTSWSA-N -1 3 319.727 2.636 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)CC2CCC(C)(C)CC2)n[n-]1 ZINC000337612957 426880605 /nfs/dbraw/zinc/88/06/05/426880605.db2.gz ZRHDSIIPEXQLFP-UHFFFAOYSA-N -1 3 315.421 3.355 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)CC2CCC(C)(C)CC2)[n-]n1 ZINC000337612957 426880612 /nfs/dbraw/zinc/88/06/12/426880612.db2.gz ZRHDSIIPEXQLFP-UHFFFAOYSA-N -1 3 315.421 3.355 20 0 DFADHM CC(C)Oc1ccc(F)cc1NC([O-])=NOC[C@H]1CCOC1 ZINC000189553734 426887047 /nfs/dbraw/zinc/88/70/47/426887047.db2.gz MSLDQABQLIZQCK-NSHDSACASA-N -1 3 312.341 2.703 20 0 DFADHM CC(C)Oc1ccc(F)cc1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000189553734 426887055 /nfs/dbraw/zinc/88/70/55/426887055.db2.gz MSLDQABQLIZQCK-NSHDSACASA-N -1 3 312.341 2.703 20 0 DFADHM CCc1nn(C)cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000180778180 426888595 /nfs/dbraw/zinc/88/85/95/426888595.db2.gz AMNJEOOWZBGNLM-UHFFFAOYSA-N -1 3 324.178 2.703 20 0 DFADHM CCSCCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000282367003 426892530 /nfs/dbraw/zinc/89/25/30/426892530.db2.gz QELUGGRVDBWYAV-UHFFFAOYSA-N -1 3 313.366 2.525 20 0 DFADHM CCOc1ccncc1S(=O)(=O)[N-]C(C)(C)c1ccccc1 ZINC000295294517 426893845 /nfs/dbraw/zinc/89/38/45/426893845.db2.gz DWPJZDHVBSPIJP-UHFFFAOYSA-N -1 3 320.414 2.694 20 0 DFADHM Cc1ccc(C(=O)N2CCCCC[C@H]2c2ncon2)c([O-])c1 ZINC000189587035 426896445 /nfs/dbraw/zinc/89/64/45/426896445.db2.gz UTCIXYSVMGWONC-ZDUSSCGKSA-N -1 3 301.346 2.841 20 0 DFADHM COCc1ccsc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000180956764 426901456 /nfs/dbraw/zinc/90/14/56/426901456.db2.gz NHGCTICGUWYLIJ-UHFFFAOYSA-N -1 3 305.331 2.936 20 0 DFADHM COc1cccc(C(=O)N[C@H]2CCOc3c(F)cccc32)c1[O-] ZINC000189619213 426908135 /nfs/dbraw/zinc/90/81/35/426908135.db2.gz HODRKIHKRWLNPT-ZDUSSCGKSA-N -1 3 317.316 2.794 20 0 DFADHM C[C@H](c1ccc(F)c(F)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000295417492 426948167 /nfs/dbraw/zinc/94/81/67/426948167.db2.gz TYWNPNGNDRJJRB-SECBINFHSA-N -1 3 309.316 2.582 20 0 DFADHM C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000189799213 426953016 /nfs/dbraw/zinc/95/30/16/426953016.db2.gz PMSBDBMWJGGYGK-WPRPVWTQSA-N -1 3 314.179 2.908 20 0 DFADHM CCOC(C)(C)C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000275969165 426957231 /nfs/dbraw/zinc/95/72/31/426957231.db2.gz NISJHBZUQGSVAS-UHFFFAOYSA-N -1 3 309.790 2.573 20 0 DFADHM COc1cc(C(=O)NCc2ccc(C(C)(C)O)cc2)ccc1[O-] ZINC000275967136 426958255 /nfs/dbraw/zinc/95/82/55/426958255.db2.gz JEIALZCSWXIZOG-UHFFFAOYSA-N -1 3 315.369 2.558 20 0 DFADHM CN(CCC1CCOCC1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268239354 426960899 /nfs/dbraw/zinc/96/08/99/426960899.db2.gz UNZDZLVDCRUTAD-UHFFFAOYSA-N -1 3 314.385 2.829 20 0 DFADHM COC(=O)c1cc(C(=O)[N-]c2ccc(OC(C)C)cc2F)no1 ZINC000283145432 426964203 /nfs/dbraw/zinc/96/42/03/426964203.db2.gz VOQBPDUXDQVQSS-UHFFFAOYSA-N -1 3 322.292 2.640 20 0 DFADHM CC(C)O[N-]C(=O)CCc1cccc(F)c1Br ZINC000295456123 426968389 /nfs/dbraw/zinc/96/83/89/426968389.db2.gz BPHCAACGBFCGOA-UHFFFAOYSA-N -1 3 304.159 2.977 20 0 DFADHM CCc1cc(C(=O)N2CCO[C@@H](c3nccs3)C2)ccc1[O-] ZINC000291740958 426969301 /nfs/dbraw/zinc/96/93/01/426969301.db2.gz CXUYNHDLNLUMTA-CQSZACIVSA-N -1 3 318.398 2.625 20 0 DFADHM CS[C@@H]1CCN(C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C1 ZINC000295461475 426969560 /nfs/dbraw/zinc/96/95/60/426969560.db2.gz BJFGOPWYIGFEBY-LLVKDONJSA-N -1 3 320.389 2.965 20 0 DFADHM CC(C)C[C@@H](C)OC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000295463665 426971054 /nfs/dbraw/zinc/97/10/54/426971054.db2.gz FRTSSOFFLZMLJQ-CYBMUJFWSA-N -1 3 322.405 2.673 20 0 DFADHM COc1cc(C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)ccc1[O-] ZINC000276056586 426976469 /nfs/dbraw/zinc/97/64/69/426976469.db2.gz ZAOJIXYUMBTGBD-KGLIPLIRSA-N -1 3 317.385 2.765 20 0 DFADHM c1ncc(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)s1 ZINC000181749269 426978759 /nfs/dbraw/zinc/97/87/59/426978759.db2.gz IIIHCHFZFKZKSP-LBPRGKRZSA-N -1 3 300.343 2.814 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000189942878 426985519 /nfs/dbraw/zinc/98/55/19/426985519.db2.gz ARCBJAKILMBWTR-HNNXBMFYSA-N -1 3 313.353 2.963 20 0 DFADHM O=C(CCCc1nnc(-c2ccccc2)o1)[N-]OC/C=C/Cl ZINC000291796364 426991078 /nfs/dbraw/zinc/99/10/78/426991078.db2.gz KRMRFRDUPMXAOV-BJMVGYQFSA-N -1 3 321.764 2.860 20 0 DFADHM COc1ccc(F)cc1[C@@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000181893546 426991790 /nfs/dbraw/zinc/99/17/90/426991790.db2.gz UIIKLZUTYRXIBP-ZXCPCRMDSA-N -1 3 316.332 2.826 20 0 DFADHM COc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1[O-] ZINC000276128062 426992038 /nfs/dbraw/zinc/99/20/38/426992038.db2.gz MLQUDEFDJHZAQR-JTQLQIEISA-N -1 3 303.280 2.815 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)c2cnc3c(c2)ncn3C)c1[O-] ZINC000181266674 426930544 /nfs/dbraw/zinc/93/05/44/426930544.db2.gz LOOAKIPFHKNBNF-UHFFFAOYSA-N -1 3 316.748 2.888 20 0 DFADHM CCc1ccc(C(=O)N2CCOC[C@H]2c2cccn2C)c([O-])c1 ZINC000189761110 426942812 /nfs/dbraw/zinc/94/28/12/426942812.db2.gz NUASSFGICAWJAZ-INIZCTEOSA-N -1 3 314.385 2.507 20 0 DFADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[N-]c1nc[nH]n1 ZINC000181384735 426945461 /nfs/dbraw/zinc/94/54/61/426945461.db2.gz YENUCDXADMFKSG-UHFFFAOYSA-N -1 3 321.312 2.767 20 0 DFADHM COCc1nc(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)n[n-]1 ZINC000268567365 427055468 /nfs/dbraw/zinc/05/54/68/427055468.db2.gz UPCNBAGHGYBSAR-VIFPVBQESA-N -1 3 324.381 2.518 20 0 DFADHM CC(C)c1nnc(N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)s1 ZINC000329173372 427058076 /nfs/dbraw/zinc/05/80/76/427058076.db2.gz ANBNOUNIQMZSRT-YMTOWFKASA-N -1 3 323.422 2.663 20 0 DFADHM O=C([N-]C[C@H]1CCN(c2ccccc2F)C1)C(F)(F)C(F)F ZINC000291809577 426997235 /nfs/dbraw/zinc/99/72/35/426997235.db2.gz XWDCHTHRXFIPAE-SECBINFHSA-N -1 3 322.277 2.669 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)CCCC(=O)C(C)(C)C)n[n-]1 ZINC000295548200 427002537 /nfs/dbraw/zinc/00/25/37/427002537.db2.gz UOBDVGCSCDXUJB-UHFFFAOYSA-N -1 3 317.393 2.534 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)CCCC(=O)C(C)(C)C)[n-]n1 ZINC000295548200 427002544 /nfs/dbraw/zinc/00/25/44/427002544.db2.gz UOBDVGCSCDXUJB-UHFFFAOYSA-N -1 3 317.393 2.534 20 0 DFADHM C[C@@](O)(CCc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000283365019 427003910 /nfs/dbraw/zinc/00/39/10/427003910.db2.gz YUVPFWDEDGTKCA-GOSISDBHSA-N -1 3 317.360 2.531 20 0 DFADHM C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2[O-])CCCC3)C[C@H](C)O1 ZINC000248491466 427007441 /nfs/dbraw/zinc/00/74/41/427007441.db2.gz ISTDDHMKVCPABA-DABQJJPHSA-N -1 3 303.402 2.957 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC(C(F)(F)F)CC1 ZINC000182061219 427008227 /nfs/dbraw/zinc/00/82/27/427008227.db2.gz RJSLANULJSTDCI-OWOJBTEDSA-N -1 3 300.280 2.601 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H]2c2nc(C)no2)ccc1[O-] ZINC000291855221 427008479 /nfs/dbraw/zinc/00/84/79/427008479.db2.gz 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ZINC000182954143 427170986 /nfs/dbraw/zinc/17/09/86/427170986.db2.gz GKWHTDCPPRQOFL-CYBMUJFWSA-N -1 3 315.369 2.846 20 0 DFADHM COc1ccc(C(=O)NC[C@@H](C)Oc2cccc(C)c2)c([O-])c1 ZINC000303970891 271365923 /nfs/dbraw/zinc/36/59/23/271365923.db2.gz DZBRSHMMRDWHIO-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM CC(C)(C)Oc1ccc(CNC(=O)c2cccc([O-])c2)cn1 ZINC000183005765 427180479 /nfs/dbraw/zinc/18/04/79/427180479.db2.gz QYBYGKQKFAHWGM-UHFFFAOYSA-N -1 3 300.358 2.895 20 0 DFADHM Cc1nn(-c2ccccc2)cc1CNC(=O)c1cccc([O-])c1 ZINC000183052436 427191248 /nfs/dbraw/zinc/19/12/48/427191248.db2.gz FKLSSJDZDXWYLE-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM Cc1ccc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1C ZINC000277403952 427194215 /nfs/dbraw/zinc/19/42/15/427194215.db2.gz SBVRSJYIDYTHJU-CQSZACIVSA-N -1 3 307.390 2.578 20 0 DFADHM CO[C@]1(C)C[C@H](NCc2cc(=O)oc3cc([O-])ccc23)C1(C)C ZINC000296494701 427199887 /nfs/dbraw/zinc/19/98/87/427199887.db2.gz YYMGYKGNPKPXMM-MAUKXSAKSA-N -1 3 317.385 2.792 20 0 DFADHM COc1cc(C(=O)N2CCOc3cccc(F)c3C2)ccc1[O-] ZINC000338240975 427206546 /nfs/dbraw/zinc/20/65/46/427206546.db2.gz ZLOLPOBIWPCOHQ-UHFFFAOYSA-N -1 3 317.316 2.575 20 0 DFADHM Cc1nnc([N-]C(=O)c2cc(F)c(F)c(F)c2F)n1C1CC1 ZINC000285373330 427213948 /nfs/dbraw/zinc/21/39/48/427213948.db2.gz KJSSOSVBGYMUBS-UHFFFAOYSA-N -1 3 314.242 2.730 20 0 DFADHM CC(C)[C@H]1CC[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)CC1 ZINC000253555217 427215012 /nfs/dbraw/zinc/21/50/12/427215012.db2.gz IPOYCPLBZLDRSF-JOCQHMNTSA-N -1 3 303.406 2.529 20 0 DFADHM O=C([N-]CC1([C@@H](O)c2ccccc2)CC1)C(F)(F)C(F)F ZINC000269827334 427284888 /nfs/dbraw/zinc/28/48/88/427284888.db2.gz MEWAAJMFYSZDAB-JTQLQIEISA-N -1 3 305.271 2.517 20 0 DFADHM CC(C)(CO)ON=C([O-])Nc1cccc(SC(F)F)c1 ZINC000296561661 427224137 /nfs/dbraw/zinc/22/41/37/427224137.db2.gz RYVUFLIPHQVHQD-UHFFFAOYSA-N -1 3 306.334 2.825 20 0 DFADHM CC(C)(CO)O[N-]C(=O)Nc1cccc(SC(F)F)c1 ZINC000296561661 427224144 /nfs/dbraw/zinc/22/41/44/427224144.db2.gz RYVUFLIPHQVHQD-UHFFFAOYSA-N -1 3 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O=S(=O)([N-]C[C@H]1CCCC[C@H]1C(F)(F)F)c1cccnc1 ZINC000287407842 427600984 /nfs/dbraw/zinc/60/09/84/427600984.db2.gz LDOVWSWTXAXTPR-ZYHUDNBSSA-N -1 3 322.352 2.729 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](Oc3cccc(F)c3)C2)n1 ZINC000192776728 427608144 /nfs/dbraw/zinc/60/81/44/427608144.db2.gz HUQOHSTXWPRACE-DOMZBBRYSA-N -1 3 317.364 2.844 20 0 DFADHM COc1ccc(CNCc2c(F)ccc([O-])c2F)c(OC)c1 ZINC000294330703 427625965 /nfs/dbraw/zinc/62/59/65/427625965.db2.gz RPILHRJIUDRHOQ-UHFFFAOYSA-N -1 3 309.312 2.977 20 0 DFADHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000185280146 427628025 /nfs/dbraw/zinc/62/80/25/427628025.db2.gz OPHYUOXWZLFXDM-GKQMSVHHSA-N -1 3 324.229 2.599 20 0 DFADHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000193095956 427665300 /nfs/dbraw/zinc/66/53/00/427665300.db2.gz UAFINYPGOSVBLG-SNVBAGLBSA-N -1 3 322.883 2.554 20 0 DFADHM C[C@]1(c2cc(F)ccc2F)[N-]C(=O)N(CCC(F)(F)F)C1=O ZINC000298497518 427630218 /nfs/dbraw/zinc/63/02/18/427630218.db2.gz 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319.364 2.728 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H]4CCC[C@H]43)c[n-]c12 ZINC000342556086 272022989 /nfs/dbraw/zinc/02/29/89/272022989.db2.gz LTLFLCMMLCYYQM-XHDPSFHLSA-N -1 3 314.360 2.990 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H]3C(C)C)c[n-]c12 ZINC000342564620 272025899 /nfs/dbraw/zinc/02/58/99/272025899.db2.gz IGRNENZXDKPQMD-AWEZNQCLSA-N -1 3 302.349 2.846 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N[C@@H](C)CC(F)(F)F)c(=O)c2c1 ZINC000342580639 272027729 /nfs/dbraw/zinc/02/77/29/272027729.db2.gz YSVZNEKVUVTIDV-VIFPVBQESA-N -1 3 312.291 2.907 20 0 DFADHM COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C)cc2F)c1 ZINC000342622159 272032063 /nfs/dbraw/zinc/03/20/63/272032063.db2.gz MLUNLDBGODBRHZ-UHFFFAOYSA-N -1 3 311.334 2.649 20 0 DFADHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000185276154 427625407 /nfs/dbraw/zinc/62/54/07/427625407.db2.gz QSORFSAAMUIHFC-GKQMSVHHSA-N -1 3 324.229 2.599 20 0 DFADHM O=C1[C@@H](NCc2cc([O-])cc(F)c2)CCCN1c1ccccc1 ZINC000185536295 427668508 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CC[C@@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1 ZINC000344349695 272318501 /nfs/dbraw/zinc/31/85/01/272318501.db2.gz LTPYXNIXILQNAR-CYBMUJFWSA-N -1 3 307.357 2.999 20 0 DFADHM CC[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000344349695 272318502 /nfs/dbraw/zinc/31/85/02/272318502.db2.gz LTPYXNIXILQNAR-CYBMUJFWSA-N -1 3 307.357 2.999 20 0 DFADHM CCCN(Cc1nc(CC)cc(=O)[n-]1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000344370313 272322331 /nfs/dbraw/zinc/32/23/31/272322331.db2.gz RARABWYKIHSMSF-XYPHTWIQSA-N -1 3 319.449 2.770 20 0 DFADHM Cc1nc([N-]C(=O)c2cc(Cl)c(F)cc2Cl)nn1C ZINC000344563568 272339138 /nfs/dbraw/zinc/33/91/38/272339138.db2.gz XFGOGGJAQUAVOK-UHFFFAOYSA-N -1 3 303.124 2.822 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc(-c3cncnc3)cc2)on1 ZINC000344583451 272341430 /nfs/dbraw/zinc/34/14/30/272341430.db2.gz RZYBIILRRMVLAD-LBPRGKRZSA-N -1 3 323.356 2.879 20 0 DFADHM O=c1[n-]c([C@H]2CCCCN2C[C@@H]2CCc3ccccc3C2)n[nH]1 ZINC000333756090 427684518 /nfs/dbraw/zinc/68/45/18/427684518.db2.gz 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O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCCC[C@@H]1CO ZINC000345879245 272548468 /nfs/dbraw/zinc/54/84/68/272548468.db2.gz IPHVIMBPADNCBC-HIFRSBDPSA-N -1 3 309.381 2.521 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCCC[C@H]1CO ZINC000345879254 272549258 /nfs/dbraw/zinc/54/92/58/272549258.db2.gz IPHVIMBPADNCBC-ZFWWWQNUSA-N -1 3 309.381 2.521 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2ccc3scnc3c2)[n-]1 ZINC000339689810 427812248 /nfs/dbraw/zinc/81/22/48/427812248.db2.gz UKRSLVWORHSOCC-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM COCc1nnc(Sc2nc(-c3ccccc3)ns2)[n-]1 ZINC000337237714 427820569 /nfs/dbraw/zinc/82/05/69/427820569.db2.gz CLJOSOOFNRRMLI-UHFFFAOYSA-N -1 3 305.388 2.621 20 0 DFADHM COCc1n[n-]c(Sc2nc(-c3ccccc3)ns2)n1 ZINC000337237714 427820572 /nfs/dbraw/zinc/82/05/72/427820572.db2.gz CLJOSOOFNRRMLI-UHFFFAOYSA-N -1 3 305.388 2.621 20 0 DFADHM COCc1nc(Sc2nc(-c3ccccc3)ns2)n[n-]1 ZINC000337237714 427820573 /nfs/dbraw/zinc/82/05/73/427820573.db2.gz CLJOSOOFNRRMLI-UHFFFAOYSA-N -1 3 305.388 2.621 20 0 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[O-]c1cncc(C=Cc2nc(Cc3c[nH]c4ncccc34)no2)c1 ZINC000350645505 427960382 /nfs/dbraw/zinc/96/03/82/427960382.db2.gz LWSNAIIBFHPYMB-ONEGZZNKSA-N -1 3 319.324 2.808 20 0 DFADHM CC1(C)C[C@H]1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000340243510 427965672 /nfs/dbraw/zinc/96/56/72/427965672.db2.gz GNHAJFHZKDYRNK-JTQLQIEISA-N -1 3 312.207 2.860 20 0 DFADHM CCOc1cc(-c2noc(CCOCC3CC3)n2)ccc1[O-] ZINC000350794230 427972249 /nfs/dbraw/zinc/97/22/49/427972249.db2.gz PRDCHBGKHAOIRF-UHFFFAOYSA-N -1 3 304.346 2.810 20 0 DFADHM Cc1nc2ccccc2nc1NCc1nnc(C(F)(F)F)[n-]1 ZINC000359690517 427975400 /nfs/dbraw/zinc/97/54/00/427975400.db2.gz VJNOZSZWNSNHHD-UHFFFAOYSA-N -1 3 308.267 2.687 20 0 DFADHM Cc1nc2ccccc2nc1NCc1n[n-]c(C(F)(F)F)n1 ZINC000359690517 427975406 /nfs/dbraw/zinc/97/54/06/427975406.db2.gz VJNOZSZWNSNHHD-UHFFFAOYSA-N -1 3 308.267 2.687 20 0 DFADHM Cc1nc2ccccc2nc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000359690517 427975409 /nfs/dbraw/zinc/97/54/09/427975409.db2.gz VJNOZSZWNSNHHD-UHFFFAOYSA-N -1 3 308.267 2.687 20 0 DFADHM 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ZINC000360379739 428276075 /nfs/dbraw/zinc/27/60/75/428276075.db2.gz VAUKUPHSYBSGCP-UHFFFAOYSA-N -1 3 301.375 2.877 20 0 DFADHM CCSc1cccc([N-]S(=O)(=O)CC(C)(C)OC)c1 ZINC000414378195 428278448 /nfs/dbraw/zinc/27/84/48/428278448.db2.gz YQEDHARJJBFSQM-UHFFFAOYSA-N -1 3 303.449 2.965 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3Cc4ccccc4CO3)c[n-]c12 ZINC000360397322 428283212 /nfs/dbraw/zinc/28/32/12/428283212.db2.gz WNQRSAXQAIVXMQ-UHFFFAOYSA-N -1 3 320.348 2.924 20 0 DFADHM Cc1n[nH]c(C)c1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000342044655 428284685 /nfs/dbraw/zinc/28/46/85/428284685.db2.gz SPFVZLWZRYWMCH-UHFFFAOYSA-N -1 3 316.748 2.774 20 0 DFADHM Cc1n[nH]c(C)c1NC(=O)c1cnc2c(Cl)cccc2c1[O-] ZINC000342044655 428284691 /nfs/dbraw/zinc/28/46/91/428284691.db2.gz SPFVZLWZRYWMCH-UHFFFAOYSA-N -1 3 316.748 2.774 20 0 DFADHM COc1ccc(F)c2[nH]c(C(=O)Nc3ncccc3[O-])cc21 ZINC000356730132 428286049 /nfs/dbraw/zinc/28/60/49/428286049.db2.gz NJGSIUVDYWAUAM-UHFFFAOYSA-N -1 3 301.277 2.669 20 0 DFADHM Cc1ccc(CSc2nc3c(cnn3C)c(=O)[n-]2)cc1C ZINC000356745866 428291792 /nfs/dbraw/zinc/29/17/92/428291792.db2.gz QFTBLLOMXZDHCE-UHFFFAOYSA-N -1 3 300.387 2.978 20 0 DFADHM CC(C)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(C)(C)O ZINC000360429765 428293927 /nfs/dbraw/zinc/29/39/27/428293927.db2.gz UBVVOOLWSHPIHK-INIZCTEOSA-N -1 3 311.397 2.766 20 0 DFADHM COc1ccc(SC)c(OC)c1C(=O)Nc1ncccc1[O-] ZINC000341896836 428243677 /nfs/dbraw/zinc/24/36/77/428243677.db2.gz BDVVCJYMKSYBOH-UHFFFAOYSA-N -1 3 320.370 2.779 20 0 DFADHM C[C@@H]1CCc2ccccc2N1CCC(=O)Nc1ncccc1[O-] ZINC000341898091 428243708 /nfs/dbraw/zinc/24/37/08/428243708.db2.gz FJZMXLKVCNYQHP-CYBMUJFWSA-N -1 3 311.385 2.957 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)c1F ZINC000341896268 428244927 /nfs/dbraw/zinc/24/49/27/428244927.db2.gz JBUSQCPBKQSQGJ-BZNIZROVSA-N -1 3 321.373 2.935 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000356592926 428246274 /nfs/dbraw/zinc/24/62/74/428246274.db2.gz KWQGSZMVMXKBOZ-OAHLLOKOSA-N -1 3 320.389 2.959 20 0 DFADHM C[C@@H]1C[C@@H](CNC(=O)CCCc2ccc([O-])c(F)c2)CCO1 ZINC000346640769 428251686 /nfs/dbraw/zinc/25/16/86/428251686.db2.gz RYHIPOWXJBLELX-OCCSQVGLSA-N -1 3 309.381 2.785 20 0 DFADHM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000356610359 428252938 /nfs/dbraw/zinc/25/29/38/428252938.db2.gz CAKIRUREZAFGJB-MEDUHNTESA-N -1 3 320.352 2.724 20 0 DFADHM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cn[n-]c1-c1ccccn1 ZINC000356610359 428252940 /nfs/dbraw/zinc/25/29/40/428252940.db2.gz CAKIRUREZAFGJB-MEDUHNTESA-N -1 3 320.352 2.724 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)[n-]c(=O)n1 ZINC000352821291 428262869 /nfs/dbraw/zinc/26/28/69/428262869.db2.gz AMPMDKRUSDQUBR-HUUCEWRRSA-N -1 3 311.385 2.947 20 0 DFADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccnc(Oc2ccccc2)c1 ZINC000414470445 428308379 /nfs/dbraw/zinc/30/83/79/428308379.db2.gz OVHKTSXTAKVETN-LBPRGKRZSA-N -1 3 322.386 2.651 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)OCCC(C)C)c([O-])c1 ZINC000356797363 428311898 /nfs/dbraw/zinc/31/18/98/428311898.db2.gz LYAGKRBMKHEYAO-GFCCVEGCSA-N -1 3 323.389 2.959 20 0 DFADHM COC(=O)[C@H](CC1CC1)NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000414481577 428313869 /nfs/dbraw/zinc/31/38/69/428313869.db2.gz CCTWBYJUMKVMFI-ZDUSSCGKSA-N -1 3 317.307 2.842 20 0 DFADHM Cc1nccn1-c1ccc([C@@H](C)NCc2cnc(C)[n-]c2=O)cc1 ZINC000346786592 428317999 /nfs/dbraw/zinc/31/79/99/428317999.db2.gz DQVQMESGIBXPBB-GFCCVEGCSA-N -1 3 323.400 2.836 20 0 DFADHM O=C(N[C@H]1CCc2[nH]cnc2C1)c1cc2ccccc2cc1[O-] ZINC000370903955 428318403 /nfs/dbraw/zinc/31/84/03/428318403.db2.gz YUKYPBQLCLWHQV-ZDUSSCGKSA-N -1 3 307.353 2.556 20 0 DFADHM O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc2ccccc2cc1[O-] ZINC000370903955 428318409 /nfs/dbraw/zinc/31/84/09/428318409.db2.gz YUKYPBQLCLWHQV-ZDUSSCGKSA-N -1 3 307.353 2.556 20 0 DFADHM Cc1ncc(CN[C@H]2CCCOc3cc(F)ccc32)c(=O)[n-]1 ZINC000346793472 428319591 /nfs/dbraw/zinc/31/95/91/428319591.db2.gz LEYXQOOEANKSHR-AWEZNQCLSA-N -1 3 303.337 2.633 20 0 DFADHM Cc1ncc(CN[C@@H]2CCSc3ccc(F)cc32)c(=O)[n-]1 ZINC000346790426 428319784 /nfs/dbraw/zinc/31/97/84/428319784.db2.gz ILNPBXWGVDSTIZ-CYBMUJFWSA-N -1 3 305.378 2.956 20 0 DFADHM Cc1ncc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)c(=O)[n-]1 ZINC000346800023 428322753 /nfs/dbraw/zinc/32/27/53/428322753.db2.gz QPICAPZEYYJRHO-NSHDSACASA-N -1 3 315.373 2.503 20 0 DFADHM CCc1nc([C@@H]2CCCCN2C(=O)c2ccccc2[O-])no1 ZINC000370938261 428322764 /nfs/dbraw/zinc/32/27/64/428322764.db2.gz YEIYZIHQBAECCV-LBPRGKRZSA-N -1 3 301.346 2.705 20 0 DFADHM Cc1ncc(CN[C@@H](C)c2ccc(-n3cccn3)cc2)c(=O)[n-]1 ZINC000346798909 428322970 /nfs/dbraw/zinc/32/29/70/428322970.db2.gz PPJRMDLINJXMSD-LBPRGKRZSA-N -1 3 309.373 2.527 20 0 DFADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccco3)c2)n1 ZINC000378164235 428324174 /nfs/dbraw/zinc/32/41/74/428324174.db2.gz MCKJDZXVPARKEI-UHFFFAOYSA-N -1 3 309.325 2.932 20 0 DFADHM O=C1CCCN1[C@H]1CCCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000414544923 428333698 /nfs/dbraw/zinc/33/36/98/428333698.db2.gz DVQQXCDYXLFHOY-HNNXBMFYSA-N -1 3 306.381 2.508 20 0 DFADHM O=C(CCc1ncc[nH]1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000356847475 428336439 /nfs/dbraw/zinc/33/64/39/428336439.db2.gz LEJGHZVGDYKBTP-UHFFFAOYSA-N -1 3 315.251 2.585 20 0 DFADHM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000360544580 428341054 /nfs/dbraw/zinc/34/10/54/428341054.db2.gz CPEYSBXMIMTJFY-AWEZNQCLSA-N -1 3 315.373 2.723 20 0 DFADHM C[C@@H]1[C@@H](CO)CCCN1Cc1cccc([O-])c1Br ZINC000414560510 428341585 /nfs/dbraw/zinc/34/15/85/428341585.db2.gz AUNNUMNUVDSCOC-ZYHUDNBSSA-N -1 3 314.223 2.748 20 0 DFADHM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1ccccc1F ZINC000342111700 428303992 /nfs/dbraw/zinc/30/39/92/428303992.db2.gz LZVRUQXHIGPRKL-UHFFFAOYSA-N -1 3 304.346 2.786 20 0 DFADHM COc1ccccc1C1CC(NC(=O)c2ccc3n[n-]nc3c2)C1 ZINC000370818744 428304889 /nfs/dbraw/zinc/30/48/89/428304889.db2.gz KGPPJLWKFMTIFT-UHFFFAOYSA-N -1 3 322.368 2.643 20 0 DFADHM Cc1ccc2c(c1)N(CCC[N-]C(=O)C(F)(F)F)CCCO2 ZINC000360670974 428392054 /nfs/dbraw/zinc/39/20/54/428392054.db2.gz JDUPBTJZIMRUMU-UHFFFAOYSA-N -1 3 316.323 2.653 20 0 DFADHM CCc1cc(=O)[n-]c(CN2[C@@H](C)COC[C@@H]2c2ccccc2)n1 ZINC000360671325 428393284 /nfs/dbraw/zinc/39/32/84/428393284.db2.gz KCYLBSFAWDPFOV-XJKSGUPXSA-N -1 3 313.401 2.707 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H]2COc3ccc(C)cc32)c(C)o1 ZINC000378459941 428401543 /nfs/dbraw/zinc/40/15/43/428401543.db2.gz UTXBSBAVJVNIDO-ZDUSSCGKSA-N -1 3 307.371 2.617 20 0 DFADHM Cc1nc(C[N-]c2nc(-c3ccc(C)cc3)no2)c2n1CCCC2 ZINC000378495419 428411346 /nfs/dbraw/zinc/41/13/46/428411346.db2.gz OBNMJHGFAFSYIV-UHFFFAOYSA-N -1 3 323.400 3.498 20 0 DFADHM CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CC1 ZINC000347028619 428412874 /nfs/dbraw/zinc/41/28/74/428412874.db2.gz UWJBJZBEFAOEJV-UHFFFAOYSA-N -1 3 321.174 2.525 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CCC2(Cc3ccccc3C2)C1 ZINC000378302623 428357369 /nfs/dbraw/zinc/35/73/69/428357369.db2.gz AEVNYZSYHYOICD-UHFFFAOYSA-N -1 3 318.380 2.589 20 0 DFADHM C[C@@H](CC(=O)[O-])NCc1c(F)ccc(Br)c1F ZINC000414637367 428360055 /nfs/dbraw/zinc/36/00/55/428360055.db2.gz LYCZBJIQSRZCLO-LURJTMIESA-N -1 3 308.122 2.680 20 0 DFADHM COCCN(Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCCSC1 ZINC000414641240 428363106 /nfs/dbraw/zinc/36/31/06/428363106.db2.gz SZZAIQKGMMULTA-OAHLLOKOSA-N -1 3 309.431 2.729 20 0 DFADHM COC(=O)c1ccc(-c2ccc(CN[C@H](C)CC(=O)[O-])o2)cc1 ZINC000414639648 428364105 /nfs/dbraw/zinc/36/41/05/428364105.db2.gz PZVXQSNBGXDRMZ-LLVKDONJSA-N -1 3 317.341 2.686 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCn3cncc3C2)c1[O-] ZINC000371147437 428368252 /nfs/dbraw/zinc/36/82/52/428368252.db2.gz UHAKQSMPNFLYDK-JTQLQIEISA-N -1 3 305.765 2.752 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H]1CCC[C@@H](CO)C1 ZINC000360633709 428377006 /nfs/dbraw/zinc/37/70/06/428377006.db2.gz FKCGUUZAHOZVOL-VXGBXAGGSA-N -1 3 311.809 2.503 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000378380258 428383490 /nfs/dbraw/zinc/38/34/90/428383490.db2.gz VFBUGENJRKXAPO-CABCVRRESA-N -1 3 320.414 2.906 20 0 DFADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c(C)n1C ZINC000353102882 428386739 /nfs/dbraw/zinc/38/67/39/428386739.db2.gz UHHZZDYABNVQMG-UHFFFAOYSA-N -1 3 313.336 2.818 20 0 DFADHM CSc1nnc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)[n-]1 ZINC000357224589 428443690 /nfs/dbraw/zinc/44/36/90/428443690.db2.gz YBLCBFQHNHZAAU-YUMQZZPRSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)n1 ZINC000357224589 428443693 /nfs/dbraw/zinc/44/36/93/428443693.db2.gz YBLCBFQHNHZAAU-YUMQZZPRSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1nc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)n[n-]1 ZINC000357224589 428443699 /nfs/dbraw/zinc/44/36/99/428443699.db2.gz YBLCBFQHNHZAAU-YUMQZZPRSA-N -1 3 310.329 2.547 20 0 DFADHM Cc1c(C(=O)Nc2ccc([O-])cc2F)[nH]c2c1C(=O)CCC2 ZINC000360830808 428454998 /nfs/dbraw/zinc/45/49/98/428454998.db2.gz AAKCAEMRLCIUNF-UHFFFAOYSA-N -1 3 302.305 2.939 20 0 DFADHM C[C@@H](CCC(C)(C)C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000360839612 428458747 /nfs/dbraw/zinc/45/87/47/428458747.db2.gz IPQXIGLKCNCWEP-QMMMGPOBSA-N -1 3 306.332 2.902 20 0 DFADHM C[C@@H](CCC(C)(C)C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000360839612 428458754 /nfs/dbraw/zinc/45/87/54/428458754.db2.gz IPQXIGLKCNCWEP-QMMMGPOBSA-N -1 3 306.332 2.902 20 0 DFADHM C[C@@H](CCC(C)(C)C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000360839612 428458759 /nfs/dbraw/zinc/45/87/59/428458759.db2.gz IPQXIGLKCNCWEP-QMMMGPOBSA-N -1 3 306.332 2.902 20 0 DFADHM Cc1cccc([C@H](C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000360838479 428459438 /nfs/dbraw/zinc/45/94/38/428459438.db2.gz URYSCYQRRPXOMM-VIFPVBQESA-N -1 3 312.295 2.552 20 0 DFADHM Cc1cccc([C@H](C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000360838479 428459443 /nfs/dbraw/zinc/45/94/43/428459443.db2.gz URYSCYQRRPXOMM-VIFPVBQESA-N -1 3 312.295 2.552 20 0 DFADHM Cc1cccc([C@H](C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000360838479 428459448 /nfs/dbraw/zinc/45/94/48/428459448.db2.gz URYSCYQRRPXOMM-VIFPVBQESA-N -1 3 312.295 2.552 20 0 DFADHM C=Cc1ccc(CCNC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000360727741 428417514 /nfs/dbraw/zinc/41/75/14/428417514.db2.gz AYZSQHUIPBEVJP-UHFFFAOYSA-N -1 3 324.380 2.966 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccon1 ZINC000342369096 428420283 /nfs/dbraw/zinc/42/02/83/428420283.db2.gz GGYJYVGQRNPVLQ-ZETCQYMHSA-N -1 3 304.730 2.507 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CC=C(c3cncc(F)c3)CC2)n1 ZINC000378531851 428422546 /nfs/dbraw/zinc/42/25/46/428422546.db2.gz JTJBNAFOKVGMET-UHFFFAOYSA-N -1 3 314.364 2.568 20 0 DFADHM Cc1cccc(C2(C[N-]S(=O)(=O)c3c[nH]cn3)CCCC2)c1 ZINC000347044780 428423294 /nfs/dbraw/zinc/42/32/94/428423294.db2.gz SAOCVKCCELBQOP-UHFFFAOYSA-N -1 3 319.430 2.508 20 0 DFADHM Cc1cnc(-c2noc(-c3cc(-c4cccs4)[n-]n3)n2)nc1 ZINC000357186844 428424485 /nfs/dbraw/zinc/42/44/85/428424485.db2.gz LMEOPUWPLDEXAQ-UHFFFAOYSA-N -1 3 310.342 2.954 20 0 DFADHM COC(=O)C[C@@H]1CN(Cc2nc(C)ccc2[O-])c2ccccc21 ZINC000378559822 428427187 /nfs/dbraw/zinc/42/71/87/428427187.db2.gz DHBRYRNCRUEHNJ-CYBMUJFWSA-N -1 3 312.369 2.763 20 0 DFADHM O=S(=O)([N-]CCCCC1CCCC1)c1cncc(F)c1 ZINC000360753140 428427661 /nfs/dbraw/zinc/42/76/61/428427661.db2.gz XJMYXICXNBVXNZ-UHFFFAOYSA-N -1 3 300.399 2.860 20 0 DFADHM O=C(c1cccc([O-])c1)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000378561160 428428277 /nfs/dbraw/zinc/42/82/77/428428277.db2.gz BYTBGMANOPJETL-OAHLLOKOSA-N -1 3 307.353 2.829 20 0 DFADHM CC(C)NC(=O)Cc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000357200264 428430987 /nfs/dbraw/zinc/43/09/87/428430987.db2.gz CZZQAMKOPMNVJS-UHFFFAOYSA-N -1 3 312.369 2.712 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)C2CC2)c1 ZINC000353315441 428483235 /nfs/dbraw/zinc/48/32/35/428483235.db2.gz CEKYKJNBIFWLNA-INIZCTEOSA-N -1 3 319.430 2.641 20 0 DFADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(=O)[nH]c1 ZINC000357331781 428486487 /nfs/dbraw/zinc/48/64/87/428486487.db2.gz RCNCTJQFPZZLTM-UHFFFAOYSA-N -1 3 322.317 2.782 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)[n-]c(=O)n1 ZINC000343158314 428531014 /nfs/dbraw/zinc/53/10/14/428531014.db2.gz 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/nfs/dbraw/zinc/51/42/78/428514278.db2.gz DTKXSAXJXWDTFQ-BBRMVZONSA-N -1 3 311.385 2.855 20 0 DFADHM CSc1nnc(NC(=O)[C@@H](C)CSc2ccccc2)[n-]1 ZINC000347257040 428515171 /nfs/dbraw/zinc/51/51/71/428515171.db2.gz AZDYUONTDCRLGT-VIFPVBQESA-N -1 3 308.432 2.894 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H](C)CSc2ccccc2)n1 ZINC000347257040 428515181 /nfs/dbraw/zinc/51/51/81/428515181.db2.gz AZDYUONTDCRLGT-VIFPVBQESA-N -1 3 308.432 2.894 20 0 DFADHM CSc1nc(NC(=O)[C@@H](C)CSc2ccccc2)n[n-]1 ZINC000347257040 428515183 /nfs/dbraw/zinc/51/51/83/428515183.db2.gz AZDYUONTDCRLGT-VIFPVBQESA-N -1 3 308.432 2.894 20 0 DFADHM COc1cc(C)c(NC(=O)NCc2ncccc2[O-])cc1C ZINC000347258192 428518274 /nfs/dbraw/zinc/51/82/74/428518274.db2.gz ATRDEBDRFXDRPJ-UHFFFAOYSA-N -1 3 301.346 2.734 20 0 DFADHM C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCOC1 ZINC000357413112 428522883 /nfs/dbraw/zinc/52/28/83/428522883.db2.gz NBLIAXSWDOQLMH-GFCCVEGCSA-N -1 3 324.229 2.841 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 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O=C(Nc1ccc(O)cc1)c1cnc2c(F)cc(F)cc2c1[O-] ZINC000362365097 428718311 /nfs/dbraw/zinc/71/83/11/428718311.db2.gz MSBVQEUCERIFBY-UHFFFAOYSA-N -1 3 316.263 2.764 20 0 DFADHM O=C(N[C@@H]1COc2ccc(F)cc21)c1cc(=O)c2ccccc2[n-]1 ZINC000344975913 428732117 /nfs/dbraw/zinc/73/21/17/428732117.db2.gz HXHCVTFFIRODRN-OAHLLOKOSA-N -1 3 324.311 2.531 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)C[C@@H]2CCCCNC2=O)c([O-])c1 ZINC000374480451 428681494 /nfs/dbraw/zinc/68/14/94/428681494.db2.gz VDPKIUJFTNHTHQ-LBPRGKRZSA-N -1 3 318.417 2.935 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC2(CCO2)CC1 ZINC000374476100 428681851 /nfs/dbraw/zinc/68/18/51/428681851.db2.gz PQYRJWCQPDADHA-UHFFFAOYSA-N -1 3 315.291 2.806 20 0 DFADHM O=C([N-]CCCN1CC[C@@](F)(c2ccccc2)C1)C(F)(F)F ZINC000374519597 428693902 /nfs/dbraw/zinc/69/39/02/428693902.db2.gz KGPIETHOLILUHY-AWEZNQCLSA-N -1 3 318.314 2.626 20 0 DFADHM Cc1ncc(CNC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)c(=O)[n-]1 ZINC000345101076 428752963 /nfs/dbraw/zinc/75/29/63/428752963.db2.gz 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318.417 2.549 20 0 DFADHM CC(C)C[C@]1(C)CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000452515724 429123655 /nfs/dbraw/zinc/12/36/55/429123655.db2.gz VGVNEUXTYXUSSV-KRWDZBQOSA-N -1 3 316.405 2.715 20 0 DFADHM CCC(CC)(CNCc1nccn1Cc1ccccc1)C(=O)[O-] ZINC000424416486 429137854 /nfs/dbraw/zinc/13/78/54/429137854.db2.gz VGFNZFYHYUCTPR-UHFFFAOYSA-N -1 3 315.417 2.912 20 0 DFADHM C[C@@H]1CCCN(Cc2nc3ccc(Cl)cc3n2C)[C@@H]1C(=O)[O-] ZINC000424419308 429138023 /nfs/dbraw/zinc/13/80/23/429138023.db2.gz OCWCEEPSRMFFEF-BMIGLBTASA-N -1 3 321.808 2.912 20 0 DFADHM Cc1ccc(NCc2cc([O-])cc(F)c2)cc1N1CCNC1=O ZINC000487175683 429138583 /nfs/dbraw/zinc/13/85/83/429138583.db2.gz UKBWQZRXKUCJAS-UHFFFAOYSA-N -1 3 315.348 2.981 20 0 DFADHM COc1cc2c(c(CN3CCC[C@H](C)[C@H]3C(=O)[O-])c1)O[C@H](C)C2 ZINC000424422406 429138875 /nfs/dbraw/zinc/13/88/75/429138875.db2.gz SOZIEKQJGUEXRM-OZVIIMIRSA-N -1 3 319.401 2.704 20 0 DFADHM O=C([N-]c1nnc2ccccn21)c1cc(-c2ccc(F)cc2)on1 ZINC000134498454 275002825 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CC(C)[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1cccnc1 ZINC000436131768 429183001 /nfs/dbraw/zinc/18/30/01/429183001.db2.gz QRIKLJITBJOCDA-SECBINFHSA-N -1 3 313.283 2.597 20 0 DFADHM CC(C)[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1cccnc1 ZINC000436131768 429183004 /nfs/dbraw/zinc/18/30/04/429183004.db2.gz QRIKLJITBJOCDA-SECBINFHSA-N -1 3 313.283 2.597 20 0 DFADHM C[C@@]1(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H]1F ZINC000424743597 429184707 /nfs/dbraw/zinc/18/47/07/429184707.db2.gz TWEFMLZAQGFGTR-ZYHUDNBSSA-N -1 3 302.143 2.519 20 0 DFADHM O=C(Nc1cnn(C(F)F)c1)c1cn[n-]c1-c1ccsc1 ZINC000436241829 429190318 /nfs/dbraw/zinc/19/03/18/429190318.db2.gz DIMNGBMWERPTQY-UHFFFAOYSA-N -1 3 309.301 2.982 20 0 DFADHM O=C(Nc1cnn(C(F)F)c1)c1c[n-]nc1-c1ccsc1 ZINC000436241829 429190321 /nfs/dbraw/zinc/19/03/21/429190321.db2.gz DIMNGBMWERPTQY-UHFFFAOYSA-N -1 3 309.301 2.982 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000488907235 429206624 /nfs/dbraw/zinc/20/66/24/429206624.db2.gz 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O=C(Nc1ccnc2ccncc21)c1cn[n-]c1-c1ccsc1 ZINC000444166545 429265455 /nfs/dbraw/zinc/26/54/55/429265455.db2.gz JKUUCUKBNYRNEX-UHFFFAOYSA-N -1 3 321.365 2.756 20 0 DFADHM O=C(Nc1ccnc2ccncc21)c1c[n-]nc1-c1ccsc1 ZINC000444166545 429265458 /nfs/dbraw/zinc/26/54/58/429265458.db2.gz JKUUCUKBNYRNEX-UHFFFAOYSA-N -1 3 321.365 2.756 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]C(C)(C)c2ccccc2F)s1 ZINC000490441038 429289236 /nfs/dbraw/zinc/28/92/36/429289236.db2.gz FSMNQOATAXBEAW-UHFFFAOYSA-N -1 3 314.407 2.804 20 0 DFADHM CCc1ccc(C(=O)N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c([O-])c1 ZINC000456291415 429270170 /nfs/dbraw/zinc/27/01/70/429270170.db2.gz AHTPJNBVBAEHLI-ILXRZTDVSA-N -1 3 303.402 2.578 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)[C@H](OC)C3CC3)ccc2[n-]1 ZINC000456537138 429320567 /nfs/dbraw/zinc/32/05/67/429320567.db2.gz AVSLEIQQUFOXDP-BONVTDFDSA-N -1 3 317.389 2.505 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)[C@H](OC)C3CC3)cc2[n-]1 ZINC000456537138 429320572 /nfs/dbraw/zinc/32/05/72/429320572.db2.gz 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CC(C)C(=O)Nc1cccc(NC(=O)Cc2cncc([O-])c2)c1 ZINC000580666949 430141718 /nfs/dbraw/zinc/14/17/18/430141718.db2.gz JKCLBOAHRISWJF-UHFFFAOYSA-N -1 3 313.357 2.563 20 0 DFADHM Cc1nocc1[N-]C(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000640485843 430182967 /nfs/dbraw/zinc/18/29/67/430182967.db2.gz KBOXOKAWJDZABT-JTQLQIEISA-N -1 3 307.375 2.894 20 0 DFADHM CCc1cnc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)o1 ZINC000581369484 430202785 /nfs/dbraw/zinc/20/27/85/430202785.db2.gz CRQANFSEBNJQFZ-CABCVRRESA-N -1 3 300.358 2.537 20 0 DFADHM O=C([O-])[C@@H](C1CC1)N1CCc2cccc(Br)c2C1 ZINC000635016718 430198401 /nfs/dbraw/zinc/19/84/01/430198401.db2.gz OFKLJBNHLBTKPY-CYBMUJFWSA-N -1 3 310.191 2.670 20 0 DFADHM CO[C@@H]1CCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)[C@H](C)C1 ZINC000282413609 277291762 /nfs/dbraw/zinc/29/17/62/277291762.db2.gz DMZVBMNNKUKYGX-CHWSQXEVSA-N -1 3 314.385 2.888 20 0 DFADHM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000581559733 430222125 /nfs/dbraw/zinc/22/21/25/430222125.db2.gz 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COC(=O)c1coc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000186310735 277449735 /nfs/dbraw/zinc/44/97/35/277449735.db2.gz QMXPXFOWIHTCQZ-JTQLQIEISA-N -1 3 315.325 2.926 20 0 DFADHM O=C(NC[C@H]1CCCCS1)c1cc(=O)c2ccccc2[n-]1 ZINC000544273957 430277681 /nfs/dbraw/zinc/27/76/81/430277681.db2.gz WAZJMGGTCIXWMU-LLVKDONJSA-N -1 3 302.399 2.544 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2cnn(-c3ccccc3F)c2)n1 ZINC000544325214 430279587 /nfs/dbraw/zinc/27/95/87/430279587.db2.gz OYSNYSNOFDXUGH-UHFFFAOYSA-N -1 3 312.304 2.673 20 0 DFADHM CC(C)c1noc(OCc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000566076040 430239391 /nfs/dbraw/zinc/23/93/91/430239391.db2.gz MOFVVLFIXGKCNK-UHFFFAOYSA-N -1 3 312.329 2.935 20 0 DFADHM [O-]c1ccc(-c2noc(-c3ccnc(N4CCCCC4)n3)n2)cc1 ZINC000545174078 430304918 /nfs/dbraw/zinc/30/49/18/430304918.db2.gz FOSFVJHZQFDSIS-UHFFFAOYSA-N -1 3 323.356 2.890 20 0 DFADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)[C@H]1C[C@@]12CCOC2 ZINC000582521930 430306689 /nfs/dbraw/zinc/30/66/89/430306689.db2.gz 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/nfs/dbraw/zinc/31/48/03/430314803.db2.gz MJRJOVBYYFXUOI-UHFFFAOYSA-N -1 3 315.369 2.661 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CC[C@H](COCc2ccccc2)C1 ZINC000545308924 430314867 /nfs/dbraw/zinc/31/48/67/430314867.db2.gz ZQTCORICRVIZSI-ZDUSSCGKSA-N -1 3 318.398 2.528 20 0 DFADHM Cc1cc(C)c(O)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000641076398 430321980 /nfs/dbraw/zinc/32/19/80/430321980.db2.gz AREKYWJBFWBIIE-UHFFFAOYSA-N -1 3 315.373 2.693 20 0 DFADHM COc1ccc(C)nc1[N-]C(=O)c1coc(C(F)(F)F)n1 ZINC000635640848 430334252 /nfs/dbraw/zinc/33/42/52/430334252.db2.gz NOBRCIAZBXQFKH-UHFFFAOYSA-N -1 3 301.224 2.658 20 0 DFADHM CC[C@@H](CNC(=O)Cc1cncc([O-])c1)Oc1cccc(C)c1 ZINC000568232559 430336709 /nfs/dbraw/zinc/33/67/09/430336709.db2.gz UXUFBQBLAZCRGZ-INIZCTEOSA-N -1 3 314.385 2.612 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cccc3nn[n-]c32)C1 ZINC000545986512 430338945 /nfs/dbraw/zinc/33/89/45/430338945.db2.gz DRMRTOLFTTWTDQ-JOCQHMNTSA-N -1 3 306.369 2.942 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cccc3[n-]nnc32)C1 ZINC000545986512 430338948 /nfs/dbraw/zinc/33/89/48/430338948.db2.gz DRMRTOLFTTWTDQ-JOCQHMNTSA-N -1 3 306.369 2.942 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC000545986512 430338953 /nfs/dbraw/zinc/33/89/53/430338953.db2.gz DRMRTOLFTTWTDQ-JOCQHMNTSA-N -1 3 306.369 2.942 20 0 DFADHM CCn1cc(C2CCN(Cc3cccc(C(=O)[O-])c3)CC2)cn1 ZINC000582851294 430341230 /nfs/dbraw/zinc/34/12/30/430341230.db2.gz MLQYLQJYZCNHOB-UHFFFAOYSA-N -1 3 313.401 2.981 20 0 DFADHM C[C@]12CN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000582975049 430352815 /nfs/dbraw/zinc/35/28/15/430352815.db2.gz LGPCSVKNDTXMOT-SJBDTSRBSA-N -1 3 313.401 2.568 20 0 DFADHM CCOC(=O)CC(C)(C)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000568395832 430355054 /nfs/dbraw/zinc/35/50/54/430355054.db2.gz ZJGDPKMZVBLTEO-UHFFFAOYSA-N -1 3 321.373 2.903 20 0 DFADHM CCc1cccc(C(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)c1[O-] ZINC000568470049 430359958 /nfs/dbraw/zinc/35/99/58/430359958.db2.gz RCCZAPMKAXRCGO-UHFFFAOYSA-N -1 3 311.341 2.799 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCCCN(C)C2=O)c1[O-] ZINC000635740622 430363588 /nfs/dbraw/zinc/36/35/88/430363588.db2.gz OUOFKVJGQGNJJU-LLVKDONJSA-N -1 3 310.781 2.551 20 0 DFADHM CC(=O)c1cccc(NC(=O)CCc2nc(C(C)C)no2)c1[O-] ZINC000583195223 430373649 /nfs/dbraw/zinc/37/36/49/430373649.db2.gz KMOSIGZPXNDCHX-UHFFFAOYSA-N -1 3 317.345 2.673 20 0 DFADHM CCC[C@H](C)S(=O)(=O)[N-]c1cccc(C(=O)OC)c1F ZINC000568633265 430376940 /nfs/dbraw/zinc/37/69/40/430376940.db2.gz GSECIOLHIGVEQN-VIFPVBQESA-N -1 3 303.355 2.543 20 0 DFADHM CO[C@H]1C[C@H](C(=O)[O-])N(Cc2c(C)c(C)c(C)c(C)c2C)C1 ZINC000568641299 430378060 /nfs/dbraw/zinc/37/80/60/430378060.db2.gz IKDLSSJIKDOERD-DOTOQJQBSA-N -1 3 305.418 2.903 20 0 DFADHM O=C([O-])[C@@H](c1cccnc1)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000568664726 430381830 /nfs/dbraw/zinc/38/18/30/430381830.db2.gz RKPPCEQTYIEPFY-MJGOQNOKSA-N -1 3 324.380 2.677 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)c1nc(C)cs1 ZINC000641317987 430382243 /nfs/dbraw/zinc/38/22/43/430382243.db2.gz DNYVSYGSBYJILW-MWLCHTKSSA-N -1 3 324.418 2.867 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]c2=O)c2c([O-])cccc21 ZINC000635808875 430382646 /nfs/dbraw/zinc/38/26/46/430382646.db2.gz YIOMEHXRVPHHJL-SECBINFHSA-N -1 3 302.305 2.786 20 0 DFADHM CCc1cc(C(=O)NCc2ccc3cnn(C)c3c2)ccc1[O-] ZINC000583358209 430388588 /nfs/dbraw/zinc/38/85/88/430388588.db2.gz DQPQPJMFBZZKOD-UHFFFAOYSA-N -1 3 309.369 2.771 20 0 DFADHM O=C(NCC1(C2CCC2)CCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568762849 430390728 /nfs/dbraw/zinc/39/07/28/430390728.db2.gz KXIRSQNMUARDJH-UHFFFAOYSA-N -1 3 301.390 2.760 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000547429669 430392438 /nfs/dbraw/zinc/39/24/38/430392438.db2.gz VUPKRAKFOMQSAL-LBPRGKRZSA-N -1 3 314.370 2.702 20 0 DFADHM COCc1nc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)co1 ZINC000547522002 430402881 /nfs/dbraw/zinc/40/28/81/430402881.db2.gz QONOWVIRAGMMDU-SNVBAGLBSA-N -1 3 302.330 2.681 20 0 DFADHM 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ZINC000553407070 430615582 /nfs/dbraw/zinc/61/55/82/430615582.db2.gz WZAHOMBTJCSPKT-UHFFFAOYSA-N -1 3 310.357 2.899 20 0 DFADHM COCC1([N-]S(=O)(=O)c2cc(C)c(Cl)s2)CCCC1 ZINC000571463633 430630398 /nfs/dbraw/zinc/63/03/98/430630398.db2.gz HOJSBZIUZNCPKL-UHFFFAOYSA-N -1 3 323.867 2.947 20 0 DFADHM COCCN(CC(=O)[O-])Cc1ccc(OC(C)C)c(Cl)c1 ZINC000571497036 430631347 /nfs/dbraw/zinc/63/13/47/430631347.db2.gz JXEUDWBRPPNZSF-UHFFFAOYSA-N -1 3 315.797 2.660 20 0 DFADHM C[C@@H]1CC[C@H](CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)O1 ZINC000571570793 430638074 /nfs/dbraw/zinc/63/80/74/430638074.db2.gz JFXPBEHMNCYLSX-DGCLKSJQSA-N -1 3 313.344 2.809 20 0 DFADHM COc1cccc2c1O[C@@H](c1cc(F)c(F)c(F)c1)[N-]C2=O ZINC000639436443 430638805 /nfs/dbraw/zinc/63/88/05/430638805.db2.gz VGJVOMKSALRMDH-HNNXBMFYSA-N -1 3 309.243 2.934 20 0 DFADHM CCc1nn(C)cc1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000643898523 430641263 /nfs/dbraw/zinc/64/12/63/430641263.db2.gz BUSWZFCJEIVFJD-MLGOLLRUSA-N -1 3 301.390 2.534 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(CO)c1 ZINC000643937758 430643745 /nfs/dbraw/zinc/64/37/45/430643745.db2.gz NJXFNKSYJKACQA-UHFFFAOYSA-N -1 3 322.158 2.899 20 0 DFADHM CC1(CNC(=O)c2cc(F)cc3nn[n-]c32)Cc2ccccc2C1 ZINC000554570340 430643985 /nfs/dbraw/zinc/64/39/85/430643985.db2.gz BPEPLOYLMZJSTI-UHFFFAOYSA-N -1 3 324.359 2.632 20 0 DFADHM CC1(CNC(=O)c2cc(F)cc3[n-]nnc32)Cc2ccccc2C1 ZINC000554570340 430643988 /nfs/dbraw/zinc/64/39/88/430643988.db2.gz BPEPLOYLMZJSTI-UHFFFAOYSA-N -1 3 324.359 2.632 20 0 DFADHM CC1(CNC(=O)c2cc(F)cc3n[n-]nc32)Cc2ccccc2C1 ZINC000554570340 430643990 /nfs/dbraw/zinc/64/39/90/430643990.db2.gz BPEPLOYLMZJSTI-UHFFFAOYSA-N -1 3 324.359 2.632 20 0 DFADHM O=C(NC1(Cc2ccccc2)CCC1)c1cc(F)cc2nn[n-]c21 ZINC000554568702 430644004 /nfs/dbraw/zinc/64/40/04/430644004.db2.gz POYYISYYXAAHEB-UHFFFAOYSA-N -1 3 324.359 2.992 20 0 DFADHM O=C(NC1(Cc2ccccc2)CCC1)c1cc(F)cc2[n-]nnc21 ZINC000554568702 430644007 /nfs/dbraw/zinc/64/40/07/430644007.db2.gz POYYISYYXAAHEB-UHFFFAOYSA-N -1 3 324.359 2.992 20 0 DFADHM O=C(NC1(Cc2ccccc2)CCC1)c1cc(F)cc2n[n-]nc21 ZINC000554568702 430644010 /nfs/dbraw/zinc/64/40/10/430644010.db2.gz POYYISYYXAAHEB-UHFFFAOYSA-N -1 3 324.359 2.992 20 0 DFADHM CCc1cc(C(=O)NCCN2Cc3ccccc3C2)ccc1[O-] ZINC000643964119 430644501 /nfs/dbraw/zinc/64/45/01/430644501.db2.gz FKVRSTUCKXYKNQ-UHFFFAOYSA-N -1 3 310.397 2.700 20 0 DFADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@@H](COC(F)F)C1 ZINC000571658826 430645045 /nfs/dbraw/zinc/64/50/45/430645045.db2.gz UBDBIJAELQHNSK-SECBINFHSA-N -1 3 305.346 2.816 20 0 DFADHM [O-]c1cccnc1CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000571925812 430661875 /nfs/dbraw/zinc/66/18/75/430661875.db2.gz XHRAVFRWPWVQJF-BBRMVZONSA-N -1 3 306.312 2.685 20 0 DFADHM CC(C)CCN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)C1CCCC1 ZINC000555269722 430664334 /nfs/dbraw/zinc/66/43/34/430664334.db2.gz SMFMGKXYOUDCAO-UHFFFAOYSA-N -1 3 320.437 2.679 20 0 DFADHM CCc1ccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000572039590 430669184 /nfs/dbraw/zinc/66/91/84/430669184.db2.gz WYDFRQRLIVTXNI-XEZPLFJOSA-N -1 3 318.417 2.619 20 0 DFADHM O=C(Nc1cccc([O-])c1F)c1cnnn1-c1cccc(F)c1 ZINC000556062534 430678221 /nfs/dbraw/zinc/67/82/21/430678221.db2.gz FJPNWKZLECYOQE-UHFFFAOYSA-N -1 3 316.267 2.503 20 0 DFADHM CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc([O-])c(Cl)c1 ZINC000572271631 430679114 /nfs/dbraw/zinc/67/91/14/430679114.db2.gz MRJGLMQCFRUGGA-ZDUSSCGKSA-N -1 3 310.825 2.992 20 0 DFADHM C[C@@H]1CCN(Cc2cnc(-c3ccncc3)s2)C[C@@H]1C(=O)[O-] ZINC000572404342 430686092 /nfs/dbraw/zinc/68/60/92/430686092.db2.gz GMYAJLOVALITNT-RISCZKNCSA-N -1 3 317.414 2.748 20 0 DFADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1 ZINC000376321099 278066692 /nfs/dbraw/zinc/06/66/92/278066692.db2.gz JHKWVXJZXVKMIR-ZUZCIYMTSA-N -1 3 307.346 2.626 20 0 DFADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000377386769 278070431 /nfs/dbraw/zinc/07/04/31/278070431.db2.gz DIXLCAHJDOWQKZ-LKFCYVNXSA-N -1 3 324.789 2.536 20 0 DFADHM CC(C)n1cc([C@H](C)NC(=O)c2c[n-]nc2-c2ccccn2)cn1 ZINC000572567382 430690873 /nfs/dbraw/zinc/69/08/73/430690873.db2.gz AUICMMVKFXBHJY-LBPRGKRZSA-N -1 3 324.388 2.740 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@@H](c3ccncc3)C2)c1[O-] ZINC000556871031 430695223 /nfs/dbraw/zinc/69/52/23/430695223.db2.gz IJNAEGIMUQRFTG-CQSZACIVSA-N -1 3 312.369 2.816 20 0 DFADHM O=C([N-]c1nc2c(s1)CCC2)c1nc2cccnc2s1 ZINC000556942106 430696202 /nfs/dbraw/zinc/69/62/02/430696202.db2.gz LOFKROKJENKMOE-UHFFFAOYSA-N -1 3 302.384 2.889 20 0 DFADHM Cc1cc(C(=O)NC[C@@H](CO)c2ccc(Cl)cc2)ccc1[O-] ZINC000644249740 430712008 /nfs/dbraw/zinc/71/20/08/430712008.db2.gz BMWYEBOXDQJJNW-AWEZNQCLSA-N -1 3 319.788 2.860 20 0 DFADHM Cc1ccc(NC(=O)c2cn(C)nc2C2CCOCC2)c([O-])c1 ZINC000644255452 430713632 /nfs/dbraw/zinc/71/36/32/430713632.db2.gz FQKKXPRTQAOXLU-UHFFFAOYSA-N -1 3 315.373 2.580 20 0 DFADHM Cc1cccc(NC(=O)[C@H](C)N2CCC[C@H](CC(=O)[O-])CC2)c1 ZINC000648421933 430782114 /nfs/dbraw/zinc/78/21/14/430782114.db2.gz CTUACOUJQXTBIN-GJZGRUSLSA-N -1 3 318.417 2.899 20 0 DFADHM CCO[C@]1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCOC1 ZINC000644469999 430735303 /nfs/dbraw/zinc/73/53/03/430735303.db2.gz VNMYESNKAKAWKR-QGZVFWFLSA-N -1 3 307.390 2.824 20 0 DFADHM CC(C)n1cc([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)cn1 ZINC000648316809 430745816 /nfs/dbraw/zinc/74/58/16/430745816.db2.gz DKVFCQKVXVBMPG-NSHDSACASA-N -1 3 305.353 2.729 20 0 DFADHM Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1cc(F)ccc1[O-] ZINC000651586487 430825567 /nfs/dbraw/zinc/82/55/67/430825567.db2.gz BJNOMHDBVSYPMP-UHFFFAOYSA-N -1 3 317.364 2.936 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCCS1)c1ccc(Cl)c(F)c1 ZINC000651598227 430827010 /nfs/dbraw/zinc/82/70/10/430827010.db2.gz CIMGLYVBGHLDKN-QMMMGPOBSA-N -1 3 309.815 2.653 20 0 DFADHM CC1(C)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000654887609 430836044 /nfs/dbraw/zinc/83/60/44/430836044.db2.gz MPYYZJJAUCPLBR-UHFFFAOYSA-N -1 3 309.369 2.998 20 0 DFADHM CC(C)(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C1CC1 ZINC000648431287 430784326 /nfs/dbraw/zinc/78/43/26/430784326.db2.gz PMBNKNTVLRFFJQ-UHFFFAOYSA-N -1 3 309.719 2.895 20 0 DFADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1CC12CCC2 ZINC000648431760 430784646 /nfs/dbraw/zinc/78/46/46/430784646.db2.gz CJAVEAIFZSPLGS-SSDOTTSWSA-N -1 3 307.703 2.649 20 0 DFADHM CC(C)[C@H]1C[C@@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431889 430785340 /nfs/dbraw/zinc/78/53/40/430785340.db2.gz ICZITEWVXWFNPW-SFYZADRCSA-N -1 3 309.719 2.751 20 0 DFADHM CCC[C@@H]1CCC[C@H]1C(=O)N=c1[n-]n(C)cc1Br ZINC000648440044 430787662 /nfs/dbraw/zinc/78/76/62/430787662.db2.gz PLRWMLCWPBRATP-NXEZZACHSA-N -1 3 314.227 2.759 20 0 DFADHM CC1(C)C[C@@H](N=c2ncnc3[nH][n-]cc2-3)c2cc(F)ccc2O1 ZINC000651415585 430791456 /nfs/dbraw/zinc/79/14/56/430791456.db2.gz IODACOBJQIYJHS-GFCCVEGCSA-N -1 3 313.336 2.580 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCc2sccc2C1 ZINC000654757290 430805553 /nfs/dbraw/zinc/80/55/53/430805553.db2.gz BMKAQEBSAQEVRE-UHFFFAOYSA-N -1 3 315.398 2.710 20 0 DFADHM Cc1ccc([O-])c(CNC2(c3noc(C(F)F)n3)CCC2)n1 ZINC000644836780 430845518 /nfs/dbraw/zinc/84/55/18/430845518.db2.gz HLKQWQSQFBTJIU-UHFFFAOYSA-N -1 3 310.304 2.585 20 0 DFADHM COCC1(CC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000651753831 430867109 /nfs/dbraw/zinc/86/71/09/430867109.db2.gz HLHGEJUIZOWSPI-UHFFFAOYSA-N -1 3 321.801 2.574 20 0 DFADHM COc1ccc2c(c1)[C@H](C(=O)NCc1ncccc1[O-])CCC2 ZINC000655041262 430879056 /nfs/dbraw/zinc/87/90/56/430879056.db2.gz AKCIOGGTPRYXEN-CQSZACIVSA-N -1 3 312.369 2.532 20 0 DFADHM Cn1nccc1[C@@H]1C[C@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000648783888 430890686 /nfs/dbraw/zinc/89/06/86/430890686.db2.gz XAVLZVQQIKCEPB-DOMZBBRYSA-N -1 3 321.808 2.789 20 0 DFADHM Cc1ccc2ncc(CN3CCC(CCC(=O)[O-])CC3)n2c1 ZINC000665343584 430903264 /nfs/dbraw/zinc/90/32/64/430903264.db2.gz NWNLGLZNWNRDDN-UHFFFAOYSA-N -1 3 301.390 2.720 20 0 DFADHM CC(C)(C)CN(CC(=O)[O-])Cc1cnn(Cc2ccccc2)c1 ZINC000665349420 430904465 /nfs/dbraw/zinc/90/44/65/430904465.db2.gz JFUUKIQEGBNQFD-UHFFFAOYSA-N -1 3 315.417 2.864 20 0 DFADHM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000651886053 430905403 /nfs/dbraw/zinc/90/54/03/430905403.db2.gz GPRHWOXXKMAASO-VIFPVBQESA-N -1 3 321.801 2.573 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](c3cc(C)ccn3)C2)c1 ZINC000655131433 430906187 /nfs/dbraw/zinc/90/61/87/430906187.db2.gz LNKSCPAIFWWGLO-CYBMUJFWSA-N -1 3 312.369 2.734 20 0 DFADHM O=C([O-])[C@H](CNCc1cc(Cl)cc2c1OCC2)C1CCC1 ZINC000665359660 430907817 /nfs/dbraw/zinc/90/78/17/430907817.db2.gz IDPOLBGPJFYLPN-CQSZACIVSA-N -1 3 309.793 2.865 20 0 DFADHM COc1cc2c(c(CNC[C@@H](C(=O)[O-])C3CCC3)c1)O[C@H](C)C2 ZINC000665361199 430909908 /nfs/dbraw/zinc/90/99/08/430909908.db2.gz LHFZHWWGEVACMF-BDJLRTHQSA-N -1 3 319.401 2.609 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CC[C@@H](c2ccccc2)O1)c1cccs1 ZINC000651902407 430910291 /nfs/dbraw/zinc/91/02/91/430910291.db2.gz KCHNVGYBVBHMRE-KBPBESRZSA-N -1 3 323.439 2.947 20 0 DFADHM Cc1ccc([O-])c(CN[C@H](Cc2ccccc2)c2nccn2C)n1 ZINC000651961389 430926328 /nfs/dbraw/zinc/92/63/28/430926328.db2.gz YSQNEUZCDQIDDJ-MRXNPFEDSA-N -1 3 322.412 2.903 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000655215404 430929896 /nfs/dbraw/zinc/92/98/96/430929896.db2.gz BZTYVBFYKQRTMT-DOTOQJQBSA-N -1 3 307.365 2.538 20 0 DFADHM Cc1ccc(CN(CC2CC2)C(=O)c2csc(=O)[n-]2)cn1 ZINC000649012261 430975767 /nfs/dbraw/zinc/97/57/67/430975767.db2.gz ULZXPJWUAKIHHA-UHFFFAOYSA-N -1 3 303.387 2.605 20 0 DFADHM CO[C@@H](CC(=O)Nc1cccc(C(C)=O)c1[O-])C(F)(F)F ZINC000652167531 430977767 /nfs/dbraw/zinc/97/77/67/430977767.db2.gz WPMFTENKCPJFBY-JTQLQIEISA-N -1 3 305.252 2.501 20 0 DFADHM O=C(Cc1cncc([O-])c1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000655387757 430986695 /nfs/dbraw/zinc/98/66/95/430986695.db2.gz SCCBOAOPHZRDIS-UHFFFAOYSA-N -1 3 318.323 2.799 20 0 DFADHM CCOc1ccc(NC(=O)Cc2cncc([O-])c2)cc1OCC ZINC000655387405 430986778 /nfs/dbraw/zinc/98/67/78/430986778.db2.gz FPYJEYPBQDLIQX-UHFFFAOYSA-N -1 3 316.357 2.766 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCOC[C@@H]1C1CCC1 ZINC000649082936 430994441 /nfs/dbraw/zinc/99/44/41/430994441.db2.gz GRAGSYOLTULLII-MRXNPFEDSA-N -1 3 321.392 2.882 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCOC[C@@H]1C1CCC1 ZINC000649082954 430994757 /nfs/dbraw/zinc/99/47/57/430994757.db2.gz KUAXLXJJCGYORO-QGZVFWFLSA-N -1 3 315.413 2.912 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@@H](C)c3ccncc3)ccc2[n-]1 ZINC000649078006 430995492 /nfs/dbraw/zinc/99/54/92/430995492.db2.gz SXNSJYWIKOENTH-GFCCVEGCSA-N -1 3 324.384 2.890 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@@H](C)c3ccncc3)cc2[n-]1 ZINC000649078006 430995497 /nfs/dbraw/zinc/99/54/97/430995497.db2.gz SXNSJYWIKOENTH-GFCCVEGCSA-N -1 3 324.384 2.890 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)cc1[O-] ZINC000655410203 430996590 /nfs/dbraw/zinc/99/65/90/430996590.db2.gz VGBDPOBTRROQNL-JOCQHMNTSA-N -1 3 305.374 2.671 20 0 DFADHM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000649098468 430998973 /nfs/dbraw/zinc/99/89/73/430998973.db2.gz GZEHTGNZCXLDDF-TXEJJXNPSA-N -1 3 314.385 2.604 20 0 DFADHM CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000662219215 431002441 /nfs/dbraw/zinc/00/24/41/431002441.db2.gz OHBNVVGCFMJCFW-HOCLYGCPSA-N -1 3 324.465 2.743 20 0 DFADHM C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(CCC(=O)[O-])CC1 ZINC000662218056 431003885 /nfs/dbraw/zinc/00/38/85/431003885.db2.gz UQFQAIZSWHGQRY-AWEZNQCLSA-N -1 3 324.465 2.743 20 0 DFADHM c1ccc2c(c1)OCC[C@H]2[N-]c1nc(C2CCOCC2)no1 ZINC000665688931 431004895 /nfs/dbraw/zinc/00/48/95/431004895.db2.gz NKSZAPPUWZDDRU-CYBMUJFWSA-N -1 3 301.346 2.899 20 0 DFADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)C1 ZINC000645465850 431008627 /nfs/dbraw/zinc/00/86/27/431008627.db2.gz ZEPWGWAXIKKGPW-ZYHUDNBSSA-N -1 3 301.383 2.691 20 0 DFADHM O=C(NCC[C@H]1CSc2ccccc2O1)c1csc(=O)[n-]1 ZINC000648965124 430951389 /nfs/dbraw/zinc/95/13/89/430951389.db2.gz VSCWICKHDSXFAC-VIFPVBQESA-N -1 3 322.411 2.522 20 0 DFADHM Cc1ccc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)c(Cl)c1C ZINC000648966850 430953226 /nfs/dbraw/zinc/95/32/26/430953226.db2.gz DJAAEDLZODQWRC-UHFFFAOYSA-N -1 3 320.780 2.771 20 0 DFADHM 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ZINC000647835523 431704793 /nfs/dbraw/zinc/70/47/93/431704793.db2.gz RKEITZJFTXWLLN-UHFFFAOYSA-N -1 3 307.762 2.936 20 0 DFADHM CCC(C)(C)c1n[n-]c(=NC[C@@H](c2ccccc2)N(C)C)o1 ZINC000647846026 431706814 /nfs/dbraw/zinc/70/68/14/431706814.db2.gz LDROOODVQDAIFK-AWEZNQCLSA-N -1 3 302.422 2.894 20 0 DFADHM COc1ccc(F)cc1CNC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000650805002 431707243 /nfs/dbraw/zinc/70/72/43/431707243.db2.gz PDFHZQNKNZMUPG-SFHVURJKSA-N -1 3 317.360 2.966 20 0 DFADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000647920314 431729268 /nfs/dbraw/zinc/72/92/68/431729268.db2.gz MQPJVGKTTNWEKB-LSDHHAIUSA-N -1 3 311.403 2.589 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(c3ccco3)CC2)on1 ZINC000661162364 431756385 /nfs/dbraw/zinc/75/63/85/431756385.db2.gz AANYQXRBEQPPFG-GFCCVEGCSA-N -1 3 303.362 2.783 20 0 DFADHM COc1ccc(C(=O)NC2CCC(OC(F)F)CC2)c([O-])c1 ZINC000654273558 431718630 /nfs/dbraw/zinc/71/86/30/431718630.db2.gz VNPXUKIWOKWMDT-UHFFFAOYSA-N -1 3 315.316 2.681 20 0 DFADHM CCCC(C)(C)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000651053206 431794252 /nfs/dbraw/zinc/79/42/52/431794252.db2.gz HLDPALPZYWSHJY-UHFFFAOYSA-N -1 3 316.398 2.962 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000654453525 431798267 /nfs/dbraw/zinc/79/82/67/431798267.db2.gz BUWZINDBNYMQRY-HZPDHXFCSA-N -1 3 322.380 2.678 20 0 DFADHM COC[C@@H](NCc1nc(C)ccc1[O-])c1cccc(OC)c1 ZINC000657611472 431825117 /nfs/dbraw/zinc/82/51/17/431825117.db2.gz NNGBSTHEIRTWBM-MRXNPFEDSA-N -1 3 302.374 2.582 20 0 DFADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1n[n-]c(=O)s1)CC3 ZINC000375326222 281029253 /nfs/dbraw/zinc/02/92/53/281029253.db2.gz JHXFGPVNFRZPLN-UHFFFAOYSA-N -1 3 300.387 2.592 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000183065819 281249059 /nfs/dbraw/zinc/24/90/59/281249059.db2.gz ZBVVXISIVQIWMW-GFCCVEGCSA-N -1 3 313.357 2.849 20 0 DFADHM CCc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)c([O-])c1 ZINC000331944441 281399286 /nfs/dbraw/zinc/39/92/86/281399286.db2.gz 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/nfs/dbraw/zinc/88/70/88/289887088.db2.gz MSQDPFGMYQWAFP-UHFFFAOYSA-N -1 3 303.189 2.523 20 0 DFADHM CN1CC[C@H]([N-]C(=O)C(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377406237 290200345 /nfs/dbraw/zinc/20/03/45/290200345.db2.gz XMBFVIVXVZDBGN-RYUDHWBXSA-N -1 3 320.742 2.996 20 0 DFADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1nc[n-]n1 ZINC000435939224 296980581 /nfs/dbraw/zinc/98/05/81/296980581.db2.gz WVQLVZBGQXWWSP-UHFFFAOYSA-N -1 3 307.357 2.712 20 0 DFADHM CCc1cncc(C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)c1 ZINC000436430864 297002619 /nfs/dbraw/zinc/00/26/19/297002619.db2.gz KKCFYJLECHJXNW-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCC3(O)CCCCC3)c([O-])c2O1 ZINC000436531536 297009861 /nfs/dbraw/zinc/00/98/61/297009861.db2.gz SZTORPBZGHTRLW-UHFFFAOYSA-N -1 3 319.401 2.531 20 0 DFADHM O=C(N[C@H](CO)c1cccc(Cl)c1F)c1ccccc1[O-] ZINC000436483223 297005748 /nfs/dbraw/zinc/00/57/48/297005748.db2.gz BTOVYFJEGKFKCT-GFCCVEGCSA-N -1 3 309.724 2.648 20 0 DFADHM CC(C)c1ccc(C(=O)NCC[C@H](O)C(F)(F)F)c([O-])c1 ZINC000436483317 297005793 /nfs/dbraw/zinc/00/57/93/297005793.db2.gz CAYISDPPFWXXTA-LBPRGKRZSA-N -1 3 305.296 2.559 20 0 DFADHM O=C(NCCN1CCC1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436490304 297006263 /nfs/dbraw/zinc/00/62/63/297006263.db2.gz SRMRNQHOKROEED-UHFFFAOYSA-N -1 3 304.777 2.634 20 0 DFADHM Cc1cccc(C(=O)N[C@H](CO)c2cccc(Cl)c2F)c1[O-] ZINC000436494329 297006842 /nfs/dbraw/zinc/00/68/42/297006842.db2.gz LFWMTMMPRRQXKI-CYBMUJFWSA-N -1 3 323.751 2.957 20 0 DFADHM CCSCCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436500879 297007021 /nfs/dbraw/zinc/00/70/21/297007021.db2.gz AYQKZTPAUWTXFW-UHFFFAOYSA-N -1 3 309.431 2.979 20 0 DFADHM COc1ccc(NC(=O)c2ccc(C)cc2[O-])c(OC)c1OC ZINC000436508331 297007644 /nfs/dbraw/zinc/00/76/44/297007644.db2.gz AKMTVWOZXOJRRX-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2nc(C(F)(F)F)c[nH]2)c1[O-] ZINC000436519553 297008266 /nfs/dbraw/zinc/00/82/66/297008266.db2.gz XUOCGULKRHKUDG-UHFFFAOYSA-N -1 3 315.251 2.703 20 0 DFADHM C[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCCC[C@@H]1C ZINC000436529241 297009278 /nfs/dbraw/zinc/00/92/78/297009278.db2.gz KJWKQTZGTUSTKF-WDEREUQCSA-N -1 3 312.360 2.663 20 0 DFADHM O=C(c1ccccc1[O-])N1CCc2c(cnn2-c2ccccc2)C1 ZINC000436528411 297009456 /nfs/dbraw/zinc/00/94/56/297009456.db2.gz LKMVEKSJQOKCFG-UHFFFAOYSA-N -1 3 319.364 2.776 20 0 DFADHM C[C@@H]1CCN(C)CCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000436545194 297011097 /nfs/dbraw/zinc/01/10/97/297011097.db2.gz LMNZYYIMCGWETG-SECBINFHSA-N -1 3 317.216 2.865 20 0 DFADHM O=C(NCc1ncc[nH]1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436552068 297011453 /nfs/dbraw/zinc/01/14/53/297011453.db2.gz UGEUBHVICJQEKG-UHFFFAOYSA-N -1 3 323.352 2.624 20 0 DFADHM O=C(NCCC1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436549885 297011605 /nfs/dbraw/zinc/01/16/05/297011605.db2.gz XYYZZXUVNFLGAM-UHFFFAOYSA-N -1 3 303.402 2.818 20 0 DFADHM CC(=O)NCc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436549013 297011653 /nfs/dbraw/zinc/01/16/53/297011653.db2.gz 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CC(C)C[C@@H](NC(=O)c1ccccc1[O-])C(=O)OC(C)(C)C ZINC000436585466 297015152 /nfs/dbraw/zinc/01/51/52/297015152.db2.gz QGGXQKIRFFYCBO-CYBMUJFWSA-N -1 3 307.390 2.878 20 0 DFADHM Cn1nccc1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436587613 297015217 /nfs/dbraw/zinc/01/52/17/297015217.db2.gz YSFAVJOOMHDQFZ-UHFFFAOYSA-N -1 3 321.380 2.647 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c([O-])c1C ZINC000436586217 297015285 /nfs/dbraw/zinc/01/52/85/297015285.db2.gz AVKZJAIOCYHUKG-BMFZPTHFSA-N -1 3 303.402 2.942 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@]2(CCOC2)C1 ZINC000436584926 297015428 /nfs/dbraw/zinc/01/54/28/297015428.db2.gz KJKVKYVYRFWJLA-SFHVURJKSA-N -1 3 301.386 2.524 20 0 DFADHM COC(=O)[C@@H](C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436587122 297015504 /nfs/dbraw/zinc/01/55/04/297015504.db2.gz VLWYNHHETVRCCN-LLVKDONJSA-N -1 3 307.390 2.930 20 0 DFADHM Cc1cccc(C(=O)NC[C@@]2(C)OCCc3sccc32)c1[O-] ZINC000436593798 297016347 /nfs/dbraw/zinc/01/63/47/297016347.db2.gz CKLIHTTULUMAET-QGZVFWFLSA-N -1 3 317.410 2.980 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2)cc1[O-] ZINC000436622899 297018571 /nfs/dbraw/zinc/01/85/71/297018571.db2.gz CXODZMMIZZAORF-HNNXBMFYSA-N -1 3 324.380 2.604 20 0 DFADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000436622481 297018578 /nfs/dbraw/zinc/01/85/78/297018578.db2.gz DFOZFNSLFZJASZ-RLFDGXBXSA-N -1 3 313.353 2.781 20 0 DFADHM COc1ncccc1CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436620821 297018715 /nfs/dbraw/zinc/01/87/15/297018715.db2.gz WUBBZYBPMKQIGB-UHFFFAOYSA-N -1 3 314.385 2.892 20 0 DFADHM O=C(NCC1(c2ccncc2)CCCC1)c1ccc(O)cc1[O-] ZINC000436627394 297019128 /nfs/dbraw/zinc/01/91/28/297019128.db2.gz VWUPDBUHYYHCQP-UHFFFAOYSA-N -1 3 312.369 2.735 20 0 DFADHM Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)c([O-])c1C ZINC000436624993 297019145 /nfs/dbraw/zinc/01/91/45/297019145.db2.gz LEUBNTUARBCLFZ-CYBMUJFWSA-N -1 3 313.353 2.579 20 0 DFADHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(O)cc1[O-] ZINC000436630104 297019231 /nfs/dbraw/zinc/01/92/31/297019231.db2.gz LWBGIIGQUKVOKO-HNNXBMFYSA-N -1 3 313.353 2.914 20 0 DFADHM CO[C@](C)(CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CC1 ZINC000436639782 297020176 /nfs/dbraw/zinc/02/01/76/297020176.db2.gz MOYQDBNTBHUGGQ-GOSISDBHSA-N -1 3 319.401 2.651 20 0 DFADHM CC(=O)c1cnc(NC(=O)c2ccc(C(C)=O)c([O-])c2)s1 ZINC000436645772 297020397 /nfs/dbraw/zinc/02/03/97/297020397.db2.gz FAJWNJASPGEPMX-UHFFFAOYSA-N -1 3 304.327 2.506 20 0 DFADHM O=C(NCc1ncoc1-c1ccccc1)c1c([O-])cccc1O ZINC000436647644 297020855 /nfs/dbraw/zinc/02/08/55/297020855.db2.gz MQCIWFQENGRCDD-UHFFFAOYSA-N -1 3 310.309 2.683 20 0 DFADHM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1c([O-])cccc1O ZINC000436646028 297021167 /nfs/dbraw/zinc/02/11/67/297021167.db2.gz DTCHIOVUXWDDBZ-CYBMUJFWSA-N -1 3 315.325 2.518 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000436650424 297021421 /nfs/dbraw/zinc/02/14/21/297021421.db2.gz ZXHVPPYOLTUULD-UHFFFAOYSA-N -1 3 319.307 2.691 20 0 DFADHM C[C@H]1COCC[C@@H]1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436656747 297021919 /nfs/dbraw/zinc/02/19/19/297021919.db2.gz GYPNBZFFXVCPKX-WCQYABFASA-N -1 3 319.401 2.508 20 0 DFADHM CCN(CC(C)(C)C)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436658634 297022724 /nfs/dbraw/zinc/02/27/24/297022724.db2.gz VHUKPXVYUMYZNU-UHFFFAOYSA-N -1 3 320.433 2.715 20 0 DFADHM Cc1ccc(C(=O)NCCc2cnc(C3CC3)nc2)c([O-])c1C ZINC000436662048 297022754 /nfs/dbraw/zinc/02/27/54/297022754.db2.gz BCTZQJQRIADYOI-UHFFFAOYSA-N -1 3 311.385 2.649 20 0 DFADHM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1c([O-])cccc1O ZINC000436667283 297022872 /nfs/dbraw/zinc/02/28/72/297022872.db2.gz XBLIBPNMDKCDIO-CZUORRHYSA-N -1 3 313.353 2.748 20 0 DFADHM CCOCCC1(CNC(=O)c2ccc(C(C)=O)c([O-])c2)CCC1 ZINC000436664144 297022898 /nfs/dbraw/zinc/02/28/98/297022898.db2.gz HQYPVCFAADICPT-UHFFFAOYSA-N -1 3 319.401 2.922 20 0 DFADHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436708370 297026955 /nfs/dbraw/zinc/02/69/55/297026955.db2.gz JNOZWRVLLGAJRY-ZDUSSCGKSA-N -1 3 315.369 2.912 20 0 DFADHM CC[C@H](CNC(=O)c1ccc(O)cc1[O-])Oc1cccc(F)c1 ZINC000436681493 297024472 /nfs/dbraw/zinc/02/44/72/297024472.db2.gz RUHUATSZHNUIPB-CYBMUJFWSA-N -1 3 319.332 2.824 20 0 DFADHM COc1ccc(F)cc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436690976 297025098 /nfs/dbraw/zinc/02/50/98/297025098.db2.gz SLOHDBIWVJFPOW-UHFFFAOYSA-N -1 3 321.304 2.809 20 0 DFADHM Cc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)ccc1C(N)=O ZINC000436692151 297025705 /nfs/dbraw/zinc/02/57/05/297025705.db2.gz WPRJVTVQPZCLDS-UHFFFAOYSA-N -1 3 324.380 2.931 20 0 DFADHM COc1cccc(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)c1[O-] ZINC000436696551 297025876 /nfs/dbraw/zinc/02/58/76/297025876.db2.gz HUCMBIHNZOKCBX-JTQLQIEISA-N -1 3 311.341 2.768 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(Cn3ccnc3)cn2)c1[O-] ZINC000436695019 297025879 /nfs/dbraw/zinc/02/58/79/297025879.db2.gz CSMRFAHFPBFEAV-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM COc1cccc(C(=O)Nc2ccc(OC(F)F)nc2)c1[O-] ZINC000436701129 297026304 /nfs/dbraw/zinc/02/63/04/297026304.db2.gz ZBVXRUZSNAWKOB-UHFFFAOYSA-N -1 3 310.256 2.650 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(Cn3ccnc3)cn2)c([O-])c1C ZINC000436698242 297026316 /nfs/dbraw/zinc/02/63/16/297026316.db2.gz POZYUHUWOOUVGS-UHFFFAOYSA-N -1 3 322.368 2.901 20 0 DFADHM CCc1nc(CCNC(=O)c2ccc([O-])c(OC)c2)sc1C ZINC000436704862 297026552 /nfs/dbraw/zinc/02/65/52/297026552.db2.gz NQTKLJJWMXYYJM-UHFFFAOYSA-N -1 3 320.414 2.701 20 0 DFADHM Cc1ccc(C(=O)N[C@H](CO)c2cccc(F)c2)c([O-])c1C ZINC000436707571 297026721 /nfs/dbraw/zinc/02/67/21/297026721.db2.gz XTADIYBIBDNKHQ-OAHLLOKOSA-N -1 3 303.333 2.612 20 0 DFADHM CCOc1ncccc1CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436749145 297031293 /nfs/dbraw/zinc/03/12/93/297031293.db2.gz IMDPGBVSBHXRHH-UHFFFAOYSA-N -1 3 300.358 2.733 20 0 DFADHM CC[C@@]1(C)COCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436710026 297027457 /nfs/dbraw/zinc/02/74/57/297027457.db2.gz QMHKJXFNBDPSKU-SFHVURJKSA-N -1 3 303.402 2.912 20 0 DFADHM CC[C@H](C)N[C@@H](CNC(=O)c1ccc(F)cc1[O-])c1ccco1 ZINC000436715948 297027945 /nfs/dbraw/zinc/02/79/45/297027945.db2.gz QXUMGTGGUPYGFF-FZMZJTMJSA-N -1 3 320.364 2.984 20 0 DFADHM Cc1ccc(C(=O)NCc2ccc(C[S@@](C)=O)cc2)c([O-])c1 ZINC000436714770 297027971 /nfs/dbraw/zinc/02/79/71/297027971.db2.gz VBGIPXYWNJGRQP-JOCHJYFZSA-N -1 3 317.410 2.509 20 0 DFADHM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1[O-] ZINC000436716464 297027987 /nfs/dbraw/zinc/02/79/87/297027987.db2.gz BGCRFSAVTMHAFO-AWEZNQCLSA-N -1 3 314.360 2.930 20 0 DFADHM CC[C@H](C)N[C@H](CNC(=O)c1ccc(F)cc1[O-])c1ccco1 ZINC000436715951 297027994 /nfs/dbraw/zinc/02/79/94/297027994.db2.gz QXUMGTGGUPYGFF-SMDDNHRTSA-N -1 3 320.364 2.984 20 0 DFADHM COc1cccc(C(=O)Nc2nc3cc(F)ccc3[nH]2)c1[O-] ZINC000436728631 297028812 /nfs/dbraw/zinc/02/88/12/297028812.db2.gz MTKXSLYMWVLMOE-UHFFFAOYSA-N -1 3 301.277 2.669 20 0 DFADHM CCC1(CC)[C@H](NC(=O)c2cccc(OC)c2[O-])C[C@@H]1OC ZINC000436726864 297028838 /nfs/dbraw/zinc/02/88/38/297028838.db2.gz WKYNZZGMVXKJOP-KGLIPLIRSA-N -1 3 307.390 2.724 20 0 DFADHM CCc1ccc(C(=O)N2CC(OC)(c3ccccc3)C2)c([O-])c1 ZINC000436728037 297028884 /nfs/dbraw/zinc/02/88/84/297028884.db2.gz GXTNRZNSKGAKRY-UHFFFAOYSA-N -1 3 311.381 2.952 20 0 DFADHM CCC1(CC)[C@H](NC(=O)c2cccc(OC)c2[O-])C[C@H]1OC ZINC000436726867 297028929 /nfs/dbraw/zinc/02/89/29/297028929.db2.gz WKYNZZGMVXKJOP-ZIAGYGMSSA-N -1 3 307.390 2.724 20 0 DFADHM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2ccc(C)cc2[O-])[nH]1 ZINC000436734290 297029894 /nfs/dbraw/zinc/02/98/94/297029894.db2.gz CMQNHGWRCSQMDB-QWRGUYRKSA-N -1 3 302.378 2.823 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@]12CCOC2 ZINC000436738646 297030132 /nfs/dbraw/zinc/03/01/32/297030132.db2.gz UBWLPZNWUBEDIE-GOSISDBHSA-N -1 3 301.386 2.666 20 0 DFADHM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436741557 297030375 /nfs/dbraw/zinc/03/03/75/297030375.db2.gz CLGUGIHGOACYPV-QLJPJBMISA-N -1 3 319.332 2.743 20 0 DFADHM COc1cc(CNC(=O)c2cc3c(cc2[O-])CCCC3)ccn1 ZINC000436759548 297032435 /nfs/dbraw/zinc/03/24/35/297032435.db2.gz ZXJLSTBDAGBXJJ-UHFFFAOYSA-N -1 3 312.369 2.605 20 0 DFADHM CCc1nn(C)cc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436766793 297032864 /nfs/dbraw/zinc/03/28/64/297032864.db2.gz TVTHPEXJIRDVMP-UHFFFAOYSA-N -1 3 301.390 2.742 20 0 DFADHM Cc1ccc(-n2cc(-c3nc(-c4ccc([O-])cc4)no3)nn2)cc1 ZINC000436770836 297033332 /nfs/dbraw/zinc/03/33/32/297033332.db2.gz VCHHZVQHODQLGQ-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM COc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)c(C)c1 ZINC000436777816 297034059 /nfs/dbraw/zinc/03/40/59/297034059.db2.gz ZWYIOPGKZQJRAX-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H](C)C1 ZINC000436793659 297034743 /nfs/dbraw/zinc/03/47/43/297034743.db2.gz RWTODICIWIDIIQ-SLEUVZQESA-N -1 3 322.836 2.848 20 0 DFADHM COc1nc(C)cc(C)c1CNC(=O)c1cc(C)ccc1[O-] ZINC000436797120 297034850 /nfs/dbraw/zinc/03/48/50/297034850.db2.gz MHNBUDPAYKNRSC-UHFFFAOYSA-N -1 3 300.358 2.651 20 0 DFADHM COC(=O)c1ccc(C)c(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436793683 297034853 /nfs/dbraw/zinc/03/48/53/297034853.db2.gz SCTHUFZGEUHSLZ-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM CCOC(=O)C(C)(C)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436792639 297035017 /nfs/dbraw/zinc/03/50/17/297035017.db2.gz OPKFFFTYMVBCPL-UHFFFAOYSA-N -1 3 319.401 2.685 20 0 DFADHM CCN(CCNC(=O)c1ccc(C)cc1[O-])CCC(F)(F)F ZINC000436797886 297035482 /nfs/dbraw/zinc/03/54/82/297035482.db2.gz PWUDILHWFSEYGR-UHFFFAOYSA-N -1 3 318.339 2.705 20 0 DFADHM Cc1ccc(CN(CCO)C(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436807174 297035694 /nfs/dbraw/zinc/03/56/94/297035694.db2.gz HZVLYKYVUQXRFY-UHFFFAOYSA-N -1 3 313.397 2.952 20 0 DFADHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@@H]1CCCCO1 ZINC000436813877 297036497 /nfs/dbraw/zinc/03/64/97/297036497.db2.gz GKQUCVHKBVLEEX-FZMZJTMJSA-N -1 3 319.401 2.793 20 0 DFADHM CC(C)C(=O)Nc1cc(C(=O)Nc2cc(F)ccc2[O-])ccn1 ZINC000436821466 297037039 /nfs/dbraw/zinc/03/70/39/297037039.db2.gz WYSKVYKIUVDYLE-UHFFFAOYSA-N -1 3 317.320 2.773 20 0 DFADHM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(C)c1 ZINC000436823263 297037119 /nfs/dbraw/zinc/03/71/19/297037119.db2.gz TZYXIXDINABXFY-HNNXBMFYSA-N -1 3 319.401 2.942 20 0 DFADHM COc1cc(OC)cc(N(C)C(=O)c2ccc([O-])c(C)c2)c1 ZINC000436821293 297037138 /nfs/dbraw/zinc/03/71/38/297037138.db2.gz OPAQTQWWXIWLID-UHFFFAOYSA-N -1 3 301.342 2.994 20 0 DFADHM COc1ccc(C(=O)N2CCOc3ccc(F)cc3C2)c([O-])c1 ZINC000436830293 297037899 /nfs/dbraw/zinc/03/78/99/297037899.db2.gz NVFXVXZXMNCSRD-UHFFFAOYSA-N -1 3 317.316 2.575 20 0 DFADHM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1c([O-])cccc1O ZINC000436828679 297037963 /nfs/dbraw/zinc/03/79/63/297037963.db2.gz ZLGVKENZXATPKP-LBPRGKRZSA-N -1 3 317.316 2.881 20 0 DFADHM CCN1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C(C)(C)C1=O ZINC000436831507 297038023 /nfs/dbraw/zinc/03/80/23/297038023.db2.gz GRBMISVKYGEGHM-UHFFFAOYSA-N -1 3 318.417 2.599 20 0 DFADHM CCc1ccc(C(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)c([O-])c1 ZINC000436828653 297038217 /nfs/dbraw/zinc/03/82/17/297038217.db2.gz JBEDJBMXLXSMCL-DYVFJYSZSA-N -1 3 313.397 2.677 20 0 DFADHM CCc1ccc(C(=O)NC[C@@H](CO)Cc2ccccc2)c([O-])c1 ZINC000436835151 297038332 /nfs/dbraw/zinc/03/83/32/297038332.db2.gz UIPHFKLEKWXPCR-INIZCTEOSA-N -1 3 313.397 2.536 20 0 DFADHM COc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436831709 297038430 /nfs/dbraw/zinc/03/84/30/297038430.db2.gz YLQXSYLYCCSCAQ-LDYMZIIASA-N -1 3 303.280 2.814 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N(C)C2(C)CCCC2)c([O-])c1 ZINC000436834517 297038460 /nfs/dbraw/zinc/03/84/60/297038460.db2.gz PQPVYELOSWYTKZ-UHFFFAOYSA-N -1 3 318.417 2.612 20 0 DFADHM COc1ccc(C(=O)NCCCNc2cccc(F)c2)c([O-])c1 ZINC000436835731 297038850 /nfs/dbraw/zinc/03/88/50/297038850.db2.gz WUBLTJFVJNRMDO-UHFFFAOYSA-N -1 3 318.348 2.772 20 0 DFADHM CN(CC[C@H]1CCCO1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436843393 297039143 /nfs/dbraw/zinc/03/91/43/297039143.db2.gz ZFCZXPPPRMHTAW-CQSZACIVSA-N -1 3 303.402 2.912 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](CO)c2cccc(F)c2)c([O-])c1 ZINC000436841909 297039225 /nfs/dbraw/zinc/03/92/25/297039225.db2.gz BQZJXYXFDSFZPO-HNNXBMFYSA-N -1 3 303.333 2.557 20 0 DFADHM COC(=O)[C@@H](NC(=O)c1ccccc1[O-])c1cc(C)cc(C)c1 ZINC000436858344 297040550 /nfs/dbraw/zinc/04/05/50/297040550.db2.gz DSUIUFYYSNPXKY-INIZCTEOSA-N -1 3 313.353 2.653 20 0 DFADHM Cc1nnc([N-]C(=O)c2nc(Br)sc2C)s1 ZINC000278546425 293858193 /nfs/dbraw/zinc/85/81/93/293858193.db2.gz KSZKUWBKELVJQA-UHFFFAOYSA-N -1 3 319.209 2.626 20 0 DFADHM CCCCCNC(=O)Cc1noc(-c2ccc(CC)cc2[O-])n1 ZINC000436873461 297041419 /nfs/dbraw/zinc/04/14/19/297041419.db2.gz ZTIVDIMASRSDPD-UHFFFAOYSA-N -1 3 317.389 2.854 20 0 DFADHM CC[C@H](C[C@@H](C)CO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436903597 297043610 /nfs/dbraw/zinc/04/36/10/297043610.db2.gz NIXCWKXDHITYCJ-DGCLKSJQSA-N -1 3 321.417 2.633 20 0 DFADHM C[C@@H](NC(=O)c1c([O-])cccc1F)[C@H](c1ccccc1)N(C)C ZINC000436904609 297043634 /nfs/dbraw/zinc/04/36/34/297043634.db2.gz MAKZGYCGWBKZMY-SJKOYZFVSA-N -1 3 316.376 2.953 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCC(CC(F)(F)F)CC1 ZINC000436889659 297042367 /nfs/dbraw/zinc/04/23/67/297042367.db2.gz YSSRXCIHDALILY-UHFFFAOYSA-N -1 3 303.280 2.902 20 0 DFADHM Cc1nc(Cc2noc(-c3cc4c(cc3[O-])CCCC4)n2)no1 ZINC000436893623 297042675 /nfs/dbraw/zinc/04/26/75/297042675.db2.gz QIGXVCWYEXKUHT-UHFFFAOYSA-N -1 3 312.329 2.603 20 0 DFADHM COc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1[O-] ZINC000436906036 297043932 /nfs/dbraw/zinc/04/39/32/297043932.db2.gz AHOKJDVDUHTEJT-JTQLQIEISA-N -1 3 315.325 2.621 20 0 DFADHM CCc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)c([O-])c1 ZINC000436908578 297043972 /nfs/dbraw/zinc/04/39/72/297043972.db2.gz JOTZEENGIVVWGH-HNNXBMFYSA-N -1 3 302.418 2.701 20 0 DFADHM C[C@@H](NC(=O)c1ccc(F)cc1[O-])[C@H](c1ccccc1)N(C)C ZINC000436909089 297044011 /nfs/dbraw/zinc/04/40/11/297044011.db2.gz XROMNBSNZALDOB-SJKOYZFVSA-N -1 3 316.376 2.953 20 0 DFADHM CCc1nc([C@H](C)NC(=O)c2ccc3ccccc3c2[O-])n[nH]1 ZINC000436914023 297044312 /nfs/dbraw/zinc/04/43/12/297044312.db2.gz KDHCELQQTARJHL-JTQLQIEISA-N -1 3 310.357 2.717 20 0 DFADHM O=C(NCC1(CO)CCCC1)c1ccc2c(c1[O-])CCCC2 ZINC000436915624 297044450 /nfs/dbraw/zinc/04/44/50/297044450.db2.gz PMIKQWRNNCTFQA-UHFFFAOYSA-N -1 3 303.402 2.554 20 0 DFADHM C[C@@H](CN1CCCCC1)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436917611 297044589 /nfs/dbraw/zinc/04/45/89/297044589.db2.gz BZGYVHZNSDWGBW-JTQLQIEISA-N -1 3 314.788 2.789 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)ccc1[O-] ZINC000436928324 297045283 /nfs/dbraw/zinc/04/52/83/297045283.db2.gz VXVSYEXWNVRBCB-CZUORRHYSA-N -1 3 324.380 2.624 20 0 DFADHM CC[C@@H]1CN(C(=O)c2ccc([O-])c(C)c2)[C@@H](CC)CN1C(C)=O ZINC000436935522 297045844 /nfs/dbraw/zinc/04/58/44/297045844.db2.gz CSCLRYSHDIPQHS-CVEARBPZSA-N -1 3 318.417 2.562 20 0 DFADHM COc1cc(NC(C)=O)ccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436938093 297046251 /nfs/dbraw/zinc/04/62/51/297046251.db2.gz JXSOFUIIWWSYSB-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM Cc1ccc(C(=O)NC[C@]2(CO)C[C@H]2c2ccccc2)c([O-])c1 ZINC000436937786 297046302 /nfs/dbraw/zinc/04/63/02/297046302.db2.gz IXMNNUXGYVSBOF-LPHOPBHVSA-N -1 3 311.381 2.597 20 0 DFADHM CO[C@H](CNC(=O)c1ccc([O-])c(C)c1)c1ccc(F)cc1 ZINC000436935919 297046485 /nfs/dbraw/zinc/04/64/85/297046485.db2.gz DYBOZLCWGGWWCY-MRXNPFEDSA-N -1 3 303.333 2.957 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1[O-] ZINC000436939798 297046517 /nfs/dbraw/zinc/04/65/17/297046517.db2.gz RBRMGEAZMHEPAH-VERVWZFWSA-N -1 3 317.410 2.929 20 0 DFADHM O=C(NCc1cc(Cl)cc2c1OCC2)c1ccccc1[O-] ZINC000436936265 297046525 /nfs/dbraw/zinc/04/65/25/297046525.db2.gz NDEWNIZIMBHBGF-UHFFFAOYSA-N -1 3 303.745 2.911 20 0 DFADHM O=C(NCCc1cccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000436943697 297046640 /nfs/dbraw/zinc/04/66/40/297046640.db2.gz NHVAMKIQKVCDLW-UHFFFAOYSA-N -1 3 310.275 2.779 20 0 DFADHM COC(=O)CCCCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436946535 297046736 /nfs/dbraw/zinc/04/67/36/297046736.db2.gz JMADUXCEQFCRAK-UHFFFAOYSA-N -1 3 319.401 2.734 20 0 DFADHM Cc1cc(NC(=O)c2ccc([O-])c(C)c2)n(Cc2ccccn2)n1 ZINC000436941063 297046874 /nfs/dbraw/zinc/04/68/74/297046874.db2.gz ZVNAYMYLDNLBRZ-UHFFFAOYSA-N -1 3 322.368 2.901 20 0 DFADHM COC1(CCNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCC1 ZINC000436955504 297047634 /nfs/dbraw/zinc/04/76/34/297047634.db2.gz KUCRRCXZRBKGOQ-UHFFFAOYSA-N -1 3 319.401 2.795 20 0 DFADHM COc1cccc(C(=O)NCc2nc3c(s2)CCCC3)c1[O-] ZINC000436962443 297048191 /nfs/dbraw/zinc/04/81/91/297048191.db2.gz LTZOLPBHGLRXOT-UHFFFAOYSA-N -1 3 318.398 2.666 20 0 DFADHM O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc2c(c1[O-])CCCC2 ZINC000436970741 297048492 /nfs/dbraw/zinc/04/84/92/297048492.db2.gz MJWLIFQRBYGAEU-BBRMVZONSA-N -1 3 303.402 2.552 20 0 DFADHM O=C(NCc1nc2ccccc2n1C1CC1)c1c([O-])cccc1O ZINC000436972019 297048811 /nfs/dbraw/zinc/04/88/11/297048811.db2.gz QYGCSUUYTWCBEF-UHFFFAOYSA-N -1 3 323.352 2.712 20 0 DFADHM CCCCOc1ccc(C(=O)N2CC[C@@H](O)C(C)(C)C2)c([O-])c1 ZINC000436978195 297049272 /nfs/dbraw/zinc/04/92/72/297049272.db2.gz GJXZCAKDXMDVOU-MRXNPFEDSA-N -1 3 321.417 2.804 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc2c(c1[O-])CCCC2 ZINC000436974933 297049418 /nfs/dbraw/zinc/04/94/18/297049418.db2.gz DLBCZVOJCLJXBR-UAGQMJEPSA-N -1 3 315.413 2.958 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000436982278 297049819 /nfs/dbraw/zinc/04/98/19/297049819.db2.gz SUVQLMULNLKMKD-HUUCEWRRSA-N -1 3 307.390 2.604 20 0 DFADHM Cn1cnc2c1nccc2C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436984671 297050083 /nfs/dbraw/zinc/05/00/83/297050083.db2.gz ZHPWOKCLVCCUKA-UHFFFAOYSA-N -1 3 302.721 2.580 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@]2(C)CCOC2)c([O-])c1 ZINC000436992536 297051412 /nfs/dbraw/zinc/05/14/12/297051412.db2.gz WYIJOSIJAPZYFP-KRWDZBQOSA-N -1 3 307.390 2.728 20 0 DFADHM CC(C)[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)C(C)(C)O ZINC000437000582 297052401 /nfs/dbraw/zinc/05/24/01/297052401.db2.gz IQEDHHQKOLKGIA-INIZCTEOSA-N -1 3 305.418 2.796 20 0 DFADHM COc1cccc(C(=O)N2CCc3c(F)ccc(F)c3C2)c1[O-] ZINC000438139176 297082553 /nfs/dbraw/zinc/08/25/53/297082553.db2.gz XOXAAESJUOXMNO-UHFFFAOYSA-N -1 3 319.307 2.878 20 0 DFADHM COc1ccc2nc(CN3C[C@@H](C(=O)[O-])CC[C@@H]3C)sc2c1 ZINC000263383662 295279991 /nfs/dbraw/zinc/27/99/91/295279991.db2.gz XSQAMNKDOMTQPD-QWRGUYRKSA-N -1 3 320.414 2.990 20 0 DFADHM COc1cccc(C(=O)N2CC(C)(C)O[C@@H]3CCC[C@H]32)c1[O-] ZINC000374241869 295283359 /nfs/dbraw/zinc/28/33/59/295283359.db2.gz QLXWZSZSJLSXEW-CHWSQXEVSA-N -1 3 305.374 2.573 20 0 DFADHM O=C(Nc1ccccc1OCCn1ccnc1)c1ccccc1[O-] ZINC000154846517 295307827 /nfs/dbraw/zinc/30/78/27/295307827.db2.gz TYDJCBHPZBXPDP-UHFFFAOYSA-N -1 3 323.352 2.920 20 0 DFADHM COc1cc(C(=O)[N-]c2ccc(OC(F)F)c(F)c2)on1 ZINC000155076061 295312203 /nfs/dbraw/zinc/31/22/03/295312203.db2.gz QHXINCXBJBFZIG-UHFFFAOYSA-N -1 3 302.208 2.676 20 0 DFADHM COc1ccc([O-])c(C(=O)N(CCN(C)C)c2ccccc2)c1 ZINC000155094060 295312743 /nfs/dbraw/zinc/31/27/43/295312743.db2.gz BSWYVBRCHOSNTD-UHFFFAOYSA-N -1 3 314.385 2.609 20 0 DFADHM CN(C)C[C@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000155309603 295317015 /nfs/dbraw/zinc/31/70/15/295317015.db2.gz PHDNODBZOSXWIM-LLVKDONJSA-N -1 3 314.788 2.741 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000155481923 295319589 /nfs/dbraw/zinc/31/95/89/295319589.db2.gz DBYIQQQVQQTIGE-UKRRQHHQSA-N -1 3 318.417 2.515 20 0 DFADHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000155746920 295324809 /nfs/dbraw/zinc/32/48/09/295324809.db2.gz QZOHXMFKOULXQJ-UHFFFAOYSA-N -1 3 324.731 2.644 20 0 DFADHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000155746920 295324812 /nfs/dbraw/zinc/32/48/12/295324812.db2.gz QZOHXMFKOULXQJ-UHFFFAOYSA-N -1 3 324.731 2.644 20 0 DFADHM O=C(Cc1cccc2cccnc21)NCc1ccc([O-])c(F)c1 ZINC000156261779 295333922 /nfs/dbraw/zinc/33/39/22/295333922.db2.gz VLWYUOYEHZCOGX-UHFFFAOYSA-N -1 3 310.328 2.938 20 0 DFADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1c(F)cccc1F ZINC000157266122 295346583 /nfs/dbraw/zinc/34/65/83/295346583.db2.gz CTJNZZFMQXMABJ-UHFFFAOYSA-N -1 3 308.675 2.913 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H]1CCCO1 ZINC000157713153 295352574 /nfs/dbraw/zinc/35/25/74/295352574.db2.gz OBYBLTBYRHVUDP-NWDGAFQWSA-N -1 3 321.801 2.715 20 0 DFADHM Cc1csc([C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000158808698 295367863 /nfs/dbraw/zinc/36/78/63/295367863.db2.gz IRJMKKFZCVCYNO-SECBINFHSA-N -1 3 309.366 2.857 20 0 DFADHM Cc1ccc(NC(=O)[C@H](C)Oc2cccc(CO)c2)c([O-])c1 ZINC000159280287 295374834 /nfs/dbraw/zinc/37/48/34/295374834.db2.gz WWAKVJAAZHRSOI-LBPRGKRZSA-N -1 3 301.342 2.599 20 0 DFADHM Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(CO)c2)c([O-])c1 ZINC000159280142 295375029 /nfs/dbraw/zinc/37/50/29/295375029.db2.gz WWAKVJAAZHRSOI-GFCCVEGCSA-N -1 3 301.342 2.599 20 0 DFADHM [O-]c1cccc(CNCCOC(F)(F)F)c1Br ZINC000398229330 295490126 /nfs/dbraw/zinc/49/01/26/295490126.db2.gz XHMKWDXKKNCTPT-UHFFFAOYSA-N -1 3 314.101 2.781 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1CCCC[C@@H]1OC ZINC000410619504 295511313 /nfs/dbraw/zinc/51/13/13/295511313.db2.gz CKMCKIUJOQRPNN-QWRGUYRKSA-N -1 3 324.377 2.557 20 0 DFADHM CC(=O)c1ccc2c(c1)CN(Cc1cc(=O)[n-]c(C3CC3)n1)C2 ZINC000411956816 295571338 /nfs/dbraw/zinc/57/13/38/295571338.db2.gz QNKVETCJQBAWJB-UHFFFAOYSA-N -1 3 309.369 2.778 20 0 DFADHM CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1nccs1 ZINC000412125724 295591750 /nfs/dbraw/zinc/59/17/50/295591750.db2.gz LLCVACZUHRRIJR-GFCCVEGCSA-N -1 3 304.371 2.932 20 0 DFADHM CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1nccs1 ZINC000412125729 295591786 /nfs/dbraw/zinc/59/17/86/295591786.db2.gz LLCVACZUHRRIJR-LBPRGKRZSA-N -1 3 304.371 2.932 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1[O-] ZINC000412139422 295592817 /nfs/dbraw/zinc/59/28/17/295592817.db2.gz RXFOCECDUONMQT-WBVHZDCISA-N -1 3 309.365 2.956 20 0 DFADHM COCCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@H]1CC[C@@H](C)C1 ZINC000412289514 295609110 /nfs/dbraw/zinc/60/91/10/295609110.db2.gz KWDNASAFHSMEPQ-DOMZBBRYSA-N -1 3 319.401 2.872 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CS[C@H](C)C3)c[n-]c12 ZINC000412574560 295635239 /nfs/dbraw/zinc/63/52/39/295635239.db2.gz AFQKXOBJYZTSJF-KOLCDFICSA-N -1 3 320.389 2.599 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C)CC(F)(F)F)c1 ZINC000412661863 295643152 /nfs/dbraw/zinc/64/31/52/295643152.db2.gz SSDWBVYXEYRRLU-MRVPVSSYSA-N -1 3 318.295 2.669 20 0 DFADHM C[C@@H]1C[C@H](CNC(=O)c2cc3c(cc2[O-])CCCC3)[C@@H](C)O1 ZINC000412686781 295645837 /nfs/dbraw/zinc/64/58/37/295645837.db2.gz NHZDVHIZZLOSGU-LALPHHSUSA-N -1 3 303.402 2.814 20 0 DFADHM CC(C)N(C)c1ccccc1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000438481921 297094659 /nfs/dbraw/zinc/09/46/59/297094659.db2.gz WXHOQPZDXDZHCZ-UHFFFAOYSA-N -1 3 323.400 2.733 20 0 DFADHM Cc1cccc(C(=O)NCc2ccncc2OCC(F)F)c1[O-] ZINC000441143234 297173218 /nfs/dbraw/zinc/17/32/18/297173218.db2.gz HLSGVCKLKAQGGY-UHFFFAOYSA-N -1 3 322.311 2.670 20 0 DFADHM COc1ccc2occ(C(=O)Nc3nnc(SC)[n-]3)c2c1 ZINC000442030017 297191006 /nfs/dbraw/zinc/19/10/06/297191006.db2.gz SAIZKXMAYWLAQM-UHFFFAOYSA-N -1 3 304.331 2.534 20 0 DFADHM COc1ccc2occ(C(=O)Nc3nc(SC)n[n-]3)c2c1 ZINC000442030017 297191007 /nfs/dbraw/zinc/19/10/07/297191007.db2.gz SAIZKXMAYWLAQM-UHFFFAOYSA-N -1 3 304.331 2.534 20 0 DFADHM COc1ccc2occ(C(=O)Nc3n[n-]c(SC)n3)c2c1 ZINC000442030017 297191009 /nfs/dbraw/zinc/19/10/09/297191009.db2.gz SAIZKXMAYWLAQM-UHFFFAOYSA-N -1 3 304.331 2.534 20 0 DFADHM COc1cc(C(=O)NCCc2cccc(F)c2F)ccc1[O-] ZINC000442650145 297198919 /nfs/dbraw/zinc/19/89/19/297198919.db2.gz NCGVFLLQSZLOFX-UHFFFAOYSA-N -1 3 307.296 2.652 20 0 DFADHM COc1cc(C(=O)NC[C@H](OC)c2ccc(F)cc2)ccc1[O-] ZINC000442680777 297201187 /nfs/dbraw/zinc/20/11/87/297201187.db2.gz PRGXZCSDLXNZRA-INIZCTEOSA-N -1 3 319.332 2.657 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)o1 ZINC000442788411 297206447 /nfs/dbraw/zinc/20/64/47/297206447.db2.gz FFTQLEOPJJLCIU-LBPRGKRZSA-N -1 3 311.334 2.529 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@H]1CCCOC1 ZINC000442801582 297206878 /nfs/dbraw/zinc/20/68/78/297206878.db2.gz NDJBRYCQVHZRIS-QMMMGPOBSA-N -1 3 305.252 2.656 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@@H]1CCCCO1 ZINC000442802725 297207279 /nfs/dbraw/zinc/20/72/79/297207279.db2.gz QIEYTSGXALKDAY-NSHDSACASA-N -1 3 305.252 2.798 20 0 DFADHM COCC[C@@H]1CCCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000442804389 297207414 /nfs/dbraw/zinc/20/74/14/297207414.db2.gz ZHQPANWCMRWVAO-ZDUSSCGKSA-N -1 3 307.390 2.680 20 0 DFADHM COc1cc(C(=O)NC(C)(C)c2ccc(C)nc2)ccc1[O-] ZINC000442808037 297207869 /nfs/dbraw/zinc/20/78/69/297207869.db2.gz GERQOHKFRYAKIH-UHFFFAOYSA-N -1 3 300.358 2.769 20 0 DFADHM CC(C)[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])N(C)C ZINC000442922298 297211148 /nfs/dbraw/zinc/21/11/48/297211148.db2.gz GLDZYLCYRWNSNT-LBPRGKRZSA-N -1 3 320.311 2.816 20 0 DFADHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000443306682 297218840 /nfs/dbraw/zinc/21/88/40/297218840.db2.gz GIUIKYRZETVSLT-ONGXEEELSA-N -1 3 323.817 2.555 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@@H](C)C2)c1 ZINC000444213358 297232913 /nfs/dbraw/zinc/23/29/13/297232913.db2.gz 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318158678 /nfs/dbraw/zinc/15/86/78/318158678.db2.gz AHFFRCFFSQANII-KBPBESRZSA-N -1 3 303.406 2.803 20 0 DFADHM C[C@H](CN(Cc1cc2c(c(Cl)c1)OCO2)C1CC1)C(=O)[O-] ZINC000577071715 318169829 /nfs/dbraw/zinc/16/98/29/318169829.db2.gz UZCWILWZIJGMQF-SECBINFHSA-N -1 3 311.765 2.754 20 0 DFADHM CCC[C@]1(C)CCCN(C(=O)c2c[n-]c3ccncc3c2=O)C1 ZINC000577160227 318174547 /nfs/dbraw/zinc/17/45/47/318174547.db2.gz OGTZMXQAWNEZFV-GOSISDBHSA-N -1 3 313.401 2.966 20 0 DFADHM CCOC[C@@H]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000577284919 318183305 /nfs/dbraw/zinc/18/33/05/318183305.db2.gz FICIUSCTRKMAHM-YGRLFVJLSA-N -1 3 315.772 2.963 20 0 DFADHM O=S(=O)(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc([O-])cc1 ZINC000577486264 318196334 /nfs/dbraw/zinc/19/63/34/318196334.db2.gz LXIPPCCZNHRHFF-MQMHXKEQSA-N -1 3 321.373 2.756 20 0 DFADHM CCCOc1cccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c1 ZINC000577491822 318196790 /nfs/dbraw/zinc/19/67/90/318196790.db2.gz NTAUUTZUEVBEIR-HNNXBMFYSA-N -1 3 313.419 2.642 20 0 DFADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(-c2ncco2)c1)C1CC1 ZINC000577512237 318198678 /nfs/dbraw/zinc/19/86/78/318198678.db2.gz IDVAVFMDYBJCGW-AWEZNQCLSA-N -1 3 322.386 2.508 20 0 DFADHM CCO[C@@H]1C[C@H](N(C)Cc2oncc2C(=O)[O-])C12CCCC2 ZINC000577618580 318205853 /nfs/dbraw/zinc/20/58/53/318205853.db2.gz LFXBMIPGWPBGSZ-UONOGXRCSA-N -1 3 308.378 2.542 20 0 DFADHM O=C(Cc1cncc([O-])c1)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000577866078 318223082 /nfs/dbraw/zinc/22/30/82/318223082.db2.gz XKMVCAHISYSXFT-JQWIXIFHSA-N -1 3 316.323 2.815 20 0 DFADHM CSc1cc(C)ccc1CNC(=O)Cc1cncc([O-])c1 ZINC000577866087 318223386 /nfs/dbraw/zinc/22/33/86/318223386.db2.gz XSXCBKLXGZQQGJ-UHFFFAOYSA-N -1 3 302.399 2.676 20 0 DFADHM Cc1ncc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c(=O)[n-]1 ZINC000577929176 318225981 /nfs/dbraw/zinc/22/59/81/318225981.db2.gz MHSGMJCXQZKJNM-NXEZZACHSA-N -1 3 323.805 2.625 20 0 DFADHM Cc1cscc1[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000578017331 318232511 /nfs/dbraw/zinc/23/25/11/318232511.db2.gz 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/nfs/dbraw/zinc/27/18/68/318271868.db2.gz AWFGQHORMZIPJN-WBVHZDCISA-N -1 3 311.381 2.903 20 0 DFADHM CO[C@H](C)c1nc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cs1 ZINC000578660619 318276653 /nfs/dbraw/zinc/27/66/53/318276653.db2.gz OQXRTCHUJIQBAC-RSLMWUCJSA-N -1 3 310.419 2.536 20 0 DFADHM O=C(Cc1cncc([O-])c1)N[C@H]1CCc2c1cccc2Cl ZINC000578683018 318277757 /nfs/dbraw/zinc/27/77/57/318277757.db2.gz KICQDUJEYGQEGT-HNNXBMFYSA-N -1 3 302.761 2.787 20 0 DFADHM Cc1ncc(CN[C@H](C)c2ncc(-c3ccccc3)n2C)c(=O)[n-]1 ZINC000578726290 318280526 /nfs/dbraw/zinc/28/05/26/318280526.db2.gz PRZSZPYNAXQHNW-GFCCVEGCSA-N -1 3 323.400 2.742 20 0 DFADHM CCC[C@@H](C)[C@H](CO)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000578757268 318283370 /nfs/dbraw/zinc/28/33/70/318283370.db2.gz TZDXDNHGVZJPKS-DOMZBBRYSA-N -1 3 311.397 2.767 20 0 DFADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Cc1cncc([O-])c1 ZINC000578764642 318283971 /nfs/dbraw/zinc/28/39/71/318283971.db2.gz OYPBUNYYGYLFRO-QGZVFWFLSA-N -1 3 310.397 2.872 20 0 DFADHM O=C(Cn1c(=O)[nH]c2ccccc21)Nc1c([O-])cccc1Cl ZINC000579289746 318319700 /nfs/dbraw/zinc/31/97/00/318319700.db2.gz HKXWZNKZTJBCPI-UHFFFAOYSA-N -1 3 317.732 2.740 20 0 DFADHM CO[C@H]1CCN(Cc2ccc(C(C)C)nc2C)[C@@H](C(=O)[O-])C1 ZINC000579377914 318327550 /nfs/dbraw/zinc/32/75/50/318327550.db2.gz GBYFFAOKECWSBM-GOEBONIOSA-N -1 3 306.406 2.577 20 0 DFADHM CCc1nc(C(C)C)ccc1CN1C[C@@H](OC)C[C@@H]1CC(=O)[O-] ZINC000579603983 318342673 /nfs/dbraw/zinc/34/26/73/318342673.db2.gz XDJDNYUCSFFVBA-CABCVRRESA-N -1 3 320.433 2.831 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000579617362 318344077 /nfs/dbraw/zinc/34/40/77/318344077.db2.gz PVLAYQBZVADGEN-KRWDZBQOSA-N -1 3 301.317 2.809 20 0 DFADHM C[C@@H]1CCN(Cc2cn(C)nc2-c2cccs2)C[C@@H]1C(=O)[O-] ZINC000579957495 318365912 /nfs/dbraw/zinc/36/59/12/318365912.db2.gz OSMKTGQUOUGQFH-YPMHNXCESA-N -1 3 319.430 2.691 20 0 DFADHM CC1(C)CN(C(=O)Cc2cncc([O-])c2)CC[C@H]1C(F)(F)F ZINC000579978257 318368039 /nfs/dbraw/zinc/36/80/39/318368039.db2.gz RTDDMLPQVCAOOG-GFCCVEGCSA-N -1 3 316.323 2.767 20 0 DFADHM COc1cncnc1[N-]C(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000580025872 318369188 /nfs/dbraw/zinc/36/91/88/318369188.db2.gz XJMNTRDTMFZKOF-UHFFFAOYSA-N -1 3 310.313 2.701 20 0 DFADHM CSc1ccc([N-]S(=O)(=O)CCc2ccccc2)cn1 ZINC000580142868 318378054 /nfs/dbraw/zinc/37/80/54/318378054.db2.gz ZDULBDCVSBHVPP-UHFFFAOYSA-N -1 3 308.428 2.788 20 0 DFADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc2c(c1[O-])CCCC2 ZINC000189317005 323223083 /nfs/dbraw/zinc/22/30/83/323223083.db2.gz RPBCVIPXROTNPN-BMFZPTHFSA-N -1 3 301.386 2.568 20 0 DFADHM CCc1ccc(C(=O)NCCCOCC(F)(F)F)c([O-])c1 ZINC000189558696 323224293 /nfs/dbraw/zinc/22/42/93/323224293.db2.gz VVHKHDBHQOXRJE-UHFFFAOYSA-N -1 3 305.296 2.653 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCOC1)c1ccc(Cl)c(Cl)c1 ZINC000193987745 323260602 /nfs/dbraw/zinc/26/06/02/323260602.db2.gz LVBXYSWYWLRKOF-SECBINFHSA-N -1 3 324.229 2.698 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2cn(Cc3ccccc3)nn2)c1 ZINC000194534088 323269779 /nfs/dbraw/zinc/26/97/79/323269779.db2.gz DRNBOWLZAHXBFU-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)NC)c2)c1 ZINC000195439398 323282647 /nfs/dbraw/zinc/28/26/47/323282647.db2.gz BADAOUNELGTTML-UHFFFAOYSA-N -1 3 313.357 2.958 20 0 DFADHM CN(CCC(=O)[O-])[C@H]1CCOc2ccc(Br)cc21 ZINC000386179830 323315956 /nfs/dbraw/zinc/31/59/56/323315956.db2.gz UDWBVKGYVPRERJ-NSHDSACASA-N -1 3 314.179 2.679 20 0 DFADHM CCCCN(CCCC)C(=O)CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000396962932 323354087 /nfs/dbraw/zinc/35/40/87/323354087.db2.gz DELGMBKHXHBRCA-GJZGRUSLSA-N -1 3 312.454 2.600 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(C3CC3)cc2)c1 ZINC000580299398 323366260 /nfs/dbraw/zinc/36/62/60/323366260.db2.gz CAJMLCTZRXZDPG-GFCCVEGCSA-N -1 3 319.430 2.820 20 0 DFADHM Cc1csc([C@@H]2CCCN(c3ccncc3C(=O)[O-])C2)n1 ZINC000580332039 323372947 /nfs/dbraw/zinc/37/29/47/323372947.db2.gz BFZMIXUGBJDWPK-LLVKDONJSA-N -1 3 303.387 2.929 20 0 DFADHM C[C@](O)(CN(Cc1cc(F)ccc1F)C1CCCC1)C(=O)[O-] ZINC000580440902 323386507 /nfs/dbraw/zinc/38/65/07/323386507.db2.gz VPAIJVOQOWPWTK-INIZCTEOSA-N -1 3 313.344 2.545 20 0 DFADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@@H](O)C(C)(C)C3)c2c1 ZINC000580556244 323403413 /nfs/dbraw/zinc/40/34/13/323403413.db2.gz IVJYJVNFAQEWMU-OAHLLOKOSA-N -1 3 314.385 2.839 20 0 DFADHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1 ZINC000581153764 323483624 /nfs/dbraw/zinc/48/36/24/323483624.db2.gz JVKPJRMACVZNMN-LBPRGKRZSA-N -1 3 307.337 2.923 20 0 DFADHM COCC1([N-]S(=O)(=O)c2cc(C)c(F)cc2F)CCCC1 ZINC000581201607 323491028 /nfs/dbraw/zinc/49/10/28/323491028.db2.gz DFLKRMIFIAAIGI-UHFFFAOYSA-N -1 3 319.373 2.511 20 0 DFADHM CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000581259467 323498305 /nfs/dbraw/zinc/49/83/05/323498305.db2.gz KEEKTCXYIILZPB-UHFFFAOYSA-N -1 3 301.321 2.865 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000581648122 323553854 /nfs/dbraw/zinc/55/38/54/323553854.db2.gz CRNPPYFQKYAMNT-JLZZUVOBSA-N -1 3 319.376 2.538 20 0 DFADHM C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])N1CC(C)C1 ZINC000582497394 323683849 /nfs/dbraw/zinc/68/38/49/323683849.db2.gz XFIHEHJJNDUCQH-SECBINFHSA-N -1 3 318.295 2.570 20 0 DFADHM COC(=O)c1ccc(Cl)c(CNC2(C(=O)[O-])CCCC2)c1 ZINC000582730540 323726999 /nfs/dbraw/zinc/72/69/99/323726999.db2.gz LLJIEIRTNVNVGD-UHFFFAOYSA-N -1 3 311.765 2.614 20 0 DFADHM CCc1ncnc(CC)c1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000582907125 323759238 /nfs/dbraw/zinc/75/92/38/323759238.db2.gz VBKGHXWFYVPCSS-UHFFFAOYSA-N -1 3 313.357 2.762 20 0 DFADHM O=C([O-])c1cnc2ccccc2c1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000582912328 323761106 /nfs/dbraw/zinc/76/11/06/323761106.db2.gz YNVBMPSHTGRCTH-QWHCGFSZSA-N -1 3 312.369 2.796 20 0 DFADHM O=C(NC1(c2cccc(F)c2)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582973502 323772423 /nfs/dbraw/zinc/77/24/23/323772423.db2.gz BEYYDZMNWOVLRZ-UHFFFAOYSA-N -1 3 313.332 2.618 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])NC[C@@H](O)C1CCC1 ZINC000583008327 323778363 /nfs/dbraw/zinc/77/83/63/323778363.db2.gz AFHUVSQZQDCMAN-QGZVFWFLSA-N -1 3 313.397 2.755 20 0 DFADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3C[C@H](O)C(C)(C)C3)c2c1 ZINC000583443198 323855829 /nfs/dbraw/zinc/85/58/29/323855829.db2.gz CECIOHFJWPQJKB-AWEZNQCLSA-N -1 3 314.385 2.757 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1Cl ZINC000583866013 323925340 /nfs/dbraw/zinc/92/53/40/323925340.db2.gz GSCQZWBIAVBLRN-UHFFFAOYSA-N -1 3 303.811 2.817 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCN(c2c(C)c(C)nc3ccccc32)C1 ZINC000583874644 323928030 /nfs/dbraw/zinc/92/80/30/323928030.db2.gz BYBXTAWQSKFIHG-GOSISDBHSA-N -1 3 314.385 2.779 20 0 DFADHM Cn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1C1CCC1 ZINC000584278488 332193200 /nfs/dbraw/zinc/19/32/00/332193200.db2.gz GSTYLBYHHXFVQI-UHFFFAOYSA-N -1 3 317.418 2.748 20 0 DFADHM C[N-]S(=O)(=O)c1cc(NC[C@@H](C)c2ccccc2)ccc1F ZINC000584474380 337346100 /nfs/dbraw/zinc/34/61/00/337346100.db2.gz PFOXLAQCDWTTFJ-GFCCVEGCSA-N -1 3 322.405 2.949 20 0 DFADHM 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O=C(NCCN1Cc2ccccc2C1)c1cc([O-])ccc1Cl ZINC000685660535 546382526 /nfs/dbraw/zinc/38/25/26/546382526.db2.gz CHJFGRPNVLZIJK-UHFFFAOYSA-N -1 3 316.788 2.791 20 0 DFADHM COc1cc(CCNC(=O)c2cc([O-])ccc2Cl)ccc1O ZINC000685740308 546386600 /nfs/dbraw/zinc/38/66/00/546386600.db2.gz FOBZTANNMXHMMU-UHFFFAOYSA-N -1 3 321.760 2.732 20 0 DFADHM COc1cccc([C@H](CO)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000685809775 546393127 /nfs/dbraw/zinc/39/31/27/546393127.db2.gz XZQPECYGRLTVBK-HNNXBMFYSA-N -1 3 321.760 2.518 20 0 DFADHM CC(C)[C@H](CNC(=O)c1cc([O-])ccc1Cl)c1ccnn1C ZINC000685831511 546396287 /nfs/dbraw/zinc/39/62/87/546396287.db2.gz UFRNCCFQEGPCRT-ZDUSSCGKSA-N -1 3 321.808 2.949 20 0 DFADHM Cc1ccc([O-])c(CN2CCC(=O)Nc3cc(F)ccc32)n1 ZINC000685848748 546398603 /nfs/dbraw/zinc/39/86/03/546398603.db2.gz VCFRVHLFMLYAKI-UHFFFAOYSA-N -1 3 301.321 2.584 20 0 DFADHM CCOC(=O)CCCCSc1ccc(-c2nnn[n-]2)cc1 ZINC000736592064 598824925 /nfs/dbraw/zinc/82/49/25/598824925.db2.gz LIXXOPLMONVMKP-UHFFFAOYSA-N -1 3 306.391 2.692 20 0 DFADHM CCOC(=O)CCCCSc1ccc(-c2nn[n-]n2)cc1 ZINC000736592064 598824926 /nfs/dbraw/zinc/82/49/26/598824926.db2.gz LIXXOPLMONVMKP-UHFFFAOYSA-N -1 3 306.391 2.692 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736326658 599435730 /nfs/dbraw/zinc/43/57/30/599435730.db2.gz CFPHWVWOMCMJCN-OTYXRUKQSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736326658 599435732 /nfs/dbraw/zinc/43/57/32/599435732.db2.gz CFPHWVWOMCMJCN-OTYXRUKQSA-N -1 3 309.801 2.729 20 0 DFADHM C[C@]1(c2ccccc2)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000736228193 598829736 /nfs/dbraw/zinc/82/97/36/598829736.db2.gz GXJHRYAMBWJBIY-SFHVURJKSA-N -1 3 320.400 2.820 20 0 DFADHM C[C@]1(c2ccccc2)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000736228193 598829738 /nfs/dbraw/zinc/82/97/38/598829738.db2.gz GXJHRYAMBWJBIY-SFHVURJKSA-N -1 3 320.400 2.820 20 0 DFADHM CCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736305732 598835460 /nfs/dbraw/zinc/83/54/60/598835460.db2.gz 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/nfs/dbraw/zinc/78/61/12/607786112.db2.gz WNPJIQHSIZWLRJ-UHFFFAOYSA-N -1 3 319.434 2.609 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000736114335 598876663 /nfs/dbraw/zinc/87/66/63/598876663.db2.gz AZPKGFQRHKIPBS-SNVBAGLBSA-N -1 3 300.366 2.567 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000736114335 598876665 /nfs/dbraw/zinc/87/66/65/598876665.db2.gz AZPKGFQRHKIPBS-SNVBAGLBSA-N -1 3 300.366 2.567 20 0 DFADHM CC(C)(C)CCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735603173 598888400 /nfs/dbraw/zinc/88/84/00/598888400.db2.gz YXJKEZVTYMHTJT-UHFFFAOYSA-N -1 3 302.382 2.815 20 0 DFADHM CC(C)(C)CCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735603173 598888402 /nfs/dbraw/zinc/88/84/02/598888402.db2.gz YXJKEZVTYMHTJT-UHFFFAOYSA-N -1 3 302.382 2.815 20 0 DFADHM CC[C@@H]1c2ccccc2CCN1c1ncccc1-c1nnn[n-]1 ZINC000736408625 598914268 /nfs/dbraw/zinc/91/42/68/598914268.db2.gz FWHNIHZNZBDORF-OAHLLOKOSA-N -1 3 306.373 2.776 20 0 DFADHM CC[C@@H]1c2ccccc2CCN1c1ncccc1-c1nn[n-]n1 ZINC000736408625 598914270 /nfs/dbraw/zinc/91/42/70/598914270.db2.gz FWHNIHZNZBDORF-OAHLLOKOSA-N -1 3 306.373 2.776 20 0 DFADHM Cl/C=C(\Cl)CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826350076 608529375 /nfs/dbraw/zinc/52/93/75/608529375.db2.gz HJBFCZWIMYOEHI-XFFZJAGNSA-N -1 3 310.188 2.764 20 0 DFADHM Cl/C=C(\Cl)CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826350076 608529376 /nfs/dbraw/zinc/52/93/76/608529376.db2.gz HJBFCZWIMYOEHI-XFFZJAGNSA-N -1 3 310.188 2.764 20 0 DFADHM CC(C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735752147 598928839 /nfs/dbraw/zinc/92/88/39/598928839.db2.gz XYMBQPGJJIFBRP-ZDUSSCGKSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735752147 598928841 /nfs/dbraw/zinc/92/88/41/598928841.db2.gz XYMBQPGJJIFBRP-ZDUSSCGKSA-N -1 3 313.405 2.765 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nccn1C1CC1 ZINC000737557589 598936023 /nfs/dbraw/zinc/93/60/23/598936023.db2.gz GEMPPORJKDQDCH-UHFFFAOYSA-N -1 3 319.781 2.598 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nccn1C1CC1 ZINC000737557589 598936026 /nfs/dbraw/zinc/93/60/26/598936026.db2.gz GEMPPORJKDQDCH-UHFFFAOYSA-N -1 3 319.781 2.598 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CC=CC1 ZINC000736479086 598939501 /nfs/dbraw/zinc/93/95/01/598939501.db2.gz IUANQKYTDLMIOQ-UHFFFAOYSA-N -1 3 311.389 2.572 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CC=CC1 ZINC000736479086 598939503 /nfs/dbraw/zinc/93/95/03/598939503.db2.gz IUANQKYTDLMIOQ-UHFFFAOYSA-N -1 3 311.389 2.572 20 0 DFADHM CC[C@@H]1CCC[C@@H](NC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736400160 598942305 /nfs/dbraw/zinc/94/23/05/598942305.db2.gz MOXFDDQAVWULBP-NXEZZACHSA-N -1 3 305.407 2.627 20 0 DFADHM CC[C@@H]1CCC[C@@H](NC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736400160 598942308 /nfs/dbraw/zinc/94/23/08/598942308.db2.gz MOXFDDQAVWULBP-NXEZZACHSA-N -1 3 305.407 2.627 20 0 DFADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000736007788 599007092 /nfs/dbraw/zinc/00/70/92/599007092.db2.gz DXBZBCZBKQPWDT-BZYZDCJZSA-N -1 3 313.405 2.678 20 0 DFADHM C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000736007788 599007094 /nfs/dbraw/zinc/00/70/94/599007094.db2.gz DXBZBCZBKQPWDT-BZYZDCJZSA-N -1 3 313.405 2.678 20 0 DFADHM O=C(C[C@H]1CCc2ccccc21)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737819698 599015156 /nfs/dbraw/zinc/01/51/56/599015156.db2.gz OMTGQYSPPPXHGG-CQSZACIVSA-N -1 3 320.352 2.892 20 0 DFADHM O=C(C[C@H]1CCc2ccccc21)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737819698 599015157 /nfs/dbraw/zinc/01/51/57/599015157.db2.gz OMTGQYSPPPXHGG-CQSZACIVSA-N -1 3 320.352 2.892 20 0 DFADHM CCOC(=O)C[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736592300 599014116 /nfs/dbraw/zinc/01/41/16/599014116.db2.gz BYTFVCVNGSTOPU-VIFPVBQESA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)C[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736592300 599014118 /nfs/dbraw/zinc/01/41/18/599014118.db2.gz BYTFVCVNGSTOPU-VIFPVBQESA-N -1 3 324.381 2.581 20 0 DFADHM CC(C)[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735708213 599038067 /nfs/dbraw/zinc/03/80/67/599038067.db2.gz LNWSCXZZTIIGRJ-ZETCQYMHSA-N -1 3 300.288 2.737 20 0 DFADHM CC(C)[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735708213 599038069 /nfs/dbraw/zinc/03/80/69/599038069.db2.gz LNWSCXZZTIIGRJ-ZETCQYMHSA-N -1 3 300.288 2.737 20 0 DFADHM CCCCN(CC)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736456518 599039136 /nfs/dbraw/zinc/03/91/36/599039136.db2.gz JIRKWPAPCYZGAR-UHFFFAOYSA-N -1 3 314.315 2.907 20 0 DFADHM CCCCN(CC)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736456518 599039138 /nfs/dbraw/zinc/03/91/38/599039138.db2.gz JIRKWPAPCYZGAR-UHFFFAOYSA-N -1 3 314.315 2.907 20 0 DFADHM CC1(C)[C@H](Nc2cccc(F)c2-c2nnn[n-]2)[C@@H]2CCCO[C@H]21 ZINC000820584344 599042892 /nfs/dbraw/zinc/04/28/92/599042892.db2.gz HZASGZQOFWLAQI-CUOATXAZSA-N -1 3 317.368 2.621 20 0 DFADHM CC1(C)[C@H](Nc2cccc(F)c2-c2nn[n-]n2)[C@@H]2CCCO[C@H]21 ZINC000820584344 599042895 /nfs/dbraw/zinc/04/28/95/599042895.db2.gz HZASGZQOFWLAQI-CUOATXAZSA-N -1 3 317.368 2.621 20 0 DFADHM Cc1occc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737556545 599047132 /nfs/dbraw/zinc/04/71/32/599047132.db2.gz MFYUBSHGSLAJNH-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM Cc1occc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737556545 599047133 /nfs/dbraw/zinc/04/71/33/599047133.db2.gz MFYUBSHGSLAJNH-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM CC1(C)[C@@H]2CN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C[C@@H]21 ZINC000820585006 599052813 /nfs/dbraw/zinc/05/28/13/599052813.db2.gz MMJWFJRUMVDLIV-BETUJISGSA-N -1 3 306.373 2.507 20 0 DFADHM CC1(C)[C@@H]2CN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C[C@@H]21 ZINC000820585006 599052815 /nfs/dbraw/zinc/05/28/15/599052815.db2.gz MMJWFJRUMVDLIV-BETUJISGSA-N -1 3 306.373 2.507 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1Sc1ccnc(C2CC2)n1 ZINC000822748133 599057881 /nfs/dbraw/zinc/05/78/81/599057881.db2.gz JMAOUXJXLBFJGB-UHFFFAOYSA-N -1 3 314.349 2.824 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1Sc1ccnc(C2CC2)n1 ZINC000822748133 599057884 /nfs/dbraw/zinc/05/78/84/599057884.db2.gz JMAOUXJXLBFJGB-UHFFFAOYSA-N -1 3 314.349 2.824 20 0 DFADHM COC(C)(C)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000821673470 599067359 /nfs/dbraw/zinc/06/73/59/599067359.db2.gz CECFPLWAHAMKTL-UHFFFAOYSA-N -1 3 315.299 2.722 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C1CCCCCCC1 ZINC000738151997 599076215 /nfs/dbraw/zinc/07/62/15/599076215.db2.gz OFOYJZPDBDBDJB-UHFFFAOYSA-N -1 3 300.366 2.561 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C1CCCCCCC1 ZINC000738151997 599076217 /nfs/dbraw/zinc/07/62/17/599076217.db2.gz OFOYJZPDBDBDJB-UHFFFAOYSA-N -1 3 300.366 2.561 20 0 DFADHM C[C@@H](COCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820288489 599080012 /nfs/dbraw/zinc/08/00/12/599080012.db2.gz WCQFXJMKUSBQMW-ZDUSSCGKSA-N -1 3 309.373 2.884 20 0 DFADHM C[C@H](COCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820288488 599080131 /nfs/dbraw/zinc/08/01/31/599080131.db2.gz WCQFXJMKUSBQMW-CYBMUJFWSA-N -1 3 309.373 2.884 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N(C)CCc2cccs2)n1 ZINC000822191945 599087977 /nfs/dbraw/zinc/08/79/77/599087977.db2.gz VDCQOQPEJQTUCO-UHFFFAOYSA-N -1 3 314.418 2.619 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N(C)CCc2cccs2)n1 ZINC000822191945 599087980 /nfs/dbraw/zinc/08/79/80/599087980.db2.gz VDCQOQPEJQTUCO-UHFFFAOYSA-N -1 3 314.418 2.619 20 0 DFADHM CCC(CC)(CC)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736335633 599088953 /nfs/dbraw/zinc/08/89/53/599088953.db2.gz UGMKDFPJZOIGRL-QXMHVHEDSA-N -1 3 313.405 2.965 20 0 DFADHM CCC(CC)(CC)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736335633 599088956 /nfs/dbraw/zinc/08/89/56/599088956.db2.gz UGMKDFPJZOIGRL-QXMHVHEDSA-N -1 3 313.405 2.965 20 0 DFADHM CC(C)[C@@H](C)SCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820020985 599130281 /nfs/dbraw/zinc/13/02/81/599130281.db2.gz NSYUVJHCBINEAW-LLVKDONJSA-N -1 3 319.434 2.973 20 0 DFADHM CC(C)[C@@H](C)SCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820020985 599130284 /nfs/dbraw/zinc/13/02/84/599130284.db2.gz NSYUVJHCBINEAW-LLVKDONJSA-N -1 3 319.434 2.973 20 0 DFADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1CCC1 ZINC000820115966 599146390 /nfs/dbraw/zinc/14/63/90/599146390.db2.gz CYIUKZBVDZKRQU-UHFFFAOYSA-N -1 3 313.405 2.794 20 0 DFADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC1CCC1 ZINC000820115966 599146393 /nfs/dbraw/zinc/14/63/93/599146393.db2.gz CYIUKZBVDZKRQU-UHFFFAOYSA-N -1 3 313.405 2.794 20 0 DFADHM COc1ccnc(CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737154975 599166753 /nfs/dbraw/zinc/16/67/53/599166753.db2.gz BPVIFCFMPUCVTM-UHFFFAOYSA-N -1 3 317.349 2.702 20 0 DFADHM COc1ccnc(CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737154975 599166754 /nfs/dbraw/zinc/16/67/54/599166754.db2.gz BPVIFCFMPUCVTM-UHFFFAOYSA-N -1 3 317.349 2.702 20 0 DFADHM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737333907 599167120 /nfs/dbraw/zinc/16/71/20/599167120.db2.gz WKEPYKNRRFXBMS-CQSZACIVSA-N -1 3 323.356 2.745 20 0 DFADHM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737333907 599167121 /nfs/dbraw/zinc/16/71/21/599167121.db2.gz WKEPYKNRRFXBMS-CQSZACIVSA-N -1 3 323.356 2.745 20 0 DFADHM Cc1ccc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737336803 599170358 /nfs/dbraw/zinc/17/03/58/599170358.db2.gz HATBYDDQTCZQTK-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1ccc(CCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737336803 599170361 /nfs/dbraw/zinc/17/03/61/599170361.db2.gz HATBYDDQTCZQTK-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Fc1cccc(F)c1[C@H]1C[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000737659340 599171641 /nfs/dbraw/zinc/17/16/41/599171641.db2.gz CLRGDVCHVZTCDK-CABZTGNLSA-N -1 3 314.299 2.508 20 0 DFADHM Fc1cccc(F)c1[C@H]1C[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000737659340 599171643 /nfs/dbraw/zinc/17/16/43/599171643.db2.gz CLRGDVCHVZTCDK-CABZTGNLSA-N -1 3 314.299 2.508 20 0 DFADHM COCc1nc(CSc2ccccc2-c2nn[n-]n2)cs1 ZINC000821696693 599350235 /nfs/dbraw/zinc/35/02/35/599350235.db2.gz MPAOLNXAGYOOSE-UHFFFAOYSA-N -1 3 319.415 2.762 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1SCCOCC(F)(F)F ZINC000737645444 599172159 /nfs/dbraw/zinc/17/21/59/599172159.db2.gz YNKAQWVUDASNCN-UHFFFAOYSA-N -1 3 322.287 2.677 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1SCCOCC(F)(F)F ZINC000737645444 599172161 /nfs/dbraw/zinc/17/21/61/599172161.db2.gz YNKAQWVUDASNCN-UHFFFAOYSA-N -1 3 322.287 2.677 20 0 DFADHM CCOC(=O)CCCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000736593173 599172704 /nfs/dbraw/zinc/17/27/04/599172704.db2.gz YHNHJXVATSOVHX-UHFFFAOYSA-N -1 3 324.381 2.831 20 0 DFADHM CCOC(=O)CCCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000736593173 599172707 /nfs/dbraw/zinc/17/27/07/599172707.db2.gz YHNHJXVATSOVHX-UHFFFAOYSA-N -1 3 324.381 2.831 20 0 DFADHM Cc1ccc(CCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737336900 599181814 /nfs/dbraw/zinc/18/18/14/599181814.db2.gz JMPGNPSNTXTJBY-UHFFFAOYSA-N -1 3 322.372 2.539 20 0 DFADHM Cc1ccc(CCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737336900 599181816 /nfs/dbraw/zinc/18/18/16/599181816.db2.gz JMPGNPSNTXTJBY-UHFFFAOYSA-N -1 3 322.372 2.539 20 0 DFADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000823488274 599205203 /nfs/dbraw/zinc/20/52/03/599205203.db2.gz KUZYGDIUFQJOBX-HNNXBMFYSA-N -1 3 323.331 2.593 20 0 DFADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000823488274 599205205 /nfs/dbraw/zinc/20/52/05/599205205.db2.gz KUZYGDIUFQJOBX-HNNXBMFYSA-N -1 3 323.331 2.593 20 0 DFADHM CCC/C=C/C(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC ZINC000736438710 599218314 /nfs/dbraw/zinc/21/83/14/599218314.db2.gz KCKGUTLHOHLJPI-VOTSOKGWSA-N -1 3 302.334 2.527 20 0 DFADHM CCC/C=C/C(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC ZINC000736438710 599218316 /nfs/dbraw/zinc/21/83/16/599218316.db2.gz KCKGUTLHOHLJPI-VOTSOKGWSA-N -1 3 302.334 2.527 20 0 DFADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC2(C1)CCCCC2 ZINC000738265741 599223348 /nfs/dbraw/zinc/22/33/48/599223348.db2.gz CBLNBDLQDAIZHS-UHFFFAOYSA-N -1 3 311.389 2.663 20 0 DFADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC2(C1)CCCCC2 ZINC000738265741 599223349 /nfs/dbraw/zinc/22/33/49/599223349.db2.gz CBLNBDLQDAIZHS-UHFFFAOYSA-N -1 3 311.389 2.663 20 0 DFADHM CC[C@H]1CCCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000736403483 599224302 /nfs/dbraw/zinc/22/43/02/599224302.db2.gz VPACFXROXYNWIG-JTQLQIEISA-N -1 3 305.407 2.581 20 0 DFADHM CC[C@H]1CCCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000736403483 599224304 /nfs/dbraw/zinc/22/43/04/599224304.db2.gz VPACFXROXYNWIG-JTQLQIEISA-N -1 3 305.407 2.581 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CSCCOCC1CC1 ZINC000822743653 599226505 /nfs/dbraw/zinc/22/65/05/599226505.db2.gz BSYWPQANNKZCQS-UHFFFAOYSA-N -1 3 308.382 2.666 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CSCCOCC1CC1 ZINC000822743653 599226507 /nfs/dbraw/zinc/22/65/07/599226507.db2.gz BSYWPQANNKZCQS-UHFFFAOYSA-N -1 3 308.382 2.666 20 0 DFADHM CC(C)(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735603703 599230388 /nfs/dbraw/zinc/23/03/88/599230388.db2.gz OGNYKADPVZBCGJ-SNVBAGLBSA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735603703 599230391 /nfs/dbraw/zinc/23/03/91/599230391.db2.gz OGNYKADPVZBCGJ-SNVBAGLBSA-N -1 3 309.801 2.729 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1sccc1-c1nnn[n-]1 ZINC000738023584 599227278 /nfs/dbraw/zinc/22/72/78/599227278.db2.gz GQIJZAWXLKNPIF-OUAUKWLOSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1sccc1-c1nn[n-]n1 ZINC000738023584 599227281 /nfs/dbraw/zinc/22/72/81/599227281.db2.gz GQIJZAWXLKNPIF-OUAUKWLOSA-N -1 3 317.418 2.627 20 0 DFADHM COCc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821695212 607266804 /nfs/dbraw/zinc/26/68/04/607266804.db2.gz OAAKWTKXDZWTLU-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM COCc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821695212 607266805 /nfs/dbraw/zinc/26/68/05/607266805.db2.gz OAAKWTKXDZWTLU-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820870101 599243206 /nfs/dbraw/zinc/24/32/06/599243206.db2.gz MRMLABOSJANMSW-WDEREUQCSA-N -1 3 302.382 2.813 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820870101 599243208 /nfs/dbraw/zinc/24/32/08/599243208.db2.gz MRMLABOSJANMSW-WDEREUQCSA-N -1 3 302.382 2.813 20 0 DFADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNCCC(=O)[O-] ZINC000789898136 597134385 /nfs/dbraw/zinc/13/43/85/597134385.db2.gz FRQNGHOBZBJQEM-UHFFFAOYSA-N -1 3 321.808 2.766 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(F)c1 ZINC000822227309 607269278 /nfs/dbraw/zinc/26/92/78/607269278.db2.gz CWJXQBREPVLRAA-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(F)c1 ZINC000822227309 607269279 /nfs/dbraw/zinc/26/92/79/607269279.db2.gz CWJXQBREPVLRAA-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CCSCC[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821462270 599245518 /nfs/dbraw/zinc/24/55/18/599245518.db2.gz XXIFZOKMMLGMLZ-SNVBAGLBSA-N -1 3 320.422 2.520 20 0 DFADHM CCSCC[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821462270 599245521 /nfs/dbraw/zinc/24/55/21/599245521.db2.gz XXIFZOKMMLGMLZ-SNVBAGLBSA-N -1 3 320.422 2.520 20 0 DFADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820697445 599245752 /nfs/dbraw/zinc/24/57/52/599245752.db2.gz HIUMXIAJUPARCS-NWDGAFQWSA-N -1 3 314.393 2.909 20 0 DFADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820697445 599245753 /nfs/dbraw/zinc/24/57/53/599245753.db2.gz HIUMXIAJUPARCS-NWDGAFQWSA-N -1 3 314.393 2.909 20 0 DFADHM Cc1c(NC(=O)N2CCCCC[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822084225 607282214 /nfs/dbraw/zinc/28/22/14/607282214.db2.gz HISRACLZFGVPJR-LLVKDONJSA-N -1 3 314.393 2.972 20 0 DFADHM Cc1c(NC(=O)N2CCCCC[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822084225 607282215 /nfs/dbraw/zinc/28/22/15/607282215.db2.gz HISRACLZFGVPJR-LLVKDONJSA-N -1 3 314.393 2.972 20 0 DFADHM Cc1c(NC(=O)NCCC2CCCC2)cccc1-c1nnn[n-]1 ZINC000822096484 607283306 /nfs/dbraw/zinc/28/33/06/607283306.db2.gz OENDIPCCUMHWBC-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM Cc1c(NC(=O)NCCC2CCCC2)cccc1-c1nn[n-]n1 ZINC000822096484 607283307 /nfs/dbraw/zinc/28/33/07/607283307.db2.gz OENDIPCCUMHWBC-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM Cc1c(NC(=O)c2ccc(F)cc2F)cccc1-c1nnn[n-]1 ZINC000822107735 607294260 /nfs/dbraw/zinc/29/42/60/607294260.db2.gz CMBGQXVNTZCAMU-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1c(NC(=O)c2ccc(F)cc2F)cccc1-c1nn[n-]n1 ZINC000822107735 607294261 /nfs/dbraw/zinc/29/42/61/607294261.db2.gz CMBGQXVNTZCAMU-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM CCC(CC)c1cc(CNc2cnccc2-c2nnn[n-]2)on1 ZINC000825115119 607841670 /nfs/dbraw/zinc/84/16/70/607841670.db2.gz UMFSVMGRKFTWDQ-UHFFFAOYSA-N -1 3 313.365 2.765 20 0 DFADHM CCC(CC)c1cc(CNc2cnccc2-c2nn[n-]n2)on1 ZINC000825115119 607841671 /nfs/dbraw/zinc/84/16/71/607841671.db2.gz UMFSVMGRKFTWDQ-UHFFFAOYSA-N -1 3 313.365 2.765 20 0 DFADHM O=C([O-])CCN[C@H]1CCc2c1c(Br)ccc2F ZINC000821524823 597454919 /nfs/dbraw/zinc/45/49/19/597454919.db2.gz HOGMEAFMENZFJB-JTQLQIEISA-N -1 3 302.143 2.640 20 0 DFADHM Cc1nc2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2o1 ZINC000822463732 607311778 /nfs/dbraw/zinc/31/17/78/607311778.db2.gz VRQLJFFARDRFRW-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1nc2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2o1 ZINC000822463732 607311779 /nfs/dbraw/zinc/31/17/79/607311779.db2.gz VRQLJFFARDRFRW-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM COCc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821695887 607312442 /nfs/dbraw/zinc/31/24/42/607312442.db2.gz LVUQRZIXLKXCDL-UHFFFAOYSA-N -1 3 301.375 2.687 20 0 DFADHM COCc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821695887 607312443 /nfs/dbraw/zinc/31/24/43/607312443.db2.gz LVUQRZIXLKXCDL-UHFFFAOYSA-N -1 3 301.375 2.687 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc3c(c2)COC3)n1 ZINC000822193374 607305755 /nfs/dbraw/zinc/30/57/55/607305755.db2.gz VFVLXQCPVGCPAM-UHFFFAOYSA-N -1 3 322.372 2.521 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2ccc3c(c2)COC3)n1 ZINC000822193374 607305756 /nfs/dbraw/zinc/30/57/56/607305756.db2.gz VFVLXQCPVGCPAM-UHFFFAOYSA-N -1 3 322.372 2.521 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820869236 599278415 /nfs/dbraw/zinc/27/84/15/599278415.db2.gz FFYRRLFBKMWNTF-UWVGGRQHSA-N -1 3 320.372 2.952 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820869236 599278417 /nfs/dbraw/zinc/27/84/17/599278417.db2.gz FFYRRLFBKMWNTF-UWVGGRQHSA-N -1 3 320.372 2.952 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000819832643 607321307 /nfs/dbraw/zinc/32/13/07/607321307.db2.gz AHQAEEGMCBTIHV-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000819832643 607321308 /nfs/dbraw/zinc/32/13/08/607321308.db2.gz AHQAEEGMCBTIHV-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM CC(=O)c1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000819845168 607321733 /nfs/dbraw/zinc/32/17/33/607321733.db2.gz PZVWEWOQOBEUQX-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM CC(=O)c1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000819845168 607321734 /nfs/dbraw/zinc/32/17/34/607321734.db2.gz PZVWEWOQOBEUQX-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM CN(CCC(=O)[O-])Cc1ccccc1OCc1ccncc1 ZINC000820586270 598127421 /nfs/dbraw/zinc/12/74/21/598127421.db2.gz RUEUTXYTHLBEAR-UHFFFAOYSA-N -1 3 300.358 2.567 20 0 DFADHM COc1ccc(CN(CC(=O)[O-])C(C)C)c(Cl)c1OC ZINC000086748004 598127753 /nfs/dbraw/zinc/12/77/53/598127753.db2.gz OTMXIWGERWGFGP-UHFFFAOYSA-N -1 3 301.770 2.652 20 0 DFADHM CN(Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736828646 598234619 /nfs/dbraw/zinc/23/46/19/598234619.db2.gz PYRAMSSDBRCWDB-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736827888 598234794 /nfs/dbraw/zinc/23/47/94/598234794.db2.gz CUZVLSOXGDRAPI-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCc2ccccc2C1 ZINC000737639481 598235376 /nfs/dbraw/zinc/23/53/76/598235376.db2.gz CUVMWHRXKQBWBS-CQSZACIVSA-N -1 3 309.348 2.975 20 0 DFADHM Fc1ccccc1CCNc1ccc(-c2nn[n-]n2)cc1F ZINC000737670736 598236435 /nfs/dbraw/zinc/23/64/35/598236435.db2.gz WVLWBAYOKLRSRN-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM CCC(CC)CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736341661 598239285 /nfs/dbraw/zinc/23/92/85/598239285.db2.gz GLQADFSDHNEAQC-UHFFFAOYSA-N -1 3 319.434 2.511 20 0 DFADHM CCC(CC)CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736341661 598239286 /nfs/dbraw/zinc/23/92/86/598239286.db2.gz GLQADFSDHNEAQC-UHFFFAOYSA-N -1 3 319.434 2.511 20 0 DFADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737410585 598241154 /nfs/dbraw/zinc/24/11/54/598241154.db2.gz VLVLSXYQWOEVGU-INIZCTEOSA-N -1 3 319.368 2.592 20 0 DFADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737410585 598241156 /nfs/dbraw/zinc/24/11/56/598241156.db2.gz VLVLSXYQWOEVGU-INIZCTEOSA-N -1 3 319.368 2.592 20 0 DFADHM CCc1cccc2c1OCC[C@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736694829 598248218 /nfs/dbraw/zinc/24/82/18/598248218.db2.gz DRNQOBDWFOROSX-CQSZACIVSA-N -1 3 322.372 2.760 20 0 DFADHM CCc1cccc2c1OCC[C@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736694829 598248219 /nfs/dbraw/zinc/24/82/19/598248219.db2.gz DRNQOBDWFOROSX-CQSZACIVSA-N -1 3 322.372 2.760 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC(C)(C)O1 ZINC000736291720 598276659 /nfs/dbraw/zinc/27/66/59/598276659.db2.gz YHSBXNHDMNRNFB-VIFPVBQESA-N -1 3 307.785 2.524 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC(C)(C)O1 ZINC000736291720 598276660 /nfs/dbraw/zinc/27/66/60/598276660.db2.gz YHSBXNHDMNRNFB-VIFPVBQESA-N -1 3 307.785 2.524 20 0 DFADHM CCCC[C@@H](CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736440189 598301619 /nfs/dbraw/zinc/30/16/19/598301619.db2.gz XJUMKEAZTRLZLE-LLVKDONJSA-N -1 3 319.384 2.838 20 0 DFADHM CCCC[C@@H](CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736440189 598301620 /nfs/dbraw/zinc/30/16/20/598301620.db2.gz XJUMKEAZTRLZLE-LLVKDONJSA-N -1 3 319.384 2.838 20 0 DFADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCC1CCCC1 ZINC000737956438 598307841 /nfs/dbraw/zinc/30/78/41/598307841.db2.gz YLQMFLNGRCAYCQ-UHFFFAOYSA-N -1 3 300.362 2.533 20 0 DFADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCC1CCCC1 ZINC000737956438 598307843 /nfs/dbraw/zinc/30/78/43/598307843.db2.gz YLQMFLNGRCAYCQ-UHFFFAOYSA-N -1 3 300.362 2.533 20 0 DFADHM CN(C(=O)CCC1CCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733568 598311214 /nfs/dbraw/zinc/31/12/14/598311214.db2.gz VDLGZWXBXCCJNQ-UHFFFAOYSA-N -1 3 317.368 2.939 20 0 DFADHM CN(C(=O)CCC1CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733568 598311216 /nfs/dbraw/zinc/31/12/16/598311216.db2.gz VDLGZWXBXCCJNQ-UHFFFAOYSA-N -1 3 317.368 2.939 20 0 DFADHM Fc1cccc(NCCCNc2ccccc2)c1-c1nnn[n-]1 ZINC000737663271 598312659 /nfs/dbraw/zinc/31/26/59/598312659.db2.gz IHVRIHQRDMBNBI-UHFFFAOYSA-N -1 3 312.352 2.920 20 0 DFADHM Fc1cccc(NCCCNc2ccccc2)c1-c1nn[n-]n1 ZINC000737663271 598312661 /nfs/dbraw/zinc/31/26/61/598312661.db2.gz IHVRIHQRDMBNBI-UHFFFAOYSA-N -1 3 312.352 2.920 20 0 DFADHM CC(C)c1noc(CSCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000735954352 598313211 /nfs/dbraw/zinc/31/32/11/598313211.db2.gz XFNKKRUEBHUGEK-UHFFFAOYSA-N -1 3 316.390 2.807 20 0 DFADHM CC(C)c1noc(CSCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000735954352 598313213 /nfs/dbraw/zinc/31/32/13/598313213.db2.gz XFNKKRUEBHUGEK-UHFFFAOYSA-N -1 3 316.390 2.807 20 0 DFADHM CC(C)[C@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735707673 598318588 /nfs/dbraw/zinc/31/85/88/598318588.db2.gz JQLVGRIBVVKLFO-QMMMGPOBSA-N -1 3 324.841 2.851 20 0 DFADHM CC(C)[C@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735707673 598318590 /nfs/dbraw/zinc/31/85/90/598318590.db2.gz JQLVGRIBVVKLFO-QMMMGPOBSA-N -1 3 324.841 2.851 20 0 DFADHM CC[C@H](C)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736322808 598319984 /nfs/dbraw/zinc/31/99/84/598319984.db2.gz PAGATXAAVZVIAF-QMMMGPOBSA-N -1 3 324.841 2.947 20 0 DFADHM CC[C@H](C)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736322808 598319986 /nfs/dbraw/zinc/31/99/86/598319986.db2.gz PAGATXAAVZVIAF-QMMMGPOBSA-N -1 3 324.841 2.947 20 0 DFADHM CCN(Cc1ccoc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736555717 598356555 /nfs/dbraw/zinc/35/65/55/598356555.db2.gz KHYGHMDGDVNUAN-UHFFFAOYSA-N -1 3 312.333 2.514 20 0 DFADHM CCN(Cc1ccoc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736555717 598356556 /nfs/dbraw/zinc/35/65/56/598356556.db2.gz KHYGHMDGDVNUAN-UHFFFAOYSA-N -1 3 312.333 2.514 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@@H]2CCCS2)c1-c1nn[n-]n1 ZINC000821465783 599631541 /nfs/dbraw/zinc/63/15/41/599631541.db2.gz PAVVERPOQHZNOV-VIFPVBQESA-N -1 3 323.447 2.633 20 0 DFADHM C(=CC1=Cc2ccccc2OC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000735391106 598363024 /nfs/dbraw/zinc/36/30/24/598363024.db2.gz LTZPMTULCKBCJG-ALCCZGGFSA-N -1 3 303.325 2.751 20 0 DFADHM C(=CC1=Cc2ccccc2OC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000735391106 598363026 /nfs/dbraw/zinc/36/30/26/598363026.db2.gz LTZPMTULCKBCJG-ALCCZGGFSA-N -1 3 303.325 2.751 20 0 DFADHM Fc1cccc(N2CC[C@@H](Nc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000737662216 598374677 /nfs/dbraw/zinc/37/46/77/598374677.db2.gz RZMDZFDDEQIQAY-CYBMUJFWSA-N -1 3 324.363 2.697 20 0 DFADHM Fc1cccc(N2CC[C@@H](Nc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000737662216 598374679 /nfs/dbraw/zinc/37/46/79/598374679.db2.gz RZMDZFDDEQIQAY-CYBMUJFWSA-N -1 3 324.363 2.697 20 0 DFADHM Cc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737341429 598386669 /nfs/dbraw/zinc/38/66/69/598386669.db2.gz HNPIIXSEJIMGES-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737341429 598386671 /nfs/dbraw/zinc/38/66/71/598386671.db2.gz HNPIIXSEJIMGES-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1=CCCCC1 ZINC000736821498 598395977 /nfs/dbraw/zinc/39/59/77/598395977.db2.gz XKVJOBGGMYPQGJ-UHFFFAOYSA-N -1 3 311.389 2.716 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1=CCCCC1 ZINC000736821498 598395979 /nfs/dbraw/zinc/39/59/79/598395979.db2.gz XKVJOBGGMYPQGJ-UHFFFAOYSA-N -1 3 311.389 2.716 20 0 DFADHM CCCCCNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000736451386 598414131 /nfs/dbraw/zinc/41/41/31/598414131.db2.gz MAORDAQCWJIBNG-LLVKDONJSA-N -1 3 319.434 2.654 20 0 DFADHM CCCCCNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000736451386 598414133 /nfs/dbraw/zinc/41/41/33/598414133.db2.gz MAORDAQCWJIBNG-LLVKDONJSA-N -1 3 319.434 2.654 20 0 DFADHM Cc1cc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C)[nH]1 ZINC000737228016 598419338 /nfs/dbraw/zinc/41/93/38/598419338.db2.gz RURXYSYUQTVUOT-UHFFFAOYSA-N -1 3 313.386 2.787 20 0 DFADHM Cc1cc(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(C)[nH]1 ZINC000737228016 598419339 /nfs/dbraw/zinc/41/93/39/598419339.db2.gz RURXYSYUQTVUOT-UHFFFAOYSA-N -1 3 313.386 2.787 20 0 DFADHM CSc1ccsc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737193258 598419570 /nfs/dbraw/zinc/41/95/70/598419570.db2.gz ZBOXMRSJXZCOIL-UHFFFAOYSA-N -1 3 317.399 2.902 20 0 DFADHM CSc1ccsc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737193258 598419572 /nfs/dbraw/zinc/41/95/72/598419572.db2.gz ZBOXMRSJXZCOIL-UHFFFAOYSA-N -1 3 317.399 2.902 20 0 DFADHM CCCC[C@@H](CC)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736437717 598484846 /nfs/dbraw/zinc/48/48/46/598484846.db2.gz KMUQXWDHBCKTOK-LLVKDONJSA-N -1 3 303.366 2.635 20 0 DFADHM CCCC[C@@H](CC)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736437717 598484844 /nfs/dbraw/zinc/48/48/44/598484844.db2.gz KMUQXWDHBCKTOK-LLVKDONJSA-N -1 3 303.366 2.635 20 0 DFADHM O=C(OC[C@@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000738219798 598485916 /nfs/dbraw/zinc/48/59/16/598485916.db2.gz BZSNSNCMVIWOLD-HNNXBMFYSA-N -1 3 320.352 2.754 20 0 DFADHM O=C(OC[C@@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000738219798 598485918 /nfs/dbraw/zinc/48/59/18/598485918.db2.gz BZSNSNCMVIWOLD-HNNXBMFYSA-N -1 3 320.352 2.754 20 0 DFADHM C[C@H](OC(=O)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000736163042 598490880 /nfs/dbraw/zinc/49/08/80/598490880.db2.gz LIIIDVOTSVFACE-VIFPVBQESA-N -1 3 300.343 2.846 20 0 DFADHM C[C@H](OC(=O)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000736163042 598490881 /nfs/dbraw/zinc/49/08/81/598490881.db2.gz LIIIDVOTSVFACE-VIFPVBQESA-N -1 3 300.343 2.846 20 0 DFADHM Cc1ccc([S@@](=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737370043 598491066 /nfs/dbraw/zinc/49/10/66/598491066.db2.gz MQCRYOIJODIINT-QFIPXVFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1ccc([S@@](=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737370043 598491067 /nfs/dbraw/zinc/49/10/67/598491067.db2.gz MQCRYOIJODIINT-QFIPXVFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1ccc(C)c([S@@](=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737325386 598491236 /nfs/dbraw/zinc/49/12/36/598491236.db2.gz FNVQLJQAHMMLJE-QFIPXVFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1ccc(C)c([S@@](=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737325386 598491237 /nfs/dbraw/zinc/49/12/37/598491237.db2.gz FNVQLJQAHMMLJE-QFIPXVFZSA-N -1 3 312.398 2.791 20 0 DFADHM Clc1cc(NCCCOCC2CC2)ccc1-c1nnn[n-]1 ZINC000737565031 598508173 /nfs/dbraw/zinc/50/81/73/598508173.db2.gz MODVEWCZSTYCFA-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM Clc1cc(NCCCOCC2CC2)ccc1-c1nn[n-]n1 ZINC000737565031 598508174 /nfs/dbraw/zinc/50/81/74/598508174.db2.gz MODVEWCZSTYCFA-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM CC(C)(C)OCCSCCOc1ccccc1-c1nnn[n-]1 ZINC000735639645 598511438 /nfs/dbraw/zinc/51/14/38/598511438.db2.gz LDLQVHIDFXHDKU-UHFFFAOYSA-N -1 3 322.434 2.794 20 0 DFADHM CC(C)(C)OCCSCCOc1ccccc1-c1nn[n-]n1 ZINC000735639645 598511440 /nfs/dbraw/zinc/51/14/40/598511440.db2.gz LDLQVHIDFXHDKU-UHFFFAOYSA-N -1 3 322.434 2.794 20 0 DFADHM C/C=C\CSCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736301320 598511476 /nfs/dbraw/zinc/51/14/76/598511476.db2.gz ABRHWRSHBVAGFS-IHWYPQMZSA-N -1 3 323.809 2.768 20 0 DFADHM C/C=C\CSCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736301320 598511478 /nfs/dbraw/zinc/51/14/78/598511478.db2.gz ABRHWRSHBVAGFS-IHWYPQMZSA-N -1 3 323.809 2.768 20 0 DFADHM CC[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736403794 598532624 /nfs/dbraw/zinc/53/26/24/598532624.db2.gz XDVNJFMQYPFSNE-JTQLQIEISA-N -1 3 320.784 2.926 20 0 DFADHM CC[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736403794 598532625 /nfs/dbraw/zinc/53/26/25/598532625.db2.gz XDVNJFMQYPFSNE-JTQLQIEISA-N -1 3 320.784 2.926 20 0 DFADHM Cc1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1F ZINC000737316081 598541296 /nfs/dbraw/zinc/54/12/96/598541296.db2.gz RGRGYLDLZNWUCU-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1F ZINC000737316081 598541297 /nfs/dbraw/zinc/54/12/97/598541297.db2.gz RGRGYLDLZNWUCU-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM COc1ccccc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737151197 598548226 /nfs/dbraw/zinc/54/82/26/598548226.db2.gz DGMPGRHXLGWJBN-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1ccccc1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737151197 598548228 /nfs/dbraw/zinc/54/82/28/598548228.db2.gz DGMPGRHXLGWJBN-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM C[C@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1F ZINC000735571454 598551522 /nfs/dbraw/zinc/55/15/22/598551522.db2.gz XMDPZVAGDLJQGX-QMMMGPOBSA-N -1 3 317.349 2.810 20 0 DFADHM C[C@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1F ZINC000735571454 598551523 /nfs/dbraw/zinc/55/15/23/598551523.db2.gz XMDPZVAGDLJQGX-QMMMGPOBSA-N -1 3 317.349 2.810 20 0 DFADHM C[C@@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1F ZINC000735571452 598551625 /nfs/dbraw/zinc/55/16/25/598551625.db2.gz XMDPZVAGDLJQGX-MRVPVSSYSA-N -1 3 317.349 2.810 20 0 DFADHM C[C@@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1F ZINC000735571452 598551626 /nfs/dbraw/zinc/55/16/26/598551626.db2.gz XMDPZVAGDLJQGX-MRVPVSSYSA-N -1 3 317.349 2.810 20 0 DFADHM Cc1cc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000737263768 598577353 /nfs/dbraw/zinc/57/73/53/598577353.db2.gz JFRFUZNXTAUKSR-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM Cc1cc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000737263768 598577355 /nfs/dbraw/zinc/57/73/55/598577355.db2.gz JFRFUZNXTAUKSR-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM COC[C@H](C)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736972994 598577497 /nfs/dbraw/zinc/57/74/97/598577497.db2.gz ZCMYGTHZSUNNOL-MRVPVSSYSA-N -1 3 315.299 2.580 20 0 DFADHM COC[C@H](C)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736972994 598577499 /nfs/dbraw/zinc/57/74/99/598577499.db2.gz ZCMYGTHZSUNNOL-MRVPVSSYSA-N -1 3 315.299 2.580 20 0 DFADHM COc1ccccc1CCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000737148993 598630315 /nfs/dbraw/zinc/63/03/15/598630315.db2.gz FFBDGAVILVWTTI-UHFFFAOYSA-N -1 3 313.336 2.669 20 0 DFADHM COc1ccccc1CCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000737148993 598630317 /nfs/dbraw/zinc/63/03/17/598630317.db2.gz FFBDGAVILVWTTI-UHFFFAOYSA-N -1 3 313.336 2.669 20 0 DFADHM C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736259016 598631732 /nfs/dbraw/zinc/63/17/32/598631732.db2.gz IIVMBEHINGWDPZ-NXEZZACHSA-N -1 3 318.356 2.706 20 0 DFADHM C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736259016 598631733 /nfs/dbraw/zinc/63/17/33/598631733.db2.gz IIVMBEHINGWDPZ-NXEZZACHSA-N -1 3 318.356 2.706 20 0 DFADHM CCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736422039 598632298 /nfs/dbraw/zinc/63/22/98/598632298.db2.gz FHYNJOZHSLXQAG-VIFPVBQESA-N -1 3 306.345 2.658 20 0 DFADHM CCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736422039 598632299 /nfs/dbraw/zinc/63/22/99/598632299.db2.gz FHYNJOZHSLXQAG-VIFPVBQESA-N -1 3 306.345 2.658 20 0 DFADHM Cc1nc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cs1 ZINC000737477428 598635001 /nfs/dbraw/zinc/63/50/01/598635001.db2.gz LWWPYFUYKCFRAC-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1nc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cs1 ZINC000737477428 598635003 /nfs/dbraw/zinc/63/50/03/598635003.db2.gz LWWPYFUYKCFRAC-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM O=C1CCc2c1cccc2OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000738305136 598644995 /nfs/dbraw/zinc/64/49/95/598644995.db2.gz SOZCMGUTNFUNGU-UHFFFAOYSA-N -1 3 324.315 2.714 20 0 DFADHM O=C1CCc2c1cccc2OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000738305136 598644997 /nfs/dbraw/zinc/64/49/97/598644997.db2.gz SOZCMGUTNFUNGU-UHFFFAOYSA-N -1 3 324.315 2.714 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cccc2ccccc21 ZINC000738149677 598662349 /nfs/dbraw/zinc/66/23/49/598662349.db2.gz FTTOQGLZNYVRAL-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cccc2ccccc21 ZINC000738149677 598662351 /nfs/dbraw/zinc/66/23/51/598662351.db2.gz FTTOQGLZNYVRAL-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM CC(C)CCOCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735820032 598666225 /nfs/dbraw/zinc/66/62/25/598666225.db2.gz OLFPJLHWRCYAAH-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM CC(C)CCOCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735820032 598666227 /nfs/dbraw/zinc/66/62/27/598666227.db2.gz OLFPJLHWRCYAAH-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM CC(C)OC1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000735893991 598673272 /nfs/dbraw/zinc/67/32/72/598673272.db2.gz ATNZMPNGYVQOTL-UHFFFAOYSA-N -1 3 321.812 2.914 20 0 DFADHM CC(C)OC1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000735893991 598673274 /nfs/dbraw/zinc/67/32/74/598673274.db2.gz ATNZMPNGYVQOTL-UHFFFAOYSA-N -1 3 321.812 2.914 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CC[C@@H](c2ccco2)C1 ZINC000737562446 598677379 /nfs/dbraw/zinc/67/73/79/598677379.db2.gz JDPKCDWRWNGXKD-SECBINFHSA-N -1 3 316.752 2.502 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CC[C@@H](c2ccco2)C1 ZINC000737562446 598677381 /nfs/dbraw/zinc/67/73/81/598677381.db2.gz JDPKCDWRWNGXKD-SECBINFHSA-N -1 3 316.752 2.502 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000737318758 598702869 /nfs/dbraw/zinc/70/28/69/598702869.db2.gz XIDVENUXLMMHSH-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000737318758 598702870 /nfs/dbraw/zinc/70/28/70/598702870.db2.gz XIDVENUXLMMHSH-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM C[C@H]1CCC[C@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736247351 598734473 /nfs/dbraw/zinc/73/44/73/598734473.db2.gz BWSMSBXKJXLGFT-STQMWFEESA-N -1 3 313.405 2.589 20 0 DFADHM C[C@H]1CCC[C@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736247351 598734474 /nfs/dbraw/zinc/73/44/74/598734474.db2.gz BWSMSBXKJXLGFT-STQMWFEESA-N -1 3 313.405 2.589 20 0 DFADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NC3CCC3)c2c1 ZINC000737643824 598773513 /nfs/dbraw/zinc/77/35/13/598773513.db2.gz GEXMECSEOAIYIS-UHFFFAOYSA-N -1 3 302.288 2.658 20 0 DFADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NC3CCC3)c2c1 ZINC000737643824 598773515 /nfs/dbraw/zinc/77/35/15/598773515.db2.gz GEXMECSEOAIYIS-UHFFFAOYSA-N -1 3 302.288 2.658 20 0 DFADHM CC[C@@H](C)[C@](C)(O)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736333880 598774768 /nfs/dbraw/zinc/77/47/68/598774768.db2.gz VRZGDICDXCJVKP-YMTOWFKASA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@@H](C)[C@](C)(O)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736333880 598774770 /nfs/dbraw/zinc/77/47/70/598774770.db2.gz VRZGDICDXCJVKP-YMTOWFKASA-N -1 3 309.801 2.729 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC000738232552 598788333 /nfs/dbraw/zinc/78/83/33/598788333.db2.gz LFJFUIRRZYQGGB-MRXNPFEDSA-N -1 3 320.352 2.640 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC000738232552 598788335 /nfs/dbraw/zinc/78/83/35/598788335.db2.gz LFJFUIRRZYQGGB-MRXNPFEDSA-N -1 3 320.352 2.640 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(F)cc1C ZINC000821736134 607369180 /nfs/dbraw/zinc/36/91/80/607369180.db2.gz CRMPCOVVNUNYIG-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(F)cc1C ZINC000821736134 607369182 /nfs/dbraw/zinc/36/91/82/607369182.db2.gz CRMPCOVVNUNYIG-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM CC(C)[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735699997 598803835 /nfs/dbraw/zinc/80/38/35/598803835.db2.gz DTXKNXBCSKHZDG-JTQLQIEISA-N -1 3 304.398 2.654 20 0 DFADHM CC(C)[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735699997 598803837 /nfs/dbraw/zinc/80/38/37/598803837.db2.gz DTXKNXBCSKHZDG-JTQLQIEISA-N -1 3 304.398 2.654 20 0 DFADHM Cc1ccc([C@@H]2CCCCN2c2ncccc2-c2nnn[n-]2)o1 ZINC000737329397 599297014 /nfs/dbraw/zinc/29/70/14/599297014.db2.gz JLDXANSXXJKJHH-ZDUSSCGKSA-N -1 3 310.361 2.895 20 0 DFADHM Cc1ccc([C@@H]2CCCCN2c2ncccc2-c2nn[n-]n2)o1 ZINC000737329397 599297016 /nfs/dbraw/zinc/29/70/16/599297016.db2.gz JLDXANSXXJKJHH-ZDUSSCGKSA-N -1 3 310.361 2.895 20 0 DFADHM CN(C(=O)c1ccc(Cl)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736741564 599308005 /nfs/dbraw/zinc/30/80/05/599308005.db2.gz FSYKQFIRTSMRRQ-UHFFFAOYSA-N -1 3 319.777 2.858 20 0 DFADHM CN(C(=O)c1ccc(Cl)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736741564 599308008 /nfs/dbraw/zinc/30/80/08/599308008.db2.gz FSYKQFIRTSMRRQ-UHFFFAOYSA-N -1 3 319.777 2.858 20 0 DFADHM CCN(C(=O)C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502566 599311201 /nfs/dbraw/zinc/31/12/01/599311201.db2.gz NVYMPGIBERUXNU-JYRVWZFOSA-N -1 3 319.368 2.933 20 0 DFADHM CCN(C(=O)C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502566 599311204 /nfs/dbraw/zinc/31/12/04/599311204.db2.gz NVYMPGIBERUXNU-JYRVWZFOSA-N -1 3 319.368 2.933 20 0 DFADHM CCN(C(=O)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509117 599313003 /nfs/dbraw/zinc/31/30/03/599313003.db2.gz SKWBWHZNMBYVMN-UHFFFAOYSA-N -1 3 311.320 2.673 20 0 DFADHM CCN(C(=O)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509117 599313006 /nfs/dbraw/zinc/31/30/06/599313006.db2.gz SKWBWHZNMBYVMN-UHFFFAOYSA-N -1 3 311.320 2.673 20 0 DFADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000820847371 599341519 /nfs/dbraw/zinc/34/15/19/599341519.db2.gz CAQZNGJYOVZSJZ-SNVBAGLBSA-N -1 3 319.434 2.652 20 0 DFADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000820847371 599341521 /nfs/dbraw/zinc/34/15/21/599341521.db2.gz CAQZNGJYOVZSJZ-SNVBAGLBSA-N -1 3 319.434 2.652 20 0 DFADHM Clc1cccc(CSc2cc(-c3nnn[n-]3)ccn2)n1 ZINC000822585506 599342543 /nfs/dbraw/zinc/34/25/43/599342543.db2.gz BJITWLGLHCWRET-UHFFFAOYSA-N -1 3 304.766 2.602 20 0 DFADHM Clc1cccc(CSc2cc(-c3nn[n-]n3)ccn2)n1 ZINC000822585506 599342545 /nfs/dbraw/zinc/34/25/45/599342545.db2.gz BJITWLGLHCWRET-UHFFFAOYSA-N -1 3 304.766 2.602 20 0 DFADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC1CCCC1 ZINC000822505497 607370143 /nfs/dbraw/zinc/37/01/43/607370143.db2.gz LZKABOQUHCKTEF-UHFFFAOYSA-N -1 3 309.377 2.624 20 0 DFADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC1CCCC1 ZINC000822505497 607370144 /nfs/dbraw/zinc/37/01/44/607370144.db2.gz LZKABOQUHCKTEF-UHFFFAOYSA-N -1 3 309.377 2.624 20 0 DFADHM CC(C)[C@@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000735748064 599349709 /nfs/dbraw/zinc/34/97/09/599349709.db2.gz HCBCCJPBWWEBIW-LBPRGKRZSA-N -1 3 306.801 2.930 20 0 DFADHM CC(C)[C@@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000735748064 599349712 /nfs/dbraw/zinc/34/97/12/599349712.db2.gz HCBCCJPBWWEBIW-LBPRGKRZSA-N -1 3 306.801 2.930 20 0 DFADHM COCc1nc(CSc2ccccc2-c2nnn[n-]2)cs1 ZINC000821696693 599350232 /nfs/dbraw/zinc/35/02/32/599350232.db2.gz MPAOLNXAGYOOSE-UHFFFAOYSA-N -1 3 319.415 2.762 20 0 DFADHM Cc1ncsc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737504269 599362406 /nfs/dbraw/zinc/36/24/06/599362406.db2.gz ZQOAPMMFQUNWOM-SECBINFHSA-N -1 3 315.358 2.550 20 0 DFADHM Cc1ncsc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737504269 599362409 /nfs/dbraw/zinc/36/24/09/599362409.db2.gz ZQOAPMMFQUNWOM-SECBINFHSA-N -1 3 315.358 2.550 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)C1(c2ccccc2F)CC1 ZINC000738250447 599370646 /nfs/dbraw/zinc/37/06/46/599370646.db2.gz GMIYLUPPWZPRLI-UHFFFAOYSA-N -1 3 324.315 2.643 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)C1(c2ccccc2F)CC1 ZINC000738250447 599370648 /nfs/dbraw/zinc/37/06/48/599370648.db2.gz GMIYLUPPWZPRLI-UHFFFAOYSA-N -1 3 324.315 2.643 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc2occc2s1 ZINC000738191891 599371044 /nfs/dbraw/zinc/37/10/44/599371044.db2.gz NIMVKNSZHIRROP-UHFFFAOYSA-N -1 3 311.326 2.927 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc2occc2s1 ZINC000738191891 599371046 /nfs/dbraw/zinc/37/10/46/599371046.db2.gz NIMVKNSZHIRROP-UHFFFAOYSA-N -1 3 311.326 2.927 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)c2sccc2-c2nnn[n-]2)[C@H](C)C1 ZINC000736244751 599375808 /nfs/dbraw/zinc/37/58/08/599375808.db2.gz MWMYZQUTHSZDKB-FXPVBKGRSA-N -1 3 306.391 2.910 20 0 DFADHM C[C@H](CCC(C)(C)C)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735987489 599380244 /nfs/dbraw/zinc/38/02/44/599380244.db2.gz ZTRVQDHCOGJLGX-SECBINFHSA-N -1 3 307.423 2.873 20 0 DFADHM C[C@H](CCC(C)(C)C)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735987489 599380247 /nfs/dbraw/zinc/38/02/47/599380247.db2.gz ZTRVQDHCOGJLGX-SECBINFHSA-N -1 3 307.423 2.873 20 0 DFADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)c(F)c1 ZINC000820432129 599390225 /nfs/dbraw/zinc/39/02/25/599390225.db2.gz MISCCWOUYCHAET-QMMMGPOBSA-N -1 3 305.288 2.589 20 0 DFADHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(F)c(F)c1 ZINC000820432129 599390228 /nfs/dbraw/zinc/39/02/28/599390228.db2.gz MISCCWOUYCHAET-QMMMGPOBSA-N -1 3 305.288 2.589 20 0 DFADHM COc1cc(CNc2cc(Cl)ccc2-c2nnn[n-]2)ccn1 ZINC000737046944 599402222 /nfs/dbraw/zinc/40/22/22/599402222.db2.gz ICUWNUQQSIPQIF-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1cc(CNc2cc(Cl)ccc2-c2nn[n-]n2)ccn1 ZINC000737046944 599402224 /nfs/dbraw/zinc/40/22/24/599402224.db2.gz ICUWNUQQSIPQIF-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CCOCCCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736610080 599413284 /nfs/dbraw/zinc/41/32/84/599413284.db2.gz GBNIEKDHHJMGCL-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM CCOCCCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736610080 599413285 /nfs/dbraw/zinc/41/32/85/599413285.db2.gz GBNIEKDHHJMGCL-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM Cc1noc(C)c1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737539026 599419069 /nfs/dbraw/zinc/41/90/69/599419069.db2.gz XPIFDTZBGUJMGH-UHFFFAOYSA-N -1 3 304.741 2.737 20 0 DFADHM Cc1noc(C)c1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737539026 599419071 /nfs/dbraw/zinc/41/90/71/599419071.db2.gz XPIFDTZBGUJMGH-UHFFFAOYSA-N -1 3 304.741 2.737 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nc(C)cs1 ZINC000821752096 607377660 /nfs/dbraw/zinc/37/76/60/607377660.db2.gz GJOANWCRTMWYDF-UHFFFAOYSA-N -1 3 319.415 2.933 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nc(C)cs1 ZINC000821752096 607377662 /nfs/dbraw/zinc/37/76/62/607377662.db2.gz GJOANWCRTMWYDF-UHFFFAOYSA-N -1 3 319.415 2.933 20 0 DFADHM Clc1ccc(C2(NCc3ccc(-c4nnn[n-]4)o3)CC2)cc1 ZINC000822573881 599437255 /nfs/dbraw/zinc/43/72/55/599437255.db2.gz KHMNBWBGESUPOC-UHFFFAOYSA-N -1 3 315.764 2.892 20 0 DFADHM Clc1ccc(C2(NCc3ccc(-c4nn[n-]n4)o3)CC2)cc1 ZINC000822573881 599437257 /nfs/dbraw/zinc/43/72/57/599437257.db2.gz KHMNBWBGESUPOC-UHFFFAOYSA-N -1 3 315.764 2.892 20 0 DFADHM CO[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)C(F)(F)F ZINC000736959355 599439351 /nfs/dbraw/zinc/43/93/51/599439351.db2.gz BKCYCCAVPNESSQ-VIFPVBQESA-N -1 3 321.690 2.509 20 0 DFADHM CO[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)C(F)(F)F ZINC000736959355 599439354 /nfs/dbraw/zinc/43/93/54/599439354.db2.gz BKCYCCAVPNESSQ-VIFPVBQESA-N -1 3 321.690 2.509 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1cc(F)ccc1F ZINC000821749454 607378804 /nfs/dbraw/zinc/37/88/04/607378804.db2.gz NBSVXUBSRLHNCY-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1cc(F)ccc1F ZINC000821749454 607378806 /nfs/dbraw/zinc/37/88/06/607378806.db2.gz NBSVXUBSRLHNCY-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM CSCCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737181006 599441127 /nfs/dbraw/zinc/44/11/27/599441127.db2.gz FUXFCSOIITWVQQ-UHFFFAOYSA-N -1 3 300.391 2.580 20 0 DFADHM CSCCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737181006 599441130 /nfs/dbraw/zinc/44/11/30/599441130.db2.gz FUXFCSOIITWVQQ-UHFFFAOYSA-N -1 3 300.391 2.580 20 0 DFADHM CN(Cc1ccncc1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821615686 599469248 /nfs/dbraw/zinc/46/92/48/599469248.db2.gz IZLBDWUUJRTARD-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1ccncc1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821615686 599469249 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CCC[C@](C)(NCc1csc([C@H](C)OCC)n1)C(=O)[O-] ZINC000736961841 600261626 /nfs/dbraw/zinc/26/16/26/600261626.db2.gz ANERZQHDHVCBNU-HZMBPMFUSA-N -1 3 300.424 2.974 20 0 DFADHM C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1cccc(C(=O)[O-])c1 ZINC000736597889 600329875 /nfs/dbraw/zinc/32/98/75/600329875.db2.gz CKSRJFBNUYXMFE-LBPRGKRZSA-N -1 3 322.405 2.730 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000736760302 600332240 /nfs/dbraw/zinc/33/22/40/600332240.db2.gz BZEJQIUSGOUREV-XQQFMLRXSA-N -1 3 319.405 2.654 20 0 DFADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000738290385 600374280 /nfs/dbraw/zinc/37/42/80/600374280.db2.gz AKYNUPFGQBRTPP-KOLCDFICSA-N -1 3 312.797 2.628 20 0 DFADHM C[C@H](CN(C)[C@H](C)C(=O)Nc1ccc2ccccc2c1)C(=O)[O-] ZINC000736572801 600374979 /nfs/dbraw/zinc/37/49/79/600374979.db2.gz SAYODQQCCOQHBA-CHWSQXEVSA-N -1 3 314.385 2.819 20 0 DFADHM Cc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826295298 607441104 /nfs/dbraw/zinc/44/11/04/607441104.db2.gz BCTYMEJHOKLMAI-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM Cc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826295298 607441106 /nfs/dbraw/zinc/44/11/06/607441106.db2.gz BCTYMEJHOKLMAI-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccsc1 ZINC000824040196 607790296 /nfs/dbraw/zinc/79/02/96/607790296.db2.gz MSKRDJBVIKRZDM-SNVBAGLBSA-N -1 3 313.386 2.695 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccsc1 ZINC000824040196 607790297 /nfs/dbraw/zinc/79/02/97/607790297.db2.gz MSKRDJBVIKRZDM-SNVBAGLBSA-N -1 3 313.386 2.695 20 0 DFADHM O=C([O-])[C@@H](NCc1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000739500645 600417109 /nfs/dbraw/zinc/41/71/09/600417109.db2.gz RFSXHEMMFCBVLO-HNNXBMFYSA-N -1 3 319.744 2.984 20 0 DFADHM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)CC(C)C ZINC000737069656 600508683 /nfs/dbraw/zinc/50/86/83/600508683.db2.gz MTWVPVFZRYZMMD-UHFFFAOYSA-N -1 3 324.446 2.851 20 0 DFADHM 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3 308.320 2.868 20 0 DFADHM Cc1ccc2c(c1)nc(-c1ccc(-c3nn[n-]n3)cc1F)n2C ZINC000822280047 607458101 /nfs/dbraw/zinc/45/81/01/607458101.db2.gz IMUTWIOTKZEFDG-UHFFFAOYSA-N -1 3 308.320 2.868 20 0 DFADHM Cn1c2ccc(F)cc2nc1-c1ccc(-c2nnn[n-]2)cc1F ZINC000822590234 607458363 /nfs/dbraw/zinc/45/83/63/607458363.db2.gz JYXYTXWRDBVYBF-UHFFFAOYSA-N -1 3 312.283 2.699 20 0 DFADHM Cn1c2ccc(F)cc2nc1-c1ccc(-c2nn[n-]n2)cc1F ZINC000822590234 607458365 /nfs/dbraw/zinc/45/83/65/607458365.db2.gz JYXYTXWRDBVYBF-UHFFFAOYSA-N -1 3 312.283 2.699 20 0 DFADHM COc1ccc(OCCN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832443855 600734531 /nfs/dbraw/zinc/73/45/31/600734531.db2.gz AAAGUBXYRZSVPA-MRXNPFEDSA-N -1 3 319.332 2.629 20 0 DFADHM C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736678082 600793468 /nfs/dbraw/zinc/79/34/68/600793468.db2.gz SSATXNMBNIPDSH-CYBMUJFWSA-N -1 3 317.360 2.907 20 0 DFADHM CN(C(=O)CN1CCC2(CCCC2)C1)c1ccccc1C(=O)[O-] ZINC000830478161 600849937 /nfs/dbraw/zinc/84/99/37/600849937.db2.gz 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ZINC000825741816 601177745 /nfs/dbraw/zinc/17/77/45/601177745.db2.gz SSRAGHMSDWHKCS-FWAPLPHYSA-N -1 3 317.311 2.639 20 0 DFADHM CC[C@H]1CN2CCCC[C@@H]2CN1Cc1cc(C(=O)[O-])oc1C ZINC000829160713 601325121 /nfs/dbraw/zinc/32/51/21/601325121.db2.gz JMOLQSIOHFWFLT-LSDHHAIUSA-N -1 3 306.406 2.735 20 0 DFADHM O=C([O-])CC1(NCc2csc(-c3ccco3)n2)CCOCC1 ZINC000833205957 601364843 /nfs/dbraw/zinc/36/48/43/601364843.db2.gz RVUVUDOVJJQZDY-UHFFFAOYSA-N -1 3 322.386 2.517 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](c2nnc(C)o2)C1 ZINC000830369687 601415941 /nfs/dbraw/zinc/41/59/41/601415941.db2.gz SRIZRQZQXMMBIU-NSHDSACASA-N -1 3 319.361 2.611 20 0 DFADHM CN(Cc1ccc(-n2ccnc2)nc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830811149 601419810 /nfs/dbraw/zinc/41/98/10/601419810.db2.gz OWPBCXKMVMBRQW-KRWDZBQOSA-N -1 3 322.368 2.525 20 0 DFADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccccn2)n1 ZINC000828671436 601431907 /nfs/dbraw/zinc/43/19/07/601431907.db2.gz CTOBNSLVUSZGGK-OAHLLOKOSA-N -1 3 305.403 2.938 20 0 DFADHM COC[C@H]1CCCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000831665853 601451253 /nfs/dbraw/zinc/45/12/53/601451253.db2.gz AIHLVGBRCQDAPT-GFCCVEGCSA-N -1 3 313.781 2.528 20 0 DFADHM CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000829125971 601497819 /nfs/dbraw/zinc/49/78/19/601497819.db2.gz RMEBHZBPTONDCV-QWHCGFSZSA-N -1 3 304.390 2.752 20 0 DFADHM CC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000828664848 601556179 /nfs/dbraw/zinc/55/61/79/601556179.db2.gz JFNJZSRMUVTICD-QGZVFWFLSA-N -1 3 319.357 2.540 20 0 DFADHM C/C(=C/CN(Cc1ccccc1)C[C@H](O)c1ccco1)C(=O)[O-] ZINC000825729969 601611114 /nfs/dbraw/zinc/61/11/14/601611114.db2.gz OQDJUEAYEWJCPD-MBSJSRAVSA-N -1 3 315.369 2.846 20 0 DFADHM CCC(CC)(CC(=O)[O-])NCc1nc(-c2ccc(F)cc2)no1 ZINC000828803834 601634067 /nfs/dbraw/zinc/63/40/67/601634067.db2.gz BLMMBVKBUNDAGS-UHFFFAOYSA-N -1 3 321.352 2.999 20 0 DFADHM O=C([O-])c1ccc(CN2CCC(n3cccn3)CC2)cc1F ZINC000833313440 601634862 /nfs/dbraw/zinc/63/48/62/601634862.db2.gz UOVFSYPVSHIXHX-UHFFFAOYSA-N -1 3 303.337 2.558 20 0 DFADHM C[C@H](CCC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000824400972 607537025 /nfs/dbraw/zinc/53/70/25/607537025.db2.gz NEBHEGIQRJJXED-GFCCVEGCSA-N -1 3 322.372 2.784 20 0 DFADHM C[C@H](CCC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000824400972 607537026 /nfs/dbraw/zinc/53/70/26/607537026.db2.gz NEBHEGIQRJJXED-GFCCVEGCSA-N -1 3 322.372 2.784 20 0 DFADHM COc1ccc(COc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000826207157 607542414 /nfs/dbraw/zinc/54/24/14/607542414.db2.gz CHARUAUFJRNKPT-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(COc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000826207157 607542416 /nfs/dbraw/zinc/54/24/16/607542416.db2.gz CHARUAUFJRNKPT-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cccc(C(C)(C)CNc2ncccc2-c2nnn[n-]2)c1 ZINC000826214343 607543528 /nfs/dbraw/zinc/54/35/28/607543528.db2.gz IUPMGTDIQZZKED-UHFFFAOYSA-N -1 3 324.388 2.660 20 0 DFADHM COc1cccc(C(C)(C)CNc2ncccc2-c2nn[n-]n2)c1 ZINC000826214343 607543531 /nfs/dbraw/zinc/54/35/31/607543531.db2.gz IUPMGTDIQZZKED-UHFFFAOYSA-N -1 3 324.388 2.660 20 0 DFADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825038499 607547748 /nfs/dbraw/zinc/54/77/48/607547748.db2.gz DFKOXYGPAWPXHQ-AWEZNQCLSA-N -1 3 313.405 2.908 20 0 DFADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825038499 607547749 /nfs/dbraw/zinc/54/77/49/607547749.db2.gz DFKOXYGPAWPXHQ-AWEZNQCLSA-N -1 3 313.405 2.908 20 0 DFADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000825039120 607548139 /nfs/dbraw/zinc/54/81/39/607548139.db2.gz MPNGVDXDQUJZDE-LBPRGKRZSA-N -1 3 319.434 2.969 20 0 DFADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000825039120 607548140 /nfs/dbraw/zinc/54/81/40/607548140.db2.gz MPNGVDXDQUJZDE-LBPRGKRZSA-N -1 3 319.434 2.969 20 0 DFADHM COc1ccc(-c2nc(CN[C@H](C(=O)[O-])C(C)(C)C)co2)cc1 ZINC000832129560 602229070 /nfs/dbraw/zinc/22/90/70/602229070.db2.gz CEQULZWAVZSZHU-CQSZACIVSA-N -1 3 318.373 2.939 20 0 DFADHM CCC(CC)[C@@H](CCNc1ccc(-c2nnn[n-]2)nc1)OC ZINC000825095169 607564451 /nfs/dbraw/zinc/56/44/51/607564451.db2.gz FISPEMVFABONGG-CQSZACIVSA-N -1 3 304.398 2.515 20 0 DFADHM CCC(CC)[C@@H](CCNc1ccc(-c2nn[n-]n2)nc1)OC ZINC000825095169 607564453 /nfs/dbraw/zinc/56/44/53/607564453.db2.gz FISPEMVFABONGG-CQSZACIVSA-N -1 3 304.398 2.515 20 0 DFADHM O=C([O-])NCC1(NCc2cc(F)c(F)c(F)c2)CCCC1 ZINC000740612160 602571293 /nfs/dbraw/zinc/57/12/93/602571293.db2.gz IGDYOCGYWQCKFT-UHFFFAOYSA-N -1 3 302.296 2.774 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C1=C(C)CCC1 ZINC000825608656 607576301 /nfs/dbraw/zinc/57/63/01/607576301.db2.gz BFSYZCITLNVIRD-UHFFFAOYSA-N -1 3 314.345 2.671 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C1=C(C)CCC1 ZINC000825608656 607576303 /nfs/dbraw/zinc/57/63/03/607576303.db2.gz BFSYZCITLNVIRD-UHFFFAOYSA-N -1 3 314.345 2.671 20 0 DFADHM COc1ccc(Cl)cc1CN(C)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739907899 602977800 /nfs/dbraw/zinc/97/78/00/602977800.db2.gz SVNZCENOIILROU-LLVKDONJSA-N -1 3 312.797 2.780 20 0 DFADHM COc1ccc(Cl)cc1CN(C)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739907901 602977987 /nfs/dbraw/zinc/97/79/87/602977987.db2.gz SVNZCENOIILROU-NSHDSACASA-N -1 3 312.797 2.780 20 0 DFADHM O=C([O-])NC[C@@H](NCc1csc(Br)c1)C1CC1 ZINC000740612411 603073117 /nfs/dbraw/zinc/07/31/17/603073117.db2.gz JNXCMQHGWTYANA-SECBINFHSA-N -1 3 319.224 2.646 20 0 DFADHM CCc1ccc([C@H](COC)NC[C@H]2CCCN(C(=O)[O-])C2)o1 ZINC000827577814 603164802 /nfs/dbraw/zinc/16/48/02/603164802.db2.gz RAUDJQSYTZTOKU-OCCSQVGLSA-N -1 3 310.394 2.509 20 0 DFADHM CN(Cc1ccc(F)c2cccnc12)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828356383 603486812 /nfs/dbraw/zinc/48/68/12/603486812.db2.gz ZSYUJFAJHANVLO-GFCCVEGCSA-N -1 3 303.337 2.558 20 0 DFADHM CCN(CC1CCN(CCOc2ccccc2F)CC1)C(=O)[O-] ZINC000827100345 603514471 /nfs/dbraw/zinc/51/44/71/603514471.db2.gz YSQFLCFJYFEKJB-UHFFFAOYSA-N -1 3 324.396 2.916 20 0 DFADHM O=C([O-])N1CCc2cccc(CNC[C@H](O)c3ccsc3)c21 ZINC000832086084 603862744 /nfs/dbraw/zinc/86/27/44/603862744.db2.gz 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/nfs/dbraw/zinc/82/16/22/607821622.db2.gz MEUKSXBLACBELF-JTQLQIEISA-N -1 3 307.785 2.890 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CN(C)c1ccccc1F ZINC000826181819 607661511 /nfs/dbraw/zinc/66/15/11/607661511.db2.gz OVGIBVQYSXDCMO-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CN(C)c1ccccc1F ZINC000826181819 607661512 /nfs/dbraw/zinc/66/15/12/607661512.db2.gz OVGIBVQYSXDCMO-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM Cc1cccc2c1CCN2C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826245722 607675477 /nfs/dbraw/zinc/67/54/77/607675477.db2.gz GCFOGJRQBBIKHX-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM Cc1cccc2c1CCN2C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826245722 607675479 /nfs/dbraw/zinc/67/54/79/607675479.db2.gz GCFOGJRQBBIKHX-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM O=C([O-])N(CC1CC1)C1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000831826309 604228717 /nfs/dbraw/zinc/22/87/17/604228717.db2.gz PMJMLYBUDUZAIL-QGZVFWFLSA-N -1 3 318.417 2.574 20 0 DFADHM C[C@@H](NC[C@H]1CCCN1C(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000825491176 604295531 /nfs/dbraw/zinc/29/55/31/604295531.db2.gz XGEURLMMWHPSPK-CZUORRHYSA-N -1 3 314.389 2.665 20 0 DFADHM COc1ccc2c(c1)[C@H](NC[C@@H]1CCCN1C(=O)[O-])CCCO2 ZINC000829515439 604296076 /nfs/dbraw/zinc/29/60/76/604296076.db2.gz IQMIKBSWKXSCHU-SWLSCSKDSA-N -1 3 320.389 2.641 20 0 DFADHM COc1ccc2c(c1)[C@@H](NC[C@H]1CCCN1C(=O)[O-])CCCO2 ZINC000829515435 604296109 /nfs/dbraw/zinc/29/61/09/604296109.db2.gz IQMIKBSWKXSCHU-DOMZBBRYSA-N -1 3 320.389 2.641 20 0 DFADHM C[C@H](N[C@H]1CCN(C(=O)[O-])C1)c1ccc(Br)s1 ZINC000825479087 604316038 /nfs/dbraw/zinc/31/60/38/604316038.db2.gz KMAYDGDUZHUMGU-YUMQZZPRSA-N -1 3 319.224 2.914 20 0 DFADHM C[C@@H](N[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1OC(F)F ZINC000825478038 604316087 /nfs/dbraw/zinc/31/60/87/604316087.db2.gz CSQJIXMPCBWTDQ-NXEZZACHSA-N -1 3 300.305 2.691 20 0 DFADHM C[C@H](N[C@@H]1CCN(C(=O)[O-])C1)c1ccc(Br)s1 ZINC000825479085 604316244 /nfs/dbraw/zinc/31/62/44/604316244.db2.gz KMAYDGDUZHUMGU-JGVFFNPUSA-N -1 3 319.224 2.914 20 0 DFADHM C[C@H](N[C@@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1OC(F)F ZINC000825480260 604319494 /nfs/dbraw/zinc/31/94/94/604319494.db2.gz VHGDALKMMHPLKW-WCBMZHEXSA-N -1 3 318.295 2.830 20 0 DFADHM O=C([O-])NCCN1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000832641893 604366276 /nfs/dbraw/zinc/36/62/76/604366276.db2.gz NCTLFFASYMKXJZ-UHFFFAOYSA-N -1 3 305.353 2.754 20 0 DFADHM Cc1cc([C@@H](C)N2CCC(n3ccnc3)CC2)oc1C(=O)[O-] ZINC000832870487 604384485 /nfs/dbraw/zinc/38/44/85/604384485.db2.gz ITHZWPUSZJZPHI-GFCCVEGCSA-N -1 3 303.362 2.881 20 0 DFADHM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1n[nH]c2ccccc21 ZINC000833193992 604467644 /nfs/dbraw/zinc/46/76/44/604467644.db2.gz WPOMCGQVYQTNFG-KRWDZBQOSA-N -1 3 307.353 2.574 20 0 DFADHM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1[nH]nc2ccccc21 ZINC000833193992 604467647 /nfs/dbraw/zinc/46/76/47/604467647.db2.gz WPOMCGQVYQTNFG-KRWDZBQOSA-N -1 3 307.353 2.574 20 0 DFADHM CC(C)C[C@@H](C)N(C)C(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC000833474256 604480883 /nfs/dbraw/zinc/48/08/83/604480883.db2.gz 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604655252 /nfs/dbraw/zinc/65/52/52/604655252.db2.gz ZXMKXHGRQQBYON-RWMBFGLXSA-N -1 3 309.431 2.864 20 0 DFADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1O ZINC000826290433 607707816 /nfs/dbraw/zinc/70/78/16/607707816.db2.gz MJFVXFKWJPCRCM-CLFYSBASSA-N -1 3 321.340 2.533 20 0 DFADHM Cc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1O ZINC000826290433 607707818 /nfs/dbraw/zinc/70/78/18/607707818.db2.gz MJFVXFKWJPCRCM-CLFYSBASSA-N -1 3 321.340 2.533 20 0 DFADHM CC(C)N(CCC(=O)[O-])CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000826947637 604761651 /nfs/dbraw/zinc/76/16/51/604761651.db2.gz YAPCAXQEPCQCLC-UHFFFAOYSA-N -1 3 307.434 2.957 20 0 DFADHM COc1ccc2c(c1)nccc2N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000829516530 604901487 /nfs/dbraw/zinc/90/14/87/604901487.db2.gz ULDCASOCVNAGMG-RISCZKNCSA-N -1 3 315.373 2.726 20 0 DFADHM C[C@H](NCCN(C)C(=O)[O-])c1ccc(Br)s1 ZINC000825497184 604952375 /nfs/dbraw/zinc/95/23/75/604952375.db2.gz ZLFTXGFRNAHKEL-ZETCQYMHSA-N -1 3 307.213 2.771 20 0 DFADHM O=C([O-])C[C@@H]1CCCN1Cn1ccc(-c2ccc(F)cc2)n1 ZINC000833211885 604976987 /nfs/dbraw/zinc/97/69/87/604976987.db2.gz QAJXABRUJMPFNF-AWEZNQCLSA-N -1 3 303.337 2.586 20 0 DFADHM CCOCCC1(CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825590280 607729742 /nfs/dbraw/zinc/72/97/42/607729742.db2.gz SFJNNDPKASPORV-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM CCOCCC1(CNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825590280 607729743 /nfs/dbraw/zinc/72/97/43/607729743.db2.gz SFJNNDPKASPORV-UHFFFAOYSA-N -1 3 305.357 2.625 20 0 DFADHM CCN(CC1CC1)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833654341 605045565 /nfs/dbraw/zinc/04/55/65/605045565.db2.gz LSKUVOUDSTWGMZ-LBPRGKRZSA-N -1 3 304.390 2.752 20 0 DFADHM Cc1nn(C)cc1[C@@H](C)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830864403 605119825 /nfs/dbraw/zinc/11/98/25/605119825.db2.gz FCDMJYLPLGDZPH-NWDGAFQWSA-N -1 3 316.405 2.908 20 0 DFADHM CC[C@H](C)[C@H](C)[NH2+]Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[n-]1 ZINC000833636990 605217678 /nfs/dbraw/zinc/21/76/78/605217678.db2.gz ABIFGJLSOKZCCU-CBAPKCEASA-N -1 3 323.418 2.515 20 0 DFADHM CC(C)(O)CN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC000833464340 605253868 /nfs/dbraw/zinc/25/38/68/605253868.db2.gz ZYFTYTUYWJGPPH-UHFFFAOYSA-N -1 3 303.358 2.751 20 0 DFADHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000833812581 605345525 /nfs/dbraw/zinc/34/55/25/605345525.db2.gz KGSDLQKUHFCZEE-OCCSQVGLSA-N -1 3 322.380 2.767 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2CCCC[C@H]2c2cccn2C)O1 ZINC000833583521 605348143 /nfs/dbraw/zinc/34/81/43/605348143.db2.gz IMSRETPTHNTODF-CJNGLKHVSA-N -1 3 304.390 2.700 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3nc4ccccc4o3)C[C@@H]21 ZINC000834183376 605451383 /nfs/dbraw/zinc/45/13/83/605451383.db2.gz PCIFJGGCAIBODY-FRRDWIJNSA-N -1 3 315.373 2.696 20 0 DFADHM O=C([O-])N1CCC(N(Cc2cccc3c2OCO3)C2CC2)CC1 ZINC000834081777 605489502 /nfs/dbraw/zinc/48/95/02/605489502.db2.gz AFNVPENHSAPKRJ-UHFFFAOYSA-N -1 3 318.373 2.522 20 0 DFADHM O=C([O-])NC[C@H]1CCC[C@@H]1NCc1coc(-c2cccs2)n1 ZINC000834215093 605591517 /nfs/dbraw/zinc/59/15/17/605591517.db2.gz OVVGSWDJMIQXSI-PWSUYJOCSA-N -1 3 321.402 2.929 20 0 DFADHM CCOc1cc(CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)ccc1OC ZINC000833862548 605591961 /nfs/dbraw/zinc/59/19/61/605591961.db2.gz ZIUHVRQCBPMHDT-JSGCOSHPSA-N -1 3 322.405 2.572 20 0 DFADHM O=C([O-])NC[C@@H]1CCCC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000834221838 605644581 /nfs/dbraw/zinc/64/45/81/605644581.db2.gz LQKOKYBAMBGCMU-RYUDHWBXSA-N -1 3 309.435 2.937 20 0 DFADHM O=C([O-])N[C@H]1C[C@H](NCc2ccccc2CO)c2ccccc21 ZINC000834157141 605794563 /nfs/dbraw/zinc/79/45/63/605794563.db2.gz GMDGQDBEBXDYHM-IRXDYDNUSA-N -1 3 312.369 2.722 20 0 DFADHM Cc1cccnc1CN1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000833910152 605805124 /nfs/dbraw/zinc/80/51/24/605805124.db2.gz HMUVIMRDVAQZNG-INIZCTEOSA-N -1 3 303.406 2.744 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@@H]1NCc1csc(Br)c1 ZINC000834173453 605985954 /nfs/dbraw/zinc/98/59/54/605985954.db2.gz FMQQXMMCVSAOJY-DTWKUNHWSA-N -1 3 319.224 2.789 20 0 DFADHM c1ccc(C2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000823779679 606036577 /nfs/dbraw/zinc/03/65/77/606036577.db2.gz GWAUGUPVTQOEJA-UHFFFAOYSA-N -1 3 306.373 2.646 20 0 DFADHM c1ccc(C2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000823779679 606036582 /nfs/dbraw/zinc/03/65/82/606036582.db2.gz GWAUGUPVTQOEJA-UHFFFAOYSA-N -1 3 306.373 2.646 20 0 DFADHM CCO[C@H](CCNc1ccc(F)cc1-c1nnn[n-]1)C(C)C ZINC000821351162 606040321 /nfs/dbraw/zinc/04/03/21/606040321.db2.gz MHPUJLSPPOVQLU-CQSZACIVSA-N -1 3 307.373 2.869 20 0 DFADHM CCO[C@H](CCNc1ccc(F)cc1-c1nn[n-]n1)C(C)C ZINC000821351162 606040325 /nfs/dbraw/zinc/04/03/25/606040325.db2.gz MHPUJLSPPOVQLU-CQSZACIVSA-N -1 3 307.373 2.869 20 0 DFADHM COc1ccc(F)cc1[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821828374 606050426 /nfs/dbraw/zinc/05/04/26/606050426.db2.gz ULAKBENIRGIXPJ-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM COc1ccc(F)cc1[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821828374 606050432 /nfs/dbraw/zinc/05/04/32/606050432.db2.gz ULAKBENIRGIXPJ-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM CN(CCCCNc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000821599391 606054607 /nfs/dbraw/zinc/05/46/07/606054607.db2.gz RETOCTFOWDRIGT-UHFFFAOYSA-N -1 3 323.404 2.590 20 0 DFADHM CN(CCCCNc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000821599391 606054613 /nfs/dbraw/zinc/05/46/13/606054613.db2.gz RETOCTFOWDRIGT-UHFFFAOYSA-N -1 3 323.404 2.590 20 0 DFADHM c1ccc(C[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000823779396 606080590 /nfs/dbraw/zinc/08/05/90/606080590.db2.gz BZSGIFUVRDVZDP-OAHLLOKOSA-N -1 3 320.400 2.721 20 0 DFADHM c1ccc(C[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000823779396 606080596 /nfs/dbraw/zinc/08/05/96/606080596.db2.gz BZSGIFUVRDVZDP-OAHLLOKOSA-N -1 3 320.400 2.721 20 0 DFADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)Sc1ccccc1 ZINC000820280780 606094771 /nfs/dbraw/zinc/09/47/71/606094771.db2.gz OKFPXYRBIXNKCN-NSHDSACASA-N -1 3 312.402 2.854 20 0 DFADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)Sc1ccccc1 ZINC000820280780 606094775 /nfs/dbraw/zinc/09/47/75/606094775.db2.gz OKFPXYRBIXNKCN-NSHDSACASA-N -1 3 312.402 2.854 20 0 DFADHM COC1CCC(CNc2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821679982 606103444 /nfs/dbraw/zinc/10/34/44/606103444.db2.gz VGIXRSHXSAWRTL-UHFFFAOYSA-N -1 3 323.347 2.762 20 0 DFADHM COC1CCC(CNc2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821679982 606103446 /nfs/dbraw/zinc/10/34/46/606103446.db2.gz VGIXRSHXSAWRTL-UHFFFAOYSA-N -1 3 323.347 2.762 20 0 DFADHM Cc1cnc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000822389364 606104173 /nfs/dbraw/zinc/10/41/73/606104173.db2.gz TWWQSTMCEGGYAY-QMMMGPOBSA-N -1 3 304.354 2.944 20 0 DFADHM Cc1cnc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000822389364 606104175 /nfs/dbraw/zinc/10/41/75/606104175.db2.gz TWWQSTMCEGGYAY-QMMMGPOBSA-N -1 3 304.354 2.944 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC000820742325 606115002 /nfs/dbraw/zinc/11/50/02/606115002.db2.gz JKYBXUSYCTYFHG-JTQLQIEISA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC000820742325 606115003 /nfs/dbraw/zinc/11/50/03/606115003.db2.gz JKYBXUSYCTYFHG-JTQLQIEISA-N -1 3 300.366 2.519 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(NCCc2cscn2)c1 ZINC000822568693 606126893 /nfs/dbraw/zinc/12/68/93/606126893.db2.gz WKSFNWKXTRZXCF-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(NCCc2cscn2)c1 ZINC000822568693 606126894 /nfs/dbraw/zinc/12/68/94/606126894.db2.gz WKSFNWKXTRZXCF-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCC1CCCCC1 ZINC000823108118 606143056 /nfs/dbraw/zinc/14/30/56/606143056.db2.gz KGGXEBXPIIUDRE-UHFFFAOYSA-N -1 3 300.362 2.533 20 0 DFADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCC1CCCCC1 ZINC000823108118 606143057 /nfs/dbraw/zinc/14/30/57/606143057.db2.gz KGGXEBXPIIUDRE-UHFFFAOYSA-N -1 3 300.362 2.533 20 0 DFADHM CN(C(=O)[C@@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569424 606148481 /nfs/dbraw/zinc/14/84/81/606148481.db2.gz JUYFHWASORJUPQ-NSHDSACASA-N -1 3 315.352 2.549 20 0 DFADHM CN(C(=O)[C@@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569424 606148483 /nfs/dbraw/zinc/14/84/83/606148483.db2.gz JUYFHWASORJUPQ-NSHDSACASA-N -1 3 315.352 2.549 20 0 DFADHM C[C@@H](NC(=O)[C@@H]1CC12CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820323057 606149352 /nfs/dbraw/zinc/14/93/52/606149352.db2.gz WUENOMLRMBYBGV-RISCZKNCSA-N -1 3 311.389 2.624 20 0 DFADHM C[C@@H](NC(=O)[C@@H]1CC12CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820323057 606149354 /nfs/dbraw/zinc/14/93/54/606149354.db2.gz WUENOMLRMBYBGV-RISCZKNCSA-N -1 3 311.389 2.624 20 0 DFADHM CO[C@H](C)c1nc(COc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821675011 606170773 /nfs/dbraw/zinc/17/07/73/606170773.db2.gz BCYJAHBQIGEYDU-SECBINFHSA-N -1 3 317.374 2.610 20 0 DFADHM CO[C@H](C)c1nc(COc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821675011 606170774 /nfs/dbraw/zinc/17/07/74/606170774.db2.gz BCYJAHBQIGEYDU-SECBINFHSA-N -1 3 317.374 2.610 20 0 DFADHM CO[C@@H](C)c1nc(COc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821675012 606171112 /nfs/dbraw/zinc/17/11/12/606171112.db2.gz BCYJAHBQIGEYDU-VIFPVBQESA-N -1 3 317.374 2.610 20 0 DFADHM CO[C@@H](C)c1nc(COc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821675012 606171114 /nfs/dbraw/zinc/17/11/14/606171114.db2.gz BCYJAHBQIGEYDU-VIFPVBQESA-N -1 3 317.374 2.610 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)=C(C)C ZINC000821099607 606201710 /nfs/dbraw/zinc/20/17/10/606201710.db2.gz KXXTVMZLWIHSMO-UHFFFAOYSA-N -1 3 313.405 2.962 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)=C(C)C ZINC000821099607 606201712 /nfs/dbraw/zinc/20/17/12/606201712.db2.gz KXXTVMZLWIHSMO-UHFFFAOYSA-N -1 3 313.405 2.962 20 0 DFADHM COc1ccc(NCc2cc(-c3nnn[n-]3)cs2)c(OC)c1 ZINC000821835414 606211945 /nfs/dbraw/zinc/21/19/45/606211945.db2.gz KIHLNWRHEZJYEI-UHFFFAOYSA-N -1 3 317.374 2.558 20 0 DFADHM COc1ccc(NCc2cc(-c3nn[n-]n3)cs2)c(OC)c1 ZINC000821835414 606211948 /nfs/dbraw/zinc/21/19/48/606211948.db2.gz KIHLNWRHEZJYEI-UHFFFAOYSA-N -1 3 317.374 2.558 20 0 DFADHM CC[C@@](C)(NCc1cc(-c2nnn[n-]2)cs1)c1nccs1 ZINC000820854005 606221241 /nfs/dbraw/zinc/22/12/41/606221241.db2.gz QJPSTWKVPICVDE-CYBMUJFWSA-N -1 3 320.447 2.800 20 0 DFADHM CC[C@@](C)(NCc1cc(-c2nn[n-]n2)cs1)c1nccs1 ZINC000820854005 606221243 /nfs/dbraw/zinc/22/12/43/606221243.db2.gz QJPSTWKVPICVDE-CYBMUJFWSA-N -1 3 320.447 2.800 20 0 DFADHM CCCN(CC)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821094978 606240032 /nfs/dbraw/zinc/24/00/32/606240032.db2.gz VVJQLKNDEWQSQY-UHFFFAOYSA-N -1 3 300.288 2.517 20 0 DFADHM CCCN(CC)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821094978 606240033 /nfs/dbraw/zinc/24/00/33/606240033.db2.gz VVJQLKNDEWQSQY-UHFFFAOYSA-N -1 3 300.288 2.517 20 0 DFADHM C[C@@]1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CCCC[C@@H]1O ZINC000820623153 606243119 /nfs/dbraw/zinc/24/31/19/606243119.db2.gz GTCHOGOJRUYXQF-ZFWWWQNUSA-N -1 3 321.812 2.873 20 0 DFADHM C[C@@]1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000820623153 606243121 /nfs/dbraw/zinc/24/31/21/606243121.db2.gz GTCHOGOJRUYXQF-ZFWWWQNUSA-N -1 3 321.812 2.873 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c1-c1nnn[n-]1 ZINC000821465050 606244972 /nfs/dbraw/zinc/24/49/72/606244972.db2.gz AKRJJJSEQDVQEB-GHMZBOCLSA-N -1 3 317.418 2.784 20 0 DFADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC000821465050 606244973 /nfs/dbraw/zinc/24/49/73/606244973.db2.gz AKRJJJSEQDVQEB-GHMZBOCLSA-N -1 3 317.418 2.784 20 0 DFADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819906089 606253946 /nfs/dbraw/zinc/25/39/46/606253946.db2.gz CKVGKLMBUUXXAS-RYUDHWBXSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819906089 606253947 /nfs/dbraw/zinc/25/39/47/606253947.db2.gz CKVGKLMBUUXXAS-RYUDHWBXSA-N -1 3 316.409 2.530 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820691189 606266514 /nfs/dbraw/zinc/26/65/14/606266514.db2.gz WIZUDEYHXLYLAM-NXEZZACHSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820691189 606266517 /nfs/dbraw/zinc/26/65/17/606266517.db2.gz WIZUDEYHXLYLAM-NXEZZACHSA-N -1 3 303.341 2.771 20 0 DFADHM CCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCCC1 ZINC000821020527 606269029 /nfs/dbraw/zinc/26/90/29/606269029.db2.gz CVIFSZXHUURXAK-CYBMUJFWSA-N -1 3 316.409 2.674 20 0 DFADHM CCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCCC1 ZINC000821020527 606269031 /nfs/dbraw/zinc/26/90/31/606269031.db2.gz CVIFSZXHUURXAK-CYBMUJFWSA-N -1 3 316.409 2.674 20 0 DFADHM CC(C)CCSCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820081332 606270034 /nfs/dbraw/zinc/27/00/34/606270034.db2.gz CALQKJAEHFPMFJ-UHFFFAOYSA-N -1 3 323.397 2.724 20 0 DFADHM CC(C)CCSCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820081332 606270036 /nfs/dbraw/zinc/27/00/36/606270036.db2.gz CALQKJAEHFPMFJ-UHFFFAOYSA-N -1 3 323.397 2.724 20 0 DFADHM Cc1cc(C)cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822196218 606270700 /nfs/dbraw/zinc/27/07/00/606270700.db2.gz AGFHAOJPDLUSCD-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cc(C)cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822196218 606270702 /nfs/dbraw/zinc/27/07/02/606270702.db2.gz AGFHAOJPDLUSCD-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CCN(C(=O)/C=C\SC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147874 606310642 /nfs/dbraw/zinc/31/06/42/606310642.db2.gz KJBMDKNEARLUAO-JUDLJHIGSA-N -1 3 317.418 2.653 20 0 DFADHM CCN(C(=O)/C=C\SC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147874 606310643 /nfs/dbraw/zinc/31/06/43/606310643.db2.gz KJBMDKNEARLUAO-JUDLJHIGSA-N -1 3 317.418 2.653 20 0 DFADHM CC[C@@](C)(NCc1ccc(F)cc1-c1nnn[n-]1)C(F)(F)F ZINC000820854471 606330648 /nfs/dbraw/zinc/33/06/48/606330648.db2.gz VLWDVQNXGZIRMV-GFCCVEGCSA-N -1 3 317.290 2.826 20 0 DFADHM CC[C@@](C)(NCc1ccc(F)cc1-c1nn[n-]n1)C(F)(F)F ZINC000820854471 606330649 /nfs/dbraw/zinc/33/06/49/606330649.db2.gz VLWDVQNXGZIRMV-GFCCVEGCSA-N -1 3 317.290 2.826 20 0 DFADHM CC[C@@H](C)CN(CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820870180 606333894 /nfs/dbraw/zinc/33/38/94/606333894.db2.gz OLRVAXXPQFDDQS-LLVKDONJSA-N -1 3 302.382 2.767 20 0 DFADHM CC[C@@H](C)CN(CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820870180 606333895 /nfs/dbraw/zinc/33/38/95/606333895.db2.gz OLRVAXXPQFDDQS-LLVKDONJSA-N -1 3 302.382 2.767 20 0 DFADHM C[C@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(C)(C)C ZINC000820268352 606345003 /nfs/dbraw/zinc/34/50/03/606345003.db2.gz ABOQPDGUMFCIOL-SECBINFHSA-N -1 3 320.372 2.810 20 0 DFADHM C[C@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(C)(C)C ZINC000820268352 606345005 /nfs/dbraw/zinc/34/50/05/606345005.db2.gz ABOQPDGUMFCIOL-SECBINFHSA-N -1 3 320.372 2.810 20 0 DFADHM Cc1cccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1O ZINC000822284171 606346903 /nfs/dbraw/zinc/34/69/03/606346903.db2.gz LEHJUHOAPTZUPX-LLVKDONJSA-N -1 3 324.340 2.799 20 0 DFADHM Cc1cccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000822284171 606346905 /nfs/dbraw/zinc/34/69/05/606346905.db2.gz LEHJUHOAPTZUPX-LLVKDONJSA-N -1 3 324.340 2.799 20 0 DFADHM C[C@H](OC(=O)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820511904 606349568 /nfs/dbraw/zinc/34/95/68/606349568.db2.gz FENUQDPLLXJFFN-JTQLQIEISA-N -1 3 312.304 2.924 20 0 DFADHM C[C@H](OC(=O)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820511904 606349570 /nfs/dbraw/zinc/34/95/70/606349570.db2.gz FENUQDPLLXJFFN-JTQLQIEISA-N -1 3 312.304 2.924 20 0 DFADHM C[C@H](OC(=O)[C@H]1Cc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487490 606354237 /nfs/dbraw/zinc/35/42/37/606354237.db2.gz HIGFCSBWVJUVIV-ZBEGNZNMSA-N -1 3 320.352 2.811 20 0 DFADHM C[C@H](OC(=O)[C@H]1Cc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487490 606354239 /nfs/dbraw/zinc/35/42/39/606354239.db2.gz HIGFCSBWVJUVIV-ZBEGNZNMSA-N -1 3 320.352 2.811 20 0 DFADHM CCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820837060 606361097 /nfs/dbraw/zinc/36/10/97/606361097.db2.gz GYUFYNDIUSTDNA-UHFFFAOYSA-N -1 3 310.313 2.974 20 0 DFADHM CCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820837060 606361098 /nfs/dbraw/zinc/36/10/98/606361098.db2.gz GYUFYNDIUSTDNA-UHFFFAOYSA-N -1 3 310.313 2.974 20 0 DFADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820650885 606364004 /nfs/dbraw/zinc/36/40/04/606364004.db2.gz YBMYRUAFYLAZPP-SMDDNHRTSA-N -1 3 313.405 2.811 20 0 DFADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820650885 606364006 /nfs/dbraw/zinc/36/40/06/606364006.db2.gz YBMYRUAFYLAZPP-SMDDNHRTSA-N -1 3 313.405 2.811 20 0 DFADHM CCCCCC[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821049540 606407636 /nfs/dbraw/zinc/40/76/36/606407636.db2.gz KWGACZOVNDNVLH-NSHDSACASA-N -1 3 305.382 2.721 20 0 DFADHM CCCCCC[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821049540 606407638 /nfs/dbraw/zinc/40/76/38/606407638.db2.gz KWGACZOVNDNVLH-NSHDSACASA-N -1 3 305.382 2.721 20 0 DFADHM CCC[C@@H]1C[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821040913 606420151 /nfs/dbraw/zinc/42/01/51/606420151.db2.gz VDNWIIBDGKEZGJ-VXNVDRBHSA-N -1 3 312.299 2.881 20 0 DFADHM CCC[C@@H]1C[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821040913 606420152 /nfs/dbraw/zinc/42/01/52/606420152.db2.gz VDNWIIBDGKEZGJ-VXNVDRBHSA-N -1 3 312.299 2.881 20 0 DFADHM Cc1ccsc1[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000822379787 606426501 /nfs/dbraw/zinc/42/65/01/606426501.db2.gz UHQNYSQDNPOXOX-NSHDSACASA-N -1 3 319.365 2.521 20 0 DFADHM Cc1ccsc1[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000822379787 606426503 /nfs/dbraw/zinc/42/65/03/606426503.db2.gz UHQNYSQDNPOXOX-NSHDSACASA-N -1 3 319.365 2.521 20 0 DFADHM CO[C@H](C)c1nc(CNc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821675585 606429342 /nfs/dbraw/zinc/42/93/42/606429342.db2.gz OUTWENPZZJJHGU-SECBINFHSA-N -1 3 316.390 2.643 20 0 DFADHM Fc1ccc(C2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000822766411 606433012 /nfs/dbraw/zinc/43/30/12/606433012.db2.gz ITSMLSPGTRHXNK-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1ccc(C2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000822766411 606433014 /nfs/dbraw/zinc/43/30/14/606433014.db2.gz ITSMLSPGTRHXNK-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1ccc(N2CCC[C@H]2c2cccnc2)c(-c2nnn[n-]2)c1 ZINC000822778098 606445825 /nfs/dbraw/zinc/44/58/25/606445825.db2.gz CZNRQANWKZURJS-AWEZNQCLSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1ccc(N2CCC[C@H]2c2cccnc2)c(-c2nn[n-]n2)c1 ZINC000822778098 606445827 /nfs/dbraw/zinc/44/58/27/606445827.db2.gz CZNRQANWKZURJS-AWEZNQCLSA-N -1 3 310.336 2.742 20 0 DFADHM CC(C)[C@@H]1OCC[C@H]1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820047366 606473814 /nfs/dbraw/zinc/47/38/14/606473814.db2.gz YDONBSCBPXAAJN-HZMBPMFUSA-N -1 3 321.812 2.993 20 0 DFADHM CC(C)[C@@H]1OCC[C@H]1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820047366 606473815 /nfs/dbraw/zinc/47/38/15/606473815.db2.gz YDONBSCBPXAAJN-HZMBPMFUSA-N -1 3 321.812 2.993 20 0 DFADHM CC(C)[C@H]1OCC[C@@H]1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820047368 606473981 /nfs/dbraw/zinc/47/39/81/606473981.db2.gz YDONBSCBPXAAJN-QMTHXVAHSA-N -1 3 321.812 2.993 20 0 DFADHM CC(C)[C@H]1OCC[C@@H]1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820047368 606473984 /nfs/dbraw/zinc/47/39/84/606473984.db2.gz YDONBSCBPXAAJN-QMTHXVAHSA-N -1 3 321.812 2.993 20 0 DFADHM c1ccc(C[C@@H]2CCCCN2c2ncccc2-c2nnn[n-]2)cc1 ZINC000823780361 606476803 /nfs/dbraw/zinc/47/68/03/606476803.db2.gz RRUVXYZXZZHOCX-HNNXBMFYSA-N -1 3 320.400 2.863 20 0 DFADHM 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ZINC000820192333 606808728 /nfs/dbraw/zinc/80/87/28/606808728.db2.gz KDSWSCSRYFNQBG-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM Fc1ccc(CCN(c2ccc(-c3nnn[n-]3)cn2)C2CC2)cc1 ZINC000822766465 606835430 /nfs/dbraw/zinc/83/54/30/606835430.db2.gz JVXHHUAMHBDKEB-UHFFFAOYSA-N -1 3 324.363 2.612 20 0 DFADHM Fc1ccc(CCN(c2ccc(-c3nn[n-]n3)cn2)C2CC2)cc1 ZINC000822766465 606835432 /nfs/dbraw/zinc/83/54/32/606835432.db2.gz JVXHHUAMHBDKEB-UHFFFAOYSA-N -1 3 324.363 2.612 20 0 DFADHM O[C@@H](CSCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823699245 606846679 /nfs/dbraw/zinc/84/66/79/606846679.db2.gz UHKJWRYBVHLGMW-HNNXBMFYSA-N -1 3 312.398 2.834 20 0 DFADHM O[C@@H](CSCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823699245 606846680 /nfs/dbraw/zinc/84/66/80/606846680.db2.gz UHKJWRYBVHLGMW-HNNXBMFYSA-N -1 3 312.398 2.834 20 0 DFADHM Fc1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822796784 606862564 /nfs/dbraw/zinc/86/25/64/606862564.db2.gz YOWZXEOHAVRPHM-UHFFFAOYSA-N -1 3 313.336 2.887 20 0 DFADHM Fc1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822796784 606862566 /nfs/dbraw/zinc/86/25/66/606862566.db2.gz YOWZXEOHAVRPHM-UHFFFAOYSA-N -1 3 313.336 2.887 20 0 DFADHM C[C@@H](NC(=O)N1[C@H](C)CC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339859 606870580 /nfs/dbraw/zinc/87/05/80/606870580.db2.gz HNTZCNBFNLUZTL-GRYCIOLGSA-N -1 3 314.393 2.510 20 0 DFADHM C[C@@H](NC(=O)N1[C@H](C)CC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339859 606870582 /nfs/dbraw/zinc/87/05/82/606870582.db2.gz HNTZCNBFNLUZTL-GRYCIOLGSA-N -1 3 314.393 2.510 20 0 DFADHM CCC[C@H]1CCCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000821041003 606872535 /nfs/dbraw/zinc/87/25/35/606872535.db2.gz XDAYTHPMHGJDDC-JTQLQIEISA-N -1 3 305.407 2.581 20 0 DFADHM CCC[C@H]1CCCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000821041003 606872537 /nfs/dbraw/zinc/87/25/37/606872537.db2.gz XDAYTHPMHGJDDC-JTQLQIEISA-N -1 3 305.407 2.581 20 0 DFADHM CC1(C)CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820594591 606873942 /nfs/dbraw/zinc/87/39/42/606873942.db2.gz ATBNPUMARYFBPU-LLVKDONJSA-N -1 3 305.407 2.627 20 0 DFADHM CC1(C)CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820594591 606873944 /nfs/dbraw/zinc/87/39/44/606873944.db2.gz ATBNPUMARYFBPU-LLVKDONJSA-N -1 3 305.407 2.627 20 0 DFADHM CCCC[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821039859 606924493 /nfs/dbraw/zinc/92/44/93/606924493.db2.gz HUNMGHLZYUQNIB-NWDGAFQWSA-N -1 3 318.377 2.756 20 0 DFADHM CCCC[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821039859 606924494 /nfs/dbraw/zinc/92/44/94/606924494.db2.gz HUNMGHLZYUQNIB-NWDGAFQWSA-N -1 3 318.377 2.756 20 0 DFADHM CCCC[C@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821039213 606926434 /nfs/dbraw/zinc/92/64/34/606926434.db2.gz BEMZCZPBDBGTDM-LBPRGKRZSA-N -1 3 302.378 2.921 20 0 DFADHM CCCC[C@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821039213 606926436 /nfs/dbraw/zinc/92/64/36/606926436.db2.gz BEMZCZPBDBGTDM-LBPRGKRZSA-N -1 3 302.378 2.921 20 0 DFADHM COc1ccc(C)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821783189 606926553 /nfs/dbraw/zinc/92/65/53/606926553.db2.gz ZEUAULGBVQHVOK-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(C)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821783189 606926555 /nfs/dbraw/zinc/92/65/55/606926555.db2.gz ZEUAULGBVQHVOK-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000821835735 606927692 /nfs/dbraw/zinc/92/76/92/606927692.db2.gz QLYKIKLKTHTBNJ-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000821835735 606927694 /nfs/dbraw/zinc/92/76/94/606927694.db2.gz QLYKIKLKTHTBNJ-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CC(C)(C)c1nnc(CNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819971539 606945784 /nfs/dbraw/zinc/94/57/84/606945784.db2.gz OATJRZNPIBEFIC-UHFFFAOYSA-N -1 3 315.406 2.628 20 0 DFADHM CCC[C@@H](C)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821015682 606946616 /nfs/dbraw/zinc/94/66/16/606946616.db2.gz SDWVTYYEJIDQHX-GFCCVEGCSA-N -1 3 318.377 2.615 20 0 DFADHM CCC[C@@H](C)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821015682 606946618 /nfs/dbraw/zinc/94/66/18/606946618.db2.gz SDWVTYYEJIDQHX-GFCCVEGCSA-N -1 3 318.377 2.615 20 0 DFADHM O=C(C=C1CCCC1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822924073 606997163 /nfs/dbraw/zinc/99/71/63/606997163.db2.gz WOGBAZOMSVWDPD-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM O=C(C=C1CCCC1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822924073 606997164 /nfs/dbraw/zinc/99/71/64/606997164.db2.gz WOGBAZOMSVWDPD-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM C[C@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC000819884184 606999623 /nfs/dbraw/zinc/99/96/23/606999623.db2.gz SXIKSYWNCFHAQJ-SECBINFHSA-N -1 3 306.341 2.731 20 0 DFADHM C[C@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819884184 606999625 /nfs/dbraw/zinc/99/96/25/606999625.db2.gz SXIKSYWNCFHAQJ-SECBINFHSA-N -1 3 306.341 2.731 20 0 DFADHM CC(C)(C)/C=C\C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819906044 606999860 /nfs/dbraw/zinc/99/98/60/606999860.db2.gz BFCUQWBLVOYDIO-SREVYHEPSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)(C)/C=C\C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819906044 606999862 /nfs/dbraw/zinc/99/98/62/606999862.db2.gz BFCUQWBLVOYDIO-SREVYHEPSA-N -1 3 304.325 2.651 20 0 DFADHM O=C(OCSc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823414525 607010917 /nfs/dbraw/zinc/01/09/17/607010917.db2.gz YUPJDPSVZRAHQW-UHFFFAOYSA-N -1 3 312.354 2.773 20 0 DFADHM O=C(OCSc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823414525 607010919 /nfs/dbraw/zinc/01/09/19/607010919.db2.gz YUPJDPSVZRAHQW-UHFFFAOYSA-N -1 3 312.354 2.773 20 0 DFADHM CC(C)CCNC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000820076563 607011793 /nfs/dbraw/zinc/01/17/93/607011793.db2.gz MSJPIDPWXRNTGZ-LLVKDONJSA-N -1 3 319.434 2.510 20 0 DFADHM CC(C)CCNC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000820076563 607011794 /nfs/dbraw/zinc/01/17/94/607011794.db2.gz MSJPIDPWXRNTGZ-LLVKDONJSA-N -1 3 319.434 2.510 20 0 DFADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000820555585 607013397 /nfs/dbraw/zinc/01/33/97/607013397.db2.gz NEXMFULPDJNNAB-SECBINFHSA-N -1 3 306.391 2.689 20 0 DFADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000820555585 607013399 /nfs/dbraw/zinc/01/33/99/607013399.db2.gz NEXMFULPDJNNAB-SECBINFHSA-N -1 3 306.391 2.689 20 0 DFADHM COC(=O)c1coc(CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821671361 607015120 /nfs/dbraw/zinc/01/51/20/607015120.db2.gz SROPOZRHTSPJTH-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM COC(=O)c1coc(CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821671361 607015121 /nfs/dbraw/zinc/01/51/21/607015121.db2.gz SROPOZRHTSPJTH-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM CC(C)n1ccc(CSc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820215637 607016281 /nfs/dbraw/zinc/01/62/81/607016281.db2.gz YABUORRIZHIORE-UHFFFAOYSA-N -1 3 300.391 2.936 20 0 DFADHM CC(C)n1ccc(CSc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820215637 607016283 /nfs/dbraw/zinc/01/62/83/607016283.db2.gz YABUORRIZHIORE-UHFFFAOYSA-N -1 3 300.391 2.936 20 0 DFADHM CC=C(C=CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)CC ZINC000820832823 607021220 /nfs/dbraw/zinc/02/12/20/607021220.db2.gz OHNAGPHAXWLRCK-ZVBUZHGDSA-N -1 3 301.325 2.857 20 0 DFADHM CC=C(C=CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)CC ZINC000820832823 607021222 /nfs/dbraw/zinc/02/12/22/607021222.db2.gz OHNAGPHAXWLRCK-ZVBUZHGDSA-N -1 3 301.325 2.857 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OCCOc1cccc(F)c1 ZINC000822221318 607029320 /nfs/dbraw/zinc/02/93/20/607029320.db2.gz KBBHIMQRJRGIPL-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OCCOc1cccc(F)c1 ZINC000822221318 607029322 /nfs/dbraw/zinc/02/93/22/607029322.db2.gz KBBHIMQRJRGIPL-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccc2c(c1)OCCO2 ZINC000822221341 607029824 /nfs/dbraw/zinc/02/98/24/607029824.db2.gz KYXRHKJDWOSOBP-UHFFFAOYSA-N -1 3 324.340 2.525 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1ccc2c(c1)OCCO2 ZINC000822221341 607029825 /nfs/dbraw/zinc/02/98/25/607029825.db2.gz KYXRHKJDWOSOBP-UHFFFAOYSA-N -1 3 324.340 2.525 20 0 DFADHM Clc1ccc(N2CCOC3(CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822578066 607031716 /nfs/dbraw/zinc/03/17/16/607031716.db2.gz BOXJENATLYLWMQ-UHFFFAOYSA-N -1 3 319.796 2.670 20 0 DFADHM Clc1ccc(N2CCOC3(CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822578066 607031719 /nfs/dbraw/zinc/03/17/19/607031719.db2.gz BOXJENATLYLWMQ-UHFFFAOYSA-N -1 3 319.796 2.670 20 0 DFADHM Fc1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)c(F)c1 ZINC000822782704 607038495 /nfs/dbraw/zinc/03/84/95/607038495.db2.gz BNTFJPFZUDIQIB-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(OCc2cc(F)ccc2-c2nn[n-]n2)c(F)c1 ZINC000822782704 607038498 /nfs/dbraw/zinc/03/84/98/607038498.db2.gz BNTFJPFZUDIQIB-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CC1(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)CCCC1 ZINC000820577081 607075590 /nfs/dbraw/zinc/07/55/90/607075590.db2.gz JDWNJKZMCPTLBF-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CC1(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)CCCC1 ZINC000820577081 607075592 /nfs/dbraw/zinc/07/55/92/607075592.db2.gz JDWNJKZMCPTLBF-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(CC1=CCCCC1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822940759 607082599 /nfs/dbraw/zinc/08/25/99/607082599.db2.gz DBWDMKBERJJMNT-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM O=C(CC1=CCCCC1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822940759 607082601 /nfs/dbraw/zinc/08/26/01/607082601.db2.gz DBWDMKBERJJMNT-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM CCC1(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)CCC1 ZINC000820950551 607085379 /nfs/dbraw/zinc/08/53/79/607085379.db2.gz PDHXTSANDWFCCM-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCC1(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)CCC1 ZINC000820950551 607085381 /nfs/dbraw/zinc/08/53/81/607085381.db2.gz PDHXTSANDWFCCM-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(CCC1CCC1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822950565 607086337 /nfs/dbraw/zinc/08/63/37/607086337.db2.gz SWPNXFPDOFEDKQ-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(CCC1CCC1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822950565 607086339 /nfs/dbraw/zinc/08/63/39/607086339.db2.gz SWPNXFPDOFEDKQ-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2ccccc2-c2nnn[n-]2)C1 ZINC000820684577 607090295 /nfs/dbraw/zinc/09/02/95/607090295.db2.gz RJXAVMBIFUMNKM-NEPJUHHUSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2ccccc2-c2nn[n-]n2)C1 ZINC000820684577 607090297 /nfs/dbraw/zinc/09/02/97/607090297.db2.gz RJXAVMBIFUMNKM-NEPJUHHUSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820684575 607090449 /nfs/dbraw/zinc/09/04/49/607090449.db2.gz RIRSYSHWNRVANO-RYUDHWBXSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820684575 607090450 /nfs/dbraw/zinc/09/04/50/607090450.db2.gz RIRSYSHWNRVANO-RYUDHWBXSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820683638 607090658 /nfs/dbraw/zinc/09/06/58/607090658.db2.gz FDEAXDYJCYRZCN-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820683638 607090659 /nfs/dbraw/zinc/09/06/59/607090659.db2.gz FDEAXDYJCYRZCN-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2ccccc2-c2nnn[n-]2)C1 ZINC000820684580 607090670 /nfs/dbraw/zinc/09/06/70/607090670.db2.gz RJXAVMBIFUMNKM-VXGBXAGGSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2ccccc2-c2nn[n-]n2)C1 ZINC000820684580 607090671 /nfs/dbraw/zinc/09/06/71/607090671.db2.gz RJXAVMBIFUMNKM-VXGBXAGGSA-N -1 3 300.362 2.736 20 0 DFADHM Cn1c(Cl)cnc1CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822596891 607126584 /nfs/dbraw/zinc/12/65/84/607126584.db2.gz YBIUFZASOBBDQR-UHFFFAOYSA-N -1 3 324.175 2.519 20 0 DFADHM Cc1nc(Cl)cc(Oc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822449827 607129101 /nfs/dbraw/zinc/12/91/01/607129101.db2.gz QYTKNKOOSXDORP-UHFFFAOYSA-N -1 3 306.688 2.550 20 0 DFADHM Cc1nc(Cl)cc(Oc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822449827 607129102 /nfs/dbraw/zinc/12/91/02/607129102.db2.gz QYTKNKOOSXDORP-UHFFFAOYSA-N -1 3 306.688 2.550 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CCCC(F)(F)C2)n1 ZINC000822193397 607130501 /nfs/dbraw/zinc/13/05/01/607130501.db2.gz WDOYFJHVSLNHLF-SNVBAGLBSA-N -1 3 308.336 2.868 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2CCCC(F)(F)C2)n1 ZINC000822193397 607130502 /nfs/dbraw/zinc/13/05/02/607130502.db2.gz WDOYFJHVSLNHLF-SNVBAGLBSA-N -1 3 308.336 2.868 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@H]1CCOC2(CCC2)C1 ZINC000822737212 607132948 /nfs/dbraw/zinc/13/29/48/607132948.db2.gz QNWJMWFFIDOCIT-JTQLQIEISA-N -1 3 321.331 2.659 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@H]1CCOC2(CCC2)C1 ZINC000822737212 607132950 /nfs/dbraw/zinc/13/29/50/607132950.db2.gz QNWJMWFFIDOCIT-JTQLQIEISA-N -1 3 321.331 2.659 20 0 DFADHM Cc1cccn2cc(COc3ccc(-c4nnn[n-]4)cc3F)nc12 ZINC000822367030 607134845 /nfs/dbraw/zinc/13/48/45/607134845.db2.gz ZFMGCWKCLXFSAH-UHFFFAOYSA-N -1 3 324.319 2.541 20 0 DFADHM Cc1cccn2cc(COc3ccc(-c4nn[n-]n4)cc3F)nc12 ZINC000822367030 607134848 /nfs/dbraw/zinc/13/48/48/607134848.db2.gz ZFMGCWKCLXFSAH-UHFFFAOYSA-N -1 3 324.319 2.541 20 0 DFADHM COc1ccc(COc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000821824507 607136340 /nfs/dbraw/zinc/13/63/40/607136340.db2.gz KVKLHZMPSRQVFD-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(COc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000821824507 607136341 /nfs/dbraw/zinc/13/63/41/607136341.db2.gz KVKLHZMPSRQVFD-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM CCCC1(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821034565 607138667 /nfs/dbraw/zinc/13/86/67/607138667.db2.gz PDTZKJGVIORSKM-UHFFFAOYSA-N -1 3 318.356 2.708 20 0 DFADHM CCCC1(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821034565 607138668 /nfs/dbraw/zinc/13/86/68/607138668.db2.gz PDTZKJGVIORSKM-UHFFFAOYSA-N -1 3 318.356 2.708 20 0 DFADHM Fc1cccc(COc2ccc(-c3nnn[n-]3)cc2F)c1F ZINC000822748261 607140272 /nfs/dbraw/zinc/14/02/72/607140272.db2.gz PUBZOGKDZPYXNA-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1cccc(COc2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000822748261 607140274 /nfs/dbraw/zinc/14/02/74/607140274.db2.gz PUBZOGKDZPYXNA-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC23CCC3)s1 ZINC000821466004 607144160 /nfs/dbraw/zinc/14/41/60/607144160.db2.gz UJMOAILWJPOVBV-JTQLQIEISA-N -1 3 303.391 2.619 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC23CCC3)s1 ZINC000821466004 607144163 /nfs/dbraw/zinc/14/41/63/607144163.db2.gz UJMOAILWJPOVBV-JTQLQIEISA-N -1 3 303.391 2.619 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1=CCCC1 ZINC000821099446 607153810 /nfs/dbraw/zinc/15/38/10/607153810.db2.gz IKBUWMPVCNTZTL-UHFFFAOYSA-N -1 3 311.389 2.716 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1=CCCC1 ZINC000821099446 607153811 /nfs/dbraw/zinc/15/38/11/607153811.db2.gz IKBUWMPVCNTZTL-UHFFFAOYSA-N -1 3 311.389 2.716 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Cl)c1 ZINC000823450242 607157386 /nfs/dbraw/zinc/15/73/86/607157386.db2.gz LNFYAKDDASLSJV-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000823450242 607157388 /nfs/dbraw/zinc/15/73/88/607157388.db2.gz LNFYAKDDASLSJV-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821016004 607164487 /nfs/dbraw/zinc/16/44/87/607164487.db2.gz UVPNVNAJWMKUKL-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821016004 607164490 /nfs/dbraw/zinc/16/44/90/607164490.db2.gz UVPNVNAJWMKUKL-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820716965 607195501 /nfs/dbraw/zinc/19/55/01/607195501.db2.gz NIYIYMCBGWEYSA-UHFFFAOYSA-N -1 3 320.784 2.784 20 0 DFADHM CC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820716965 607195502 /nfs/dbraw/zinc/19/55/02/607195502.db2.gz NIYIYMCBGWEYSA-UHFFFAOYSA-N -1 3 320.784 2.784 20 0 DFADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820648628 607196284 /nfs/dbraw/zinc/19/62/84/607196284.db2.gz DLDJKINZHSSFRB-RKDXNWHRSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820648628 607196285 /nfs/dbraw/zinc/19/62/85/607196285.db2.gz DLDJKINZHSSFRB-RKDXNWHRSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820648625 607196447 /nfs/dbraw/zinc/19/64/47/607196447.db2.gz DLDJKINZHSSFRB-BDAKNGLRSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820648625 607196448 /nfs/dbraw/zinc/19/64/48/607196448.db2.gz DLDJKINZHSSFRB-BDAKNGLRSA-N -1 3 320.784 2.782 20 0 DFADHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCC1 ZINC000821571918 607204503 /nfs/dbraw/zinc/20/45/03/607204503.db2.gz KTGQUIHLVBGYRV-UHFFFAOYSA-N -1 3 306.757 2.536 20 0 DFADHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCC1 ZINC000821571918 607204504 /nfs/dbraw/zinc/20/45/04/607204504.db2.gz KTGQUIHLVBGYRV-UHFFFAOYSA-N -1 3 306.757 2.536 20 0 DFADHM O=C(CCc1ccoc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822983169 607243935 /nfs/dbraw/zinc/24/39/35/607243935.db2.gz LYXSRMQFCYSQIP-UHFFFAOYSA-N -1 3 317.736 2.684 20 0 DFADHM O=C(CCc1ccoc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822983169 607243936 /nfs/dbraw/zinc/24/39/36/607243936.db2.gz LYXSRMQFCYSQIP-UHFFFAOYSA-N -1 3 317.736 2.684 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C1(c2ccccc2)CC1 ZINC000823449957 607245711 /nfs/dbraw/zinc/24/57/11/607245711.db2.gz GLAWRPRWVWGSRW-UHFFFAOYSA-N -1 3 324.315 2.643 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C1(c2ccccc2)CC1 ZINC000823449957 607245712 /nfs/dbraw/zinc/24/57/12/607245712.db2.gz GLAWRPRWVWGSRW-UHFFFAOYSA-N -1 3 324.315 2.643 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820691790 607247817 /nfs/dbraw/zinc/24/78/17/607247817.db2.gz ZKQDJYZEKFCZCK-ONGXEEELSA-N -1 3 304.325 2.738 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820691790 607247818 /nfs/dbraw/zinc/24/78/18/607247818.db2.gz ZKQDJYZEKFCZCK-ONGXEEELSA-N -1 3 304.325 2.738 20 0 DFADHM CCCCSCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821077604 607249495 /nfs/dbraw/zinc/24/94/95/607249495.db2.gz NDFSKXHEDPRIRY-UHFFFAOYSA-N -1 3 324.381 2.835 20 0 DFADHM CCCCSCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821077604 607249496 /nfs/dbraw/zinc/24/94/96/607249496.db2.gz NDFSKXHEDPRIRY-UHFFFAOYSA-N -1 3 324.381 2.835 20 0 DFADHM CN(C(=O)/C=C/C1CCCCC1)c1ccccc1-c1nnn[n-]1 ZINC000825812290 607786267 /nfs/dbraw/zinc/78/62/67/607786267.db2.gz JTJIGCWBDVDUJL-VAWYXSNFSA-N -1 3 311.389 2.966 20 0 DFADHM CN(C(=O)/C=C/C1CCCCC1)c1ccccc1-c1nn[n-]n1 ZINC000825812290 607786268 /nfs/dbraw/zinc/78/62/68/607786268.db2.gz JTJIGCWBDVDUJL-VAWYXSNFSA-N -1 3 311.389 2.966 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824457741 607786995 /nfs/dbraw/zinc/78/69/95/607786995.db2.gz RIEFBZVBEJPENS-CYBMUJFWSA-N -1 3 321.384 2.708 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824457741 607786996 /nfs/dbraw/zinc/78/69/96/607786996.db2.gz RIEFBZVBEJPENS-CYBMUJFWSA-N -1 3 321.384 2.708 20 0 DFADHM CN(C(=O)c1cccc2c1CCC2)c1ccccc1-c1nnn[n-]1 ZINC000825830254 607787669 /nfs/dbraw/zinc/78/76/69/607787669.db2.gz QOAKLAQTTTYZMS-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM CN(C(=O)c1cccc2c1CCC2)c1ccccc1-c1nn[n-]n1 ZINC000825830254 607787670 /nfs/dbraw/zinc/78/76/70/607787670.db2.gz QOAKLAQTTTYZMS-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM CC[C@H](CC(=O)N(C)c1ccccc1-c1nnn[n-]1)C(C)C ZINC000825082436 607790527 /nfs/dbraw/zinc/79/05/27/607790527.db2.gz TZTKLTMQEIIQCZ-GFCCVEGCSA-N -1 3 301.394 2.902 20 0 DFADHM CC[C@H](CC(=O)N(C)c1ccccc1-c1nn[n-]n1)C(C)C ZINC000825082436 607790528 /nfs/dbraw/zinc/79/05/28/607790528.db2.gz TZTKLTMQEIIQCZ-GFCCVEGCSA-N -1 3 301.394 2.902 20 0 DFADHM CCCC(CCC)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825242228 607792788 /nfs/dbraw/zinc/79/27/88/607792788.db2.gz LSVNGAYHONGSEP-UHFFFAOYSA-N -1 3 301.394 2.699 20 0 DFADHM CCCC(CCC)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825242228 607792789 /nfs/dbraw/zinc/79/27/89/607792789.db2.gz LSVNGAYHONGSEP-UHFFFAOYSA-N -1 3 301.394 2.699 20 0 DFADHM CCN(C(=O)[C@H]1Cc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366493 607797011 /nfs/dbraw/zinc/79/70/11/607797011.db2.gz AJMXDZSTBPPXRA-INIZCTEOSA-N -1 3 319.368 2.560 20 0 DFADHM CCN(C(=O)[C@H]1Cc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366493 607797012 /nfs/dbraw/zinc/79/70/12/607797012.db2.gz AJMXDZSTBPPXRA-INIZCTEOSA-N -1 3 319.368 2.560 20 0 DFADHM CCN(C(=O)Cc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376915 607798405 /nfs/dbraw/zinc/79/84/05/607798405.db2.gz PWRKNVDNFBRGEO-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CCN(C(=O)Cc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376915 607798406 /nfs/dbraw/zinc/79/84/06/607798406.db2.gz PWRKNVDNFBRGEO-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM C[C@H](OCCCNc1cnccc1-c1nnn[n-]1)c1ccccc1 ZINC000824730407 607838626 /nfs/dbraw/zinc/83/86/26/607838626.db2.gz NGWIOYQOBJBYHK-ZDUSSCGKSA-N -1 3 324.388 2.842 20 0 DFADHM C[C@H](OCCCNc1cnccc1-c1nn[n-]n1)c1ccccc1 ZINC000824730407 607838627 /nfs/dbraw/zinc/83/86/27/607838627.db2.gz NGWIOYQOBJBYHK-ZDUSSCGKSA-N -1 3 324.388 2.842 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)c1ccccc1C ZINC000826278992 607877328 /nfs/dbraw/zinc/87/73/28/607877328.db2.gz BGRLLNHYONDYCD-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)c1ccccc1C ZINC000826278992 607877329 /nfs/dbraw/zinc/87/73/29/607877329.db2.gz BGRLLNHYONDYCD-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM CC[C@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825050682 607878392 /nfs/dbraw/zinc/87/83/92/607878392.db2.gz KYBXBEJTRSSWBT-VIFPVBQESA-N -1 3 307.785 2.919 20 0 DFADHM CC[C@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825050682 607878393 /nfs/dbraw/zinc/87/83/93/607878393.db2.gz KYBXBEJTRSSWBT-VIFPVBQESA-N -1 3 307.785 2.919 20 0 DFADHM CCN(C(=O)[C@H]1C[C@@H]1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367443 607878793 /nfs/dbraw/zinc/87/87/93/607878793.db2.gz QCEIMXZJECBYFO-KWQFWETISA-N -1 3 305.769 2.529 20 0 DFADHM CCN(C(=O)[C@H]1C[C@@H]1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367443 607878794 /nfs/dbraw/zinc/87/87/94/607878794.db2.gz QCEIMXZJECBYFO-KWQFWETISA-N -1 3 305.769 2.529 20 0 DFADHM Cc1ccnc(CSCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000826308798 607880841 /nfs/dbraw/zinc/88/08/41/607880841.db2.gz QIVQHIWGCKCQET-UHFFFAOYSA-N -1 3 316.365 2.538 20 0 DFADHM Cc1ccnc(CSCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000826308798 607880842 /nfs/dbraw/zinc/88/08/42/607880842.db2.gz QIVQHIWGCKCQET-UHFFFAOYSA-N -1 3 316.365 2.538 20 0 DFADHM Clc1ccc(Cn2ccc(-c3nnn[n-]3)c2)c2ncccc12 ZINC000826351985 607892654 /nfs/dbraw/zinc/89/26/54/607892654.db2.gz IVUVMZKZVJFYRE-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM Clc1ccc(Cn2ccc(-c3nn[n-]n3)c2)c2ncccc12 ZINC000826351985 607892655 /nfs/dbraw/zinc/89/26/55/607892655.db2.gz IVUVMZKZVJFYRE-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM CC(C)(C(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000824065142 607931480 /nfs/dbraw/zinc/93/14/80/607931480.db2.gz TUFJKXUPDVIOQV-UHFFFAOYSA-N -1 3 313.405 2.699 20 0 DFADHM CC(C)(C(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000824065142 607931481 /nfs/dbraw/zinc/93/14/81/607931481.db2.gz TUFJKXUPDVIOQV-UHFFFAOYSA-N -1 3 313.405 2.699 20 0 DFADHM O=C(Nc1ccccc1F)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826457587 607931976 /nfs/dbraw/zinc/93/19/76/607931976.db2.gz HVHSQYLBOABUPO-UHFFFAOYSA-N -1 3 324.319 2.600 20 0 DFADHM O=C(Nc1ccccc1F)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826457587 607931977 /nfs/dbraw/zinc/93/19/77/607931977.db2.gz HVHSQYLBOABUPO-UHFFFAOYSA-N -1 3 324.319 2.600 20 0 DFADHM CC=C(C=CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)CC ZINC000825027993 607955750 /nfs/dbraw/zinc/95/57/50/607955750.db2.gz BRVCCUYGZOYETG-MLJMVLIVSA-N -1 3 309.373 2.668 20 0 DFADHM CC=C(C=CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)CC ZINC000825027993 607955751 /nfs/dbraw/zinc/95/57/51/607955751.db2.gz BRVCCUYGZOYETG-MLJMVLIVSA-N -1 3 309.373 2.668 20 0 DFADHM COc1ccc(COc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000826207196 607972066 /nfs/dbraw/zinc/97/20/66/607972066.db2.gz DRVQENIBLCVJGB-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1ccc(COc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826207196 607972067 /nfs/dbraw/zinc/97/20/67/607972067.db2.gz DRVQENIBLCVJGB-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM c1ccc2c(c1)CCC[C@H]2CNc1cnccc1-c1nnn[n-]1 ZINC000826523174 607989414 /nfs/dbraw/zinc/98/94/14/607989414.db2.gz DDSHMJYNNSEKMH-ZDUSSCGKSA-N -1 3 306.373 2.794 20 0 DFADHM c1ccc2c(c1)CCC[C@H]2CNc1cnccc1-c1nn[n-]n1 ZINC000826523174 607989415 /nfs/dbraw/zinc/98/94/15/607989415.db2.gz DDSHMJYNNSEKMH-ZDUSSCGKSA-N -1 3 306.373 2.794 20 0 DFADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC12CCCCC2 ZINC000826475722 608009582 /nfs/dbraw/zinc/00/95/82/608009582.db2.gz OIHOAKLNWBALQF-UHFFFAOYSA-N -1 3 317.418 2.867 20 0 DFADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC12CCCCC2 ZINC000826475722 608009583 /nfs/dbraw/zinc/00/95/83/608009583.db2.gz OIHOAKLNWBALQF-UHFFFAOYSA-N -1 3 317.418 2.867 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CN(Cc1cccnc1)C1CC1 ZINC000826373442 608079554 /nfs/dbraw/zinc/07/95/54/608079554.db2.gz MGRLWOWSTHBUPY-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM C[C@@H](c1cccnc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000824772742 608085974 /nfs/dbraw/zinc/08/59/74/608085974.db2.gz XBVUTNYEAOAPKI-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM C[C@@H](c1cccnc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000824772742 608085975 /nfs/dbraw/zinc/08/59/75/608085975.db2.gz XBVUTNYEAOAPKI-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM C[C@H](Nc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662217 608097057 /nfs/dbraw/zinc/09/70/57/608097057.db2.gz FVXNQQWWVCQNCS-JTQLQIEISA-N -1 3 305.345 2.916 20 0 DFADHM C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000824391733 608123276 /nfs/dbraw/zinc/12/32/76/608123276.db2.gz JVQDTRMFRAKKBC-ZANVPECISA-N -1 3 317.324 2.523 20 0 DFADHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824080079 608149707 /nfs/dbraw/zinc/14/97/07/608149707.db2.gz UGZJLZQKBLQTAX-KGLIPLIRSA-N -1 3 301.394 2.872 20 0 DFADHM CCC1(CO)CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000825171193 608151559 /nfs/dbraw/zinc/15/15/59/608151559.db2.gz MSKVISINWRGASN-UHFFFAOYSA-N -1 3 321.812 2.509 20 0 DFADHM CCC1(CO)CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000825171193 608151561 /nfs/dbraw/zinc/15/15/61/608151561.db2.gz MSKVISINWRGASN-UHFFFAOYSA-N -1 3 321.812 2.509 20 0 DFADHM CC[C@@H](O)c1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825154844 608151657 /nfs/dbraw/zinc/15/16/57/608151657.db2.gz UREOWLCGXSOTRH-MRXNPFEDSA-N -1 3 310.357 2.889 20 0 DFADHM CC[C@@H](O)c1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825154844 608151658 /nfs/dbraw/zinc/15/16/58/608151658.db2.gz UREOWLCGXSOTRH-MRXNPFEDSA-N -1 3 310.357 2.889 20 0 DFADHM c1cnc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826516218 608151880 /nfs/dbraw/zinc/15/18/80/608151880.db2.gz BCYPIJOIABVAJD-UHFFFAOYSA-N -1 3 303.325 2.994 20 0 DFADHM c1cnc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826516218 608151881 /nfs/dbraw/zinc/15/18/81/608151881.db2.gz BCYPIJOIABVAJD-UHFFFAOYSA-N -1 3 303.325 2.994 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CC12CCCCC2 ZINC000826401952 608165021 /nfs/dbraw/zinc/16/50/21/608165021.db2.gz JZGUOZAOCRCPJJ-WHLNPGIBSA-N -1 3 323.400 2.719 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CC12CCCCC2 ZINC000826401952 608165022 /nfs/dbraw/zinc/16/50/22/608165022.db2.gz JZGUOZAOCRCPJJ-WHLNPGIBSA-N -1 3 323.400 2.719 20 0 DFADHM O=C(O[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826467802 608167338 /nfs/dbraw/zinc/16/73/38/608167338.db2.gz MKAIVMBMZIWCFH-HNNXBMFYSA-N -1 3 322.324 2.547 20 0 DFADHM O=C(O[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826467802 608167339 /nfs/dbraw/zinc/16/73/39/608167339.db2.gz MKAIVMBMZIWCFH-HNNXBMFYSA-N -1 3 322.324 2.547 20 0 DFADHM C[C@@H]1CCC[C@@H](COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824929758 608170233 /nfs/dbraw/zinc/17/02/33/608170233.db2.gz YNYRQYIHEYIKIG-TZMCWYRMSA-N -1 3 314.389 2.779 20 0 DFADHM C[C@@H]1CCC[C@@H](COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824929758 608170235 /nfs/dbraw/zinc/17/02/35/608170235.db2.gz YNYRQYIHEYIKIG-TZMCWYRMSA-N -1 3 314.389 2.779 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccco1 ZINC000826232465 608190039 /nfs/dbraw/zinc/19/00/39/608190039.db2.gz NYFKMQXTSOEPSK-IQQGHNRFSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000826232465 608190041 /nfs/dbraw/zinc/19/00/41/608190041.db2.gz NYFKMQXTSOEPSK-IQQGHNRFSA-N -1 3 310.313 2.777 20 0 DFADHM c1coc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826526200 608222193 /nfs/dbraw/zinc/22/21/93/608222193.db2.gz OXSINHSMFNEVTC-UHFFFAOYSA-N -1 3 306.329 2.663 20 0 DFADHM c1coc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826526200 608222195 /nfs/dbraw/zinc/22/21/95/608222195.db2.gz OXSINHSMFNEVTC-UHFFFAOYSA-N -1 3 306.329 2.663 20 0 DFADHM Cc1nnc(Nc2ccc(C3CC3)cc2)c(-c2nnn[n-]2)c1C ZINC000826336563 608237033 /nfs/dbraw/zinc/23/70/33/608237033.db2.gz CXWKRAVVRHZPDV-UHFFFAOYSA-N -1 3 307.361 2.895 20 0 DFADHM Cc1nnc(Nc2ccc(C3CC3)cc2)c(-c2nn[n-]n2)c1C ZINC000826336563 608237035 /nfs/dbraw/zinc/23/70/35/608237035.db2.gz CXWKRAVVRHZPDV-UHFFFAOYSA-N -1 3 307.361 2.895 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825194913 608240805 /nfs/dbraw/zinc/24/08/05/608240805.db2.gz SUBXISNATHHUIH-MFKMUULPSA-N -1 3 300.366 2.662 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825194913 608240806 /nfs/dbraw/zinc/24/08/06/608240806.db2.gz SUBXISNATHHUIH-MFKMUULPSA-N -1 3 300.366 2.662 20 0 DFADHM CC(C)[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824217211 608243037 /nfs/dbraw/zinc/24/30/37/608243037.db2.gz ZERVYWBNWOFVPF-ZWNOBZJWSA-N -1 3 305.357 2.621 20 0 DFADHM CC(C)[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824217211 608243038 /nfs/dbraw/zinc/24/30/38/608243038.db2.gz ZERVYWBNWOFVPF-ZWNOBZJWSA-N -1 3 305.357 2.621 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825195002 608265446 /nfs/dbraw/zinc/26/54/46/608265446.db2.gz UNVDGFAATZOGMG-KOLCDFICSA-N -1 3 318.356 2.801 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825195002 608265447 /nfs/dbraw/zinc/26/54/47/608265447.db2.gz UNVDGFAATZOGMG-KOLCDFICSA-N -1 3 318.356 2.801 20 0 DFADHM CCC(CC)CCOC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000825108592 608275750 /nfs/dbraw/zinc/27/57/50/608275750.db2.gz XLWQKIICQCAGMB-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CCC(CC)CCOC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000825108592 608275752 /nfs/dbraw/zinc/27/57/52/608275752.db2.gz XLWQKIICQCAGMB-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc([C@H]3C[C@H]3C)o2)n1 ZINC000826276394 608277006 /nfs/dbraw/zinc/27/70/06/608277006.db2.gz DUNJBSIJHZGKIT-RNCFNFMXSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc([C@H]3C[C@H]3C)o2)n1 ZINC000826276394 608277008 /nfs/dbraw/zinc/27/70/08/608277008.db2.gz DUNJBSIJHZGKIT-RNCFNFMXSA-N -1 3 310.361 2.899 20 0 DFADHM C[C@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000824946992 608278506 /nfs/dbraw/zinc/27/85/06/608278506.db2.gz LVJQYYQRBVSSFQ-LBPRGKRZSA-N -1 3 312.421 2.767 20 0 DFADHM C[C@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000824946992 608278507 /nfs/dbraw/zinc/27/85/07/608278507.db2.gz LVJQYYQRBVSSFQ-LBPRGKRZSA-N -1 3 312.421 2.767 20 0 DFADHM CN(CC(C)(C)C)c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000825897505 608281119 /nfs/dbraw/zinc/28/11/19/608281119.db2.gz HWRSOCIODGIURF-UHFFFAOYSA-N -1 3 300.410 2.623 20 0 DFADHM CN(CC(C)(C)C)c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000825897505 608281121 /nfs/dbraw/zinc/28/11/21/608281121.db2.gz HWRSOCIODGIURF-UHFFFAOYSA-N -1 3 300.410 2.623 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@H](C)c2ccccc2)n1 ZINC000826273700 608281907 /nfs/dbraw/zinc/28/19/07/608281907.db2.gz QBYPMUUQZWVTAC-LBPRGKRZSA-N -1 3 308.389 2.810 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@H](C)c2ccccc2)n1 ZINC000826273700 608281908 /nfs/dbraw/zinc/28/19/08/608281908.db2.gz QBYPMUUQZWVTAC-LBPRGKRZSA-N -1 3 308.389 2.810 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](c3ccccc3F)C2)n1 ZINC000826274159 608284768 /nfs/dbraw/zinc/28/47/68/608284768.db2.gz IMXPZRQSUWPNQL-GFCCVEGCSA-N -1 3 324.363 2.703 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](c3ccccc3F)C2)n1 ZINC000826274159 608284769 /nfs/dbraw/zinc/28/47/69/608284769.db2.gz IMXPZRQSUWPNQL-GFCCVEGCSA-N -1 3 324.363 2.703 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCOc3ccccc32)n1 ZINC000826275808 608286851 /nfs/dbraw/zinc/28/68/51/608286851.db2.gz LAYRGYZLVDKULQ-LBPRGKRZSA-N -1 3 322.372 2.548 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCOc3ccccc32)n1 ZINC000826275808 608286852 /nfs/dbraw/zinc/28/68/52/608286852.db2.gz LAYRGYZLVDKULQ-LBPRGKRZSA-N -1 3 322.372 2.548 20 0 DFADHM Cc1ccc(O[C@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000826292535 608291390 /nfs/dbraw/zinc/29/13/90/608291390.db2.gz YNZGHJQMHYPJPR-CYBMUJFWSA-N -1 3 324.388 2.758 20 0 DFADHM Cc1ccc(O[C@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000826292535 608291391 /nfs/dbraw/zinc/29/13/91/608291391.db2.gz YNZGHJQMHYPJPR-CYBMUJFWSA-N -1 3 324.388 2.758 20 0 DFADHM CS[C@H](C)CCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826225942 608292543 /nfs/dbraw/zinc/29/25/43/608292543.db2.gz OGPXHNKZMZCXFT-MNOVXSKESA-N -1 3 319.434 2.576 20 0 DFADHM CS[C@H](C)CCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826225942 608292544 /nfs/dbraw/zinc/29/25/44/608292544.db2.gz OGPXHNKZMZCXFT-MNOVXSKESA-N -1 3 319.434 2.576 20 0 DFADHM COCC1(C)CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000826152868 608297874 /nfs/dbraw/zinc/29/78/74/608297874.db2.gz QOWVNXXZVJXZQO-UHFFFAOYSA-N -1 3 321.812 2.773 20 0 DFADHM COCC1(C)CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000826152868 608297876 /nfs/dbraw/zinc/29/78/76/608297876.db2.gz QOWVNXXZVJXZQO-UHFFFAOYSA-N -1 3 321.812 2.773 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2cc3ccccc3[nH]2)n1 ZINC000826276628 608298772 /nfs/dbraw/zinc/29/87/72/608298772.db2.gz OSVQGJGHSCREPQ-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2cc3ccccc3[nH]2)n1 ZINC000826276628 608298774 /nfs/dbraw/zinc/29/87/74/608298774.db2.gz OSVQGJGHSCREPQ-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM C[C@@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C[C@@H]1C ZINC000824961076 608302518 /nfs/dbraw/zinc/30/25/18/608302518.db2.gz AZKNRLDMVRBCJG-NEPJUHHUSA-N -1 3 312.421 2.623 20 0 DFADHM C[C@@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C[C@@H]1C ZINC000824961076 608302520 /nfs/dbraw/zinc/30/25/20/608302520.db2.gz AZKNRLDMVRBCJG-NEPJUHHUSA-N -1 3 312.421 2.623 20 0 DFADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1F ZINC000824648699 608304269 /nfs/dbraw/zinc/30/42/69/608304269.db2.gz IXLORBMADREGNK-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1F ZINC000824648699 608304271 /nfs/dbraw/zinc/30/42/71/608304271.db2.gz IXLORBMADREGNK-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM Cc1c(NC(=O)N2CC[C@H](C)[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC000826241687 608308243 /nfs/dbraw/zinc/30/82/43/608308243.db2.gz LOFVWCGVNBNEED-QWRGUYRKSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1c(NC(=O)N2CC[C@H](C)[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC000826241687 608308245 /nfs/dbraw/zinc/30/82/45/608308245.db2.gz LOFVWCGVNBNEED-QWRGUYRKSA-N -1 3 314.393 2.685 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)c1cccc(C)c1 ZINC000826168108 608358018 /nfs/dbraw/zinc/35/80/18/608358018.db2.gz CCRZQSQUFLPSPA-UHFFFAOYSA-N -1 3 309.373 2.820 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)c1cccc(C)c1 ZINC000826168108 608358020 /nfs/dbraw/zinc/35/80/20/608358020.db2.gz CCRZQSQUFLPSPA-UHFFFAOYSA-N -1 3 309.373 2.820 20 0 DFADHM Oc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000826511642 608372507 /nfs/dbraw/zinc/37/25/07/608372507.db2.gz YMYRDILUTCSZRZ-UHFFFAOYSA-N -1 3 318.340 2.733 20 0 DFADHM Oc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000826511642 608372510 /nfs/dbraw/zinc/37/25/10/608372510.db2.gz YMYRDILUTCSZRZ-UHFFFAOYSA-N -1 3 318.340 2.733 20 0 DFADHM Oc1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000826511401 608372623 /nfs/dbraw/zinc/37/26/23/608372623.db2.gz OEASMNOZVYVFKM-UHFFFAOYSA-N -1 3 318.340 2.733 20 0 DFADHM Oc1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000826511401 608372625 /nfs/dbraw/zinc/37/26/25/608372625.db2.gz OEASMNOZVYVFKM-UHFFFAOYSA-N -1 3 318.340 2.733 20 0 DFADHM Oc1cccc2c1CC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826511584 608382213 /nfs/dbraw/zinc/38/22/13/608382213.db2.gz WQGYBGKYKYWNHP-CYBMUJFWSA-N -1 3 311.320 2.811 20 0 DFADHM CCCN(Cc1cccc(-c2nn[n-]n2)c1F)CC(F)(F)F ZINC000825323164 608393999 /nfs/dbraw/zinc/39/39/99/608393999.db2.gz PYYSWBBOJJBAEV-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM CCCN(Cc1cccc(-c2nnn[n-]2)c1F)CC(F)(F)F ZINC000825323164 608393997 /nfs/dbraw/zinc/39/39/97/608393997.db2.gz PYYSWBBOJJBAEV-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM Cc1cccc2c1N(Cc1cccc(-c3nnn[n-]3)c1F)CC2 ZINC000826304889 608403132 /nfs/dbraw/zinc/40/31/32/608403132.db2.gz BZGGQJWENUOQHU-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1cccc2c1N(Cc1cccc(-c3nn[n-]n3)c1F)CC2 ZINC000826304889 608403133 /nfs/dbraw/zinc/40/31/33/608403133.db2.gz BZGGQJWENUOQHU-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1nc(CCOc2cc(Cl)ccc2-c2nnn[n-]2)cs1 ZINC000826325755 608403835 /nfs/dbraw/zinc/40/38/35/608403835.db2.gz KRYLJXLTMMOZGA-UHFFFAOYSA-N -1 3 321.793 2.907 20 0 DFADHM Cc1nc(CCOc2cc(Cl)ccc2-c2nn[n-]n2)cs1 ZINC000826325755 608403836 /nfs/dbraw/zinc/40/38/36/608403836.db2.gz KRYLJXLTMMOZGA-UHFFFAOYSA-N -1 3 321.793 2.907 20 0 DFADHM CC[C@@](C)(NCc1cccc(-c2nnn[n-]2)c1F)C(F)(F)F ZINC000825044681 608406278 /nfs/dbraw/zinc/40/62/78/608406278.db2.gz SEYAHKDPJWVOSL-GFCCVEGCSA-N -1 3 317.290 2.826 20 0 DFADHM CC[C@@](C)(NCc1cccc(-c2nn[n-]n2)c1F)C(F)(F)F ZINC000825044681 608406279 /nfs/dbraw/zinc/40/62/79/608406279.db2.gz SEYAHKDPJWVOSL-GFCCVEGCSA-N -1 3 317.290 2.826 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826146152 608414578 /nfs/dbraw/zinc/41/45/78/608414578.db2.gz QXXPXCJYQHGQGD-TVQRCGJNSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826146152 608414580 /nfs/dbraw/zinc/41/45/80/608414580.db2.gz QXXPXCJYQHGQGD-TVQRCGJNSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H](c1cccnc1)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824771126 608417960 /nfs/dbraw/zinc/41/79/60/608417960.db2.gz PDRZMEKNEPKTJM-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM C[C@@H](c1cccnc1)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824771126 608417961 /nfs/dbraw/zinc/41/79/61/608417961.db2.gz PDRZMEKNEPKTJM-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM CCCCn1ncc(NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000825301458 608427942 /nfs/dbraw/zinc/42/79/42/608427942.db2.gz LMQFQZCMPTVCJM-UHFFFAOYSA-N -1 3 311.393 2.784 20 0 DFADHM CCCCn1ncc(NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000825301458 608427944 /nfs/dbraw/zinc/42/79/44/608427944.db2.gz LMQFQZCMPTVCJM-UHFFFAOYSA-N -1 3 311.393 2.784 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1F ZINC000826466887 608440654 /nfs/dbraw/zinc/44/06/54/608440654.db2.gz XKTDTAIRHOJTQT-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1F ZINC000826466887 608440656 /nfs/dbraw/zinc/44/06/56/608440656.db2.gz XKTDTAIRHOJTQT-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM C[C@@H]1CC(Nc2c(F)cc(-c3nnn[n-]3)cc2F)C[C@@H](C)O1 ZINC000824892545 608444624 /nfs/dbraw/zinc/44/46/24/608444624.db2.gz KCURRWVCQQBUSM-HTQZYQBOSA-N -1 3 309.320 2.513 20 0 DFADHM C[C@@H]1CC(Nc2c(F)cc(-c3nn[n-]n3)cc2F)C[C@@H](C)O1 ZINC000824892545 608444625 /nfs/dbraw/zinc/44/46/25/608444625.db2.gz KCURRWVCQQBUSM-HTQZYQBOSA-N -1 3 309.320 2.513 20 0 DFADHM c1csc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000823868191 608465532 /nfs/dbraw/zinc/46/55/32/608465532.db2.gz QDDWCZDDFMFTRN-UHFFFAOYSA-N -1 3 324.413 2.613 20 0 DFADHM c1csc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000823868191 608465534 /nfs/dbraw/zinc/46/55/34/608465534.db2.gz QDDWCZDDFMFTRN-UHFFFAOYSA-N -1 3 324.413 2.613 20 0 DFADHM CC/C=C(\C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825218484 608483022 /nfs/dbraw/zinc/48/30/22/608483022.db2.gz DAJMNHUZCZMOLW-YIXHJXPBSA-N -1 3 323.400 2.839 20 0 DFADHM CC/C=C(\C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825218484 608483023 /nfs/dbraw/zinc/48/30/23/608483023.db2.gz DAJMNHUZCZMOLW-YIXHJXPBSA-N -1 3 323.400 2.839 20 0 DFADHM CCC/C=C\C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825260348 608486338 /nfs/dbraw/zinc/48/63/38/608486338.db2.gz OJQVUXZIMYIJCY-PLNGDYQASA-N -1 3 323.400 2.839 20 0 DFADHM CCC/C=C\C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825260348 608486340 /nfs/dbraw/zinc/48/63/40/608486340.db2.gz OJQVUXZIMYIJCY-PLNGDYQASA-N -1 3 323.400 2.839 20 0 DFADHM Fc1cccc([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826376767 608530635 /nfs/dbraw/zinc/53/06/35/608530635.db2.gz QVLKNFOYANERBA-AWEZNQCLSA-N -1 3 313.336 2.936 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)nc1N(C)Cc1ccccc1Cl ZINC000826280062 608541205 /nfs/dbraw/zinc/54/12/05/608541205.db2.gz MNOCMDCLKNCTBH-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM CCc1ccnc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825728245 608545679 /nfs/dbraw/zinc/54/56/79/608545679.db2.gz KVXRLJLZDMBWNC-LLVKDONJSA-N -1 3 323.356 2.742 20 0 DFADHM CCc1ccnc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825728245 608545681 /nfs/dbraw/zinc/54/56/81/608545681.db2.gz KVXRLJLZDMBWNC-LLVKDONJSA-N -1 3 323.356 2.742 20 0 DFADHM COc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000826208868 608568832 /nfs/dbraw/zinc/56/88/32/608568832.db2.gz CZTMWMBSAUVWJH-UHFFFAOYSA-N -1 3 305.338 2.688 20 0 DFADHM C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824935675 608573036 /nfs/dbraw/zinc/57/30/36/608573036.db2.gz BUUJRQFIFLZFEL-SECBINFHSA-N -1 3 305.769 2.535 20 0 DFADHM C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824935675 608573037 /nfs/dbraw/zinc/57/30/37/608573037.db2.gz BUUJRQFIFLZFEL-SECBINFHSA-N -1 3 305.769 2.535 20 0 DFADHM CN1CCc2ccc(Nc3cccc(F)c3-c3nnn[n-]3)cc21 ZINC000826045307 608586748 /nfs/dbraw/zinc/58/67/48/608586748.db2.gz UHNFSVWDEPUKPJ-UHFFFAOYSA-N -1 3 310.336 2.742 20 0 DFADHM CN1CCc2ccc(Nc3cccc(F)c3-c3nn[n-]n3)cc21 ZINC000826045307 608586749 /nfs/dbraw/zinc/58/67/49/608586749.db2.gz UHNFSVWDEPUKPJ-UHFFFAOYSA-N -1 3 310.336 2.742 20 0 DFADHM CN(Cc1ccccc1F)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825981078 608644819 /nfs/dbraw/zinc/64/48/19/608644819.db2.gz OHSMOJSMHPIOGV-UHFFFAOYSA-N -1 3 315.327 2.777 20 0 DFADHM CN(Cc1ccccc1F)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825981078 608644820 /nfs/dbraw/zinc/64/48/20/608644820.db2.gz OHSMOJSMHPIOGV-UHFFFAOYSA-N -1 3 315.327 2.777 20 0 DFADHM Cc1csc([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC000826320541 608663902 /nfs/dbraw/zinc/66/39/02/608663902.db2.gz UZJUWBIGJDPURB-LLVKDONJSA-N -1 3 316.390 2.562 20 0 DFADHM Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(-c3nnn[n-]3)o2)s1 ZINC000826324458 608691636 /nfs/dbraw/zinc/69/16/36/608691636.db2.gz RNTSGVJYFKVNRC-SECBINFHSA-N -1 3 318.406 2.726 20 0 DFADHM Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(-c3nn[n-]n3)o2)s1 ZINC000826324458 608691638 /nfs/dbraw/zinc/69/16/38/608691638.db2.gz RNTSGVJYFKVNRC-SECBINFHSA-N -1 3 318.406 2.726 20 0 DFADHM Fc1ccc(CNc2cnccc2-c2nnn[n-]2)cc1Cl ZINC000826374901 608779587 /nfs/dbraw/zinc/77/95/87/608779587.db2.gz QVZZGCBPLNIARL-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(CNc2cnccc2-c2nn[n-]n2)cc1Cl ZINC000826374901 608779588 /nfs/dbraw/zinc/77/95/88/608779588.db2.gz QVZZGCBPLNIARL-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2cnccc2-c2nnn[n-]2)c(C)c1 ZINC000826287649 608781107 /nfs/dbraw/zinc/78/11/07/608781107.db2.gz XHVDTYDRLGSMDT-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2cnccc2-c2nn[n-]n2)c(C)c1 ZINC000826287649 608781109 /nfs/dbraw/zinc/78/11/09/608781109.db2.gz XHVDTYDRLGSMDT-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM CC1(c2ccccc2)CC(Nc2cnccc2-c2nnn[n-]2)C1 ZINC000824843138 608781124 /nfs/dbraw/zinc/78/11/24/608781124.db2.gz AGUUGLGHYKEBGQ-UHFFFAOYSA-N -1 3 306.373 2.794 20 0 DFADHM CC1(c2ccccc2)CC(Nc2cnccc2-c2nn[n-]n2)C1 ZINC000824843138 608781128 /nfs/dbraw/zinc/78/11/28/608781128.db2.gz AGUUGLGHYKEBGQ-UHFFFAOYSA-N -1 3 306.373 2.794 20 0 DFADHM CCO[C@H]1C[C@H](Nc2cnccc2-c2nnn[n-]2)C1(CC)CC ZINC000825583934 608789099 /nfs/dbraw/zinc/78/90/99/608789099.db2.gz YPPZPWXLJHTLQZ-KBPBESRZSA-N -1 3 316.409 2.657 20 0 DFADHM CCO[C@H]1C[C@H](Nc2cnccc2-c2nn[n-]n2)C1(CC)CC ZINC000825583934 608789101 /nfs/dbraw/zinc/78/91/01/608789101.db2.gz YPPZPWXLJHTLQZ-KBPBESRZSA-N -1 3 316.409 2.657 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)CCN1c1cnccc1-c1nnn[n-]1 ZINC000824857128 608789159 /nfs/dbraw/zinc/78/91/59/608789159.db2.gz BHMUYCWFAWGDOB-JSGCOSHPSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)CCN1c1cnccc1-c1nn[n-]n1 ZINC000824857128 608789161 /nfs/dbraw/zinc/78/91/61/608789161.db2.gz BHMUYCWFAWGDOB-JSGCOSHPSA-N -1 3 306.373 2.644 20 0 DFADHM CCC(CC)[C@@H](CCNc1cnccc1-c1nnn[n-]1)OC ZINC000825095934 608793901 /nfs/dbraw/zinc/79/39/01/608793901.db2.gz KSDABCFPBGPVRS-CQSZACIVSA-N -1 3 304.398 2.515 20 0 DFADHM CCC(CC)[C@@H](CCNc1cnccc1-c1nn[n-]n1)OC ZINC000825095934 608793903 /nfs/dbraw/zinc/79/39/03/608793903.db2.gz KSDABCFPBGPVRS-CQSZACIVSA-N -1 3 304.398 2.515 20 0 DFADHM COC[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826151715 608798483 /nfs/dbraw/zinc/79/84/83/608798483.db2.gz IHICMRDJNBWYNW-OAHLLOKOSA-N -1 3 313.336 2.805 20 0 DFADHM COC[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826151715 608798484 /nfs/dbraw/zinc/79/84/84/608798484.db2.gz IHICMRDJNBWYNW-OAHLLOKOSA-N -1 3 313.336 2.805 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1cc(Cl)cn1C ZINC000825962359 608836093 /nfs/dbraw/zinc/83/60/93/608836093.db2.gz XXLKURDTCUCLKC-UHFFFAOYSA-N -1 3 322.825 2.552 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1cc(Cl)cn1C ZINC000825962359 608836096 /nfs/dbraw/zinc/83/60/96/608836096.db2.gz XXLKURDTCUCLKC-UHFFFAOYSA-N -1 3 322.825 2.552 20 0 DFADHM CC(C)n1cc2c(n1)[C@@H](Nc1ccc(-c3nnn[n-]3)cn1)CCC2 ZINC000824371489 609150024 /nfs/dbraw/zinc/15/00/24/609150024.db2.gz HTCQTCLGCXQLNM-ZDUSSCGKSA-N -1 3 324.392 2.529 20 0 DFADHM CC(C)n1cc2c(n1)[C@@H](Nc1ccc(-c3nn[n-]n3)cn1)CCC2 ZINC000824371489 609150026 /nfs/dbraw/zinc/15/00/26/609150026.db2.gz HTCQTCLGCXQLNM-ZDUSSCGKSA-N -1 3 324.392 2.529 20 0 DFADHM CC[C@@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000825182527 609171722 /nfs/dbraw/zinc/17/17/22/609171722.db2.gz KQDIUDSWDHIAQR-GXTWGEPZSA-N -1 3 301.394 2.792 20 0 DFADHM CC[C@@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000825182527 609171723 /nfs/dbraw/zinc/17/17/23/609171723.db2.gz KQDIUDSWDHIAQR-GXTWGEPZSA-N -1 3 301.394 2.792 20 0 DFADHM CC[C@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000825182528 609171938 /nfs/dbraw/zinc/17/19/38/609171938.db2.gz KQDIUDSWDHIAQR-JSGCOSHPSA-N -1 3 301.394 2.792 20 0 DFADHM CC[C@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000825182528 609171939 /nfs/dbraw/zinc/17/19/39/609171939.db2.gz KQDIUDSWDHIAQR-JSGCOSHPSA-N -1 3 301.394 2.792 20 0 DFADHM c1ccc(CSCCOc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826522154 609184858 /nfs/dbraw/zinc/18/48/58/609184858.db2.gz OGVVIKXUSWPTQG-UHFFFAOYSA-N -1 3 313.386 2.574 20 0 DFADHM c1ccc(CSCCOc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826522154 609184859 /nfs/dbraw/zinc/18/48/59/609184859.db2.gz OGVVIKXUSWPTQG-UHFFFAOYSA-N -1 3 313.386 2.574 20 0 DFADHM Cc1ccccc1[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC000826306076 609211768 /nfs/dbraw/zinc/21/17/68/609211768.db2.gz PMNVFRBRDSEHTR-OAHLLOKOSA-N -1 3 324.388 2.630 20 0 DFADHM Cc1ccccc1[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC000826306076 609211770 /nfs/dbraw/zinc/21/17/70/609211770.db2.gz PMNVFRBRDSEHTR-OAHLLOKOSA-N -1 3 324.388 2.630 20 0 DFADHM CC(C)(CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000824157760 609230274 /nfs/dbraw/zinc/23/02/74/609230274.db2.gz KNDIRTASACSMBV-UHFFFAOYSA-N -1 3 316.409 2.531 20 0 DFADHM CC(C)(CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000824157760 609230276 /nfs/dbraw/zinc/23/02/76/609230276.db2.gz KNDIRTASACSMBV-UHFFFAOYSA-N -1 3 316.409 2.531 20 0 DFADHM CCc1nn(C)cc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825762977 609254689 /nfs/dbraw/zinc/25/46/89/609254689.db2.gz MMWQOQYBUABLGP-OAHLLOKOSA-N -1 3 323.404 2.652 20 0 DFADHM CCc1nn(C)cc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825762977 609254691 /nfs/dbraw/zinc/25/46/91/609254691.db2.gz MMWQOQYBUABLGP-OAHLLOKOSA-N -1 3 323.404 2.652 20 0 DFADHM O=c1ccc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2o1 ZINC000826502067 609265120 /nfs/dbraw/zinc/26/51/20/609265120.db2.gz SXPFJPRZMKXLJX-UHFFFAOYSA-N -1 3 320.308 2.552 20 0 DFADHM O=c1ccc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2o1 ZINC000826502067 609265122 /nfs/dbraw/zinc/26/51/22/609265122.db2.gz SXPFJPRZMKXLJX-UHFFFAOYSA-N -1 3 320.308 2.552 20 0 DFADHM Cc1cc2c(cc1NCc1cccc(-c3nnn[n-]3)c1)OCO2 ZINC000826273210 609278248 /nfs/dbraw/zinc/27/82/48/609278248.db2.gz ULJADXRLBVYJHU-UHFFFAOYSA-N -1 3 309.329 2.516 20 0 DFADHM Cc1cc2c(cc1NCc1cccc(-c3nn[n-]n3)c1)OCO2 ZINC000826273210 609278250 /nfs/dbraw/zinc/27/82/50/609278250.db2.gz ULJADXRLBVYJHU-UHFFFAOYSA-N -1 3 309.329 2.516 20 0 DFADHM O=C(NCc1ccsc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826443462 609289167 /nfs/dbraw/zinc/28/91/67/609289167.db2.gz PZUOVOJPMDPRBI-UHFFFAOYSA-N -1 3 319.777 2.512 20 0 DFADHM O=C(NCc1ccsc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826443462 609289168 /nfs/dbraw/zinc/28/91/68/609289168.db2.gz PZUOVOJPMDPRBI-UHFFFAOYSA-N -1 3 319.777 2.512 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccc2c(c1)COC2 ZINC000826255476 609327763 /nfs/dbraw/zinc/32/77/63/609327763.db2.gz ZCGPQWJCVSCKGO-UHFFFAOYSA-N -1 3 308.341 2.784 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000824796850 609392566 /nfs/dbraw/zinc/39/25/66/609392566.db2.gz SUPCABUNOCTYJL-NSHDSACASA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000824796850 609392568 /nfs/dbraw/zinc/39/25/68/609392568.db2.gz SUPCABUNOCTYJL-NSHDSACASA-N -1 3 318.352 2.875 20 0 DFADHM O=C(Nc1cc(Cl)cc(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826451372 609407314 /nfs/dbraw/zinc/40/73/14/609407314.db2.gz DARUEIRCUMKQRA-UHFFFAOYSA-N -1 3 323.143 2.754 20 0 DFADHM O=C(Nc1cc(Cl)cc(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826451372 609407315 /nfs/dbraw/zinc/40/73/15/609407315.db2.gz DARUEIRCUMKQRA-UHFFFAOYSA-N -1 3 323.143 2.754 20 0 DFADHM Clc1ccccc1-c1noc(-c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC000826353356 609411618 /nfs/dbraw/zinc/41/16/18/609411618.db2.gz MAJKBWQAZCYVRG-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM Clc1ccccc1-c1noc(-c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC000826353356 609411620 /nfs/dbraw/zinc/41/16/20/609411620.db2.gz MAJKBWQAZCYVRG-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCCc1cccs1 ZINC000824019586 609420226 /nfs/dbraw/zinc/42/02/26/609420226.db2.gz HIKDLHYESVZSIS-UHFFFAOYSA-N -1 3 313.386 2.785 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCCc1cccs1 ZINC000824019586 609420228 /nfs/dbraw/zinc/42/02/28/609420228.db2.gz HIKDLHYESVZSIS-UHFFFAOYSA-N -1 3 313.386 2.785 20 0 DFADHM C[C@H](Nc1cccc2c1OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662682 609441545 /nfs/dbraw/zinc/44/15/45/609441545.db2.gz PLAWBIXVJMCRBQ-JTQLQIEISA-N -1 3 309.329 2.769 20 0 DFADHM C[C@H](Nc1cccc2c1OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662682 609441547 /nfs/dbraw/zinc/44/15/47/609441547.db2.gz PLAWBIXVJMCRBQ-JTQLQIEISA-N -1 3 309.329 2.769 20 0 DFADHM COC(=O)[C@H](CC(C)(C)C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000826103433 609448329 /nfs/dbraw/zinc/44/83/29/609448329.db2.gz GOJZTAIDFSJCPL-LBPRGKRZSA-N -1 3 320.418 2.937 20 0 DFADHM COC(=O)[C@H](CC(C)(C)C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000826103433 609448331 /nfs/dbraw/zinc/44/83/31/609448331.db2.gz GOJZTAIDFSJCPL-LBPRGKRZSA-N -1 3 320.418 2.937 20 0 DFADHM CCc1c(C)sc(NC(=O)CC[C@H](C)OC)c1-c1nnn[n-]1 ZINC000825687946 609457201 /nfs/dbraw/zinc/45/72/01/609457201.db2.gz OOGKCDNUISONFS-QMMMGPOBSA-N -1 3 323.422 2.553 20 0 DFADHM CCc1c(C)sc(NC(=O)CC[C@H](C)OC)c1-c1nn[n-]n1 ZINC000825687946 609457203 /nfs/dbraw/zinc/45/72/03/609457203.db2.gz OOGKCDNUISONFS-QMMMGPOBSA-N -1 3 323.422 2.553 20 0 DFADHM CC(C)OCCCC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824309673 609468740 /nfs/dbraw/zinc/46/87/40/609468740.db2.gz URTYQAUKPDEGNK-UHFFFAOYSA-N -1 3 323.784 2.664 20 0 DFADHM CC(C)OCCCC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824309673 609468742 /nfs/dbraw/zinc/46/87/42/609468742.db2.gz URTYQAUKPDEGNK-UHFFFAOYSA-N -1 3 323.784 2.664 20 0 DFADHM CCc1nnc(COc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000825767321 609485525 /nfs/dbraw/zinc/48/55/25/609485525.db2.gz JYWVKRSCZUQXSW-UHFFFAOYSA-N -1 3 322.781 2.513 20 0 DFADHM CCc1nnc(COc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000825767321 609485526 /nfs/dbraw/zinc/48/55/26/609485526.db2.gz JYWVKRSCZUQXSW-UHFFFAOYSA-N -1 3 322.781 2.513 20 0 DFADHM Fc1ccc2c(c1)CCN(Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC000826375750 609487865 /nfs/dbraw/zinc/48/78/65/609487865.db2.gz AMZUTJPXBVIQJC-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1ccc2c(c1)CCN(Cc1ccc(-c3nn[n-]n3)s1)C2 ZINC000826375750 609487867 /nfs/dbraw/zinc/48/78/67/609487867.db2.gz AMZUTJPXBVIQJC-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM CCOc1cccc(COc2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000825649761 609489189 /nfs/dbraw/zinc/48/91/89/609489189.db2.gz XGAJMXOKRRIBED-UHFFFAOYSA-N -1 3 311.345 2.548 20 0 DFADHM CCOc1cccc(COc2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000825649761 609489190 /nfs/dbraw/zinc/48/91/90/609489190.db2.gz XGAJMXOKRRIBED-UHFFFAOYSA-N -1 3 311.345 2.548 20 0 DFADHM CCc1nnc(COc2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000825767596 609489846 /nfs/dbraw/zinc/48/98/46/609489846.db2.gz MOWBATWNWSWXNZ-UHFFFAOYSA-N -1 3 322.781 2.513 20 0 DFADHM CCc1nnc(COc2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000825767596 609489848 /nfs/dbraw/zinc/48/98/48/609489848.db2.gz MOWBATWNWSWXNZ-UHFFFAOYSA-N -1 3 322.781 2.513 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC(C)(C)C1 ZINC000824974720 609494527 /nfs/dbraw/zinc/49/45/27/609494527.db2.gz DVJKMOKJAWSKGQ-NSHDSACASA-N -1 3 314.393 2.767 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000824974720 609494528 /nfs/dbraw/zinc/49/45/28/609494528.db2.gz DVJKMOKJAWSKGQ-NSHDSACASA-N -1 3 314.393 2.767 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccccc1 ZINC000826186136 609499605 /nfs/dbraw/zinc/49/96/05/609499605.db2.gz HBZAXAHPMDEBNA-LLVKDONJSA-N -1 3 323.356 2.618 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccccc1 ZINC000826186136 609499608 /nfs/dbraw/zinc/49/96/08/609499608.db2.gz HBZAXAHPMDEBNA-LLVKDONJSA-N -1 3 323.356 2.618 20 0 DFADHM C[C@H](OC(=O)[C@@H]1CCC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824714452 609503991 /nfs/dbraw/zinc/50/39/91/609503991.db2.gz NEAFJLQSUSTGRE-COPLHBTASA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H](OC(=O)[C@@H]1CCC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824714452 609503993 /nfs/dbraw/zinc/50/39/93/609503993.db2.gz NEAFJLQSUSTGRE-COPLHBTASA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H]1C[C@H](C(=O)Nc2sccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824875699 609507729 /nfs/dbraw/zinc/50/77/29/609507729.db2.gz NUADHQAZDJVCCP-MYJAWHEDSA-N -1 3 305.407 2.939 20 0 DFADHM C[C@H]1C[C@H](C(=O)Nc2sccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824875699 609507730 /nfs/dbraw/zinc/50/77/30/609507730.db2.gz NUADHQAZDJVCCP-MYJAWHEDSA-N -1 3 305.407 2.939 20 0 DFADHM Cc1ccncc1C=CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826315293 609508818 /nfs/dbraw/zinc/50/88/18/609508818.db2.gz FLBJJNRHCRJYNN-VOTSOKGWSA-N -1 3 320.356 2.530 20 0 DFADHM Cc1ccncc1C=CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826315293 609508821 /nfs/dbraw/zinc/50/88/21/609508821.db2.gz FLBJJNRHCRJYNN-VOTSOKGWSA-N -1 3 320.356 2.530 20 0 DFADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C1=CCC1 ZINC000826460705 609509522 /nfs/dbraw/zinc/50/95/22/609509522.db2.gz OANZJAFHBNLTSQ-UHFFFAOYSA-N -1 3 315.402 2.856 20 0 DFADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C1=CCC1 ZINC000826460705 609509524 /nfs/dbraw/zinc/50/95/24/609509524.db2.gz OANZJAFHBNLTSQ-UHFFFAOYSA-N -1 3 315.402 2.856 20 0 DFADHM Cc1c(Cl)cnc(NCCc2ccccc2)c1-c1nnn[n-]1 ZINC000826240193 609518290 /nfs/dbraw/zinc/51/82/90/609518290.db2.gz ICDYLJIRMOLNAN-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1c(Cl)cnc(NCCc2ccccc2)c1-c1nn[n-]n1 ZINC000826240193 609518292 /nfs/dbraw/zinc/51/82/92/609518292.db2.gz ICDYLJIRMOLNAN-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1ccnc(NCCc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826314498 609519370 /nfs/dbraw/zinc/51/93/70/609519370.db2.gz ZWEUCGXOJDMGHD-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1ccnc(NCCc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826314498 609519371 /nfs/dbraw/zinc/51/93/71/609519371.db2.gz ZWEUCGXOJDMGHD-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM COc1ccccc1[C@@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000826218488 609520033 /nfs/dbraw/zinc/52/00/33/609520033.db2.gz DHNKKGAPLSTPRN-LLVKDONJSA-N -1 3 310.361 2.752 20 0 DFADHM COc1ccccc1[C@@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000826218488 609520035 /nfs/dbraw/zinc/52/00/35/609520035.db2.gz DHNKKGAPLSTPRN-LLVKDONJSA-N -1 3 310.361 2.752 20 0 DFADHM Cc1ccnc(NCc2ccc([C@H]3C[C@@H]3C)o2)c1-c1nnn[n-]1 ZINC000826314229 609537914 /nfs/dbraw/zinc/53/79/14/609537914.db2.gz MBVPMWFCTSGSFN-JQWIXIFHSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1ccnc(NCc2ccc([C@H]3C[C@@H]3C)o2)c1-c1nn[n-]n1 ZINC000826314229 609537916 /nfs/dbraw/zinc/53/79/16/609537916.db2.gz MBVPMWFCTSGSFN-JQWIXIFHSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccccn2)c1-c1nnn[n-]1 ZINC000826239059 609541597 /nfs/dbraw/zinc/54/15/97/609541597.db2.gz XDDKROHHCWTPJZ-VIFPVBQESA-N -1 3 315.768 2.792 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccccn2)c1-c1nn[n-]n1 ZINC000826239059 609541599 /nfs/dbraw/zinc/54/15/99/609541599.db2.gz XDDKROHHCWTPJZ-VIFPVBQESA-N -1 3 315.768 2.792 20 0 DFADHM CCOc1ccccc1CCNc1nccc(C)c1-c1nnn[n-]1 ZINC000825654155 609546067 /nfs/dbraw/zinc/54/60/67/609546067.db2.gz PXCSDMDVNJTCFS-UHFFFAOYSA-N -1 3 324.388 2.623 20 0 DFADHM CCOc1ccccc1CCNc1nccc(C)c1-c1nn[n-]n1 ZINC000825654155 609546069 /nfs/dbraw/zinc/54/60/69/609546069.db2.gz PXCSDMDVNJTCFS-UHFFFAOYSA-N -1 3 324.388 2.623 20 0 DFADHM Cc1c(Cl)cnc(Nc2cnn(C(C)C)c2)c1-c1nnn[n-]1 ZINC000826240119 609546877 /nfs/dbraw/zinc/54/68/77/609546877.db2.gz CVWMTPCVVGVQCU-UHFFFAOYSA-N -1 3 318.772 2.745 20 0 DFADHM Cc1c(Cl)cnc(Nc2cnn(C(C)C)c2)c1-c1nn[n-]n1 ZINC000826240119 609546879 /nfs/dbraw/zinc/54/68/79/609546879.db2.gz CVWMTPCVVGVQCU-UHFFFAOYSA-N -1 3 318.772 2.745 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)s1 ZINC000826287108 609557468 /nfs/dbraw/zinc/55/74/68/609557468.db2.gz CSSFYRHSDYSQHT-JTQLQIEISA-N -1 3 314.418 2.983 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)s1 ZINC000826287108 609557470 /nfs/dbraw/zinc/55/74/70/609557470.db2.gz CSSFYRHSDYSQHT-JTQLQIEISA-N -1 3 314.418 2.983 20 0 DFADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)[C@@H]1CCCOC1 ZINC000824651153 609561765 /nfs/dbraw/zinc/56/17/65/609561765.db2.gz WUHWZEKPSBDVLY-VXGBXAGGSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)[C@@H]1CCCOC1 ZINC000824651153 609561767 /nfs/dbraw/zinc/56/17/67/609561767.db2.gz WUHWZEKPSBDVLY-VXGBXAGGSA-N -1 3 324.388 2.642 20 0 DFADHM Cc1ccnc(NC[C@@H](c2cccnc2)C(C)C)c1-c1nnn[n-]1 ZINC000826312387 609573090 /nfs/dbraw/zinc/57/30/90/609573090.db2.gz CONLPJYNDVCNRN-CQSZACIVSA-N -1 3 323.404 2.817 20 0 DFADHM Cc1ccnc(NC[C@@H](c2cccnc2)C(C)C)c1-c1nn[n-]n1 ZINC000826312387 609573092 /nfs/dbraw/zinc/57/30/92/609573092.db2.gz CONLPJYNDVCNRN-CQSZACIVSA-N -1 3 323.404 2.817 20 0 DFADHM Cc1ccnc(N2CCC[C@H]2CCC(C)C)c1-c1nnn[n-]1 ZINC000826310289 609578515 /nfs/dbraw/zinc/57/85/15/609578515.db2.gz QZMHCTKUXCODPH-ZDUSSCGKSA-N -1 3 300.410 2.975 20 0 DFADHM Cc1ccnc(N2CCC[C@H]2CCC(C)C)c1-c1nn[n-]n1 ZINC000826310289 609578518 /nfs/dbraw/zinc/57/85/18/609578518.db2.gz QZMHCTKUXCODPH-ZDUSSCGKSA-N -1 3 300.410 2.975 20 0 DFADHM Clc1cc(NCC[C@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC000826350728 609581582 /nfs/dbraw/zinc/58/15/82/609581582.db2.gz ITGNVLJSHKRNAO-LLVKDONJSA-N -1 3 307.785 2.891 20 0 DFADHM Clc1cc(NCC[C@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC000826350728 609581583 /nfs/dbraw/zinc/58/15/83/609581583.db2.gz ITGNVLJSHKRNAO-LLVKDONJSA-N -1 3 307.785 2.891 20 0 DFADHM COc1ccccc1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826219608 609583207 /nfs/dbraw/zinc/58/32/07/609583207.db2.gz JUUMVESXCOGZJK-UHFFFAOYSA-N -1 3 310.357 2.887 20 0 DFADHM COc1ccccc1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826219608 609583208 /nfs/dbraw/zinc/58/32/08/609583208.db2.gz JUUMVESXCOGZJK-UHFFFAOYSA-N -1 3 310.357 2.887 20 0 DFADHM C[C@@H]1CC(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000824877632 609588155 /nfs/dbraw/zinc/58/81/55/609588155.db2.gz ZKFUMTTZSFFLMB-RYUDHWBXSA-N -1 3 313.405 2.902 20 0 DFADHM C[C@@H]1CC(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824877632 609588157 /nfs/dbraw/zinc/58/81/57/609588157.db2.gz ZKFUMTTZSFFLMB-RYUDHWBXSA-N -1 3 313.405 2.902 20 0 DFADHM CS[C@@H](CNc1nc(C)ccc1-c1nnn[n-]1)C(C)(C)C ZINC000826226152 609591214 /nfs/dbraw/zinc/59/12/14/609591214.db2.gz SWSGTTIRQKZNHI-NSHDSACASA-N -1 3 306.439 2.760 20 0 DFADHM CS[C@@H](CNc1nc(C)ccc1-c1nn[n-]n1)C(C)(C)C ZINC000826226152 609591216 /nfs/dbraw/zinc/59/12/16/609591216.db2.gz SWSGTTIRQKZNHI-NSHDSACASA-N -1 3 306.439 2.760 20 0 DFADHM C[C@@H]1C[C@H](CCNc2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824885926 609596156 /nfs/dbraw/zinc/59/61/56/609596156.db2.gz VFEGLKCDJTWPFG-GHMZBOCLSA-N -1 3 305.357 2.623 20 0 DFADHM C[C@@H]1C[C@H](CCNc2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824885926 609596158 /nfs/dbraw/zinc/59/61/58/609596158.db2.gz VFEGLKCDJTWPFG-GHMZBOCLSA-N -1 3 305.357 2.623 20 0 DFADHM C[C@@H]1C[C@@H](CCNc2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824883963 609596640 /nfs/dbraw/zinc/59/66/40/609596640.db2.gz KEIUWWFRVKVYBQ-ZJUUUORDSA-N -1 3 322.800 2.532 20 0 DFADHM C[C@@H]1C[C@@H](CCNc2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824883963 609596642 /nfs/dbraw/zinc/59/66/42/609596642.db2.gz KEIUWWFRVKVYBQ-ZJUUUORDSA-N -1 3 322.800 2.532 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825059250 609597037 /nfs/dbraw/zinc/59/70/37/609597037.db2.gz DLFIXUIIMNQNDU-ZYHUDNBSSA-N -1 3 302.378 2.901 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825059250 609597039 /nfs/dbraw/zinc/59/70/39/609597039.db2.gz DLFIXUIIMNQNDU-ZYHUDNBSSA-N -1 3 302.378 2.901 20 0 DFADHM CCC[C@@H](C)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825232941 609614238 /nfs/dbraw/zinc/61/42/38/609614238.db2.gz LNZZWCLLCBPDJB-SECBINFHSA-N -1 3 308.769 3.000 20 0 DFADHM CCC[C@@H](C)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825232941 609614239 /nfs/dbraw/zinc/61/42/39/609614239.db2.gz LNZZWCLLCBPDJB-SECBINFHSA-N -1 3 308.769 3.000 20 0 DFADHM C[C@H](CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)C1CC1 ZINC000824392359 609615677 /nfs/dbraw/zinc/61/56/77/609615677.db2.gz NBQHBHVHFHGAJD-SECBINFHSA-N -1 3 320.780 3.000 20 0 DFADHM C[C@H](CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)C1CC1 ZINC000824392359 609615678 /nfs/dbraw/zinc/61/56/78/609615678.db2.gz NBQHBHVHFHGAJD-SECBINFHSA-N -1 3 320.780 3.000 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@@H]1C[C@H]1C1CC1 ZINC000826465523 609618280 /nfs/dbraw/zinc/61/82/80/609618280.db2.gz QLCXZCKZYAIAIN-WCQYABFASA-N -1 3 318.764 2.609 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@@H]1C[C@H]1C1CC1 ZINC000826465523 609618281 /nfs/dbraw/zinc/61/82/81/609618281.db2.gz QLCXZCKZYAIAIN-WCQYABFASA-N -1 3 318.764 2.609 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825051597 609639302 /nfs/dbraw/zinc/63/93/02/609639302.db2.gz SCKZVOAJIHLVJA-KHPPLWFESA-N -1 3 316.361 2.665 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825051597 609639304 /nfs/dbraw/zinc/63/93/04/609639304.db2.gz SCKZVOAJIHLVJA-KHPPLWFESA-N -1 3 316.361 2.665 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000825060862 609640690 /nfs/dbraw/zinc/64/06/90/609640690.db2.gz UBTZXVBHDGRLKE-MNOVXSKESA-N -1 3 318.377 2.601 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000825060862 609640692 /nfs/dbraw/zinc/64/06/92/609640692.db2.gz UBTZXVBHDGRLKE-MNOVXSKESA-N -1 3 318.377 2.601 20 0 DFADHM CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cccc([O-])c1 ZINC000278275501 214060996 /nfs/dbraw/zinc/06/09/96/214060996.db2.gz ZGFUIUWANCFRPA-KRWDZBQOSA-N -1 3 305.374 2.730 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2c(C)[nH]nc2C(F)F)c1[O-] ZINC000272874151 210264908 /nfs/dbraw/zinc/26/49/08/210264908.db2.gz XBRCZBHTGUWJPG-UHFFFAOYSA-N -1 3 311.288 2.931 20 0 DFADHM C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccc2[O-])CC1=O ZINC000096589843 185384286 /nfs/dbraw/zinc/38/42/86/185384286.db2.gz CYPSDHRRRXXZQA-ZFWWWQNUSA-N -1 3 324.380 2.940 20 0 DFADHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000412962131 295664428 /nfs/dbraw/zinc/66/44/28/295664428.db2.gz VXRGXPFPHBWSRY-TZMCWYRMSA-N -1 3 319.401 2.750 20 0 DFADHM CN(C)CCN(Cc1cccs1)C(=O)c1ccc([O-])cc1F ZINC000181257152 199272116 /nfs/dbraw/zinc/27/21/16/199272116.db2.gz XXJDJEJBMFEEFW-UHFFFAOYSA-N -1 3 322.405 2.797 20 0 DFADHM CC1(C)CC[C@H](C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)O1 ZINC000278485139 214185344 /nfs/dbraw/zinc/18/53/44/214185344.db2.gz GGNHGQCUKSWOOJ-SNVBAGLBSA-N -1 3 322.315 2.646 20 0 DFADHM CC1(C)CC[C@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)O1 ZINC000278485139 214185346 /nfs/dbraw/zinc/18/53/46/214185346.db2.gz GGNHGQCUKSWOOJ-SNVBAGLBSA-N -1 3 322.315 2.646 20 0 DFADHM CC1(C)CC[C@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)O1 ZINC000278485139 214185349 /nfs/dbraw/zinc/18/53/49/214185349.db2.gz GGNHGQCUKSWOOJ-SNVBAGLBSA-N -1 3 322.315 2.646 20 0 DFADHM CC(C)(O)CON=C([O-])Nc1ccccc1CC(F)(F)F ZINC000278515871 214205195 /nfs/dbraw/zinc/20/51/95/214205195.db2.gz FVNIIDXDVDEXQP-UHFFFAOYSA-N -1 3 306.284 2.615 20 0 DFADHM CC(C)(O)CO[N-]C(=O)Nc1ccccc1CC(F)(F)F ZINC000278515871 214205197 /nfs/dbraw/zinc/20/51/97/214205197.db2.gz FVNIIDXDVDEXQP-UHFFFAOYSA-N -1 3 306.284 2.615 20 0 DFADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286554327 219051106 /nfs/dbraw/zinc/05/11/06/219051106.db2.gz HWGWLOKMCXKJAB-IUCAKERBSA-N -1 3 310.341 2.813 20 0 DFADHM CCCC[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)OC ZINC000078983530 185139689 /nfs/dbraw/zinc/13/96/89/185139689.db2.gz MHEYOYBNQAZAGT-NSHDSACASA-N -1 3 306.391 2.691 20 0 DFADHM O=C([O-])[C@@]1(NCc2sccc2Br)CCSC1 ZINC000309370910 231098577 /nfs/dbraw/zinc/09/85/77/231098577.db2.gz QLUCMYVTYQNKDT-SNVBAGLBSA-N -1 3 322.249 2.561 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3C[C@@H](C)OC(C)(C)C3)c(=O)c2c1 ZINC000278754335 214376465 /nfs/dbraw/zinc/37/64/65/214376465.db2.gz FNOJGIAKUGLJEH-GFCCVEGCSA-N -1 3 314.385 2.888 20 0 DFADHM Cc1cccc(OCCCNc2nc3nncc-3c(O)[n-]2)c1C ZINC000278764287 214384253 /nfs/dbraw/zinc/38/42/53/214384253.db2.gz KJOBENRZFJLETM-UHFFFAOYSA-N -1 3 313.361 2.556 20 0 DFADHM O=C([O-])[C@H](NCc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000320663101 231196995 /nfs/dbraw/zinc/19/69/95/231196995.db2.gz QWNKGOXFLPMUDM-QGZVFWFLSA-N -1 3 307.353 2.788 20 0 DFADHM CC[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C1CCOCC1 ZINC000330780619 529482042 /nfs/dbraw/zinc/48/20/42/529482042.db2.gz XDNSXHOOAZNCEF-HNNXBMFYSA-N -1 3 311.809 2.910 20 0 DFADHM Cc1cc([N-]S(=O)(=O)CCC2CC2)cnc1Br ZINC000272845735 210242631 /nfs/dbraw/zinc/24/26/31/210242631.db2.gz OXBZYUIDMYJTDU-UHFFFAOYSA-N -1 3 319.224 2.694 20 0 DFADHM O=S(=O)([N-]CC1(C2CC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000443724368 297225164 /nfs/dbraw/zinc/22/51/64/297225164.db2.gz YZJCBBSSXMPDIL-UHFFFAOYSA-N -1 3 305.321 2.572 20 0 DFADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000081458290 398351246 /nfs/dbraw/zinc/35/12/46/398351246.db2.gz JFMUASDXJVZJQW-LNLATYFQSA-N -1 3 301.264 2.917 20 0 DFADHM CCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)C[C@@H]1CCCO1 ZINC000459328502 299081868 /nfs/dbraw/zinc/08/18/68/299081868.db2.gz QEUWVSIMVNEMQP-INIZCTEOSA-N -1 3 313.401 2.850 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)s1 ZINC000328725191 231321879 /nfs/dbraw/zinc/32/18/79/231321879.db2.gz BFSBRZDXQUJLPQ-IJLUTSLNSA-N -1 3 300.449 2.699 20 0 DFADHM COC(=O)C1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000234552463 398359706 /nfs/dbraw/zinc/35/97/06/398359706.db2.gz KBSXHALLSLWKGU-UHFFFAOYSA-N -1 3 311.765 2.507 20 0 DFADHM O=S(=O)([N-]CCc1ccco1)c1ccc(Cl)cc1F ZINC000007310193 398361215 /nfs/dbraw/zinc/36/12/15/398361215.db2.gz ZXGBRHUPULSPML-UHFFFAOYSA-N -1 3 303.742 2.593 20 0 DFADHM C[C@H](O)[C@@H]1CCCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459342771 299083433 /nfs/dbraw/zinc/08/34/33/299083433.db2.gz HFPUZSWMQHPZCM-BBRMVZONSA-N -1 3 313.401 2.585 20 0 DFADHM CCc1cccc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c1[O-] ZINC000081800273 398370455 /nfs/dbraw/zinc/37/04/55/398370455.db2.gz HHWAHMPXLJXRBO-NSHDSACASA-N -1 3 315.417 2.666 20 0 DFADHM O=c1cc(CN2CCS[C@@H]3CCCC[C@H]32)nc(C2CC2)[n-]1 ZINC000459346759 299085101 /nfs/dbraw/zinc/08/51/01/299085101.db2.gz QITGDPPOUVCBAH-ZIAGYGMSSA-N -1 3 305.447 2.920 20 0 DFADHM Cc1ccccc1CC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000010512391 398378693 /nfs/dbraw/zinc/37/86/93/398378693.db2.gz ARVDRCIMOGZPNZ-UHFFFAOYSA-N -1 3 311.353 2.794 20 0 DFADHM O=C([N-]c1cnoc1)c1csc(I)c1 ZINC000082563382 398379025 /nfs/dbraw/zinc/37/90/25/398379025.db2.gz UVFMXUVHFPUZGI-UHFFFAOYSA-N -1 3 320.111 2.593 20 0 DFADHM COc1ccc(C(=O)NCCCOC2CCCCC2)c([O-])c1 ZINC000011355615 398381664 /nfs/dbraw/zinc/38/16/64/398381664.db2.gz YNMGUAYUWGFHBE-UHFFFAOYSA-N -1 3 307.390 2.870 20 0 DFADHM COc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)c([O-])c1 ZINC000011506900 398383034 /nfs/dbraw/zinc/38/30/34/398383034.db2.gz GSOMWBIPIYMMCU-UHFFFAOYSA-N -1 3 323.295 2.932 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2noc(C)n2)c1 ZINC000331848302 529691388 /nfs/dbraw/zinc/69/13/88/529691388.db2.gz QRRKFGIIZIPCLB-CYBMUJFWSA-N -1 3 301.346 2.623 20 0 DFADHM CC[C@@]1(C)COCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459388425 299094426 /nfs/dbraw/zinc/09/44/26/299094426.db2.gz KVRUXWUGWAFCJM-SFHVURJKSA-N -1 3 313.401 2.850 20 0 DFADHM CC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1c(C)nn(C)c1C ZINC000459402470 299097325 /nfs/dbraw/zinc/09/73/25/299097325.db2.gz JQBBWXXNSUGXSW-AWEZNQCLSA-N -1 3 315.421 2.651 20 0 DFADHM CC[C@@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)[C@@H]1CCCO1 ZINC000459403838 299097587 /nfs/dbraw/zinc/09/75/87/299097587.db2.gz LSGSRASAZCRHRE-CVEARBPZSA-N -1 3 313.401 2.896 20 0 DFADHM CCCCCS(=O)(=O)[N-][C@@H](COC)c1ccc(CC)o1 ZINC000181409290 199293143 /nfs/dbraw/zinc/29/31/43/199293143.db2.gz GTFSJSFHJMINQW-ZDUSSCGKSA-N -1 3 303.424 2.639 20 0 DFADHM C[C@@]1(c2nc(-c3cc(=O)[n-]cn3)no2)CCCc2ccccc21 ZINC000584719308 398402025 /nfs/dbraw/zinc/40/20/25/398402025.db2.gz FJKUUQRUXAJCNQ-QGZVFWFLSA-N -1 3 308.341 2.875 20 0 DFADHM Cc1cnccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000084505045 398402879 /nfs/dbraw/zinc/40/28/79/398402879.db2.gz VABLTWDPQDVGGV-UHFFFAOYSA-N -1 3 318.398 2.904 20 0 DFADHM Cc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c([O-])c1 ZINC000017409995 398404084 /nfs/dbraw/zinc/40/40/84/398404084.db2.gz FYAAYZNRLWRVPG-UHFFFAOYSA-N -1 3 319.382 2.665 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1nccs1 ZINC000584761620 398407821 /nfs/dbraw/zinc/40/78/21/398407821.db2.gz RSVMMXIGBJXMOQ-VHSXEESVSA-N -1 3 324.418 2.949 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H]1CCOC2(CCC2)C1 ZINC000584761968 398407864 /nfs/dbraw/zinc/40/78/64/398407864.db2.gz MQUHCOGAJOPWPW-ZDUSSCGKSA-N -1 3 307.365 2.539 20 0 DFADHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc3nsnc32)o1 ZINC000019104666 398407158 /nfs/dbraw/zinc/40/71/58/398407158.db2.gz JHHBKRSPOCSZHV-VIFPVBQESA-N -1 3 323.399 2.632 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@@H](c2nc(C)cs2)C2CC2)n1 ZINC000181601070 199325354 /nfs/dbraw/zinc/32/53/54/199325354.db2.gz VGFSYQLVHHJGHN-CQSZACIVSA-N -1 3 304.419 2.750 20 0 DFADHM Cc1ccsc1CN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000584789192 398412829 /nfs/dbraw/zinc/41/28/29/398412829.db2.gz VQGSAGSLODLBCC-UHFFFAOYSA-N -1 3 303.387 2.702 20 0 DFADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000021623218 398413309 /nfs/dbraw/zinc/41/33/09/398413309.db2.gz XXLULEVSPAWJTD-QGZVFWFLSA-N -1 3 322.368 2.944 20 0 DFADHM CC(C)(C)OC(=O)NCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145357 398419793 /nfs/dbraw/zinc/41/97/93/398419793.db2.gz CGIJGRMOSHUJGM-UHFFFAOYSA-N -1 3 314.769 2.899 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCN(Cc3ccccc3C)CC2)c1 ZINC000023638428 398426033 /nfs/dbraw/zinc/42/60/33/398426033.db2.gz TWPHTHCGZUVZIK-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM O=c1cc(CN2CC[C@@H](CC(F)(F)F)C2)nc(C2CC2)[n-]1 ZINC000459428101 299103787 /nfs/dbraw/zinc/10/37/87/299103787.db2.gz OZTJWCZIOMYYBC-VIFPVBQESA-N -1 3 301.312 2.834 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC[C@@H](C(F)(F)F)C2)on1 ZINC000022910828 398421342 /nfs/dbraw/zinc/42/13/42/398421342.db2.gz QEBSPHOWSHPUCU-NXEZZACHSA-N -1 3 305.300 2.584 20 0 DFADHM CCOC(=O)c1nnc([N-]C(=O)c2occc2C(C)C)s1 ZINC000585745947 398444669 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CCN1CCC(NC(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000106903370 185461251 /nfs/dbraw/zinc/46/12/51/185461251.db2.gz RMOPAOBPBIQAPV-UHFFFAOYSA-N -1 3 317.216 2.913 20 0 DFADHM C[C@H]1CC(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)C[C@H](C)C1 ZINC000330831065 232099958 /nfs/dbraw/zinc/09/99/58/232099958.db2.gz URZJMPXKGUXOLM-VXGBXAGGSA-N -1 3 324.446 2.613 20 0 DFADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(C)c1 ZINC000068076876 398477154 /nfs/dbraw/zinc/47/71/54/398477154.db2.gz OMMNHBKWKIGOII-UHFFFAOYSA-N -1 3 319.382 2.835 20 0 DFADHM O=C([N-]c1nncs1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000181730952 199345340 /nfs/dbraw/zinc/34/53/40/199345340.db2.gz ZAYIPFASFNXLTO-UHFFFAOYSA-N -1 3 310.766 2.628 20 0 DFADHM CCn1nccc1C[N-]c1nnc([C@H]2Cc3ccccc3O2)o1 ZINC000181753081 199346854 /nfs/dbraw/zinc/34/68/54/199346854.db2.gz JWYDTEWSFYHBBL-CQSZACIVSA-N -1 3 311.345 2.574 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)CCn2cccc2)c1[O-] ZINC000588096301 398482528 /nfs/dbraw/zinc/48/25/28/398482528.db2.gz XQGYWQMCCLBBKT-UHFFFAOYSA-N -1 3 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Cc1cccc(C(=O)N2CC[C@@H](OCc3ccncc3)C2)c1[O-] ZINC000172093480 198038530 /nfs/dbraw/zinc/03/85/30/198038530.db2.gz DDZKXPDIOXTUEK-OAHLLOKOSA-N -1 3 312.369 2.527 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@@H](OCc3ccncc3)C2)c([O-])c1 ZINC000172093088 198038863 /nfs/dbraw/zinc/03/88/63/198038863.db2.gz ITUBMTJLZCAALY-OAHLLOKOSA-N -1 3 312.369 2.527 20 0 DFADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(SC(F)F)cc1 ZINC000172364686 198086215 /nfs/dbraw/zinc/08/62/15/198086215.db2.gz OWMTUWMPJUXNKB-SNVBAGLBSA-N -1 3 323.386 2.922 20 0 DFADHM Cc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1F ZINC000121441633 282809314 /nfs/dbraw/zinc/80/93/14/282809314.db2.gz SBUBANNWLSRSCF-UHFFFAOYSA-N -1 3 306.312 2.978 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1Cc2ccccc2S1 ZINC000073279134 398671371 /nfs/dbraw/zinc/67/13/71/398671371.db2.gz BNEBCJUKUUGGDN-AWEZNQCLSA-N -1 3 323.381 2.522 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1Cc2ccccc2S1 ZINC000073279134 398671368 /nfs/dbraw/zinc/67/13/68/398671368.db2.gz 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/nfs/dbraw/zinc/14/75/42/198147542.db2.gz AQLMBLJEEPPDNI-UHFFFAOYSA-N -1 3 319.386 2.511 20 0 DFADHM CCO[C@H](CC[N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000072715089 191221529 /nfs/dbraw/zinc/22/15/29/191221529.db2.gz DBHGFELHTXQLFT-CYBMUJFWSA-N -1 3 303.399 2.555 20 0 DFADHM CSCCO[N-]C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000280138723 215403858 /nfs/dbraw/zinc/40/38/58/215403858.db2.gz XAVJQHPEHIMJKZ-UHFFFAOYSA-N -1 3 301.795 2.714 20 0 DFADHM C[C@H]1C[C@H](N(C)C(=O)c2ccc3[n-]c(=S)oc3c2)CCN1C ZINC000173180463 198193149 /nfs/dbraw/zinc/19/31/49/198193149.db2.gz WPJMFSXKUXALSQ-CMPLNLGQSA-N -1 3 319.430 2.671 20 0 DFADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1c[n-]nn1 ZINC000173870775 198262731 /nfs/dbraw/zinc/26/27/31/198262731.db2.gz BNDVGVVYDBUISN-CYBMUJFWSA-N -1 3 302.378 2.721 20 0 DFADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cnn[n-]1 ZINC000173870775 198262733 /nfs/dbraw/zinc/26/27/33/198262733.db2.gz BNDVGVVYDBUISN-CYBMUJFWSA-N -1 3 302.378 2.721 20 0 DFADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cn[n-]n1 ZINC000173870775 198262734 /nfs/dbraw/zinc/26/27/34/198262734.db2.gz BNDVGVVYDBUISN-CYBMUJFWSA-N -1 3 302.378 2.721 20 0 DFADHM CCc1cnc(C[N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000173814650 198256104 /nfs/dbraw/zinc/25/61/04/198256104.db2.gz RTZGGWUERNFUAH-UHFFFAOYSA-N -1 3 316.835 2.837 20 0 DFADHM CC(C)(C)OC(=O)CN(CC1CC1)C(=O)c1cccc([O-])c1 ZINC000593814752 398692673 /nfs/dbraw/zinc/69/26/73/398692673.db2.gz DISYXVFRSBPTHJ-UHFFFAOYSA-N -1 3 305.374 2.586 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(C)cccc32)o1 ZINC000331989982 234358366 /nfs/dbraw/zinc/35/83/66/234358366.db2.gz UQGSAZVKYYWALV-CYBMUJFWSA-N -1 3 307.371 2.699 20 0 DFADHM Cc1noc([C@@H]2CCCCN2C(=O)c2cccc(C)c2[O-])n1 ZINC000331999131 234369082 /nfs/dbraw/zinc/36/90/82/234369082.db2.gz VYMMGCNYIVFNLY-ZDUSSCGKSA-N -1 3 301.346 2.759 20 0 DFADHM CCO[C@@H](CCNC(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000174281085 198314285 /nfs/dbraw/zinc/31/42/85/198314285.db2.gz GVTUEFRNETZEIC-HNNXBMFYSA-N -1 3 312.385 2.782 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(C(F)(F)F)CC2)on1 ZINC000174186353 198302989 /nfs/dbraw/zinc/30/29/89/198302989.db2.gz AUCYBPXJGVDVCW-VIFPVBQESA-N -1 3 305.300 2.584 20 0 DFADHM COC(=O)[C@H]1CC[C@H](C(=O)Nc2ccc([O-])cc2Cl)CC1 ZINC000597858055 398705274 /nfs/dbraw/zinc/70/52/74/398705274.db2.gz PPMUUGSYDPJWAQ-MGCOHNPYSA-N -1 3 311.765 2.964 20 0 DFADHM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000174880430 198397289 /nfs/dbraw/zinc/39/72/89/198397289.db2.gz AEHURROLTRMIDT-UHFFFAOYSA-N -1 3 320.320 2.905 20 0 DFADHM CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174894561 198398995 /nfs/dbraw/zinc/39/89/95/198398995.db2.gz SJFIALJVEVAENT-UHFFFAOYSA-N -1 3 312.341 2.773 20 0 DFADHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(F)c2)cc1F ZINC000126486706 282912612 /nfs/dbraw/zinc/91/26/12/282912612.db2.gz CUKMCUCMWPVOTA-UHFFFAOYSA-N -1 3 317.288 2.913 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccn(C(C)C)c1C ZINC000590983361 398711634 /nfs/dbraw/zinc/71/16/34/398711634.db2.gz GGYLXVFGCRPWGA-UHFFFAOYSA-N -1 3 318.377 2.838 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccn(C(C)C)c1C ZINC000590983361 398711639 /nfs/dbraw/zinc/71/16/39/398711639.db2.gz GGYLXVFGCRPWGA-UHFFFAOYSA-N -1 3 318.377 2.838 20 0 DFADHM C[C@H](CCO)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000127206226 282936003 /nfs/dbraw/zinc/93/60/03/282936003.db2.gz AWYAJWFRGDTMQM-CQSZACIVSA-N -1 3 313.397 2.678 20 0 DFADHM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2ccccc2[O-])C1 ZINC000176123381 198548522 /nfs/dbraw/zinc/54/85/22/198548522.db2.gz HCQVXBLBPJPVBD-QGZVFWFLSA-N -1 3 320.389 2.978 20 0 DFADHM Cc1ccc(CNCC(C)(C)C(=O)[O-])c(Br)c1 ZINC000277061510 213270074 /nfs/dbraw/zinc/27/00/74/213270074.db2.gz UHTANZPQYMNEHD-UHFFFAOYSA-N -1 3 300.196 2.958 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000594018893 398722771 /nfs/dbraw/zinc/72/27/71/398722771.db2.gz OGEXFJYYYSYZBE-UHFFFAOYSA-N -1 3 315.373 2.675 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000594018893 398722773 /nfs/dbraw/zinc/72/27/73/398722773.db2.gz OGEXFJYYYSYZBE-UHFFFAOYSA-N -1 3 315.373 2.675 20 0 DFADHM CCC[C@H](C)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461247874 299217820 /nfs/dbraw/zinc/21/78/20/299217820.db2.gz ZPAJTPGAXVVZRV-JTQLQIEISA-N -1 3 306.797 2.932 20 0 DFADHM CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000182850802 199500591 /nfs/dbraw/zinc/50/05/91/199500591.db2.gz UTKWYHXNSVOSGO-AWEZNQCLSA-N -1 3 315.369 2.511 20 0 DFADHM COc1cccc(C(=O)Nc2cccc(-c3nnco3)c2)c1[O-] ZINC000130089642 283039347 /nfs/dbraw/zinc/03/93/47/283039347.db2.gz RZMRJNZUNUOYNR-UHFFFAOYSA-N -1 3 311.297 2.703 20 0 DFADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cocn2)c1Cl ZINC000594040137 398727878 /nfs/dbraw/zinc/72/78/78/398727878.db2.gz MBZZREYYXMNOFB-UHFFFAOYSA-N -1 3 321.185 2.768 20 0 DFADHM COc1cc(C(=O)N(C)[C@@H]2C[C@](C)(OC)C2(C)C)ccc1[O-] ZINC000276993624 213226881 /nfs/dbraw/zinc/22/68/81/213226881.db2.gz XVSBNLNQFQDFTD-PBHICJAKSA-N -1 3 307.390 2.676 20 0 DFADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000130703484 283058365 /nfs/dbraw/zinc/05/83/65/283058365.db2.gz DWAFBUFYPAQMNM-MRVPVSSYSA-N -1 3 320.315 2.890 20 0 DFADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000130703484 283058369 /nfs/dbraw/zinc/05/83/69/283058369.db2.gz DWAFBUFYPAQMNM-MRVPVSSYSA-N -1 3 320.315 2.890 20 0 DFADHM NC(=O)CC1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCC1 ZINC000332481436 235018255 /nfs/dbraw/zinc/01/82/55/235018255.db2.gz VNLVVSJKYXOKJP-UHFFFAOYSA-N -1 3 320.773 2.605 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](C)[C@H]3CCCOC3)ccc2[n-]1 ZINC000332575625 235130825 /nfs/dbraw/zinc/13/08/25/235130825.db2.gz FOHBLVZKKTUTRQ-YPMHNXCESA-N -1 3 317.389 2.507 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](C)[C@H]3CCCOC3)cc2[n-]1 ZINC000332575625 235130834 /nfs/dbraw/zinc/13/08/34/235130834.db2.gz FOHBLVZKKTUTRQ-YPMHNXCESA-N -1 3 317.389 2.507 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000073512437 191322895 /nfs/dbraw/zinc/32/28/95/191322895.db2.gz ONJZEYDOUWPHMT-HUUCEWRRSA-N -1 3 323.331 2.748 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000073512437 191322898 /nfs/dbraw/zinc/32/28/98/191322898.db2.gz ONJZEYDOUWPHMT-HUUCEWRRSA-N -1 3 323.331 2.748 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCC[C@@](C)(OC)C3)ccc2[n-]1 ZINC000332571600 235124078 /nfs/dbraw/zinc/12/40/78/235124078.db2.gz DMRSTUAZCAOJJE-QGZVFWFLSA-N -1 3 317.389 2.603 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCC[C@@](C)(OC)C3)cc2[n-]1 ZINC000332571600 235124082 /nfs/dbraw/zinc/12/40/82/235124082.db2.gz DMRSTUAZCAOJJE-QGZVFWFLSA-N -1 3 317.389 2.603 20 0 DFADHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000332591095 235158428 /nfs/dbraw/zinc/15/84/28/235158428.db2.gz FGGNAGJXYWFYNP-OLZOCXBDSA-N -1 3 302.422 2.669 20 0 DFADHM Cn1nccc1NC(=O)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000131618006 283092250 /nfs/dbraw/zinc/09/22/50/283092250.db2.gz SLJVQFUDSOQZFP-UHFFFAOYSA-N -1 3 301.737 2.716 20 0 DFADHM Cn1nccc1NC(=O)c1cn[n-]c1-c1cccc(Cl)c1 ZINC000131618006 283092252 /nfs/dbraw/zinc/09/22/52/283092252.db2.gz SLJVQFUDSOQZFP-UHFFFAOYSA-N -1 3 301.737 2.716 20 0 DFADHM Cc1ccccc1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000074803960 191364315 /nfs/dbraw/zinc/36/43/15/191364315.db2.gz FHSQWIYFQIGVNP-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM Cc1ccccc1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000074803960 191364317 /nfs/dbraw/zinc/36/43/17/191364317.db2.gz FHSQWIYFQIGVNP-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM CCCC[C@H]([N-]S(=O)(=O)CCC1CC1)C(=O)OC(C)(C)C ZINC000462694088 299229752 /nfs/dbraw/zinc/22/97/52/299229752.db2.gz XYKHYKBSMWTMGR-ZDUSSCGKSA-N -1 3 319.467 2.606 20 0 DFADHM Cc1ccccc1CS(=O)(=O)[N-]Cc1cc(C(C)C)no1 ZINC000114499431 398745419 /nfs/dbraw/zinc/74/54/19/398745419.db2.gz PPEZEVWLBXEJDA-UHFFFAOYSA-N -1 3 308.403 2.726 20 0 DFADHM O=C(N[C@H]1CCC[C@@H](CO)C1)c1cc2c(cc1[O-])CCCC2 ZINC000332656606 235250396 /nfs/dbraw/zinc/25/03/96/235250396.db2.gz ZQAKWHQHPMSYJJ-DOMZBBRYSA-N -1 3 303.402 2.552 20 0 DFADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccco3)c2)n1 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20 0 DFADHM CSCCO[N-]C(=O)Nc1ccc(F)cc1OC(F)F ZINC000281422071 216288493 /nfs/dbraw/zinc/28/84/93/216288493.db2.gz PEJSSSXWVZIVBG-UHFFFAOYSA-N -1 3 310.297 2.843 20 0 DFADHM COc1cccc([C@H](CC(=O)[O-])NCc2scnc2C)c1 ZINC000417580767 296032719 /nfs/dbraw/zinc/03/27/19/296032719.db2.gz FYNQYFMAPOSSKV-ZDUSSCGKSA-N -1 3 306.387 2.766 20 0 DFADHM O=C([O-])[C@@H](NCc1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000417587785 296033208 /nfs/dbraw/zinc/03/32/08/296033208.db2.gz DSMNTNCKSXIBPV-UFBFGSQYSA-N -1 3 304.173 2.573 20 0 DFADHM CC(C)(C)OC[C@H](NCc1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000417588847 296033283 /nfs/dbraw/zinc/03/32/83/296033283.db2.gz CXXRZMOBCREVEM-LBPRGKRZSA-N -1 3 303.761 2.837 20 0 DFADHM C[C@@H](NCc1cccc(F)c1Br)[C@H](C)C(=O)[O-] ZINC000417600358 296034203 /nfs/dbraw/zinc/03/42/03/296034203.db2.gz GCSUPQJWTZLIHO-JGVFFNPUSA-N -1 3 304.159 2.787 20 0 DFADHM CC(C)(C)OC[C@H](NCc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000417598848 296034240 /nfs/dbraw/zinc/03/42/40/296034240.db2.gz ODXOVUJVZMYBSB-INIZCTEOSA-N -1 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ZINC000629770713 399722459 /nfs/dbraw/zinc/72/24/59/399722459.db2.gz BRZANFSDWZWKQP-GXTWGEPZSA-N -1 3 307.390 2.637 20 0 DFADHM CCOc1cc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1OC ZINC000629770716 399722513 /nfs/dbraw/zinc/72/25/13/399722513.db2.gz BRZANFSDWZWKQP-TZMCWYRMSA-N -1 3 307.390 2.637 20 0 DFADHM CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1c(C)cccc1[O-] ZINC000626024706 399724844 /nfs/dbraw/zinc/72/48/44/399724844.db2.gz SMYNFXMRRQLBPB-CABCVRRESA-N -1 3 302.418 2.790 20 0 DFADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000121071016 195290269 /nfs/dbraw/zinc/29/02/69/195290269.db2.gz WPOSTCKIYVKAQD-GFCCVEGCSA-N -1 3 307.357 2.999 20 0 DFADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000121071016 195290270 /nfs/dbraw/zinc/29/02/70/195290270.db2.gz WPOSTCKIYVKAQD-GFCCVEGCSA-N -1 3 307.357 2.999 20 0 DFADHM CCS[C@H]1CCC[C@H]1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000123061588 195539286 /nfs/dbraw/zinc/53/92/86/195539286.db2.gz LGYKQUQLKDNNGY-HIFRSBDPSA-N -1 3 322.430 2.755 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)n1 ZINC000632786027 399738674 /nfs/dbraw/zinc/73/86/74/399738674.db2.gz BMQAAKZVZGZABZ-QMMMGPOBSA-N -1 3 314.267 2.511 20 0 DFADHM CSc1ccc([O-])c(C(=O)N(C)CCc2nccs2)c1 ZINC000612908556 399748693 /nfs/dbraw/zinc/74/86/93/399748693.db2.gz GTBANMSRBKGANP-UHFFFAOYSA-N -1 3 308.428 2.885 20 0 DFADHM Cc1ccccc1-c1noc([C@H](C)SCCc2nnn[n-]2)n1 ZINC000603340077 399748655 /nfs/dbraw/zinc/74/86/55/399748655.db2.gz SODKBNXGZYMNEI-JTQLQIEISA-N -1 3 316.390 2.595 20 0 DFADHM Cc1ccccc1-c1noc([C@H](C)SCCc2nn[n-]n2)n1 ZINC000603340077 399748659 /nfs/dbraw/zinc/74/86/59/399748659.db2.gz SODKBNXGZYMNEI-JTQLQIEISA-N -1 3 316.390 2.595 20 0 DFADHM CC(C)(C)OC(=O)c1cccc(CSCCc2nnn[n-]2)c1 ZINC000603341253 399748784 /nfs/dbraw/zinc/74/87/84/399748784.db2.gz MUJZEJZFPVNIKN-UHFFFAOYSA-N -1 3 320.418 2.631 20 0 DFADHM CC(C)(C)OC(=O)c1cccc(CSCCc2nn[n-]n2)c1 ZINC000603341253 399748788 /nfs/dbraw/zinc/74/87/88/399748788.db2.gz MUJZEJZFPVNIKN-UHFFFAOYSA-N -1 3 320.418 2.631 20 0 DFADHM CC[C@H](C)c1ccc(C(=O)CSCCc2nnn[n-]2)cc1 ZINC000603339548 399749084 /nfs/dbraw/zinc/74/90/84/399749084.db2.gz ZJWSHBRYIPADDD-NSHDSACASA-N -1 3 304.419 2.872 20 0 DFADHM CC[C@H](C)c1ccc(C(=O)CSCCc2nn[n-]n2)cc1 ZINC000603339548 399749089 /nfs/dbraw/zinc/74/90/89/399749089.db2.gz ZJWSHBRYIPADDD-NSHDSACASA-N -1 3 304.419 2.872 20 0 DFADHM CCC[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1ccc(F)cc1F ZINC000626087441 399749658 /nfs/dbraw/zinc/74/96/58/399749658.db2.gz NWUGIPVMKSPJPH-GFCCVEGCSA-N -1 3 307.300 2.732 20 0 DFADHM C[C@@H](Nc1nc2nncc-2c(O)[n-]1)c1ccc(OC(F)F)cc1 ZINC000302263293 533564630 /nfs/dbraw/zinc/56/46/30/533564630.db2.gz DTLIBMXUYSZHKU-SSDOTTSWSA-N -1 3 321.287 2.833 20 0 DFADHM CN(CC(=O)Nc1ccc(Br)cc1[O-])C1CCC1 ZINC000629948801 399764166 /nfs/dbraw/zinc/76/41/66/399764166.db2.gz OAQLUXIENAAKKP-UHFFFAOYSA-N -1 3 313.195 2.578 20 0 DFADHM Cc1ccncc1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000617652075 399769733 /nfs/dbraw/zinc/76/97/33/399769733.db2.gz OAOUJGOKEAVLRF-UHFFFAOYSA-N -1 3 316.376 2.916 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000130504524 542631423 /nfs/dbraw/zinc/63/14/23/542631423.db2.gz IPALKZSQUCRCAS-SUMWQHHRSA-N -1 3 321.442 2.739 20 0 DFADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000621386364 399779032 /nfs/dbraw/zinc/77/90/32/399779032.db2.gz KYYYMIRPZSUNTJ-CQSZACIVSA-N -1 3 300.333 2.774 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000613027253 399779991 /nfs/dbraw/zinc/77/99/91/399779991.db2.gz KFRZFUGUIQRHRS-OCCSQVGLSA-N -1 3 320.364 2.651 20 0 DFADHM Cc1cc(F)c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1F ZINC000134709024 542650689 /nfs/dbraw/zinc/65/06/89/542650689.db2.gz OVYOCJOUOFDQKP-UHFFFAOYSA-N -1 3 306.194 2.662 20 0 DFADHM Cc1cc(F)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1F ZINC000134709024 542650690 /nfs/dbraw/zinc/65/06/90/542650690.db2.gz OVYOCJOUOFDQKP-UHFFFAOYSA-N -1 3 306.194 2.662 20 0 DFADHM O=C(c1cc(=O)[n-]cn1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000626183765 399788014 /nfs/dbraw/zinc/78/80/14/399788014.db2.gz SRHDSAOGAXALHE-HNNXBMFYSA-N -1 3 311.385 2.810 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)C1(C(F)(F)F)CC1 ZINC000603547130 399788262 /nfs/dbraw/zinc/78/82/62/399788262.db2.gz UJQJLSCIHGDCRP-UHFFFAOYSA-N -1 3 314.242 2.892 20 0 DFADHM CCc1nn(C)c(Cl)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000162590845 542737770 /nfs/dbraw/zinc/73/77/70/542737770.db2.gz ATTAIPNNIQIKIF-UHFFFAOYSA-N -1 3 321.740 2.677 20 0 DFADHM CCOc1nc2cc(C(=O)N(C[C@H](C)OC)C(C)C)ccc2[n-]1 ZINC000630027884 399795044 /nfs/dbraw/zinc/79/50/44/399795044.db2.gz ZTVAVTJABCQMEZ-LBPRGKRZSA-N -1 3 319.405 2.847 20 0 DFADHM CCOc1nc2ccc(C(=O)N(C[C@H](C)OC)C(C)C)cc2[n-]1 ZINC000630027884 399795048 /nfs/dbraw/zinc/79/50/48/399795048.db2.gz ZTVAVTJABCQMEZ-LBPRGKRZSA-N -1 3 319.405 2.847 20 0 DFADHM COc1ccc([C@H](C)N(C)C(=O)c2cc(F)c[n-]c2=O)cc1 ZINC000621434895 399795630 /nfs/dbraw/zinc/79/56/30/399795630.db2.gz PWWXXQBTRLDDAZ-JTQLQIEISA-N -1 3 304.321 2.768 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)cc1[O-] ZINC000613121135 399797633 /nfs/dbraw/zinc/79/76/33/399797633.db2.gz HXLIIKIDGVZXMG-HUUCEWRRSA-N -1 3 315.369 2.569 20 0 DFADHM COC(=O)c1ccc(COc2cc3occ([O-])c3c(C)c2)o1 ZINC000603677755 399797821 /nfs/dbraw/zinc/79/78/21/399797821.db2.gz ITUVOEDMEWRLAD-UHFFFAOYSA-N -1 3 302.282 2.529 20 0 DFADHM O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc2c(c1[O-])CCCC2 ZINC000183295770 542799344 /nfs/dbraw/zinc/79/93/44/542799344.db2.gz NRSKOSYHCMFLLU-XBXGTLAGSA-N -1 3 303.402 2.552 20 0 DFADHM COC(=O)c1cc(-c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)c[n-]1 ZINC000424225938 296494421 /nfs/dbraw/zinc/49/44/21/296494421.db2.gz QRUKOJLGVFZVQJ-ZYHUDNBSSA-N -1 3 319.361 2.770 20 0 DFADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000624918402 399809534 /nfs/dbraw/zinc/80/95/34/399809534.db2.gz MBIMWXYGEIBXBP-JTQLQIEISA-N -1 3 322.377 2.583 20 0 DFADHM CSc1nnc(NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)[n-]1 ZINC000624925209 399811734 /nfs/dbraw/zinc/81/17/34/399811734.db2.gz SFBRMQVSTTWHDT-JMJZKYOTSA-N -1 3 320.805 2.704 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)n1 ZINC000624925209 399811737 /nfs/dbraw/zinc/81/17/37/399811737.db2.gz SFBRMQVSTTWHDT-JMJZKYOTSA-N -1 3 320.805 2.704 20 0 DFADHM CSc1nc(NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)n[n-]1 ZINC000624925209 399811740 /nfs/dbraw/zinc/81/17/40/399811740.db2.gz SFBRMQVSTTWHDT-JMJZKYOTSA-N -1 3 320.805 2.704 20 0 DFADHM O=c1c2c([n-]n1Cc1ccccc1)CN(Cc1ccccc1)CC2 ZINC000199044376 542867731 /nfs/dbraw/zinc/86/77/31/542867731.db2.gz RCVFUUMZXLVLIM-GOSISDBHSA-N -1 3 319.408 2.907 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CCCC23CCN(C)CC3)c1 ZINC000613190680 399815094 /nfs/dbraw/zinc/81/50/94/399815094.db2.gz IPAZPBIVUQVXIJ-UHFFFAOYSA-N -1 3 320.458 2.815 20 0 DFADHM CC(=O)c1ccc(C(=O)NC2(C)Cc3ccccc3C2)cc1[O-] ZINC000613189731 399815188 /nfs/dbraw/zinc/81/51/88/399815188.db2.gz AQEAOZSULIQAPS-UHFFFAOYSA-N -1 3 309.365 2.882 20 0 DFADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1noc2c1CCCC2 ZINC000248517068 542935838 /nfs/dbraw/zinc/93/58/38/542935838.db2.gz HNJUTVOXSRGZBK-GLQYFDAESA-N -1 3 304.390 2.771 20 0 DFADHM Cc1cccc([O-])c1C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000624980357 399821676 /nfs/dbraw/zinc/82/16/76/399821676.db2.gz XEMQICAVTTZQIR-UHFFFAOYSA-N -1 3 312.369 2.814 20 0 DFADHM Cc1cn(CC(=O)Nc2c(C)cccc2[O-])nc1C(F)(F)F ZINC000626338899 399829571 /nfs/dbraw/zinc/82/95/71/399829571.db2.gz NDQZWWPIARDYNE-UHFFFAOYSA-N -1 3 313.279 2.863 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@@H](CC)c2ccc(F)cc2)[n-]1 ZINC000617874160 399823339 /nfs/dbraw/zinc/82/33/39/399823339.db2.gz ZCYDKKSWLHVJJI-LBPRGKRZSA-N -1 3 319.336 2.858 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@@H](CC)c2ccc(F)cc2)c[n-]1 ZINC000617874160 399823347 /nfs/dbraw/zinc/82/33/47/399823347.db2.gz ZCYDKKSWLHVJJI-LBPRGKRZSA-N -1 3 319.336 2.858 20 0 DFADHM Cc1cc(C(=O)NCc2cccc(N3CCCC3=O)c2)ccc1[O-] ZINC000272495582 542968702 /nfs/dbraw/zinc/96/87/02/542968702.db2.gz SHAHFWMPUZIXOM-UHFFFAOYSA-N -1 3 324.380 2.757 20 0 DFADHM O=C(c1cc([O-])c2ccccc2c1)N1CCN(CC2CC2)CC1 ZINC000279637756 542985140 /nfs/dbraw/zinc/98/51/40/542985140.db2.gz WISDWIPSHRPUNY-UHFFFAOYSA-N -1 3 310.397 2.713 20 0 DFADHM CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@@H](O)C(F)F ZINC000295403826 543031283 /nfs/dbraw/zinc/03/12/83/543031283.db2.gz HGYRRELMOJPZIG-TZMCWYRMSA-N -1 3 309.312 2.680 20 0 DFADHM CCn1nc(CN[C@H](C)[C@@H](C(=O)[O-])C(C)C)c2ccccc21 ZINC000424617617 296517374 /nfs/dbraw/zinc/51/73/74/296517374.db2.gz IIGPXAMWXNQWTL-WBMJQRKESA-N -1 3 303.406 2.891 20 0 DFADHM CC(C)N(C)c1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000348764753 285663338 /nfs/dbraw/zinc/66/33/38/285663338.db2.gz PIGBZDYVBTXKFQ-UHFFFAOYSA-N -1 3 314.389 2.954 20 0 DFADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000313239005 543067724 /nfs/dbraw/zinc/06/77/24/543067724.db2.gz PNOQEPLJBLFSEF-JTQLQIEISA-N -1 3 312.366 2.778 20 0 DFADHM C[C@H]1CN(Cc2cc(F)cc3cccnc32)CC[C@@H]1C(=O)[O-] ZINC000319290509 543079118 /nfs/dbraw/zinc/07/91/18/543079118.db2.gz FOWGSGALKAMUES-NHYWBVRUSA-N -1 3 302.349 2.917 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)c(F)c1F ZINC000625084085 399842228 /nfs/dbraw/zinc/84/22/28/399842228.db2.gz DAXGBDWQTVCHRX-SNVBAGLBSA-N -1 3 319.373 2.509 20 0 DFADHM N[C@@H](CC(=O)N1CCCc2cc(C(=O)[O-])ccc21)c1ccccc1 ZINC000324715602 543094876 /nfs/dbraw/zinc/09/48/76/543094876.db2.gz DPUXSGMRHUSSCX-INIZCTEOSA-N -1 3 324.380 2.754 20 0 DFADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H]1CCCO1 ZINC000329682459 543107814 /nfs/dbraw/zinc/10/78/14/543107814.db2.gz SLJVNNBYZUPLIR-CMPLNLGQSA-N -1 3 313.357 2.739 20 0 DFADHM CC(C)n1cc2cc([N-]S(=O)(=O)C[C@H]3CCCO3)ccc2n1 ZINC000329754620 543108336 /nfs/dbraw/zinc/10/83/36/543108336.db2.gz KXXKZBWUFWSFMO-CQSZACIVSA-N -1 3 323.418 2.538 20 0 DFADHM CC[C@@H](CNC(=O)c1csc(=O)[n-]1)Oc1ccccc1F ZINC000348897459 285715958 /nfs/dbraw/zinc/71/59/58/285715958.db2.gz CFUYSUXDJBWZFT-VIFPVBQESA-N -1 3 310.350 2.575 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)c([O-])c1 ZINC000333758983 543121560 /nfs/dbraw/zinc/12/15/60/543121560.db2.gz OTERDRYDMPAWRY-JKSUJKDBSA-N -1 3 303.402 2.714 20 0 DFADHM COc1ccc(NC(=O)[C@H](NC(=O)C(C)(C)C)C(C)C)c([O-])c1 ZINC000337109880 543127988 /nfs/dbraw/zinc/12/79/88/543127988.db2.gz VASPPQYZTAELAE-CQSZACIVSA-N -1 3 322.405 2.526 20 0 DFADHM CSc1ccc([C@@H](C)NC(=O)c2cc(C)nc(=O)[n-]2)cc1 ZINC000337099173 543128017 /nfs/dbraw/zinc/12/80/17/543128017.db2.gz CNMYLHRPEXVHJP-SNVBAGLBSA-N -1 3 303.387 2.704 20 0 DFADHM O=C1CCCN1[C@H]1CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625161324 399856413 /nfs/dbraw/zinc/85/64/13/399856413.db2.gz RQKZVFSCSVAOLH-ZDUSSCGKSA-N -1 3 308.809 2.632 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)C1C2CC3CC(C2)CC1C3 ZINC000625161531 399856441 /nfs/dbraw/zinc/85/64/41/399856441.db2.gz VSTZRHPNTWJSFU-UHFFFAOYSA-N -1 3 323.400 2.878 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C1C2CC3CC(C2)CC1C3 ZINC000625161531 399856443 /nfs/dbraw/zinc/85/64/43/399856443.db2.gz VSTZRHPNTWJSFU-UHFFFAOYSA-N -1 3 323.400 2.878 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C1C2CC3CC(C2)CC1C3 ZINC000625161531 399856444 /nfs/dbraw/zinc/85/64/44/399856444.db2.gz VSTZRHPNTWJSFU-UHFFFAOYSA-N -1 3 323.400 2.878 20 0 DFADHM CCC(CC)CNC(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O ZINC000343271379 543166381 /nfs/dbraw/zinc/16/63/81/543166381.db2.gz HAJPPMGZSSSSGF-UHFFFAOYSA-N -1 3 320.364 2.842 20 0 DFADHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000345949348 543177723 /nfs/dbraw/zinc/17/77/23/543177723.db2.gz JMIBJAFZXAITFE-VIFPVBQESA-N -1 3 322.352 2.957 20 0 DFADHM CCC[C@@]1([N-]S(=O)(=O)c2ccc(C)c(F)c2F)CCOC1 ZINC000625213628 399862125 /nfs/dbraw/zinc/86/21/25/399862125.db2.gz MSMHYFDVYMQTCZ-CQSZACIVSA-N -1 3 319.373 2.511 20 0 DFADHM O=C(NC[C@H](O)Cc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000345614791 543176645 /nfs/dbraw/zinc/17/66/45/543176645.db2.gz XEHIDOZLPHVZRU-QGZVFWFLSA-N -1 3 321.376 2.879 20 0 DFADHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C)c(F)c2F)CCO1 ZINC000625255275 399868017 /nfs/dbraw/zinc/86/80/17/399868017.db2.gz 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296637979 /nfs/dbraw/zinc/63/79/79/296637979.db2.gz GLDJMWOSZMWXAK-QGZVFWFLSA-N -1 3 315.417 2.695 20 0 DFADHM Cc1cnn(C[C@@H](NCc2ccc(CC(C)C)cc2)C(=O)[O-])c1 ZINC000426722748 296637898 /nfs/dbraw/zinc/63/78/98/296637898.db2.gz INSICWHZCRERLR-QGZVFWFLSA-N -1 3 315.417 2.633 20 0 DFADHM Cc1ccc(C(=O)N2CC(O)(c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000375008403 150382701 /nfs/dbraw/zinc/38/27/01/150382701.db2.gz NEQXCYRMKPRJGQ-UHFFFAOYSA-N -1 3 317.772 2.698 20 0 DFADHM CN1CC[C@@H]2CCN(C(=O)c3cc4ccccc4cc3[O-])C[C@H]21 ZINC000375053057 150393557 /nfs/dbraw/zinc/39/35/57/150393557.db2.gz FBWYPLMWAVNUIS-CXAGYDPISA-N -1 3 310.397 2.712 20 0 DFADHM CN(C)c1cccc([C@H]2CCCN2C(=O)c2csc(=O)[n-]2)c1 ZINC000375067900 150395290 /nfs/dbraw/zinc/39/52/90/150395290.db2.gz FLJVPDLIDOCFBM-CQSZACIVSA-N -1 3 317.414 2.892 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000375069824 150397394 /nfs/dbraw/zinc/39/73/94/150397394.db2.gz XMEXHMUSTKNLGX-GFCCVEGCSA-N -1 3 324.789 2.716 20 0 DFADHM 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CC(=O)c1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)ccc1C ZINC000193895706 268083099 /nfs/dbraw/zinc/08/30/99/268083099.db2.gz ZJJQVKDHSNJDHR-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM CC(=O)c1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)ccc1C ZINC000193895706 268083101 /nfs/dbraw/zinc/08/31/01/268083101.db2.gz ZJJQVKDHSNJDHR-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2cccc3cccnc32)c1 ZINC000194447309 268103042 /nfs/dbraw/zinc/10/30/42/268103042.db2.gz ZKCSTTJCEXZRDS-UHFFFAOYSA-N -1 3 308.337 2.879 20 0 DFADHM CCOc1cccc([C@H](C)NC(=O)c2ccc(O)cc2[O-])c1 ZINC000194452419 268104092 /nfs/dbraw/zinc/10/40/92/268104092.db2.gz WTTGCLQXOXSGTE-NSHDSACASA-N -1 3 301.342 2.988 20 0 DFADHM C[C@@H](CNC(=O)c1ccc(O)cc1[O-])COCc1ccccc1 ZINC000194491370 268104819 /nfs/dbraw/zinc/10/48/19/268104819.db2.gz FQBMRLBGWMWDNJ-ZDUSSCGKSA-N -1 3 315.369 2.681 20 0 DFADHM COc1ccc(N(C)C(=O)c2cc(-c3ccc(C)o3)[n-]n2)cn1 ZINC000194513453 268105546 /nfs/dbraw/zinc/10/55/46/268105546.db2.gz LRIWHXYRAIPGGL-UHFFFAOYSA-N -1 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PLEQEMGEKADOSY-UHFFFAOYSA-N -1 3 320.233 2.899 20 0 DFADHM CC[C@H](C)[C@@H](O)C(=O)Nc1cc(Br)ccc1[O-] ZINC000270975005 268243478 /nfs/dbraw/zinc/24/34/78/268243478.db2.gz CGKDJWKFRKBLAN-WRWORJQWSA-N -1 3 302.168 2.500 20 0 DFADHM Cc1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C)n1 ZINC000048665644 425876717 /nfs/dbraw/zinc/87/67/17/425876717.db2.gz JRUNTIPCDIQVHB-UHFFFAOYSA-N -1 3 316.835 2.892 20 0 DFADHM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000295919490 268297697 /nfs/dbraw/zinc/29/76/97/268297697.db2.gz JCOQODJCXOWHJL-WPRPVWTQSA-N -1 3 312.295 2.761 20 0 DFADHM CS[C@H]1CCN(Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000296242818 268299409 /nfs/dbraw/zinc/29/94/09/268299409.db2.gz LATHGNHLXMNDTG-LBPRGKRZSA-N -1 3 305.399 2.744 20 0 DFADHM CCOC(=O)Cc1cnc(NC(=O)c2cccc(C)c2[O-])s1 ZINC000296821162 268306807 /nfs/dbraw/zinc/30/68/07/268306807.db2.gz DFKADNMUPAXNLM-UHFFFAOYSA-N -1 3 320.370 2.515 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)c1 ZINC000297067894 268309162 /nfs/dbraw/zinc/30/91/62/268309162.db2.gz PTDRPSHCLSXBQJ-YOEHRIQHSA-N -1 3 312.369 2.746 20 0 DFADHM CC(C)(CCO)CNCc1cccc([O-])c1Br ZINC000314938014 268342645 /nfs/dbraw/zinc/34/26/45/268342645.db2.gz AUQFQPHHPUEPLK-UHFFFAOYSA-N -1 3 302.212 2.653 20 0 DFADHM [O-]c1cccc(CN[C@@H]2CCO[C@@H]2C2CC2)c1Br ZINC000315119831 268342473 /nfs/dbraw/zinc/34/24/73/268342473.db2.gz ZWBAIPKPUBNIOO-BXUZGUMPSA-N -1 3 312.207 2.812 20 0 DFADHM CN(Cc1cccc([O-])c1Br)C[C@@H]1CCCO1 ZINC000315574133 268343030 /nfs/dbraw/zinc/34/30/30/268343030.db2.gz FBWSZDMLDWJQRD-NSHDSACASA-N -1 3 300.196 2.766 20 0 DFADHM CC[C@H]1CN(Cc2cccc([O-])c2Br)CCO1 ZINC000315567583 268343199 /nfs/dbraw/zinc/34/31/99/268343199.db2.gz DKPLOPSKSKHJAR-NSHDSACASA-N -1 3 300.196 2.766 20 0 DFADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)[C@H](C)CO1 ZINC000315585870 268343292 /nfs/dbraw/zinc/34/32/92/268343292.db2.gz GCGSLHQZUXDEIG-NXEZZACHSA-N -1 3 300.196 2.764 20 0 DFADHM C[C@H]1C[C@H](NCc2cccc([O-])c2Br)CCO1 ZINC000315588970 268343364 /nfs/dbraw/zinc/34/33/64/268343364.db2.gz PLSXNYAOAQTCFW-GXSJLCMTSA-N -1 3 300.196 2.812 20 0 DFADHM [O-]c1cccc(CN[C@H]2CCCOCC2)c1Br ZINC000315805909 268344049 /nfs/dbraw/zinc/34/40/49/268344049.db2.gz DYTCSMQDFAEDGZ-NSHDSACASA-N -1 3 300.196 2.813 20 0 DFADHM COc1ccc(CNC(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000318111624 268345783 /nfs/dbraw/zinc/34/57/83/268345783.db2.gz ODJXYAKYRMDEAD-UHFFFAOYSA-N -1 3 301.342 2.648 20 0 DFADHM CO[C@@]1(C)CCCN(c2c(C(=O)[O-])cnc3ccccc32)C1 ZINC000318041054 268345881 /nfs/dbraw/zinc/34/58/81/268345881.db2.gz WZDLTTWKQFVJOA-KRWDZBQOSA-N -1 3 300.358 2.938 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]CC2(C3CCC3)CCC2)s1 ZINC000333089587 268373845 /nfs/dbraw/zinc/37/38/45/268373845.db2.gz APXTVYQWSDVUDD-UHFFFAOYSA-N -1 3 300.449 2.700 20 0 DFADHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C)cs2)C1(C)C ZINC000331802047 268358996 /nfs/dbraw/zinc/35/89/96/268358996.db2.gz SGGMPZKOLUIYGU-MFKMUULPSA-N -1 3 303.449 2.538 20 0 DFADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC(F)(F)C3)c(=O)c2c1 ZINC000331941891 268359119 /nfs/dbraw/zinc/35/91/19/268359119.db2.gz HOKNTKSWBHOPIJ-UHFFFAOYSA-N -1 3 306.312 2.626 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H]3CCCC[C@@H]3OC)ccc2[n-]1 ZINC000332668999 268360167 /nfs/dbraw/zinc/36/01/67/268360167.db2.gz ZARHLEMZCUIDHU-ZFWWWQNUSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H]3CCCC[C@@H]3OC)cc2[n-]1 ZINC000332668999 268360169 /nfs/dbraw/zinc/36/01/69/268360169.db2.gz ZARHLEMZCUIDHU-ZFWWWQNUSA-N -1 3 317.389 2.649 20 0 DFADHM COCc1nc(C(=O)[N-]c2ccc(F)c(F)c2F)cs1 ZINC000049156070 425878508 /nfs/dbraw/zinc/87/85/08/425878508.db2.gz PFPZNGBKLOVFHQ-UHFFFAOYSA-N -1 3 302.277 2.959 20 0 DFADHM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1ccc2c(c1[O-])CCCC2 ZINC000333023014 268369418 /nfs/dbraw/zinc/36/94/18/268369418.db2.gz FPHBCWMDMGVNRD-WBVHZDCISA-N -1 3 301.386 2.568 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C1CCCC1 ZINC000333110573 268374884 /nfs/dbraw/zinc/37/48/84/268374884.db2.gz DWQGOPLYTADMCJ-RYUDHWBXSA-N -1 3 311.451 2.637 20 0 DFADHM COC[C@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000049176626 425878866 /nfs/dbraw/zinc/87/88/66/425878866.db2.gz DABNBPPSMRSOHP-MRVPVSSYSA-N -1 3 312.218 2.554 20 0 DFADHM Cc1ccc(-c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)c([O-])c1 ZINC000333234289 268384548 /nfs/dbraw/zinc/38/45/48/268384548.db2.gz HGSZOTMFWTWXOY-PBHICJAKSA-N -1 3 315.373 2.676 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000049335465 425879058 /nfs/dbraw/zinc/87/90/58/425879058.db2.gz QEZHETAPTKXEBD-UHFFFAOYSA-N -1 3 320.823 2.527 20 0 DFADHM Cc1ccc(OCCN(C)C(=O)c2c([O-])cccc2O)cc1 ZINC000125590469 425980833 /nfs/dbraw/zinc/98/08/33/425980833.db2.gz BYMJTWQESSCMQE-UHFFFAOYSA-N -1 3 301.342 2.557 20 0 DFADHM CN(CCN1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000106917415 425981194 /nfs/dbraw/zinc/98/11/94/425981194.db2.gz ILXYNZCFMIVMMP-UHFFFAOYSA-N -1 3 317.216 2.867 20 0 DFADHM CCc1cc(=O)[n-]c(CSCC(=O)N(CC(C)C)C2CC2)n1 ZINC000125600042 425981352 /nfs/dbraw/zinc/98/13/52/425981352.db2.gz PIQQARSNPWOOBJ-UHFFFAOYSA-N -1 3 323.462 2.625 20 0 DFADHM CCOc1cccc([C@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000125743559 425988051 /nfs/dbraw/zinc/98/80/51/425988051.db2.gz ICFHHJBSCOFTMC-NSHDSACASA-N -1 3 301.342 2.988 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cc(F)c(OC)c(F)c2)c1 ZINC000125748001 425989221 /nfs/dbraw/zinc/98/92/21/425989221.db2.gz ROPHKDQISUENGM-UHFFFAOYSA-N -1 3 309.268 2.940 20 0 DFADHM CCC[C@H](C)NC(=O)[C@H](C)SCc1nc(CC)cc(=O)[n-]1 ZINC000125797326 425991013 /nfs/dbraw/zinc/99/10/13/425991013.db2.gz ADADOEGKYCGABF-QWRGUYRKSA-N -1 3 311.451 2.671 20 0 DFADHM O=C(NCc1coc(-c2ccccc2)n1)c1c([O-])cccc1O ZINC000125816147 425992003 /nfs/dbraw/zinc/99/20/03/425992003.db2.gz GSXIQVJPGQGOML-UHFFFAOYSA-N -1 3 310.309 2.683 20 0 DFADHM Cc1nc([N-]C(=O)c2csc(-c3ccccc3F)n2)n[nH]1 ZINC000103257758 425940583 /nfs/dbraw/zinc/94/05/83/425940583.db2.gz ROOPWHVBDNYHOF-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM COCc1c(C(=O)[N-]c2n[nH]c(C)n2)sc2cccc(F)c21 ZINC000103254960 425940837 /nfs/dbraw/zinc/94/08/37/425940837.db2.gz RLAWBNDVNNVPKU-UHFFFAOYSA-N -1 3 320.349 2.866 20 0 DFADHM COc1nnc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)[n-]1 ZINC000158864639 425949631 /nfs/dbraw/zinc/94/96/31/425949631.db2.gz JIYUATSZZXQGET-SSDOTTSWSA-N -1 3 312.782 2.586 20 0 DFADHM COc1nc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)n[n-]1 ZINC000158864639 425949632 /nfs/dbraw/zinc/94/96/32/425949632.db2.gz JIYUATSZZXQGET-SSDOTTSWSA-N -1 3 312.782 2.586 20 0 DFADHM COc1n[n-]c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)n1 ZINC000158864639 425949635 /nfs/dbraw/zinc/94/96/35/425949635.db2.gz JIYUATSZZXQGET-SSDOTTSWSA-N -1 3 312.782 2.586 20 0 DFADHM Cc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)c([O-])c1 ZINC000069688643 425953464 /nfs/dbraw/zinc/95/34/64/425953464.db2.gz OFXNXCBHIJOJCR-ZDUSSCGKSA-N -1 3 304.415 2.795 20 0 DFADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000159240611 425956829 /nfs/dbraw/zinc/95/68/29/425956829.db2.gz OYJQAICXZOQZED-UHFFFAOYSA-N -1 3 323.817 2.556 20 0 DFADHM CC(C)c1csc2[n-]c(CC(=O)NC3CCCC3)nc(=O)c12 ZINC000069980729 425965089 /nfs/dbraw/zinc/96/50/89/425965089.db2.gz XSPDHMHRKVKERO-UHFFFAOYSA-N -1 3 319.430 2.709 20 0 DFADHM CC(C)CC[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000125392796 425969820 /nfs/dbraw/zinc/96/98/20/425969820.db2.gz FLVPNFYBADQSHI-JTQLQIEISA-N -1 3 303.362 2.516 20 0 DFADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3cnccn3)n[nH]2)cc1 ZINC000070720615 425974388 /nfs/dbraw/zinc/97/43/88/425974388.db2.gz LWZKSCYLPZPFFT-UHFFFAOYSA-N -1 3 322.372 2.812 20 0 DFADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000106904178 425979180 /nfs/dbraw/zinc/97/91/80/425979180.db2.gz YOLGVZQPLXHYOG-QWHCGFSZSA-N -1 3 324.340 2.816 20 0 DFADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000106904178 425979184 /nfs/dbraw/zinc/97/91/84/425979184.db2.gz YOLGVZQPLXHYOG-QWHCGFSZSA-N -1 3 324.340 2.816 20 0 DFADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000106904178 425979187 /nfs/dbraw/zinc/97/91/87/425979187.db2.gz YOLGVZQPLXHYOG-QWHCGFSZSA-N -1 3 324.340 2.816 20 0 DFADHM C[C@@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1F ZINC000108990658 426026201 /nfs/dbraw/zinc/02/62/01/426026201.db2.gz RDOUQLKVAVZMMZ-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM C[C@@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1F ZINC000108990658 426026203 /nfs/dbraw/zinc/02/62/03/426026203.db2.gz RDOUQLKVAVZMMZ-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1F ZINC000108990658 426026206 /nfs/dbraw/zinc/02/62/06/426026206.db2.gz RDOUQLKVAVZMMZ-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM C[C@H](NC(=O)c1c[n-]nn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000127533282 426071961 /nfs/dbraw/zinc/07/19/61/426071961.db2.gz BTALNNBBDINEPS-BDAKNGLRSA-N -1 3 312.295 2.746 20 0 DFADHM C[C@H](NC(=O)c1cnn[n-]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000127533282 426071965 /nfs/dbraw/zinc/07/19/65/426071965.db2.gz BTALNNBBDINEPS-BDAKNGLRSA-N -1 3 312.295 2.746 20 0 DFADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000127533282 426071969 /nfs/dbraw/zinc/07/19/69/426071969.db2.gz BTALNNBBDINEPS-BDAKNGLRSA-N -1 3 312.295 2.746 20 0 DFADHM C[C@@H]1CN(Cc2cc([O-])ccc2Br)C[C@@H](C)O1 ZINC000126939391 426043157 /nfs/dbraw/zinc/04/31/57/426043157.db2.gz RZHCBEVYKDCMGS-NXEZZACHSA-N -1 3 300.196 2.764 20 0 DFADHM Cc1cc(C(=O)N[C@H]2CCCO[C@H]2c2ccncc2)ccc1[O-] ZINC000337573450 268515789 /nfs/dbraw/zinc/51/57/89/268515789.db2.gz USOBTNYRHSWGRL-RDJZCZTQSA-N -1 3 312.369 2.746 20 0 DFADHM Cc1cc(CN(C)C(=O)c2c[n-]c3c(C)cccc3c2=O)no1 ZINC000162063901 426051250 /nfs/dbraw/zinc/05/12/50/426051250.db2.gz QNQWTHWUHCCGNJ-UHFFFAOYSA-N -1 3 311.341 2.817 20 0 DFADHM Cc1ccc(C(=O)N2CCO[C@@H](c3nccs3)C2)c([O-])c1C ZINC000111620474 426054664 /nfs/dbraw/zinc/05/46/64/426054664.db2.gz QVYQXCDJBIWVIA-CYBMUJFWSA-N -1 3 318.398 2.679 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)c3ccccc32)cn1C ZINC000162322622 426060582 /nfs/dbraw/zinc/06/05/82/426060582.db2.gz NITOHMUTILAYSE-ABAIWWIYSA-N -1 3 319.430 2.645 20 0 DFADHM COc1cccc(C(=O)NC[C@@H](OC)c2ccccc2)c1[O-] ZINC000112114000 426066297 /nfs/dbraw/zinc/06/62/97/426066297.db2.gz ICKIHMPEBFTIGN-OAHLLOKOSA-N -1 3 301.342 2.518 20 0 DFADHM CCC(CC)c1nnc([N-]C(=O)c2c(C)nn(C)c2OC)s1 ZINC000112276965 426070015 /nfs/dbraw/zinc/07/00/15/426070015.db2.gz RAUFWEVPASPKNH-UHFFFAOYSA-N -1 3 323.422 2.745 20 0 DFADHM COc1cc(CCC(=O)[N-]OCCC(F)(F)F)cc(OC)c1 ZINC000162622011 426070467 /nfs/dbraw/zinc/07/04/67/426070467.db2.gz FWSKMJMMDXZKMG-UHFFFAOYSA-N -1 3 321.295 2.637 20 0 DFADHM Cc1ccc(NC(=O)[C@H](C)[S@](=O)c2ccc([O-])cc2)c(F)c1 ZINC000108086963 426009914 /nfs/dbraw/zinc/00/99/14/426009914.db2.gz DYWVSLIRICTANL-KPWVOAKYSA-N -1 3 321.373 2.975 20 0 DFADHM O=[S@@](Cc1noc(-c2ccc(F)cc2)n1)c1ccc([O-])cc1 ZINC000108083684 426010109 /nfs/dbraw/zinc/01/01/09/426010109.db2.gz HNASCAPOWVODTQ-JOCHJYFZSA-N -1 3 318.329 2.889 20 0 DFADHM Cc1ccc(NC(=O)C[S@@](=O)c2ccc([O-])cc2)cc1F ZINC000108085196 426010224 /nfs/dbraw/zinc/01/02/24/426010224.db2.gz UAEWGACJGVLWCG-NRFANRHFSA-N -1 3 307.346 2.586 20 0 DFADHM CCCO[C@@H]1CCCN(C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000108228368 426012747 /nfs/dbraw/zinc/01/27/47/426012747.db2.gz AFRYRCSJABDFRG-CYBMUJFWSA-N -1 3 307.390 2.822 20 0 DFADHM Cc1nc(CNC(=O)c2c[n-]c3ccccc3c2=O)sc1C ZINC000075336234 426071196 /nfs/dbraw/zinc/07/11/96/426071196.db2.gz RVYOILJJRBFEQW-UHFFFAOYSA-N -1 3 313.382 2.531 20 0 DFADHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)noc1C ZINC000075943490 426089702 /nfs/dbraw/zinc/08/97/02/426089702.db2.gz QBXCMTOHBPSGIL-AWEZNQCLSA-N -1 3 308.403 2.591 20 0 DFADHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1c([O-])cccc1F ZINC000163553847 426103933 /nfs/dbraw/zinc/10/39/33/426103933.db2.gz ATSQQDDGKJUHOW-CYBMUJFWSA-N -1 3 318.348 2.691 20 0 DFADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1coc2ccccc12 ZINC000113181057 426106314 /nfs/dbraw/zinc/10/63/14/426106314.db2.gz QXYQJPRSPOSUEY-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000113181057 426106317 /nfs/dbraw/zinc/10/63/17/426106317.db2.gz QXYQJPRSPOSUEY-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccncc1F ZINC000337966378 268587857 /nfs/dbraw/zinc/58/78/57/268587857.db2.gz VQJMVVGMHMZIPW-MRVPVSSYSA-N -1 3 316.304 2.538 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCC2(SC)CCOCC2)c1 ZINC000076486790 426112791 /nfs/dbraw/zinc/11/27/91/426112791.db2.gz JYRCGPFZLIEQBZ-UHFFFAOYSA-N -1 3 309.431 2.597 20 0 DFADHM Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cccc([O-])c1 ZINC000113368776 426113023 /nfs/dbraw/zinc/11/30/23/426113023.db2.gz HZNDJZSTISQHOQ-UHFFFAOYSA-N -1 3 310.353 2.845 20 0 DFADHM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000128364404 426114355 /nfs/dbraw/zinc/11/43/55/426114355.db2.gz MFTXDIUAZXSAJL-JTQLQIEISA-N -1 3 324.352 2.727 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H](C)C[C@H](O)c2cccs2)c1 ZINC000162733026 426075443 /nfs/dbraw/zinc/07/54/43/426075443.db2.gz CLNMYNRUAYFBHF-YGRLFVJLSA-N -1 3 321.398 2.704 20 0 DFADHM O=C(Cc1ccccc1OC(F)F)[N-]OCCC(F)(F)F ZINC000162743378 426075487 /nfs/dbraw/zinc/07/54/87/426075487.db2.gz RIRRLDNPVREFFE-UHFFFAOYSA-N -1 3 313.222 2.831 20 0 DFADHM COc1ccc(C(=O)NC[C@H](C)c2c(C)noc2C)c([O-])c1 ZINC000162785812 426077350 /nfs/dbraw/zinc/07/73/50/426077350.db2.gz IVWRLPSCQJFEQC-VIFPVBQESA-N -1 3 304.346 2.539 20 0 DFADHM COc1ccc(C(=O)NC[C@@H](C)c2c(C)noc2C)c([O-])c1 ZINC000162785940 426077607 /nfs/dbraw/zinc/07/76/07/426077607.db2.gz IVWRLPSCQJFEQC-SECBINFHSA-N -1 3 304.346 2.539 20 0 DFADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(OC)cc2[O-])C1(C)C ZINC000127667324 426078795 /nfs/dbraw/zinc/07/87/95/426078795.db2.gz MPMAFPIPCKPZKF-LSDHHAIUSA-N -1 3 307.390 2.676 20 0 DFADHM Cc1cnccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000112496472 426079857 /nfs/dbraw/zinc/07/98/57/426079857.db2.gz ILEFFLGVQAOLEB-NSHDSACASA-N -1 3 304.371 2.514 20 0 DFADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccnc(C)c2)cc1C ZINC000112496139 426080705 /nfs/dbraw/zinc/08/07/05/426080705.db2.gz DBAPWUBPGIZWOX-UHFFFAOYSA-N -1 3 306.387 2.816 20 0 DFADHM CCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112625374 426085119 /nfs/dbraw/zinc/08/51/19/426085119.db2.gz CRATXKHNRDRDQW-UHFFFAOYSA-N -1 3 323.190 2.821 20 0 DFADHM COCCC1(CNC(=O)Cc2ccc([O-])cc2Cl)CCC1 ZINC000162979249 426085330 /nfs/dbraw/zinc/08/53/30/426085330.db2.gz RAELHSWFHFXMMS-UHFFFAOYSA-N -1 3 311.809 2.911 20 0 DFADHM CCC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000116978587 426203399 /nfs/dbraw/zinc/20/33/99/426203399.db2.gz JYCFZIRWKZVXTE-NSHDSACASA-N -1 3 324.808 2.941 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CNC(=O)OC(C)(C)C)c1[O-] ZINC000116979154 426203526 /nfs/dbraw/zinc/20/35/26/426203526.db2.gz CTBRTFCEULDPIR-UHFFFAOYSA-N -1 3 314.769 2.817 20 0 DFADHM Cc1nn2c(nnc2S[C@@H](C)c2c(F)cccc2F)[n-]c1=O ZINC000114860629 426148357 /nfs/dbraw/zinc/14/83/57/426148357.db2.gz ZBHVHUCAEXMRIS-ZETCQYMHSA-N -1 3 323.328 2.665 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c([O-])c1C ZINC000130453250 426160019 /nfs/dbraw/zinc/16/00/19/426160019.db2.gz COHYCRFMSVZRBG-SUMWQHHRSA-N -1 3 321.442 2.794 20 0 DFADHM Cc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1C ZINC000115726195 426172414 /nfs/dbraw/zinc/17/24/14/426172414.db2.gz YNJHRLGWGQZHFD-GFCCVEGCSA-N -1 3 322.364 2.678 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)c([O-])c1 ZINC000116057003 426178484 /nfs/dbraw/zinc/17/84/84/426178484.db2.gz YZRZNCQUIIMLAV-KGLIPLIRSA-N -1 3 318.417 2.514 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2cc(-c3ccccc3)on2)c1 ZINC000171272431 426180250 /nfs/dbraw/zinc/18/02/50/426180250.db2.gz QMDVKCOSPJBOQJ-UHFFFAOYSA-N -1 3 324.336 2.986 20 0 DFADHM COc1cccc(C(=O)N(C)CCCOc2ccccc2)c1[O-] ZINC000078687002 426180408 /nfs/dbraw/zinc/18/04/08/426180408.db2.gz KYLSHUGJNBONEB-UHFFFAOYSA-N -1 3 315.369 2.942 20 0 DFADHM COCCOc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000078979652 426187668 /nfs/dbraw/zinc/18/76/68/426187668.db2.gz YBAHDDWGINABRB-UHFFFAOYSA-N -1 3 301.342 2.978 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(C(F)(F)F)nc1 ZINC000078868705 426188202 /nfs/dbraw/zinc/18/82/02/426188202.db2.gz NVOQTMUFZMHCMH-UHFFFAOYSA-N -1 3 323.234 2.731 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(C(F)(F)F)nc1 ZINC000078868705 426188204 /nfs/dbraw/zinc/18/82/04/426188204.db2.gz NVOQTMUFZMHCMH-UHFFFAOYSA-N -1 3 323.234 2.731 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(C(F)(F)F)nc1 ZINC000078868705 426188206 /nfs/dbraw/zinc/18/82/06/426188206.db2.gz NVOQTMUFZMHCMH-UHFFFAOYSA-N -1 3 323.234 2.731 20 0 DFADHM Cc1c([O-])ccc2c(CN3CCOCC34CCC4)cc(=O)oc12 ZINC000135547636 426222151 /nfs/dbraw/zinc/22/21/51/426222151.db2.gz SHKNERCGKSWZMO-UHFFFAOYSA-N -1 3 315.369 2.562 20 0 DFADHM CCCCS[C@@H](C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135562896 426222609 /nfs/dbraw/zinc/22/26/09/426222609.db2.gz VQAYRKKZOORRAW-NSHDSACASA-N -1 3 319.434 2.651 20 0 DFADHM CCCCS[C@@H](C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135562896 426222612 /nfs/dbraw/zinc/22/26/12/426222612.db2.gz VQAYRKKZOORRAW-NSHDSACASA-N -1 3 319.434 2.651 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1C ZINC000135547929 426222626 /nfs/dbraw/zinc/22/26/26/426222626.db2.gz QBAHTRPOPMESHC-UHFFFAOYSA-N -1 3 307.357 2.660 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC000135547929 426222627 /nfs/dbraw/zinc/22/26/27/426222627.db2.gz QBAHTRPOPMESHC-UHFFFAOYSA-N -1 3 307.357 2.660 20 0 DFADHM CC(=O)Nc1cc(NC(=O)[N-]c2nnc3ccccn32)ccc1C ZINC000118024024 426227886 /nfs/dbraw/zinc/22/78/86/426227886.db2.gz ZUBLRXRTHNPEHI-UHFFFAOYSA-N -1 3 324.344 2.640 20 0 DFADHM COC(=O)c1ccc(Cl)c([N-]C(=O)c2snnc2C)c1 ZINC000082334664 426228738 /nfs/dbraw/zinc/22/87/38/426228738.db2.gz WACQCYRWDCJHEV-UHFFFAOYSA-N -1 3 311.750 2.539 20 0 DFADHM O=C(CN1Cc2ccccc2C1=O)Nc1ccc(Cl)cc1[O-] ZINC000339010832 268747539 /nfs/dbraw/zinc/74/75/39/268747539.db2.gz WZLJKHUYNRXNJL-UHFFFAOYSA-N -1 3 316.744 2.640 20 0 DFADHM Cn1cc(Br)cc1C(=O)Nc1ccc([O-])cc1F ZINC000085203727 426248268 /nfs/dbraw/zinc/24/82/68/426248268.db2.gz FCSPMXRBFHCBDZ-UHFFFAOYSA-N -1 3 313.126 2.885 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc(F)c2)c1 ZINC000173971668 426250148 /nfs/dbraw/zinc/25/01/48/426250148.db2.gz CHRMOSINUVNPBX-UHFFFAOYSA-N -1 3 322.361 2.758 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(F)c1F ZINC000119054228 426258298 /nfs/dbraw/zinc/25/82/98/426258298.db2.gz HGZHPKDUPZNINY-SSDOTTSWSA-N -1 3 316.329 2.609 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@H](C)Oc2ccccc2F)c1 ZINC000174542247 426259698 /nfs/dbraw/zinc/25/96/98/426259698.db2.gz ANVBKZNJEDOCEL-NSHDSACASA-N -1 3 319.332 2.737 20 0 DFADHM C[C@]1(C(=O)[O-])CCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000086779120 426261211 /nfs/dbraw/zinc/26/12/11/426261211.db2.gz NLBFIAJHPYRHHJ-ZDUSSCGKSA-N -1 3 303.280 2.882 20 0 DFADHM CCCOc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000150842694 426263161 /nfs/dbraw/zinc/26/31/61/426263161.db2.gz OXHYJFXYBNHBAS-OAHLLOKOSA-N -1 3 313.419 2.786 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(N2CCCC2=O)c1 ZINC000174871348 426266866 /nfs/dbraw/zinc/26/68/66/426266866.db2.gz LKTPQZZXHPSHMC-UHFFFAOYSA-N -1 3 314.316 2.910 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1cnc(-c2ncccn2)s1 ZINC000174894014 426267425 /nfs/dbraw/zinc/26/74/25/426267425.db2.gz HKFJEELBLJLWCE-UHFFFAOYSA-N -1 3 316.317 2.697 20 0 DFADHM CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccc([O-])c(F)c2)C1(C)C ZINC000174912463 426268120 /nfs/dbraw/zinc/26/81/20/426268120.db2.gz AWBVIERQALGVQW-GJZGRUSLSA-N -1 3 324.396 2.876 20 0 DFADHM CCS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174901266 426268510 /nfs/dbraw/zinc/26/85/10/426268510.db2.gz APYFJKYIFWRHGC-UHFFFAOYSA-N -1 3 323.345 2.577 20 0 DFADHM CCOCCC1(CNC(=O)c2cc(OC)ccc2[O-])CCC1 ZINC000150986124 426271286 /nfs/dbraw/zinc/27/12/86/426271286.db2.gz YNOJZYSAFBYOLL-UHFFFAOYSA-N -1 3 307.390 2.728 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Cl)c(Cl)c1 ZINC000151022058 426273028 /nfs/dbraw/zinc/27/30/28/426273028.db2.gz MBQZNTPJYPOTNV-HFKOZYHYSA-N -1 3 322.213 2.592 20 0 DFADHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000080000374 426208161 /nfs/dbraw/zinc/20/81/61/426208161.db2.gz ZUDKOOGWPVSVBA-AWEZNQCLSA-N -1 3 318.348 2.691 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)Cc1ccccc1 ZINC000117370403 426212907 /nfs/dbraw/zinc/21/29/07/426212907.db2.gz IVNAKAZJOJDOGQ-UHFFFAOYSA-N -1 3 322.430 2.839 20 0 DFADHM O=C(c1ccccc1[O-])N1CCN(CCC2CCCC2)CC1 ZINC000080930222 426216508 /nfs/dbraw/zinc/21/65/08/426216508.db2.gz XQIHCLDCPSQBGU-UHFFFAOYSA-N -1 3 302.418 2.730 20 0 DFADHM O=S(=O)([N-]Cc1ccncc1)c1ccccc1C(F)(F)F ZINC000119422764 426287960 /nfs/dbraw/zinc/28/79/60/426287960.db2.gz CCCRPEXGBCIEPW-UHFFFAOYSA-N -1 3 316.304 2.579 20 0 DFADHM Cc1nc(C)c(CCC(=O)NCC2(CC(C)C)CCC2)c(=O)[n-]1 ZINC000151296467 426288039 /nfs/dbraw/zinc/28/80/39/426288039.db2.gz DGJFBAQKESIJJR-UHFFFAOYSA-N -1 3 319.449 2.652 20 0 DFADHM C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000119455672 426289780 /nfs/dbraw/zinc/28/97/80/426289780.db2.gz ZKLOXLJFJIECAB-SNVBAGLBSA-N -1 3 317.320 2.680 20 0 DFADHM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000175272658 426293063 /nfs/dbraw/zinc/29/30/63/426293063.db2.gz VYLNPONIJCXUJB-OCCSQVGLSA-N -1 3 304.419 2.752 20 0 DFADHM CC(C)CC1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000119586291 426299452 /nfs/dbraw/zinc/29/94/52/426299452.db2.gz JGCARUWLLKMQAO-UHFFFAOYSA-N -1 3 313.405 2.699 20 0 DFADHM CC(C)CC1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000119586291 426299454 /nfs/dbraw/zinc/29/94/54/426299454.db2.gz JGCARUWLLKMQAO-UHFFFAOYSA-N -1 3 313.405 2.699 20 0 DFADHM O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccccc1[O-] ZINC000175380975 426301251 /nfs/dbraw/zinc/30/12/51/426301251.db2.gz IIMHCFWXJXZKIM-UHFFFAOYSA-N -1 3 315.344 2.967 20 0 DFADHM COc1ccc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)c([O-])c1 ZINC000175462373 426306730 /nfs/dbraw/zinc/30/67/30/426306730.db2.gz RUKUPLWJDLRVAP-LRDDRELGSA-N -1 3 307.390 2.582 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000175471973 426307295 /nfs/dbraw/zinc/30/72/95/426307295.db2.gz UQNNELDLIBRCAB-CYBMUJFWSA-N -1 3 319.401 2.758 20 0 DFADHM C[C@H](c1cccc(Cl)c1)S(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000151802761 426312920 /nfs/dbraw/zinc/31/29/20/426312920.db2.gz UYULFDDYXFITAZ-MRVPVSSYSA-N -1 3 311.794 2.870 20 0 DFADHM C[C@H](c1cccc(Cl)c1)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000151802761 426312924 /nfs/dbraw/zinc/31/29/24/426312924.db2.gz UYULFDDYXFITAZ-MRVPVSSYSA-N -1 3 311.794 2.870 20 0 DFADHM CCO[C@@H]1C[C@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1(C)C ZINC000120667736 426313194 /nfs/dbraw/zinc/31/31/94/426313194.db2.gz IIGKXKCYWADIQD-NWDGAFQWSA-N -1 3 321.446 2.620 20 0 DFADHM CCO[C@H]1C[C@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1(C)C ZINC000120667903 426313635 /nfs/dbraw/zinc/31/36/35/426313635.db2.gz IIGKXKCYWADIQD-RYUDHWBXSA-N -1 3 321.446 2.620 20 0 DFADHM CCO[C@@H]1C[C@@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1(C)C ZINC000120668043 426314247 /nfs/dbraw/zinc/31/42/47/426314247.db2.gz IIGKXKCYWADIQD-VXGBXAGGSA-N -1 3 321.446 2.620 20 0 DFADHM CC[C@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)C(C)C ZINC000120770962 426315137 /nfs/dbraw/zinc/31/51/37/426315137.db2.gz 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C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1nccs1 ZINC000186673533 426575542 /nfs/dbraw/zinc/57/55/42/426575542.db2.gz VKUTYIVSXFAMFS-MRVPVSSYSA-N -1 3 318.370 2.503 20 0 DFADHM CCOc1cc(-c2noc(C[C@@H]3CCC(=O)[C@H]3C)n2)ccc1[O-] ZINC000289073870 426579297 /nfs/dbraw/zinc/57/92/97/426579297.db2.gz IMELGJMYVOFRJH-QWRGUYRKSA-N -1 3 316.357 2.999 20 0 DFADHM CSCCON=C([O-])Nc1cccc(NC(=O)C(C)C)c1 ZINC000280471296 426581690 /nfs/dbraw/zinc/58/16/90/426581690.db2.gz IFBSOKGKFJYZPI-UHFFFAOYSA-N -1 3 311.407 2.697 20 0 DFADHM CSCCO[N-]C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000280471296 426581692 /nfs/dbraw/zinc/58/16/92/426581692.db2.gz IFBSOKGKFJYZPI-UHFFFAOYSA-N -1 3 311.407 2.697 20 0 DFADHM Cc1nnc(NCc2ccc([O-])c(Br)c2)s1 ZINC000223054770 426587565 /nfs/dbraw/zinc/58/75/65/426587565.db2.gz KXHUYIVJLJWMSF-UHFFFAOYSA-N -1 3 300.181 2.927 20 0 DFADHM C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289165406 426596834 /nfs/dbraw/zinc/59/68/34/426596834.db2.gz DYERLSWPNWZIBD-CMPLNLGQSA-N -1 3 306.797 2.692 20 0 DFADHM Cc1nn(C)cc1[C@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000178274615 426597836 /nfs/dbraw/zinc/59/78/36/426597836.db2.gz LADBRZISLAFVMW-VIFPVBQESA-N -1 3 307.781 2.507 20 0 DFADHM C[C@@H]1C[C@@H](CCNC(=O)c2cc(=O)c3ccccc3[n-]2)CCO1 ZINC000273124001 426598484 /nfs/dbraw/zinc/59/84/84/426598484.db2.gz FEPYLSIEXJUNKG-OLZOCXBDSA-N -1 3 314.385 2.875 20 0 DFADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000178312519 426604800 /nfs/dbraw/zinc/60/48/00/426604800.db2.gz LVKYUEDUVFZDEM-NXEZZACHSA-N -1 3 315.373 2.516 20 0 DFADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000178326859 426605512 /nfs/dbraw/zinc/60/55/12/426605512.db2.gz QPTZBACUCPLZOQ-UHFFFAOYSA-N -1 3 311.334 2.644 20 0 DFADHM CC[C@@H](CC1CCCC1)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000273171770 426606498 /nfs/dbraw/zinc/60/64/98/426606498.db2.gz CYBOCXZPEBOFBE-ZDUSSCGKSA-N -1 3 303.406 2.673 20 0 DFADHM O=C(C[C@H]1CCCc2ccccc21)N1CCc2c(=O)[n-]cnc2C1 ZINC000273174504 426607197 /nfs/dbraw/zinc/60/71/97/426607197.db2.gz DIATWYFMBQSWCH-CQSZACIVSA-N -1 3 323.396 2.577 20 0 DFADHM CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000264452141 426556245 /nfs/dbraw/zinc/55/62/45/426556245.db2.gz SSJVLNUZLFWVLQ-AWEZNQCLSA-N -1 3 304.390 2.820 20 0 DFADHM C[C@@H](CO)[C@@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000186590252 426558902 /nfs/dbraw/zinc/55/89/02/426558902.db2.gz ZHSKRCIGCDDBGI-JGVFFNPUSA-N -1 3 313.810 2.538 20 0 DFADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]c1cn[nH]c1 ZINC000186617939 426564686 /nfs/dbraw/zinc/56/46/86/426564686.db2.gz HDRJNUAUHWUEGK-UHFFFAOYSA-N -1 3 306.174 2.658 20 0 DFADHM [O-]c1ccc(Br)c(CN2CCO[C@H]3CCC[C@H]32)c1 ZINC000228144489 426632258 /nfs/dbraw/zinc/63/22/58/426632258.db2.gz JBADFZMOCDTJER-KGLIPLIRSA-N -1 3 312.207 2.908 20 0 DFADHM CCC[C@@H](C(=O)N1CCc2c(nc[n-]c2=O)C1)c1ccccc1 ZINC000273305119 426638911 /nfs/dbraw/zinc/63/89/11/426638911.db2.gz WVAKOGLGHDZEBS-CQSZACIVSA-N -1 3 311.385 2.651 20 0 DFADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289381696 426642228 /nfs/dbraw/zinc/64/22/28/426642228.db2.gz JFOGTTJNPHZEDE-GXSJLCMTSA-N -1 3 324.787 2.831 20 0 DFADHM Cc1ccc([O-])c(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000289391896 426644776 /nfs/dbraw/zinc/64/47/76/426644776.db2.gz FBZYSQDLTHDXMI-ZDUSSCGKSA-N -1 3 306.406 2.649 20 0 DFADHM CCOc1ccc(NC([O-])=NOCc2cccnc2)cc1OC ZINC000273422844 426661728 /nfs/dbraw/zinc/66/17/28/426661728.db2.gz NCGRQRCVQWMFCT-UHFFFAOYSA-N -1 3 317.345 2.742 20 0 DFADHM CCOc1ccc(NC(=O)[N-]OCc2cccnc2)cc1OC ZINC000273422844 426661731 /nfs/dbraw/zinc/66/17/31/426661731.db2.gz NCGRQRCVQWMFCT-UHFFFAOYSA-N -1 3 317.345 2.742 20 0 DFADHM CCOC(=O)COc1ccc(NCc2nc(C)ccc2[O-])cc1 ZINC000273432848 426663079 /nfs/dbraw/zinc/66/30/79/426663079.db2.gz UMESUUAFXIAEOK-UHFFFAOYSA-N -1 3 316.357 2.650 20 0 DFADHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])oc2c1C(=O)CCC2 ZINC000273447876 426664948 /nfs/dbraw/zinc/66/49/48/426664948.db2.gz HAOXANCAKJYZHY-UHFFFAOYSA-N -1 3 300.314 2.768 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC)cc1 ZINC000187051182 426624950 /nfs/dbraw/zinc/62/49/50/426624950.db2.gz HWNVOORGTPJAIP-UHFFFAOYSA-N -1 3 311.334 2.644 20 0 DFADHM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@H](C(=O)[O-])C1 ZINC000178893738 426714041 /nfs/dbraw/zinc/71/40/41/426714041.db2.gz SXKLVEULRDPZAP-WFASDCNBSA-N -1 3 312.369 2.573 20 0 DFADHM CN1CC[C@@H](NC(=O)c2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC000245748712 426769716 /nfs/dbraw/zinc/76/97/16/426769716.db2.gz APBQQJXNFVNSDU-NVXWUHKLSA-N -1 3 314.360 2.707 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H]1CCC(F)(F)C1 ZINC000281811736 426770200 /nfs/dbraw/zinc/77/02/00/426770200.db2.gz VYFWFYNOUKFOLO-JTQLQIEISA-N -1 3 302.296 2.766 20 0 DFADHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3ccco3)c21 ZINC000188747521 426783658 /nfs/dbraw/zinc/78/36/58/426783658.db2.gz CHOXVJKZHDPWNN-UHFFFAOYSA-N -1 3 304.371 2.590 20 0 DFADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1 ZINC000290524152 426784009 /nfs/dbraw/zinc/78/40/09/426784009.db2.gz NEZJCYDZNSAWQK-UHFFFAOYSA-N -1 3 308.407 2.650 20 0 DFADHM Cn1ncc2c1ncc(C(=O)Nc1ccccc1Cl)c2[O-] ZINC000179381479 426785814 /nfs/dbraw/zinc/78/58/14/426785814.db2.gz GSZZHZVCSCOGSS-UHFFFAOYSA-N -1 3 302.721 2.580 20 0 DFADHM CSCCON=C([O-])Nc1ccc(-c2nccc(C)n2)cc1 ZINC000281584760 426723112 /nfs/dbraw/zinc/72/31/12/426723112.db2.gz ZUDXUHSTYZMUPW-UHFFFAOYSA-N -1 3 318.402 2.868 20 0 DFADHM CSCCO[N-]C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000281584760 426723117 /nfs/dbraw/zinc/72/31/17/426723117.db2.gz ZUDXUHSTYZMUPW-UHFFFAOYSA-N -1 3 318.402 2.868 20 0 DFADHM Cc1cccc2c1OCC[C@@H]2NC(=O)/C=C/c1cncc([O-])c1 ZINC000188110031 426723516 /nfs/dbraw/zinc/72/35/16/426723516.db2.gz UCUVCIFCHUGJQV-JFDDCEBESA-N -1 3 310.353 2.749 20 0 DFADHM Cc1nnc([C@@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)s1 ZINC000274238798 426727274 /nfs/dbraw/zinc/72/72/74/426727274.db2.gz QZLMDMJCSYJOOS-SECBINFHSA-N -1 3 317.414 2.922 20 0 DFADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cn3ccnc3s2)c1 ZINC000188200012 426730268 /nfs/dbraw/zinc/73/02/68/426730268.db2.gz WSWUQZCTMCWJND-UHFFFAOYSA-N -1 3 319.317 2.574 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000281643350 426735366 /nfs/dbraw/zinc/73/53/66/426735366.db2.gz VSDLBNAKVKSMBN-CLLJXQQHSA-N -1 3 315.410 2.616 20 0 DFADHM CCc1ccc(C(=O)NC[C@@H](CCO)c2ccccc2)c([O-])c1 ZINC000188302890 426740886 /nfs/dbraw/zinc/74/08/86/426740886.db2.gz XOFILJQUDRZVOM-MRXNPFEDSA-N -1 3 313.397 2.851 20 0 DFADHM C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccccc1[O-] ZINC000290325545 426742291 /nfs/dbraw/zinc/74/22/91/426742291.db2.gz DRPFUDHJDHYPHV-DGCLKSJQSA-N -1 3 320.389 2.520 20 0 DFADHM C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccccc1[O-] ZINC000290325578 426743158 /nfs/dbraw/zinc/74/31/58/426743158.db2.gz DRPFUDHJDHYPHV-YPMHNXCESA-N -1 3 320.389 2.520 20 0 DFADHM CCc1ccc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)c([O-])c1 ZINC000188511193 426759568 /nfs/dbraw/zinc/75/95/68/426759568.db2.gz SXVWKOHHAJQIBX-OAHLLOKOSA-N -1 3 313.401 2.838 20 0 DFADHM Cn1cnc(-c2ccc([N-]S(=O)(=O)CCC(C)(C)C)cc2)n1 ZINC000290427744 426761502 /nfs/dbraw/zinc/76/15/02/426761502.db2.gz AKAGYVJGMJUGKV-UHFFFAOYSA-N -1 3 322.434 2.660 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c([O-])c1 ZINC000245695947 426762612 /nfs/dbraw/zinc/76/26/12/426762612.db2.gz KMRZLIFSBWOGBN-NUEKZKHPSA-N -1 3 301.386 2.778 20 0 DFADHM O=S(=O)([N-]CCSCc1ccccc1F)c1ccco1 ZINC000188571373 426763187 /nfs/dbraw/zinc/76/31/87/426763187.db2.gz DIDSSPMTVWMZOM-UHFFFAOYSA-N -1 3 315.391 2.630 20 0 DFADHM C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)c2c([O-])cccc21 ZINC000274424772 426766006 /nfs/dbraw/zinc/76/60/06/426766006.db2.gz YYFUKHBCAWNEPM-NWDGAFQWSA-N -1 3 311.385 2.761 20 0 DFADHM C[C@H]1CN(C(=O)c2cnc3c(cnn3C)c2[O-])[C@@H]1c1ccccc1 ZINC000179525138 426797553 /nfs/dbraw/zinc/79/75/53/426797553.db2.gz QLGUUAUEFCKNSL-NHYWBVRUSA-N -1 3 322.368 2.507 20 0 DFADHM Cc1csc([C@@H]2CCCN(C(=O)c3ccc(O)cc3[O-])C2)n1 ZINC000179523384 426798321 /nfs/dbraw/zinc/79/83/21/426798321.db2.gz GMFVYWHCKPPBAC-LLVKDONJSA-N -1 3 318.398 2.883 20 0 DFADHM COc1ccc2c(c1)OC[C@H](C(=O)Nc1c(C)cccc1[O-])C2 ZINC000179554108 426800370 /nfs/dbraw/zinc/80/03/70/426800370.db2.gz BZARXLHBMNBUGZ-CYBMUJFWSA-N -1 3 313.353 2.899 20 0 DFADHM CCOC(CCNC(=O)c1cc([O-])ccc1Cl)OCC ZINC000290607703 426802363 /nfs/dbraw/zinc/80/23/63/426802363.db2.gz BEUAUAQPJOPJHL-UHFFFAOYSA-N -1 3 301.770 2.565 20 0 DFADHM C[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCC[C@H](C)C1 ZINC000246204299 426808682 /nfs/dbraw/zinc/80/86/82/426808682.db2.gz NCGSDYOCNHVXOZ-WDEREUQCSA-N -1 3 312.360 2.521 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCC(F)(F)C1 ZINC000282223188 426857381 /nfs/dbraw/zinc/85/73/81/426857381.db2.gz YXBBQSOCOYIWDK-SNVBAGLBSA-N -1 3 307.304 2.631 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCC(F)(F)C1 ZINC000282223188 426857383 /nfs/dbraw/zinc/85/73/83/426857383.db2.gz YXBBQSOCOYIWDK-SNVBAGLBSA-N -1 3 307.304 2.631 20 0 DFADHM COC1(C[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)CCC1 ZINC000180384902 426857416 /nfs/dbraw/zinc/85/74/16/426857416.db2.gz OIMXFBNDGIXDSO-UHFFFAOYSA-N -1 3 321.801 2.635 20 0 DFADHM O=C(CC1CCOCC1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000267122982 426827550 /nfs/dbraw/zinc/82/75/50/426827550.db2.gz DPPKBEZVWOLGNI-UHFFFAOYSA-N -1 3 322.315 2.505 20 0 DFADHM O=C(CC1CCOCC1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000267122982 426827551 /nfs/dbraw/zinc/82/75/51/426827551.db2.gz DPPKBEZVWOLGNI-UHFFFAOYSA-N -1 3 322.315 2.505 20 0 DFADHM O=C(CC1CCOCC1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000267122982 426827556 /nfs/dbraw/zinc/82/75/56/426827556.db2.gz DPPKBEZVWOLGNI-UHFFFAOYSA-N -1 3 322.315 2.505 20 0 DFADHM Cc1csc(NC(=O)CS[C@@H](C)c2nc(C)cc(=O)[n-]2)n1 ZINC000282126736 426835698 /nfs/dbraw/zinc/83/56/98/426835698.db2.gz KZJVBVCEAQXNFO-VIFPVBQESA-N -1 3 324.431 2.688 20 0 DFADHM O=S(=O)([N-]c1ccncc1F)c1cccc2ncccc21 ZINC000180168175 426840328 /nfs/dbraw/zinc/84/03/28/426840328.db2.gz MDJAZOVUFRKZAX-UHFFFAOYSA-N -1 3 303.318 2.570 20 0 DFADHM CCN(CC)[C@H](C[N-]C(=O)C(F)(F)C(F)F)c1ccco1 ZINC000267193065 426841378 /nfs/dbraw/zinc/84/13/78/426841378.db2.gz LMBYYTWYVVQLCJ-SECBINFHSA-N -1 3 310.291 2.679 20 0 DFADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccncc2F)cc1C ZINC000180165577 426841491 /nfs/dbraw/zinc/84/14/91/426841491.db2.gz ODYLTCGEZZJYIC-UHFFFAOYSA-N -1 3 310.350 2.647 20 0 DFADHM C[C@@H](C1CC1)n1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cn1 ZINC000189355662 426844951 /nfs/dbraw/zinc/84/49/51/426844951.db2.gz INNUSASAUSDBDX-NSHDSACASA-N -1 3 322.368 2.948 20 0 DFADHM C[C@@H](C1CC1)n1cc(NC(=O)c2cnc3ccccc3c2[O-])cn1 ZINC000189355662 426844957 /nfs/dbraw/zinc/84/49/57/426844957.db2.gz INNUSASAUSDBDX-NSHDSACASA-N -1 3 322.368 2.948 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1ccco1 ZINC000274839903 426848208 /nfs/dbraw/zinc/84/82/08/426848208.db2.gz FEHWCSCEQNRDRX-CYBMUJFWSA-N -1 3 315.435 2.857 20 0 DFADHM Cn1nccc1C1=CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000290834999 426850298 /nfs/dbraw/zinc/85/02/98/426850298.db2.gz HUOYFKUPDZHYTD-UHFFFAOYSA-N -1 3 317.776 2.709 20 0 DFADHM CCC[C@@H](CNC(=O)c1cc([O-])ccc1Cl)C(=O)OCC ZINC000290842185 426852022 /nfs/dbraw/zinc/85/20/22/426852022.db2.gz IZDHVHIUAJGSAZ-JTQLQIEISA-N -1 3 313.781 2.755 20 0 DFADHM CCC(=O)Nc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000274869526 426853549 /nfs/dbraw/zinc/85/35/49/426853549.db2.gz FKBDDMSGYXCWFS-AWEZNQCLSA-N -1 3 307.350 2.615 20 0 DFADHM CCC(=O)Nc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000274869526 426853556 /nfs/dbraw/zinc/85/35/56/426853556.db2.gz FKBDDMSGYXCWFS-AWEZNQCLSA-N -1 3 307.350 2.615 20 0 DFADHM CCCCc1nnc(NC(=O)/C=C/c2cncc([O-])c2)s1 ZINC000179445654 426790237 /nfs/dbraw/zinc/79/02/37/426790237.db2.gz HJTLHAKNGNQRBI-AATRIKPKSA-N -1 3 304.375 2.633 20 0 DFADHM O=C(c1ccc([O-])cc1)N1CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000274553479 426790401 /nfs/dbraw/zinc/79/04/01/426790401.db2.gz YABZMPOVBCJQGI-RTBURBONSA-N -1 3 322.408 2.706 20 0 DFADHM CN(CCC1CCCCC1)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179470431 426792259 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CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc([O-])c(CC)c1 ZINC000291591060 426922188 /nfs/dbraw/zinc/92/21/88/426922188.db2.gz WFLSAJAHCWOJHN-AWEZNQCLSA-N -1 3 305.374 2.512 20 0 DFADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000282233918 426860146 /nfs/dbraw/zinc/86/01/46/426860146.db2.gz PHMYGTVSHKDKRC-VIFPVBQESA-N -1 3 319.810 2.709 20 0 DFADHM CCN(CCOC)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000274953396 426861315 /nfs/dbraw/zinc/86/13/15/426861315.db2.gz QFUQWROWXVIQBF-UHFFFAOYSA-N -1 3 302.374 2.666 20 0 DFADHM COCc1nc(C[N-]C(=O)C(F)(F)c2ccccc2)cs1 ZINC000290923371 426869053 /nfs/dbraw/zinc/86/90/53/426869053.db2.gz KXIWIWUUCQEWFN-UHFFFAOYSA-N -1 3 312.341 2.698 20 0 DFADHM Cn1ncc2c1ncc(C(=O)Nc1ccsc1Cl)c2[O-] ZINC000189500219 426870358 /nfs/dbraw/zinc/87/03/58/426870358.db2.gz SADVQSOQQIJFEO-UHFFFAOYSA-N -1 3 308.750 2.641 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(OC(F)F)c(F)c1 ZINC000189503809 426872396 /nfs/dbraw/zinc/87/23/96/426872396.db2.gz JMTCILIERAHLSP-MRVPVSSYSA-N -1 3 320.267 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272533486 /nfs/dbraw/zinc/53/34/86/272533486.db2.gz CQEGBFRDLBMQHA-ZDUSSCGKSA-N -1 3 316.376 2.996 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)c1ccco1 ZINC000337091646 427798625 /nfs/dbraw/zinc/79/86/25/427798625.db2.gz LJKLXAJNNYQIJT-HNNXBMFYSA-N -1 3 323.414 2.704 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2c(C)cccc2OC(F)F)[n-]1 ZINC000339653253 427807142 /nfs/dbraw/zinc/80/71/42/427807142.db2.gz LWDBCDULJRYAON-UHFFFAOYSA-N -1 3 324.283 2.963 20 0 DFADHM Cn1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1C1CCC1 ZINC000339691022 427812807 /nfs/dbraw/zinc/81/28/07/427812807.db2.gz TZGFCBIUZKPSKQ-UHFFFAOYSA-N -1 3 322.372 2.725 20 0 DFADHM Cn1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1C1CCC1 ZINC000339691022 427812809 /nfs/dbraw/zinc/81/28/09/427812809.db2.gz TZGFCBIUZKPSKQ-UHFFFAOYSA-N -1 3 322.372 2.725 20 0 DFADHM CCCCCN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)C(C)C ZINC000339726428 427818444 /nfs/dbraw/zinc/81/84/44/427818444.db2.gz NFRZMUOZPBTVFE-UHFFFAOYSA-N -1 3 323.462 2.909 20 0 DFADHM C[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)[C@H]1CN(C)CCO1 ZINC000301756711 427821616 /nfs/dbraw/zinc/82/16/16/427821616.db2.gz LCTFGNFRQRJTFQ-ZWNOBZJWSA-N -1 3 322.796 2.521 20 0 DFADHM CCOc1nc2cc(C(=O)NCCCOC(C)C)ccc2[n-]1 ZINC000345639144 427839111 /nfs/dbraw/zinc/83/91/11/427839111.db2.gz MOAXSNRUXNFNAF-UHFFFAOYSA-N -1 3 305.378 2.507 20 0 DFADHM CCOc1nc2ccc(C(=O)NCCCOC(C)C)cc2[n-]1 ZINC000345639144 427839117 /nfs/dbraw/zinc/83/91/17/427839117.db2.gz MOAXSNRUXNFNAF-UHFFFAOYSA-N -1 3 305.378 2.507 20 0 DFADHM Cc1nc(Cc2noc(-c3n[n-]nc3-c3ccccc3)n2)cs1 ZINC000349758534 427858683 /nfs/dbraw/zinc/85/86/83/427858683.db2.gz VGNKYUFKYOHJQC-UHFFFAOYSA-N -1 3 324.369 2.877 20 0 DFADHM CN(Cc1ccc(F)cc1Cl)C(=O)c1csc(=O)[n-]1 ZINC000349689956 427843593 /nfs/dbraw/zinc/84/35/93/427843593.db2.gz FOPHUHLREWDBAX-UHFFFAOYSA-N -1 3 300.742 2.913 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N[C@@H](C)c2c(F)cccc2F)on1 ZINC000340431864 427847314 /nfs/dbraw/zinc/84/73/14/427847314.db2.gz KCJZZCXINCIIEA-VHSXEESVSA-N -1 3 309.316 2.939 20 0 DFADHM Cc1ccc([C@H](C)NC(=O)NCc2ncccc2[O-])cc1F ZINC000349707729 427848028 /nfs/dbraw/zinc/84/80/28/427848028.db2.gz XCZJLSCZERWCRY-NSHDSACASA-N -1 3 303.337 2.795 20 0 DFADHM O=C(NCc1ncccc1[O-])NCC1C2CC3CC(C2)CC1C3 ZINC000349736144 427853625 /nfs/dbraw/zinc/85/36/25/427853625.db2.gz QMJYPNYJIUCSCN-UHFFFAOYSA-N -1 3 315.417 2.659 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000337344483 427854265 /nfs/dbraw/zinc/85/42/65/427854265.db2.gz UBXYOJXWXCXZMB-GHMZBOCLSA-N -1 3 323.336 2.573 20 0 DFADHM CC1(C)CCC[C@@]1(O)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000355734000 427865642 /nfs/dbraw/zinc/86/56/42/427865642.db2.gz NJZYMKCISCKRIL-GOSISDBHSA-N -1 3 323.408 2.911 20 0 DFADHM COCc1ncsc1C(=O)[N-]c1nc(-c2ccc[nH]2)cs1 ZINC000339925147 427874547 /nfs/dbraw/zinc/87/45/47/427874547.db2.gz XGVZLORELXHKDV-UHFFFAOYSA-N -1 3 320.399 2.993 20 0 DFADHM C/C=C/C=C\c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000355773421 427883897 /nfs/dbraw/zinc/88/38/97/427883897.db2.gz MJANAPAXYGZJGC-ICWBMWKASA-N -1 3 305.359 2.697 20 0 DFADHM CCOC(=O)C1(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000355772698 427884190 /nfs/dbraw/zinc/88/41/90/427884190.db2.gz AVRPYGISZKVGKL-UHFFFAOYSA-N -1 3 313.353 2.619 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2sccc2OC)c([O-])c1 ZINC000340592718 427893326 /nfs/dbraw/zinc/89/33/26/427893326.db2.gz VEHOSWMBYWHVRM-UHFFFAOYSA-N -1 3 321.354 2.891 20 0 DFADHM CC1(C)CCC[C@]1(O)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000355789809 427893952 /nfs/dbraw/zinc/89/39/52/427893952.db2.gz RGAPXSONMKTDMX-INIZCTEOSA-N -1 3 311.809 2.646 20 0 DFADHM C[C@@]1(CO)CCC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345759724 427894853 /nfs/dbraw/zinc/89/48/53/427894853.db2.gz QHKBGTSHJGOYBK-RDJZCZTQSA-N -1 3 309.381 2.521 20 0 DFADHM CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000355809451 427904696 /nfs/dbraw/zinc/90/46/96/427904696.db2.gz HQPRIXYQBMIWBI-UKRRQHHQSA-N -1 3 313.405 2.699 20 0 DFADHM CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000355809451 427904700 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C[C@H](OCCC[N-]S(=O)(=O)c1ccccn1)c1ccccc1 ZINC000340082434 427920511 /nfs/dbraw/zinc/92/05/11/427920511.db2.gz KWPBOALPUMOVLS-AWEZNQCLSA-N -1 3 320.414 2.528 20 0 DFADHM COc1cccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)c1 ZINC000340681531 427926884 /nfs/dbraw/zinc/92/68/84/427926884.db2.gz PCBGOSJSGMHRQB-SFHVURJKSA-N -1 3 315.344 2.850 20 0 DFADHM COc1ccc2c(c1)[C@@H](NCc1cnc(C)[n-]c1=O)CCCO2 ZINC000346802897 272686565 /nfs/dbraw/zinc/68/65/65/272686565.db2.gz DRHUFTAMMNXICC-HNNXBMFYSA-N -1 3 315.373 2.503 20 0 DFADHM CCN(CC1CC1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000340221347 427958515 /nfs/dbraw/zinc/95/85/15/427958515.db2.gz UJZMUFLLBYHUMQ-UHFFFAOYSA-N -1 3 312.207 2.956 20 0 DFADHM COC(=O)[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]1C ZINC000355957868 427963712 /nfs/dbraw/zinc/96/37/12/427963712.db2.gz MGGAJJLFBIZXMO-RISCZKNCSA-N -1 3 313.353 2.569 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)C[C@@H]2CCCCC2(C)C)n[n-]1 ZINC000337573579 427965710 /nfs/dbraw/zinc/96/57/10/427965710.db2.gz DYDXCQSIWBOEIP-LBPRGKRZSA-N 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CCc1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)ccc1[O-] ZINC000341467078 428077462 /nfs/dbraw/zinc/07/74/62/428077462.db2.gz UEIXMFIZPRKESW-UHFFFAOYSA-N -1 3 319.382 2.610 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2C)c(F)c1 ZINC000359923540 428078091 /nfs/dbraw/zinc/07/80/91/428078091.db2.gz KZTNQPACNWVMDS-WDEREUQCSA-N -1 3 301.383 2.549 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CC=CC[C@H]3C)[n-]c21 ZINC000341484197 428083383 /nfs/dbraw/zinc/08/33/83/428083383.db2.gz PFJKFZODXUAUQU-GHMZBOCLSA-N -1 3 313.357 2.890 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CC=CC[C@H]3C)nc21 ZINC000341484197 428083389 /nfs/dbraw/zinc/08/33/89/428083389.db2.gz PFJKFZODXUAUQU-GHMZBOCLSA-N -1 3 313.357 2.890 20 0 DFADHM CC(C)c1nc(-c2ccccc2NC(=O)c2cncc([O-])c2)n[nH]1 ZINC000346234277 428084380 /nfs/dbraw/zinc/08/43/80/428084380.db2.gz JQIHLNYPLRGPOM-UHFFFAOYSA-N -1 3 323.356 2.948 20 0 DFADHM CC(C)c1nnc(-c2ccccc2NC(=O)c2cncc([O-])c2)[nH]1 ZINC000346234277 428084385 /nfs/dbraw/zinc/08/43/85/428084385.db2.gz 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ZINC000452097951 429055801 /nfs/dbraw/zinc/05/58/01/429055801.db2.gz FJSCCFVHMNSVSB-LBPRGKRZSA-N -1 3 307.419 2.559 20 0 DFADHM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1csc(=O)[n-]1 ZINC000376093745 429056134 /nfs/dbraw/zinc/05/61/34/429056134.db2.gz IUERBHQYZVKLBT-AWEZNQCLSA-N -1 3 318.398 2.746 20 0 DFADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H]1COc2cccc(F)c21 ZINC000376120108 429061159 /nfs/dbraw/zinc/06/11/59/429061159.db2.gz XXIVRTVDKNYINC-LLVKDONJSA-N -1 3 322.286 2.871 20 0 DFADHM CCOc1nccc(C)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000434118925 429072515 /nfs/dbraw/zinc/07/25/15/429072515.db2.gz LIDCWDFHFSVMPC-UHFFFAOYSA-N -1 3 314.317 2.830 20 0 DFADHM C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)CC(F)(F)F ZINC000412648392 429076539 /nfs/dbraw/zinc/07/65/39/429076539.db2.gz FRXTUOHRBWQFLD-VIFPVBQESA-N -1 3 312.291 2.846 20 0 DFADHM CC(F)(F)CCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000452217309 429086006 /nfs/dbraw/zinc/08/60/06/429086006.db2.gz VKPXVPFRGFWHOQ-UHFFFAOYSA-N -1 3 322.149 2.859 20 0 DFADHM CC(C)(C)OC(=O)N1CCC[C@H]1CCC[N-]C(=O)C(F)(F)F ZINC000494695463 429144566 /nfs/dbraw/zinc/14/45/66/429144566.db2.gz WQPAPLUITLKYJO-SNVBAGLBSA-N -1 3 324.343 2.845 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2ncoc2-c2ccccc2)c1 ZINC000363959157 429147703 /nfs/dbraw/zinc/14/77/03/429147703.db2.gz IAQHEYRBUZGNJK-UHFFFAOYSA-N -1 3 324.336 2.986 20 0 DFADHM Cc1ccc2c(NCc3nnc(C(F)(F)F)[n-]3)ccnc2n1 ZINC000435576322 429149326 /nfs/dbraw/zinc/14/93/26/429149326.db2.gz SWRIUBSATYJOQB-UHFFFAOYSA-N -1 3 308.267 2.687 20 0 DFADHM Cc1ccc2c(NCc3n[n-]c(C(F)(F)F)n3)ccnc2n1 ZINC000435576322 429149334 /nfs/dbraw/zinc/14/93/34/429149334.db2.gz SWRIUBSATYJOQB-UHFFFAOYSA-N -1 3 308.267 2.687 20 0 DFADHM Cc1ccc2c(NCc3nc(C(F)(F)F)n[n-]3)ccnc2n1 ZINC000435576322 429149339 /nfs/dbraw/zinc/14/93/39/429149339.db2.gz SWRIUBSATYJOQB-UHFFFAOYSA-N -1 3 308.267 2.687 20 0 DFADHM CC(C)c1nnc2n1CCN(Cc1cc([O-])cc(F)c1)[C@@H]2C ZINC000363974992 429150364 /nfs/dbraw/zinc/15/03/64/429150364.db2.gz PHWIKQFMBRYYSD-LLVKDONJSA-N -1 3 304.369 2.823 20 0 DFADHM CCN(Cc1occc1C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000412793791 429102635 /nfs/dbraw/zinc/10/26/35/429102635.db2.gz YHFNGJNVGCELQA-UHFFFAOYSA-N -1 3 316.357 2.914 20 0 DFADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2ccc(F)cc2F)s1 ZINC000376400324 429106576 /nfs/dbraw/zinc/10/65/76/429106576.db2.gz TZWQDJUNFSCUJK-UHFFFAOYSA-N -1 3 321.312 2.767 20 0 DFADHM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000412821442 429107054 /nfs/dbraw/zinc/10/70/54/429107054.db2.gz KFZUHFHYPYNIBM-UONOGXRCSA-N -1 3 314.385 2.515 20 0 DFADHM CCCn1ncc(NC(=O)c2ccc(C(=O)OC)[n-]2)c1C1CC1 ZINC000452462057 429117544 /nfs/dbraw/zinc/11/75/44/429117544.db2.gz CPJRUMQAVSRDCD-UHFFFAOYSA-N -1 3 316.361 2.538 20 0 DFADHM COc1cc(C(C)=O)ccc1OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000412985892 429118117 /nfs/dbraw/zinc/11/81/17/429118117.db2.gz UVPNHPPLKAGYMJ-UHFFFAOYSA-N -1 3 314.341 2.850 20 0 DFADHM COC(=O)c1cc(C)nc2nc(SCCC3CC3)[n-]c(=O)c12 ZINC000412998189 429120392 /nfs/dbraw/zinc/12/03/92/429120392.db2.gz XZQBRWAPUAEZHI-UHFFFAOYSA-N -1 3 319.386 2.718 20 0 DFADHM O=c1[n-]c(SCc2cccc(CN3CCCCC3)c2)n[nH]1 ZINC000413007863 429122160 /nfs/dbraw/zinc/12/21/60/429122160.db2.gz VIPCRKLNAUBLAR-UHFFFAOYSA-N -1 3 304.419 2.789 20 0 DFADHM CC[C@H]1CCC[C@H]1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000452534716 429126060 /nfs/dbraw/zinc/12/60/60/429126060.db2.gz VNAQIZVJRBKXOP-STQMWFEESA-N -1 3 304.390 2.907 20 0 DFADHM CC[C@@H](CC(F)(F)F)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000487117999 429133454 /nfs/dbraw/zinc/13/34/54/429133454.db2.gz LGTZINDPMSDHLL-VIFPVBQESA-N -1 3 312.295 2.933 20 0 DFADHM C[C@@H]1[C@@H](C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000435400753 429138079 /nfs/dbraw/zinc/13/80/79/429138079.db2.gz HIPFFFGJRCKDEC-KNXALSJPSA-N -1 3 319.368 2.855 20 0 DFADHM C[C@@H]1[C@@H](C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000435400753 429138085 /nfs/dbraw/zinc/13/80/85/429138085.db2.gz HIPFFFGJRCKDEC-KNXALSJPSA-N -1 3 319.368 2.855 20 0 DFADHM C[C@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)[C@@H]1C(=O)[O-] ZINC000424418884 429138357 /nfs/dbraw/zinc/13/83/57/429138357.db2.gz NYJQHSLGQVHQRB-LRDDRELGSA-N -1 3 317.364 2.697 20 0 DFADHM O=C(c1ccccc1[O-])N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000364090745 429169663 /nfs/dbraw/zinc/16/96/63/429169663.db2.gz ORUJLKBOVSMKOB-UHFFFAOYSA-N -1 3 303.308 2.985 20 0 DFADHM CCc1cc(C(=O)NC[C@@H](CO)CC2CCCC2)ccc1[O-] ZINC000487547965 429159585 /nfs/dbraw/zinc/15/95/85/429159585.db2.gz BQLKZLHGYCPKGX-AWEZNQCLSA-N -1 3 305.418 2.873 20 0 DFADHM Cc1cccc(C(=O)N[C@H](c2cnn(C)c2)c2ccccc2)c1[O-] ZINC000364287090 429175959 /nfs/dbraw/zinc/17/59/59/429175959.db2.gz ADDBTWFSYVZJID-KRWDZBQOSA-N -1 3 321.380 2.954 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CCC[C@H](F)C3)[n-]c21 ZINC000424738356 429182588 /nfs/dbraw/zinc/18/25/88/429182588.db2.gz PDURSLPQHKZQEX-ZJUUUORDSA-N -1 3 319.336 2.816 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCC[C@H](F)C3)nc21 ZINC000424738356 429182590 /nfs/dbraw/zinc/18/25/90/429182590.db2.gz PDURSLPQHKZQEX-ZJUUUORDSA-N -1 3 319.336 2.816 20 0 DFADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H]3CCOC3)c2)n1 ZINC000364332058 429183550 /nfs/dbraw/zinc/18/35/50/429183550.db2.gz XEFBIEASYAIDSR-GFCCVEGCSA-N -1 3 313.357 2.523 20 0 DFADHM CC[C@@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489061809 429217679 /nfs/dbraw/zinc/21/76/79/429217679.db2.gz RQBIOZQLCCESBH-SSDOTTSWSA-N -1 3 315.288 2.801 20 0 DFADHM C[C@@H]1CCCN(C(=O)c2cccc([O-])c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425039215 429224067 /nfs/dbraw/zinc/22/40/67/429224067.db2.gz MQCBGFQEHLUGQA-DOMZBBRYSA-N -1 3 319.401 2.975 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(C)C ZINC000488793395 429199242 /nfs/dbraw/zinc/19/92/42/429199242.db2.gz IUCVDZKKIBWLGQ-CHWSQXEVSA-N -1 3 300.424 2.785 20 0 DFADHM CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000488793800 429199251 /nfs/dbraw/zinc/19/92/51/429199251.db2.gz JFSWISVTTYJPJR-KBPBESRZSA-N -1 3 300.399 2.714 20 0 DFADHM COc1cccc(C(=O)Nc2n[nH]c3c2cccc3Cl)c1[O-] ZINC000436515543 429200287 /nfs/dbraw/zinc/20/02/87/429200287.db2.gz RUTQGWAVFLGHAZ-UHFFFAOYSA-N -1 3 317.732 3.183 20 0 DFADHM O=S(=O)([N-]CC1(C2CC2)CC1)c1cnccc1C(F)(F)F ZINC000442772803 429234768 /nfs/dbraw/zinc/23/47/68/429234768.db2.gz VYXQXJQJDFEYQY-UHFFFAOYSA-N -1 3 320.336 2.569 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)c([O-])c1C ZINC000456130031 429246767 /nfs/dbraw/zinc/24/67/67/429246767.db2.gz PSZYKGFDKUKWJF-FVQBIDKESA-N -1 3 303.402 2.775 20 0 DFADHM CCC1(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCCCC1 ZINC000456215130 429258658 /nfs/dbraw/zinc/25/86/58/429258658.db2.gz JSQGXYQIUYNFCB-UHFFFAOYSA-N -1 3 324.446 2.901 20 0 DFADHM CNC(=O)Oc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000495768802 429262536 /nfs/dbraw/zinc/26/25/36/429262536.db2.gz IKZXKGDWUFWDMA-UHFFFAOYSA-N -1 3 300.314 2.671 20 0 DFADHM COC(=O)c1ccc(NC(=O)c2cc(C)ccc2[O-])c(OC)c1 ZINC000444383064 429272472 /nfs/dbraw/zinc/27/24/72/429272472.db2.gz QKPAOFCMAKOVKP-UHFFFAOYSA-N -1 3 315.325 2.748 20 0 DFADHM CC(C)(C)OC(=O)N1CCC[C@@H](CC[N-]C(=O)C(F)(F)F)C1 ZINC000495822945 429272635 /nfs/dbraw/zinc/27/26/35/429272635.db2.gz KYIHPQJSXLBRJZ-JTQLQIEISA-N -1 3 324.343 2.702 20 0 DFADHM COc1ccc(NC(=O)CCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000495820147 429273584 /nfs/dbraw/zinc/27/35/84/429273584.db2.gz QMEFJRHIJHMZCV-UHFFFAOYSA-N -1 3 324.377 2.596 20 0 DFADHM C[C@H]1COCC[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000444410967 429275132 /nfs/dbraw/zinc/27/51/32/429275132.db2.gz KQSGLCUDINPQST-WPRPVWTQSA-N -1 3 319.279 2.902 20 0 DFADHM Cc1cnn(C2CN(C(=O)c3cc([O-])c4ccccc4c3)C2)c1 ZINC000365095721 429275348 /nfs/dbraw/zinc/27/53/48/429275348.db2.gz AMAKKTIPUBHRRJ-UHFFFAOYSA-N -1 3 307.353 2.747 20 0 DFADHM CC[C@@H](C)N1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000456534202 429318873 /nfs/dbraw/zinc/31/88/73/429318873.db2.gz SGRRCLSRVOHMPF-CQSZACIVSA-N -1 3 322.424 2.797 20 0 DFADHM Cc1ccc([C@H]2CN(C(=O)c3csc(=O)[n-]3)CCO2)c(C)c1 ZINC000365545739 429338179 /nfs/dbraw/zinc/33/81/79/429338179.db2.gz JYOVMIIMLCSZIZ-CQSZACIVSA-N -1 3 318.398 2.679 20 0 DFADHM Cc1cccc(C(=O)N2C[C@@H](C)C(=O)N(C)c3ccccc32)c1[O-] ZINC000365575189 429343827 /nfs/dbraw/zinc/34/38/27/429343827.db2.gz YQFZHLQOGBYEOL-CYBMUJFWSA-N -1 3 324.380 2.960 20 0 DFADHM Cc1cc(CS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)on1 ZINC000490420992 429289894 /nfs/dbraw/zinc/28/98/94/429289894.db2.gz SYIFHGUILJYFLE-UHFFFAOYSA-N -1 3 317.370 2.655 20 0 DFADHM Cc1cc(CS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)on1 ZINC000490420992 429289899 /nfs/dbraw/zinc/28/98/99/429289899.db2.gz SYIFHGUILJYFLE-UHFFFAOYSA-N -1 3 317.370 2.655 20 0 DFADHM C=CC(=O)NCc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000490670186 429300303 /nfs/dbraw/zinc/30/03/03/429300303.db2.gz FWIIEWDOEWBCJO-UHFFFAOYSA-N -1 3 321.336 2.911 20 0 DFADHM Cc1cnc(C2CCN(C(=O)c3csc(=O)[n-]3)CC2)s1 ZINC000365316727 429301335 /nfs/dbraw/zinc/30/13/35/429301335.db2.gz RFLKWKCLGOZZLR-UHFFFAOYSA-N -1 3 309.416 2.633 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@H](C)Cc2cnn(C)c2)c([O-])c1 ZINC000456432620 429305707 /nfs/dbraw/zinc/30/57/07/429305707.db2.gz 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/nfs/dbraw/zinc/40/69/88/429406988.db2.gz HRVSJWXFPDHHGM-INIZCTEOSA-N -1 3 321.323 2.895 20 0 DFADHM COc1cc2c(cc1CN[C@@H](C)CCC[C@H](C)C(=O)[O-])OCO2 ZINC000426672974 429408303 /nfs/dbraw/zinc/40/83/03/429408303.db2.gz VDDGYRXJBZPDBJ-RYUDHWBXSA-N -1 3 323.389 2.793 20 0 DFADHM COC(=O)c1c(C)c(NC(=O)c2cccc([O-])c2)ccc1F ZINC000426691767 429408859 /nfs/dbraw/zinc/40/88/59/429408859.db2.gz LFFYPUZCFHUDFD-UHFFFAOYSA-N -1 3 303.289 2.879 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)C2CC(C)(C)C2)n[n-]1 ZINC000507433797 429349535 /nfs/dbraw/zinc/34/95/35/429349535.db2.gz NLVYVYFXFUHCRY-UHFFFAOYSA-N -1 3 300.362 2.855 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C2(C)Cc3ccccc3C2)c(F)c1 ZINC000507907991 429353648 /nfs/dbraw/zinc/35/36/48/429353648.db2.gz XYONGVMOXKLONG-UHFFFAOYSA-N -1 3 319.401 2.970 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCCOc2cncc(Cl)c2)c1 ZINC000508790206 429355598 /nfs/dbraw/zinc/35/55/98/429355598.db2.gz RIWZTPOVPUNIIT-UHFFFAOYSA-N -1 3 320.776 2.812 20 0 DFADHM Cc1cc(SCCCOC([O-])=NC(N)=O)nc2ccccc12 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ZINC000449925983 429538368 /nfs/dbraw/zinc/53/83/68/429538368.db2.gz TYGWBNWBDZQCIS-UHFFFAOYSA-N -1 3 319.405 2.849 20 0 DFADHM CCOc1nc2ccc(C(=O)N(C)CCCOC(C)C)cc2[n-]1 ZINC000449925983 429538375 /nfs/dbraw/zinc/53/83/75/429538375.db2.gz TYGWBNWBDZQCIS-UHFFFAOYSA-N -1 3 319.405 2.849 20 0 DFADHM CCOC[C@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000428671359 429542543 /nfs/dbraw/zinc/54/25/43/429542543.db2.gz JFKYLLJTTXSVIQ-QMMMGPOBSA-N -1 3 313.810 2.946 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)C[C@H]2CCCCNC2=O)c1[O-] ZINC000366949388 429545149 /nfs/dbraw/zinc/54/51/49/429545149.db2.gz AUAACFZHEZCKBI-SNVBAGLBSA-N -1 3 310.781 2.599 20 0 DFADHM Cc1ccccc1[C@@H]1CN(C(=O)/C=C\c2cncc([O-])c2)CCO1 ZINC000492472618 429545350 /nfs/dbraw/zinc/54/53/50/429545350.db2.gz KPFOCHHNJFECHT-MJRGOJFPSA-N -1 3 324.380 2.709 20 0 DFADHM C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000521257287 429545673 /nfs/dbraw/zinc/54/56/73/429545673.db2.gz HUKQVBZHBFOUHS-LOWVWBTDSA-N -1 3 301.346 2.593 20 0 DFADHM C[C@H](CN(C)C(=O)Cc1ccc([O-])c(F)c1)c1nccs1 ZINC000450575234 429652302 /nfs/dbraw/zinc/65/23/02/429652302.db2.gz GWTIMYRJIHVOAH-SNVBAGLBSA-N -1 3 308.378 2.792 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N[C@@H](c1ccccc1)C(F)F ZINC000492805940 429619508 /nfs/dbraw/zinc/61/95/08/429619508.db2.gz JYSUWQOAYPSXEA-XHPSBEMXSA-N -1 3 304.296 2.923 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])NC1(CO)CCCC1 ZINC000450411537 429619520 /nfs/dbraw/zinc/61/95/20/429619520.db2.gz XKKLTANVQFTUHE-UHFFFAOYSA-N -1 3 313.397 2.899 20 0 DFADHM CC[C@H](C)Oc1ccccc1/C=C\C(=O)[N-]OCCCOC ZINC000492830678 429624895 /nfs/dbraw/zinc/62/48/95/429624895.db2.gz ACJCBANBQJTCHS-BMSUMIBZSA-N -1 3 307.390 2.961 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](C)[C@H]3CCCCO3)ccc2[n-]1 ZINC000450446499 429627557 /nfs/dbraw/zinc/62/75/57/429627557.db2.gz OFNVWGQKTAFYHO-IAQYHMDHSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](C)[C@H]3CCCCO3)cc2[n-]1 ZINC000450446499 429627561 /nfs/dbraw/zinc/62/75/61/429627561.db2.gz OFNVWGQKTAFYHO-IAQYHMDHSA-N -1 3 317.389 2.649 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc2sccc2[nH]1 ZINC000429727907 429627696 /nfs/dbraw/zinc/62/76/96/429627696.db2.gz CZUAIQQXHIYNMQ-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2sccc2[nH]1 ZINC000429727907 429627698 /nfs/dbraw/zinc/62/76/98/429627698.db2.gz CZUAIQQXHIYNMQ-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(/C=C\c1c(Cl)nc2sccn12)[N-]OCCC1CC1 ZINC000492850670 429629682 /nfs/dbraw/zinc/62/96/82/429629682.db2.gz GNTXDBXQVQANGK-ARJAWSKDSA-N -1 3 311.794 2.910 20 0 DFADHM COc1cc(NC(=O)/C=C/c2cncc([O-])c2)cc(OC)c1C ZINC000492897366 429639514 /nfs/dbraw/zinc/63/95/14/429639514.db2.gz RVQCKMKQIYYKPP-SNAWJCMRSA-N -1 3 314.341 2.765 20 0 DFADHM CN(Cc1c(F)cccc1F)C(=O)/C=C/c1cncc([O-])c1 ZINC000492941703 429649379 /nfs/dbraw/zinc/64/93/79/429649379.db2.gz RHWSJHFQUNCKGF-AATRIKPKSA-N -1 3 304.296 2.737 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000492750590 429607418 /nfs/dbraw/zinc/60/74/18/429607418.db2.gz JEVDPECNWWZLSI-QXJVMSCWSA-N -1 3 324.380 2.694 20 0 DFADHM C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)c1ccn(C)n1 ZINC000458263615 429610415 /nfs/dbraw/zinc/61/04/15/429610415.db2.gz AYDQOQSHIMMNDH-MRVPVSSYSA-N -1 3 313.279 2.636 20 0 DFADHM O=C(/C=C/[C@@H]1CCOC1)Nc1cc(Br)ccc1[O-] ZINC000492989282 429661331 /nfs/dbraw/zinc/66/13/31/429661331.db2.gz NUOFVLWYNUOYNP-CITMHJQUSA-N -1 3 312.163 2.686 20 0 DFADHM CC(C)(C)C(C)(C)CNC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000458670041 429675327 /nfs/dbraw/zinc/67/53/27/429675327.db2.gz WVXWAFJKDZXQPA-UHFFFAOYSA-N -1 3 321.347 2.695 20 0 DFADHM CC(C)(C)C(C)(C)CNC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000458670041 429675329 /nfs/dbraw/zinc/67/53/29/429675329.db2.gz WVXWAFJKDZXQPA-UHFFFAOYSA-N -1 3 321.347 2.695 20 0 DFADHM CC(C)(C)C(C)(C)CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000458670041 429675333 /nfs/dbraw/zinc/67/53/33/429675333.db2.gz WVXWAFJKDZXQPA-UHFFFAOYSA-N -1 3 321.347 2.695 20 0 DFADHM CC(C)O[C@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1(C)C ZINC000450659219 429673221 /nfs/dbraw/zinc/67/32/21/429673221.db2.gz PSQITTHFJQKARL-GJZGRUSLSA-N -1 3 309.381 2.782 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)C=Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000493069572 429683185 /nfs/dbraw/zinc/68/31/85/429683185.db2.gz IDJKMWLVKSNSMD-UMVCZCLVSA-N -1 3 315.329 2.565 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)C=Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000493069572 429683191 /nfs/dbraw/zinc/68/31/91/429683191.db2.gz IDJKMWLVKSNSMD-UMVCZCLVSA-N -1 3 315.329 2.565 20 0 DFADHM CCC[C@@H](CC(C)C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000450747561 429690773 /nfs/dbraw/zinc/69/07/73/429690773.db2.gz OYYGCWBOLROCFU-VIFPVBQESA-N -1 3 306.332 2.902 20 0 DFADHM CCC[C@@H](CC(C)C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000450747561 429690778 /nfs/dbraw/zinc/69/07/78/429690778.db2.gz OYYGCWBOLROCFU-VIFPVBQESA-N -1 3 306.332 2.902 20 0 DFADHM CCC[C@@H](CC(C)C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000450747561 429690781 /nfs/dbraw/zinc/69/07/81/429690781.db2.gz OYYGCWBOLROCFU-VIFPVBQESA-N -1 3 306.332 2.902 20 0 DFADHM Cc1cncc(-c2cc([N-]C(=O)c3ocnc3C3CC3)no2)c1 ZINC000367660204 429694541 /nfs/dbraw/zinc/69/45/41/429694541.db2.gz YTBOXINDIKBVBH-UHFFFAOYSA-N -1 3 310.313 3.163 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1csc(Cl)c1 ZINC000526042841 429697341 /nfs/dbraw/zinc/69/73/41/429697341.db2.gz AMCGXWYZGKWECA-UHFFFAOYSA-N -1 3 313.766 2.862 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1csc(Cl)c1 ZINC000526042841 429697345 /nfs/dbraw/zinc/69/73/45/429697345.db2.gz AMCGXWYZGKWECA-UHFFFAOYSA-N -1 3 313.766 2.862 20 0 DFADHM Cc1ccc(CNC(=O)c2cccc3nn[n-]c32)c(OC(C)C)c1 ZINC000526115454 429703751 /nfs/dbraw/zinc/70/37/51/429703751.db2.gz VPKATAXSQLLNFT-UHFFFAOYSA-N -1 3 324.384 2.984 20 0 DFADHM Cc1ccc(CNC(=O)c2cccc3[n-]nnc32)c(OC(C)C)c1 ZINC000526115454 429703756 /nfs/dbraw/zinc/70/37/56/429703756.db2.gz VPKATAXSQLLNFT-UHFFFAOYSA-N -1 3 324.384 2.984 20 0 DFADHM Cc1ccc(CNC(=O)c2cccc3n[n-]nc32)c(OC(C)C)c1 ZINC000526115454 429703762 /nfs/dbraw/zinc/70/37/62/429703762.db2.gz VPKATAXSQLLNFT-UHFFFAOYSA-N -1 3 324.384 2.984 20 0 DFADHM C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)CCCC(=O)[O-] ZINC000430661845 429706579 /nfs/dbraw/zinc/70/65/79/429706579.db2.gz IGATWBXXOAITHC-QWHCGFSZSA-N -1 3 324.446 2.597 20 0 DFADHM CCc1cccc(C(=O)N2CCC(c3cnn(C)c3)CC2)c1[O-] ZINC000526936629 429708418 /nfs/dbraw/zinc/70/84/18/429708418.db2.gz LLICEHLPJFAGLW-UHFFFAOYSA-N -1 3 313.401 2.708 20 0 DFADHM CCC[C@@H](NC(=O)[C@@H](C)N(C)CCCC(=O)[O-])c1ccccc1 ZINC000430675230 429708741 /nfs/dbraw/zinc/70/87/41/429708741.db2.gz DSCUTYDOAPSQIM-GDBMZVCRSA-N -1 3 320.433 2.829 20 0 DFADHM Cc1cccc([C@@]2(F)CCN(C(=O)c3cc(C)nc(=O)[n-]3)C2)c1 ZINC000367730986 429708721 /nfs/dbraw/zinc/70/87/21/429708721.db2.gz UZOYLMHBTRAWPT-QGZVFWFLSA-N -1 3 315.348 2.510 20 0 DFADHM CSc1ccc(NC(=O)[C@H](C)N(C)CCCC(=O)[O-])cc1 ZINC000430671714 429709669 /nfs/dbraw/zinc/70/96/69/429709669.db2.gz RBJQABOPASFZGN-NSHDSACASA-N -1 3 310.419 2.532 20 0 DFADHM Cc1conc1[N-]C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000472323597 429714639 /nfs/dbraw/zinc/71/46/39/429714639.db2.gz GHTWHMAWCJAVGP-UHFFFAOYSA-N -1 3 312.301 3.121 20 0 DFADHM C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000450869732 429717160 /nfs/dbraw/zinc/71/71/60/429717160.db2.gz OLZAFYLMHOLUGX-SGTLLEGYSA-N -1 3 323.408 2.767 20 0 DFADHM COc1ccc([O-])c(C(=O)NCC2(c3ccccn3)CCC2)c1 ZINC000367805367 429719601 /nfs/dbraw/zinc/71/96/01/429719601.db2.gz ROWCQXSDHPVWQB-UHFFFAOYSA-N -1 3 312.369 2.648 20 0 DFADHM CCn1c(=O)[n-]nc1SCc1cncn1Cc1ccccc1 ZINC000527073527 429720242 /nfs/dbraw/zinc/72/02/42/429720242.db2.gz CYCCIEAMIVGDCD-UHFFFAOYSA-N -1 3 315.402 2.541 20 0 DFADHM C[C@@H]1COc2ccccc2CN1C(=O)/C=C/c1cncc([O-])c1 ZINC000367805563 429720575 /nfs/dbraw/zinc/72/05/75/429720575.db2.gz XMMMVXSLASZXGT-KTRBRXNASA-N -1 3 310.353 2.610 20 0 DFADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cccc2[n-]nnc21 ZINC000527114996 429724350 /nfs/dbraw/zinc/72/43/50/429724350.db2.gz IDLHRYWKVUVJPL-PSASIEDQSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cccc2nn[n-]c21 ZINC000527114996 429724352 /nfs/dbraw/zinc/72/43/52/429724352.db2.gz IDLHRYWKVUVJPL-PSASIEDQSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cccc2n[n-]nc21 ZINC000527114996 429724356 /nfs/dbraw/zinc/72/43/56/429724356.db2.gz IDLHRYWKVUVJPL-PSASIEDQSA-N -1 3 312.295 2.761 20 0 DFADHM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccc2nn[n-]c21 ZINC000527108996 429725131 /nfs/dbraw/zinc/72/51/31/429725131.db2.gz CRUMCLBAZHKCMU-RNCFNFMXSA-N -1 3 314.295 2.522 20 0 DFADHM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccc2[n-]nnc21 ZINC000527108996 429725136 /nfs/dbraw/zinc/72/51/36/429725136.db2.gz CRUMCLBAZHKCMU-RNCFNFMXSA-N -1 3 314.295 2.522 20 0 DFADHM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccc2n[n-]nc21 ZINC000527108996 429725140 /nfs/dbraw/zinc/72/51/40/429725140.db2.gz CRUMCLBAZHKCMU-RNCFNFMXSA-N -1 3 314.295 2.522 20 0 DFADHM O=c1[n-]nc([C@H]2CCCN(CCSc3ccc(F)cc3)C2)o1 ZINC000450912630 429728956 /nfs/dbraw/zinc/72/89/56/429728956.db2.gz XNUICECYTWHPQY-NSHDSACASA-N -1 3 323.393 2.886 20 0 DFADHM CCOc1ccc(/C=C/C(=O)NCc2ncccc2[O-])cc1C ZINC000493308772 429733537 /nfs/dbraw/zinc/73/35/37/429733537.db2.gz YJZWOEVQTIIDEE-VQHVLOKHSA-N -1 3 312.369 2.824 20 0 DFADHM CCO[C@@H]1CCC[C@H]1[N-]c1nc(-c2ccc(OC)cc2)no1 ZINC000450941976 429734826 /nfs/dbraw/zinc/73/48/26/429734826.db2.gz QJZATCLPSIJWFL-ZIAGYGMSSA-N -1 3 303.362 3.115 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)c3cncs3)ccc2[n-]1 ZINC000450954062 429738260 /nfs/dbraw/zinc/73/82/60/429738260.db2.gz ATAHJYSWOSZFDN-VIFPVBQESA-N -1 3 316.386 2.909 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)c3cncs3)cc2[n-]1 ZINC000450954062 429738265 /nfs/dbraw/zinc/73/82/65/429738265.db2.gz ATAHJYSWOSZFDN-VIFPVBQESA-N -1 3 316.386 2.909 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCOc3ccccc32)c1 ZINC000450989661 429747005 /nfs/dbraw/zinc/74/70/05/429747005.db2.gz GJVAYIHSKKFSQD-LBPRGKRZSA-N -1 3 309.412 2.859 20 0 DFADHM Cc1ccc(-c2cnc(CNC(=O)c3ccc(O)cc3[O-])o2)cc1 ZINC000367904392 429740835 /nfs/dbraw/zinc/74/08/35/429740835.db2.gz WNXPQTLRHRPWLB-UHFFFAOYSA-N -1 3 324.336 2.991 20 0 DFADHM CC(C)(C)n1ncc2c1CCC[C@@H]2[N-]c1nnc(C(F)F)o1 ZINC000367911181 429742313 /nfs/dbraw/zinc/74/23/13/429742313.db2.gz MPIHVWDILFHHEH-VIFPVBQESA-N -1 3 311.336 3.448 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCO[C@H](c2ccco2)C1 ZINC000368164587 429800808 /nfs/dbraw/zinc/80/08/08/429800808.db2.gz ODUZMPDWTDGKJC-AWEZNQCLSA-N -1 3 307.733 2.852 20 0 DFADHM CCc1cc(C(=O)N2CC[C@H](C3CCOCC3)C2)ccc1[O-] ZINC000368177934 429803633 /nfs/dbraw/zinc/80/36/33/429803633.db2.gz JAPCHSOZJWCXKD-INIZCTEOSA-N -1 3 303.402 2.843 20 0 DFADHM Cc1cccc([C@@H]2CCN(C(=O)c3cccc4[n-]nnc43)C2)c1 ZINC000527364751 429748084 /nfs/dbraw/zinc/74/80/84/429748084.db2.gz MJANMYJLTOKXHV-CQSZACIVSA-N -1 3 306.369 2.896 20 0 DFADHM Cc1cccc([C@@H]2CCN(C(=O)c3cccc4nn[n-]c43)C2)c1 ZINC000527364751 429748087 /nfs/dbraw/zinc/74/80/87/429748087.db2.gz MJANMYJLTOKXHV-CQSZACIVSA-N -1 3 306.369 2.896 20 0 DFADHM Cc1cccc([C@@H]2CCN(C(=O)c3cccc4n[n-]nc43)C2)c1 ZINC000527364751 429748091 /nfs/dbraw/zinc/74/80/91/429748091.db2.gz MJANMYJLTOKXHV-CQSZACIVSA-N -1 3 306.369 2.896 20 0 DFADHM COc1cccc(C[C@@H]2CCCN2C(=O)c2csc(=O)[n-]2)c1 ZINC000527447984 429749705 /nfs/dbraw/zinc/74/97/05/429749705.db2.gz VNQXRAALMNJZQR-LBPRGKRZSA-N -1 3 318.398 2.705 20 0 DFADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1nc(C(F)(F)F)cs1 ZINC000527474765 429752593 /nfs/dbraw/zinc/75/25/93/429752593.db2.gz AVPVYJYCZWHRCF-BYPYZUCNSA-N -1 3 323.321 2.815 20 0 DFADHM CCc1cc(C(=O)NCCSCC(F)(F)F)ccc1[O-] ZINC000486941920 429755166 /nfs/dbraw/zinc/75/51/66/429755166.db2.gz SYJUIZDJFRHFQF-UHFFFAOYSA-N -1 3 307.337 2.980 20 0 DFADHM CCc1cc(C(=O)N[C@H](CO)c2c(F)cccc2F)ccc1[O-] ZINC000486961566 429757842 /nfs/dbraw/zinc/75/78/42/429757842.db2.gz CRDHRLCFKJOAIA-CQSZACIVSA-N -1 3 321.323 2.696 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)C(C)(F)F ZINC000451073085 429761264 /nfs/dbraw/zinc/76/12/64/429761264.db2.gz YRKRJMJJBNZOIZ-ZETCQYMHSA-N -1 3 306.359 2.618 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cccc2cc(C)cnc21)C(F)F ZINC000451085939 429765904 /nfs/dbraw/zinc/76/59/04/429765904.db2.gz TVVCOTGXBCZIOM-LLVKDONJSA-N -1 3 314.357 2.865 20 0 DFADHM O=C(/C=C/c1cnn(-c2ccccc2)c1)[N-]OC/C=C\Cl ZINC000493476757 429770251 /nfs/dbraw/zinc/77/02/51/429770251.db2.gz DQXXXLGCTJPYLW-KCKXTUGSSA-N -1 3 303.749 2.686 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])nn1C1CCOCC1 ZINC000527661010 429775614 /nfs/dbraw/zinc/77/56/14/429775614.db2.gz XFSPRTVTBQBRNQ-UHFFFAOYSA-N -1 3 315.373 2.809 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCN2[C@H](C)CCC[C@H]2C)c1 ZINC000451175348 429781440 /nfs/dbraw/zinc/78/14/40/429781440.db2.gz JNLOLEUJPHQRBK-CHWSQXEVSA-N -1 3 316.492 2.598 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCCCN2C2CCCC2)n1 ZINC000431815710 429783996 /nfs/dbraw/zinc/78/39/96/429783996.db2.gz SECHLBLJENNSTH-AWEZNQCLSA-N -1 3 303.406 2.831 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC(n2cccn2)CC1 ZINC000368093418 429785177 /nfs/dbraw/zinc/78/51/77/429785177.db2.gz QOLBTZRLDTVRIN-UHFFFAOYSA-N -1 3 305.765 2.719 20 0 DFADHM COC(=O)c1c(C)nc(=O)[n-]c1SCCc1ccccc1F ZINC000431884322 429788722 /nfs/dbraw/zinc/78/87/22/429788722.db2.gz ULLVGUBTVXWOFF-UHFFFAOYSA-N -1 3 322.361 2.751 20 0 DFADHM C[C@H](N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)(C)O ZINC000451357277 429815272 /nfs/dbraw/zinc/81/52/72/429815272.db2.gz DBUQJGNFGGREJI-JTQLQIEISA-N -1 3 315.373 2.673 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCOC[C@@H]1c1ccco1 ZINC000368266736 429819521 /nfs/dbraw/zinc/81/95/21/429819521.db2.gz XTCSLNPGTDTPCE-CYBMUJFWSA-N -1 3 307.733 2.852 20 0 DFADHM CCc1cc(C(=O)N2CCOC[C@H]2c2ccco2)ccc1[O-] ZINC000368279634 429822931 /nfs/dbraw/zinc/82/29/31/429822931.db2.gz CBIZICNDNJWUTJ-AWEZNQCLSA-N -1 3 301.342 2.761 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCCO[C@@H](CC)C3)ccc2[n-]1 ZINC000451431435 429830124 /nfs/dbraw/zinc/83/01/24/429830124.db2.gz AUFBBCKYJSLCFT-ZDUSSCGKSA-N -1 3 317.389 2.603 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCCO[C@@H](CC)C3)cc2[n-]1 ZINC000451431435 429830127 /nfs/dbraw/zinc/83/01/27/429830127.db2.gz AUFBBCKYJSLCFT-ZDUSSCGKSA-N -1 3 317.389 2.603 20 0 DFADHM CCn1nnc(C)c1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000451479738 429833640 /nfs/dbraw/zinc/83/36/40/429833640.db2.gz NWNWXCINYJAPRU-UHFFFAOYSA-N -1 3 302.378 2.862 20 0 DFADHM CCCn1c(=O)[n-]nc1SCC(=O)C1CCC(F)(F)CC1 ZINC000432728400 429837493 /nfs/dbraw/zinc/83/74/93/429837493.db2.gz YJUBSTZLLKUHTF-UHFFFAOYSA-N -1 3 319.377 2.880 20 0 DFADHM Cc1ccccc1-c1nc(=NC2C[C@H]3CC[C@@H](C2)N3C)s[n-]1 ZINC000528028008 429838888 /nfs/dbraw/zinc/83/88/88/429838888.db2.gz KZLNXYRUZCGERF-AGUYFDCRSA-N -1 3 314.458 2.973 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCCc2cccc(C)n2)c1 ZINC000451527943 429842923 /nfs/dbraw/zinc/84/29/23/429842923.db2.gz DVPADMRMIUHJMC-UHFFFAOYSA-N -1 3 310.444 2.671 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1Cc2c1cccc2Cl ZINC000528140239 429852746 /nfs/dbraw/zinc/85/27/46/429852746.db2.gz QJXAAQVDXLIELA-ZETCQYMHSA-N -1 3 316.670 2.755 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1Cc2c1cccc2Cl ZINC000528140239 429852748 /nfs/dbraw/zinc/85/27/48/429852748.db2.gz QJXAAQVDXLIELA-ZETCQYMHSA-N -1 3 316.670 2.755 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1CCc2ccccc2CC1 ZINC000528136779 429853204 /nfs/dbraw/zinc/85/32/04/429853204.db2.gz CFKFEZCNOYNFKW-UHFFFAOYSA-N -1 3 324.306 2.957 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1CCc2ccccc2CC1 ZINC000528136779 429853210 /nfs/dbraw/zinc/85/32/10/429853210.db2.gz CFKFEZCNOYNFKW-UHFFFAOYSA-N -1 3 324.306 2.957 20 0 DFADHM CCc1nnc([N-]C(=O)c2cn(C)nc2-c2ccc(C)o2)s1 ZINC000528134238 429853351 /nfs/dbraw/zinc/85/33/51/429853351.db2.gz YTFMHESNOKEKLI-UHFFFAOYSA-N -1 3 317.374 2.655 20 0 DFADHM Cn1nccc1[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000368217547 429810110 /nfs/dbraw/zinc/81/01/10/429810110.db2.gz YYDJEFPHJISBNL-NSHDSACASA-N -1 3 319.792 2.799 20 0 DFADHM C[C@@H]([N-]c1nnc(C(F)F)o1)c1ccc(-n2cccn2)cc1 ZINC000432314789 429812739 /nfs/dbraw/zinc/81/27/39/429812739.db2.gz WWWPKSARBRDBSD-SECBINFHSA-N -1 3 305.288 3.366 20 0 DFADHM O=S(=O)([N-]CC1CC=CC1)c1ccc(Br)s1 ZINC000528469340 429891356 /nfs/dbraw/zinc/89/13/56/429891356.db2.gz GAXUSOHPBNFUBN-UHFFFAOYSA-N -1 3 322.249 2.755 20 0 DFADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1c1ncon1 ZINC000557006030 429925842 /nfs/dbraw/zinc/92/58/42/429925842.db2.gz MYOUGKFCCJANHD-AWEZNQCLSA-N -1 3 309.325 2.906 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)c(Cl)cc1F ZINC000451700898 429875633 /nfs/dbraw/zinc/87/56/33/429875633.db2.gz YOLCMCUPQBFGGX-GFCCVEGCSA-N -1 3 321.801 2.633 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(C(F)F)CCCC1 ZINC000558086753 429962192 /nfs/dbraw/zinc/96/21/92/429962192.db2.gz AYNYTQOVJDWZGN-UHFFFAOYSA-N -1 3 307.304 2.631 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(C(F)F)CCCC1 ZINC000558086753 429962197 /nfs/dbraw/zinc/96/21/97/429962197.db2.gz AYNYTQOVJDWZGN-UHFFFAOYSA-N -1 3 307.304 2.631 20 0 DFADHM CC(=O)c1cc(N[C@H](C)C(=O)[N-]c2cc(C)no2)ccc1C ZINC000573574243 429963553 /nfs/dbraw/zinc/96/35/53/429963553.db2.gz OYXSILJEZFBJNF-LLVKDONJSA-N -1 3 301.346 2.933 20 0 DFADHM CN(Cc1ccc(OC(F)F)cc1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000573570641 429963748 /nfs/dbraw/zinc/96/37/48/429963748.db2.gz JFFJNVBRDJWPDS-CQSZACIVSA-N -1 3 322.311 2.941 20 0 DFADHM CC1(C)CCc2cccc(NC([O-])=NOC[C@@H]3CCOC3)c2O1 ZINC000529303959 429987050 /nfs/dbraw/zinc/98/70/50/429987050.db2.gz LPSHHXSOBXRATJ-GFCCVEGCSA-N -1 3 320.389 2.880 20 0 DFADHM CC1(C)CCc2cccc(NC(=O)[N-]OC[C@@H]3CCOC3)c2O1 ZINC000529303959 429987054 /nfs/dbraw/zinc/98/70/54/429987054.db2.gz LPSHHXSOBXRATJ-GFCCVEGCSA-N -1 3 320.389 2.880 20 0 DFADHM CCCC[C@@H](CC)CC(=O)N1CC[C@@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000630722339 429967563 /nfs/dbraw/zinc/96/75/63/429967563.db2.gz ODCBTCQYRJCWKN-CHWSQXEVSA-N -1 3 320.437 2.687 20 0 DFADHM CC(C)(C)CCCCC(=O)N1CC[C@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000630721629 429967596 /nfs/dbraw/zinc/96/75/96/429967596.db2.gz UZYPQBZDURQBGX-LBPRGKRZSA-N -1 3 320.437 2.687 20 0 DFADHM CCOC(=O)C(C)(C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000573631009 429968274 /nfs/dbraw/zinc/96/82/74/429968274.db2.gz JAVRSUDWBZKIED-UHFFFAOYSA-N -1 3 305.374 2.651 20 0 DFADHM NC1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCC1 ZINC000573841301 429987219 /nfs/dbraw/zinc/98/72/19/429987219.db2.gz PRUYMVKEKGOXEI-UHFFFAOYSA-N -1 3 319.586 2.628 20 0 DFADHM [O-]c1cccnc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000558400909 429970024 /nfs/dbraw/zinc/97/00/24/429970024.db2.gz BGVMIORIOKCVLP-GOSISDBHSA-N -1 3 312.369 2.799 20 0 DFADHM O=c1cc(CN2CCC[C@@H]2c2cn[nH]c2)nc(-c2ccccc2)[n-]1 ZINC000639777108 429975729 /nfs/dbraw/zinc/97/57/29/429975729.db2.gz SEFFCKIEFRQUKE-MRXNPFEDSA-N -1 3 321.384 2.909 20 0 DFADHM O=C(Nc1cccc2ccncc21)c1cc(F)cc2[n-]nnc21 ZINC000558630917 429982221 /nfs/dbraw/zinc/98/22/21/429982221.db2.gz SXDMTIXDTPBLRH-UHFFFAOYSA-N -1 3 307.288 2.898 20 0 DFADHM O=C(Nc1cccc2ccncc21)c1cc(F)cc2nn[n-]c21 ZINC000558630917 429982224 /nfs/dbraw/zinc/98/22/24/429982224.db2.gz SXDMTIXDTPBLRH-UHFFFAOYSA-N -1 3 307.288 2.898 20 0 DFADHM O=C(Nc1cccc2ccncc21)c1cc(F)cc2n[n-]nc21 ZINC000558630917 429982227 /nfs/dbraw/zinc/98/22/27/429982227.db2.gz SXDMTIXDTPBLRH-UHFFFAOYSA-N -1 3 307.288 2.898 20 0 DFADHM COc1cc(C(=O)NC[C@H]2CC3CCC2CC3)cc(OC)c1[O-] ZINC000573803807 429984410 /nfs/dbraw/zinc/98/44/10/429984410.db2.gz AMESFQRNKAFAIU-ORHYLEIMSA-N -1 3 319.401 2.966 20 0 DFADHM Fc1ccc(-c2noc([N-]Cc3noc4c3CCCC4)n2)cc1 ZINC000624224876 429932621 /nfs/dbraw/zinc/93/26/21/429932621.db2.gz CQXXEBMOHCHOPD-UHFFFAOYSA-N -1 3 314.320 3.355 20 0 DFADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H](C)C1(F)F ZINC000636823381 429936563 /nfs/dbraw/zinc/93/65/63/429936563.db2.gz BOSGATSMJZGAFX-NXEZZACHSA-N -1 3 316.323 2.964 20 0 DFADHM CN(CCOc1ccccc1)CCOc1cccc(C(=O)[O-])c1 ZINC000573259384 429939365 /nfs/dbraw/zinc/93/93/65/429939365.db2.gz VKBFJBFSBVEHJH-UHFFFAOYSA-N -1 3 315.369 2.774 20 0 DFADHM O=C(N[C@@H]1CCN(c2ccccc2Cl)C1)c1csc(=O)[n-]1 ZINC000369407622 429939423 /nfs/dbraw/zinc/93/94/23/429939423.db2.gz MYXKYUIBDZTLCR-SECBINFHSA-N -1 3 323.805 2.511 20 0 DFADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1Cc2ccccc2C2(CC2)C1 ZINC000573337707 429944624 /nfs/dbraw/zinc/94/46/24/429944624.db2.gz XOXVKCTVCWXBFU-UHFFFAOYSA-N -1 3 321.380 2.747 20 0 DFADHM C[C@@H](C1CC1)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000573471265 429954108 /nfs/dbraw/zinc/95/41/08/429954108.db2.gz AFHQPIVBNFLAGK-QMMMGPOBSA-N -1 3 306.312 2.677 20 0 DFADHM C[C@H](CN(Cc1cccc(OC(C)(C)C)n1)C1CC1)C(=O)[O-] ZINC000574286257 430029728 /nfs/dbraw/zinc/02/97/28/430029728.db2.gz ZXUDTPCHUDBJRO-GFCCVEGCSA-N -1 3 306.406 2.944 20 0 DFADHM Cc1cc(OCCCNC(=O)C2CCCC2)cc2occ([O-])c21 ZINC000634561041 430035276 /nfs/dbraw/zinc/03/52/76/430035276.db2.gz IWOMNWJFKLJJHE-UHFFFAOYSA-N -1 3 317.385 2.645 20 0 DFADHM O=S(=O)(Cc1ccc(C2CCCCC2)cc1)c1nnc[n-]1 ZINC000560442315 430042905 /nfs/dbraw/zinc/04/29/05/430042905.db2.gz LVLQYBJJIYEWBF-UHFFFAOYSA-N -1 3 305.403 2.826 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N[C@@H](CF)c2ccc(F)cc2)on1 ZINC000634581206 430043520 /nfs/dbraw/zinc/04/35/20/430043520.db2.gz RGQHFNISFWNCLF-GWCFXTLKSA-N -1 3 309.316 2.750 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H]2[C@H]2CCCOC2)ccc1[O-] ZINC000574454811 430044221 /nfs/dbraw/zinc/04/42/21/430044221.db2.gz MWUGBKNVXVJNJZ-HOTGVXAUSA-N -1 3 303.402 2.986 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCC(Cc3nccs3)CC2)n1 ZINC000639986143 430046323 /nfs/dbraw/zinc/04/63/23/430046323.db2.gz QRWVWTAASYOCHU-UHFFFAOYSA-N -1 3 318.446 2.656 20 0 DFADHM CSc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)ccn1 ZINC000574508755 430047708 /nfs/dbraw/zinc/04/77/08/430047708.db2.gz KPMIDBJKUXOTAC-UHFFFAOYSA-N -1 3 310.342 2.792 20 0 DFADHM Cc1ncc(CNC(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c(=O)[n-]1 ZINC000573896103 429990691 /nfs/dbraw/zinc/99/06/91/429990691.db2.gz NHCMBNUQCLWRHI-GVXVVHGQSA-N -1 3 306.410 2.505 20 0 DFADHM O=c1cc(C[S@](=O)c2ccc(F)c(F)c2)nc(C2CC2)[n-]1 ZINC000574020859 430002686 /nfs/dbraw/zinc/00/26/86/430002686.db2.gz VMBCDSSZDPYBDK-NRFANRHFSA-N -1 3 310.325 2.646 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1sccc1Cl ZINC000574028101 430004230 /nfs/dbraw/zinc/00/42/30/430004230.db2.gz HWLKJVZIAJOGSL-UHFFFAOYSA-N -1 3 313.766 2.862 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1sccc1Cl ZINC000574028101 430004235 /nfs/dbraw/zinc/00/42/35/430004235.db2.gz HWLKJVZIAJOGSL-UHFFFAOYSA-N -1 3 313.766 2.862 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@H](F)C3)c[n-]c12 ZINC000574095245 430010432 /nfs/dbraw/zinc/01/04/32/430010432.db2.gz AURXGYFMTWBJIC-JTQLQIEISA-N -1 3 306.312 2.550 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@H](O)[C@H]3CCCC[C@@H]32)c([O-])c1C ZINC000634488395 430017483 /nfs/dbraw/zinc/01/74/83/430017483.db2.gz CYUQOYZBURPWKP-BPUTZDHNSA-N -1 3 303.402 2.775 20 0 DFADHM C[C@H]1CN(Cc2cnc(C(=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000530163812 430100722 /nfs/dbraw/zinc/10/07/22/430100722.db2.gz QVROOQRHLBTZSF-XJKSGUPXSA-N -1 3 311.385 2.800 20 0 DFADHM CC(=O)c1cccc(NC(=O)[C@@](C)(O)Cc2ccccc2)c1[O-] ZINC000561962809 430102517 /nfs/dbraw/zinc/10/25/17/430102517.db2.gz HJVKPNRLXCHILM-SFHVURJKSA-N -1 3 313.353 2.527 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCCn1ccnc1 ZINC000530327179 430110808 /nfs/dbraw/zinc/11/08/08/430110808.db2.gz VWCJJZKUBWWIKN-UHFFFAOYSA-N -1 3 319.380 2.647 20 0 DFADHM COC1(CS(=O)(=O)[N-]c2ccc(SC)cc2)CCC1 ZINC000634785267 430112080 /nfs/dbraw/zinc/11/20/80/430112080.db2.gz AUBGHVIJTHDGJZ-UHFFFAOYSA-N -1 3 301.433 2.719 20 0 DFADHM CCC1(CC)CC(=O)N(c2cc(F)c(F)cc2F)[N-]C1=O ZINC000634612115 430052525 /nfs/dbraw/zinc/05/25/25/430052525.db2.gz OIJQSEAQDPUFMU-UHFFFAOYSA-N -1 3 300.280 2.678 20 0 DFADHM O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc([O-])cc1F ZINC000529717303 430058022 /nfs/dbraw/zinc/05/80/22/430058022.db2.gz FMWAEZKCODVTCQ-ZDUSSCGKSA-N -1 3 306.381 2.668 20 0 DFADHM CC(C)c1c(-c2ccccc2)[n-]n(C2=N[C@H]3CCCC[C@@H]3N2)c1=O ZINC000634635911 430060957 /nfs/dbraw/zinc/06/09/57/430060957.db2.gz PYMZDXKQEJOILF-JYJNAYRXSA-N -1 3 324.428 2.776 20 0 DFADHM O=c1cc(-c2ccc(Cl)cc2)[n-]n1C1=N[C@H]2CCCC[C@@H]2N1 ZINC000634635772 430061015 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DFADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1ccc(F)cc1F ZINC000636350359 430520818 /nfs/dbraw/zinc/52/08/18/430520818.db2.gz YKKRHNHYKINXAA-SNVBAGLBSA-N -1 3 311.313 2.920 20 0 DFADHM COc1cccc(F)c1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000636357263 430523686 /nfs/dbraw/zinc/52/36/86/430523686.db2.gz ZSTFNINIAIWJLU-JTQLQIEISA-N -1 3 323.349 2.790 20 0 DFADHM Cc1cccc([O-])c1C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000636359137 430523737 /nfs/dbraw/zinc/52/37/37/430523737.db2.gz LYAPKSYFBKPOIK-SNVBAGLBSA-N -1 3 305.359 2.656 20 0 DFADHM CCn1c(=O)[n-]nc1SCCCc1nc2ccccc2[nH]1 ZINC000550013100 430535281 /nfs/dbraw/zinc/53/52/81/430535281.db2.gz ATZRDMNGOGNYMP-UHFFFAOYSA-N -1 3 303.391 2.605 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3OC4CCC3CC4)c[n-]c12 ZINC000636406949 430536947 /nfs/dbraw/zinc/53/69/47/430536947.db2.gz LRUZUJMTOIXWBV-UHFFFAOYSA-N -1 3 316.332 2.674 20 0 DFADHM CC(C)Cc1nnc([N-]C(=O)c2cnc3ccc[nH]c2-3)s1 ZINC000550162368 430539805 /nfs/dbraw/zinc/53/98/05/430539805.db2.gz GPJLRXXMUDGEKL-UHFFFAOYSA-N -1 3 301.375 2.865 20 0 DFADHM CO[C@@H]1C[C@@H](CC(=O)[O-])N(Cc2cccc(OC(C)C)c2)C1 ZINC000570522320 430550878 /nfs/dbraw/zinc/55/08/78/430550878.db2.gz ZUYRZHNMPRMQQM-GOEBONIOSA-N -1 3 307.390 2.538 20 0 DFADHM CCc1cc([N-]C(=O)c2csc(Cc3ccccc3)n2)no1 ZINC000606888372 430556541 /nfs/dbraw/zinc/55/65/41/430556541.db2.gz NAKDAAIJDGYJFA-UHFFFAOYSA-N -1 3 313.382 3.537 20 0 DFADHM CN(C[C@H]1COc2ccccc2O1)[C@H](C(=O)[O-])c1ccccc1 ZINC000570689833 430567831 /nfs/dbraw/zinc/56/78/31/430567831.db2.gz WVXVOSJWLKAKKN-YOEHRIQHSA-N -1 3 313.353 2.584 20 0 DFADHM C[C@@]1(c2ccccc2)CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000570814791 430580094 /nfs/dbraw/zinc/58/00/94/430580094.db2.gz VBYWFCLOAYTJSA-LJQANCHMSA-N -1 3 323.396 2.863 20 0 DFADHM CO[C@@H](Cc1ccccc1)CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000570852902 430583835 /nfs/dbraw/zinc/58/38/35/430583835.db2.gz CKWJYBFMVWHKOX-HNNXBMFYSA-N -1 3 317.385 2.976 20 0 DFADHM O=C(Nc1ccc([O-])cc1Cl)c1ccc(NCC2CC2)nc1 ZINC000616941093 430589340 /nfs/dbraw/zinc/58/93/40/430589340.db2.gz REVQASHKXLEWKY-UHFFFAOYSA-N -1 3 317.776 3.515 20 0 DFADHM CC(C)CCc1nnc([N-]C(=O)c2cc(Cl)ccn2)s1 ZINC000617097758 430589950 /nfs/dbraw/zinc/58/99/50/430589950.db2.gz ADVKEVOFLYLHBT-UHFFFAOYSA-N -1 3 310.810 3.427 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H](CC(F)(F)F)C1 ZINC000643357700 430590715 /nfs/dbraw/zinc/59/07/15/430590715.db2.gz KOVJMQLTIASMIM-SECBINFHSA-N -1 3 312.295 2.763 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H](CC(F)(F)F)C1 ZINC000643357700 430590717 /nfs/dbraw/zinc/59/07/17/430590717.db2.gz KOVJMQLTIASMIM-SECBINFHSA-N -1 3 312.295 2.763 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H](CC(F)(F)F)C1 ZINC000643357700 430590719 /nfs/dbraw/zinc/59/07/19/430590719.db2.gz KOVJMQLTIASMIM-SECBINFHSA-N -1 3 312.295 2.763 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000643357701 430591781 /nfs/dbraw/zinc/59/17/81/430591781.db2.gz KOVJMQLTIASMIM-VIFPVBQESA-N -1 3 312.295 2.763 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000643357701 430591783 /nfs/dbraw/zinc/59/17/83/430591783.db2.gz KOVJMQLTIASMIM-VIFPVBQESA-N -1 3 312.295 2.763 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000643357701 430591787 /nfs/dbraw/zinc/59/17/87/430591787.db2.gz KOVJMQLTIASMIM-VIFPVBQESA-N -1 3 312.295 2.763 20 0 DFADHM CC1(C)CN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CCN1 ZINC000552425151 430596964 /nfs/dbraw/zinc/59/69/64/430596964.db2.gz GAKZQFZDJNLYNX-UHFFFAOYSA-N -1 3 303.189 2.523 20 0 DFADHM O=C(Nc1c([O-])cccc1Cl)c1csc(NC2CC2)n1 ZINC000552432723 430597214 /nfs/dbraw/zinc/59/72/14/430597214.db2.gz YIGBFXJNIYXSAT-UHFFFAOYSA-N -1 3 309.778 3.329 20 0 DFADHM CCC(CC)N(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000552549750 430599425 /nfs/dbraw/zinc/59/94/25/430599425.db2.gz XUIQFCCWUVVOBT-UHFFFAOYSA-N -1 3 315.373 2.755 20 0 DFADHM CC(=O)c1cccc(NC(=O)CCOCC(F)(F)F)c1[O-] ZINC000570453465 430543770 /nfs/dbraw/zinc/54/37/70/430543770.db2.gz XOAVEOMTEGGTNL-UHFFFAOYSA-N -1 3 305.252 2.502 20 0 DFADHM CCc1cc(C(=O)NCCc2cn3cccc(C)c3n2)ccc1[O-] ZINC000644008196 430649789 /nfs/dbraw/zinc/64/97/89/430649789.db2.gz DFYVNQDVBRNENB-UHFFFAOYSA-N -1 3 323.396 2.883 20 0 DFADHM O=C([O-])CCN(CCc1cccnc1)Cc1ccc(F)c(F)c1 ZINC000571769018 430652490 /nfs/dbraw/zinc/65/24/90/430652490.db2.gz RQYCHVJYLNUEAU-UHFFFAOYSA-N -1 3 320.339 2.879 20 0 DFADHM COc1ccc([C@H]2CCN(Cc3cc(C(=O)[O-])co3)C2)cc1 ZINC000571769195 430652628 /nfs/dbraw/zinc/65/26/28/430652628.db2.gz RSJGHEKGCQGUQI-ZDUSSCGKSA-N -1 3 301.342 2.976 20 0 DFADHM CCS[C@H]1CCC[C@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000571830168 430656678 /nfs/dbraw/zinc/65/66/78/430656678.db2.gz OXNKNLYZZWYLNM-OCCSQVGLSA-N -1 3 316.430 2.876 20 0 DFADHM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571893412 430659361 /nfs/dbraw/zinc/65/93/61/430659361.db2.gz BFUMHGHACYTSKD-QWHCGFSZSA-N -1 3 301.390 2.616 20 0 DFADHM CC(C)=CCC[C@H](C)CC(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000571884088 430659533 /nfs/dbraw/zinc/65/95/33/430659533.db2.gz QZVXGNZXNIEPDE-ZDUSSCGKSA-N -1 3 303.406 2.840 20 0 DFADHM CCc1cc(C(=O)Nc2nnc(C(C)(C)C)s2)ccc1[O-] ZINC000553040870 430607081 /nfs/dbraw/zinc/60/70/81/430607081.db2.gz QXHFJKVFADZTCC-UHFFFAOYSA-N -1 3 305.403 3.356 20 0 DFADHM CCOc1cc(CN2Cc3cnn(C)c3C2)cc(Cl)c1[O-] ZINC000639321436 430608920 /nfs/dbraw/zinc/60/89/20/430608920.db2.gz UIMRFYZFWRPZFW-UHFFFAOYSA-N -1 3 307.781 2.694 20 0 DFADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1c[n-]c2ccncc2c1=O ZINC000553481850 430617808 /nfs/dbraw/zinc/61/78/08/430617808.db2.gz OJSHUUQVBXTHNM-WBMJQRKESA-N -1 3 311.385 2.622 20 0 DFADHM Cc1ccc(-c2[nH]nc(NC(=O)Cc3cncc([O-])c3)c2C)o1 ZINC000553532872 430619137 /nfs/dbraw/zinc/61/91/37/430619137.db2.gz UKQDWJJYTSULGU-UHFFFAOYSA-N -1 3 312.329 2.568 20 0 DFADHM COc1nnc([N-]C(=O)c2cc3cc(C)ccc3s2)s1 ZINC000643776238 430630427 /nfs/dbraw/zinc/63/04/27/430630427.db2.gz PURMUFABCNTINP-UHFFFAOYSA-N -1 3 305.384 3.322 20 0 DFADHM O=C([N-]c1nnc(C2CC2)s1)c1n[nH]c2ccc(Cl)cc21 ZINC000554301557 430632781 /nfs/dbraw/zinc/63/27/81/430632781.db2.gz QPYJSGLVMJTTPN-UHFFFAOYSA-N -1 3 319.777 3.198 20 0 DFADHM O=S(=O)([N-][C@H]1CCc2sc(Cl)cc21)c1cscn1 ZINC000571518876 430634609 /nfs/dbraw/zinc/63/46/09/430634609.db2.gz AORLWZHOZBEJIN-ZETCQYMHSA-N -1 3 320.848 2.824 20 0 DFADHM COc1cc2c(cc1CN1CCC[C@H](C)[C@@H]1C(=O)[O-])O[C@@H](C)C2 ZINC000571551362 430637212 /nfs/dbraw/zinc/63/72/12/430637212.db2.gz JAYGJMLAIDCPGW-NVGCLXPQSA-N -1 3 319.401 2.704 20 0 DFADHM C[C@@H]1CN(Cc2coc(-c3ccccc3)n2)C[C@@]1(C)C(=O)[O-] ZINC000571570805 430638370 /nfs/dbraw/zinc/63/83/70/430638370.db2.gz JOUGMUCQMMGXML-SJKOYZFVSA-N -1 3 300.358 2.884 20 0 DFADHM [O-]c1cccnc1CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000571925819 430661632 /nfs/dbraw/zinc/66/16/32/430661632.db2.gz XHRAVFRWPWVQJF-CZUORRHYSA-N -1 3 306.312 2.685 20 0 DFADHM CCc1nn(C)cc1CN[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000643898611 430641440 /nfs/dbraw/zinc/64/14/40/430641440.db2.gz RFNOGYZIUVTULA-INIZCTEOSA-N -1 3 301.390 2.515 20 0 DFADHM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000571649867 430642998 /nfs/dbraw/zinc/64/29/98/430642998.db2.gz WQYUDFGVKKKDLK-QGZVFWFLSA-N -1 3 313.357 2.566 20 0 DFADHM CCn1c(=O)[n-]nc1SCCC=Cc1cncc(OC)c1 ZINC000571679512 430645399 /nfs/dbraw/zinc/64/53/99/430645399.db2.gz LOCZUIQROPTDCX-GQCTYLIASA-N -1 3 306.391 2.603 20 0 DFADHM COc1cc(C)c(NC(=O)c2cc(C(F)F)[n-]n2)cc1OC ZINC000639466681 430646963 /nfs/dbraw/zinc/64/69/63/430646963.db2.gz ZHTIGPPUROSXEQ-UHFFFAOYSA-N -1 3 311.288 2.925 20 0 DFADHM CCc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000572039589 430668590 /nfs/dbraw/zinc/66/85/90/430668590.db2.gz WYDFRQRLIVTXNI-WWGRRREGSA-N -1 3 318.417 2.619 20 0 DFADHM Cc1oc(CN(C)C[C@@H](O)[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000572250278 430678436 /nfs/dbraw/zinc/67/84/36/430678436.db2.gz MFTQBLLCPTWYJZ-SJKOYZFVSA-N -1 3 317.385 2.883 20 0 DFADHM O=c1[n-]nc(SC[C@H]2CCCC2(F)F)n1C[C@H]1CCCO1 ZINC000556235121 430681929 /nfs/dbraw/zinc/68/19/29/430681929.db2.gz FUDUCCCIZZGEKY-NXEZZACHSA-N -1 3 319.377 2.690 20 0 DFADHM COc1cccc2c(C(=O)N3C[C@H](C)Oc4ccccc43)[n-]nc21 ZINC000362774253 278022947 /nfs/dbraw/zinc/02/29/47/278022947.db2.gz OWNOYABPJDNHHW-NSHDSACASA-N -1 3 323.352 2.999 20 0 DFADHM COc1cccc2c(C(=O)N3C[C@H](C)Oc4ccccc43)n[n-]c21 ZINC000362774253 278022950 /nfs/dbraw/zinc/02/29/50/278022950.db2.gz OWNOYABPJDNHHW-NSHDSACASA-N -1 3 323.352 2.999 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCc3cc[nH]c(=O)c3C2)c([O-])c1 ZINC000277960069 278028196 /nfs/dbraw/zinc/02/81/96/278028196.db2.gz WTWQJMHMPAKCIM-UHFFFAOYSA-N -1 3 312.369 2.815 20 0 DFADHM CO[C@@H]1CCN(Cc2ccccc2C(F)(F)F)[C@H](C(=O)[O-])C1 ZINC000572424344 430686884 /nfs/dbraw/zinc/68/68/84/430686884.db2.gz DQDUJWVNPXBRGU-YPMHNXCESA-N -1 3 317.307 2.769 20 0 DFADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CC[C@@H](COC(F)F)C1 ZINC000572543818 430690474 /nfs/dbraw/zinc/69/04/74/430690474.db2.gz ZEEMVTSSJOFCLC-SKDRFNHKSA-N -1 3 303.280 2.513 20 0 DFADHM Cc1oc(CN(C)CCN(C)Cc2ccccc2)cc1C(=O)[O-] ZINC000572532858 430689503 /nfs/dbraw/zinc/68/95/03/430689503.db2.gz HGCKYJVTTNVBLO-UHFFFAOYSA-N -1 3 316.401 2.850 20 0 DFADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(C2CCCC2)no1 ZINC000572718343 430696121 /nfs/dbraw/zinc/69/61/21/430696121.db2.gz TVSWRGWCYHZPSK-MJBXVCDLSA-N -1 3 319.405 2.945 20 0 DFADHM CC[C@@H](CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1)OC ZINC000572729105 430696537 /nfs/dbraw/zinc/69/65/37/430696537.db2.gz PDJASNRQLIAVMQ-LBPRGKRZSA-N -1 3 301.333 2.667 20 0 DFADHM CC1(C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)CC[C@H]1O ZINC000275743175 278320770 /nfs/dbraw/zinc/32/07/70/278320770.db2.gz CDELCAGIHPYCLR-MRXNPFEDSA-N -1 3 303.402 2.504 20 0 DFADHM CC(=O)c1cccc(NC(=O)c2ccc3c(c2)N(C)CC3)c1[O-] ZINC000556894299 430695801 /nfs/dbraw/zinc/69/58/01/430695801.db2.gz UQJUOIPSXNUQHA-UHFFFAOYSA-N -1 3 310.353 2.839 20 0 DFADHM CCc1ccc([C@H]2CCN(Cc3oncc3C(=O)[O-])C2)cc1 ZINC000572986751 430699033 /nfs/dbraw/zinc/69/90/33/430699033.db2.gz RJSIAOYLLRBIFD-AWEZNQCLSA-N -1 3 300.358 2.925 20 0 DFADHM CC(C)C[C@@H](CNCc1ncccc1C(F)(F)F)C(=O)[O-] ZINC000644182650 430702636 /nfs/dbraw/zinc/70/26/36/430702636.db2.gz KBUXONYUNVPTPF-JTQLQIEISA-N -1 3 304.312 2.937 20 0 DFADHM C[C@@](Cc1ccccc1)(NC(=O)c1csc(=O)[n-]1)C1CC1 ZINC000654500626 430714809 /nfs/dbraw/zinc/71/48/09/430714809.db2.gz HKVAQRPWGATRHK-INIZCTEOSA-N -1 3 302.399 2.990 20 0 DFADHM CCN(C(=O)CN1CCC[C@H](CC(=O)[O-])CC1)C1CCCCC1 ZINC000648421212 430781403 /nfs/dbraw/zinc/78/14/03/430781403.db2.gz VDLRQWBBUVOZKY-HNNXBMFYSA-N -1 3 324.465 2.744 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@H]2c2ccc(F)cc2)on1 ZINC000661510832 430743389 /nfs/dbraw/zinc/74/33/89/430743389.db2.gz JIHIBBGRYPWEFZ-FZMZJTMJSA-N -1 3 303.337 2.896 20 0 DFADHM CC(C)n1cc([C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)cn1 ZINC000648316808 430745870 /nfs/dbraw/zinc/74/58/70/430745870.db2.gz DKVFCQKVXVBMPG-LLVKDONJSA-N -1 3 305.353 2.729 20 0 DFADHM COc1c(Cl)cccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654589349 430749120 /nfs/dbraw/zinc/74/91/20/430749120.db2.gz KADRUDUNJXHFBN-UHFFFAOYSA-N -1 3 319.748 2.974 20 0 DFADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C[C@@H](C)C1=O ZINC000661539795 430753385 /nfs/dbraw/zinc/75/33/85/430753385.db2.gz TWFGOJKQNYSLOV-CHWSQXEVSA-N -1 3 311.385 2.506 20 0 DFADHM C[C@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H](CC(=O)[O-])CC1 ZINC000648422256 430783670 /nfs/dbraw/zinc/78/36/70/430783670.db2.gz MWXSRLSCEYYODO-FYRZTWFESA-N -1 3 324.465 2.647 20 0 DFADHM O=S(=O)(CCc1ccccc1Cl)c1nc2c([n-]1)CCC2 ZINC000644611966 430768414 /nfs/dbraw/zinc/76/84/14/430768414.db2.gz XKFXLDKHIQOKLN-UHFFFAOYSA-N -1 3 310.806 2.568 20 0 DFADHM CC[C@@H](C(=O)[O-])N(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000648400476 430774271 /nfs/dbraw/zinc/77/42/71/430774271.db2.gz SHKKAJRTQIGEJL-INIZCTEOSA-N -1 3 301.390 2.784 20 0 DFADHM CC(C)(C)OCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651541992 430817710 /nfs/dbraw/zinc/81/77/10/430817710.db2.gz QADCOSZOYABTPI-UHFFFAOYSA-N -1 3 309.790 2.573 20 0 DFADHM C[C@H]1SCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]1C ZINC000265373481 278531270 /nfs/dbraw/zinc/53/12/70/278531270.db2.gz ATSMSYBGWZUEOS-GHMZBOCLSA-N -1 3 302.399 2.906 20 0 DFADHM COc1cc(C)cc(-c2nc(-c3nc(C)c(C)[nH]3)no2)c1[O-] ZINC000665089782 430821855 /nfs/dbraw/zinc/82/18/55/430821855.db2.gz LKDBMXHYTDCAFJ-UHFFFAOYSA-N -1 3 300.318 2.766 20 0 DFADHM C[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccco1 ZINC000648433352 430784944 /nfs/dbraw/zinc/78/49/44/430784944.db2.gz YVWIEVPDNUJQHD-SSDOTTSWSA-N -1 3 321.686 2.856 20 0 DFADHM C[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C1CCC1 ZINC000648430908 430785331 /nfs/dbraw/zinc/78/53/31/430785331.db2.gz CBAGHTHCHUWQBB-ZETCQYMHSA-N -1 3 309.719 2.895 20 0 DFADHM C[C@@H]1CC[C@@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000648432021 430785649 /nfs/dbraw/zinc/78/56/49/430785649.db2.gz MUJQSKDBFCZJQF-HTQZYQBOSA-N -1 3 309.719 2.895 20 0 DFADHM CC[C@H](CC(C)C)C(=O)N=c1[n-]n(C)cc1Br ZINC000648439994 430787797 /nfs/dbraw/zinc/78/77/97/430787797.db2.gz BYXYXDKYIKFOAO-SECBINFHSA-N -1 3 302.216 2.615 20 0 DFADHM CCC[C@]1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)CCOC1 ZINC000651702916 430853295 /nfs/dbraw/zinc/85/32/95/430853295.db2.gz HKGNUKFHEFWGRG-ZDUSSCGKSA-N -1 3 321.801 2.717 20 0 DFADHM O=C(c1scc2c1OCCO2)N1CCCc2cccc([O-])c21 ZINC000654975754 430854548 /nfs/dbraw/zinc/85/45/48/430854548.db2.gz UFFKFKUPCSPBHD-UHFFFAOYSA-N -1 3 317.366 2.818 20 0 DFADHM CO[C@@H](C[N-]c1nnc(C(F)F)o1)c1ccccc1Cl ZINC000644937928 430872325 /nfs/dbraw/zinc/87/23/25/430872325.db2.gz KWDAQIHQSXHPRL-VIFPVBQESA-N -1 3 303.696 3.460 20 0 DFADHM O=C([C@H]1CCC[C@@H]1c1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000655027364 430872560 /nfs/dbraw/zinc/87/25/60/430872560.db2.gz YSMCEOYCAKYUOX-CABCVRRESA-N -1 3 323.396 2.651 20 0 DFADHM Cc1cccc2c1CN(C(=O)c1cc(=O)[n-]c(C3CC3)n1)CC2 ZINC000655029178 430873862 /nfs/dbraw/zinc/87/38/62/430873862.db2.gz RIFDYSFLPAXODM-UHFFFAOYSA-N -1 3 309.369 2.567 20 0 DFADHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651795574 430879144 /nfs/dbraw/zinc/87/91/44/430879144.db2.gz 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O=C(NCCc1cn[nH]c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436981226 297049747 /nfs/dbraw/zinc/04/97/47/297049747.db2.gz QCRJJYIPOWEVGL-UHFFFAOYSA-N -1 3 321.380 2.679 20 0 DFADHM COc1ccccc1OC[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC000436915021 297044513 /nfs/dbraw/zinc/04/45/13/297044513.db2.gz MOWDYKDADOCHCM-ZDUSSCGKSA-N -1 3 315.369 2.846 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)c2cccc(OC)c2[O-])C12CCCC2 ZINC000436918275 297045084 /nfs/dbraw/zinc/04/50/84/297045084.db2.gz FVQDLYKCCKWUTG-GJZGRUSLSA-N -1 3 319.401 2.868 20 0 DFADHM Cc1cc(C(=O)N[C@H](c2nnc3ccccn32)C(C)C)ccc1[O-] ZINC000436926310 297045218 /nfs/dbraw/zinc/04/52/18/297045218.db2.gz JMYWIPWMVUVQLK-INIZCTEOSA-N -1 3 324.384 2.870 20 0 DFADHM COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000436927997 297045366 /nfs/dbraw/zinc/04/53/66/297045366.db2.gz AXSYFEOTFQTQCR-HUUCEWRRSA-N -1 3 319.401 2.942 20 0 DFADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccn(C)n1 ZINC000436931357 297045793 /nfs/dbraw/zinc/04/57/93/297045793.db2.gz 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319.382 2.610 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC000157746285 295352863 /nfs/dbraw/zinc/35/28/63/295352863.db2.gz FABFHEZADFSFOH-VXGBXAGGSA-N -1 3 321.801 2.715 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000157901585 295355224 /nfs/dbraw/zinc/35/52/24/295355224.db2.gz CKVFKFXZSAAIPT-BDAKNGLRSA-N -1 3 309.840 2.637 20 0 DFADHM COc1ccccc1CN(CCCCC(=O)[O-])C[C@@H]1CCCO1 ZINC000181546531 295360579 /nfs/dbraw/zinc/36/05/79/295360579.db2.gz IHDDPKRQLODRQN-INIZCTEOSA-N -1 3 321.417 2.931 20 0 DFADHM CCCc1nnc([N-]C(=O)c2sc(COC)nc2C)s1 ZINC000158365981 295361967 /nfs/dbraw/zinc/36/19/67/295361967.db2.gz UIVLDTHRIUEWRS-UHFFFAOYSA-N -1 3 312.420 2.654 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCO[C@@H]2CCC[C@@H]21 ZINC000370693530 295462093 /nfs/dbraw/zinc/46/20/93/295462093.db2.gz CBLIVYJGQQZUHR-LSDHHAIUSA-N -1 3 309.793 2.758 20 0 DFADHM CCOc1ccccc1OCCN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405367557 295502185 /nfs/dbraw/zinc/50/21/85/295502185.db2.gz 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CCOC(=O)c1cc(NC(=O)c2cc(C)n(C(C)C)c2C)n[n-]1 ZINC000181751749 316071312 /nfs/dbraw/zinc/07/13/12/316071312.db2.gz MSEJUQIZIWPVGN-UHFFFAOYSA-N -1 3 318.377 2.838 20 0 DFADHM CCOC(=O)c1cc(NC(=O)c2cc(C)n(C(C)C)c2C)[n-]n1 ZINC000181751749 316071319 /nfs/dbraw/zinc/07/13/19/316071319.db2.gz MSEJUQIZIWPVGN-UHFFFAOYSA-N -1 3 318.377 2.838 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2cc(CC)ccn2)c([O-])c1 ZINC000181937316 316079122 /nfs/dbraw/zinc/07/91/22/316079122.db2.gz SMCSXWAPUNAFIC-UHFFFAOYSA-N -1 3 314.341 2.779 20 0 DFADHM O=C(NC[C@@H]1CCCc2ccccc21)c1cccc2nn[n-]c21 ZINC000182702272 316114402 /nfs/dbraw/zinc/11/44/02/316114402.db2.gz BWCDHMHSOFXKBA-ZDUSSCGKSA-N -1 3 306.369 2.808 20 0 DFADHM O=C(NC[C@@H]1CCCc2ccccc21)c1cccc2[n-]nnc21 ZINC000182702272 316114404 /nfs/dbraw/zinc/11/44/04/316114404.db2.gz BWCDHMHSOFXKBA-ZDUSSCGKSA-N -1 3 306.369 2.808 20 0 DFADHM O=C(NC[C@@H]1CCCc2ccccc21)c1cccc2n[n-]nc21 ZINC000182702272 316114406 /nfs/dbraw/zinc/11/44/06/316114406.db2.gz BWCDHMHSOFXKBA-ZDUSSCGKSA-N -1 3 306.369 2.808 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000182746043 316116599 /nfs/dbraw/zinc/11/65/99/316116599.db2.gz PCXKRBADVHAGRG-AWEZNQCLSA-N -1 3 324.359 2.944 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000182746043 316116602 /nfs/dbraw/zinc/11/66/02/316116602.db2.gz PCXKRBADVHAGRG-AWEZNQCLSA-N -1 3 324.359 2.944 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000182746043 316116606 /nfs/dbraw/zinc/11/66/06/316116606.db2.gz PCXKRBADVHAGRG-AWEZNQCLSA-N -1 3 324.359 2.944 20 0 DFADHM COc1ccc(CC[C@@H](C)NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000182747334 316116856 /nfs/dbraw/zinc/11/68/56/316116856.db2.gz ZHPANPRLUGGYSR-GFCCVEGCSA-N -1 3 324.384 2.718 20 0 DFADHM COc1ccc(CC[C@@H](C)NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000182747334 316116860 /nfs/dbraw/zinc/11/68/60/316116860.db2.gz ZHPANPRLUGGYSR-GFCCVEGCSA-N -1 3 324.384 2.718 20 0 DFADHM COc1ccc(CC[C@@H](C)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000182747334 316116864 /nfs/dbraw/zinc/11/68/64/316116864.db2.gz ZHPANPRLUGGYSR-GFCCVEGCSA-N -1 3 324.384 2.718 20 0 DFADHM Cc1cnc(CNC(=O)c2ccc3c(c2[O-])CCCC3)s1 ZINC000182872452 316121876 /nfs/dbraw/zinc/12/18/76/316121876.db2.gz XUPALAPQJCYIDH-UHFFFAOYSA-N -1 3 302.399 2.966 20 0 DFADHM CCOC(=O)c1cc(NC(=O)Cc2c(C)cc(C)cc2C)n[n-]1 ZINC000183273971 316136660 /nfs/dbraw/zinc/13/66/60/316136660.db2.gz KUDOSFZHKKXNJD-UHFFFAOYSA-N -1 3 315.373 2.693 20 0 DFADHM CCOC(=O)c1cc(NC(=O)Cc2c(C)cc(C)cc2C)[n-]n1 ZINC000183273971 316136663 /nfs/dbraw/zinc/13/66/63/316136663.db2.gz KUDOSFZHKKXNJD-UHFFFAOYSA-N -1 3 315.373 2.693 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n[n-]1 ZINC000183275023 316136720 /nfs/dbraw/zinc/13/67/20/316136720.db2.gz HLWORWXMXRAHQZ-VXGBXAGGSA-N -1 3 305.378 2.741 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)[n-]n1 ZINC000183275023 316136721 /nfs/dbraw/zinc/13/67/21/316136721.db2.gz HLWORWXMXRAHQZ-VXGBXAGGSA-N -1 3 305.378 2.741 20 0 DFADHM COC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(C)no2)c1C ZINC000184166972 316160668 /nfs/dbraw/zinc/16/06/68/316160668.db2.gz BPTCLTAYOLFQJT-UHFFFAOYSA-N -1 3 308.721 2.984 20 0 DFADHM Cc1ccc(C(=O)NCC(=O)Nc2cccc([O-])c2F)cc1C ZINC000184230922 316162407 /nfs/dbraw/zinc/16/24/07/316162407.db2.gz QLMSHYZIWOCNII-UHFFFAOYSA-N -1 3 316.332 2.517 20 0 DFADHM CCC(CC)Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000185533430 316188215 /nfs/dbraw/zinc/18/82/15/316188215.db2.gz DEBVEHYVNIWGBY-UHFFFAOYSA-N -1 3 321.402 2.694 20 0 DFADHM Cn1nc(CC(C)(C)C)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000187825705 316215481 /nfs/dbraw/zinc/21/54/81/316215481.db2.gz ICUKOHCRVQIWJU-UHFFFAOYSA-N -1 3 312.377 2.532 20 0 DFADHM Cn1nc(CC(C)(C)C)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000187825705 316215484 /nfs/dbraw/zinc/21/54/84/316215484.db2.gz ICUKOHCRVQIWJU-UHFFFAOYSA-N -1 3 312.377 2.532 20 0 DFADHM Cn1nc(CC(C)(C)C)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000187825705 316215489 /nfs/dbraw/zinc/21/54/89/316215489.db2.gz ICUKOHCRVQIWJU-UHFFFAOYSA-N -1 3 312.377 2.532 20 0 DFADHM C[C@H](CNC(=O)c1cccc2nn[n-]c21)Cc1cccs1 ZINC000188152296 316218451 /nfs/dbraw/zinc/21/84/51/316218451.db2.gz NCOXJHMFHZZIHX-JTQLQIEISA-N -1 3 300.387 2.628 20 0 DFADHM C[C@H](CNC(=O)c1cccc2[n-]nnc21)Cc1cccs1 ZINC000188152296 316218454 /nfs/dbraw/zinc/21/84/54/316218454.db2.gz NCOXJHMFHZZIHX-JTQLQIEISA-N -1 3 300.387 2.628 20 0 DFADHM C[C@H](CNC(=O)c1cccc2n[n-]nc21)Cc1cccs1 ZINC000188152296 316218457 /nfs/dbraw/zinc/21/84/57/316218457.db2.gz NCOXJHMFHZZIHX-JTQLQIEISA-N -1 3 300.387 2.628 20 0 DFADHM Cc1cc(NC(=O)[C@@H](N)CC2CCCCC2)ccc1C(=O)[O-] ZINC000319385278 316251033 /nfs/dbraw/zinc/25/10/33/316251033.db2.gz RWFCJXLZFIBNHJ-HNNXBMFYSA-N -1 3 304.390 2.929 20 0 DFADHM CC1(C)CN(c2c(C(=O)[O-])cnc3ccccc32)CC[C@H]1O ZINC000319497233 316251477 /nfs/dbraw/zinc/25/14/77/316251477.db2.gz BEFCBRNJDRKOHJ-CQSZACIVSA-N -1 3 300.358 2.530 20 0 DFADHM CCOc1ccc(C(C)=O)cc1CN1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000322533133 316258116 /nfs/dbraw/zinc/25/81/16/316258116.db2.gz XLGMQVIQQNQXNF-LRDDRELGSA-N -1 3 319.401 2.973 20 0 DFADHM CC(C)Oc1ncccc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350477157 316392703 /nfs/dbraw/zinc/39/27/03/316392703.db2.gz GHJPWKRMJJCXIA-UHFFFAOYSA-N -1 3 322.328 2.857 20 0 DFADHM COC(=O)c1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)[n-]1 ZINC000350529156 316396864 /nfs/dbraw/zinc/39/68/64/316396864.db2.gz YQTYJEWTWRWTPP-UHFFFAOYSA-N -1 3 305.240 2.797 20 0 DFADHM Cc1nsc(C)c1-c1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000350533046 316397599 /nfs/dbraw/zinc/39/75/99/316397599.db2.gz BSIKTLZPZSMODF-UHFFFAOYSA-N -1 3 317.374 2.513 20 0 DFADHM CN(C)C(=O)c1cccc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000350567183 316403755 /nfs/dbraw/zinc/40/37/55/316403755.db2.gz GEFQHZYUMZALIP-UHFFFAOYSA-N -1 3 309.325 2.811 20 0 DFADHM CCOc1cc(-c2noc([C@H]3CCOC[C@@H]3C)n2)ccc1[O-] ZINC000350585201 316407941 /nfs/dbraw/zinc/40/79/41/316407941.db2.gz AXFBNVMQBPILRM-JQWIXIFHSA-N -1 3 304.346 2.981 20 0 DFADHM CCOc1ncccc1-c1noc(/C=C/c2cncc([O-])c2)n1 ZINC000350637524 316416062 /nfs/dbraw/zinc/41/60/62/316416062.db2.gz TYWATPKXPOOHAF-AATRIKPKSA-N -1 3 310.313 2.801 20 0 DFADHM CC(C)(C)n1cc(-c2noc(/C=C/c3cncc([O-])c3)n2)cn1 ZINC000350929469 316443044 /nfs/dbraw/zinc/44/30/44/316443044.db2.gz YRXQELCRSGXMHT-SNAWJCMRSA-N -1 3 311.345 2.959 20 0 DFADHM COc1cc(-c2noc(CCCC(=O)C3CC3)n2)ccc1[O-] ZINC000351056299 316457897 /nfs/dbraw/zinc/45/78/97/316457897.db2.gz WCQQGPWVGAQRNC-UHFFFAOYSA-N -1 3 302.330 2.753 20 0 DFADHM CCOc1cc(-c2noc(/C=C/[C@H]3CCOC3)n2)ccc1[O-] ZINC000351090872 316464519 /nfs/dbraw/zinc/46/45/19/316464519.db2.gz DRLKGUWUFIEZIT-GQOHGMTASA-N -1 3 302.330 2.891 20 0 DFADHM C[C@H](OCCc1ccccc1)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351366756 316516331 /nfs/dbraw/zinc/51/63/31/316516331.db2.gz HRIRHGPPHNBYBZ-NSHDSACASA-N -1 3 312.329 2.553 20 0 DFADHM Cc1ccc(F)c(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c1 ZINC000426645755 316822280 /nfs/dbraw/zinc/82/22/80/316822280.db2.gz HZINGWFPYAJNIQ-MRXNPFEDSA-N -1 3 321.323 2.895 20 0 DFADHM COC[C@H](NC(=O)c1cccc(OC)c1[O-])c1ccc(F)cc1 ZINC000437755391 316933514 /nfs/dbraw/zinc/93/35/14/316933514.db2.gz DHBQETATDFKLFN-AWEZNQCLSA-N -1 3 319.332 2.657 20 0 DFADHM COc1cc(C(=O)N2CCCC[C@H]2c2cnn(C)c2)ccc1[O-] ZINC000442822496 316945119 /nfs/dbraw/zinc/94/51/19/316945119.db2.gz OUGUGVDWPRGQLB-AWEZNQCLSA-N -1 3 315.373 2.502 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)c(F)c1 ZINC000443390672 316953866 /nfs/dbraw/zinc/95/38/66/316953866.db2.gz WPUKDWZHYPUUEE-GFCCVEGCSA-N -1 3 323.389 2.749 20 0 DFADHM C[C@@H]1COCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000444410961 316981670 /nfs/dbraw/zinc/98/16/70/316981670.db2.gz KQSGLCUDINPQST-PSASIEDQSA-N -1 3 319.279 2.902 20 0 DFADHM CC(=O)c1sc2[n-]c(CSc3ncco3)nc(=O)c2c1C ZINC000446072957 317003269 /nfs/dbraw/zinc/00/32/69/317003269.db2.gz WNXJFQXNLHVRSN-UHFFFAOYSA-N -1 3 321.383 2.776 20 0 DFADHM COc1nnc(NC(=O)c2cccc3c2ccn3CC(C)C)[n-]1 ZINC000446296972 317009034 /nfs/dbraw/zinc/00/90/34/317009034.db2.gz KAEABYWQFPLNCI-UHFFFAOYSA-N -1 3 313.361 2.676 20 0 DFADHM COc1nc(NC(=O)c2cccc3c2ccn3CC(C)C)n[n-]1 ZINC000446296972 317009039 /nfs/dbraw/zinc/00/90/39/317009039.db2.gz KAEABYWQFPLNCI-UHFFFAOYSA-N -1 3 313.361 2.676 20 0 DFADHM COc1n[n-]c(NC(=O)c2cccc3c2ccn3CC(C)C)n1 ZINC000446296972 317009043 /nfs/dbraw/zinc/00/90/43/317009043.db2.gz KAEABYWQFPLNCI-UHFFFAOYSA-N -1 3 313.361 2.676 20 0 DFADHM CCc1ccc(C(=O)Nc2cc(C)cc(OCCO)c2)c([O-])c1 ZINC000446713683 317019089 /nfs/dbraw/zinc/01/90/89/317019089.db2.gz ZCLPIUZVXUHWAG-UHFFFAOYSA-N -1 3 315.369 2.886 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)NCCC[C@H]1CCCC[C@@H]1O ZINC000450174827 317066157 /nfs/dbraw/zinc/06/61/57/317066157.db2.gz USVVPULWPJVMIT-HIFRSBDPSA-N -1 3 309.381 2.521 20 0 DFADHM C[C@H](O)[C@H]1CCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000450507606 317101881 /nfs/dbraw/zinc/10/18/81/317101881.db2.gz SWPRUKOHAGNUTR-BBRMVZONSA-N -1 3 313.397 2.707 20 0 DFADHM O=C(c1ccc([O-])cc1)N1CCN(CC2=CCCCC2)CC1 ZINC000450516469 317105168 /nfs/dbraw/zinc/10/51/68/317105168.db2.gz KPJVGFFKEQYZQB-UHFFFAOYSA-N -1 3 300.402 2.650 20 0 DFADHM CCC[C@@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)C(C)(C)C ZINC000451439668 317111539 /nfs/dbraw/zinc/11/15/39/317111539.db2.gz OGKQQUIKHSFJSL-CQSZACIVSA-N -1 3 323.462 2.813 20 0 DFADHM COCC1(C[N-]S(=O)(=O)c2c(C)cccc2F)CCCC1 ZINC000452042749 317121995 /nfs/dbraw/zinc/12/19/95/317121995.db2.gz FOEBMXHPPBIIBC-UHFFFAOYSA-N -1 3 315.410 2.619 20 0 DFADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCOC(C)(C)C1 ZINC000452138203 317122741 /nfs/dbraw/zinc/12/27/41/317122741.db2.gz DETLRTXSDYJBQE-CYBMUJFWSA-N -1 3 309.381 2.880 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2C)[n-]c(=O)n1 ZINC000456836749 317256836 /nfs/dbraw/zinc/25/68/36/317256836.db2.gz IBWIQCUVXIPSPX-HNNXBMFYSA-N -1 3 315.348 2.915 20 0 DFADHM CO[C@H]1C[C@H](N(C)C(=O)NCc2ccc([O-])c(F)c2)C12CCC2 ZINC000458420024 317275620 /nfs/dbraw/zinc/27/56/20/317275620.db2.gz PCSVACUPPCMHKF-GJZGRUSLSA-N -1 3 322.380 2.630 20 0 DFADHM CCCO[C@@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459338561 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313.386 2.700 20 0 DFADHM O=S(=O)([N-]CCc1ccc(F)c(F)c1)c1ccccc1F ZINC000190945217 323233298 /nfs/dbraw/zinc/23/32/98/323233298.db2.gz QOJCZOJPPLWMCT-UHFFFAOYSA-N -1 3 315.316 2.625 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N(Cc1ccco1)CC(F)(F)F ZINC000192922188 323249613 /nfs/dbraw/zinc/24/96/13/323249613.db2.gz OHRLFGUSTGVHDX-UHFFFAOYSA-N -1 3 324.262 2.756 20 0 DFADHM O=C(Nc1cccc([O-])c1F)c1ncccc1Br ZINC000193706866 323257054 /nfs/dbraw/zinc/25/70/54/323257054.db2.gz ANFQYKUHJHAYKB-UHFFFAOYSA-N -1 3 311.110 2.941 20 0 DFADHM O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000379424825 323288373 /nfs/dbraw/zinc/28/83/73/323288373.db2.gz BNWWRLMJKWBOTC-MRXNPFEDSA-N -1 3 310.397 2.787 20 0 DFADHM COC[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000380853444 323292715 /nfs/dbraw/zinc/29/27/15/323292715.db2.gz UCWGTXGAHUIBMR-AWEZNQCLSA-N -1 3 318.200 2.917 20 0 DFADHM O=C([O-])c1cnccc1N1CC[C@@H](COCc2ccccc2)C1 ZINC000383828685 323305832 /nfs/dbraw/zinc/30/58/32/323305832.db2.gz ITZQIIXWXFCKPP-OAHLLOKOSA-N -1 3 312.369 2.823 20 0 DFADHM O=C([O-])CCC1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000390606575 323342914 /nfs/dbraw/zinc/34/29/14/323342914.db2.gz VRPSPLTUZUOVLW-UHFFFAOYSA-N -1 3 313.401 2.949 20 0 DFADHM COc1cc2c(cc1CN1C[C@H](C)C[C@@H](C(=O)[O-])C1)O[C@H](C)C2 ZINC000398674813 323357756 /nfs/dbraw/zinc/35/77/56/323357756.db2.gz GRQBRNGJWRTXFC-LALPHHSUSA-N -1 3 319.401 2.561 20 0 DFADHM O=C(/C=C/c1ccc2ccccc2n1)NCc1ncccc1[O-] ZINC000491980322 323360598 /nfs/dbraw/zinc/36/05/98/323360598.db2.gz GEBCAJFEXRLUKT-MDZDMXLPSA-N -1 3 305.337 2.665 20 0 DFADHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000580464389 323391137 /nfs/dbraw/zinc/39/11/37/323391137.db2.gz OPBVIYLHNWUYCP-CQSZACIVSA-N -1 3 314.385 2.530 20 0 DFADHM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc(F)cc2nn[n-]c21 ZINC000580535357 323398943 /nfs/dbraw/zinc/39/89/43/323398943.db2.gz ZWPXFCHDGSYEBP-CMPLNLGQSA-N -1 3 302.353 2.653 20 0 DFADHM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc(F)cc2[n-]nnc21 ZINC000580535357 323398947 /nfs/dbraw/zinc/39/89/47/323398947.db2.gz ZWPXFCHDGSYEBP-CMPLNLGQSA-N -1 3 302.353 2.653 20 0 DFADHM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc(F)cc2n[n-]nc21 ZINC000580535357 323398950 /nfs/dbraw/zinc/39/89/50/323398950.db2.gz ZWPXFCHDGSYEBP-CMPLNLGQSA-N -1 3 302.353 2.653 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1[O-] ZINC000580701068 323422235 /nfs/dbraw/zinc/42/22/35/323422235.db2.gz GRAAMJBKKDSNQN-CVEARBPZSA-N -1 3 317.385 2.624 20 0 DFADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000580850876 323442980 /nfs/dbraw/zinc/44/29/80/323442980.db2.gz SIYIJCKSJWQRAH-GFCCVEGCSA-N -1 3 324.384 2.577 20 0 DFADHM CO[C@@H](CNCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000581120795 323478008 /nfs/dbraw/zinc/47/80/08/323478008.db2.gz BHLYTPLAAFGIER-AWEZNQCLSA-N -1 3 309.749 2.789 20 0 DFADHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1 ZINC000581153762 323483561 /nfs/dbraw/zinc/48/35/61/323483561.db2.gz JVKPJRMACVZNMN-GFCCVEGCSA-N -1 3 307.337 2.923 20 0 DFADHM O=C(NCCc1ccc2c(c1)OCO2)c1cc([O-])ccc1Cl ZINC000581220046 323491875 /nfs/dbraw/zinc/49/18/75/323491875.db2.gz IJVKLVRLMSFGBG-UHFFFAOYSA-N -1 3 319.744 2.747 20 0 DFADHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C)cs1 ZINC000581499980 323533185 /nfs/dbraw/zinc/53/31/85/323533185.db2.gz ZFETVYCHGAHICA-QWHCGFSZSA-N -1 3 323.439 2.900 20 0 DFADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C(C)(C)C(C)C ZINC000582160655 323625214 /nfs/dbraw/zinc/62/52/14/323625214.db2.gz KXFBYLFOIWGHKF-UHFFFAOYSA-N -1 3 319.448 2.556 20 0 DFADHM CC[C@@H](O)CC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000582827332 323743407 /nfs/dbraw/zinc/74/34/07/323743407.db2.gz SZLCRHCDAUVYLZ-MRVPVSSYSA-N -1 3 302.168 2.563 20 0 DFADHM CC[C@H](O)CC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000582827333 323743485 /nfs/dbraw/zinc/74/34/85/323743485.db2.gz SZLCRHCDAUVYLZ-QMMMGPOBSA-N -1 3 302.168 2.563 20 0 DFADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)C[C@H]2CCCC2(F)F)n1 ZINC000582886467 323754345 /nfs/dbraw/zinc/75/43/45/323754345.db2.gz WDJSUFRQYZQQNZ-NXEZZACHSA-N -1 3 324.418 2.867 20 0 DFADHM O=C([O-])c1cnc2ccccc2c1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000582912327 323761187 /nfs/dbraw/zinc/76/11/87/323761187.db2.gz YNVBMPSHTGRCTH-OLZOCXBDSA-N -1 3 312.369 2.796 20 0 DFADHM CCCCCNC(=O)Cc1noc(-c2cccc(CC)c2[O-])n1 ZINC000583544413 323874221 /nfs/dbraw/zinc/87/42/21/323874221.db2.gz HFZFDQJZVARFLZ-UHFFFAOYSA-N -1 3 317.389 2.854 20 0 DFADHM CCC[C@H](C)S(=O)(=O)[N-]c1ccc(C(=O)OC)c(F)c1 ZINC000583755911 323909311 /nfs/dbraw/zinc/90/93/11/323909311.db2.gz IKKYFQPJUBSRJC-VIFPVBQESA-N -1 3 303.355 2.543 20 0 DFADHM CO[C@H](CS(=O)(=O)[N-]c1c(F)cccc1Cl)C1CC1 ZINC000583812785 323917787 /nfs/dbraw/zinc/91/77/87/323917787.db2.gz ULIDXHULFXGDAT-LLVKDONJSA-N -1 3 307.774 2.646 20 0 DFADHM COc1cccc(C[S@@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000584278925 332204409 /nfs/dbraw/zinc/20/44/09/332204409.db2.gz QCNFGDDSPHUKEI-JOCHJYFZSA-N -1 3 318.398 2.517 20 0 DFADHM CCO[C@H]1C[C@H](N(C)Cc2oncc2C(=O)[O-])C1(CC)CC ZINC000584415906 337322242 /nfs/dbraw/zinc/32/22/42/337322242.db2.gz CSJPSVMSRYQLEB-KBPBESRZSA-N -1 3 310.394 2.788 20 0 DFADHM Cc1c(CN(C)Cc2cc([O-])ccc2Br)cnn1C ZINC000584570208 337363660 /nfs/dbraw/zinc/36/36/60/337363660.db2.gz SQBZYOVIUUMONA-UHFFFAOYSA-N -1 3 324.222 2.829 20 0 DFADHM O=C([O-])CN(Cc1cc(Cl)c2c(c1)OCCCO2)C1CC1 ZINC000037598342 337365752 /nfs/dbraw/zinc/36/57/52/337365752.db2.gz GHBQEQXSFCLUEI-UHFFFAOYSA-N -1 3 311.765 2.550 20 0 DFADHM O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1csc(=O)[n-]1 ZINC000348856635 501061790 /nfs/dbraw/zinc/06/17/90/501061790.db2.gz QNXKQVOKKFBHKH-JTQLQIEISA-N -1 3 316.304 2.752 20 0 DFADHM Cc1cc(F)c(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1F ZINC000294489294 533809250 /nfs/dbraw/zinc/80/92/50/533809250.db2.gz JROUDZYGYOJTEQ-UHFFFAOYSA-N -1 3 320.221 2.591 20 0 DFADHM Cc1cc(F)c(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1F ZINC000294489294 533809258 /nfs/dbraw/zinc/80/92/58/533809258.db2.gz JROUDZYGYOJTEQ-UHFFFAOYSA-N -1 3 320.221 2.591 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC2CCCC2)c1 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CC[C@@H](C)[C@H](NC(C)=O)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000354521042 522384940 /nfs/dbraw/zinc/38/49/40/522384940.db2.gz MDARJFQQUNBKFJ-OQPBUACISA-N -1 3 312.797 2.843 20 0 DFADHM CCc1cc(C(=O)N2CCC(c3noc(C)n3)CC2)ccc1[O-] ZINC000365978436 523753514 /nfs/dbraw/zinc/75/35/14/523753514.db2.gz AVUIQOTUCBNAKJ-UHFFFAOYSA-N -1 3 315.373 2.666 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2C)c([O-])c1 ZINC000364916201 523884516 /nfs/dbraw/zinc/88/45/16/523884516.db2.gz NOWHONJEDLHYCZ-MRXNPFEDSA-N -1 3 313.401 2.974 20 0 DFADHM C[C@H](CNC(=O)c1ccc2n[n-]nc2c1)Cc1cccs1 ZINC000152919058 524465638 /nfs/dbraw/zinc/46/56/38/524465638.db2.gz RVYWAOKJOHCRPD-JTQLQIEISA-N -1 3 300.387 2.628 20 0 DFADHM Cc1cc(C)nc(C2CCN(C(=O)c3cccc([O-])c3)CC2)n1 ZINC000366411987 524577788 /nfs/dbraw/zinc/57/77/88/524577788.db2.gz GJFQAUIMLCCLCJ-UHFFFAOYSA-N -1 3 311.385 2.819 20 0 DFADHM CC(=O)c1cc(C(=O)NCc2ccc([O-])c(F)c2)c(C)nc1C ZINC000362755160 534809985 /nfs/dbraw/zinc/80/99/85/534809985.db2.gz FMCZYADTHUFQMK-UHFFFAOYSA-N -1 3 316.332 2.676 20 0 DFADHM Cc1ccc(NC2CCN(C(=O)c3csc(=O)[n-]3)CC2)cc1 ZINC000366315924 525268558 /nfs/dbraw/zinc/26/85/58/525268558.db2.gz MNNGEKYVYNLOQN-UHFFFAOYSA-N -1 3 317.414 2.874 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC=C(c3cncc(F)c3)CC2)n1 ZINC000364180920 525348034 /nfs/dbraw/zinc/34/80/34/525348034.db2.gz NUSQOWORZRWAIF-LBPRGKRZSA-N -1 3 314.364 2.875 20 0 DFADHM C[C@@]1(c2cccs2)C[C@@H]1CNC(=O)/C=C/c1cncc([O-])c1 ZINC000364995794 525905095 /nfs/dbraw/zinc/90/50/95/525905095.db2.gz PURXNBWHWBUUPH-SSDWJNDTSA-N -1 3 314.410 2.956 20 0 DFADHM CC(=O)N1CCC[C@@H](c2noc(-c3ccc(C)c(C)c3[O-])n2)C1 ZINC000331703365 526571308 /nfs/dbraw/zinc/57/13/08/526571308.db2.gz XGJNJWVDJJLEDC-CYBMUJFWSA-N -1 3 315.373 2.785 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC[C@]1(CO)Cc1ccccc1 ZINC000365149160 526770464 /nfs/dbraw/zinc/77/04/64/526770464.db2.gz FSVNNFSUAPMATE-LJQANCHMSA-N -1 3 311.381 2.602 20 0 DFADHM COc1cc(C(=O)N[C@@H](C)Cc2ccccc2F)ccc1[O-] ZINC000357623000 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CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(C)=O)c([O-])c2)C1(C)C ZINC000332481208 527901156 /nfs/dbraw/zinc/90/11/56/527901156.db2.gz UYKOMSOZGRCFOJ-JKSUJKDBSA-N -1 3 319.401 2.870 20 0 DFADHM CCC[C@H](C)CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000299477700 528031299 /nfs/dbraw/zinc/03/12/99/528031299.db2.gz DWTNRNJQMRGXMJ-GTNSWQLSSA-N -1 3 317.389 2.506 20 0 DFADHM CCCCCc1nnc(NC([O-])=NOCCSC)s1 ZINC000280568478 528285602 /nfs/dbraw/zinc/28/56/02/528285602.db2.gz QXTXEAKFJBHSBA-UHFFFAOYSA-N -1 3 304.441 2.687 20 0 DFADHM CCCCCc1nnc(NC(=O)[N-]OCCSC)s1 ZINC000280568478 528285609 /nfs/dbraw/zinc/28/56/09/528285609.db2.gz QXTXEAKFJBHSBA-UHFFFAOYSA-N -1 3 304.441 2.687 20 0 DFADHM CCOc1ccc(-c2noc(CCC(=O)[N-]OC(C)C)n2)cc1 ZINC000295698077 528357268 /nfs/dbraw/zinc/35/72/68/528357268.db2.gz NYENVPNQAVERNT-UHFFFAOYSA-N -1 3 319.361 2.524 20 0 DFADHM CCOc1ccc(C(C)=O)cc1CN1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000324526955 528409484 /nfs/dbraw/zinc/40/94/84/528409484.db2.gz RYTCUDRVUIBJCP-YVEFUNNKSA-N -1 3 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O=S(=O)([N-][C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccccn1 ZINC000684598737 546250402 /nfs/dbraw/zinc/25/04/02/546250402.db2.gz FTICIYLRKCERBN-ZFWWWQNUSA-N -1 3 320.389 2.835 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnc[nH]3)c2)c([O-])c1 ZINC000684843055 546289994 /nfs/dbraw/zinc/28/99/94/546289994.db2.gz FAEXGJQIDSVKFD-UHFFFAOYSA-N -1 3 312.304 2.877 20 0 DFADHM CCOc1nc2cc(C(=O)NCc3csc(C)n3)ccc2[n-]1 ZINC000684878291 546296768 /nfs/dbraw/zinc/29/67/68/546296768.db2.gz OOASDIZWHMQZAL-UHFFFAOYSA-N -1 3 316.386 2.657 20 0 DFADHM CCOc1nc2ccc(C(=O)NCc3csc(C)n3)cc2[n-]1 ZINC000684878291 546296770 /nfs/dbraw/zinc/29/67/70/546296770.db2.gz OOASDIZWHMQZAL-UHFFFAOYSA-N -1 3 316.386 2.657 20 0 DFADHM [O-]c1cc(CN2CC(F)(F)C[C@H]2CO)cc(C(F)(F)F)c1 ZINC000685845563 546398516 /nfs/dbraw/zinc/39/85/16/546398516.db2.gz SIQIGSICXKZQEG-JTQLQIEISA-N -1 3 311.250 2.613 20 0 DFADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736259722 598906607 /nfs/dbraw/zinc/90/66/07/598906607.db2.gz 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/nfs/dbraw/zinc/92/42/79/598924279.db2.gz QIFXYFBJYWQNNC-UHFFFAOYSA-N -1 3 324.340 2.711 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1c(C)cccc1C ZINC000737025430 598924281 /nfs/dbraw/zinc/92/42/81/598924281.db2.gz QIFXYFBJYWQNNC-UHFFFAOYSA-N -1 3 324.340 2.711 20 0 DFADHM COc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737105464 598934745 /nfs/dbraw/zinc/93/47/45/598934745.db2.gz HGUWISHFFRLUBP-UHFFFAOYSA-N -1 3 302.725 2.667 20 0 DFADHM COc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737105464 598934747 /nfs/dbraw/zinc/93/47/47/598934747.db2.gz HGUWISHFFRLUBP-UHFFFAOYSA-N -1 3 302.725 2.667 20 0 DFADHM C[C@H]1Cc2ccccc2N1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736295914 598935645 /nfs/dbraw/zinc/93/56/45/598935645.db2.gz BQYBLMVFYQSCAS-VIFPVBQESA-N -1 3 312.764 2.998 20 0 DFADHM C[C@H]1Cc2ccccc2N1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736295914 598935649 /nfs/dbraw/zinc/93/56/49/598935649.db2.gz BQYBLMVFYQSCAS-VIFPVBQESA-N -1 3 312.764 2.998 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1NC[C@@H]1Cc2ccccc21 ZINC000737557085 598938685 /nfs/dbraw/zinc/93/86/85/598938685.db2.gz BMLWSTBXSBBELV-JTQLQIEISA-N -1 3 312.764 2.667 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@@H]1Cc2ccccc21 ZINC000737557085 598938686 /nfs/dbraw/zinc/93/86/86/598938686.db2.gz BMLWSTBXSBBELV-JTQLQIEISA-N -1 3 312.764 2.667 20 0 DFADHM C[C@H]1CCC[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736253075 599016553 /nfs/dbraw/zinc/01/65/53/599016553.db2.gz SQSVFJQOWUPDMX-QWHCGFSZSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@H]1CCC[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736253075 599016556 /nfs/dbraw/zinc/01/65/56/599016556.db2.gz SQSVFJQOWUPDMX-QWHCGFSZSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1cccs1 ZINC000736166047 599026632 /nfs/dbraw/zinc/02/66/32/599026632.db2.gz XZXAMSPZCMTGRK-SSDOTTSWSA-N -1 3 306.372 2.908 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@H]2CCC[C@H]21 ZINC000822563960 599053698 /nfs/dbraw/zinc/05/36/98/599053698.db2.gz SCRQMVWNADLRLH-BXKDBHETSA-N -1 3 304.785 2.684 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@H]2CCC[C@H]21 ZINC000822563960 599053700 /nfs/dbraw/zinc/05/37/00/599053700.db2.gz SCRQMVWNADLRLH-BXKDBHETSA-N -1 3 304.785 2.684 20 0 DFADHM Cc1nnc(NCC[C@H]2CCC[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737521438 599064655 /nfs/dbraw/zinc/06/46/55/599064655.db2.gz PJRHIFPQTMQZES-GXFFZTMASA-N -1 3 315.425 2.902 20 0 DFADHM Cc1nnc(NCC[C@H]2CCC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737521438 599064657 /nfs/dbraw/zinc/06/46/57/599064657.db2.gz PJRHIFPQTMQZES-GXFFZTMASA-N -1 3 315.425 2.902 20 0 DFADHM Clc1ccc([C@@H]2CCN2c2ncccc2-c2nnn[n-]2)cc1 ZINC000822574148 599063578 /nfs/dbraw/zinc/06/35/78/599063578.db2.gz PFQPKDYKWFIFKC-ZDUSSCGKSA-N -1 3 312.764 2.867 20 0 DFADHM Clc1ccc([C@@H]2CCN2c2ncccc2-c2nn[n-]n2)cc1 ZINC000822574148 599063581 /nfs/dbraw/zinc/06/35/81/599063581.db2.gz PFQPKDYKWFIFKC-ZDUSSCGKSA-N -1 3 312.764 2.867 20 0 DFADHM CS[C@H]1CC[C@H](Nc2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000821951528 599073678 /nfs/dbraw/zinc/07/36/78/599073678.db2.gz ZVVGWDBHBXZELL-QWRGUYRKSA-N -1 3 304.423 2.575 20 0 DFADHM CS[C@H]1CC[C@H](Nc2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000821951528 599073680 /nfs/dbraw/zinc/07/36/80/599073680.db2.gz ZVVGWDBHBXZELL-QWRGUYRKSA-N -1 3 304.423 2.575 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H](C)S1 ZINC000820767634 599074850 /nfs/dbraw/zinc/07/48/50/599074850.db2.gz JCOXCOOCNHBYRW-IUCAKERBSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H](C)S1 ZINC000820767634 599074853 /nfs/dbraw/zinc/07/48/53/599074853.db2.gz JCOXCOOCNHBYRW-IUCAKERBSA-N -1 3 309.826 2.850 20 0 DFADHM CCc1cnc(CNc2cccc(F)c2-c2nnn[n-]2)s1 ZINC000821499886 599083388 /nfs/dbraw/zinc/08/33/88/599083388.db2.gz UHFXFCMJEPNNLF-UHFFFAOYSA-N -1 3 304.354 2.637 20 0 DFADHM CCc1cnc(CNc2cccc(F)c2-c2nn[n-]n2)s1 ZINC000821499886 599083391 /nfs/dbraw/zinc/08/33/91/599083391.db2.gz UHFXFCMJEPNNLF-UHFFFAOYSA-N -1 3 304.354 2.637 20 0 DFADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738021140 599096207 /nfs/dbraw/zinc/09/62/07/599096207.db2.gz PIWZYFMGASKKRG-CABCVRRESA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738021140 599096209 /nfs/dbraw/zinc/09/62/09/599096209.db2.gz PIWZYFMGASKKRG-CABCVRRESA-N -1 3 311.389 2.565 20 0 DFADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1c[nH]c(-c2ccccc2)n1 ZINC000819709609 599109247 /nfs/dbraw/zinc/10/92/47/599109247.db2.gz LXNZCRUHMLDQQB-HJWRWDBZSA-N -1 3 315.340 2.822 20 0 DFADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1c[nH]c(-c2ccccc2)n1 ZINC000819709609 599109250 /nfs/dbraw/zinc/10/92/50/599109250.db2.gz LXNZCRUHMLDQQB-HJWRWDBZSA-N -1 3 315.340 2.822 20 0 DFADHM CSCCCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000821970155 599123159 /nfs/dbraw/zinc/12/31/59/599123159.db2.gz JFJOUKNDRXYDOR-UHFFFAOYSA-N -1 3 321.475 2.986 20 0 DFADHM CSCCCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000821970155 599123161 /nfs/dbraw/zinc/12/31/61/599123161.db2.gz JFJOUKNDRXYDOR-UHFFFAOYSA-N -1 3 321.475 2.986 20 0 DFADHM CCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736603174 599130481 /nfs/dbraw/zinc/13/04/81/599130481.db2.gz VAIDXKMUQHOZCL-UHFFFAOYSA-N -1 3 324.340 2.622 20 0 DFADHM CCOC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736603174 599130484 /nfs/dbraw/zinc/13/04/84/599130484.db2.gz VAIDXKMUQHOZCL-UHFFFAOYSA-N -1 3 324.340 2.622 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C/C1CC1 ZINC000821100059 599139568 /nfs/dbraw/zinc/13/95/68/599139568.db2.gz SPKJSSMXUMMQQC-JXMROGBWSA-N -1 3 311.389 2.572 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C/C1CC1 ZINC000821100059 599139570 /nfs/dbraw/zinc/13/95/70/599139570.db2.gz SPKJSSMXUMMQQC-JXMROGBWSA-N -1 3 311.389 2.572 20 0 DFADHM O=C(COc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCC1 ZINC000737919460 599162602 /nfs/dbraw/zinc/16/26/02/599162602.db2.gz SSRQGKSIRFGKEL-UHFFFAOYSA-N -1 3 306.753 2.658 20 0 DFADHM O=C(COc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCC1 ZINC000737919460 599162604 /nfs/dbraw/zinc/16/26/04/599162604.db2.gz SSRQGKSIRFGKEL-UHFFFAOYSA-N -1 3 306.753 2.658 20 0 DFADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735561499 599176970 /nfs/dbraw/zinc/17/69/70/599176970.db2.gz KQSQHTLBNZOQHG-JTQLQIEISA-N -1 3 311.320 2.748 20 0 DFADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735561499 599176972 /nfs/dbraw/zinc/17/69/72/599176972.db2.gz KQSQHTLBNZOQHG-JTQLQIEISA-N -1 3 311.320 2.748 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1sccc1-c1nnn[n-]1 ZINC000738023581 599227759 /nfs/dbraw/zinc/22/77/59/599227759.db2.gz GQIJZAWXLKNPIF-GARJFASQSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1sccc1-c1nn[n-]n1 ZINC000738023581 599227763 /nfs/dbraw/zinc/22/77/63/599227763.db2.gz GQIJZAWXLKNPIF-GARJFASQSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738027325 599227938 /nfs/dbraw/zinc/22/79/38/599227938.db2.gz ZWLQCRNLLYVCAQ-NILFDRSVSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738027325 599227941 /nfs/dbraw/zinc/22/79/41/599227941.db2.gz ZWLQCRNLLYVCAQ-NILFDRSVSA-N -1 3 311.389 2.565 20 0 DFADHM O=C([O-])C[C@@H]1CCCN(Cn2ccc(-c3ccsc3)n2)C1 ZINC000819385401 597046330 /nfs/dbraw/zinc/04/63/30/597046330.db2.gz NZSKKYVJHBVHEE-LBPRGKRZSA-N -1 3 305.403 2.756 20 0 DFADHM CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735748077 599239305 /nfs/dbraw/zinc/23/93/05/599239305.db2.gz HEBPSKCEGDNSSK-AWEZNQCLSA-N -1 3 314.393 2.909 20 0 DFADHM CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735748077 599239308 /nfs/dbraw/zinc/23/93/08/599239308.db2.gz HEBPSKCEGDNSSK-AWEZNQCLSA-N -1 3 314.393 2.909 20 0 DFADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000820919267 599240533 /nfs/dbraw/zinc/24/05/33/599240533.db2.gz AONSWBODOHZWFN-CQSZACIVSA-N -1 3 323.360 2.535 20 0 DFADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000820919267 599240534 /nfs/dbraw/zinc/24/05/34/599240534.db2.gz AONSWBODOHZWFN-CQSZACIVSA-N -1 3 323.360 2.535 20 0 DFADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCCC(=O)[O-] ZINC000819018717 597135235 /nfs/dbraw/zinc/13/52/35/597135235.db2.gz ASUQVUZNTPYHNO-UHFFFAOYSA-N -1 3 311.744 2.538 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822240215 607269512 /nfs/dbraw/zinc/26/95/12/607269512.db2.gz XRMTZBCSWIWBFV-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822240215 607269513 /nfs/dbraw/zinc/26/95/13/607269513.db2.gz XRMTZBCSWIWBFV-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CCc1ccccc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000821492738 607276004 /nfs/dbraw/zinc/27/60/04/607276004.db2.gz VLFQARGTHQTEIB-UHFFFAOYSA-N -1 3 307.357 2.706 20 0 DFADHM CCc1ccccc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000821492738 607276005 /nfs/dbraw/zinc/27/60/05/607276005.db2.gz VLFQARGTHQTEIB-UHFFFAOYSA-N -1 3 307.357 2.706 20 0 DFADHM Cc1c([C@@H](C)NCCCC(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000818772765 597247759 /nfs/dbraw/zinc/24/77/59/597247759.db2.gz RPCZFEGSNMFZPN-SNVBAGLBSA-N -1 3 322.796 2.745 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@@H]2C(C)C)cccc1-c1nnn[n-]1 ZINC000822084945 607281582 /nfs/dbraw/zinc/28/15/82/607281582.db2.gz TUBAQIDHDLXBBD-CQSZACIVSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@@H]2C(C)C)cccc1-c1nn[n-]n1 ZINC000822084945 607281583 /nfs/dbraw/zinc/28/15/83/607281583.db2.gz TUBAQIDHDLXBBD-CQSZACIVSA-N -1 3 314.393 2.827 20 0 DFADHM Fc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000737648378 599253590 /nfs/dbraw/zinc/25/35/90/599253590.db2.gz JQITYDNMPBIEFN-UHFFFAOYSA-N -1 3 320.331 2.588 20 0 DFADHM Fc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000737648378 599253591 /nfs/dbraw/zinc/25/35/91/599253591.db2.gz JQITYDNMPBIEFN-UHFFFAOYSA-N -1 3 320.331 2.588 20 0 DFADHM Cc1c(NC(=O)N[C@@H]2CCC[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822091435 607283318 /nfs/dbraw/zinc/28/33/18/607283318.db2.gz RDRZINNCVILCFC-CMPLNLGQSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@@H]2CCC[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822091435 607283319 /nfs/dbraw/zinc/28/33/19/607283319.db2.gz RDRZINNCVILCFC-CMPLNLGQSA-N -1 3 314.393 2.875 20 0 DFADHM Fc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000737670066 599256121 /nfs/dbraw/zinc/25/61/21/599256121.db2.gz SJMYBVKMOVTOEL-UHFFFAOYSA-N -1 3 320.331 2.588 20 0 DFADHM Fc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000737670066 599256123 /nfs/dbraw/zinc/25/61/23/599256123.db2.gz SJMYBVKMOVTOEL-UHFFFAOYSA-N -1 3 320.331 2.588 20 0 DFADHM CCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)C1CCC1 ZINC000821154603 607286171 /nfs/dbraw/zinc/28/61/71/607286171.db2.gz PSXBYOPUSWSLFX-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM CCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)C1CCC1 ZINC000821154603 607286172 /nfs/dbraw/zinc/28/61/72/607286172.db2.gz PSXBYOPUSWSLFX-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM Cc1c(NC(=O)NC(C(C)C)C(C)C)cccc1-c1nnn[n-]1 ZINC000822090670 607290890 /nfs/dbraw/zinc/29/08/90/607290890.db2.gz LSOYBNXMZUWXDH-UHFFFAOYSA-N -1 3 316.409 2.977 20 0 DFADHM Cc1c(NC(=O)NC(C(C)C)C(C)C)cccc1-c1nn[n-]n1 ZINC000822090670 607290891 /nfs/dbraw/zinc/29/08/91/607290891.db2.gz LSOYBNXMZUWXDH-UHFFFAOYSA-N -1 3 316.409 2.977 20 0 DFADHM Cc1cc(F)cc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822203071 607307428 /nfs/dbraw/zinc/30/74/28/607307428.db2.gz CSTAHCHUBISIEO-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1cc(F)cc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822203071 607307429 /nfs/dbraw/zinc/30/74/29/607307429.db2.gz CSTAHCHUBISIEO-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM C/C=C(/C)C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000820827397 607309534 /nfs/dbraw/zinc/30/95/34/607309534.db2.gz SPNQPHMGSCOFIM-BASWHVEKSA-N -1 3 323.356 2.959 20 0 DFADHM C/C=C(/C)C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000820827397 607309535 /nfs/dbraw/zinc/30/95/35/607309535.db2.gz SPNQPHMGSCOFIM-BASWHVEKSA-N -1 3 323.356 2.959 20 0 DFADHM COc1ccc(OC)c(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821842247 607310802 /nfs/dbraw/zinc/31/08/02/607310802.db2.gz QUUKOBXPZPVZHG-UHFFFAOYSA-N -1 3 317.374 2.558 20 0 DFADHM CCCN(Cc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000821109833 607305502 /nfs/dbraw/zinc/30/55/02/607305502.db2.gz QOVYGSMBKJZRDA-UHFFFAOYSA-N -1 3 308.389 2.987 20 0 DFADHM CCCN(Cc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000821109833 607305503 /nfs/dbraw/zinc/30/55/03/607305503.db2.gz QOVYGSMBKJZRDA-UHFFFAOYSA-N -1 3 308.389 2.987 20 0 DFADHM CC(C)C(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000820020679 607319976 /nfs/dbraw/zinc/31/99/76/607319976.db2.gz JVPPHVMNVIWBBH-KTKRTIGZSA-N -1 3 313.405 2.677 20 0 DFADHM CC(C)C(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000820020679 607319977 /nfs/dbraw/zinc/31/99/77/607319977.db2.gz JVPPHVMNVIWBBH-KTKRTIGZSA-N -1 3 313.405 2.677 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCc1nc(C)c(C)s1 ZINC000737033203 599284499 /nfs/dbraw/zinc/28/44/99/599284499.db2.gz UZOKAXQWPYYQJI-UHFFFAOYSA-N -1 3 317.374 2.528 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCc1nc(C)c(C)s1 ZINC000737033203 599284500 /nfs/dbraw/zinc/28/45/00/599284500.db2.gz UZOKAXQWPYYQJI-UHFFFAOYSA-N -1 3 317.374 2.528 20 0 DFADHM Cc1nnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737534727 599288678 /nfs/dbraw/zinc/28/86/78/599288678.db2.gz VUODCVCYOOZZLC-ZETCQYMHSA-N -1 3 304.404 2.880 20 0 DFADHM Cc1nnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737534727 599288680 /nfs/dbraw/zinc/28/86/80/599288680.db2.gz VUODCVCYOOZZLC-ZETCQYMHSA-N -1 3 304.404 2.880 20 0 DFADHM COC(=O)C[C@@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736912552 599290465 /nfs/dbraw/zinc/29/04/65/599290465.db2.gz OXZCZOPFOQDDTF-NXEZZACHSA-N -1 3 306.391 2.613 20 0 DFADHM COC(=O)C[C@@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736912552 599290467 /nfs/dbraw/zinc/29/04/67/599290467.db2.gz OXZCZOPFOQDDTF-NXEZZACHSA-N -1 3 306.391 2.613 20 0 DFADHM Cc1cn(Cc2ncc(-c3cccc(F)c3)o2)cc1-c1nnn[n-]1 ZINC000822388824 607331093 /nfs/dbraw/zinc/33/10/93/607331093.db2.gz CHYGWEWJPQNAPO-UHFFFAOYSA-N -1 3 324.319 2.819 20 0 DFADHM Cc1cn(Cc2ncc(-c3cccc(F)c3)o2)cc1-c1nn[n-]n1 ZINC000822388824 607331094 /nfs/dbraw/zinc/33/10/94/607331094.db2.gz CHYGWEWJPQNAPO-UHFFFAOYSA-N -1 3 324.319 2.819 20 0 DFADHM CCOc1cccc(CCNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821427186 607331964 /nfs/dbraw/zinc/33/19/64/607331964.db2.gz NPVWIVIXRQKHPJ-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM Cn1cc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000826362499 607844742 /nfs/dbraw/zinc/84/47/42/607844742.db2.gz VKSNHJHVDLKLBL-UHFFFAOYSA-N -1 3 306.782 2.546 20 0 DFADHM CCc1nn(C)c(CC)c1CNCc1cccc(C(=O)[O-])c1 ZINC000263445582 598194337 /nfs/dbraw/zinc/19/43/37/598194337.db2.gz XSZBVRMTZGVMKU-UHFFFAOYSA-N -1 3 301.390 2.533 20 0 DFADHM CN(C)Cc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1F ZINC000820543365 598203616 /nfs/dbraw/zinc/20/36/16/598203616.db2.gz BMAGOSRLTJQBIC-UHFFFAOYSA-N -1 3 316.376 2.875 20 0 DFADHM COc1cccc([C@H](CNc2cc(C(=O)[O-])ccn2)N(C)C)c1 ZINC000320705359 598218466 /nfs/dbraw/zinc/21/84/66/598218466.db2.gz SNENLNQJWDUVTA-HNNXBMFYSA-N -1 3 315.373 2.503 20 0 DFADHM CN(CCC1CCCCC1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736791805 598233314 /nfs/dbraw/zinc/23/33/14/598233314.db2.gz HTWGOOHYSCWSGU-UHFFFAOYSA-N -1 3 313.405 2.909 20 0 DFADHM CN(CCC1CCCCC1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736791805 598233316 /nfs/dbraw/zinc/23/33/16/598233316.db2.gz HTWGOOHYSCWSGU-UHFFFAOYSA-N -1 3 313.405 2.909 20 0 DFADHM CN(CCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736800808 598234645 /nfs/dbraw/zinc/23/46/45/598234645.db2.gz BDTDTILDMXWYDK-UHFFFAOYSA-N -1 3 313.336 2.521 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NC[C@H]1CC1(Cl)Cl ZINC000737641760 598236454 /nfs/dbraw/zinc/23/64/54/598236454.db2.gz YAEYKRWMOQVWOO-SSDOTTSWSA-N -1 3 302.140 2.612 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2cc(F)ccc2F)n1 ZINC000737242380 598243812 /nfs/dbraw/zinc/24/38/12/598243812.db2.gz WNLJHNQIWBJUGJ-UHFFFAOYSA-N -1 3 316.315 2.769 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2cc(F)ccc2F)n1 ZINC000737242380 598243813 /nfs/dbraw/zinc/24/38/13/598243813.db2.gz WNLJHNQIWBJUGJ-UHFFFAOYSA-N -1 3 316.315 2.769 20 0 DFADHM C[C@@H]1OCC[C@H]1SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825021895 607845246 /nfs/dbraw/zinc/84/52/46/607845246.db2.gz VBQIMNHVSMBLKW-SMDDNHRTSA-N -1 3 320.418 2.546 20 0 DFADHM C[C@@H]1OCC[C@H]1SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825021895 607845247 /nfs/dbraw/zinc/84/52/47/607845247.db2.gz VBQIMNHVSMBLKW-SMDDNHRTSA-N -1 3 320.418 2.546 20 0 DFADHM CCC(CC)CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736343023 598266834 /nfs/dbraw/zinc/26/68/34/598266834.db2.gz WFFRSZWQMNPIBJ-UHFFFAOYSA-N -1 3 306.345 2.564 20 0 DFADHM CCC(CC)CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736343023 598266837 /nfs/dbraw/zinc/26/68/37/598266837.db2.gz WFFRSZWQMNPIBJ-UHFFFAOYSA-N -1 3 306.345 2.564 20 0 DFADHM CCCCN(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736454004 598274943 /nfs/dbraw/zinc/27/49/43/598274943.db2.gz WIOQIRPBHAFOHV-UHFFFAOYSA-N -1 3 319.413 2.687 20 0 DFADHM CCCCN(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736454004 598274944 /nfs/dbraw/zinc/27/49/44/598274944.db2.gz WIOQIRPBHAFOHV-UHFFFAOYSA-N -1 3 319.413 2.687 20 0 DFADHM CCC[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736424277 598276527 /nfs/dbraw/zinc/27/65/27/598276527.db2.gz PUXIYNKXCAGHAS-SNVBAGLBSA-N -1 3 319.413 2.733 20 0 DFADHM CCC[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736424277 598276529 /nfs/dbraw/zinc/27/65/29/598276529.db2.gz PUXIYNKXCAGHAS-SNVBAGLBSA-N -1 3 319.413 2.733 20 0 DFADHM CCCCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736440738 598281416 /nfs/dbraw/zinc/28/14/16/598281416.db2.gz GEJMJGMIGPZKKK-UHFFFAOYSA-N -1 3 305.357 2.939 20 0 DFADHM CCCCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736440738 598281417 /nfs/dbraw/zinc/28/14/17/598281417.db2.gz GEJMJGMIGPZKKK-UHFFFAOYSA-N -1 3 305.357 2.939 20 0 DFADHM O=C(CCC1CCCC1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737825267 598306389 /nfs/dbraw/zinc/30/63/89/598306389.db2.gz XBCUIXMZMQHOGC-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM O=C(CCC1CCCC1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737825267 598306391 /nfs/dbraw/zinc/30/63/91/598306391.db2.gz XBCUIXMZMQHOGC-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM Cc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000737342817 598388354 /nfs/dbraw/zinc/38/83/54/598388354.db2.gz QSBZTPSAMABQBF-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Cc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000737342817 598388355 /nfs/dbraw/zinc/38/83/55/598388355.db2.gz QSBZTPSAMABQBF-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1NCCc1ccsc1 ZINC000737558074 598390085 /nfs/dbraw/zinc/39/00/85/598390085.db2.gz KCQZLBGHRVHLIF-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1NCCc1ccsc1 ZINC000737558074 598390087 /nfs/dbraw/zinc/39/00/87/598390087.db2.gz KCQZLBGHRVHLIF-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Cc1nc(Cl)cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737480389 598392507 /nfs/dbraw/zinc/39/25/07/598392507.db2.gz ONOOHVOPLDCKPB-MRVPVSSYSA-N -1 3 315.768 2.792 20 0 DFADHM Cc1nc(Cl)cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480389 598392509 /nfs/dbraw/zinc/39/25/09/598392509.db2.gz ONOOHVOPLDCKPB-MRVPVSSYSA-N -1 3 315.768 2.792 20 0 DFADHM Cn1ccc2c1cccc2NCc1ccccc1-c1nnn[n-]1 ZINC000737614074 598396291 /nfs/dbraw/zinc/39/62/91/598396291.db2.gz SCSABEWBLRHPDK-UHFFFAOYSA-N -1 3 304.357 2.971 20 0 DFADHM Cn1ccc2c1cccc2NCc1ccccc1-c1nn[n-]n1 ZINC000737614074 598396292 /nfs/dbraw/zinc/39/62/92/598396292.db2.gz SCSABEWBLRHPDK-UHFFFAOYSA-N -1 3 304.357 2.971 20 0 DFADHM C[C@@H]1c2ccccc2CCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736302295 598398317 /nfs/dbraw/zinc/39/83/17/598398317.db2.gz GGCRYNVBGSKSDA-GFCCVEGCSA-N -1 3 319.368 2.626 20 0 DFADHM C[C@@H]1c2ccccc2CCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736302295 598398318 /nfs/dbraw/zinc/39/83/18/598398318.db2.gz GGCRYNVBGSKSDA-GFCCVEGCSA-N -1 3 319.368 2.626 20 0 DFADHM C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736305502 598398529 /nfs/dbraw/zinc/39/85/29/598398529.db2.gz USCVSUIXVDAMML-GFCCVEGCSA-N -1 3 319.368 2.626 20 0 DFADHM C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736305502 598398531 /nfs/dbraw/zinc/39/85/31/598398531.db2.gz USCVSUIXVDAMML-GFCCVEGCSA-N -1 3 319.368 2.626 20 0 DFADHM CCS[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736668334 598441031 /nfs/dbraw/zinc/44/10/31/598441031.db2.gz ZRWYVUHPOGRTDQ-GFCCVEGCSA-N -1 3 306.391 2.550 20 0 DFADHM CCS[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736668334 598441032 /nfs/dbraw/zinc/44/10/32/598441032.db2.gz ZRWYVUHPOGRTDQ-GFCCVEGCSA-N -1 3 306.391 2.550 20 0 DFADHM CCN(C(=O)c1sccc1-c1nnn[n-]1)[C@H]1CCCC[C@@H]1C ZINC000736507105 598445685 /nfs/dbraw/zinc/44/56/85/598445685.db2.gz ADWOACLECKGYAC-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM CCN(C(=O)c1sccc1-c1nn[n-]n1)[C@H]1CCCC[C@@H]1C ZINC000736507105 598445686 /nfs/dbraw/zinc/44/56/86/598445686.db2.gz ADWOACLECKGYAC-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM C[C@@H](OC(=O)CCC(C)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000736147096 598484282 /nfs/dbraw/zinc/48/42/82/598484282.db2.gz AMFMMQBKQTXXTO-SECBINFHSA-N -1 3 310.304 2.906 20 0 DFADHM C[C@@H](OC(=O)CCC(C)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000736147096 598484284 /nfs/dbraw/zinc/48/42/84/598484284.db2.gz AMFMMQBKQTXXTO-SECBINFHSA-N -1 3 310.304 2.906 20 0 DFADHM Cc1ccc([S@](=O)Cc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737370264 598491199 /nfs/dbraw/zinc/49/11/99/598491199.db2.gz PLTPUGGORYYFAK-JOCHJYFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1ccc([S@](=O)Cc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737370264 598491201 /nfs/dbraw/zinc/49/12/01/598491201.db2.gz PLTPUGGORYYFAK-JOCHJYFZSA-N -1 3 312.398 2.791 20 0 DFADHM CC(C)(C)n1cnnc1SCc1cccc(-c2nnn[n-]2)c1 ZINC000735664268 598494047 /nfs/dbraw/zinc/49/40/47/598494047.db2.gz INYSKJIOXQIWDK-UHFFFAOYSA-N -1 3 315.406 2.506 20 0 DFADHM CC(C)(C)n1cnnc1SCc1cccc(-c2nn[n-]n2)c1 ZINC000735664268 598494048 /nfs/dbraw/zinc/49/40/48/598494048.db2.gz INYSKJIOXQIWDK-UHFFFAOYSA-N -1 3 315.406 2.506 20 0 DFADHM Cc1csc(=Nc2ccccc2-c2nnn[n-]2)n1[C@@H]1C[C@@H]1C ZINC000737456383 598496901 /nfs/dbraw/zinc/49/69/01/598496901.db2.gz FKGJZXSVMCLSRS-TVQRCGJNSA-N -1 3 312.402 2.851 20 0 DFADHM Cc1csc(=Nc2ccccc2-c2nn[n-]n2)n1[C@@H]1C[C@@H]1C ZINC000737456383 598496902 /nfs/dbraw/zinc/49/69/02/598496902.db2.gz FKGJZXSVMCLSRS-TVQRCGJNSA-N -1 3 312.402 2.851 20 0 DFADHM CC(C)(C)OCCSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735639628 598511635 /nfs/dbraw/zinc/51/16/35/598511635.db2.gz KNDDVRVOOHWFMQ-UHFFFAOYSA-N -1 3 322.434 2.794 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1COc1cccc(F)c1F ZINC000737652607 598514579 /nfs/dbraw/zinc/51/45/79/598514579.db2.gz VPAQEKRDAKACSN-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1COc1cccc(F)c1F ZINC000737652607 598514581 /nfs/dbraw/zinc/51/45/81/598514581.db2.gz VPAQEKRDAKACSN-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1F ZINC000737639792 598514777 /nfs/dbraw/zinc/51/47/77/598514777.db2.gz GARHDDFPCCONKD-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000737639792 598514778 /nfs/dbraw/zinc/51/47/78/598514778.db2.gz GARHDDFPCCONKD-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CCc1c(C)sc(NC(=O)c2ccoc2)c1-c1nnn[n-]1 ZINC000736675756 598517404 /nfs/dbraw/zinc/51/74/04/598517404.db2.gz LXJYDJVODDPGJA-UHFFFAOYSA-N -1 3 303.347 2.644 20 0 DFADHM CCc1c(C)sc(NC(=O)c2ccoc2)c1-c1nn[n-]n1 ZINC000736675756 598517406 /nfs/dbraw/zinc/51/74/06/598517406.db2.gz LXJYDJVODDPGJA-UHFFFAOYSA-N -1 3 303.347 2.644 20 0 DFADHM Cc1csc([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000737455845 598521435 /nfs/dbraw/zinc/52/14/35/598521435.db2.gz YMKSFKSLJTUANC-QMMMGPOBSA-N -1 3 304.354 2.944 20 0 DFADHM Cc1csc([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000737455845 598521436 /nfs/dbraw/zinc/52/14/36/598521436.db2.gz YMKSFKSLJTUANC-QMMMGPOBSA-N -1 3 304.354 2.944 20 0 DFADHM CC[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736400934 598534673 /nfs/dbraw/zinc/53/46/73/598534673.db2.gz FCULQTREQDYFFP-SMDDNHRTSA-N -1 3 314.393 2.512 20 0 DFADHM CC[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736400934 598534675 /nfs/dbraw/zinc/53/46/75/598534675.db2.gz FCULQTREQDYFFP-SMDDNHRTSA-N -1 3 314.393 2.512 20 0 DFADHM O=C(Nc1cc(F)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000738143891 598543882 /nfs/dbraw/zinc/54/38/82/598543882.db2.gz GBWZZRPHPQMGFF-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1cc(F)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000738143891 598543884 /nfs/dbraw/zinc/54/38/84/598543884.db2.gz GBWZZRPHPQMGFF-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM Fc1cc(OCc2ccnc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737651694 598546664 /nfs/dbraw/zinc/54/66/64/598546664.db2.gz NBKRGPRLQDIOML-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1cc(OCc2ccnc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737651694 598546665 /nfs/dbraw/zinc/54/66/65/598546665.db2.gz NBKRGPRLQDIOML-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Cc1ccc(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000737307780 598548140 /nfs/dbraw/zinc/54/81/40/598548140.db2.gz HITZTHWFODBYFX-UHFFFAOYSA-N -1 3 318.333 2.637 20 0 DFADHM Cc1ccc(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000737307780 598548142 /nfs/dbraw/zinc/54/81/42/598548142.db2.gz HITZTHWFODBYFX-UHFFFAOYSA-N -1 3 318.333 2.637 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc2c1CCC2 ZINC000738192709 598572507 /nfs/dbraw/zinc/57/25/07/598572507.db2.gz WPHFDCDZFUPVNH-UHFFFAOYSA-N -1 3 305.341 2.608 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc2c1CCC2 ZINC000738192709 598572509 /nfs/dbraw/zinc/57/25/09/598572509.db2.gz WPHFDCDZFUPVNH-UHFFFAOYSA-N -1 3 305.341 2.608 20 0 DFADHM COC[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736972996 598577176 /nfs/dbraw/zinc/57/71/76/598577176.db2.gz ZCMYGTHZSUNNOL-QMMMGPOBSA-N -1 3 315.299 2.580 20 0 DFADHM COC[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736972996 598577178 /nfs/dbraw/zinc/57/71/78/598577178.db2.gz ZCMYGTHZSUNNOL-QMMMGPOBSA-N -1 3 315.299 2.580 20 0 DFADHM CO[C@H](C)CCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736959723 598579443 /nfs/dbraw/zinc/57/94/43/598579443.db2.gz CRXPVFIWHSSKCB-MRVPVSSYSA-N -1 3 315.299 2.722 20 0 DFADHM CO[C@H](C)CCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736959723 598579444 /nfs/dbraw/zinc/57/94/44/598579444.db2.gz CRXPVFIWHSSKCB-MRVPVSSYSA-N -1 3 315.299 2.722 20 0 DFADHM Cc1nn(C)c(Cl)c1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737510911 598585000 /nfs/dbraw/zinc/58/50/00/598585000.db2.gz HAEFYHALBCYTBY-UHFFFAOYSA-N -1 3 320.809 2.854 20 0 DFADHM Cc1nn(C)c(Cl)c1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737510911 598585002 /nfs/dbraw/zinc/58/50/02/598585002.db2.gz HAEFYHALBCYTBY-UHFFFAOYSA-N -1 3 320.809 2.854 20 0 DFADHM O=C(C=C(C1CC1)C1CC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737793456 598585186 /nfs/dbraw/zinc/58/51/86/598585186.db2.gz WKJNJGCOLSXISK-UHFFFAOYSA-N -1 3 313.336 2.691 20 0 DFADHM O=C(C=C(C1CC1)C1CC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737793456 598585188 /nfs/dbraw/zinc/58/51/88/598585188.db2.gz WKJNJGCOLSXISK-UHFFFAOYSA-N -1 3 313.336 2.691 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000738167301 598592939 /nfs/dbraw/zinc/59/29/39/598592939.db2.gz QWDXXTXQUVZPAZ-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000738167301 598592940 /nfs/dbraw/zinc/59/29/40/598592940.db2.gz QWDXXTXQUVZPAZ-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736437082 598609344 /nfs/dbraw/zinc/60/93/44/598609344.db2.gz SKZYNSXHZWIOTK-SWLSCSKDSA-N -1 3 313.405 2.955 20 0 DFADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736437082 598609346 /nfs/dbraw/zinc/60/93/46/598609346.db2.gz SKZYNSXHZWIOTK-SWLSCSKDSA-N -1 3 313.405 2.955 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)/C=C/C(C)(C)C ZINC000736626413 598626753 /nfs/dbraw/zinc/62/67/53/598626753.db2.gz HMAHOHDDDZVGEF-CMDGGOBGSA-N -1 3 316.361 2.773 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)/C=C/C(C)(C)C ZINC000736626413 598626755 /nfs/dbraw/zinc/62/67/55/598626755.db2.gz HMAHOHDDDZVGEF-CMDGGOBGSA-N -1 3 316.361 2.773 20 0 DFADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CC(C)(C)O1 ZINC000736286294 598634366 /nfs/dbraw/zinc/63/43/66/598634366.db2.gz BKUWXTOLQYPLBB-SECBINFHSA-N -1 3 307.785 2.524 20 0 DFADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CC(C)(C)O1 ZINC000736286294 598634367 /nfs/dbraw/zinc/63/43/67/598634367.db2.gz BKUWXTOLQYPLBB-SECBINFHSA-N -1 3 307.785 2.524 20 0 DFADHM Cc1ncc(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000737490983 598634750 /nfs/dbraw/zinc/63/47/50/598634750.db2.gz DFNBMMJGHCPNDJ-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ncc(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000737490983 598634752 /nfs/dbraw/zinc/63/47/52/598634752.db2.gz DFNBMMJGHCPNDJ-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Fc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000737657023 598645098 /nfs/dbraw/zinc/64/50/98/598645098.db2.gz SJPOLDJFEMFKIV-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000737657023 598645099 /nfs/dbraw/zinc/64/50/99/598645099.db2.gz SJPOLDJFEMFKIV-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CC(C)c1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ncn1 ZINC000735923011 598648942 /nfs/dbraw/zinc/64/89/42/598648942.db2.gz RONQZBKSZDLVMN-LLVKDONJSA-N -1 3 309.377 2.953 20 0 DFADHM CC(C)c1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC000735923011 598648944 /nfs/dbraw/zinc/64/89/44/598648944.db2.gz RONQZBKSZDLVMN-LLVKDONJSA-N -1 3 309.377 2.953 20 0 DFADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736300261 598672170 /nfs/dbraw/zinc/67/21/70/598672170.db2.gz WRGKQVYOXVNOFB-BDJLRTHQSA-N -1 3 319.368 2.530 20 0 DFADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736300261 598672171 /nfs/dbraw/zinc/67/21/71/598672171.db2.gz WRGKQVYOXVNOFB-BDJLRTHQSA-N -1 3 319.368 2.530 20 0 DFADHM Cc1ccc(C(C)(C)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737318218 598673586 /nfs/dbraw/zinc/67/35/86/598673586.db2.gz UELIIVNDWJNWPH-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1ccc(C(C)(C)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737318218 598673587 /nfs/dbraw/zinc/67/35/87/598673587.db2.gz UELIIVNDWJNWPH-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM CCC(CC)[C@@H](O)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736338650 598679651 /nfs/dbraw/zinc/67/96/51/598679651.db2.gz ZPEXVULBCPTVSX-ZDUSSCGKSA-N -1 3 309.801 2.729 20 0 DFADHM CCC(CC)[C@@H](O)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736338650 598679653 /nfs/dbraw/zinc/67/96/53/598679653.db2.gz ZPEXVULBCPTVSX-ZDUSSCGKSA-N -1 3 309.801 2.729 20 0 DFADHM O=C(CC1CCCC1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737814569 598703626 /nfs/dbraw/zinc/70/36/26/598703626.db2.gz POODFNVQWIIQIV-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(CC1CCCC1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737814569 598703627 /nfs/dbraw/zinc/70/36/27/598703627.db2.gz POODFNVQWIIQIV-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CC(C)(C)/C=C/C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000735594556 598726754 /nfs/dbraw/zinc/72/67/54/598726754.db2.gz UEGCWVYLVSFLLM-VOTSOKGWSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)(C)/C=C/C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000735594556 598726755 /nfs/dbraw/zinc/72/67/55/598726755.db2.gz UEGCWVYLVSFLLM-VOTSOKGWSA-N -1 3 304.325 2.651 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736251481 598734547 /nfs/dbraw/zinc/73/45/47/598734547.db2.gz OQSTYLAVXVUHTN-QVDRPMGRSA-N -1 3 311.389 2.669 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736251481 598734549 /nfs/dbraw/zinc/73/45/49/598734549.db2.gz OQSTYLAVXVUHTN-QVDRPMGRSA-N -1 3 311.389 2.669 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736059345 598740931 /nfs/dbraw/zinc/74/09/31/598740931.db2.gz RMBFYMQPDWIMJL-LBPRGKRZSA-N -1 3 308.341 2.651 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736059345 598740933 /nfs/dbraw/zinc/74/09/33/598740933.db2.gz RMBFYMQPDWIMJL-LBPRGKRZSA-N -1 3 308.341 2.651 20 0 DFADHM C[C@H](O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736150700 598745575 /nfs/dbraw/zinc/74/55/75/598745575.db2.gz KLOBISBVYWWBBO-JTQLQIEISA-N -1 3 313.336 2.671 20 0 DFADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735752084 598749652 /nfs/dbraw/zinc/74/96/52/598749652.db2.gz XGMXRBOAMJJEGF-LSDHHAIUSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735752084 598749654 /nfs/dbraw/zinc/74/96/54/598749654.db2.gz XGMXRBOAMJJEGF-LSDHHAIUSA-N -1 3 313.405 2.811 20 0 DFADHM CCCCN(C)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736452268 598768944 /nfs/dbraw/zinc/76/89/44/598768944.db2.gz DGHVMELXGDNSKQ-UHFFFAOYSA-N -1 3 318.331 2.929 20 0 DFADHM CCCCN(C)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736452268 598768946 /nfs/dbraw/zinc/76/89/46/598768946.db2.gz DGHVMELXGDNSKQ-UHFFFAOYSA-N -1 3 318.331 2.929 20 0 DFADHM Fc1ccc(F)c(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737661644 598789547 /nfs/dbraw/zinc/78/95/47/598789547.db2.gz ZUENQOARRMRLBF-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(F)c(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737661644 598789548 /nfs/dbraw/zinc/78/95/48/598789548.db2.gz ZUENQOARRMRLBF-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Clc1ccc(NCCc2ccccn2)c(-c2nnn[n-]2)c1 ZINC000737576193 598792400 /nfs/dbraw/zinc/79/24/00/598792400.db2.gz YFRXQWXOGZHTIG-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1ccc(NCCc2ccccn2)c(-c2nn[n-]n2)c1 ZINC000737576193 598792401 /nfs/dbraw/zinc/79/24/01/598792401.db2.gz YFRXQWXOGZHTIG-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM CC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1OC ZINC000736367994 598814314 /nfs/dbraw/zinc/81/43/14/598814314.db2.gz FNGIWYHSGBUPQW-CYBMUJFWSA-N -1 3 310.361 2.834 20 0 DFADHM CC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1OC ZINC000736367994 598814316 /nfs/dbraw/zinc/81/43/16/598814316.db2.gz FNGIWYHSGBUPQW-CYBMUJFWSA-N -1 3 310.361 2.834 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1cc(C)on1 ZINC000821751882 607367870 /nfs/dbraw/zinc/36/78/70/607367870.db2.gz DCEKWYUKBTULMJ-UHFFFAOYSA-N -1 3 317.374 2.605 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1cc(C)on1 ZINC000821751882 607367871 /nfs/dbraw/zinc/36/78/71/607367871.db2.gz DCEKWYUKBTULMJ-UHFFFAOYSA-N -1 3 317.374 2.605 20 0 DFADHM CCN(C(=O)c1ccccc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508391 599314111 /nfs/dbraw/zinc/31/41/11/599314111.db2.gz LALWCZLFBFDACT-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCN(C(=O)c1ccccc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508391 599314113 /nfs/dbraw/zinc/31/41/13/599314113.db2.gz LALWCZLFBFDACT-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000821016564 599344394 /nfs/dbraw/zinc/34/43/94/599344394.db2.gz XOGSDIYZOCPGKC-MNOVXSKESA-N -1 3 319.434 2.652 20 0 DFADHM CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000821016564 599344396 /nfs/dbraw/zinc/34/43/96/599344396.db2.gz XOGSDIYZOCPGKC-MNOVXSKESA-N -1 3 319.434 2.652 20 0 DFADHM CC[C@@H](C[C@@H](C)CO)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820882635 599360369 /nfs/dbraw/zinc/36/03/69/599360369.db2.gz WDVWVCRWTXCOOG-ZJUUUORDSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@@H](C[C@@H](C)CO)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820882635 599360373 /nfs/dbraw/zinc/36/03/73/599360373.db2.gz WDVWVCRWTXCOOG-ZJUUUORDSA-N -1 3 309.801 2.729 20 0 DFADHM C[C@H](Nc1ccc(CCO)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820454980 599376393 /nfs/dbraw/zinc/37/63/93/599376393.db2.gz AIFHTWCVJPPXOE-LBPRGKRZSA-N -1 3 309.373 2.575 20 0 DFADHM C[C@H](Nc1ccc(CCO)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820454980 599376395 /nfs/dbraw/zinc/37/63/95/599376395.db2.gz AIFHTWCVJPPXOE-LBPRGKRZSA-N -1 3 309.373 2.575 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1OCCOc1cccc(F)c1 ZINC000822136290 599385021 /nfs/dbraw/zinc/38/50/21/599385021.db2.gz KITVEMKJJZKCOP-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccn1 ZINC000736140493 599394255 /nfs/dbraw/zinc/39/42/55/599394255.db2.gz WSIMYOTYEWSYOX-LLVKDONJSA-N -1 3 317.356 2.983 20 0 DFADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccn1 ZINC000736140493 599394259 /nfs/dbraw/zinc/39/42/59/599394259.db2.gz WSIMYOTYEWSYOX-LLVKDONJSA-N -1 3 317.356 2.983 20 0 DFADHM CC(C)CCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820072535 599405898 /nfs/dbraw/zinc/40/58/98/599405898.db2.gz IWNQHDCTZBYKNT-LBPRGKRZSA-N -1 3 316.409 2.663 20 0 DFADHM CC(C)CCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820072535 599405901 /nfs/dbraw/zinc/40/59/01/599405901.db2.gz IWNQHDCTZBYKNT-LBPRGKRZSA-N -1 3 316.409 2.663 20 0 DFADHM CC[C@H](C)[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820860793 599421958 /nfs/dbraw/zinc/42/19/58/599421958.db2.gz KQYXBODBTNRXKP-QJPTWQEYSA-N -1 3 316.409 2.662 20 0 DFADHM CC[C@H](C)[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820860793 599421960 /nfs/dbraw/zinc/42/19/60/599421960.db2.gz KQYXBODBTNRXKP-QJPTWQEYSA-N -1 3 316.409 2.662 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1cccc(F)c1F ZINC000821749411 607378590 /nfs/dbraw/zinc/37/85/90/607378590.db2.gz KPAYEJOXSMASHA-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1cccc(F)c1F ZINC000821749411 607378592 /nfs/dbraw/zinc/37/85/92/607378592.db2.gz KPAYEJOXSMASHA-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM CN(CCNc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821602700 599467525 /nfs/dbraw/zinc/46/75/25/599467525.db2.gz PBKPJJWGADCCSF-UHFFFAOYSA-N -1 3 312.352 2.554 20 0 DFADHM CN(CCNc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821602700 599467526 /nfs/dbraw/zinc/46/75/26/599467526.db2.gz PBKPJJWGADCCSF-UHFFFAOYSA-N -1 3 312.352 2.554 20 0 DFADHM CN(Cc1ccncc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821615623 599469308 /nfs/dbraw/zinc/46/93/08/599469308.db2.gz GDLJBHLDFWHWFW-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1ccncc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821615623 599469309 /nfs/dbraw/zinc/46/93/09/599469309.db2.gz GDLJBHLDFWHWFW-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CC[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820978698 599475030 /nfs/dbraw/zinc/47/50/30/599475030.db2.gz CFYITLGOFIBWRD-RISCZKNCSA-N -1 3 314.393 2.512 20 0 DFADHM CC[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820978698 599475033 /nfs/dbraw/zinc/47/50/33/599475033.db2.gz CFYITLGOFIBWRD-RISCZKNCSA-N -1 3 314.393 2.512 20 0 DFADHM CCc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000736690865 599486819 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O=C([O-])[C@H](NC[C@H]1OCCc2ccccc21)c1ccccc1F ZINC000833168316 600751098 /nfs/dbraw/zinc/75/10/98/600751098.db2.gz WNFSQJOCSBEEML-IAGOWNOFSA-N -1 3 315.344 2.855 20 0 DFADHM CN(CC(C)(C)C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830701843 600797461 /nfs/dbraw/zinc/79/74/61/600797461.db2.gz GNBSNGHCBHLNDB-NSHDSACASA-N -1 3 310.419 2.530 20 0 DFADHM CC(C)[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)[O-] ZINC000736390367 600803532 /nfs/dbraw/zinc/80/35/32/600803532.db2.gz OGNOYMHMTZJHBW-INIZCTEOSA-N -1 3 319.401 2.551 20 0 DFADHM CCN(Cc1occc1C(=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000829734840 600849949 /nfs/dbraw/zinc/84/99/49/600849949.db2.gz PJSMBSRWSNLBBI-OAHLLOKOSA-N -1 3 303.358 2.842 20 0 DFADHM CN(C)Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000830620023 600876140 /nfs/dbraw/zinc/87/61/40/600876140.db2.gz NNMVVGUZJQXIPU-UHFFFAOYSA-N -1 3 316.332 2.838 20 0 DFADHM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828214374 600957654 /nfs/dbraw/zinc/95/76/54/600957654.db2.gz 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ZINC000828804128 601633888 /nfs/dbraw/zinc/63/38/88/601633888.db2.gz GVPYPJGLBSWFAS-UHFFFAOYSA-N -1 3 303.362 2.860 20 0 DFADHM O=C([O-])c1ccc(CN2CCC(n3ccnc3)CC2)cc1F ZINC000833313447 601635514 /nfs/dbraw/zinc/63/55/14/601635514.db2.gz VBPUUDXGNAYIIL-UHFFFAOYSA-N -1 3 303.337 2.558 20 0 DFADHM CN(C)Cc1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000737953917 601730253 /nfs/dbraw/zinc/73/02/53/601730253.db2.gz RHBDWMJKWMEWMZ-UHFFFAOYSA-N -1 3 312.369 2.628 20 0 DFADHM O=C([O-])c1sccc1CN1CCCN(c2nccs2)CC1 ZINC000833348148 601809945 /nfs/dbraw/zinc/80/99/45/601809945.db2.gz BFRCFJSOXGJYMB-UHFFFAOYSA-N -1 3 323.443 2.615 20 0 DFADHM CN(Cc1ccc(C(=O)[O-])c(F)c1)[C@@H](CO)c1ccccc1 ZINC000830811208 601816680 /nfs/dbraw/zinc/81/66/80/601816680.db2.gz SUVUCNOLCKHWJT-INIZCTEOSA-N -1 3 303.333 2.689 20 0 DFADHM COCc1cccc(COc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826164505 607530903 /nfs/dbraw/zinc/53/09/03/607530903.db2.gz CWXKZLPCUIDONS-UHFFFAOYSA-N -1 3 310.357 2.901 20 0 DFADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263056849 601926332 /nfs/dbraw/zinc/92/63/32/601926332.db2.gz GCDCULBZDBKCBX-BZNIZROVSA-N -1 3 324.808 2.772 20 0 DFADHM O=C([O-])NC[C@@H]1CCN(CCc2c(F)cccc2Cl)C1 ZINC000740644610 601937344 /nfs/dbraw/zinc/93/73/44/601937344.db2.gz VFVSBTZUTFEGPX-JTQLQIEISA-N -1 3 300.761 2.611 20 0 DFADHM C[C@@]1(C(=O)[O-])CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000828029052 601938637 /nfs/dbraw/zinc/93/86/37/601938637.db2.gz OIHWBSYLCOZSOY-MRXNPFEDSA-N -1 3 322.311 2.916 20 0 DFADHM O=C([O-])NC[C@H]1CCN(Cc2ccc(Cl)c3cccnc23)C1 ZINC000740645810 601940147 /nfs/dbraw/zinc/94/01/47/601940147.db2.gz ZWCNWFDSLVFUEG-LLVKDONJSA-N -1 3 319.792 2.978 20 0 DFADHM CCCC(=O)NC[C@H]1CCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000829184500 601946893 /nfs/dbraw/zinc/94/68/93/601946893.db2.gz MHIRRFVBRVWWFG-GFCCVEGCSA-N -1 3 324.446 2.575 20 0 DFADHM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000832886316 601954222 /nfs/dbraw/zinc/95/42/22/601954222.db2.gz LHVBJQLXLGGQKJ-BZNIZROVSA-N -1 3 324.808 2.772 20 0 DFADHM Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000832886318 601954366 /nfs/dbraw/zinc/95/43/66/601954366.db2.gz LHVBJQLXLGGQKJ-ZBEGNZNMSA-N -1 3 324.808 2.772 20 0 DFADHM COc1ccc(CNCC2(NC(=O)[O-])CCCCC2)c(OC)c1 ZINC000739904371 602000252 /nfs/dbraw/zinc/00/02/52/602000252.db2.gz SVYSTNIQRALCFA-UHFFFAOYSA-N -1 3 322.405 2.764 20 0 DFADHM Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccsc1C(=O)[O-] ZINC000833016122 602345304 /nfs/dbraw/zinc/34/53/04/602345304.db2.gz UBTUWSTXHVSZTM-ZDUSSCGKSA-N -1 3 305.403 2.825 20 0 DFADHM CCC(CC)[C@@H](CCNc1ncccc1-c1nnn[n-]1)OC ZINC000825096473 607564579 /nfs/dbraw/zinc/56/45/79/607564579.db2.gz OAVSBKQWUBKUPE-CYBMUJFWSA-N -1 3 304.398 2.515 20 0 DFADHM CCC(CC)[C@@H](CCNc1ncccc1-c1nn[n-]n1)OC ZINC000825096473 607564580 /nfs/dbraw/zinc/56/45/80/607564580.db2.gz OAVSBKQWUBKUPE-CYBMUJFWSA-N -1 3 304.398 2.515 20 0 DFADHM CC[C@H](SC)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825159010 607588499 /nfs/dbraw/zinc/58/84/99/607588499.db2.gz HCAHGHIZMPZLCU-SKDRFNHKSA-N -1 3 306.391 2.613 20 0 DFADHM CC[C@H](SC)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159010 607588500 /nfs/dbraw/zinc/58/85/00/607588500.db2.gz HCAHGHIZMPZLCU-SKDRFNHKSA-N -1 3 306.391 2.613 20 0 DFADHM COc1ccc(COC(=O)/C=C/C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826205257 607606911 /nfs/dbraw/zinc/60/69/11/607606911.db2.gz QEGGIVBIXADUED-BQYQJAHWSA-N -1 3 316.361 2.521 20 0 DFADHM COc1ccc(COC(=O)/C=C/C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826205257 607606912 /nfs/dbraw/zinc/60/69/12/607606912.db2.gz QEGGIVBIXADUED-BQYQJAHWSA-N -1 3 316.361 2.521 20 0 DFADHM CN(C)CCN(C)C(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000828030886 603439220 /nfs/dbraw/zinc/43/92/20/603439220.db2.gz LWPDJUKPHUPAQB-UHFFFAOYSA-N -1 3 315.373 2.563 20 0 DFADHM CCN(CC1CCN(C[C@@H](O)c2ccccc2F)CC1)C(=O)[O-] ZINC000827094187 603510894 /nfs/dbraw/zinc/51/08/94/603510894.db2.gz YPWKFJLUBXSCCN-MRXNPFEDSA-N -1 3 324.396 2.571 20 0 DFADHM CN(C)c1cccc(CNCc2ccc(NC(=O)[O-])nc2)c1 ZINC000828072685 603548118 /nfs/dbraw/zinc/54/81/18/603548118.db2.gz AKYYNUREDVGAJE-UHFFFAOYSA-N -1 3 300.362 2.527 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000826250031 607648194 /nfs/dbraw/zinc/64/81/94/607648194.db2.gz GURVJMILHPACEY-UHFFFAOYSA-N -1 3 319.368 2.916 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000826250031 607648196 /nfs/dbraw/zinc/64/81/96/607648196.db2.gz GURVJMILHPACEY-UHFFFAOYSA-N -1 3 319.368 2.916 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000826246659 607648415 /nfs/dbraw/zinc/64/84/15/607648415.db2.gz IPCIRKYXIDEGHD-IFUGULHKSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000826246659 607648417 /nfs/dbraw/zinc/64/84/17/607648417.db2.gz IPCIRKYXIDEGHD-IFUGULHKSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)CCC(C)C ZINC000826246873 607654985 /nfs/dbraw/zinc/65/49/85/607654985.db2.gz NZRDNARYNFOWSY-LBPRGKRZSA-N -1 3 301.394 2.730 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)CCC(C)C ZINC000826246873 607654987 /nfs/dbraw/zinc/65/49/87/607654987.db2.gz NZRDNARYNFOWSY-LBPRGKRZSA-N -1 3 301.394 2.730 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2ccsc2)no1 ZINC000826243614 607658449 /nfs/dbraw/zinc/65/84/49/607658449.db2.gz OPPKHDMLVYUZJQ-UHFFFAOYSA-N -1 3 310.342 2.954 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2ccsc2)no1 ZINC000826243614 607658451 /nfs/dbraw/zinc/65/84/51/607658451.db2.gz OPPKHDMLVYUZJQ-UHFFFAOYSA-N -1 3 310.342 2.954 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825194708 607662705 /nfs/dbraw/zinc/66/27/05/607662705.db2.gz SEDXSWPCKIICIN-DOMZBBRYSA-N -1 3 313.405 2.874 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825194708 607662708 /nfs/dbraw/zinc/66/27/08/607662708.db2.gz SEDXSWPCKIICIN-DOMZBBRYSA-N -1 3 313.405 2.874 20 0 DFADHM CN(Cc1cc(-c2ccccc2)no1)C1CCN(C(=O)[O-])CC1 ZINC000828345896 603985152 /nfs/dbraw/zinc/98/51/52/603985152.db2.gz LZBRYAZATMEEED-UHFFFAOYSA-N -1 3 315.373 2.916 20 0 DFADHM COc1ccc(Cl)cc1CN(C)C1CCN(C(=O)[O-])CC1 ZINC000829404661 603992436 /nfs/dbraw/zinc/99/24/36/603992436.db2.gz WDKHGKCFGARRMR-UHFFFAOYSA-N -1 3 312.797 2.923 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@@H](C)c2ccccc21 ZINC000826244126 607664863 /nfs/dbraw/zinc/66/48/63/607664863.db2.gz HVGNLVJNTMTLTB-GFCCVEGCSA-N -1 3 319.368 2.939 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@@H](C)c2ccccc21 ZINC000826244126 607664866 /nfs/dbraw/zinc/66/48/66/607664866.db2.gz HVGNLVJNTMTLTB-GFCCVEGCSA-N -1 3 319.368 2.939 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000826248055 607670443 /nfs/dbraw/zinc/67/04/43/607670443.db2.gz VHLWXEGCTHUVMS-DGCLKSJQSA-N -1 3 313.405 2.731 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000826248055 607670445 /nfs/dbraw/zinc/67/04/45/607670445.db2.gz VHLWXEGCTHUVMS-DGCLKSJQSA-N -1 3 313.405 2.731 20 0 DFADHM Cc1nc2ccccc2nc1CN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000830794031 604106106 /nfs/dbraw/zinc/10/61/06/604106106.db2.gz ZUILGIZSAYIRHX-CYBMUJFWSA-N -1 3 314.389 2.512 20 0 DFADHM O=C(Nc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826456016 607680723 /nfs/dbraw/zinc/68/07/23/607680723.db2.gz MVZIUCXDWYFHBR-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826456016 607680725 /nfs/dbraw/zinc/68/07/25/607680725.db2.gz MVZIUCXDWYFHBR-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM COC[C@@H](NCCC1CCN(C(=O)[O-])CC1)c1ccc(C)o1 ZINC000828921043 604250479 /nfs/dbraw/zinc/25/04/79/604250479.db2.gz XMGSHEOYVXJTCI-CQSZACIVSA-N -1 3 310.394 2.645 20 0 DFADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cnn(-c2ccccc2)c1 ZINC000825480445 604326968 /nfs/dbraw/zinc/32/69/68/604326968.db2.gz YGBLCRJCZJLBNT-HIFRSBDPSA-N -1 3 314.389 2.665 20 0 DFADHM CC(C)[C@@H](CN[C@@H](C)c1cnn(-c2ccccc2)c1)NC(=O)[O-] ZINC000825485908 604333587 /nfs/dbraw/zinc/33/35/87/604333587.db2.gz SIBOIQLTNYWING-XJKSGUPXSA-N -1 3 316.405 2.815 20 0 DFADHM C[C@H]1CN(CCOc2cccc(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000826058513 604348507 /nfs/dbraw/zinc/34/85/07/604348507.db2.gz PDBQEYXVOVLNRE-FZMZJTMJSA-N -1 3 312.797 2.697 20 0 DFADHM CCn1cc([C@@H](C)NC[C@H](NC(=O)[O-])c2ccccc2)cn1 ZINC000827701349 604378861 /nfs/dbraw/zinc/37/88/61/604378861.db2.gz ZDUICABQLXDQML-DOMZBBRYSA-N -1 3 302.378 2.563 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000833678911 604472885 /nfs/dbraw/zinc/47/28/85/604472885.db2.gz RFBGKELNQKHYAJ-TZMCWYRMSA-N -1 3 317.389 2.820 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC000833611153 604480856 /nfs/dbraw/zinc/48/08/56/604480856.db2.gz MRBZVGSYYZCWED-ZIAGYGMSSA-N -1 3 310.438 2.543 20 0 DFADHM CCCOc1ccc(Br)cc1CN(C)CC(=O)[O-] ZINC000263439205 604538314 /nfs/dbraw/zinc/53/83/14/604538314.db2.gz VSILIMAHCWLLCI-UHFFFAOYSA-N -1 3 316.195 2.754 20 0 DFADHM CCn1c2ccccc2nc1CN(CCC(=O)[O-])CC(C)C ZINC000833684162 604579749 /nfs/dbraw/zinc/57/97/49/604579749.db2.gz QNSXMVRYWBPCIQ-UHFFFAOYSA-N -1 3 303.406 2.989 20 0 DFADHM CC(C)CO[C@H]1CCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC000833490530 604759242 /nfs/dbraw/zinc/75/92/42/604759242.db2.gz YKVYFVFMXUETOC-YOEHRIQHSA-N -1 3 321.417 2.785 20 0 DFADHM O=C([O-])[C@@H](O)C1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000833770799 604762840 /nfs/dbraw/zinc/76/28/40/604762840.db2.gz NXKYJBGCXPPGAY-YLSAJCSVSA-N -1 3 309.793 2.511 20 0 DFADHM CC1=C(C(=O)[O-])C[C@@H](CN(Cc2ccc(F)cc2)C2CC2)O1 ZINC000833585782 604822519 /nfs/dbraw/zinc/82/25/19/604822519.db2.gz YOVDYWAIWGSQRP-HNNXBMFYSA-N -1 3 305.349 2.938 20 0 DFADHM COc1ccc2c(c1)nccc2N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000829516529 604901477 /nfs/dbraw/zinc/90/14/77/604901477.db2.gz ULDCASOCVNAGMG-FZMZJTMJSA-N -1 3 315.373 2.726 20 0 DFADHM Cc1c([C@H](C)NCCNC(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000829859631 604910228 /nfs/dbraw/zinc/91/02/28/604910228.db2.gz PBOFBKGRNAEDPR-JTQLQIEISA-N -1 3 322.796 2.752 20 0 DFADHM COC[C@@H](NCCN(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000828920707 604954763 /nfs/dbraw/zinc/95/47/63/604954763.db2.gz RHIYHNQATAZZEV-GFCCVEGCSA-N -1 3 320.311 2.592 20 0 DFADHM CCN(CCN[C@@H](C)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000827150958 604957868 /nfs/dbraw/zinc/95/78/68/604957868.db2.gz PUBDGTMMERQNLM-AWEZNQCLSA-N -1 3 316.405 2.582 20 0 DFADHM O=C([O-])[C@@H](NCc1ccc(Br)cc1)c1cccnc1 ZINC000833165148 605001137 /nfs/dbraw/zinc/00/11/37/605001137.db2.gz FYYLVQRUYFVOLE-ZDUSSCGKSA-N -1 3 321.174 2.760 20 0 DFADHM c1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCS2)cc1 ZINC000826520892 607729326 /nfs/dbraw/zinc/72/93/26/607729326.db2.gz UQYXPDWNPZHERP-AWEZNQCLSA-N -1 3 324.413 2.556 20 0 DFADHM c1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCS2)cc1 ZINC000826520892 607729328 /nfs/dbraw/zinc/72/93/28/607729328.db2.gz UQYXPDWNPZHERP-AWEZNQCLSA-N -1 3 324.413 2.556 20 0 DFADHM COc1ccc2oc(CN[C@@H]3CCCN(C(=O)[O-])C3)cc2c1 ZINC000833734957 605029238 /nfs/dbraw/zinc/02/92/38/605029238.db2.gz NOMHNPOWIUKPGI-GFCCVEGCSA-N -1 3 304.346 2.673 20 0 DFADHM COc1cc(C)cc(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826178098 607730212 /nfs/dbraw/zinc/73/02/12/607730212.db2.gz JNXZEXGZWREVTF-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Fc1cccnc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000826378636 607730491 /nfs/dbraw/zinc/73/04/91/607730491.db2.gz TXLZZPCGNRTGTE-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM Fc1cccnc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000826378636 607730493 /nfs/dbraw/zinc/73/04/93/607730493.db2.gz TXLZZPCGNRTGTE-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1ccc(C)cc1C)C(=O)[O-] ZINC000833639796 605067662 /nfs/dbraw/zinc/06/76/62/605067662.db2.gz QRTSPPBZSMPQDI-QEORTHHSSA-N -1 3 320.433 2.570 20 0 DFADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824391684 607733292 /nfs/dbraw/zinc/73/32/92/607733292.db2.gz JJYZPQLIVWTQAG-MFKMUULPSA-N -1 3 315.402 2.852 20 0 DFADHM CCC(CC)(CNC(=O)Nc1cccc(CN(C)C)c1)C(=O)[O-] ZINC000833641005 605094418 /nfs/dbraw/zinc/09/44/18/605094418.db2.gz HABNYLTUHWRNBA-UHFFFAOYSA-N -1 3 321.421 2.761 20 0 DFADHM Cc1noc(C)c1[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC000826339003 607734465 /nfs/dbraw/zinc/73/44/65/607734465.db2.gz OCFFRPNLEHYLKH-QMMMGPOBSA-N -1 3 316.340 2.826 20 0 DFADHM Cc1noc(C)c1[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC000826339003 607734466 /nfs/dbraw/zinc/73/44/66/607734466.db2.gz OCFFRPNLEHYLKH-QMMMGPOBSA-N -1 3 316.340 2.826 20 0 DFADHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833515786 605112841 /nfs/dbraw/zinc/11/28/41/605112841.db2.gz MIXZYQDFNLDKAR-BZNIZROVSA-N -1 3 300.358 2.537 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)CN[C@](C)(CC)c1ccccc1)C(=O)[O-] ZINC000833638859 605136088 /nfs/dbraw/zinc/13/60/88/605136088.db2.gz KSRVNBZCMNHPNX-QANKJYHBSA-N -1 3 320.433 2.517 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1cc(C)cc(C)c1)C(=O)[O-] ZINC000833639392 605136572 /nfs/dbraw/zinc/13/65/72/605136572.db2.gz OFTLEOQMFWWAED-ZQIUZPCESA-N -1 3 320.433 2.570 20 0 DFADHM O=C([O-])c1cccc(CNC2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000263445567 605184627 /nfs/dbraw/zinc/18/46/27/605184627.db2.gz XSPAWWUSVKRMPH-UHFFFAOYSA-N -1 3 311.337 2.892 20 0 DFADHM CC(C)CC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC000824237745 607749257 /nfs/dbraw/zinc/74/92/57/607749257.db2.gz VPCKRJQEOALERI-UHFFFAOYSA-N -1 3 316.409 2.531 20 0 DFADHM CC(C)CC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC000824237745 607749258 /nfs/dbraw/zinc/74/92/58/607749258.db2.gz VPCKRJQEOALERI-UHFFFAOYSA-N -1 3 316.409 2.531 20 0 DFADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@H]2c2cccc(C)n2)O1 ZINC000833585764 605358287 /nfs/dbraw/zinc/35/82/87/605358287.db2.gz UZNZYPRHZKVYAA-BBRMVZONSA-N -1 3 302.374 2.674 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3cccc(Cl)n3)C[C@H]21 ZINC000834178798 605430046 /nfs/dbraw/zinc/43/00/46/605430046.db2.gz FTRGGBNINWZVFJ-RAIGVLPGSA-N -1 3 309.797 2.603 20 0 DFADHM Cc1cccc2nc(CN[C@@H](C)C[C@@H]3CCCN3C(=O)[O-])cn21 ZINC000830546348 605502305 /nfs/dbraw/zinc/50/23/05/605502305.db2.gz RXFJYIZQPYNQJS-WFASDCNBSA-N -1 3 316.405 2.653 20 0 DFADHM CC(C)C[C@@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000824229812 607763227 /nfs/dbraw/zinc/76/32/27/607763227.db2.gz VFRPZEYOWYHRKN-LLVKDONJSA-N -1 3 319.434 2.510 20 0 DFADHM CC(C)C[C@@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000824229812 607763228 /nfs/dbraw/zinc/76/32/28/607763228.db2.gz VFRPZEYOWYHRKN-LLVKDONJSA-N -1 3 319.434 2.510 20 0 DFADHM O=C([O-])N1CCC[C@@H](N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000834100867 605590449 /nfs/dbraw/zinc/59/04/49/605590449.db2.gz VYFLVTXPCHXOGO-SJORKVTESA-N -1 3 311.385 2.903 20 0 DFADHM O=C([O-])NC[C@@H]1CCC[C@@H]1NCc1coc(-c2cccs2)n1 ZINC000834215090 605591510 /nfs/dbraw/zinc/59/15/10/605591510.db2.gz OVVGSWDJMIQXSI-JQWIXIFHSA-N -1 3 321.402 2.929 20 0 DFADHM COc1cc(CN(C)[C@H](C)CNC(=O)[O-])ccc1OC(C)C ZINC000833886771 605593207 /nfs/dbraw/zinc/59/32/07/605593207.db2.gz DXXKGZBPZQVMFQ-GFCCVEGCSA-N -1 3 310.394 2.570 20 0 DFADHM O=C([O-])N1CCC[C@H](N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)C1 ZINC000834098508 605597790 /nfs/dbraw/zinc/59/77/90/605597790.db2.gz LFGNZNRIWGCABU-ARFHVFGLSA-N -1 3 322.380 2.778 20 0 DFADHM O=C([O-])NC[C@H]1CCCC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000834220378 605646928 /nfs/dbraw/zinc/64/69/28/605646928.db2.gz HNINUASGRFQWFF-CZUORRHYSA-N -1 3 320.437 2.914 20 0 DFADHM Cc1noc(C)c1CN[C@H](Cc1ccccc1)[C@@H](C)NC(=O)[O-] ZINC000833931328 605786693 /nfs/dbraw/zinc/78/66/93/605786693.db2.gz BVYUOPRNTFLBTA-MLGOLLRUSA-N -1 3 317.389 2.648 20 0 DFADHM Cc1ccc([C@H](O)CN[C@H]2C[C@@H](NC(=O)[O-])c3ccccc32)o1 ZINC000833905699 605799272 /nfs/dbraw/zinc/79/92/72/605799272.db2.gz XLKUUYKOEWWVNX-RRFJBIMHSA-N -1 3 316.357 2.665 20 0 DFADHM O=C([O-])N1CC[C@H](CN2CC(c3nc4ccccc4s3)C2)C1 ZINC000834076139 605889741 /nfs/dbraw/zinc/88/97/41/605889741.db2.gz VVTDFHVLPZNRKM-LLVKDONJSA-N -1 3 317.414 2.695 20 0 DFADHM O=C([O-])N[C@@H](CN[C@@H]1CCCOc2cc(F)ccc21)C1CC1 ZINC000834151697 605913773 /nfs/dbraw/zinc/91/37/73/605913773.db2.gz VVHRHNQPDUITRM-KGLIPLIRSA-N -1 3 308.353 2.675 20 0 DFADHM CCN(CCCN[C@H](C)c1nc2ccccc2n1C)C(=O)[O-] ZINC000833857478 605944013 /nfs/dbraw/zinc/94/40/13/605944013.db2.gz JGAFLHWKAVXREH-GFCCVEGCSA-N -1 3 304.394 2.614 20 0 DFADHM O=C([O-])N[C@H]1CCC[C@H]1NCc1ccccc1OC(F)F ZINC000834174043 605979451 /nfs/dbraw/zinc/97/94/51/605979451.db2.gz HPZXUWCLJWJVRW-MNOVXSKESA-N -1 3 300.305 2.566 20 0 DFADHM CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C1CCOCC1 ZINC000820925257 606042608 /nfs/dbraw/zinc/04/26/08/606042608.db2.gz FQYOKRFISKMJEN-GFCCVEGCSA-N -1 3 322.800 2.532 20 0 DFADHM CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C1CCOCC1 ZINC000820925257 606042612 /nfs/dbraw/zinc/04/26/12/606042612.db2.gz FQYOKRFISKMJEN-GFCCVEGCSA-N -1 3 322.800 2.532 20 0 DFADHM c1c(CNc2ccc(-c3nnn[n-]3)nc2)sc2c1CCCC2 ZINC000823748249 606053628 /nfs/dbraw/zinc/05/36/28/606053628.db2.gz SESPAPMCOAXPQG-UHFFFAOYSA-N -1 3 312.402 2.814 20 0 DFADHM c1c(CNc2ccc(-c3nn[n-]n3)nc2)sc2c1CCCC2 ZINC000823748249 606053631 /nfs/dbraw/zinc/05/36/31/606053631.db2.gz SESPAPMCOAXPQG-UHFFFAOYSA-N -1 3 312.402 2.814 20 0 DFADHM CO[C@]1(C)C[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000821678865 606062007 /nfs/dbraw/zinc/06/20/07/606062007.db2.gz TZAWVSJKOUKLRN-MLGOLLRUSA-N -1 3 319.384 2.646 20 0 DFADHM CO[C@]1(C)C[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000821678865 606062013 /nfs/dbraw/zinc/06/20/13/606062013.db2.gz TZAWVSJKOUKLRN-MLGOLLRUSA-N -1 3 319.384 2.646 20 0 DFADHM CCOc1cccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821427759 606062348 /nfs/dbraw/zinc/06/23/48/606062348.db2.gz ZFAGXMRDECTCRM-NSHDSACASA-N -1 3 310.361 2.834 20 0 DFADHM CCOc1cccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821427759 606062353 /nfs/dbraw/zinc/06/23/53/606062353.db2.gz ZFAGXMRDECTCRM-NSHDSACASA-N -1 3 310.361 2.834 20 0 DFADHM COCCCCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821686932 606062883 /nfs/dbraw/zinc/06/28/83/606062883.db2.gz FYNVSLADRSJMLL-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM COCCCCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821686932 606062888 /nfs/dbraw/zinc/06/28/88/606062888.db2.gz FYNVSLADRSJMLL-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM COc1ccc2c(c1)CCC[C@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821849822 606064419 /nfs/dbraw/zinc/06/44/19/606064419.db2.gz RRSSMUNQSYUIJB-OAHLLOKOSA-N -1 3 322.372 2.760 20 0 DFADHM COc1ccc2c(c1)CCC[C@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821849822 606064422 /nfs/dbraw/zinc/06/44/22/606064422.db2.gz RRSSMUNQSYUIJB-OAHLLOKOSA-N -1 3 322.372 2.760 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000819908266 606085469 /nfs/dbraw/zinc/08/54/69/606085469.db2.gz YPFNXEGHXILLCE-FZMZJTMJSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000819908266 606085473 /nfs/dbraw/zinc/08/54/73/606085473.db2.gz YPFNXEGHXILLCE-FZMZJTMJSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(CNc1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1 ZINC000819984222 606085571 /nfs/dbraw/zinc/08/55/71/606085571.db2.gz RKXKESDUPMGVKO-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CC(C)(CNc1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1 ZINC000819984222 606085577 /nfs/dbraw/zinc/08/55/77/606085577.db2.gz RKXKESDUPMGVKO-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CC[C@@](C)(NCc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC000820854290 606089618 /nfs/dbraw/zinc/08/96/18/606089618.db2.gz SUJFCGZQSDEMQK-GFCCVEGCSA-N -1 3 317.290 2.826 20 0 DFADHM CC[C@@](C)(NCc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000820854290 606089619 /nfs/dbraw/zinc/08/96/19/606089619.db2.gz SUJFCGZQSDEMQK-GFCCVEGCSA-N -1 3 317.290 2.826 20 0 DFADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)Cc1cccs1 ZINC000820276195 606090681 /nfs/dbraw/zinc/09/06/81/606090681.db2.gz UKEIEAXZZUXWHJ-JTQLQIEISA-N -1 3 300.391 2.614 20 0 DFADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)Cc1cccs1 ZINC000820276195 606090684 /nfs/dbraw/zinc/09/06/84/606090684.db2.gz UKEIEAXZZUXWHJ-JTQLQIEISA-N -1 3 300.391 2.614 20 0 DFADHM COc1cccc(F)c1[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821872747 606093350 /nfs/dbraw/zinc/09/33/50/606093350.db2.gz PHDITNCYCWSKAC-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM COc1cccc(F)c1[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821872747 606093356 /nfs/dbraw/zinc/09/33/56/606093356.db2.gz PHDITNCYCWSKAC-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)Sc1ccccc1 ZINC000820280779 606094228 /nfs/dbraw/zinc/09/42/28/606094228.db2.gz OKFPXYRBIXNKCN-LLVKDONJSA-N -1 3 312.402 2.854 20 0 DFADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)Sc1ccccc1 ZINC000820280779 606094232 /nfs/dbraw/zinc/09/42/32/606094232.db2.gz OKFPXYRBIXNKCN-LLVKDONJSA-N -1 3 312.402 2.854 20 0 DFADHM CN(Cc1nccs1)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821618034 606098561 /nfs/dbraw/zinc/09/85/61/606098561.db2.gz NCQGVCDDBMBWLV-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CN(Cc1nccs1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821618034 606098564 /nfs/dbraw/zinc/09/85/64/606098564.db2.gz NCQGVCDDBMBWLV-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CCCCO[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821071473 606098682 /nfs/dbraw/zinc/09/86/82/606098682.db2.gz FWSCNLSJUCGFGE-ZIAGYGMSSA-N -1 3 316.409 2.657 20 0 DFADHM 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320.740 2.606 20 0 DFADHM CC(C)c1nnc(COc2cc(Cl)ccc2-c2nn[n-]n2)o1 ZINC000820206756 606784531 /nfs/dbraw/zinc/78/45/31/606784531.db2.gz ZEIMEOMZNNKUMZ-UHFFFAOYSA-N -1 3 320.740 2.606 20 0 DFADHM CC[C@@H](C)CS[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820870802 606795972 /nfs/dbraw/zinc/79/59/72/606795972.db2.gz ZTLQVEXFCVLOHB-MNOVXSKESA-N -1 3 319.434 2.973 20 0 DFADHM CC[C@@H](C)CS[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820870802 606795970 /nfs/dbraw/zinc/79/59/70/606795970.db2.gz ZTLQVEXFCVLOHB-MNOVXSKESA-N -1 3 319.434 2.973 20 0 DFADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)C(F)=C1CCCC1 ZINC000823414032 606797654 /nfs/dbraw/zinc/79/76/54/606797654.db2.gz QGQRPHWDKVCVJP-UHFFFAOYSA-N -1 3 320.299 2.847 20 0 DFADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)C(F)=C1CCCC1 ZINC000823414032 606797655 /nfs/dbraw/zinc/79/76/55/606797655.db2.gz QGQRPHWDKVCVJP-UHFFFAOYSA-N -1 3 320.299 2.847 20 0 DFADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cccc2[nH]ccc21 ZINC000823418883 606819856 /nfs/dbraw/zinc/81/98/56/606819856.db2.gz YFYMVMMKWAQTRA-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cccc2[nH]ccc21 ZINC000823418883 606819858 /nfs/dbraw/zinc/81/98/58/606819858.db2.gz YFYMVMMKWAQTRA-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM C[C@@H](NC(=O)Nc1ccsc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380484 606829444 /nfs/dbraw/zinc/82/94/44/606829444.db2.gz UQFNNKZCWWLNPF-SECBINFHSA-N -1 3 314.374 2.811 20 0 DFADHM C[C@@H](NC(=O)Nc1ccsc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380484 606829445 /nfs/dbraw/zinc/82/94/45/606829445.db2.gz UQFNNKZCWWLNPF-SECBINFHSA-N -1 3 314.374 2.811 20 0 DFADHM Fc1cccc(CCN(c2ncccc2-c2nnn[n-]2)C2CC2)c1 ZINC000822786090 606835174 /nfs/dbraw/zinc/83/51/74/606835174.db2.gz CWZBNFZKTJEQEQ-UHFFFAOYSA-N -1 3 324.363 2.612 20 0 DFADHM Fc1cccc(CCN(c2ncccc2-c2nn[n-]n2)C2CC2)c1 ZINC000822786090 606835176 /nfs/dbraw/zinc/83/51/76/606835176.db2.gz CWZBNFZKTJEQEQ-UHFFFAOYSA-N -1 3 324.363 2.612 20 0 DFADHM Fc1ccc(NCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822779237 606862755 /nfs/dbraw/zinc/86/27/55/606862755.db2.gz RYCJVCJDARPRSF-UHFFFAOYSA-N -1 3 313.336 2.887 20 0 DFADHM Fc1ccc(NCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822779237 606862756 /nfs/dbraw/zinc/86/27/56/606862756.db2.gz RYCJVCJDARPRSF-UHFFFAOYSA-N -1 3 313.336 2.887 20 0 DFADHM Cc1nc(CCNc2ccc(F)cc2-c2nnn[n-]2)sc1C ZINC000822440181 606875876 /nfs/dbraw/zinc/87/58/76/606875876.db2.gz JOLUSTXYHVZVLT-UHFFFAOYSA-N -1 3 318.381 2.734 20 0 DFADHM Cc1nc(CCNc2ccc(F)cc2-c2nn[n-]n2)sc1C ZINC000822440181 606875877 /nfs/dbraw/zinc/87/58/77/606875877.db2.gz JOLUSTXYHVZVLT-UHFFFAOYSA-N -1 3 318.381 2.734 20 0 DFADHM Cc1cccc(N(C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822308284 606888044 /nfs/dbraw/zinc/88/80/44/606888044.db2.gz BTKLJHWNRDIBPS-KRWDZBQOSA-N -1 3 323.400 2.653 20 0 DFADHM Cc1cccc(N(C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822308284 606888045 /nfs/dbraw/zinc/88/80/45/606888045.db2.gz BTKLJHWNRDIBPS-KRWDZBQOSA-N -1 3 323.400 2.653 20 0 DFADHM CCCC[C@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821040335 606924459 /nfs/dbraw/zinc/92/44/59/606924459.db2.gz KFVKJCDSDDURQH-NWDGAFQWSA-N -1 3 318.377 2.756 20 0 DFADHM CC/C=C(\C)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821001079 606943701 /nfs/dbraw/zinc/94/37/01/606943701.db2.gz OLLUEQQZRKQXRH-WUXMJOGZSA-N -1 3 316.361 2.535 20 0 DFADHM CC/C=C(\C)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821001079 606943702 /nfs/dbraw/zinc/94/37/02/606943702.db2.gz OLLUEQQZRKQXRH-WUXMJOGZSA-N -1 3 316.361 2.535 20 0 DFADHM C[C@@]1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CCCS1 ZINC000820623124 606946196 /nfs/dbraw/zinc/94/61/96/606946196.db2.gz FTLABHZYUGRMKJ-LBPRGKRZSA-N -1 3 310.814 2.613 20 0 DFADHM C[C@@]1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CCCS1 ZINC000820623124 606946197 /nfs/dbraw/zinc/94/61/97/606946197.db2.gz FTLABHZYUGRMKJ-LBPRGKRZSA-N -1 3 310.814 2.613 20 0 DFADHM CCC/C=C\C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821040979 606946509 /nfs/dbraw/zinc/94/65/09/606946509.db2.gz WIQHLNRLHNBTJH-WTKPLQERSA-N -1 3 316.361 2.535 20 0 DFADHM CCC/C=C\C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821040979 606946510 /nfs/dbraw/zinc/94/65/10/606946510.db2.gz WIQHLNRLHNBTJH-WTKPLQERSA-N -1 3 316.361 2.535 20 0 DFADHM c1ccc2c(c1)nc(N1CCC3(CCC3)C1)cc2-c1nnn[n-]1 ZINC000823791646 606948728 /nfs/dbraw/zinc/94/87/28/606948728.db2.gz GWUXHNJCKNDENY-UHFFFAOYSA-N -1 3 306.373 2.795 20 0 DFADHM c1ccc2c(c1)nc(N1CCC3(CCC3)C1)cc2-c1nn[n-]n1 ZINC000823791646 606948729 /nfs/dbraw/zinc/94/87/29/606948729.db2.gz GWUXHNJCKNDENY-UHFFFAOYSA-N -1 3 306.373 2.795 20 0 DFADHM c1cc([C@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)cs1 ZINC000823748141 606949809 /nfs/dbraw/zinc/94/98/09/606949809.db2.gz QYAQCFAKSGFBDD-CQSZACIVSA-N -1 3 313.386 2.506 20 0 DFADHM CC[C@]1(C)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820950087 606950447 /nfs/dbraw/zinc/95/04/47/606950447.db2.gz JLZIWZZJTSPZBX-OAHLLOKOSA-N -1 3 300.366 2.521 20 0 DFADHM CC[C@]1(C)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820950087 606950448 /nfs/dbraw/zinc/95/04/48/606950448.db2.gz JLZIWZZJTSPZBX-OAHLLOKOSA-N -1 3 300.366 2.521 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820950085 606950472 /nfs/dbraw/zinc/95/04/72/606950472.db2.gz JLZIWZZJTSPZBX-HNNXBMFYSA-N -1 3 300.366 2.521 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820950085 606950473 /nfs/dbraw/zinc/95/04/73/606950473.db2.gz JLZIWZZJTSPZBX-HNNXBMFYSA-N -1 3 300.366 2.521 20 0 DFADHM Fc1ccc2c(c1)N(Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000822787349 606966987 /nfs/dbraw/zinc/96/69/87/606966987.db2.gz ZIXGCFIQZBOFKA-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc2c(c1)N(Cc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000822787349 606966989 /nfs/dbraw/zinc/96/69/89/606966989.db2.gz ZIXGCFIQZBOFKA-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820690129 607001436 /nfs/dbraw/zinc/00/14/36/607001436.db2.gz GWDXWSNLEXBYGL-ZYHUDNBSSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820690129 607001438 /nfs/dbraw/zinc/00/14/38/607001438.db2.gz GWDXWSNLEXBYGL-ZYHUDNBSSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820675462 607003058 /nfs/dbraw/zinc/00/30/58/607003058.db2.gz JFDCUIRRLPANQO-UBYNWHESSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820675462 607003060 /nfs/dbraw/zinc/00/30/60/607003060.db2.gz JFDCUIRRLPANQO-UBYNWHESSA-N -1 3 316.336 2.795 20 0 DFADHM Fc1ccc(COc2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000822771985 607007629 /nfs/dbraw/zinc/00/76/29/607007629.db2.gz NRZLOUYMYUTOCK-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(COc2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000822771985 607007631 /nfs/dbraw/zinc/00/76/31/607007631.db2.gz NRZLOUYMYUTOCK-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1cccnc1Cl ZINC000822221507 607030011 /nfs/dbraw/zinc/03/00/11/607030011.db2.gz RLSJMFHTZDDPNZ-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1cccnc1Cl ZINC000822221507 607030013 /nfs/dbraw/zinc/03/00/13/607030013.db2.gz RLSJMFHTZDDPNZ-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(N2CCOC3(CCCC3)C2)c1 ZINC000822568847 607032037 /nfs/dbraw/zinc/03/20/37/607032037.db2.gz ZKBRXPSXZLNLDZ-UHFFFAOYSA-N -1 3 319.796 2.670 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(N2CCOC3(CCCC3)C2)c1 ZINC000822568847 607032039 /nfs/dbraw/zinc/03/20/39/607032039.db2.gz ZKBRXPSXZLNLDZ-UHFFFAOYSA-N -1 3 319.796 2.670 20 0 DFADHM CC(C)(C)C(=O)CSCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819892030 607039426 /nfs/dbraw/zinc/03/94/26/607039426.db2.gz QWOKYSIGBIBFHL-UHFFFAOYSA-N -1 3 308.382 2.854 20 0 DFADHM CC(C)(C)C(=O)CSCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819892030 607039427 /nfs/dbraw/zinc/03/94/27/607039427.db2.gz QWOKYSIGBIBFHL-UHFFFAOYSA-N -1 3 308.382 2.854 20 0 DFADHM CC(C)CO[C@H]1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820098496 607044551 /nfs/dbraw/zinc/04/45/51/607044551.db2.gz ZVLXBMLHEPDMIM-LBPRGKRZSA-N -1 3 321.812 2.771 20 0 DFADHM CC(C)CO[C@H]1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820098496 607044552 /nfs/dbraw/zinc/04/45/52/607044552.db2.gz ZVLXBMLHEPDMIM-LBPRGKRZSA-N -1 3 321.812 2.771 20 0 DFADHM C[C@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820683596 607044829 /nfs/dbraw/zinc/04/48/29/607044829.db2.gz DGDPVXHCOZEBIO-FRRDWIJNSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820683596 607044831 /nfs/dbraw/zinc/04/48/31/607044831.db2.gz DGDPVXHCOZEBIO-FRRDWIJNSA-N -1 3 313.405 2.870 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CC(CC)CC ZINC000821389961 607052584 /nfs/dbraw/zinc/05/25/84/607052584.db2.gz RSJPCUSMZCPQCM-UHFFFAOYSA-N -1 3 318.377 2.997 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CC(CC)CC ZINC000821389961 607052585 /nfs/dbraw/zinc/05/25/85/607052585.db2.gz RSJPCUSMZCPQCM-UHFFFAOYSA-N -1 3 318.377 2.997 20 0 DFADHM O=C(C=C1CCCC1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822923284 607079550 /nfs/dbraw/zinc/07/95/50/607079550.db2.gz PMYDOLNPYDNPKK-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM O=C(C=C1CCCC1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822923284 607079552 /nfs/dbraw/zinc/07/95/52/607079552.db2.gz PMYDOLNPYDNPKK-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM CCC(CC)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820893329 607087574 /nfs/dbraw/zinc/08/75/74/607087574.db2.gz NSEZYZHAEDDWNR-UHFFFAOYSA-N -1 3 305.357 2.795 20 0 DFADHM CCC(CC)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820893329 607087575 /nfs/dbraw/zinc/08/75/75/607087575.db2.gz NSEZYZHAEDDWNR-UHFFFAOYSA-N -1 3 305.357 2.795 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820683896 607088861 /nfs/dbraw/zinc/08/88/61/607088861.db2.gz JBFOZYJHHJGFPF-WDEREUQCSA-N -1 3 317.368 2.795 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820683896 607088862 /nfs/dbraw/zinc/08/88/62/607088862.db2.gz JBFOZYJHHJGFPF-WDEREUQCSA-N -1 3 317.368 2.795 20 0 DFADHM CCC(CC)CC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000820892583 607090270 /nfs/dbraw/zinc/09/02/70/607090270.db2.gz BYTZZZRHFGHMBB-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CCC(CC)CC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000820892583 607090272 /nfs/dbraw/zinc/09/02/72/607090272.db2.gz BYTZZZRHFGHMBB-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CC(C)c1noc([C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000820211411 607135271 /nfs/dbraw/zinc/13/52/71/607135271.db2.gz LXWNMEDUVDLDKC-MRVPVSSYSA-N -1 3 318.312 2.652 20 0 DFADHM CC(C)c1noc([C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000820211411 607135273 /nfs/dbraw/zinc/13/52/73/607135273.db2.gz LXWNMEDUVDLDKC-MRVPVSSYSA-N -1 3 318.312 2.652 20 0 DFADHM Cc1cccc2nc(COc3ccc(-c4nnn[n-]4)cc3F)cn21 ZINC000822340706 607138419 /nfs/dbraw/zinc/13/84/19/607138419.db2.gz DAHBEVHBOJLUAN-UHFFFAOYSA-N -1 3 324.319 2.541 20 0 DFADHM Cc1cccc2nc(COc3ccc(-c4nn[n-]n4)cc3F)cn21 ZINC000822340706 607138420 /nfs/dbraw/zinc/13/84/20/607138420.db2.gz DAHBEVHBOJLUAN-UHFFFAOYSA-N -1 3 324.319 2.541 20 0 DFADHM CC(C)CN(C(=O)C1=CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081444 607153077 /nfs/dbraw/zinc/15/30/77/607153077.db2.gz GRBBVUDAEMKYFS-UHFFFAOYSA-N -1 3 311.389 2.966 20 0 DFADHM CC(C)CN(C(=O)C1=CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081444 607153078 /nfs/dbraw/zinc/15/30/78/607153078.db2.gz GRBBVUDAEMKYFS-UHFFFAOYSA-N -1 3 311.389 2.966 20 0 DFADHM Cc1cc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1F ZINC000822210833 607158742 /nfs/dbraw/zinc/15/87/42/607158742.db2.gz SNOOQIIPTVIQRF-RMKNXTFCSA-N -1 3 324.315 2.933 20 0 DFADHM Cc1cc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1F ZINC000822210833 607158743 /nfs/dbraw/zinc/15/87/43/607158743.db2.gz SNOOQIIPTVIQRF-RMKNXTFCSA-N -1 3 324.315 2.933 20 0 DFADHM Fc1cccc2c1N(Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000822771729 607177600 /nfs/dbraw/zinc/17/76/00/607177600.db2.gz KSGAGZNDNBSCQF-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1cccc2c1N(Cc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000822771729 607177601 /nfs/dbraw/zinc/17/76/01/607177601.db2.gz KSGAGZNDNBSCQF-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM O=C(Cc1cccs1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823115428 607191305 /nfs/dbraw/zinc/19/13/05/607191305.db2.gz NTMFYLBMCBUNFI-UHFFFAOYSA-N -1 3 319.777 2.763 20 0 DFADHM O=C(Cc1cccs1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823115428 607191304 /nfs/dbraw/zinc/19/13/04/607191304.db2.gz NTMFYLBMCBUNFI-UHFFFAOYSA-N -1 3 319.777 2.763 20 0 DFADHM C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820219709 607195621 /nfs/dbraw/zinc/19/56/21/607195621.db2.gz IVSLPCAHBLEBSC-QMMMGPOBSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820219709 607195622 /nfs/dbraw/zinc/19/56/22/607195622.db2.gz IVSLPCAHBLEBSC-QMMMGPOBSA-N -1 3 320.784 2.782 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1C2CCC1CC2 ZINC000823314582 607196916 /nfs/dbraw/zinc/19/69/16/607196916.db2.gz RCFNNNUWIUAFAM-UHFFFAOYSA-N -1 3 318.768 2.679 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1C2CCC1CC2 ZINC000823314582 607196917 /nfs/dbraw/zinc/19/69/17/607196917.db2.gz RCFNNNUWIUAFAM-UHFFFAOYSA-N -1 3 318.768 2.679 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CC=CCC1 ZINC000823318599 607199879 /nfs/dbraw/zinc/19/98/79/607199879.db2.gz FQKHEBUXKOHRLR-JTQLQIEISA-N -1 3 318.768 2.750 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CC=CCC1 ZINC000823318599 607199880 /nfs/dbraw/zinc/19/98/80/607199880.db2.gz FQKHEBUXKOHRLR-JTQLQIEISA-N -1 3 318.768 2.750 20 0 DFADHM CC[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820979147 607200867 /nfs/dbraw/zinc/20/08/67/607200867.db2.gz FSIQLFRFCMHNHE-JTQLQIEISA-N -1 3 320.784 2.926 20 0 DFADHM CC[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820979147 607200868 /nfs/dbraw/zinc/20/08/68/607200868.db2.gz FSIQLFRFCMHNHE-JTQLQIEISA-N -1 3 320.784 2.926 20 0 DFADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000821014061 607224898 /nfs/dbraw/zinc/22/48/98/607224898.db2.gz BKIVJMHVOBPGQU-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000821014061 607224899 /nfs/dbraw/zinc/22/48/99/607224899.db2.gz BKIVJMHVOBPGQU-CMPLNLGQSA-N -1 3 319.434 2.969 20 0 DFADHM O=C1c2ccccc2C[C@H]1Sc1cccc(-c2nnn[n-]2)c1 ZINC000823551167 607234712 /nfs/dbraw/zinc/23/47/12/607234712.db2.gz HUOQYQIDNNRDQS-CQSZACIVSA-N -1 3 308.366 2.766 20 0 DFADHM O=C1c2ccccc2C[C@H]1Sc1cccc(-c2nn[n-]n2)c1 ZINC000823551167 607234713 /nfs/dbraw/zinc/23/47/13/607234713.db2.gz HUOQYQIDNNRDQS-CQSZACIVSA-N -1 3 308.366 2.766 20 0 DFADHM CCCC1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)CCC1 ZINC000821027028 607246055 /nfs/dbraw/zinc/24/60/55/607246055.db2.gz JXOVAIIAZWOASD-UHFFFAOYSA-N -1 3 304.325 2.882 20 0 DFADHM CCCC1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC000821027028 607246056 /nfs/dbraw/zinc/24/60/56/607246056.db2.gz JXOVAIIAZWOASD-UHFFFAOYSA-N -1 3 304.325 2.882 20 0 DFADHM CC(C)C[C@H](C)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820055916 607246703 /nfs/dbraw/zinc/24/67/03/607246703.db2.gz LOVLHLADPJGRCY-JTQLQIEISA-N -1 3 306.341 2.984 20 0 DFADHM CC(C)C[C@H](C)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820055916 607246704 /nfs/dbraw/zinc/24/67/04/607246704.db2.gz LOVLHLADPJGRCY-JTQLQIEISA-N -1 3 306.341 2.984 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820677278 607247667 /nfs/dbraw/zinc/24/76/67/607247667.db2.gz QGXYJNPDWFENJJ-HZAKCSEPSA-N -1 3 302.309 2.658 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820677278 607247668 /nfs/dbraw/zinc/24/76/68/607247668.db2.gz QGXYJNPDWFENJJ-HZAKCSEPSA-N -1 3 302.309 2.658 20 0 DFADHM Cc1ccc(F)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822240227 607249540 /nfs/dbraw/zinc/24/95/40/607249540.db2.gz YCYQBOCBJNKPAY-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1ccc(F)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822240227 607249541 /nfs/dbraw/zinc/24/95/41/607249541.db2.gz YCYQBOCBJNKPAY-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c2ccccc21 ZINC000824919353 607775185 /nfs/dbraw/zinc/77/51/85/607775185.db2.gz UJHHXPHBKLFUHG-QMTHXVAHSA-N -1 3 322.372 2.563 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c2ccccc21 ZINC000824919353 607775186 /nfs/dbraw/zinc/77/51/86/607775186.db2.gz UJHHXPHBKLFUHG-QMTHXVAHSA-N -1 3 322.372 2.563 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CC1(C)C ZINC000825314267 607793023 /nfs/dbraw/zinc/79/30/23/607793023.db2.gz ZYSRBHKGTCWXHB-CQSZACIVSA-N -1 3 313.405 2.651 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CC1(C)C ZINC000825333252 607806445 /nfs/dbraw/zinc/80/64/45/607806445.db2.gz UEQDPAVYNJKWNZ-LLVKDONJSA-N -1 3 314.393 2.673 20 0 DFADHM CC(C)[C@H](O)C(C)(C)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824200970 607819933 /nfs/dbraw/zinc/81/99/33/607819933.db2.gz VEGOCSCMUIJEQG-ZDUSSCGKSA-N -1 3 323.828 2.975 20 0 DFADHM CC(C)[C@H](O)C(C)(C)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824200970 607819934 /nfs/dbraw/zinc/81/99/34/607819934.db2.gz VEGOCSCMUIJEQG-ZDUSSCGKSA-N -1 3 323.828 2.975 20 0 DFADHM C[C@H]1C[C@H](C)CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000824875324 607837957 /nfs/dbraw/zinc/83/79/57/607837957.db2.gz LMIVZRJGIAQQHG-RYUDHWBXSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@H]1C[C@H](C)CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000824875324 607837958 /nfs/dbraw/zinc/83/79/58/607837958.db2.gz LMIVZRJGIAQQHG-RYUDHWBXSA-N -1 3 308.389 2.897 20 0 DFADHM CCOC(=O)/C=C/CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825499320 607843612 /nfs/dbraw/zinc/84/36/12/607843612.db2.gz KGZMRKSZAYBGPD-ONEGZZNKSA-N -1 3 324.793 2.732 20 0 DFADHM CCOC(=O)/C=C/CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825499320 607843613 /nfs/dbraw/zinc/84/36/13/607843613.db2.gz KGZMRKSZAYBGPD-ONEGZZNKSA-N -1 3 324.793 2.732 20 0 DFADHM Cn1cc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000826362499 607844741 /nfs/dbraw/zinc/84/47/41/607844741.db2.gz VKSNHJHVDLKLBL-UHFFFAOYSA-N -1 3 306.782 2.546 20 0 DFADHM Cc1cnccc1CCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826319848 607851446 /nfs/dbraw/zinc/85/14/46/607851446.db2.gz VXSXMKJIHOMXFN-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1cnccc1CCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826319848 607851447 /nfs/dbraw/zinc/85/14/47/607851447.db2.gz VXSXMKJIHOMXFN-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1cc(F)ccc1OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826268777 607861688 /nfs/dbraw/zinc/86/16/88/607861688.db2.gz MVYJYIWAAZHYEG-RMKNXTFCSA-N -1 3 324.315 2.933 20 0 DFADHM Cc1cc(F)ccc1OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826268777 607861689 /nfs/dbraw/zinc/86/16/89/607861689.db2.gz MVYJYIWAAZHYEG-RMKNXTFCSA-N -1 3 324.315 2.933 20 0 DFADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000826504617 607872941 /nfs/dbraw/zinc/87/29/41/607872941.db2.gz ZXLGXKXMMFCVKB-ZDUSSCGKSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000826504617 607872942 /nfs/dbraw/zinc/87/29/42/607872942.db2.gz ZXLGXKXMMFCVKB-ZDUSSCGKSA-N -1 3 316.748 2.633 20 0 DFADHM Cc1ccc([C@@H](O)COc2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC000826284225 607874231 /nfs/dbraw/zinc/87/42/31/607874231.db2.gz NNTWXEOAIOBROY-INIZCTEOSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1ccc([C@H](O)COc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826283880 607876449 /nfs/dbraw/zinc/87/64/49/607876449.db2.gz DJHSJXSLIOBQQQ-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM O=Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000826483968 607893661 /nfs/dbraw/zinc/89/36/61/607893661.db2.gz HRFVZOHGUIPJNP-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM O=Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000826483968 607893662 /nfs/dbraw/zinc/89/36/62/607893662.db2.gz HRFVZOHGUIPJNP-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM c1cc(OCCCSC2CCOCC2)cc(-c2nnn[n-]2)c1 ZINC000826517735 607894196 /nfs/dbraw/zinc/89/41/96/607894196.db2.gz NFCKLFUBQQXYCU-UHFFFAOYSA-N -1 3 320.418 2.548 20 0 DFADHM c1cc(OCCCSC2CCOCC2)cc(-c2nn[n-]n2)c1 ZINC000826517735 607894197 /nfs/dbraw/zinc/89/41/97/607894197.db2.gz NFCKLFUBQQXYCU-UHFFFAOYSA-N -1 3 320.418 2.548 20 0 DFADHM c1cc(Nc2ccc(N3CCCC3)cc2)nc(-c2nnn[n-]2)c1 ZINC000826516824 607895047 /nfs/dbraw/zinc/89/50/47/607895047.db2.gz CXKZHEMMUIQKIS-UHFFFAOYSA-N -1 3 307.361 2.606 20 0 DFADHM CS[C@@H](C)CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826224820 607931260 /nfs/dbraw/zinc/93/12/60/607931260.db2.gz MLDAATJKBMVVQU-ZETCQYMHSA-N -1 3 311.798 2.600 20 0 DFADHM CS[C@@H](C)CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826224820 607931261 /nfs/dbraw/zinc/93/12/61/607931261.db2.gz MLDAATJKBMVVQU-ZETCQYMHSA-N -1 3 311.798 2.600 20 0 DFADHM CS[C@@H](C)CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826224981 607945652 /nfs/dbraw/zinc/94/56/52/607945652.db2.gz QNXJRYWCVNKZJC-UWVGGRQHSA-N -1 3 306.391 2.613 20 0 DFADHM CS[C@@H](C)CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826224981 607945653 /nfs/dbraw/zinc/94/56/53/607945653.db2.gz QNXJRYWCVNKZJC-UWVGGRQHSA-N -1 3 306.391 2.613 20 0 DFADHM CCc1ccccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825722705 607946373 /nfs/dbraw/zinc/94/63/73/607946373.db2.gz KASWYBYZFOTWTR-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM CCc1ccccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825722705 607946374 /nfs/dbraw/zinc/94/63/74/607946374.db2.gz KASWYBYZFOTWTR-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM COc1ccc(C[C@H](C)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826191612 607968211 /nfs/dbraw/zinc/96/82/11/607968211.db2.gz LCIIPJDSQMVQCW-LBPRGKRZSA-N -1 3 324.388 2.561 20 0 DFADHM COc1ccc(C[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826191612 607968212 /nfs/dbraw/zinc/96/82/12/607968212.db2.gz LCIIPJDSQMVQCW-LBPRGKRZSA-N -1 3 324.388 2.561 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)C1CCC(F)(F)CC1 ZINC000826461266 608000491 /nfs/dbraw/zinc/00/04/91/608000491.db2.gz NDEJITYUCHQSCO-UHFFFAOYSA-N -1 3 313.333 2.692 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)C1CCC(F)(F)CC1 ZINC000826461266 608000490 /nfs/dbraw/zinc/00/04/90/608000490.db2.gz NDEJITYUCHQSCO-UHFFFAOYSA-N -1 3 313.333 2.692 20 0 DFADHM CC(C)(C)C1=CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824071611 608003520 /nfs/dbraw/zinc/00/35/20/608003520.db2.gz LBJYDQFYBSCYIP-UHFFFAOYSA-N -1 3 311.389 2.685 20 0 DFADHM CC(C)(C)C1=CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824071611 608003521 /nfs/dbraw/zinc/00/35/21/608003521.db2.gz LBJYDQFYBSCYIP-UHFFFAOYSA-N -1 3 311.389 2.685 20 0 DFADHM O=C(Nc1cncc2ccccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000826459483 608005146 /nfs/dbraw/zinc/00/51/46/608005146.db2.gz LPCZFCBPUHNFSP-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1cncc2ccccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000826459483 608005147 /nfs/dbraw/zinc/00/51/47/608005147.db2.gz LPCZFCBPUHNFSP-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM Cc1cncc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826319490 608017174 /nfs/dbraw/zinc/01/71/74/608017174.db2.gz GANUSFOFONCFLK-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cncc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826319490 608017175 /nfs/dbraw/zinc/01/71/75/608017175.db2.gz GANUSFOFONCFLK-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)NC1CCC(F)(F)CC1 ZINC000826455943 608049812 /nfs/dbraw/zinc/04/98/12/608049812.db2.gz KGPXRSFGGQAARG-UHFFFAOYSA-N -1 3 322.319 2.566 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)NC1CCC(F)(F)CC1 ZINC000826455943 608049813 /nfs/dbraw/zinc/04/98/13/608049813.db2.gz KGPXRSFGGQAARG-UHFFFAOYSA-N -1 3 322.319 2.566 20 0 DFADHM O=C(Oc1ccc(Cl)c(F)c1)c1sccc1-c1nnn[n-]1 ZINC000826468418 608074348 /nfs/dbraw/zinc/07/43/48/608074348.db2.gz PKKOZBDMMJHWNW-UHFFFAOYSA-N -1 3 324.724 2.940 20 0 DFADHM Cc1ccc(C=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826286316 608096029 /nfs/dbraw/zinc/09/60/29/608096029.db2.gz YQBBPYFCEXYQSP-FLIBITNWSA-N -1 3 320.352 2.932 20 0 DFADHM Cc1ccc(C=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826286316 608096030 /nfs/dbraw/zinc/09/60/30/608096030.db2.gz YQBBPYFCEXYQSP-FLIBITNWSA-N -1 3 320.352 2.932 20 0 DFADHM C[C@H]1CCc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824966998 608099171 /nfs/dbraw/zinc/09/91/71/608099171.db2.gz GKPGTMQPDJBKIE-ZBEGNZNMSA-N -1 3 306.373 2.997 20 0 DFADHM C[C@H]1CCc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824966998 608099172 /nfs/dbraw/zinc/09/91/72/608099172.db2.gz GKPGTMQPDJBKIE-ZBEGNZNMSA-N -1 3 306.373 2.997 20 0 DFADHM CCC[C@H](C)CNc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825233585 608135690 /nfs/dbraw/zinc/13/56/90/608135690.db2.gz QYGTXYDWUIBINY-LBPRGKRZSA-N -1 3 319.409 2.740 20 0 DFADHM CCC[C@H](C)CNc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825233585 608135691 /nfs/dbraw/zinc/13/56/91/608135691.db2.gz QYGTXYDWUIBINY-LBPRGKRZSA-N -1 3 319.409 2.740 20 0 DFADHM C[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826231991 608141868 /nfs/dbraw/zinc/14/18/68/608141868.db2.gz AQYPXZPMOLLCQL-LBPRGKRZSA-N -1 3 308.341 2.714 20 0 DFADHM C[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826231991 608141869 /nfs/dbraw/zinc/14/18/69/608141869.db2.gz AQYPXZPMOLLCQL-LBPRGKRZSA-N -1 3 308.341 2.714 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC12CCCCC2 ZINC000826456308 608157978 /nfs/dbraw/zinc/15/79/78/608157978.db2.gz YCUMVUDLGSLVQO-CYBMUJFWSA-N -1 3 312.377 2.711 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC12CCCCC2 ZINC000826456308 608157980 /nfs/dbraw/zinc/15/79/80/608157980.db2.gz YCUMVUDLGSLVQO-CYBMUJFWSA-N -1 3 312.377 2.711 20 0 DFADHM C[C@@H]1CCC[C@@H](COC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000824927427 608170404 /nfs/dbraw/zinc/17/04/04/608170404.db2.gz OFYJIDGKUKXDBH-NXEZZACHSA-N -1 3 306.391 2.911 20 0 DFADHM C[C@@H]1CCC[C@@H](COC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000824928502 608172324 /nfs/dbraw/zinc/17/23/24/608172324.db2.gz UGKJKPLBWHBHQL-NXEZZACHSA-N -1 3 306.391 2.911 20 0 DFADHM C[C@@H]1CCC[C@@H](COC(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000824928502 608172326 /nfs/dbraw/zinc/17/23/26/608172326.db2.gz UGKJKPLBWHBHQL-NXEZZACHSA-N -1 3 306.391 2.911 20 0 DFADHM COc1ccccc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826219291 608184172 /nfs/dbraw/zinc/18/41/72/608184172.db2.gz XOYYMWGURQQYOL-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM COc1ccccc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826219291 608184174 /nfs/dbraw/zinc/18/41/74/608184174.db2.gz XOYYMWGURQQYOL-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM c1c2c(nc(N[C@@H]3CC34CCCCC4)c1-c1nnn[n-]1)CCC2 ZINC000826511898 608194685 /nfs/dbraw/zinc/19/46/85/608194685.db2.gz ISWKCIXERNKYFX-CQSZACIVSA-N -1 3 310.405 2.885 20 0 DFADHM c1c2c(nc(N[C@@H]3CC34CCCCC4)c1-c1nn[n-]n1)CCC2 ZINC000826511898 608194686 /nfs/dbraw/zinc/19/46/86/608194686.db2.gz ISWKCIXERNKYFX-CQSZACIVSA-N -1 3 310.405 2.885 20 0 DFADHM Cc1nscc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826340361 608212479 /nfs/dbraw/zinc/21/24/79/608212479.db2.gz VAUHKZHJKGPQPQ-VIFPVBQESA-N -1 3 315.358 2.550 20 0 DFADHM Cc1nscc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826340361 608212481 /nfs/dbraw/zinc/21/24/81/608212481.db2.gz VAUHKZHJKGPQPQ-VIFPVBQESA-N -1 3 315.358 2.550 20 0 DFADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000826511033 608221328 /nfs/dbraw/zinc/22/13/28/608221328.db2.gz YOVABGGPASTKMJ-AWEZNQCLSA-N -1 3 316.748 2.633 20 0 DFADHM CO[C@@H]1C[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C1(C)C ZINC000826144359 608231862 /nfs/dbraw/zinc/23/18/62/608231862.db2.gz HJXHCYWYKIKBPC-UONOGXRCSA-N -1 3 324.388 2.640 20 0 DFADHM CO[C@@H]1C[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C1(C)C ZINC000826144359 608231864 /nfs/dbraw/zinc/23/18/64/608231864.db2.gz HJXHCYWYKIKBPC-UONOGXRCSA-N -1 3 324.388 2.640 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825194909 608241232 /nfs/dbraw/zinc/24/12/32/608241232.db2.gz SUBXISNATHHUIH-GWCFXTLKSA-N -1 3 300.366 2.662 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825194909 608241233 /nfs/dbraw/zinc/24/12/33/608241233.db2.gz SUBXISNATHHUIH-GWCFXTLKSA-N -1 3 300.366 2.662 20 0 DFADHM CC(C)[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824213439 608242054 /nfs/dbraw/zinc/24/20/54/608242054.db2.gz BFBWKFRMQSFQPY-ZYHUDNBSSA-N -1 3 322.800 2.531 20 0 DFADHM CC(C)[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824213439 608242055 /nfs/dbraw/zinc/24/20/55/608242055.db2.gz BFBWKFRMQSFQPY-ZYHUDNBSSA-N -1 3 322.800 2.531 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccccn1)C1CC1 ZINC000826371918 608262494 /nfs/dbraw/zinc/26/24/94/608262494.db2.gz ZBMQFZQDTVBKCV-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccccn1)C1CC1 ZINC000826371918 608262496 /nfs/dbraw/zinc/26/24/96/608262496.db2.gz ZBMQFZQDTVBKCV-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM CSc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000826231141 608276757 /nfs/dbraw/zinc/27/67/57/608276757.db2.gz YSCCYLJISCQOJC-UHFFFAOYSA-N -1 3 312.402 2.904 20 0 DFADHM CSc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000826231141 608276758 /nfs/dbraw/zinc/27/67/58/608276758.db2.gz YSCCYLJISCQOJC-UHFFFAOYSA-N -1 3 312.402 2.904 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](C)c2ccc(F)cc2)n1 ZINC000826276149 608279002 /nfs/dbraw/zinc/27/90/02/608279002.db2.gz WIJIHOXMIZHFNZ-JTQLQIEISA-N -1 3 312.352 2.925 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](C)c2ccc(F)cc2)n1 ZINC000826276149 608279003 /nfs/dbraw/zinc/27/90/03/608279003.db2.gz WIJIHOXMIZHFNZ-JTQLQIEISA-N -1 3 312.352 2.925 20 0 DFADHM CSCCCCNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826228925 608289551 /nfs/dbraw/zinc/28/95/51/608289551.db2.gz HADKDZLDLIMKAY-UHFFFAOYSA-N -1 3 318.450 2.696 20 0 DFADHM CSCCCCNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826228925 608289553 /nfs/dbraw/zinc/28/95/53/608289553.db2.gz HADKDZLDLIMKAY-UHFFFAOYSA-N -1 3 318.450 2.696 20 0 DFADHM Cc1nnc(CSc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826335858 608291643 /nfs/dbraw/zinc/29/16/43/608291643.db2.gz DTVVSHPSZFHAJF-UHFFFAOYSA-N -1 3 324.822 2.972 20 0 DFADHM Cc1nnc(CSc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826335858 608291641 /nfs/dbraw/zinc/29/16/41/608291641.db2.gz DTVVSHPSZFHAJF-UHFFFAOYSA-N -1 3 324.822 2.972 20 0 DFADHM CCOc1cc(C)ccc1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC000825615849 608294816 /nfs/dbraw/zinc/29/48/16/608294816.db2.gz NDGDSFUVUNGJDC-UHFFFAOYSA-N -1 3 324.388 2.889 20 0 DFADHM CCOc1cc(C)ccc1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC000825615849 608294817 /nfs/dbraw/zinc/29/48/17/608294817.db2.gz NDGDSFUVUNGJDC-UHFFFAOYSA-N -1 3 324.388 2.889 20 0 DFADHM CC[C@@]1(C)CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000825165252 608296369 /nfs/dbraw/zinc/29/63/69/608296369.db2.gz XAESXQNJSGIOHT-KRWDZBQOSA-N -1 3 312.421 2.767 20 0 DFADHM CC[C@@]1(C)CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000825165252 608296371 /nfs/dbraw/zinc/29/63/71/608296371.db2.gz XAESXQNJSGIOHT-KRWDZBQOSA-N -1 3 312.421 2.767 20 0 DFADHM COCCC1(CNc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC000826155742 608296507 /nfs/dbraw/zinc/29/65/07/608296507.db2.gz ZYMLUPAXMHGSJO-UHFFFAOYSA-N -1 3 316.409 2.579 20 0 DFADHM COCCC1(CNc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC000826155742 608296509 /nfs/dbraw/zinc/29/65/09/608296509.db2.gz ZYMLUPAXMHGSJO-UHFFFAOYSA-N -1 3 316.409 2.579 20 0 DFADHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@@H]1C ZINC000824962270 608303363 /nfs/dbraw/zinc/30/33/63/608303363.db2.gz RLALDSFGLUZWHM-NEPJUHHUSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@@H]1C ZINC000824962270 608303364 /nfs/dbraw/zinc/30/33/64/608303364.db2.gz RLALDSFGLUZWHM-NEPJUHHUSA-N -1 3 308.389 2.897 20 0 DFADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000826440265 608304234 /nfs/dbraw/zinc/30/42/34/608304234.db2.gz GMMVWXMFNYTASZ-UHFFFAOYSA-N -1 3 319.368 2.560 20 0 DFADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000826440265 608304236 /nfs/dbraw/zinc/30/42/36/608304236.db2.gz GMMVWXMFNYTASZ-UHFFFAOYSA-N -1 3 319.368 2.560 20 0 DFADHM Cc1ccc2c(c1)CCN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826294597 608323880 /nfs/dbraw/zinc/32/38/80/608323880.db2.gz WPNREVSWRSHNCE-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1ccc2c(c1)CCN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826294597 608323881 /nfs/dbraw/zinc/32/38/81/608323881.db2.gz WPNREVSWRSHNCE-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM CCN(C(=O)[C@H](C)C1CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362273 608344341 /nfs/dbraw/zinc/34/43/41/608344341.db2.gz LRONYQBUYBEONF-SECBINFHSA-N -1 3 319.796 2.919 20 0 DFADHM CCN(C(=O)[C@H](C)C1CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362273 608344343 /nfs/dbraw/zinc/34/43/43/608344343.db2.gz LRONYQBUYBEONF-SECBINFHSA-N -1 3 319.796 2.919 20 0 DFADHM CCC[C@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825232167 608348547 /nfs/dbraw/zinc/34/85/47/608348547.db2.gz DERFYRKJBRTKBQ-NSHDSACASA-N -1 3 318.377 2.745 20 0 DFADHM CCC[C@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825232167 608348549 /nfs/dbraw/zinc/34/85/49/608348549.db2.gz DERFYRKJBRTKBQ-NSHDSACASA-N -1 3 318.377 2.745 20 0 DFADHM Oc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826511456 608372171 /nfs/dbraw/zinc/37/21/71/608372171.db2.gz QXTSLHUCMGYOKL-UHFFFAOYSA-N -1 3 301.737 2.838 20 0 DFADHM Oc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826511456 608372172 /nfs/dbraw/zinc/37/21/72/608372172.db2.gz QXTSLHUCMGYOKL-UHFFFAOYSA-N -1 3 301.737 2.838 20 0 DFADHM Clc1cc(Oc2ccccc2-c2nnn[n-]2)nc(C2CC2)n1 ZINC000826351315 608388573 /nfs/dbraw/zinc/38/85/73/608388573.db2.gz IDVSRJNZIVLZQG-UHFFFAOYSA-N -1 3 314.736 2.980 20 0 DFADHM Clc1cc(Oc2ccccc2-c2nn[n-]n2)nc(C2CC2)n1 ZINC000826351315 608388575 /nfs/dbraw/zinc/38/85/75/608388575.db2.gz IDVSRJNZIVLZQG-UHFFFAOYSA-N -1 3 314.736 2.980 20 0 DFADHM Cc1nc(SCc2cccc(-c3nnn[n-]3)c2F)oc1C ZINC000826327619 608396026 /nfs/dbraw/zinc/39/60/26/608396026.db2.gz OEUJGYNGFDOAPJ-UHFFFAOYSA-N -1 3 305.338 2.903 20 0 DFADHM Cc1nc(SCc2cccc(-c3nn[n-]n3)c2F)oc1C ZINC000826327619 608396027 /nfs/dbraw/zinc/39/60/27/608396027.db2.gz OEUJGYNGFDOAPJ-UHFFFAOYSA-N -1 3 305.338 2.903 20 0 DFADHM Fc1c(CN2CCC[C@@H]2c2ccco2)cccc1-c1nnn[n-]1 ZINC000826371255 608396884 /nfs/dbraw/zinc/39/68/84/608396884.db2.gz YNEHMPHEWDGRJD-CYBMUJFWSA-N -1 3 313.336 2.936 20 0 DFADHM Fc1cccc(OCc2cccc(-c3nnn[n-]3)c2F)c1F ZINC000826378137 608397538 /nfs/dbraw/zinc/39/75/38/608397538.db2.gz XGCRXGUUELPXAQ-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1cccc(OCc2cccc(-c3nn[n-]n3)c2F)c1F ZINC000826378137 608397539 /nfs/dbraw/zinc/39/75/39/608397539.db2.gz XGCRXGUUELPXAQ-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1c(CN2CCC[C@@H]2c2ccc[nH]2)cccc1-c1nnn[n-]1 ZINC000826371246 608402852 /nfs/dbraw/zinc/40/28/52/608402852.db2.gz YETFYOZSKSXEHK-CQSZACIVSA-N -1 3 312.352 2.671 20 0 DFADHM CCSCCSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825674711 608404240 /nfs/dbraw/zinc/40/42/40/608404240.db2.gz QZQNZZYZEHMLDQ-UHFFFAOYSA-N -1 3 310.448 2.732 20 0 DFADHM Fc1c(CN(Cc2cccnc2)C2CC2)cccc1-c1nnn[n-]1 ZINC000826370579 608415373 /nfs/dbraw/zinc/41/53/73/608415373.db2.gz ZMRPEHVCCIQVPY-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM Fc1c(CN(Cc2cccnc2)C2CC2)cccc1-c1nn[n-]n1 ZINC000826370579 608415375 /nfs/dbraw/zinc/41/53/75/608415375.db2.gz ZMRPEHVCCIQVPY-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM Fc1c(CN(Cc2ccccn2)C2CC2)cccc1-c1nnn[n-]1 ZINC000826370538 608421258 /nfs/dbraw/zinc/42/12/58/608421258.db2.gz XUJJGMBSSYVSLT-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM Fc1c(CN(Cc2ccccn2)C2CC2)cccc1-c1nn[n-]n1 ZINC000826370538 608421259 /nfs/dbraw/zinc/42/12/59/608421259.db2.gz XUJJGMBSSYVSLT-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM Cc1ccsc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826315655 608436821 /nfs/dbraw/zinc/43/68/21/608436821.db2.gz PFZWPXKZQBBILM-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1ccsc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826315655 608436822 /nfs/dbraw/zinc/43/68/22/608436822.db2.gz PFZWPXKZQBBILM-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H](C)O1 ZINC000824892426 608444130 /nfs/dbraw/zinc/44/41/30/608444130.db2.gz ICUXRQDMJZEVAN-DOFRTFSJSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H](C)O1 ZINC000824892426 608444132 /nfs/dbraw/zinc/44/41/32/608444132.db2.gz ICUXRQDMJZEVAN-DOFRTFSJSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@@H]1CC(Nc2nc3ccccc3cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824898449 608444701 /nfs/dbraw/zinc/44/47/01/608444701.db2.gz FLIJYHBYMFQFMO-GHMZBOCLSA-N -1 3 324.388 2.783 20 0 DFADHM C[C@@H]1CC(Nc2nc3ccccc3cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824898449 608444702 /nfs/dbraw/zinc/44/47/02/608444702.db2.gz FLIJYHBYMFQFMO-GHMZBOCLSA-N -1 3 324.388 2.783 20 0 DFADHM C[C@H]1CC(Nc2cc(Cl)ccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824892637 608444928 /nfs/dbraw/zinc/44/49/28/608444928.db2.gz LFFPSRJYBFORBC-IUCAKERBSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@H]1CC(Nc2cc(Cl)ccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824892637 608444929 /nfs/dbraw/zinc/44/49/29/608444929.db2.gz LFFPSRJYBFORBC-IUCAKERBSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@@H](NCc1ncc(C2CC2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824635110 608461401 /nfs/dbraw/zinc/46/14/01/608461401.db2.gz ZAAQGCQMEJADFP-SNVBAGLBSA-N -1 3 310.361 2.583 20 0 DFADHM C[C@@H](NCc1ncc(C2CC2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824635110 608461402 /nfs/dbraw/zinc/46/14/02/608461402.db2.gz ZAAQGCQMEJADFP-SNVBAGLBSA-N -1 3 310.361 2.583 20 0 DFADHM CC/C=C(/C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825218480 608483040 /nfs/dbraw/zinc/48/30/40/608483040.db2.gz DAJMNHUZCZMOLW-PQMHYQBVSA-N -1 3 323.400 2.839 20 0 DFADHM CC/C=C(/C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825218480 608483041 /nfs/dbraw/zinc/48/30/41/608483041.db2.gz DAJMNHUZCZMOLW-PQMHYQBVSA-N -1 3 323.400 2.839 20 0 DFADHM C[C@H](c1ccccc1F)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824773223 608518390 /nfs/dbraw/zinc/51/83/90/608518390.db2.gz ZZJMBBRHSVSXFS-SNVBAGLBSA-N -1 3 301.325 2.792 20 0 DFADHM C[C@H](c1ccccc1F)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824773223 608518395 /nfs/dbraw/zinc/51/83/95/608518395.db2.gz ZZJMBBRHSVSXFS-SNVBAGLBSA-N -1 3 301.325 2.792 20 0 DFADHM CCOc1ccc(CN(C)c2nc(-c3nnn[n-]3)ccc2C)cc1 ZINC000825638275 608540391 /nfs/dbraw/zinc/54/03/91/608540391.db2.gz IPEZIQURUUGWKV-UHFFFAOYSA-N -1 3 324.388 2.605 20 0 DFADHM Fc1cccc(N2CCC(c3cccnc3)CC2)c1-c1nnn[n-]1 ZINC000826377122 608554027 /nfs/dbraw/zinc/55/40/27/608554027.db2.gz GAZXHEBAJYHVIK-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1cccc(N2CCC(c3cccnc3)CC2)c1-c1nn[n-]n1 ZINC000826377122 608554031 /nfs/dbraw/zinc/55/40/31/608554031.db2.gz GAZXHEBAJYHVIK-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM CCCCCC(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000825268589 608570260 /nfs/dbraw/zinc/57/02/60/608570260.db2.gz VPPZTNVTLSRJID-UHFFFAOYSA-N -1 3 314.393 2.659 20 0 DFADHM CCCCCC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000825268589 608570262 /nfs/dbraw/zinc/57/02/62/608570262.db2.gz VPPZTNVTLSRJID-UHFFFAOYSA-N -1 3 314.393 2.659 20 0 DFADHM CCOc1cccc([C@@H]2C[C@H]2Nc2ncccc2-c2nnn[n-]2)c1 ZINC000825649277 608589187 /nfs/dbraw/zinc/58/91/87/608589187.db2.gz NLDPNZZKHOCRFH-LSDHHAIUSA-N -1 3 322.372 2.628 20 0 DFADHM CCOc1cccc([C@@H]2C[C@H]2Nc2ncccc2-c2nn[n-]n2)c1 ZINC000825649277 608589189 /nfs/dbraw/zinc/58/91/89/608589189.db2.gz NLDPNZZKHOCRFH-LSDHHAIUSA-N -1 3 322.372 2.628 20 0 DFADHM CN(Cc1cccc(F)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825980526 608644518 /nfs/dbraw/zinc/64/45/18/608644518.db2.gz CPDOALLKFRVYDB-UHFFFAOYSA-N -1 3 315.327 2.777 20 0 DFADHM CN(Cc1cccc(F)c1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825980526 608644520 /nfs/dbraw/zinc/64/45/20/608644520.db2.gz CPDOALLKFRVYDB-UHFFFAOYSA-N -1 3 315.327 2.777 20 0 DFADHM O=C(Oc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826467586 608672842 /nfs/dbraw/zinc/67/28/42/608672842.db2.gz CQCOBQCIHGTDST-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826467586 608672844 /nfs/dbraw/zinc/67/28/44/608672844.db2.gz CQCOBQCIHGTDST-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1cc2ccccc2o1 ZINC000825962382 608730876 /nfs/dbraw/zinc/73/08/76/608730876.db2.gz YKUORPIAZZOOBW-UHFFFAOYSA-N -1 3 309.329 2.838 20 0 DFADHM CCN(CCNc1cnccc1-c1nnn[n-]1)c1ccccc1C ZINC000825424198 608774481 /nfs/dbraw/zinc/77/44/81/608774481.db2.gz AHNMQNCXMKDWEM-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM CCN(CCNc1cnccc1-c1nn[n-]n1)c1ccccc1C ZINC000825424198 608774485 /nfs/dbraw/zinc/77/44/85/608774485.db2.gz AHNMQNCXMKDWEM-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM C[C@H](CNc1cnccc1-c1nnn[n-]1)COCc1ccccc1 ZINC000824433728 608776369 /nfs/dbraw/zinc/77/63/69/608776369.db2.gz HGFCSPSUNHCREJ-CYBMUJFWSA-N -1 3 324.388 2.527 20 0 DFADHM C[C@H](CNc1cnccc1-c1nn[n-]n1)COCc1ccccc1 ZINC000824433728 608776373 /nfs/dbraw/zinc/77/63/73/608776373.db2.gz HGFCSPSUNHCREJ-CYBMUJFWSA-N -1 3 324.388 2.527 20 0 DFADHM CC(C)(CNc1cnccc1-c1nnn[n-]1)c1cccs1 ZINC000824162459 608783346 /nfs/dbraw/zinc/78/33/46/608783346.db2.gz IOCYGIYDRWXERI-UHFFFAOYSA-N -1 3 300.391 2.713 20 0 DFADHM CC(C)(CNc1cnccc1-c1nn[n-]n1)c1cccs1 ZINC000824162459 608783347 /nfs/dbraw/zinc/78/33/47/608783347.db2.gz IOCYGIYDRWXERI-UHFFFAOYSA-N -1 3 300.391 2.713 20 0 DFADHM c1ccc(SC2(CNc3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826522805 608785779 /nfs/dbraw/zinc/78/57/79/608785779.db2.gz PGMALFITGQLZBU-UHFFFAOYSA-N -1 3 324.413 2.999 20 0 DFADHM c1ccc(SC2(CNc3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826522805 608785781 /nfs/dbraw/zinc/78/57/81/608785781.db2.gz PGMALFITGQLZBU-UHFFFAOYSA-N -1 3 324.413 2.999 20 0 DFADHM COc1ccc([C@H](C)CCNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826187907 608786446 /nfs/dbraw/zinc/78/64/46/608786446.db2.gz ICGQGMRSXOYIBD-GFCCVEGCSA-N -1 3 324.388 2.876 20 0 DFADHM COc1ccc([C@H](C)CCNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826187907 608786448 /nfs/dbraw/zinc/78/64/48/608786448.db2.gz ICGQGMRSXOYIBD-GFCCVEGCSA-N -1 3 324.388 2.876 20 0 DFADHM CCS[C@@H]1CCC[C@H](Nc2cnccc2-c2nnn[n-]2)C1 ZINC000825668548 608788768 /nfs/dbraw/zinc/78/87/68/608788768.db2.gz GLQOVZFQQIRZHR-WDEREUQCSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@@H]1CCC[C@H](Nc2cnccc2-c2nn[n-]n2)C1 ZINC000825668548 608788770 /nfs/dbraw/zinc/78/87/70/608788770.db2.gz GLQOVZFQQIRZHR-WDEREUQCSA-N -1 3 304.423 2.738 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NCCSCC(F)(F)F ZINC000826372083 608800386 /nfs/dbraw/zinc/80/03/86/608800386.db2.gz GXYQVGIYXCGTNJ-UHFFFAOYSA-N -1 3 321.303 2.713 20 0 DFADHM Cc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c(C)c1 ZINC000826291644 608861523 /nfs/dbraw/zinc/86/15/23/608861523.db2.gz OUWFXWSGFWRNOA-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c(C)c1 ZINC000826291644 608861524 /nfs/dbraw/zinc/86/15/24/608861524.db2.gz OUWFXWSGFWRNOA-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM CC[C@@H]1C[C@@H](CNc2cccc(-c3nnn[n-]3)c2C)CCO1 ZINC000825184025 609171951 /nfs/dbraw/zinc/17/19/51/609171951.db2.gz QMRPBCWRSDPNTI-QWHCGFSZSA-N -1 3 301.394 2.792 20 0 DFADHM CC[C@@H]1C[C@@H](CNc2cccc(-c3nn[n-]n3)c2C)CCO1 ZINC000825184025 609171952 /nfs/dbraw/zinc/17/19/52/609171952.db2.gz QMRPBCWRSDPNTI-QWHCGFSZSA-N -1 3 301.394 2.792 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCO[C@@H](CC(C)C)C2)n1 ZINC000826276290 609172222 /nfs/dbraw/zinc/17/22/22/609172222.db2.gz ZSTZTCCTTTVJLC-OLZOCXBDSA-N -1 3 316.409 2.576 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCO[C@@H](CC(C)C)C2)n1 ZINC000826276290 609172224 /nfs/dbraw/zinc/17/22/24/609172224.db2.gz ZSTZTCCTTTVJLC-OLZOCXBDSA-N -1 3 316.409 2.576 20 0 DFADHM Cc1occc1SCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826342562 609179345 /nfs/dbraw/zinc/17/93/45/609179345.db2.gz QHHZSAISXPPNRN-UHFFFAOYSA-N -1 3 321.387 2.560 20 0 DFADHM Cc1occc1SCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826342562 609179346 /nfs/dbraw/zinc/17/93/46/609179346.db2.gz QHHZSAISXPPNRN-UHFFFAOYSA-N -1 3 321.387 2.560 20 0 DFADHM C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824915206 609228057 /nfs/dbraw/zinc/22/80/57/609228057.db2.gz CIGMXWGCQBVNTD-IINYFYTJSA-N -1 3 322.372 2.563 20 0 DFADHM C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824915206 609228059 /nfs/dbraw/zinc/22/80/59/609228059.db2.gz CIGMXWGCQBVNTD-IINYFYTJSA-N -1 3 322.372 2.563 20 0 DFADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824876379 609286126 /nfs/dbraw/zinc/28/61/26/609286126.db2.gz RZCGBLBWSMJEKP-AOOOYVTPSA-N -1 3 319.796 2.638 20 0 DFADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824876379 609286127 /nfs/dbraw/zinc/28/61/27/609286127.db2.gz RZCGBLBWSMJEKP-AOOOYVTPSA-N -1 3 319.796 2.638 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccc2c(c1)COC2 ZINC000826279026 609311485 /nfs/dbraw/zinc/31/14/85/609311485.db2.gz BYJOZAQVZRUKHY-UHFFFAOYSA-N -1 3 308.341 2.784 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1ccc2c(c1)COC2 ZINC000826279026 609311487 /nfs/dbraw/zinc/31/14/87/609311487.db2.gz BYJOZAQVZRUKHY-UHFFFAOYSA-N -1 3 308.341 2.784 20 0 DFADHM CC1(C)C[C@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)C(C)(C)O1 ZINC000824791025 609318712 /nfs/dbraw/zinc/31/87/12/609318712.db2.gz VYCBDNBYGUTCQR-NSHDSACASA-N -1 3 323.347 2.903 20 0 DFADHM CC1(C)C[C@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C(C)(C)O1 ZINC000824791025 609318713 /nfs/dbraw/zinc/31/87/13/609318713.db2.gz VYCBDNBYGUTCQR-NSHDSACASA-N -1 3 323.347 2.903 20 0 DFADHM CN(C[C@@H]1CCCC[C@@H]1O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825908469 609325464 /nfs/dbraw/zinc/32/54/64/609325464.db2.gz IEOLZKOCIQFRKN-HZMBPMFUSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@@H]1CCCC[C@@H]1O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825908469 609325466 /nfs/dbraw/zinc/32/54/66/609325466.db2.gz IEOLZKOCIQFRKN-HZMBPMFUSA-N -1 3 321.812 2.507 20 0 DFADHM CCc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000825700312 609328708 /nfs/dbraw/zinc/32/87/08/609328708.db2.gz AFNUKUNTRRWEJF-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM CCc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000825700312 609328709 /nfs/dbraw/zinc/32/87/09/609328709.db2.gz AFNUKUNTRRWEJF-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824795831 609391609 /nfs/dbraw/zinc/39/16/09/609391609.db2.gz GJRGQDQVWCQTEB-CYBMUJFWSA-N -1 3 300.362 2.736 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824795831 609391611 /nfs/dbraw/zinc/39/16/11/609391611.db2.gz GJRGQDQVWCQTEB-CYBMUJFWSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824472873 609391755 /nfs/dbraw/zinc/39/17/55/609391755.db2.gz XOKXNFVTYDCDSI-RISCZKNCSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824472873 609391757 /nfs/dbraw/zinc/39/17/57/609391757.db2.gz XOKXNFVTYDCDSI-RISCZKNCSA-N -1 3 313.405 2.870 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccccc1C ZINC000824019761 609419799 /nfs/dbraw/zinc/41/97/99/609419799.db2.gz NMDCNQCLNDDYLM-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1ccccc1C ZINC000824019761 609419802 /nfs/dbraw/zinc/41/98/02/609419802.db2.gz NMDCNQCLNDDYLM-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccc(CO)cc1 ZINC000826242794 609433630 /nfs/dbraw/zinc/43/36/30/609433630.db2.gz GRFSRTQODGNWCN-UHFFFAOYSA-N -1 3 310.357 2.555 20 0 DFADHM Cc1nc2c(c(Sc3ccc(-c4nnn[n-]4)cc3)n1)CCCC2 ZINC000826328495 609438084 /nfs/dbraw/zinc/43/80/84/609438084.db2.gz SRMLCMDKBHIAGJ-UHFFFAOYSA-N -1 3 324.413 2.995 20 0 DFADHM Cc1nc2c(c(Sc3ccc(-c4nn[n-]n4)cc3)n1)CCCC2 ZINC000826328495 609438085 /nfs/dbraw/zinc/43/80/85/609438085.db2.gz SRMLCMDKBHIAGJ-UHFFFAOYSA-N -1 3 324.413 2.995 20 0 DFADHM c1ccc2c(c1)CC[C@@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826523304 609458850 /nfs/dbraw/zinc/45/88/50/609458850.db2.gz IEFMOLFZTFXLEN-ZDUSSCGKSA-N -1 3 317.356 2.614 20 0 DFADHM c1ccc2c(c1)CC[C@@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826523304 609458851 /nfs/dbraw/zinc/45/88/51/609458851.db2.gz IEFMOLFZTFXLEN-ZDUSSCGKSA-N -1 3 317.356 2.614 20 0 DFADHM CO[C@H]1Cc2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2C1 ZINC000826147267 609481029 /nfs/dbraw/zinc/48/10/29/609481029.db2.gz RJRZKQHUPBHLIP-KRWDZBQOSA-N -1 3 321.384 2.592 20 0 DFADHM CO[C@H]1Cc2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2C1 ZINC000826147267 609481030 /nfs/dbraw/zinc/48/10/30/609481030.db2.gz RJRZKQHUPBHLIP-KRWDZBQOSA-N -1 3 321.384 2.592 20 0 DFADHM CC(C)Oc1ccc(N[C@H]2CCO[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000824329358 609490141 /nfs/dbraw/zinc/49/01/41/609490141.db2.gz NEGYUJREYCAIBJ-AAEUAGOBSA-N -1 3 317.393 2.633 20 0 DFADHM CC(C)Oc1ccc(N[C@H]2CCO[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000824329358 609490142 /nfs/dbraw/zinc/49/01/42/609490142.db2.gz NEGYUJREYCAIBJ-AAEUAGOBSA-N -1 3 317.393 2.633 20 0 DFADHM C[C@@H](NC(=O)[C@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824506825 609503899 /nfs/dbraw/zinc/50/38/99/609503899.db2.gz QPXYKGATWAOYBT-CHWSQXEVSA-N -1 3 321.384 2.848 20 0 DFADHM C[C@@H](NC(=O)[C@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824506825 609503900 /nfs/dbraw/zinc/50/39/00/609503900.db2.gz QPXYKGATWAOYBT-CHWSQXEVSA-N -1 3 321.384 2.848 20 0 DFADHM C[C@H]1CCC[C@@H]1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824926685 609505763 /nfs/dbraw/zinc/50/57/63/609505763.db2.gz LAGCOOBZJPFMNB-ONGXEEELSA-N -1 3 319.796 2.919 20 0 DFADHM C[C@H]1CCC[C@@H]1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824926685 609505766 /nfs/dbraw/zinc/50/57/66/609505766.db2.gz LAGCOOBZJPFMNB-ONGXEEELSA-N -1 3 319.796 2.919 20 0 DFADHM Fc1cccc(F)c1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826372842 609514912 /nfs/dbraw/zinc/51/49/12/609514912.db2.gz NUZOTULLEOUPRQ-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1cccc(F)c1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826372842 609514914 /nfs/dbraw/zinc/51/49/14/609514914.db2.gz NUZOTULLEOUPRQ-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1cccc(F)c1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000826377609 609514965 /nfs/dbraw/zinc/51/49/65/609514965.db2.gz YQHRNIFSKNNVKG-UHFFFAOYSA-N -1 3 305.313 2.832 20 0 DFADHM Fc1cccc(F)c1CSc1cc(-c2nn[n-]n2)ccn1 ZINC000826377609 609514967 /nfs/dbraw/zinc/51/49/67/609514967.db2.gz YQHRNIFSKNNVKG-UHFFFAOYSA-N -1 3 305.313 2.832 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@@H](C)C[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826237039 609518565 /nfs/dbraw/zinc/51/85/65/609518565.db2.gz LUFSIVDXASGYPW-IUCAKERBSA-N -1 3 306.801 2.706 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@@H](C)C[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826237039 609518567 /nfs/dbraw/zinc/51/85/67/609518567.db2.gz LUFSIVDXASGYPW-IUCAKERBSA-N -1 3 306.801 2.706 20 0 DFADHM Cc1ccnc(NCCCN(C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826313825 609521610 /nfs/dbraw/zinc/52/16/10/609521610.db2.gz VDYWPSUTVBOIJL-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM Cc1ccnc(NCCCN(C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826313825 609521612 /nfs/dbraw/zinc/52/16/12/609521612.db2.gz VDYWPSUTVBOIJL-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM Cc1cccc(OCCOc2ccccc2-c2nnn[n-]2)c1F ZINC000826300451 609524377 /nfs/dbraw/zinc/52/43/77/609524377.db2.gz VSALJCPMSQYUBM-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1cccc(OCCOc2ccccc2-c2nn[n-]n2)c1F ZINC000826300451 609524379 /nfs/dbraw/zinc/52/43/79/609524379.db2.gz VSALJCPMSQYUBM-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@@H](C)CC2)c1-c1nnn[n-]1 ZINC000826237898 609542115 /nfs/dbraw/zinc/54/21/15/609542115.db2.gz PHGSTWBHWMLPPU-SECBINFHSA-N -1 3 306.801 2.850 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@@H](C)CC2)c1-c1nn[n-]n1 ZINC000826237898 609542116 /nfs/dbraw/zinc/54/21/16/609542116.db2.gz PHGSTWBHWMLPPU-SECBINFHSA-N -1 3 306.801 2.850 20 0 DFADHM Cc1csc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)n1 ZINC000826320182 609547925 /nfs/dbraw/zinc/54/79/25/609547925.db2.gz JBWQYCOBSLGPDP-SECBINFHSA-N -1 3 301.379 2.508 20 0 DFADHM Cc1csc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)n1 ZINC000826320182 609547929 /nfs/dbraw/zinc/54/79/29/609547929.db2.gz JBWQYCOBSLGPDP-SECBINFHSA-N -1 3 301.379 2.508 20 0 DFADHM Cc1ccnc(NCc2coc3ccccc23)c1-c1nnn[n-]1 ZINC000826315105 609554925 /nfs/dbraw/zinc/55/49/25/609554925.db2.gz YJIBZBUGBBAVQH-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1ccnc(NCc2coc3ccccc23)c1-c1nn[n-]n1 ZINC000826315105 609554927 /nfs/dbraw/zinc/55/49/27/609554927.db2.gz YJIBZBUGBBAVQH-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1ccnc(NCCc2cc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826314053 609558224 /nfs/dbraw/zinc/55/82/24/609558224.db2.gz DGJJYBDPRXNFTR-UHFFFAOYSA-N -1 3 320.356 2.971 20 0 DFADHM Cc1ccnc(NCCc2cc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826314053 609558227 /nfs/dbraw/zinc/55/82/27/609558227.db2.gz DGJJYBDPRXNFTR-UHFFFAOYSA-N -1 3 320.356 2.971 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825182325 609564777 /nfs/dbraw/zinc/56/47/77/609564777.db2.gz HWKRMILJGMNTKF-WCBMZHEXSA-N -1 3 306.801 2.848 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825182325 609564779 /nfs/dbraw/zinc/56/47/79/609564779.db2.gz HWKRMILJGMNTKF-WCBMZHEXSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1ccnc(N2CC[C@@H]2c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826310567 609564971 /nfs/dbraw/zinc/56/49/71/609564971.db2.gz ZONQVVWARVLIRG-CYBMUJFWSA-N -1 3 310.336 2.661 20 0 DFADHM Cc1ccnc(N2CC[C@@H]2c2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826310567 609564973 /nfs/dbraw/zinc/56/49/73/609564973.db2.gz ZONQVVWARVLIRG-CYBMUJFWSA-N -1 3 310.336 2.661 20 0 DFADHM CCS[C@H]1CCC[C@H]1Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825668938 609567988 /nfs/dbraw/zinc/56/79/88/609567988.db2.gz MMUYSXCEHGMHGG-MNOVXSKESA-N -1 3 304.423 2.656 20 0 DFADHM CCS[C@H]1CCC[C@H]1Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825668938 609567989 /nfs/dbraw/zinc/56/79/89/609567989.db2.gz MMUYSXCEHGMHGG-MNOVXSKESA-N -1 3 304.423 2.656 20 0 DFADHM CCC[C@@H]1[C@H](C)CCCN1c1nccc(C)c1-c1nnn[n-]1 ZINC000825254823 609569882 /nfs/dbraw/zinc/56/98/82/609569882.db2.gz VCSCGSUANPKKLO-DGCLKSJQSA-N -1 3 300.410 2.975 20 0 DFADHM CCC[C@@H]1[C@H](C)CCCN1c1nccc(C)c1-c1nn[n-]n1 ZINC000825254823 609569885 /nfs/dbraw/zinc/56/98/85/609569885.db2.gz VCSCGSUANPKKLO-DGCLKSJQSA-N -1 3 300.410 2.975 20 0 DFADHM Cc1ccccc1CC1CN(c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000826307082 609575357 /nfs/dbraw/zinc/57/53/57/609575357.db2.gz WDCJIKPFHWFDAT-UHFFFAOYSA-N -1 3 320.400 2.557 20 0 DFADHM Cc1ccccc1CC1CN(c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000826307082 609575358 /nfs/dbraw/zinc/57/53/58/609575358.db2.gz WDCJIKPFHWFDAT-UHFFFAOYSA-N -1 3 320.400 2.557 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCC[C@@H]1CCCCO1 ZINC000826371807 609581253 /nfs/dbraw/zinc/58/12/53/609581253.db2.gz UYOZOLRJBKOEIF-JTQLQIEISA-N -1 3 309.320 2.516 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCC[C@@H]1CCCCO1 ZINC000826371807 609581256 /nfs/dbraw/zinc/58/12/56/609581256.db2.gz UYOZOLRJBKOEIF-JTQLQIEISA-N -1 3 309.320 2.516 20 0 DFADHM c1ccc2nc(NCC[C@@H]3CCCCO3)c(-c3nnn[n-]3)cc2c1 ZINC000826524032 609582336 /nfs/dbraw/zinc/58/23/36/609582336.db2.gz GGHMBZKNDFTVHX-ZDUSSCGKSA-N -1 3 324.388 2.786 20 0 DFADHM c1ccc2nc(NCC[C@@H]3CCCCO3)c(-c3nn[n-]n3)cc2c1 ZINC000826524032 609582338 /nfs/dbraw/zinc/58/23/38/609582338.db2.gz GGHMBZKNDFTVHX-ZDUSSCGKSA-N -1 3 324.388 2.786 20 0 DFADHM Cc1c(Cl)cnc(NCC[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826239765 609587012 /nfs/dbraw/zinc/58/70/12/609587012.db2.gz PONOGDSFEBUXSJ-SNVBAGLBSA-N -1 3 322.800 2.595 20 0 DFADHM Cc1c(Cl)cnc(NCC[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826239765 609587015 /nfs/dbraw/zinc/58/70/15/609587015.db2.gz PONOGDSFEBUXSJ-SNVBAGLBSA-N -1 3 322.800 2.595 20 0 DFADHM CCC(C)=C(C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825052147 609591404 /nfs/dbraw/zinc/59/14/04/609591404.db2.gz VCCMTPCAKCSPHN-KTKRTIGZSA-N -1 3 317.397 2.503 20 0 DFADHM CCC(C)=C(C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825052147 609591406 /nfs/dbraw/zinc/59/14/06/609591406.db2.gz VCCMTPCAKCSPHN-KTKRTIGZSA-N -1 3 317.397 2.503 20 0 DFADHM CC/C(C)=C(/C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825052147 609591408 /nfs/dbraw/zinc/59/14/08/609591408.db2.gz VCCMTPCAKCSPHN-KTKRTIGZSA-N -1 3 317.397 2.503 20 0 DFADHM Cc1cc(C)cc([C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC000826264141 609602807 /nfs/dbraw/zinc/60/28/07/609602807.db2.gz DJHDHSLMHGXZQY-AWEZNQCLSA-N -1 3 320.400 2.872 20 0 DFADHM Cc1cc(C)cc([C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC000826264141 609602810 /nfs/dbraw/zinc/60/28/10/609602810.db2.gz DJHDHSLMHGXZQY-AWEZNQCLSA-N -1 3 320.400 2.872 20 0 DFADHM C[C@H]1CC(C(=O)OCc2cccc(-c3nnn[n-]3)c2)C[C@H](C)C1 ZINC000824876191 609640761 /nfs/dbraw/zinc/64/07/61/609640761.db2.gz RBTKNXSZTLSSSA-VXGBXAGGSA-N -1 3 314.389 2.982 20 0 DFADHM C[C@H]1CC(C(=O)OCc2cccc(-c3nn[n-]n3)c2)C[C@H](C)C1 ZINC000824876191 609640764 /nfs/dbraw/zinc/64/07/64/609640764.db2.gz RBTKNXSZTLSSSA-VXGBXAGGSA-N -1 3 314.389 2.982 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825059787 609642326 /nfs/dbraw/zinc/64/23/26/609642326.db2.gz KLZJTEOEIWIAQX-VHSXEESVSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825059787 609642327 /nfs/dbraw/zinc/64/23/27/609642327.db2.gz KLZJTEOEIWIAQX-VHSXEESVSA-N -1 3 306.341 2.731 20 0 DFADHM CC(C)[C@H]1C[C@@H](CC(=O)NCc2ccc([O-])c(F)c2)CCO1 ZINC000272878299 210268115 /nfs/dbraw/zinc/26/81/15/210268115.db2.gz VCLVJJLTQXGMPO-BLLLJJGKSA-N -1 3 309.381 2.989 20 0 DFADHM COc1cc(SC)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000278335562 214097898 /nfs/dbraw/zinc/09/78/98/214097898.db2.gz MQSAIKMMUXRNAD-CYBMUJFWSA-N -1 3 312.391 2.997 20 0 DFADHM COc1cc(SC)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000278335562 214097900 /nfs/dbraw/zinc/09/79/00/214097900.db2.gz MQSAIKMMUXRNAD-CYBMUJFWSA-N -1 3 312.391 2.997 20 0 DFADHM CCOc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1F ZINC000076936393 185058055 /nfs/dbraw/zinc/05/80/55/185058055.db2.gz KQCFKYPHGOKYRO-GFCCVEGCSA-N -1 3 317.382 2.535 20 0 DFADHM Cc1cccc(OCCC[N-]S(=O)(=O)c2ccco2)c1C ZINC000278449519 214162166 /nfs/dbraw/zinc/16/21/66/214162166.db2.gz VYPFRZGHEPXKGQ-UHFFFAOYSA-N -1 3 309.387 2.644 20 0 DFADHM COC(=O)c1cccnc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000412987168 295666358 /nfs/dbraw/zinc/66/63/58/295666358.db2.gz IWUHMKZSZUCQHV-UHFFFAOYSA-N -1 3 317.370 2.534 20 0 DFADHM CCC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])N(C)C ZINC000443575099 297221511 /nfs/dbraw/zinc/22/15/11/297221511.db2.gz NHCJTHRLDRKRGZ-LLVKDONJSA-N -1 3 320.311 2.960 20 0 DFADHM CN1CCC(NC(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000081932277 192341250 /nfs/dbraw/zinc/34/12/50/192341250.db2.gz IKPHSWDRQHQHDP-UHFFFAOYSA-N -1 3 303.189 2.523 20 0 DFADHM COCCCCS(=O)(=O)c1nc(C)c(Cc2ccccc2)[n-]1 ZINC000078807864 185112915 /nfs/dbraw/zinc/11/29/15/185112915.db2.gz GDXYNGSUAWNYLX-UHFFFAOYSA-N -1 3 322.430 2.509 20 0 DFADHM COCCCCS(=O)(=O)c1nc(Cc2ccccc2)c(C)[n-]1 ZINC000078807864 185112916 /nfs/dbraw/zinc/11/29/16/185112916.db2.gz GDXYNGSUAWNYLX-UHFFFAOYSA-N -1 3 322.430 2.509 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@@H](CC(F)(F)F)C2)on1 ZINC000278585583 214257024 /nfs/dbraw/zinc/25/70/24/214257024.db2.gz DABZBGCKTXHWHT-UWVGGRQHSA-N -1 3 305.300 2.584 20 0 DFADHM Cc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1OC(C)C ZINC000278694568 214333093 /nfs/dbraw/zinc/33/30/93/214333093.db2.gz PRXCDJADADEWGA-CYBMUJFWSA-N -1 3 308.378 2.872 20 0 DFADHM COc1cccc(C(=O)N2CCN(CCC(C)(C)C)CC2)c1[O-] ZINC000079262450 185162777 /nfs/dbraw/zinc/16/27/77/185162777.db2.gz DHVLYFFURSLLTN-UHFFFAOYSA-N -1 3 320.433 2.595 20 0 DFADHM Cc1cc(F)cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000079437550 185171422 /nfs/dbraw/zinc/17/14/22/185171422.db2.gz CJLMRHLLLCQGNG-UHFFFAOYSA-N -1 3 322.361 2.758 20 0 DFADHM CSc1ccc(C(=O)N2CC[C@@]3(C2)CCCOC3)c([O-])c1 ZINC000375322227 295675448 /nfs/dbraw/zinc/67/54/48/295675448.db2.gz SBKIIFNCRUYRRU-MRXNPFEDSA-N -1 3 307.415 2.757 20 0 DFADHM COCC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1ccco1 ZINC000278707202 214342960 /nfs/dbraw/zinc/34/29/60/214342960.db2.gz GJLDBBPXSLIKKQ-GFCCVEGCSA-N -1 3 324.327 2.969 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]CCc2cccc(F)c2)c1F ZINC000313216033 231123098 /nfs/dbraw/zinc/12/30/98/231123098.db2.gz JYKBLZRNQVRKDH-UHFFFAOYSA-N -1 3 311.353 2.794 20 0 DFADHM Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[O-] ZINC000318106302 231167742 /nfs/dbraw/zinc/16/77/42/231167742.db2.gz NGVAVPCPSIHMPW-INMHGKMJSA-N -1 3 303.402 2.856 20 0 DFADHM CCn1nc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])c2ccccc21 ZINC000319063702 231179483 /nfs/dbraw/zinc/17/94/83/231179483.db2.gz MCLARDHWESLQOD-BLLLJJGKSA-N -1 3 301.390 2.741 20 0 DFADHM O=C(COC[C@@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458392 398351184 /nfs/dbraw/zinc/35/11/84/398351184.db2.gz OKUMUOCOPRURAF-JTQLQIEISA-N -1 3 319.279 2.545 20 0 DFADHM CCc1cccc(C(=O)NCCc2nc3ccccc3[nH]2)c1[O-] ZINC000081709072 398367330 /nfs/dbraw/zinc/36/73/30/398367330.db2.gz LCVBQZCHBUTPBX-UHFFFAOYSA-N -1 3 309.369 2.803 20 0 DFADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H](CCO)c1ccccc1 ZINC000459341793 299083571 /nfs/dbraw/zinc/08/35/71/299083571.db2.gz FJKCWQRZYJBUBF-INIZCTEOSA-N -1 3 313.401 2.615 20 0 DFADHM [O-]c1cccc(CN(CCCCO)C2CC2)c1Br ZINC000459343271 299083974 /nfs/dbraw/zinc/08/39/74/299083974.db2.gz HOHSCDVTBOQUDZ-UHFFFAOYSA-N -1 3 314.223 2.892 20 0 DFADHM C[C@@H]1CSCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459343714 299084103 /nfs/dbraw/zinc/08/41/03/299084103.db2.gz QPBRMNJRRFSLBW-GFCCVEGCSA-N -1 3 301.415 2.787 20 0 DFADHM CC[C@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000459345574 299084596 /nfs/dbraw/zinc/08/45/96/299084596.db2.gz NRXGUPCOFDCPKB-CJNGLKHVSA-N -1 3 313.401 2.849 20 0 DFADHM CCCCCN(CCO)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459354340 299086849 /nfs/dbraw/zinc/08/68/49/299086849.db2.gz XFXOFDZFLPCHOA-UHFFFAOYSA-N -1 3 315.417 2.834 20 0 DFADHM CCc1cccc(C(=O)NCCCOCC2CCOCC2)c1[O-] ZINC000081959802 398377146 /nfs/dbraw/zinc/37/71/46/398377146.db2.gz BWHWQNREKFBPHG-UHFFFAOYSA-N -1 3 321.417 2.518 20 0 DFADHM COCCN(Cc1ccc(C)o1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459359279 299088000 /nfs/dbraw/zinc/08/80/00/299088000.db2.gz GGQCMOJCYKTIBY-UHFFFAOYSA-N -1 3 317.389 2.610 20 0 DFADHM CC[C@H](C)CON=C([O-])Nc1cc(F)c(OC)cc1OC ZINC000292847512 529670906 /nfs/dbraw/zinc/67/09/06/529670906.db2.gz VIZWSNAHJUISHG-VIFPVBQESA-N -1 3 300.330 2.942 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(F)c(OC)cc1OC ZINC000292847512 529670910 /nfs/dbraw/zinc/67/09/10/529670910.db2.gz VIZWSNAHJUISHG-VIFPVBQESA-N -1 3 300.330 2.942 20 0 DFADHM CC[C@H](C)CON=C([O-])Nc1cc(OC)c(OC)cc1OC ZINC000292793393 529671323 /nfs/dbraw/zinc/67/13/23/529671323.db2.gz VPDIOKQJCKGGPP-JTQLQIEISA-N -1 3 312.366 2.812 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(OC)c(OC)cc1OC ZINC000292793393 529671325 /nfs/dbraw/zinc/67/13/25/529671325.db2.gz VPDIOKQJCKGGPP-JTQLQIEISA-N -1 3 312.366 2.812 20 0 DFADHM O=c1nc(CN2CCC[C@H]2C2CCOCC2)[n-]c2ccsc21 ZINC000329419857 231526585 /nfs/dbraw/zinc/52/65/85/231526585.db2.gz DZXFQCMTUHTTOV-ZDUSSCGKSA-N -1 3 319.430 2.788 20 0 DFADHM O=c1cc(CN2CCOC3(CCC3)C2)nc(-c2ccccc2)[n-]1 ZINC000459376770 299091882 /nfs/dbraw/zinc/09/18/82/299091882.db2.gz SDCJHGBPKXSTPD-UHFFFAOYSA-N -1 3 311.385 2.604 20 0 DFADHM Cc1ccc([O-])c(CN(Cc2ccco2)C[C@@H]2CCCO2)n1 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314.407 2.939 20 0 DFADHM O=C(CCCF)Nc1cc(I)ccc1[O-] ZINC000597440798 398641453 /nfs/dbraw/zinc/64/14/53/398641453.db2.gz GEFUQFUFPQECRK-UHFFFAOYSA-N -1 3 323.105 2.685 20 0 DFADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccc(C)o1)OC ZINC000358600176 535139908 /nfs/dbraw/zinc/13/99/08/535139908.db2.gz NPHHISNDWVUESU-ZDUSSCGKSA-N -1 3 303.424 2.708 20 0 DFADHM C[C@H](CNC(=O)c1cccc([O-])c1)N1CCc2ccccc2C1 ZINC000181896183 186216007 /nfs/dbraw/zinc/21/60/07/186216007.db2.gz GKQCFPYQXDNNJK-CQSZACIVSA-N -1 3 310.397 2.569 20 0 DFADHM COc1cccc(-c2nc(Cc3csc(C)n3)no2)c1[O-] ZINC000111688484 282712674 /nfs/dbraw/zinc/71/26/74/282712674.db2.gz HGGZMHYABVZOLB-UHFFFAOYSA-N -1 3 303.343 2.807 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CCCOC(C)C)sc1Cl ZINC000191826781 186260185 /nfs/dbraw/zinc/26/01/85/186260185.db2.gz KZAZMLJKVOHMGH-UHFFFAOYSA-N -1 3 311.856 2.803 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCO2)sc1Cl ZINC000191874029 186268232 /nfs/dbraw/zinc/26/82/32/186268232.db2.gz MKQPYYQRMNUKAN-BDAKNGLRSA-N -1 3 309.840 2.556 20 0 DFADHM O=C(Cc1c(Cl)cccc1Cl)[N-]OC[C@H]1CCOC1 ZINC000188025562 186245775 /nfs/dbraw/zinc/24/57/75/186245775.db2.gz BOPNXKZVANHRJR-VIFPVBQESA-N -1 3 304.173 2.620 20 0 DFADHM Cc1c([O-])ccc2c(CN3CCO[C@@H]4CCC[C@H]43)cc(=O)oc12 ZINC000265145951 186339517 /nfs/dbraw/zinc/33/95/17/186339517.db2.gz RMETXSAWDAYRRH-GDBMZVCRSA-N -1 3 315.369 2.560 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N(C)C)c2)c1 ZINC000093910813 398650750 /nfs/dbraw/zinc/65/07/50/398650750.db2.gz PZVBQFXAJUFKPZ-UHFFFAOYSA-N -1 3 312.369 2.909 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000116092451 282741726 /nfs/dbraw/zinc/74/17/26/282741726.db2.gz LXHJLYXTNDUBSV-IINYFYTJSA-N -1 3 319.307 2.965 20 0 DFADHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000380848712 398658905 /nfs/dbraw/zinc/65/89/05/398658905.db2.gz OKVOJTZJYZZKDU-MUWHJKNJSA-N -1 3 324.627 2.789 20 0 DFADHM C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000380848714 398659088 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ZINC000417641418 296037610 /nfs/dbraw/zinc/03/76/10/296037610.db2.gz PXEGNHLJBSBBMI-QGZVFWFLSA-N -1 3 315.369 2.625 20 0 DFADHM COc1ccc2nc(CNC[C@H]3CCC[C@H]3C(=O)[O-])sc2c1 ZINC000417648795 296038023 /nfs/dbraw/zinc/03/80/23/296038023.db2.gz PDBOOLHQUJJTQT-ZYHUDNBSSA-N -1 3 320.414 2.895 20 0 DFADHM Cn1c(CNC[C@H]2CCC[C@H]2C(=O)[O-])nc2ccc(Cl)cc21 ZINC000417651369 296038198 /nfs/dbraw/zinc/03/81/98/296038198.db2.gz XFPDVAZWRUFAPQ-ZYHUDNBSSA-N -1 3 321.808 2.817 20 0 DFADHM O=C([N-]c1ccc(F)nc1F)c1csc([C@@H]2CCCO2)n1 ZINC000193713051 201110499 /nfs/dbraw/zinc/11/04/99/201110499.db2.gz SHUDRUITZIYDRE-VIFPVBQESA-N -1 3 311.313 2.920 20 0 DFADHM CN(CCCOc1ccc(F)cc1)C(=O)c1cc(F)c[n-]c1=O ZINC000621565782 398976374 /nfs/dbraw/zinc/97/63/74/398976374.db2.gz MZBGJVSSTJMTKN-UHFFFAOYSA-N -1 3 322.311 2.607 20 0 DFADHM O=C(NCCCCCCO)c1cc([O-])ccc1C(F)(F)F ZINC000193756753 201118852 /nfs/dbraw/zinc/11/88/52/201118852.db2.gz CVJGURJOAARTMD-UHFFFAOYSA-N -1 3 305.296 2.694 20 0 DFADHM Cc1ccc(CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1C ZINC000417666807 296039445 /nfs/dbraw/zinc/03/94/45/296039445.db2.gz SBVRSJYIDYTHJU-AWEZNQCLSA-N -1 3 307.390 2.578 20 0 DFADHM CCOC[C@@H](NCc1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000417664894 296039513 /nfs/dbraw/zinc/03/95/13/296039513.db2.gz ZJSRVRHOBPNNLY-SNVBAGLBSA-N -1 3 323.723 2.521 20 0 DFADHM CO[C@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC[C@@H]1C ZINC000194166361 201190190 /nfs/dbraw/zinc/19/01/90/201190190.db2.gz CXZLPAFEQIADQB-ZANVPECISA-N -1 3 317.307 2.908 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCCC1 ZINC000286999288 299331327 /nfs/dbraw/zinc/33/13/27/299331327.db2.gz UBDGJTIEZBVGME-VIFPVBQESA-N -1 3 322.352 2.957 20 0 DFADHM Cc1ccc(NC(=O)C(=O)[N-]c2nccn2-c2ccccc2)cc1 ZINC000194708624 201275071 /nfs/dbraw/zinc/27/50/71/201275071.db2.gz IJWGUIYCIPMQEU-UHFFFAOYSA-N -1 3 320.352 2.758 20 0 DFADHM O=S(=O)([N-]CC1CCOCC1)c1c(Cl)cccc1Cl ZINC000195013495 201327190 /nfs/dbraw/zinc/32/71/90/201327190.db2.gz 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CCCc1nc(CSCc2cc(=O)[n-]c(C3CC3)n2)no1 ZINC000419386143 296138862 /nfs/dbraw/zinc/13/88/62/296138862.db2.gz BGBSHVJONIKNCO-UHFFFAOYSA-N -1 3 306.391 2.829 20 0 DFADHM CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000682016692 545775019 /nfs/dbraw/zinc/77/50/19/545775019.db2.gz JVAFNQPVRXQYTI-CQSZACIVSA-N -1 3 317.307 2.884 20 0 DFADHM CN(C[C@@H]1CCOC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621902302 399115170 /nfs/dbraw/zinc/11/51/70/399115170.db2.gz BWUYUGROAWUUFE-VIFPVBQESA-N -1 3 303.280 2.520 20 0 DFADHM O=C(C[C@H]1CCOC1)Nc1ccc(Br)cc1[O-] ZINC000606832315 399115738 /nfs/dbraw/zinc/11/57/38/399115738.db2.gz YYPUMEJUKXVYJY-MRVPVSSYSA-N -1 3 300.152 2.520 20 0 DFADHM CC[C@H](O)CCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621907017 399117236 /nfs/dbraw/zinc/11/72/36/399117236.db2.gz FCFQPWWZWBVWDX-NSHDSACASA-N -1 3 305.296 2.692 20 0 DFADHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621912148 399120089 /nfs/dbraw/zinc/12/00/89/399120089.db2.gz ARXHNPHPUAQLAE-ZJUUUORDSA-N 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/nfs/dbraw/zinc/28/09/41/193280941.db2.gz YMJVOCCSXUZKDJ-CQSZACIVSA-N -1 3 312.207 2.766 20 0 DFADHM Cc1cc(C(=O)Nc2c[nH]nc2C(=O)OC(C)(C)C)ccc1[O-] ZINC000600051009 399127405 /nfs/dbraw/zinc/12/74/05/399127405.db2.gz OXCARPGMKNUSMC-UHFFFAOYSA-N -1 3 317.345 2.631 20 0 DFADHM COC(=O)c1c(C)[nH]c(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000340328630 284174904 /nfs/dbraw/zinc/17/49/04/284174904.db2.gz BPQJELXZPIMYIJ-UHFFFAOYSA-N -1 3 306.293 2.515 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2ncon2)c1 ZINC000094160976 193347245 /nfs/dbraw/zinc/34/72/45/193347245.db2.gz QORCYYGLOKBVIZ-ZDUSSCGKSA-N -1 3 301.346 2.705 20 0 DFADHM O=C(CC[C@H]1Cc2ccccc2NC1=O)[N-]OC1CCCC1 ZINC000271747516 209179392 /nfs/dbraw/zinc/17/93/92/209179392.db2.gz JWZUZYDWCIZRCQ-ZDUSSCGKSA-N -1 3 302.374 2.568 20 0 DFADHM CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])[C@H](C)O ZINC000420019485 296154972 /nfs/dbraw/zinc/15/49/72/296154972.db2.gz RAOXJDGLJVEYBP-CBAPKCEASA-N -1 3 307.268 2.636 20 0 DFADHM CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c(C)cccc1[O-] ZINC000600080652 399131830 /nfs/dbraw/zinc/13/18/30/399131830.db2.gz GACCVOVYZXOKSR-GFCCVEGCSA-N -1 3 307.390 2.893 20 0 DFADHM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621939875 399133580 /nfs/dbraw/zinc/13/35/80/399133580.db2.gz SQKLJQJLKVVELD-VHSXEESVSA-N -1 3 316.323 2.576 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000618502305 399136164 /nfs/dbraw/zinc/13/61/64/399136164.db2.gz DQOWJSKIWXCFQH-DYEKYZERSA-N -1 3 302.374 2.517 20 0 DFADHM CO[C@H]1CCC[C@H]1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621943278 399136434 /nfs/dbraw/zinc/13/64/34/399136434.db2.gz XXSOESZITHTHSC-ZANVPECISA-N -1 3 317.307 2.956 20 0 DFADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(F)c[n-]c1=O ZINC000621947910 399138992 /nfs/dbraw/zinc/13/89/92/399138992.db2.gz KJAZKNIQZDIUEA-JGVFFNPUSA-N -1 3 306.259 2.729 20 0 DFADHM C[C@H]1OCC[C@]1(C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621951158 399139514 /nfs/dbraw/zinc/13/95/14/399139514.db2.gz PJKJCWATCDFETI-OQPBUACISA-N -1 3 303.280 2.708 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000341147255 284242714 /nfs/dbraw/zinc/24/27/14/284242714.db2.gz YVRKBXPCTBERFY-WMZOPIPTSA-N -1 3 301.386 2.738 20 0 DFADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccncc2C)cc1 ZINC000264828709 204189991 /nfs/dbraw/zinc/18/99/91/204189991.db2.gz DVLUPTJOFLIUQA-UHFFFAOYSA-N -1 3 306.387 2.980 20 0 DFADHM Cc1cccc([O-])c1C(=O)Nc1cc(CSCCO)ccn1 ZINC000600821892 399155545 /nfs/dbraw/zinc/15/55/45/399155545.db2.gz PXERAJVQWTWIKT-UHFFFAOYSA-N -1 3 318.398 2.573 20 0 DFADHM O=C(N[C@H](CO)CC1CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621986868 399157415 /nfs/dbraw/zinc/15/74/15/399157415.db2.gz BOCKSPUBNPCGJW-LBPRGKRZSA-N -1 3 317.307 2.692 20 0 DFADHM CSc1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)[n-]1 ZINC000264975998 204317343 /nfs/dbraw/zinc/31/73/43/204317343.db2.gz HPPLZROOLNEFDX-RKDXNWHRSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)n1 ZINC000264975998 204317345 /nfs/dbraw/zinc/31/73/45/204317345.db2.gz HPPLZROOLNEFDX-RKDXNWHRSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)n[n-]1 ZINC000264975998 204317349 /nfs/dbraw/zinc/31/73/49/204317349.db2.gz HPPLZROOLNEFDX-RKDXNWHRSA-N -1 3 310.329 2.547 20 0 DFADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000264956053 204300126 /nfs/dbraw/zinc/30/01/26/204300126.db2.gz WKICHKKTBRNYQC-VIFPVBQESA-N -1 3 324.306 2.957 20 0 DFADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000264956053 204300128 /nfs/dbraw/zinc/30/01/28/204300128.db2.gz WKICHKKTBRNYQC-VIFPVBQESA-N -1 3 324.306 2.957 20 0 DFADHM CCC(CC)([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(N)=O ZINC000265094649 204392467 /nfs/dbraw/zinc/39/24/67/204392467.db2.gz QQRIGUJCTVJLKW-UHFFFAOYSA-N -1 3 318.751 2.592 20 0 DFADHM O=C([N-]c1cc(F)c(F)cc1F)c1cn(-c2ccccc2)nn1 ZINC000354988579 284280368 /nfs/dbraw/zinc/28/03/68/284280368.db2.gz ZDUGDJYDCSLANV-UHFFFAOYSA-N -1 3 318.258 2.937 20 0 DFADHM CC(C)CCS(=O)(=O)[N-][C@H]1COc2cccc(Cl)c21 ZINC000341886544 284282723 /nfs/dbraw/zinc/28/27/23/284282723.db2.gz BSGHDUFLNINGRG-NSHDSACASA-N -1 3 303.811 2.739 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)c1ccco1 ZINC000288221895 220028074 /nfs/dbraw/zinc/02/80/74/220028074.db2.gz DVGWAIIEDPBXIN-HNNXBMFYSA-N -1 3 323.414 2.704 20 0 DFADHM CN(Cc1csc2ccccc12)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000341926985 284292746 /nfs/dbraw/zinc/29/27/46/284292746.db2.gz JTXOTGPRRVVPKA-UHFFFAOYSA-N -1 3 310.386 2.568 20 0 DFADHM O=C(c1cccc([O-])c1)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000341949276 284298929 /nfs/dbraw/zinc/29/89/29/284298929.db2.gz TVTJXUBKXVCRTR-UHFFFAOYSA-N -1 3 305.337 2.734 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@@H]3CCC[C@@H](C)O3)ccc2[n-]1 ZINC000618590700 399173830 /nfs/dbraw/zinc/17/38/30/399173830.db2.gz QPMYNQKUPURPME-YPMHNXCESA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@@H]3CCC[C@@H](C)O3)cc2[n-]1 ZINC000618590700 399173837 /nfs/dbraw/zinc/17/38/37/399173837.db2.gz QPMYNQKUPURPME-YPMHNXCESA-N -1 3 317.389 2.649 20 0 DFADHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000622043221 399174927 /nfs/dbraw/zinc/17/49/27/399174927.db2.gz VQKNCTQCRXFQDT-MRVPVSSYSA-N -1 3 317.823 2.539 20 0 DFADHM CCc1nc(C)c(C(=O)[N-]c2nnc(-c3ccccn3)s2)o1 ZINC000342046362 284315075 /nfs/dbraw/zinc/31/50/75/284315075.db2.gz SNZGRZAEXJLFFV-UHFFFAOYSA-N -1 3 315.358 2.711 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2nc(C(C)(C)C)no2)n1 ZINC000192782886 399175315 /nfs/dbraw/zinc/17/53/15/399175315.db2.gz IVQOIAZRAXVCKQ-UWVGGRQHSA-N -1 3 305.382 2.583 20 0 DFADHM O=c1cc(C[S@@](=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)nc(C2CC2)[n-]1 ZINC000600919151 399175615 /nfs/dbraw/zinc/17/56/15/399175615.db2.gz TYNANZHTKZMVKK-MKVQUJBNSA-N -1 3 306.431 2.745 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000063108315 399177420 /nfs/dbraw/zinc/17/74/20/399177420.db2.gz LXLGMQNGVVJEAF-ZBFHGGJFSA-N -1 3 310.353 2.637 20 0 DFADHM O=C([N-]c1nnc(C(F)F)s1)c1cc2nc[nH]c2cc1F ZINC000342091120 284324818 /nfs/dbraw/zinc/32/48/18/284324818.db2.gz DKZCKSNANKCXPE-UHFFFAOYSA-N -1 3 313.264 2.743 20 0 DFADHM Cc1ccc([C@H]2CCCN2Cc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000618610328 399181047 /nfs/dbraw/zinc/18/10/47/399181047.db2.gz ABEBWLGIZRCGCT-OAHLLOKOSA-N -1 3 323.400 2.714 20 0 DFADHM CSc1ccc(C)c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000271718554 209152472 /nfs/dbraw/zinc/15/24/72/209152472.db2.gz JHGFYQXIUCFKSJ-LLVKDONJSA-N -1 3 301.433 2.638 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(F)c2ccccc2c1 ZINC000342460397 284332786 /nfs/dbraw/zinc/33/27/86/284332786.db2.gz DHIMLXKZZHTTDT-UHFFFAOYSA-N -1 3 313.288 2.741 20 0 DFADHM CC1(C)CN(C(=O)c2cc(F)c[n-]c2=O)[C@@H]1c1ccncc1 ZINC000622065812 399183265 /nfs/dbraw/zinc/18/32/65/399183265.db2.gz BEOUEEKCJDZLQV-CYBMUJFWSA-N -1 3 301.321 2.545 20 0 DFADHM COC[C@@]1(C)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622075388 399186554 /nfs/dbraw/zinc/18/65/54/399186554.db2.gz ZYFQULVKYXHCHD-AWEZNQCLSA-N -1 3 317.307 2.910 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)Cc1ccon1)c1ccc(Cl)s1 ZINC000266127373 205119331 /nfs/dbraw/zinc/11/93/31/205119331.db2.gz FITWUVKRAXRCAN-SECBINFHSA-N -1 3 320.823 2.960 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H](O)C12CCCC2 ZINC000294342806 296189919 /nfs/dbraw/zinc/18/99/19/296189919.db2.gz WZABRXBCZVYYBC-KRWDZBQOSA-N -1 3 315.413 2.791 20 0 DFADHM CCC[C@@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)OC ZINC000622072525 399186993 /nfs/dbraw/zinc/18/69/93/399186993.db2.gz QHUVVJLHZGXORC-LBPRGKRZSA-N -1 3 305.296 2.956 20 0 DFADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000607706308 399188053 /nfs/dbraw/zinc/18/80/53/399188053.db2.gz ROQNIVHBFRIBIE-PXNSSMCTSA-N -1 3 318.376 2.988 20 0 DFADHM O=C(N[C@H]1CCO[C@@H](c2cccs2)C1)c1cc(F)c[n-]c1=O ZINC000622093844 399192219 /nfs/dbraw/zinc/19/22/19/399192219.db2.gz YHJBLSQAZFJXFJ-CMPLNLGQSA-N -1 3 322.361 2.638 20 0 DFADHM CCc1cc([N-]C(=O)c2cc(-c3ccccn3)no2)nc(C)n1 ZINC000080937708 399190764 /nfs/dbraw/zinc/19/07/64/399190764.db2.gz NLRPVANJBGNPNA-UHFFFAOYSA-N -1 3 309.329 2.650 20 0 DFADHM CN(C)[C@@H](CNc1ncccc1C(=O)[O-])c1cccc(F)c1 ZINC000614259479 399190942 /nfs/dbraw/zinc/19/09/42/399190942.db2.gz PEHRRFFEYYMSNK-AWEZNQCLSA-N -1 3 303.337 2.634 20 0 DFADHM COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2ncccc2[O-])cc1 ZINC000614255718 399191413 /nfs/dbraw/zinc/19/14/13/399191413.db2.gz URGRVODFMGYXOV-ZFWWWQNUSA-N -1 3 312.369 2.606 20 0 DFADHM COc1cc(NC([O-])=NOC2CCCC2)cc(OC)c1OC ZINC000271789661 209217106 /nfs/dbraw/zinc/21/71/06/209217106.db2.gz JXLVAEQHFMDQRR-UHFFFAOYSA-N -1 3 310.350 2.708 20 0 DFADHM COc1cc(NC(=O)[N-]OC2CCCC2)cc(OC)c1OC ZINC000271789661 209217114 /nfs/dbraw/zinc/21/71/14/209217114.db2.gz JXLVAEQHFMDQRR-UHFFFAOYSA-N -1 3 310.350 2.708 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCOC1 ZINC000266220303 205193473 /nfs/dbraw/zinc/19/34/73/205193473.db2.gz RZSUBXTXGUBSEW-RKDXNWHRSA-N -1 3 324.229 2.697 20 0 DFADHM 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ZINC000352511480 286393827 /nfs/dbraw/zinc/39/38/27/286393827.db2.gz YEZNZFFCLLJXHU-UHFFFAOYSA-N -1 3 306.749 2.769 20 0 DFADHM C[C@H](CCc1cccc(F)c1)C(=O)NCc1ncccc1[O-] ZINC000352514400 286394543 /nfs/dbraw/zinc/39/45/43/286394543.db2.gz APLYICNWWQQMML-GFCCVEGCSA-N -1 3 302.349 2.811 20 0 DFADHM C[C@H](CC(=O)NCc1ncccc1[O-])Cc1cccc(F)c1 ZINC000352516105 286394684 /nfs/dbraw/zinc/39/46/84/286394684.db2.gz JUVQJUWLQQGPGX-LBPRGKRZSA-N -1 3 302.349 2.811 20 0 DFADHM CC(C)(C)O[C@@H](C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352516806 286394968 /nfs/dbraw/zinc/39/49/68/286394968.db2.gz MZGRBLIEBJDQQZ-MRXNPFEDSA-N -1 3 314.385 2.960 20 0 DFADHM CC(C)c1ccc(OCCC(=O)NCc2ncccc2[O-])cc1 ZINC000352517484 286395162 /nfs/dbraw/zinc/39/51/62/286395162.db2.gz PQPUAXLVBKRSRN-UHFFFAOYSA-N -1 3 314.385 2.996 20 0 DFADHM Cc1c(Br)cccc1C(=O)NCc1ncccc1[O-] ZINC000352517562 286395386 /nfs/dbraw/zinc/39/53/86/286395386.db2.gz QQXPCALTVFCLGM-UHFFFAOYSA-N -1 3 321.174 2.788 20 0 DFADHM CCOc1c(Cl)cccc1CC(=O)NCc1ncccc1[O-] ZINC000352518243 286395715 /nfs/dbraw/zinc/39/57/15/286395715.db2.gz WBMIXASWCBAYDL-UHFFFAOYSA-N -1 3 320.776 2.698 20 0 DFADHM O=C(COc1cccc2ccccc21)NCc1ncccc1[O-] ZINC000352518854 286395983 /nfs/dbraw/zinc/39/59/83/286395983.db2.gz ZYUMQUCYOMRAAS-UHFFFAOYSA-N -1 3 308.337 2.636 20 0 DFADHM COc1cc(C(=O)NCc2ccc3ncccc3c2)ccc1[O-] ZINC000352523202 286397269 /nfs/dbraw/zinc/39/72/69/286397269.db2.gz KUGRCDHWHXPKID-UHFFFAOYSA-N -1 3 308.337 2.879 20 0 DFADHM CC[C@@H](C(=O)NCc1ncccc1[O-])c1ccc(OC)cc1 ZINC000352505869 286391638 /nfs/dbraw/zinc/39/16/38/286391638.db2.gz CAULAQOTBONKFX-CQSZACIVSA-N -1 3 300.358 2.606 20 0 DFADHM CCC(CC)n1nc(C(=O)NCc2ncccc2[O-])cc1C ZINC000352505883 286391745 /nfs/dbraw/zinc/39/17/45/286391745.db2.gz CDPMSDSAJRZTBD-UHFFFAOYSA-N -1 3 302.378 2.583 20 0 DFADHM O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ncccc1[O-] ZINC000352506614 286391862 /nfs/dbraw/zinc/39/18/62/286391862.db2.gz HQUFMPPBPPKMBI-UHFFFAOYSA-N -1 3 310.275 2.665 20 0 DFADHM 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DFADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccc(F)cc2Cl)o1 ZINC000353348074 286619628 /nfs/dbraw/zinc/61/96/28/286619628.db2.gz OUHBFFBIVZEAGY-UHFFFAOYSA-N -1 3 317.725 2.728 20 0 DFADHM Cn1cnnc1[N-]C(=O)COc1ccc(Cl)c2ccccc12 ZINC000429475941 296746410 /nfs/dbraw/zinc/74/64/10/296746410.db2.gz UDBVVZIKKGIWCU-UHFFFAOYSA-N -1 3 316.748 2.639 20 0 DFADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000182083555 158002500 /nfs/dbraw/zinc/00/25/00/158002500.db2.gz NLHIADOBBQTKBG-SMDDNHRTSA-N -1 3 316.405 2.715 20 0 DFADHM CN(C)[C@H](CNC(=O)c1cccc([O-])c1)c1c(F)cccc1F ZINC000182452297 158002882 /nfs/dbraw/zinc/00/28/82/158002882.db2.gz ZIBMNGLBSUJAOU-OAHLLOKOSA-N -1 3 320.339 2.703 20 0 DFADHM CCc1nc(-c2ccccc2NC(=O)c2cccc([O-])c2)n[nH]1 ZINC000182907345 158010292 /nfs/dbraw/zinc/01/02/92/158010292.db2.gz CZBNSFJLHOAQIY-UHFFFAOYSA-N -1 3 308.341 2.992 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1csc(-c2cnccn2)n1 ZINC000183081133 158011835 /nfs/dbraw/zinc/01/18/35/158011835.db2.gz 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CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccsc2)c1 ZINC000669919728 544008003 /nfs/dbraw/zinc/00/80/03/544008003.db2.gz YZGRZBOZIPOHDY-VIFPVBQESA-N -1 3 304.371 2.903 20 0 DFADHM Cc1ncc(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)c(=O)[n-]1 ZINC000671793996 544112648 /nfs/dbraw/zinc/11/26/48/544112648.db2.gz JYFLDMBOEYFRHN-NWANDNLSSA-N -1 3 303.406 2.713 20 0 DFADHM O=S(=O)([N-][C@@H]1CCCC1(F)F)c1c[nH]c2cccc(F)c21 ZINC000672431364 544137749 /nfs/dbraw/zinc/13/77/49/544137749.db2.gz YHYQJXUHYUAYSB-LLVKDONJSA-N -1 3 318.320 2.773 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(C)c1F ZINC000672430813 544137811 /nfs/dbraw/zinc/13/78/11/544137811.db2.gz HFOAMEPTOKHTST-NSHDSACASA-N -1 3 323.336 2.609 20 0 DFADHM CCC[C@H](C)CC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673504620 544182777 /nfs/dbraw/zinc/18/27/77/544182777.db2.gz RTUYRKWNLBAMOC-YNEHKIRRSA-N -1 3 321.421 2.693 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@@H]2C[C@@H]21 ZINC000673280181 544174618 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CC[C@]1(C)C[C@H]1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000162461039 426065270 /nfs/dbraw/zinc/06/52/70/426065270.db2.gz OAZTVQSOWXMPBP-MGPLVRAMSA-N -1 3 301.346 2.724 20 0 DFADHM CCCCCc1nnc([N-]C(=O)c2c(C)nn(C)c2OC)s1 ZINC000112276960 426069749 /nfs/dbraw/zinc/06/97/49/426069749.db2.gz PGKILMUDAKNSGU-UHFFFAOYSA-N -1 3 323.422 2.574 20 0 DFADHM Cc1cccc(C)c1NC(=O)C[S@@](=O)c1ccc([O-])cc1 ZINC000108083369 426009492 /nfs/dbraw/zinc/00/94/92/426009492.db2.gz OWMKUIGNALENTH-NRFANRHFSA-N -1 3 303.383 2.755 20 0 DFADHM Cc1ccc(NC(=O)C[S@@](=O)c2ccc([O-])cc2)c(C)c1 ZINC000108085134 426009793 /nfs/dbraw/zinc/00/97/93/426009793.db2.gz HFCQRYQGGXUOLK-NRFANRHFSA-N -1 3 303.383 2.755 20 0 DFADHM Cc1cccc(NC(=O)[C@@H](C)[S@@](=O)c2ccc([O-])cc2)c1 ZINC000108085947 426009993 /nfs/dbraw/zinc/00/99/93/426009993.db2.gz WGAUGZCRQYNMBZ-GTJPDFRWSA-N -1 3 303.383 2.835 20 0 DFADHM Cc1cccc(NC(=O)C[S@@](=O)c2ccc([O-])cc2)c1C ZINC000108085740 426010122 /nfs/dbraw/zinc/01/01/22/426010122.db2.gz 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O=C(CNC(=O)c1cccc(Cl)c1)Nc1cccc([O-])c1F ZINC000128711599 426130178 /nfs/dbraw/zinc/13/01/78/426130178.db2.gz FXWYIUQEJOLNFX-UHFFFAOYSA-N -1 3 322.723 2.553 20 0 DFADHM CCc1cc2c(CN3[C@H](C)COC[C@H]3C)cc(=O)oc2cc1[O-] ZINC000077370312 426130467 /nfs/dbraw/zinc/13/04/67/426130467.db2.gz YXNDKDWQGSDZCT-VXGBXAGGSA-N -1 3 317.385 2.670 20 0 DFADHM Cc1nc(NC([O-])=NOCC(C)C)ccc1Br ZINC000128726964 426130622 /nfs/dbraw/zinc/13/06/22/426130622.db2.gz PHRRQJDZAJOFIU-UHFFFAOYSA-N -1 3 302.172 2.862 20 0 DFADHM Cc1nc(NC(=O)[N-]OCC(C)C)ccc1Br ZINC000128726964 426130625 /nfs/dbraw/zinc/13/06/25/426130625.db2.gz PHRRQJDZAJOFIU-UHFFFAOYSA-N -1 3 302.172 2.862 20 0 DFADHM O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000114394121 426133487 /nfs/dbraw/zinc/13/34/87/426133487.db2.gz DAIKGLBQWQGQSD-UHFFFAOYSA-N -1 3 320.312 2.707 20 0 DFADHM COc1cccc(OC)c1CC(=O)Nc1cccc([O-])c1F ZINC000128904782 426137297 /nfs/dbraw/zinc/13/72/97/426137297.db2.gz YTYFOHDTGPOQHT-UHFFFAOYSA-N -1 3 305.305 2.730 20 0 DFADHM COc1cccc2[nH]cc(CC(=O)[N-]OCCC(F)(F)F)c21 ZINC000162688974 426072980 /nfs/dbraw/zinc/07/29/80/426072980.db2.gz UASGRETVTMLKFO-UHFFFAOYSA-N -1 3 316.279 2.719 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000075437787 426073133 /nfs/dbraw/zinc/07/31/33/426073133.db2.gz HGMIKAIIBTWVMG-LLVKDONJSA-N -1 3 315.417 2.666 20 0 DFADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(OC)cc2[O-])C1(C)C ZINC000127668016 426079163 /nfs/dbraw/zinc/07/91/63/426079163.db2.gz MPMAFPIPCKPZKF-CABCVRRESA-N -1 3 307.390 2.676 20 0 DFADHM Cc1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c([O-])c1 ZINC000162853982 426080094 /nfs/dbraw/zinc/08/00/94/426080094.db2.gz SDGMVWMMSGVECF-UHFFFAOYSA-N -1 3 310.353 2.845 20 0 DFADHM CC(C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112625625 426084561 /nfs/dbraw/zinc/08/45/61/426084561.db2.gz NLJRWFOWOFUIAM-UHFFFAOYSA-N -1 3 323.190 2.676 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CCOC[C@@H]2CCCO2)c1[O-] ZINC000116980289 426203416 /nfs/dbraw/zinc/20/34/16/426203416.db2.gz 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ZINC000078396379 426168696 /nfs/dbraw/zinc/16/86/96/426168696.db2.gz HWRSVCFITHJCEQ-UHFFFAOYSA-N -1 3 301.342 2.600 20 0 DFADHM O=C([N-]c1nnc(C(F)F)s1)c1cc2c(s1)CCOC2 ZINC000171160551 426173193 /nfs/dbraw/zinc/17/31/93/426173193.db2.gz RMWFKDKPIFQYHN-UHFFFAOYSA-N -1 3 317.342 2.862 20 0 DFADHM Cc1cccc(C(=O)N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)c1[O-] ZINC000116050878 426177469 /nfs/dbraw/zinc/17/74/69/426177469.db2.gz RILBXSMPKCCSIF-KGLIPLIRSA-N -1 3 318.417 2.514 20 0 DFADHM CCOc1cc(CN(C)CCOC)cc(Br)c1[O-] ZINC000133460775 426178387 /nfs/dbraw/zinc/17/83/87/426178387.db2.gz SROVBDAPWOZCHS-UHFFFAOYSA-N -1 3 318.211 2.632 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)c1 ZINC000116056936 426178475 /nfs/dbraw/zinc/17/84/75/426178475.db2.gz KBVLTLDCSMQIRF-ZIAGYGMSSA-N -1 3 318.417 2.514 20 0 DFADHM CC(C)c1cc(Br)ccc1NC(=O)c1cnn[n-]1 ZINC000133476625 426178980 /nfs/dbraw/zinc/17/89/80/426178980.db2.gz GXAVFJCBBFHVIJ-UHFFFAOYSA-N -1 3 309.167 2.943 20 0 DFADHM CC(C)c1cc(Br)ccc1NC(=O)c1c[n-]nn1 ZINC000133476625 426178983 /nfs/dbraw/zinc/17/89/83/426178983.db2.gz GXAVFJCBBFHVIJ-UHFFFAOYSA-N -1 3 309.167 2.943 20 0 DFADHM CC(C)c1cc(Br)ccc1NC(=O)c1cn[n-]n1 ZINC000133476625 426178986 /nfs/dbraw/zinc/17/89/86/426178986.db2.gz GXAVFJCBBFHVIJ-UHFFFAOYSA-N -1 3 309.167 2.943 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1cccc(F)c1F)c1nccs1 ZINC000116376687 426187317 /nfs/dbraw/zinc/18/73/17/426187317.db2.gz LKDJPCXBRHXVEW-UHFFFAOYSA-N -1 3 318.370 2.635 20 0 DFADHM O=C(NC[C@H]1[C@@H]2c3ccccc3CC[C@H]12)c1ccc2n[n-]nc2c1 ZINC000134655321 426191212 /nfs/dbraw/zinc/19/12/12/426191212.db2.gz KFVWYJONXFJJRI-IIDMSEBBSA-N -1 3 318.380 2.664 20 0 DFADHM CSc1nsc([N-]C(=O)c2cncc(OC(C)C)c2)n1 ZINC000134726210 426192425 /nfs/dbraw/zinc/19/24/25/426192425.db2.gz YYDDZIQIXVZTBM-UHFFFAOYSA-N -1 3 310.404 2.695 20 0 DFADHM CCCCc1nc(CSc2n[n-]c(-c3ccccn3)n2)no1 ZINC000117112684 426206442 /nfs/dbraw/zinc/20/64/42/426206442.db2.gz BRYFQSHEGQKJNZ-UHFFFAOYSA-N -1 3 316.390 2.885 20 0 DFADHM Cc1nc([N-]C(=O)c2csc(-c3c(F)cccc3F)n2)n[nH]1 ZINC000171551394 426194454 /nfs/dbraw/zinc/19/44/54/426194454.db2.gz RIFAYSXFODYJJI-UHFFFAOYSA-N -1 3 321.312 2.767 20 0 DFADHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000081037203 426217893 /nfs/dbraw/zinc/21/78/93/426217893.db2.gz PNPOSXDRGBIYME-SSDOTTSWSA-N -1 3 312.254 2.896 20 0 DFADHM CC(=O)c1csc([N-]C(=O)c2occc2Br)n1 ZINC000080971886 426218339 /nfs/dbraw/zinc/21/83/39/426218339.db2.gz VTIIGUNVLFPLTF-UHFFFAOYSA-N -1 3 315.148 2.954 20 0 DFADHM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cccc2nn[n-]c21 ZINC000119261611 426273883 /nfs/dbraw/zinc/27/38/83/426273883.db2.gz VTIOAGVSOLBZPF-BBRMVZONSA-N -1 3 322.368 2.608 20 0 DFADHM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cccc2[n-]nnc21 ZINC000119261611 426273886 /nfs/dbraw/zinc/27/38/86/426273886.db2.gz VTIOAGVSOLBZPF-BBRMVZONSA-N -1 3 322.368 2.608 20 0 DFADHM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cccc2n[n-]nc21 ZINC000119261611 426273888 /nfs/dbraw/zinc/27/38/88/426273888.db2.gz VTIOAGVSOLBZPF-BBRMVZONSA-N -1 3 322.368 2.608 20 0 DFADHM O=C(NCc1ccccc1OC1CCC1)c1ccc(O)cc1[O-] ZINC000118266237 426231208 /nfs/dbraw/zinc/23/12/08/426231208.db2.gz QIESNINBFPTSEP-UHFFFAOYSA-N -1 3 313.353 2.959 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CSc2ccccc21 ZINC000118329611 426232662 /nfs/dbraw/zinc/23/26/62/426232662.db2.gz OCYUBJKGODHVLV-SNVBAGLBSA-N -1 3 312.354 2.893 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CSc2ccccc21 ZINC000118329611 426232664 /nfs/dbraw/zinc/23/26/64/426232664.db2.gz OCYUBJKGODHVLV-SNVBAGLBSA-N -1 3 312.354 2.893 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CSc2ccccc21 ZINC000118329611 426232666 /nfs/dbraw/zinc/23/26/66/426232666.db2.gz OCYUBJKGODHVLV-SNVBAGLBSA-N -1 3 312.354 2.893 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc2c(c1)OCCO2 ZINC000136045302 426233401 /nfs/dbraw/zinc/23/34/01/426233401.db2.gz PFHCQIPUTYBSTD-UHFFFAOYSA-N -1 3 319.744 2.998 20 0 DFADHM COc1ccc(CCNC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000136067880 426234209 /nfs/dbraw/zinc/23/42/09/426234209.db2.gz HLBRCPCLKQASRF-UHFFFAOYSA-N -1 3 319.788 2.956 20 0 DFADHM CC(C)c1nnc(CO[N-]C(=O)CCCc2ccccc2)o1 ZINC000136643832 426244042 /nfs/dbraw/zinc/24/40/42/426244042.db2.gz ALXSXIPSXNXRIW-UHFFFAOYSA-N -1 3 303.362 2.764 20 0 DFADHM Cc1ncc(C[N-]S(=O)(=O)c2cc3ccccc3o2)s1 ZINC000084937042 426247325 /nfs/dbraw/zinc/24/73/25/426247325.db2.gz IZBZXXMFIBYEMA-UHFFFAOYSA-N -1 3 308.384 2.676 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N(C[C@H]1CCCO1)C1CCCC1 ZINC000174535695 426259572 /nfs/dbraw/zinc/25/95/72/426259572.db2.gz QLSZFZLEEPUEEE-CQSZACIVSA-N -1 3 305.374 2.662 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N(Cc1ccccc1)CC(F)F ZINC000174633138 426261418 /nfs/dbraw/zinc/26/14/18/426261418.db2.gz YYQVMKUWXNNNLQ-UHFFFAOYSA-N -1 3 316.311 2.865 20 0 DFADHM CC(C)n1[n-]cc/c1=N\C(=O)N(C)CCOCc1ccccc1 ZINC000150864646 426264587 /nfs/dbraw/zinc/26/45/87/426264587.db2.gz JXQNFCXYWLETRX-KNTRCKAVSA-N -1 3 316.405 2.566 20 0 DFADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000119164493 426267399 /nfs/dbraw/zinc/26/73/99/426267399.db2.gz GRXMOMBZWYCZFY-GFCCVEGCSA-N -1 3 323.817 2.555 20 0 DFADHM Cc1nc(C)c(Cc2nc(-c3cc4ccccc4o3)no2)c(=O)[n-]1 ZINC000088339192 426275256 /nfs/dbraw/zinc/27/52/56/426275256.db2.gz WGALVJWWBBVWLX-UHFFFAOYSA-N -1 3 322.324 2.774 20 0 DFADHM Cc1nc(C)c(CC(=O)NCC2(CC(C)C)CCCC2)c(=O)[n-]1 ZINC000088202557 426273248 /nfs/dbraw/zinc/27/32/48/426273248.db2.gz MPMGUYYYWVMHSR-UHFFFAOYSA-N -1 3 319.449 2.652 20 0 DFADHM CS[C@H]1CCC[C@@H](NC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000117227156 426208773 /nfs/dbraw/zinc/20/87/73/426208773.db2.gz GWKLZZSUCDDYJA-HTIZXDQJSA-N -1 3 316.426 2.561 20 0 DFADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cnn[n-]1 ZINC000117262485 426209819 /nfs/dbraw/zinc/20/98/19/426209819.db2.gz OQLXFXHPFGYNST-UHFFFAOYSA-N -1 3 308.341 2.944 20 0 DFADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1c[n-]nn1 ZINC000117262485 426209823 /nfs/dbraw/zinc/20/98/23/426209823.db2.gz OQLXFXHPFGYNST-UHFFFAOYSA-N -1 3 308.341 2.944 20 0 DFADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cn[n-]n1 ZINC000117262485 426209825 /nfs/dbraw/zinc/20/98/25/426209825.db2.gz OQLXFXHPFGYNST-UHFFFAOYSA-N -1 3 308.341 2.944 20 0 DFADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000117374822 426213050 /nfs/dbraw/zinc/21/30/50/426213050.db2.gz YGGURNOIBHXTPR-NWDGAFQWSA-N -1 3 321.414 2.917 20 0 DFADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000117375975 426213351 /nfs/dbraw/zinc/21/33/51/426213351.db2.gz DBFJUVQFRDFGNJ-NXEZZACHSA-N -1 3 320.867 2.688 20 0 DFADHM CCC[C@](C)(NCc1ccc(Br)cn1)C(=O)[O-] ZINC000135397344 426216303 /nfs/dbraw/zinc/21/63/03/426216303.db2.gz RYQLYSZJTIPIKY-LBPRGKRZSA-N -1 3 301.184 2.577 20 0 DFADHM Cc1ccc(CCC(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000119491501 426292021 /nfs/dbraw/zinc/29/20/21/426292021.db2.gz XBMLCGAOLALVBT-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM Cc1ccc(CCC(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000119491501 426292023 /nfs/dbraw/zinc/29/20/23/426292023.db2.gz XBMLCGAOLALVBT-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM COCCN(Cc1ccc(C)o1)C(=O)c1cccc(C)c1[O-] ZINC000151402014 426293951 /nfs/dbraw/zinc/29/39/51/426293951.db2.gz YLJHAEYNGOGDSK-UHFFFAOYSA-N -1 3 303.358 2.891 20 0 DFADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000175272643 426293979 /nfs/dbraw/zinc/29/39/79/426293979.db2.gz JLHVIAHIAUMOAI-NWDGAFQWSA-N -1 3 321.414 2.917 20 0 DFADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000175283716 426294635 /nfs/dbraw/zinc/29/46/35/426294635.db2.gz HZURJUCMXFEJET-OLZOCXBDSA-N -1 3 321.414 2.917 20 0 DFADHM CCC(CC)CS(=O)(=O)[N-][C@@H](COC)c1ccc(C)o1 ZINC000175350296 426299016 /nfs/dbraw/zinc/29/90/16/426299016.db2.gz IHBCPDVXEJNXLA-ZDUSSCGKSA-N -1 3 303.424 2.631 20 0 DFADHM Cc1ccc(NC(=O)[C@H](C)NC(=O)Nc2ccccc2)c([O-])c1 ZINC000119650499 426300848 /nfs/dbraw/zinc/30/08/48/426300848.db2.gz XUPRWLUKOLDXRO-LBPRGKRZSA-N -1 3 313.357 2.849 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000119723775 426301686 /nfs/dbraw/zinc/30/16/86/426301686.db2.gz LRENVRPCSZMCQA-MAZHCROVSA-N -1 3 301.386 2.778 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c1 ZINC000175542399 426312192 /nfs/dbraw/zinc/31/21/92/426312192.db2.gz KBESTFZMSGSWTC-UHFFFAOYSA-N -1 3 316.332 2.794 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c([O-])c1 ZINC000175535228 426312210 /nfs/dbraw/zinc/31/22/10/426312210.db2.gz OLOCDCKVYJGWIO-UHFFFAOYSA-N -1 3 316.332 2.794 20 0 DFADHM COC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(C)o1 ZINC000175551771 426313220 /nfs/dbraw/zinc/31/32/20/426313220.db2.gz LKLVOXAIYACPKK-ZDUSSCGKSA-N -1 3 322.336 2.620 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000120804248 426314561 /nfs/dbraw/zinc/31/45/61/426314561.db2.gz UWZWHVYTLVDDJC-CYBMUJFWSA-N -1 3 321.384 2.841 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000120804248 426314564 /nfs/dbraw/zinc/31/45/64/426314564.db2.gz UWZWHVYTLVDDJC-CYBMUJFWSA-N -1 3 321.384 2.841 20 0 DFADHM Cc1ocnc1C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000090446634 426327297 /nfs/dbraw/zinc/32/72/97/426327297.db2.gz YZVKGOJGABVORA-UHFFFAOYSA-N -1 3 321.185 2.768 20 0 DFADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(N)cc3)c2)n1 ZINC000152141176 426328622 /nfs/dbraw/zinc/32/86/22/426328622.db2.gz KXHVPZWJASFJIJ-UHFFFAOYSA-N -1 3 320.352 2.580 20 0 DFADHM CCOCCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000175818956 426330917 /nfs/dbraw/zinc/33/09/17/426330917.db2.gz ACAUEJGEQHQWLZ-SECBINFHSA-N -1 3 321.295 2.791 20 0 DFADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000175085397 426278283 /nfs/dbraw/zinc/27/82/83/426278283.db2.gz QSDVIFXEKTZUQZ-CHWSQXEVSA-N -1 3 311.337 2.906 20 0 DFADHM Cc1oc2ncnc(NCc3n[n-]c(=S)n3C(C)C)c2c1C ZINC000119331230 426279235 /nfs/dbraw/zinc/27/92/35/426279235.db2.gz OMCJVWYIURYWRZ-UHFFFAOYSA-N -1 3 318.406 2.913 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CCOC3(C2)CCCCCC3)on1 ZINC000119428658 426287121 /nfs/dbraw/zinc/28/71/21/426287121.db2.gz JACWJYFAWYHBCT-AWEZNQCLSA-N -1 3 321.421 2.735 20 0 DFADHM COC(=O)c1ccc(F)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000122800844 426395329 /nfs/dbraw/zinc/39/53/29/426395329.db2.gz XFWJAQRCVJVXGK-UHFFFAOYSA-N -1 3 303.289 2.879 20 0 DFADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3[O-])c2)n1 ZINC000153686287 426398959 /nfs/dbraw/zinc/39/89/59/426398959.db2.gz NBAQCRCWEIJNLR-UHFFFAOYSA-N -1 3 321.336 2.703 20 0 DFADHM Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccccc3[O-])c2)n1 ZINC000153686287 426398961 /nfs/dbraw/zinc/39/89/61/426398961.db2.gz NBAQCRCWEIJNLR-UHFFFAOYSA-N -1 3 321.336 2.703 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@H]1Cc2ccccc2O1 ZINC000175971676 426342864 /nfs/dbraw/zinc/34/28/64/426342864.db2.gz HHLGGBMGWDHXJR-CQSZACIVSA-N -1 3 324.315 2.553 20 0 DFADHM O=C(c1ccccc1[O-])N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091761533 426343625 /nfs/dbraw/zinc/34/36/25/426343625.db2.gz OIKBWFJXJMEQMY-ABAIWWIYSA-N -1 3 319.307 2.619 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@@H]1COc2ccccc21 ZINC000175970089 426343653 /nfs/dbraw/zinc/34/36/53/426343653.db2.gz ZRWGPDNYPBHQKB-GFCCVEGCSA-N -1 3 324.315 2.726 20 0 DFADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc(F)c1)CO2 ZINC000152544495 426345434 /nfs/dbraw/zinc/34/54/34/426345434.db2.gz XVBYQITWTXCUFJ-CQSZACIVSA-N -1 3 307.346 2.546 20 0 DFADHM COc1ccc(Cl)cc1CNC(=O)c1c([O-])cccc1O ZINC000092108552 426346297 /nfs/dbraw/zinc/34/62/97/426346297.db2.gz USALIRHBIADFSL-UHFFFAOYSA-N -1 3 307.733 2.690 20 0 DFADHM C[C@@H](CNC(=O)c1c([O-])cccc1O)Oc1ccccc1Cl ZINC000092123237 426347553 /nfs/dbraw/zinc/34/75/53/426347553.db2.gz PVRDCTAOSCSVJT-JTQLQIEISA-N -1 3 321.760 2.949 20 0 DFADHM COc1ccc(CN(C)C(=O)c2c([O-])cccc2O)cc1C ZINC000092121054 426348203 /nfs/dbraw/zinc/34/82/03/426348203.db2.gz SLUIDVJSMHZWCQ-UHFFFAOYSA-N -1 3 301.342 2.687 20 0 DFADHM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000176083245 426350703 /nfs/dbraw/zinc/35/07/03/426350703.db2.gz ZKDQNDNXGTTXLH-QRQYBIJMSA-N -1 3 309.431 2.510 20 0 DFADHM Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c([O-])c1 ZINC000121824094 426354110 /nfs/dbraw/zinc/35/41/10/426354110.db2.gz NFMNDNOFOBAVEN-UONOGXRCSA-N -1 3 321.442 2.827 20 0 DFADHM O=C([N-]C1CCN(c2ccccc2)CC1)C(F)(F)C(F)F ZINC000176134006 426354659 /nfs/dbraw/zinc/35/46/59/426354659.db2.gz VMCOINCJJMHRPS-UHFFFAOYSA-N -1 3 304.287 2.672 20 0 DFADHM Cc1cccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1[O-] ZINC000121888572 426355277 /nfs/dbraw/zinc/35/52/77/426355277.db2.gz XFHHZBOTTOOCFU-UHFFFAOYSA-N -1 3 314.316 2.977 20 0 DFADHM CN(C)CCn1cc([N-]c2nc(-c3ccccc3)ns2)cn1 ZINC000122963633 426405526 /nfs/dbraw/zinc/40/55/26/426405526.db2.gz QLQCAVOYLHYWSE-UHFFFAOYSA-N -1 3 314.418 2.707 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)c([O-])c1 ZINC000093964929 426360446 /nfs/dbraw/zinc/36/04/46/426360446.db2.gz GNOAJPCHXRXRBJ-LLVKDONJSA-N -1 3 313.357 2.682 20 0 DFADHM C[C@H](CNC(=O)c1cc2ccccc2cc1[O-])Cn1ccnc1 ZINC000094167069 426360745 /nfs/dbraw/zinc/36/07/45/426360745.db2.gz RRDJBYZWLGIQNB-CYBMUJFWSA-N -1 3 309.369 2.808 20 0 DFADHM CCCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000094433569 426360792 /nfs/dbraw/zinc/36/07/92/426360792.db2.gz IGULCRKYDKSTAZ-UHFFFAOYSA-N -1 3 312.254 2.897 20 0 DFADHM Cc1cccc(C(=O)N2CCC(OC3CCOCC3)CC2)c1[O-] ZINC000153177559 426374037 /nfs/dbraw/zinc/37/40/37/426374037.db2.gz TYAZXAJJXOFGCO-UHFFFAOYSA-N -1 3 319.401 2.501 20 0 DFADHM CC(=O)Nc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000122452637 426376005 /nfs/dbraw/zinc/37/60/05/426376005.db2.gz VKCLMXDKFGFNPT-UHFFFAOYSA-N -1 3 305.256 2.651 20 0 DFADHM CC(=O)Nc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000122452637 426376012 /nfs/dbraw/zinc/37/60/12/426376012.db2.gz VKCLMXDKFGFNPT-UHFFFAOYSA-N -1 3 305.256 2.651 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)c([O-])c1 ZINC000122528714 426380710 /nfs/dbraw/zinc/38/07/10/426380710.db2.gz ZDSWGSBKTVNYDA-HNNXBMFYSA-N -1 3 316.401 2.820 20 0 DFADHM CCOC(=O)c1c(C)csc1NC([O-])=NOCC(C)C ZINC000153453786 426385923 /nfs/dbraw/zinc/38/59/23/426385923.db2.gz HRJWQARDFYJOHZ-UHFFFAOYSA-N -1 3 300.380 2.942 20 0 DFADHM CCOC(=O)c1c(C)csc1NC(=O)[N-]OCC(C)C ZINC000153453786 426385924 /nfs/dbraw/zinc/38/59/24/426385924.db2.gz HRJWQARDFYJOHZ-UHFFFAOYSA-N -1 3 300.380 2.942 20 0 DFADHM COc1ccc(Br)cc1CC(=O)[N-]OCC(C)C ZINC000153452140 426386702 /nfs/dbraw/zinc/38/67/02/426386702.db2.gz WGQDIPNXGQNCSS-UHFFFAOYSA-N -1 3 316.195 2.704 20 0 DFADHM CCS[C@H]1CCC[C@H](NC(=O)c2ccc3n[n-]nc3c2)C1 ZINC000176725156 426407376 /nfs/dbraw/zinc/40/73/76/426407376.db2.gz MFWDEJRWMVWDKM-RYUDHWBXSA-N -1 3 304.419 2.752 20 0 DFADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@H]3C3CC3)c2)n1 ZINC000176752865 426411509 /nfs/dbraw/zinc/41/15/09/426411509.db2.gz ALKCCRHWOABPKA-HOTGVXAUSA-N -1 3 323.396 2.984 20 0 DFADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sccc1OC ZINC000123130151 426415392 /nfs/dbraw/zinc/41/53/92/426415392.db2.gz ZTKYFLSAFKAYCV-ONGXEEELSA-N -1 3 321.489 2.709 20 0 DFADHM Cc1nccn1CCCN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000153994571 426416655 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C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(-n2cccn2)c1 ZINC000177008514 426433698 /nfs/dbraw/zinc/43/36/98/426433698.db2.gz OGZCHCKMZWMBFL-VIFPVBQESA-N -1 3 315.270 2.950 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1cccnc1 ZINC000340726113 269005408 /nfs/dbraw/zinc/00/54/08/269005408.db2.gz WVKFYADNKWXCSK-SECBINFHSA-N -1 3 314.769 2.914 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(=O)[n-]1 ZINC000340744546 269007697 /nfs/dbraw/zinc/00/76/97/269007697.db2.gz OZEVHLSKAVDTOG-DIOULYMOSA-N -1 3 319.449 2.919 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCC[C@H]3F)c[n-]c12 ZINC000340860602 269023538 /nfs/dbraw/zinc/02/35/38/269023538.db2.gz BYFPLCCRHYPWEZ-OLZOCXBDSA-N -1 3 306.312 2.596 20 0 DFADHM CN(C(=O)c1cc([O-])ccc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000340889279 269027180 /nfs/dbraw/zinc/02/71/80/269027180.db2.gz GVPKGRFPUHWEFU-SECBINFHSA-N -1 3 303.280 2.662 20 0 DFADHM CN(C)Cc1cccc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000341265210 269055555 /nfs/dbraw/zinc/05/55/55/269055555.db2.gz 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Cn1c2ccccc2nc1C(C)(C)NC(=O)c1cccc([O-])c1 ZINC000186398366 426518422 /nfs/dbraw/zinc/51/84/22/426518422.db2.gz MPTFRGFMPYZGOS-UHFFFAOYSA-N -1 3 309.369 2.944 20 0 DFADHM COc1cc(CN(C)C(=O)c2ccc([O-])c(C)c2)cc(OC)c1 ZINC000272408873 426519119 /nfs/dbraw/zinc/51/91/19/426519119.db2.gz ISWSLJLKPCLOFE-UHFFFAOYSA-N -1 3 315.369 2.990 20 0 DFADHM Cn1ccnc1C[C@@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186405657 426520177 /nfs/dbraw/zinc/52/01/77/426520177.db2.gz QRLUYROEAWJYLT-ZDUSSCGKSA-N -1 3 303.381 2.720 20 0 DFADHM [O-]c1cc(F)cc(CN2CCCN(c3ccccn3)CC2)c1 ZINC000186419265 426522902 /nfs/dbraw/zinc/52/29/02/426522902.db2.gz SQZGCVFCSVICEG-UHFFFAOYSA-N -1 3 301.365 2.639 20 0 DFADHM COc1cc(-c2noc(-c3cnn(C)c3C3CC3)n2)ccc1[O-] ZINC000280239019 426528014 /nfs/dbraw/zinc/52/80/14/426528014.db2.gz HVEVLENPJFXLPU-UHFFFAOYSA-N -1 3 312.329 2.729 20 0 DFADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cccs2)n1 ZINC000186487274 426538391 /nfs/dbraw/zinc/53/83/91/426538391.db2.gz YDEKMQCBQBFIMK-QMMMGPOBSA-N -1 3 302.446 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ZINC000186263549 426498577 /nfs/dbraw/zinc/49/85/77/426498577.db2.gz CCDSWFKSXMUYBS-GJZGRUSLSA-N -1 3 311.385 2.976 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](COc3ccccc3)C2)n1 ZINC000272599273 426569518 /nfs/dbraw/zinc/56/95/18/426569518.db2.gz QQGZCCLURCCASG-CQSZACIVSA-N -1 3 313.401 2.646 20 0 DFADHM O=C([N-]OCc1noc(C2CC2)n1)c1c(F)cccc1Cl ZINC000264534218 426570997 /nfs/dbraw/zinc/57/09/97/426570997.db2.gz LKZOJJLWYFWELV-UHFFFAOYSA-N -1 3 311.700 2.601 20 0 DFADHM C[C@@]1(NCc2cc(=O)oc3cc([O-])ccc23)CCO[C@@H]1C1CC1 ZINC000273020336 426576835 /nfs/dbraw/zinc/57/68/35/426576835.db2.gz DLLSEGHKMZLLKI-QZTJIDSGSA-N -1 3 315.369 2.546 20 0 DFADHM COc1cccc(C(=O)NCc2ccc(C(C)(C)O)cc2)c1[O-] ZINC000186688342 426579445 /nfs/dbraw/zinc/57/94/45/426579445.db2.gz INCUIUPLLDGTKK-UHFFFAOYSA-N -1 3 315.369 2.558 20 0 DFADHM O=S(=O)([N-]CCF)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000280493178 426586058 /nfs/dbraw/zinc/58/60/58/426586058.db2.gz BHPDVWJJXBBNEI-UHFFFAOYSA-N -1 3 305.680 2.607 20 0 DFADHM C[C@]1(O)CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000280494182 426586723 /nfs/dbraw/zinc/58/67/23/426586723.db2.gz HILGXYNDIMXBOH-SFHVURJKSA-N -1 3 303.402 2.648 20 0 DFADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cnc(Cl)cn1 ZINC000178234998 426592169 /nfs/dbraw/zinc/59/21/69/426592169.db2.gz KLCBOHYFVKPHDN-UHFFFAOYSA-N -1 3 323.790 2.962 20 0 DFADHM Cc1ccc([O-])c(CNC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000224064411 426592213 /nfs/dbraw/zinc/59/22/13/426592213.db2.gz MBBBBDNAEROQRG-ZDUSSCGKSA-N -1 3 321.421 2.585 20 0 DFADHM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000186775373 426594329 /nfs/dbraw/zinc/59/43/29/426594329.db2.gz PHTBRHSZOKRSSJ-CYBMUJFWSA-N -1 3 324.371 2.761 20 0 DFADHM C[C@H]1C[C@H](CCNC(=O)c2c[n-]c3ccccc3c2=O)CCO1 ZINC000273148217 426600971 /nfs/dbraw/zinc/60/09/71/426600971.db2.gz HGDLJWHFGURRGJ-QWHCGFSZSA-N -1 3 314.385 2.875 20 0 DFADHM CCOC(=O)c1sc(NC([O-])=NOCCSC)cc1C ZINC000280564134 426602721 /nfs/dbraw/zinc/60/27/21/426602721.db2.gz OBDGRGBMULTCSA-UHFFFAOYSA-N -1 3 318.420 2.649 20 0 DFADHM CCOC(=O)c1sc(NC(=O)[N-]OCCSC)cc1C ZINC000280564134 426602725 /nfs/dbraw/zinc/60/27/25/426602725.db2.gz OBDGRGBMULTCSA-UHFFFAOYSA-N -1 3 318.420 2.649 20 0 DFADHM COCc1nc(Cc2noc(-c3ccc(C)cc3[O-])n2)cs1 ZINC000289202357 426604369 /nfs/dbraw/zinc/60/43/69/426604369.db2.gz VPJABWLXHSEYKW-UHFFFAOYSA-N -1 3 317.370 2.944 20 0 DFADHM COC1CCC(N(C)Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000265251331 426604936 /nfs/dbraw/zinc/60/49/36/426604936.db2.gz WLHQVMXBWDBJJQ-UHFFFAOYSA-N -1 3 307.419 2.786 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCN(CC(F)(F)F)C1 ZINC000178327930 426605487 /nfs/dbraw/zinc/60/54/87/426605487.db2.gz UHHLBHIVMFWGMV-VIFPVBQESA-N -1 3 320.286 2.744 20 0 DFADHM O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)c1c[n-]nn1 ZINC000187039376 426622055 /nfs/dbraw/zinc/62/20/55/426622055.db2.gz TWJNURMEWPTJRX-INIZCTEOSA-N -1 3 304.353 2.889 20 0 DFADHM O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)c1cnn[n-]1 ZINC000187039376 426622059 /nfs/dbraw/zinc/62/20/59/426622059.db2.gz 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CC(C)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccco1 ZINC000188736329 426783163 /nfs/dbraw/zinc/78/31/63/426783163.db2.gz QQWLJIKLPYOPDR-AWEZNQCLSA-N -1 3 311.378 2.964 20 0 DFADHM COC(=O)CCCO[N-]C(=O)CCCCCc1cccs1 ZINC000290523575 426783349 /nfs/dbraw/zinc/78/33/49/426783349.db2.gz GHCYTMCFAKZQJS-UHFFFAOYSA-N -1 3 313.419 2.852 20 0 DFADHM C[C@@H](C[N-]S(=O)(=O)c1ccco1)c1ccc(F)cc1F ZINC000188733750 426784320 /nfs/dbraw/zinc/78/43/20/426784320.db2.gz NHZSTMCAGUBILU-VIFPVBQESA-N -1 3 301.314 2.640 20 0 DFADHM CSc1nnc(NC(=O)C[C@@H](C)Cc2cccc(F)c2)[n-]1 ZINC000266880847 426787351 /nfs/dbraw/zinc/78/73/51/426787351.db2.gz STRFHSINKHJFEU-VIFPVBQESA-N -1 3 308.382 2.873 20 0 DFADHM CSc1n[n-]c(NC(=O)C[C@@H](C)Cc2cccc(F)c2)n1 ZINC000266880847 426787356 /nfs/dbraw/zinc/78/73/56/426787356.db2.gz STRFHSINKHJFEU-VIFPVBQESA-N -1 3 308.382 2.873 20 0 DFADHM CSc1nc(NC(=O)C[C@@H](C)Cc2cccc(F)c2)n[n-]1 ZINC000266880847 426787362 /nfs/dbraw/zinc/78/73/62/426787362.db2.gz STRFHSINKHJFEU-VIFPVBQESA-N -1 3 308.382 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/nfs/dbraw/zinc/75/67/58/426756758.db2.gz ZWHPHSSKQRCFQK-ACJLOTCBSA-N -1 3 320.352 2.907 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@]12CCc1ccccc12 ZINC000266652276 426756760 /nfs/dbraw/zinc/75/67/60/426756760.db2.gz ZWHPHSSKQRCFQK-ACJLOTCBSA-N -1 3 320.352 2.907 20 0 DFADHM O=C(/C=C/c1ccc[nH]1)NCc1ccc([O-])c(Br)c1 ZINC000188556739 426763479 /nfs/dbraw/zinc/76/34/79/426763479.db2.gz HAXCNSZCAKCQPX-GQCTYLIASA-N -1 3 321.174 2.812 20 0 DFADHM Cc1csc([C@@H]2COCCN2C(=O)c2cccc(C)c2[O-])n1 ZINC000188564315 426763868 /nfs/dbraw/zinc/76/38/68/426763868.db2.gz VUXSDTYJFDLQBO-ZDUSSCGKSA-N -1 3 318.398 2.679 20 0 DFADHM CSc1nnc(NC(=O)[C@@H](C)CCOc2ccccc2)[n-]1 ZINC000266706090 426764950 /nfs/dbraw/zinc/76/49/50/426764950.db2.gz PPQZYJNHVKWHDW-JTQLQIEISA-N -1 3 306.391 2.570 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H](C)CCOc2ccccc2)n1 ZINC000266706090 426764954 /nfs/dbraw/zinc/76/49/54/426764954.db2.gz PPQZYJNHVKWHDW-JTQLQIEISA-N -1 3 306.391 2.570 20 0 DFADHM CSc1nc(NC(=O)[C@@H](C)CCOc2ccccc2)n[n-]1 ZINC000266706090 426764957 /nfs/dbraw/zinc/76/49/57/426764957.db2.gz PPQZYJNHVKWHDW-JTQLQIEISA-N -1 3 306.391 2.570 20 0 DFADHM CSc1nnc(NC(=O)c2ccc(N3CCCCC3)cc2)[n-]1 ZINC000266938062 426800364 /nfs/dbraw/zinc/80/03/64/426800364.db2.gz PEWCLHAUSXWEFD-UHFFFAOYSA-N -1 3 317.418 2.769 20 0 DFADHM CSc1n[n-]c(NC(=O)c2ccc(N3CCCCC3)cc2)n1 ZINC000266938062 426800366 /nfs/dbraw/zinc/80/03/66/426800366.db2.gz PEWCLHAUSXWEFD-UHFFFAOYSA-N -1 3 317.418 2.769 20 0 DFADHM CSc1nc(NC(=O)c2ccc(N3CCCCC3)cc2)n[n-]1 ZINC000266938062 426800367 /nfs/dbraw/zinc/80/03/67/426800367.db2.gz PEWCLHAUSXWEFD-UHFFFAOYSA-N -1 3 317.418 2.769 20 0 DFADHM COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC000179562330 426801731 /nfs/dbraw/zinc/80/17/31/426801731.db2.gz YFHFMRONWKTHII-ZDUSSCGKSA-N -1 3 313.353 2.596 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000290597925 426802080 /nfs/dbraw/zinc/80/20/80/426802080.db2.gz XNCBPRILMURZJN-JTQLQIEISA-N -1 3 305.765 2.789 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCN1c1nccs1 ZINC000179646288 426810941 /nfs/dbraw/zinc/81/09/41/426810941.db2.gz VIFARSIFVJMLCO-LLVKDONJSA-N -1 3 307.350 2.595 20 0 DFADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C(C)C)cc2)o1 ZINC000274673373 426814390 /nfs/dbraw/zinc/81/43/90/426814390.db2.gz ILESZAMEVZGSMN-UHFFFAOYSA-N -1 3 308.403 2.839 20 0 DFADHM CC1(C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCN1 ZINC000179712311 426815688 /nfs/dbraw/zinc/81/56/88/426815688.db2.gz NMBGDWMREOMWIV-UHFFFAOYSA-N -1 3 324.424 2.807 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@H](CC(F)(F)F)C1 ZINC000282047191 426819337 /nfs/dbraw/zinc/81/93/37/426819337.db2.gz LLWSUIANQQBUAG-SSDOTTSWSA-N -1 3 316.258 2.512 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@H](CC(F)(F)F)C1 ZINC000282047191 426819339 /nfs/dbraw/zinc/81/93/39/426819339.db2.gz LLWSUIANQQBUAG-SSDOTTSWSA-N -1 3 316.258 2.512 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@H](CC(F)(F)F)C1 ZINC000282047191 426819343 /nfs/dbraw/zinc/81/93/43/426819343.db2.gz LLWSUIANQQBUAG-SSDOTTSWSA-N -1 3 316.258 2.512 20 0 DFADHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000282049964 426819371 /nfs/dbraw/zinc/81/93/71/426819371.db2.gz TWPAYXMBXYZFNO-MRVPVSSYSA-N -1 3 312.218 2.697 20 0 DFADHM O=C(NCc1nccs1)c1cc([O-])ccc1C(F)(F)F ZINC000189134438 426821405 /nfs/dbraw/zinc/82/14/05/426821405.db2.gz YUMPHBLNGZTYJK-UHFFFAOYSA-N -1 3 302.277 2.798 20 0 DFADHM CC[C@]1(C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCO1 ZINC000189326000 426841019 /nfs/dbraw/zinc/84/10/19/426841019.db2.gz NCLSAZLKVJEMNV-GOSISDBHSA-N -1 3 303.402 2.912 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)s1 ZINC000282188552 426848416 /nfs/dbraw/zinc/84/84/16/426848416.db2.gz DXVVZGPGWZKOSU-JTQLQIEISA-N -1 3 324.418 2.864 20 0 DFADHM Cc1ccc([O-])c(CNCc2nc3cccc(Cl)c3n2C)n1 ZINC000274849080 426851009 /nfs/dbraw/zinc/85/10/09/426851009.db2.gz XRMAYENTKORTCZ-UHFFFAOYSA-N -1 3 316.792 2.926 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)cc1 ZINC000180360490 426852854 /nfs/dbraw/zinc/85/28/54/426852854.db2.gz QLTYQYGQVSWBDF-UHFFFAOYSA-N -1 3 305.355 2.833 20 0 DFADHM Cc1cc(C)c(NC(=O)c2cnc3c(cnn3C)c2[O-])c(C)c1 ZINC000179443973 426790230 /nfs/dbraw/zinc/79/02/30/426790230.db2.gz WECROPXNTDNSQZ-UHFFFAOYSA-N -1 3 310.357 2.851 20 0 DFADHM C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)C[C@H](c2ccccc2)O1 ZINC000179454172 426790574 /nfs/dbraw/zinc/79/05/74/426790574.db2.gz GBKIPSYVTSNNFK-WXVPVVBVSA-N -1 3 324.380 2.789 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000179465759 426792779 /nfs/dbraw/zinc/79/27/79/426792779.db2.gz LEASWQYJCJEGGC-LZCJLJQNSA-N -1 3 306.325 2.829 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000179477449 426793323 /nfs/dbraw/zinc/79/33/23/426793323.db2.gz KKBKTOWLJWRNLX-MOEXGYKKSA-N -1 3 309.369 2.513 20 0 DFADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000282233912 426859561 /nfs/dbraw/zinc/85/95/61/426859561.db2.gz PHMYGTVSHKDKRC-SECBINFHSA-N -1 3 319.810 2.709 20 0 DFADHM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)CCCCF ZINC000295208623 426864445 /nfs/dbraw/zinc/86/44/45/426864445.db2.gz OUSQGSDTKFFEIL-UHFFFAOYSA-N -1 3 311.382 2.672 20 0 DFADHM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000246781531 426865326 /nfs/dbraw/zinc/86/53/26/426865326.db2.gz ZKDQNDNXGTTXLH-ZNLKAECVSA-N -1 3 309.431 2.510 20 0 DFADHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1cc([O-])ccc1Cl ZINC000290937559 426871266 /nfs/dbraw/zinc/87/12/66/426871266.db2.gz PMSAEXJKOYBUQF-IOJWWUGISA-N -1 3 307.777 2.541 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2cnn(C3CCCC3)c2C)[n-]1 ZINC000295264162 426882582 /nfs/dbraw/zinc/88/25/82/426882582.db2.gz HCNSRWNVANSCDZ-UHFFFAOYSA-N -1 3 316.361 2.674 20 0 DFADHM CCc1cc(C(=O)NCCCn2nc(C)cc2C)ccc1[O-] ZINC000291458468 426885907 /nfs/dbraw/zinc/88/59/07/426885907.db2.gz NASWUHNROYSKHE-UHFFFAOYSA-N -1 3 301.390 2.588 20 0 DFADHM Cc1cccc(C(=O)N2CCC3(CCC(O)CC3)CC2)c1[O-] ZINC000295287146 426891283 /nfs/dbraw/zinc/89/12/83/426891283.db2.gz DCTFENLGVRLSQD-UHFFFAOYSA-N -1 3 303.402 2.858 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)c[nH]1)c1c[n-]c2ccccc2c1=O ZINC000337641286 426892982 /nfs/dbraw/zinc/89/29/82/426892982.db2.gz YBSCYUOYZPATIK-UHFFFAOYSA-N -1 3 322.246 2.522 20 0 DFADHM O=c1[n-]nc(C2CCN(Cc3ccc4ccccc4c3)CC2)o1 ZINC000295289708 426894375 /nfs/dbraw/zinc/89/43/75/426894375.db2.gz JGADAUXDJRYNQB-UHFFFAOYSA-N -1 3 309.369 2.896 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@H]2CCCn3cc(C)nc32)c1 ZINC000337640020 426894795 /nfs/dbraw/zinc/89/47/95/426894795.db2.gz SZZMBURVSKFKQB-CQSZACIVSA-N -1 3 313.401 2.767 20 0 DFADHM Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ncon2)c([O-])c1 ZINC000189587016 426895531 /nfs/dbraw/zinc/89/55/31/426895531.db2.gz UTCIXYSVMGWONC-CYBMUJFWSA-N -1 3 301.346 2.841 20 0 DFADHM CCc1cc(C(=O)N(CCOC)Cc2ccco2)ccc1[O-] ZINC000291496947 426896073 /nfs/dbraw/zinc/89/60/73/426896073.db2.gz OQBAEZSSPGHQIO-UHFFFAOYSA-N -1 3 303.358 2.836 20 0 DFADHM Cc1cc(Cl)cnc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000291501770 426899020 /nfs/dbraw/zinc/89/90/20/426899020.db2.gz VMZVDEUTNDHPNI-UHFFFAOYSA-N -1 3 320.780 2.727 20 0 DFADHM Cc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1OC(F)F ZINC000189604221 426901679 /nfs/dbraw/zinc/90/16/79/426901679.db2.gz UMZYRMRQSDSELP-SNVBAGLBSA-N -1 3 316.304 2.686 20 0 DFADHM CCOc1cc(/C=C/C(=O)Nc2ncccc2[O-])ccc1O ZINC000180993231 426904257 /nfs/dbraw/zinc/90/42/57/426904257.db2.gz BSTDJEZJRIHESD-SOFGYWHQSA-N -1 3 300.314 2.543 20 0 DFADHM FC(F)(F)c1ccccc1[C@@H]1C[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000337657622 426904635 /nfs/dbraw/zinc/90/46/35/426904635.db2.gz QIBJMDLILLXKMU-JOYOIKCWSA-N -1 3 319.290 2.713 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)c2coc(C(N)=O)c2)c([O-])c1 ZINC000337657704 426904855 /nfs/dbraw/zinc/90/48/55/426904855.db2.gz OHVDUENVRLKDQM-UHFFFAOYSA-N -1 3 302.330 2.634 20 0 DFADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccccc1OCC1CC1 ZINC000189694596 426926126 /nfs/dbraw/zinc/92/61/26/426926126.db2.gz CDFGNONUWQLVDI-ZDUSSCGKSA-N -1 3 306.362 2.565 20 0 DFADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccccc1OCC1CC1 ZINC000189694596 426926132 /nfs/dbraw/zinc/92/61/32/426926132.db2.gz CDFGNONUWQLVDI-ZDUSSCGKSA-N -1 3 306.362 2.565 20 0 DFADHM COc1cc(C(=O)NCCc2cccc3[nH]ccc32)ccc1[O-] ZINC000337661643 426907699 /nfs/dbraw/zinc/90/76/99/426907699.db2.gz QRYDABXUYMWKON-UHFFFAOYSA-N -1 3 310.353 2.855 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])NC[C@@H]1CC[C@H](O)C1 ZINC000295409881 426945750 /nfs/dbraw/zinc/94/57/50/426945750.db2.gz MSUSWLCSLIAWMX-CJNGLKHVSA-N -1 3 313.397 2.755 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000316461191 426946667 /nfs/dbraw/zinc/94/66/67/426946667.db2.gz HLSTVYDMHWDXEO-NUEKZKHPSA-N -1 3 303.402 2.856 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)c2cn(C(C)(C)C)nn2)c1[O-] ZINC000189808736 426954392 /nfs/dbraw/zinc/95/43/92/426954392.db2.gz BKGIMOVCGNTCOP-UHFFFAOYSA-N -1 3 308.769 2.953 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@H]1CCCC[C@@H]1O ZINC000295433220 426956258 /nfs/dbraw/zinc/95/62/58/426956258.db2.gz MPPGJRDMQPLURY-IRXDYDNUSA-N -1 3 313.397 2.898 20 0 DFADHM COc1ccc([O-])c(C(=O)NCC[C@H]2CNc3ccccc32)c1 ZINC000320925148 426965542 /nfs/dbraw/zinc/96/55/42/426965542.db2.gz VZSJFHLKTBJJBZ-LBPRGKRZSA-N -1 3 312.369 2.730 20 0 DFADHM C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2ccc([O-])c(F)c2)C1(C)C ZINC000276002433 426966543 /nfs/dbraw/zinc/96/65/43/426966543.db2.gz RZUWYKHICYJCKH-PWSUYJOCSA-N -1 3 307.365 2.789 20 0 DFADHM Cc1ccc(-c2cc(C(=O)N3CCOc4nc(C)ccc43)n[n-]2)o1 ZINC000181604494 426966889 /nfs/dbraw/zinc/96/68/89/426966889.db2.gz AEGUNFIPPKONTO-UHFFFAOYSA-N -1 3 324.340 2.721 20 0 DFADHM Cc1ccc(-c2cc(C(=O)N3CCOc4nc(C)ccc43)[n-]n2)o1 ZINC000181604494 426966897 /nfs/dbraw/zinc/96/68/97/426966897.db2.gz AEGUNFIPPKONTO-UHFFFAOYSA-N -1 3 324.340 2.721 20 0 DFADHM COc1cc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)ccc1[O-] ZINC000276038468 426974243 /nfs/dbraw/zinc/97/42/43/426974243.db2.gz VRLBWJBOAKEEEO-IIDMSEBBSA-N -1 3 309.365 2.717 20 0 DFADHM C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000295475801 426974870 /nfs/dbraw/zinc/97/48/70/426974870.db2.gz YKEXLXZIAMYQCQ-ZYHUDNBSSA-N -1 3 307.781 2.957 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)c2cnn3ccncc23)c1[O-] ZINC000189898790 426975538 /nfs/dbraw/zinc/97/55/38/426975538.db2.gz SVSZRCCAFMLZKH-UHFFFAOYSA-N -1 3 302.721 2.649 20 0 DFADHM CCN(C(=O)c1cccc(OC)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000291755228 426976137 /nfs/dbraw/zinc/97/61/37/426976137.db2.gz YVTJRJCQOAIVQR-LBPRGKRZSA-N -1 3 307.390 2.821 20 0 DFADHM COc1cc(C(=O)N[C@H](C)COCc2ccccc2)ccc1[O-] ZINC000276062645 426976731 /nfs/dbraw/zinc/97/67/31/426976731.db2.gz ZTQMCDTVIUELCR-CYBMUJFWSA-N -1 3 315.369 2.736 20 0 DFADHM Cc1ccc(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)c([O-])c1 ZINC000268320090 426984693 /nfs/dbraw/zinc/98/46/93/426984693.db2.gz STXXOQWCSCBVQK-GDBMZVCRSA-N -1 3 313.397 2.985 20 0 DFADHM COc1ccc([C@H](C)NC(=O)c2cccc([O-])c2)cc1OC ZINC000181876362 426987911 /nfs/dbraw/zinc/98/79/11/426987911.db2.gz PCIHBTGUFXJFBK-NSHDSACASA-N -1 3 301.342 2.900 20 0 DFADHM CC1(C)Oc2ccc(NC(=O)/C=C/c3cncc([O-])c3)cc2O1 ZINC000181884965 426988839 /nfs/dbraw/zinc/98/88/39/426988839.db2.gz WXJFPWMVNPVZCN-ZZXKWVIFSA-N -1 3 312.325 2.946 20 0 DFADHM CN(Cc1ccc(F)c(F)c1)C(=O)/C=C/c1cncc([O-])c1 ZINC000181865396 426989212 /nfs/dbraw/zinc/98/92/12/426989212.db2.gz LJDMZVBFDAFJFP-HWKANZROSA-N -1 3 304.296 2.737 20 0 DFADHM Cc1cc(C)c2c(=O)[n-]c(SCCC3OCCCO3)nc2n1 ZINC000268335008 426989466 /nfs/dbraw/zinc/98/94/66/426989466.db2.gz CZBOARCSJUAICT-UHFFFAOYSA-N -1 3 321.402 2.592 20 0 DFADHM COC(=O)CCCCCCC[N-]S(=O)(=O)c1cccs1 ZINC000268340082 426991349 /nfs/dbraw/zinc/99/13/49/426991349.db2.gz KVABSWJCEBKWSP-UHFFFAOYSA-N -1 3 319.448 2.540 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000291797461 426991679 /nfs/dbraw/zinc/99/16/79/426991679.db2.gz PLOIRRKFEPDDMB-UWVGGRQHSA-N -1 3 307.350 2.505 20 0 DFADHM Cc1cc(NC(=O)[N-]OC[C@@H]2CCOC2)ccc1OC(C)C ZINC000189698304 426927502 /nfs/dbraw/zinc/92/75/02/426927502.db2.gz HJZGYIAVPBDHJM-CYBMUJFWSA-N -1 3 308.378 2.872 20 0 DFADHM COc1ccc(CCCNC(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000181912930 426993241 /nfs/dbraw/zinc/99/32/41/426993241.db2.gz BVBYOYFAXMEDQD-RMKNXTFCSA-N -1 3 312.369 2.558 20 0 DFADHM CC(C)CCC[C@@H](C)NC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000314818853 426930782 /nfs/dbraw/zinc/93/07/82/426930782.db2.gz ZBJTZJLHIDWRRZ-CABCVRRESA-N -1 3 312.454 2.647 20 0 DFADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1cc(F)ccc1OC(F)F ZINC000189728482 426934985 /nfs/dbraw/zinc/93/49/85/426934985.db2.gz JSIFIOPMGLCFSB-MRVPVSSYSA-N -1 3 320.267 2.517 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cc(F)ccc1OC(F)F ZINC000189728482 426934991 /nfs/dbraw/zinc/93/49/91/426934991.db2.gz JSIFIOPMGLCFSB-MRVPVSSYSA-N -1 3 320.267 2.517 20 0 DFADHM CCCOc1cc(F)ccc1NC([O-])=NOC[C@@H]1CCOC1 ZINC000189729365 426935520 /nfs/dbraw/zinc/93/55/20/426935520.db2.gz DWDAESTVRBXPHG-LLVKDONJSA-N -1 3 312.341 2.704 20 0 DFADHM CCCOc1cc(F)ccc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189729365 426935526 /nfs/dbraw/zinc/93/55/26/426935526.db2.gz DWDAESTVRBXPHG-LLVKDONJSA-N -1 3 312.341 2.704 20 0 DFADHM CO[C@H](C[N-]S(=O)(=O)c1cccc(C)c1F)c1ccccc1 ZINC000181335320 426938566 /nfs/dbraw/zinc/93/85/66/426938566.db2.gz KVQMRVCIWLEOTA-CQSZACIVSA-N -1 3 323.389 2.800 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c([O-])c1 ZINC000291655465 426939593 /nfs/dbraw/zinc/93/95/93/426939593.db2.gz XAJOOUAYJHZYLR-GFCCVEGCSA-N -1 3 305.765 2.638 20 0 DFADHM O=c1[n-]nc(C2CCN(CCCc3ccccc3Cl)CC2)o1 ZINC000295391802 426939826 /nfs/dbraw/zinc/93/98/26/426939826.db2.gz QYGWFDOOKWUOFL-UHFFFAOYSA-N -1 3 321.808 2.829 20 0 DFADHM CCOc1ccccc1OCCN1CCC(C)(C(=O)[O-])CC1 ZINC000316100498 426943456 /nfs/dbraw/zinc/94/34/56/426943456.db2.gz DAFVZRHVPMHMCA-UHFFFAOYSA-N -1 3 307.390 2.651 20 0 DFADHM COC(=O)c1ccc(F)c([N-]C(=O)c2snnc2C2CC2)c1 ZINC000292014024 427057039 /nfs/dbraw/zinc/05/70/39/427057039.db2.gz XXJYKKYUBKNWEQ-UHFFFAOYSA-N -1 3 321.333 2.594 20 0 DFADHM CC(C)[C@H](C(=O)Nc1ccc([O-])cc1F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248418442 426998529 /nfs/dbraw/zinc/99/85/29/426998529.db2.gz SRPVWTKBLDSBIM-BFQNTYOBSA-N -1 3 324.396 2.604 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000181979153 427002025 /nfs/dbraw/zinc/00/20/25/427002025.db2.gz JGCXBZSRFQHIJJ-QPJJXVBHSA-N -1 3 323.352 2.714 20 0 DFADHM CCOc1ccc(CNC(=O)/C=C/c2cncc([O-])c2)cc1F ZINC000181986718 427004274 /nfs/dbraw/zinc/00/42/74/427004274.db2.gz KTBTVDMGAPWEDD-GQCTYLIASA-N -1 3 316.332 2.655 20 0 DFADHM C[C@H]1CCCC[C@H]1N(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000328877439 427006597 /nfs/dbraw/zinc/00/65/97/427006597.db2.gz TYUWZVIMHQIMKK-GXTWGEPZSA-N -1 3 321.446 2.519 20 0 DFADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(C2CC2)cc1 ZINC000296059102 427061590 /nfs/dbraw/zinc/06/15/90/427061590.db2.gz UPANPQVTFNFSGH-UHFFFAOYSA-N -1 3 321.373 2.996 20 0 DFADHM C[C@@]1(CNC(=O)c2cccc([O-])c2)OCCc2sccc21 ZINC000291855576 427007543 /nfs/dbraw/zinc/00/75/43/427007543.db2.gz GDXHTFPRKYVCBX-INIZCTEOSA-N -1 3 303.383 2.672 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c(=O)[n-]1 ZINC000295559788 427007631 /nfs/dbraw/zinc/00/76/31/427007631.db2.gz JOXFAYZVZGEUMO-HUUCEWRRSA-N -1 3 317.433 2.769 20 0 DFADHM Cc1ccccc1O[C@@H](C)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000182057372 427010102 /nfs/dbraw/zinc/01/01/02/427010102.db2.gz JLJCOCMAWJYZCD-NPQIQWPPSA-N -1 3 312.369 2.693 20 0 DFADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000182083534 427012794 /nfs/dbraw/zinc/01/27/94/427012794.db2.gz NLHIADOBBQTKBG-RISCZKNCSA-N -1 3 316.405 2.715 20 0 DFADHM COCCC1(CNC(=O)/C=C/c2cncc([O-])c2)CCCC1 ZINC000182109629 427013889 /nfs/dbraw/zinc/01/38/89/427013889.db2.gz RZUDJOUQKPDPHL-SNAWJCMRSA-N -1 3 304.390 2.514 20 0 DFADHM CCO[C@H]1C[C@H](N(C)C(=O)/C=C/c2cncc([O-])c2)C12CCC2 ZINC000182121431 427014580 /nfs/dbraw/zinc/01/45/80/427014580.db2.gz DZAWWTZURHLOIU-DKLOGILVSA-N -1 3 316.401 2.607 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000182131352 427014738 /nfs/dbraw/zinc/01/47/38/427014738.db2.gz NWBFXIJSWDLRGQ-VMPITWQZSA-N -1 3 324.380 2.945 20 0 DFADHM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000182126727 427015625 /nfs/dbraw/zinc/01/56/25/427015625.db2.gz SEJMWGKKKPKPAP-LJLILKBBSA-N -1 3 312.369 2.596 20 0 DFADHM O=C(Nc1ccc(CN2CCOC2=O)cc1)c1cccc([O-])c1 ZINC000182147635 427019373 /nfs/dbraw/zinc/01/93/73/427019373.db2.gz NAKJMDOXQRCVGP-UHFFFAOYSA-N -1 3 312.325 2.597 20 0 DFADHM Cc1cc(C)c(S(=O)(=O)[N-]CC(F)(F)C(F)F)s1 ZINC000295932205 427020928 /nfs/dbraw/zinc/02/09/28/427020928.db2.gz KITNAASRRBUKKK-UHFFFAOYSA-N -1 3 305.318 2.544 20 0 DFADHM Cc1cc(C(=O)N2CCCCC[C@H]2c2ncon2)ccc1[O-] ZINC000276282904 427024534 /nfs/dbraw/zinc/02/45/34/427024534.db2.gz UMSZJQPNAIUSRC-ZDUSSCGKSA-N -1 3 301.346 2.841 20 0 DFADHM Cc1cc(C(=O)NC[C@@]2(C)OCCc3sccc32)ccc1[O-] ZINC000291926258 427027725 /nfs/dbraw/zinc/02/77/25/427027725.db2.gz NVUKFPIUOADHGF-QGZVFWFLSA-N -1 3 317.410 2.980 20 0 DFADHM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc([O-])cc(F)c1 ZINC000248709036 427033509 /nfs/dbraw/zinc/03/35/09/427033509.db2.gz MLYIKSUBWZKGSC-MAZHCROVSA-N -1 3 307.365 2.837 20 0 DFADHM CCc1cc(C(=O)NC[C@@](C)(O)c2ccsc2)ccc1[O-] ZINC000291952016 427038854 /nfs/dbraw/zinc/03/88/54/427038854.db2.gz OFKPNONPFVGINF-MRXNPFEDSA-N -1 3 305.399 2.654 20 0 DFADHM C[C@@H]1[C@H](O)CCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000296000371 427040395 /nfs/dbraw/zinc/04/03/95/427040395.db2.gz JVTYPPIIGGWXMP-CXAGYDPISA-N -1 3 313.397 2.850 20 0 DFADHM COCCOc1ccc(F)cc1NC(=O)c1cccc([O-])c1 ZINC000182310550 427050772 /nfs/dbraw/zinc/05/07/72/427050772.db2.gz NTHRRDNFNMWWBF-UHFFFAOYSA-N -1 3 305.305 2.809 20 0 DFADHM CCc1ccc(C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c([O-])c1 ZINC000276383947 427051404 /nfs/dbraw/zinc/05/14/04/427051404.db2.gz QTDLXRFUNQMSHH-GOEBONIOSA-N -1 3 305.418 2.824 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)c([O-])c1 ZINC000276426666 427065370 /nfs/dbraw/zinc/06/53/70/427065370.db2.gz XZEFBBIZMGDDOI-DZGCQCFKSA-N -1 3 301.386 2.928 20 0 DFADHM CC1=C(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)CCC1 ZINC000329218988 427067884 /nfs/dbraw/zinc/06/78/84/427067884.db2.gz SDQMVPXIRXOSRV-ZBEGNZNMSA-N -1 3 305.378 2.511 20 0 DFADHM Cc1cc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)[n-]c(=O)n1 ZINC000268612700 427068292 /nfs/dbraw/zinc/06/82/92/427068292.db2.gz BUYNIHREIQAZCM-SNVBAGLBSA-N -1 3 305.765 2.977 20 0 DFADHM COc1ccc(C[C@H](C)NC(=O)c2cccc([O-])c2)cc1OC ZINC000182395193 427068533 /nfs/dbraw/zinc/06/85/33/427068533.db2.gz GVFKZWFDWXTRBY-LBPRGKRZSA-N -1 3 315.369 2.770 20 0 DFADHM CCc1cc(C(=O)N[C@H](COC)c2ccc(C)o2)ccc1[O-] ZINC000292048042 427069299 /nfs/dbraw/zinc/06/92/99/427069299.db2.gz YHKSSSLJGIVDIC-CQSZACIVSA-N -1 3 303.358 2.974 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cn(C(C)(C)C)nn2)c2c([O-])cccc21 ZINC000190321811 427074751 /nfs/dbraw/zinc/07/47/51/427074751.db2.gz OPBUAEBWOPMVEP-LLVKDONJSA-N -1 3 314.389 2.893 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CCC(C)(C(C)C)CC2)c(=O)[n-]1 ZINC000190325448 427076275 /nfs/dbraw/zinc/07/62/75/427076275.db2.gz FYOUIAWYCVBPQT-UHFFFAOYSA-N -1 3 319.449 2.604 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccncc1F ZINC000337989011 427076376 /nfs/dbraw/zinc/07/63/76/427076376.db2.gz ZZYYOILUXJMDAA-MRVPVSSYSA-N -1 3 316.304 2.538 20 0 DFADHM CN(C(=O)c1cccc([O-])c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000182456021 427081059 /nfs/dbraw/zinc/08/10/59/427081059.db2.gz DAGPUAFKVVYPGP-KRWDZBQOSA-N -1 3 324.380 2.660 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1cc(OC)c(OC)cc1OC ZINC000292201480 427129035 /nfs/dbraw/zinc/12/90/35/427129035.db2.gz XOLKXTLGKSSPDM-GUOLPTJISA-N -1 3 323.389 2.820 20 0 DFADHM CN(CC(C)(C)CO)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000296143480 427088291 /nfs/dbraw/zinc/08/82/91/427088291.db2.gz KBXZCSPIYXHCPJ-UHFFFAOYSA-N -1 3 305.296 2.502 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000292118473 427097603 /nfs/dbraw/zinc/09/76/03/427097603.db2.gz HUVWFMSTQQMGJL-GFCCVEGCSA-N -1 3 317.389 2.752 20 0 DFADHM COCc1ccccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000276560349 427098718 /nfs/dbraw/zinc/09/87/18/427098718.db2.gz LQCOHZWXLJBJLH-UHFFFAOYSA-N -1 3 320.414 2.700 20 0 DFADHM COCc1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 ZINC000276564132 427101747 /nfs/dbraw/zinc/10/17/47/427101747.db2.gz MFZNBOQQKIWASN-UHFFFAOYSA-N -1 3 320.414 2.700 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)c([O-])c1 ZINC000276566084 427102137 /nfs/dbraw/zinc/10/21/37/427102137.db2.gz SKCBUMSRUDPQHJ-UHFFFAOYSA-N -1 3 324.380 2.835 20 0 DFADHM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(C)ccc1[O-] ZINC000249357370 427106974 /nfs/dbraw/zinc/10/69/74/427106974.db2.gz YTNWMPLZPCXTRD-QEJZJMRPSA-N -1 3 317.385 2.647 20 0 DFADHM O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cccc([O-])c1 ZINC000182591562 427107674 /nfs/dbraw/zinc/10/76/74/427107674.db2.gz VKBNLDPQNCLWGU-UHFFFAOYSA-N -1 3 320.348 2.855 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)C1 ZINC000329399793 427108208 /nfs/dbraw/zinc/10/82/08/427108208.db2.gz VRLHFEVNBSQKFI-ZOPJHEKZSA-N -1 3 321.421 2.837 20 0 DFADHM CCc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c([O-])c1 ZINC000249385709 427108661 /nfs/dbraw/zinc/10/86/61/427108661.db2.gz RBXCUXYSMZMPEL-FVQBIDKESA-N -1 3 301.386 2.642 20 0 DFADHM O=C(Nc1cnn(CC(F)F)c1)c1ccc2c(c1[O-])CCCC2 ZINC000182710918 427132430 /nfs/dbraw/zinc/13/24/30/427132430.db2.gz HHNRJODKUIPJCQ-UHFFFAOYSA-N -1 3 321.327 2.985 20 0 DFADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(C)(C)O ZINC000277073548 427135386 /nfs/dbraw/zinc/13/53/86/427135386.db2.gz QDYINQVRXVQDEF-LBPRGKRZSA-N -1 3 323.817 2.553 20 0 DFADHM COc1ccc([C@@H](CN(C)C)NCc2cc([O-])cc(F)c2)cc1 ZINC000284120646 427135958 /nfs/dbraw/zinc/13/59/58/427135958.db2.gz TWDYVZJJQYRSOS-GOSISDBHSA-N -1 3 318.392 2.932 20 0 DFADHM CC(C)CCOc1cccc(NC([O-])=NOC(C)(C)CO)c1 ZINC000296283278 427138156 /nfs/dbraw/zinc/13/81/56/427138156.db2.gz BTEYLJUPSMDMBY-UHFFFAOYSA-N -1 3 310.394 2.936 20 0 DFADHM CC(C)CCOc1cccc(NC(=O)[N-]OC(C)(C)CO)c1 ZINC000296283278 427138161 /nfs/dbraw/zinc/13/81/61/427138161.db2.gz BTEYLJUPSMDMBY-UHFFFAOYSA-N -1 3 310.394 2.936 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)CCc1nc(-c2cccs2)no1 ZINC000292248664 427144105 /nfs/dbraw/zinc/14/41/05/427144105.db2.gz QSLLDUXHKPATKX-JTQLQIEISA-N -1 3 309.391 2.825 20 0 DFADHM CCCCOc1ccc(C(=O)N2CC[C@]3(CCOC3)C2)c([O-])c1 ZINC000190620478 427147048 /nfs/dbraw/zinc/14/70/48/427147048.db2.gz SCQFKSDLTQKILO-SFHVURJKSA-N -1 3 319.401 2.824 20 0 DFADHM Cn1[n-]c(CN[C@@H](c2ccc(Cl)cc2)C2CCCC2)nc1=O ZINC000329641694 427155620 /nfs/dbraw/zinc/15/56/20/427155620.db2.gz ZVGMFAQHHFIEDB-OAHLLOKOSA-N -1 3 320.824 2.783 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1[O-] ZINC000108978592 271008550 /nfs/dbraw/zinc/00/85/50/271008550.db2.gz LYAMCXZTEHFJLY-UHFFFAOYSA-N -1 3 311.341 2.696 20 0 DFADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)CCO1 ZINC000156291793 271058083 /nfs/dbraw/zinc/05/80/83/271058083.db2.gz YALIFDILGKWDOF-SECBINFHSA-N -1 3 321.801 2.715 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)c3cc(C)oc3C)[n-]c21 ZINC000157787689 271069540 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Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)sc2nccn12 ZINC000269911699 271289162 /nfs/dbraw/zinc/28/91/62/271289162.db2.gz REWDIXAEXVYENF-UHFFFAOYSA-N -1 3 307.404 2.931 20 0 DFADHM CN(C)C(=O)c1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000182946671 427170813 /nfs/dbraw/zinc/17/08/13/427170813.db2.gz OEIGHGYRXMQQOR-UHFFFAOYSA-N -1 3 324.380 2.687 20 0 DFADHM COc1ccc(C(=O)NC[C@H](C)Oc2cccc(C)c2)c([O-])c1 ZINC000303970892 271365940 /nfs/dbraw/zinc/36/59/40/271365940.db2.gz DZBRSHMMRDWHIO-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@H](O)CC12CCC2 ZINC000333808723 271391396 /nfs/dbraw/zinc/39/13/96/271391396.db2.gz ZQLOYRZPQVEEOT-AWEZNQCLSA-N -1 3 315.413 2.791 20 0 DFADHM CCc1ccc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)c([O-])c1 ZINC000296409405 427173238 /nfs/dbraw/zinc/17/32/38/427173238.db2.gz XARDQCYSWYIXTO-OAHLLOKOSA-N -1 3 313.401 2.911 20 0 DFADHM CC(C)ON=C([O-])Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000296416210 427174348 /nfs/dbraw/zinc/17/43/48/427174348.db2.gz MPGAVDGEQAPRHZ-BETUJISGSA-N -1 3 307.394 2.762 20 0 DFADHM CC(C)O[N-]C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000296416210 427174352 /nfs/dbraw/zinc/17/43/52/427174352.db2.gz MPGAVDGEQAPRHZ-BETUJISGSA-N -1 3 307.394 2.762 20 0 DFADHM CN(CCCNC(=O)c1cc([O-])ccc1Cl)CC(F)(F)F ZINC000277368511 427180200 /nfs/dbraw/zinc/18/02/00/427180200.db2.gz ITMJODWFZLDHHJ-UHFFFAOYSA-N -1 3 324.730 2.660 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)oc1C)c1nccs1 ZINC000183197371 427219198 /nfs/dbraw/zinc/21/91/98/427219198.db2.gz APHCHTMLCAHKHI-SNVBAGLBSA-N -1 3 300.405 2.783 20 0 DFADHM COc1ccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c([O-])c1 ZINC000277417251 427197972 /nfs/dbraw/zinc/19/79/72/427197972.db2.gz LHVIUGIFFNUIHY-VIFPVBQESA-N -1 3 303.280 2.815 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCCC(F)(F)C1)c1ccccn1 ZINC000330193866 427202540 /nfs/dbraw/zinc/20/25/40/427202540.db2.gz APTHDMXHNMYEQZ-NSHDSACASA-N -1 3 304.362 2.576 20 0 DFADHM Fc1cnc(Sc2nnc([N-]CC(F)(F)F)s2)nc1 ZINC000269470397 427206048 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CC(C)[C@H]1C[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)CCO1 ZINC000330662168 427284451 /nfs/dbraw/zinc/28/44/51/427284451.db2.gz UEQPNUQPPMHGBF-SWLSCSKDSA-N -1 3 311.809 2.908 20 0 DFADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000183213326 427223660 /nfs/dbraw/zinc/22/36/60/427223660.db2.gz YWASNYLBFWRYMN-SNVBAGLBSA-N -1 3 305.353 2.907 20 0 DFADHM CCc1ccc(C(=O)N(CCOC)Cc2cccnc2)c([O-])c1 ZINC000190999903 427227717 /nfs/dbraw/zinc/22/77/17/427227717.db2.gz MXUCLMFVZOVZTR-UHFFFAOYSA-N -1 3 314.385 2.638 20 0 DFADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1cc(F)cc(Cl)c1 ZINC000277515340 427228175 /nfs/dbraw/zinc/22/81/75/427228175.db2.gz YKIWCQHJCKVPEH-CQSZACIVSA-N -1 3 314.788 2.508 20 0 DFADHM COC(=O)Nc1cccc(CNCc2nc(C)ccc2[O-])c1 ZINC000285430086 427231169 /nfs/dbraw/zinc/23/11/69/427231169.db2.gz HLSURWSBWRHJLQ-UHFFFAOYSA-N -1 3 301.346 2.564 20 0 DFADHM CCOC(=O)Cc1cnc(NC(=O)c2ccc(C)cc2[O-])s1 ZINC000296787390 427233078 /nfs/dbraw/zinc/23/30/78/427233078.db2.gz BIAZQHLOGXRYLB-UHFFFAOYSA-N -1 3 320.370 2.515 20 0 DFADHM COc1cccc([C@@H](C)CCCC(=O)[N-]OC(C)(C)CO)c1 ZINC000296798353 427238216 /nfs/dbraw/zinc/23/82/16/427238216.db2.gz DZOVOZOUFFCBQR-ZDUSSCGKSA-N -1 3 309.406 2.788 20 0 DFADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)[N-]OC(C)(C)CO)cc1 ZINC000296821863 427239409 /nfs/dbraw/zinc/23/94/09/427239409.db2.gz GEUVMIVJBQQKJZ-OAHLLOKOSA-N -1 3 323.433 2.616 20 0 DFADHM O=C(/C=C\c1ccc2c(c1)OCCO2)Nc1cccc([O-])c1F ZINC000255083609 427240289 /nfs/dbraw/zinc/24/02/89/427240289.db2.gz NBMSCUVOQFXQGR-ALCCZGGFSA-N -1 3 315.300 2.954 20 0 DFADHM CCS[C@@H]1CC[C@H](N(C)C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000255148987 427243354 /nfs/dbraw/zinc/24/33/54/427243354.db2.gz DCGSIYAYQKHUAQ-NBVGUUKWSA-N -1 3 306.431 2.933 20 0 DFADHM CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])CC1=O ZINC000330460729 427244209 /nfs/dbraw/zinc/24/42/09/427244209.db2.gz VXRGTKFQDJJWBD-VIFPVBQESA-N -1 3 310.781 2.631 20 0 DFADHM O=C(/C=C\c1ccc(OC(F)F)cc1)[N-]O[C@H]1CCCCO1 ZINC000255152042 427245166 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CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000331290590 427392791 /nfs/dbraw/zinc/39/27/91/427392791.db2.gz OXYIYMCDHNZDHA-NOZJJQNGSA-N -1 3 323.817 2.555 20 0 DFADHM COc1cc(CN(C)Cc2nc(C)ccc2[O-])cc(OC)c1 ZINC000271066452 427395886 /nfs/dbraw/zinc/39/58/86/427395886.db2.gz JPFMEOSXLYCEBK-UHFFFAOYSA-N -1 3 302.374 2.745 20 0 DFADHM CCOc1cc(-c2noc(-c3cnn(CC)c3)n2)ccc1[O-] ZINC000278069752 427397566 /nfs/dbraw/zinc/39/75/66/427397566.db2.gz MWKLYYSXBVVFOB-UHFFFAOYSA-N -1 3 300.318 2.724 20 0 DFADHM CCOc1cc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1OC ZINC000263076423 427406432 /nfs/dbraw/zinc/40/64/32/427406432.db2.gz QPVZFWANWGKIHS-GXTWGEPZSA-N -1 3 307.390 2.637 20 0 DFADHM COc1ccccc1OC[C@H](C)C[N-]C(=O)C(F)(F)C(F)F ZINC000271114756 427407138 /nfs/dbraw/zinc/40/71/38/427407138.db2.gz JSINRRKSKDOOCU-SECBINFHSA-N -1 3 323.286 2.727 20 0 DFADHM CC(C)c1nnc(CCC(=O)[N-]OCc2ccc(F)cc2)o1 ZINC000184188558 427414523 /nfs/dbraw/zinc/41/45/23/427414523.db2.gz QWVQFBQVCRPZTN-UHFFFAOYSA-N -1 3 307.325 2.513 20 0 DFADHM CCc1nc(C)c(C(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)o1 ZINC000293712778 427414857 /nfs/dbraw/zinc/41/48/57/427414857.db2.gz UWQMVTINUOASCR-UHFFFAOYSA-N -1 3 324.283 2.863 20 0 DFADHM COc1ccc2nc(CN3C[C@@H](C)C[C@H](C(=O)[O-])C3)sc2c1 ZINC000263109629 427415502 /nfs/dbraw/zinc/41/55/02/427415502.db2.gz YLUDJMJOHDVVNL-QWRGUYRKSA-N -1 3 320.414 2.848 20 0 DFADHM Cc1nc([N-]C(=O)c2csc(-c3ccc(F)c(F)c3)n2)n[nH]1 ZINC000183942670 427361763 /nfs/dbraw/zinc/36/17/63/427361763.db2.gz FXCSDMTZRMBIRN-UHFFFAOYSA-N -1 3 321.312 2.767 20 0 DFADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccsc2)no1 ZINC000331173105 427362289 /nfs/dbraw/zinc/36/22/89/427362289.db2.gz KFIYOJIPXYHJOG-UHFFFAOYSA-N -1 3 300.405 2.976 20 0 DFADHM CC(=O)NC1CN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])C1 ZINC000191491461 427363013 /nfs/dbraw/zinc/36/30/13/427363013.db2.gz UBCGQMNSWIHERG-UHFFFAOYSA-N -1 3 318.417 2.600 20 0 DFADHM C[C@@H](Oc1ccccc1Cl)C(=O)[N-]c1nncn1C1CC1 ZINC000285888978 427364612 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ZINC000340681618 427927767 /nfs/dbraw/zinc/92/77/67/427927767.db2.gz PPVKXYUOPSDUTR-GFCCVEGCSA-N -1 3 323.698 2.692 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCc2ccccc2C1 ZINC000337488066 427928683 /nfs/dbraw/zinc/92/86/83/427928683.db2.gz JXHKQNFAGCYECU-UHFFFAOYSA-N -1 3 310.332 2.686 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCc2ccccc2C1 ZINC000337488066 427928688 /nfs/dbraw/zinc/92/86/88/427928688.db2.gz JXHKQNFAGCYECU-UHFFFAOYSA-N -1 3 310.332 2.686 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCc2ccccc2C1 ZINC000337488066 427928691 /nfs/dbraw/zinc/92/86/91/427928691.db2.gz JXHKQNFAGCYECU-UHFFFAOYSA-N -1 3 310.332 2.686 20 0 DFADHM COC[C@](C)(NCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000340684977 427929597 /nfs/dbraw/zinc/92/95/97/427929597.db2.gz ZCCDPVXRJXJUCM-KRWDZBQOSA-N -1 3 307.390 2.587 20 0 DFADHM C[C@H](CO)CSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000304351517 427931124 /nfs/dbraw/zinc/93/11/24/427931124.db2.gz VOGGHIHKYCFYMK-SECBINFHSA-N -1 3 304.371 2.943 20 0 DFADHM O=C(Nc1ccccc1-n1ccnc1)c1cc(F)cc2[n-]nnc21 ZINC000337499878 427934787 /nfs/dbraw/zinc/93/47/87/427934787.db2.gz JNBQPFPYYWQWLP-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(Nc1ccccc1-n1ccnc1)c1cc(F)cc2nn[n-]c21 ZINC000337499878 427934790 /nfs/dbraw/zinc/93/47/90/427934790.db2.gz JNBQPFPYYWQWLP-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(Nc1ccccc1-n1ccnc1)c1cc(F)cc2n[n-]nc21 ZINC000337499878 427934797 /nfs/dbraw/zinc/93/47/97/427934797.db2.gz JNBQPFPYYWQWLP-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM Cc1nc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)cc2[nH]1 ZINC000340152654 427939665 /nfs/dbraw/zinc/93/96/65/427939665.db2.gz LIHRZNZARKSPHO-UHFFFAOYSA-N -1 3 323.324 2.950 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCCC[C@@H]1CO ZINC000345879248 427939892 /nfs/dbraw/zinc/93/98/92/427939892.db2.gz IPHVIMBPADNCBC-UKRRQHHQSA-N -1 3 309.381 2.521 20 0 DFADHM CCN(Cc1n[nH]c(=O)[n-]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000340903267 427944319 /nfs/dbraw/zinc/94/43/19/427944319.db2.gz NHEVXRCJUUYQFF-AWEZNQCLSA-N -1 3 306.385 2.739 20 0 DFADHM CCc1ccc([O-])c(-c2nc([C@H]3CN(C4CC4)CCO3)no2)c1 ZINC000350566988 427945081 /nfs/dbraw/zinc/94/50/81/427945081.db2.gz KWMDUWZGPJEFGN-OAHLLOKOSA-N -1 3 315.373 2.540 20 0 DFADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCC(C)C)s1 ZINC000340176708 427946202 /nfs/dbraw/zinc/94/62/02/427946202.db2.gz BWYGSZNFOQDQDF-JTQLQIEISA-N -1 3 319.448 2.638 20 0 DFADHM COc1c(F)cc(F)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337535033 427947603 /nfs/dbraw/zinc/94/76/03/427947603.db2.gz VFOBZXYSECAXIK-UHFFFAOYSA-N -1 3 322.246 2.636 20 0 DFADHM COc1c(F)cc(F)cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337535033 427947607 /nfs/dbraw/zinc/94/76/07/427947607.db2.gz VFOBZXYSECAXIK-UHFFFAOYSA-N -1 3 322.246 2.636 20 0 DFADHM COc1c(F)cc(F)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337535033 427947612 /nfs/dbraw/zinc/94/76/12/427947612.db2.gz VFOBZXYSECAXIK-UHFFFAOYSA-N -1 3 322.246 2.636 20 0 DFADHM [O-]c1ccc(-c2noc(Cc3cncnc3)n2)c2ccccc12 ZINC000350583514 427949663 /nfs/dbraw/zinc/94/96/63/427949663.db2.gz NUAGBPCBHPOVDB-UHFFFAOYSA-N -1 3 304.309 2.976 20 0 DFADHM [O-]c1ccc(-c2noc(Cc3ccc4c(c3)OCCO4)n2)cc1 ZINC000350586391 427951772 /nfs/dbraw/zinc/95/17/72/427951772.db2.gz VXLFOBGRSWFIAB-UHFFFAOYSA-N -1 3 310.309 2.804 20 0 DFADHM O=c1[nH]nc(-c2nc(-c3ccc([O-])cc3)no2)c2ccccc12 ZINC000350584904 427951803 /nfs/dbraw/zinc/95/18/03/427951803.db2.gz PYBNZNYYPUHYKC-UHFFFAOYSA-N -1 3 306.281 2.758 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NCC1(O)CCCCCC1 ZINC000305080565 427952272 /nfs/dbraw/zinc/95/22/72/427952272.db2.gz MFWDZEKWFWCSEF-UHFFFAOYSA-N -1 3 311.809 2.790 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2cc(-c3cccs3)[nH]n2)n1 ZINC000345924375 427952890 /nfs/dbraw/zinc/95/28/90/427952890.db2.gz IZRVQNXPMILLJQ-UHFFFAOYSA-N -1 3 300.343 2.800 20 0 DFADHM CC1(C)Cc2ccc(-c3nc(-c4ccncn4)no3)c([O-])c2O1 ZINC000350592746 427953058 /nfs/dbraw/zinc/95/30/58/427953058.db2.gz ZNCDJSYUNOBFCA-UHFFFAOYSA-N -1 3 310.313 2.613 20 0 DFADHM CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ncccc1[O-] ZINC000359836051 428036163 /nfs/dbraw/zinc/03/61/63/428036163.db2.gz UEZZOLJUSMWCMR-UHFFFAOYSA-N -1 3 316.748 2.903 20 0 DFADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c1 ZINC000356134365 428036596 /nfs/dbraw/zinc/03/65/96/428036596.db2.gz RKTDODMQHNMUNA-ZDUSSCGKSA-N -1 3 311.451 2.540 20 0 DFADHM CCc1cc(C(=O)N2CCOC[C@H]2CC2CCC2)ccc1[O-] ZINC000341381566 428054007 /nfs/dbraw/zinc/05/40/07/428054007.db2.gz FDOUENSBULSXOR-MRXNPFEDSA-N -1 3 303.402 2.986 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccn(C)n3)nc2)n1 ZINC000413464649 428054041 /nfs/dbraw/zinc/05/40/41/428054041.db2.gz SNUGMQKUFDKAFK-LLVKDONJSA-N -1 3 324.388 2.713 20 0 DFADHM Cc1cc(O[C@H](C)C(=O)[N-]c2nncn2C2CC2)ccc1Cl ZINC000356180538 428054772 /nfs/dbraw/zinc/05/47/72/428054772.db2.gz KQZZHTVWYIKAIW-SNVBAGLBSA-N -1 3 320.780 2.981 20 0 DFADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccs2)[C@@H](C)[C@@H]1OC ZINC000356071961 428011038 /nfs/dbraw/zinc/01/10/38/428011038.db2.gz PWIAGIHRLCYVJW-RTXFEEFZSA-N -1 3 317.476 2.866 20 0 DFADHM COc1ccc(-c2nc(-c3ccn4cncc4c3)no2)c([O-])c1 ZINC000351112812 428015230 /nfs/dbraw/zinc/01/52/30/428015230.db2.gz XRTBMNVXHXVYFG-UHFFFAOYSA-N -1 3 308.297 2.766 20 0 DFADHM CC(=O)N[C@@H]1CCCN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000356085699 428016285 /nfs/dbraw/zinc/01/62/85/428016285.db2.gz MJRLFHMTUAHRAW-CYBMUJFWSA-N -1 3 316.323 2.512 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2cn(-c3ccccc3)nc2C)c[n-]1 ZINC000346101051 428019770 /nfs/dbraw/zinc/01/97/70/428019770.db2.gz YFZUEAZFHBFWAA-UHFFFAOYSA-N -1 3 324.340 2.548 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]CCC(F)(F)F)c(Cl)c1 ZINC000341461986 428074573 /nfs/dbraw/zinc/07/45/73/428074573.db2.gz HWKIVQOSXQDVIS-UHFFFAOYSA-N -1 3 317.716 2.579 20 0 DFADHM COC(=O)C(C)(C)N(C)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356222767 428074792 /nfs/dbraw/zinc/07/47/92/428074792.db2.gz QLKPAUXDXTWEQO-UHFFFAOYSA-N -1 3 305.296 2.794 20 0 DFADHM CN(C(=O)c1c[n-]c2ccncc2c1=O)[C@H]1CCc2ccccc21 ZINC000341465079 428075315 /nfs/dbraw/zinc/07/53/15/428075315.db2.gz RRFISMSYRCIZJF-KRWDZBQOSA-N -1 3 319.364 2.683 20 0 DFADHM O=c1cc(-c2noc(-c3ccn(C4CCCCC4)n3)n2)nc[n-]1 ZINC000351371540 428076654 /nfs/dbraw/zinc/07/66/54/428076654.db2.gz NNQPXPLHVVFZQT-UHFFFAOYSA-N -1 3 312.333 2.601 20 0 DFADHM CCOc1nc2ccc(C(=O)Nc3ncc(C)s3)cc2[n-]1 ZINC000346216900 428076826 /nfs/dbraw/zinc/07/68/26/428076826.db2.gz IBMGRUVNBFESGD-UHFFFAOYSA-N -1 3 302.359 2.979 20 0 DFADHM CCOc1nc2cc(C(=O)Nc3ncc(C)s3)ccc2[n-]1 ZINC000346216900 428076830 /nfs/dbraw/zinc/07/68/30/428076830.db2.gz IBMGRUVNBFESGD-UHFFFAOYSA-N -1 3 302.359 2.979 20 0 DFADHM CCc1cccc(-c2nc(COC[C@@H]3CCOC3)no2)c1[O-] ZINC000351405385 428084662 /nfs/dbraw/zinc/08/46/62/428084662.db2.gz JPOWFUIJKAWKGF-LLVKDONJSA-N -1 3 304.346 2.558 20 0 DFADHM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000377340526 428108388 /nfs/dbraw/zinc/10/83/88/428108388.db2.gz WFEBURPKKVEGNW-QLJPJBMISA-N -1 3 316.332 2.853 20 0 DFADHM C[C@H](CCC(C)(C)C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000351726488 428108953 /nfs/dbraw/zinc/10/89/53/428108953.db2.gz FGTKVTSLKDITRO-LLVKDONJSA-N -1 3 303.410 3.211 20 0 DFADHM C[C@H](CCC(C)(C)C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000351726488 428108957 /nfs/dbraw/zinc/10/89/57/428108957.db2.gz FGTKVTSLKDITRO-LLVKDONJSA-N -1 3 303.410 3.211 20 0 DFADHM Cc1ccc(NCc2c(F)ccc([O-])c2F)cc1-n1cnnn1 ZINC000351856063 428113945 /nfs/dbraw/zinc/11/39/45/428113945.db2.gz HBLXKOHZJWOPBL-UHFFFAOYSA-N -1 3 317.299 2.567 20 0 DFADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000377382032 428114890 /nfs/dbraw/zinc/11/48/90/428114890.db2.gz KEAIXXIIBLCFFG-BDJLRTHQSA-N -1 3 321.373 2.767 20 0 DFADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000377382035 428115930 /nfs/dbraw/zinc/11/59/30/428115930.db2.gz KEAIXXIIBLCFFG-MEDUHNTESA-N -1 3 321.373 2.767 20 0 DFADHM C[C@H]1COCCN(Cc2cc([O-])ccc2Br)C1 ZINC000370053046 428119909 /nfs/dbraw/zinc/11/99/09/428119909.db2.gz LLODUYZKQHRIKD-SNVBAGLBSA-N -1 3 300.196 2.623 20 0 DFADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000346318776 428122217 /nfs/dbraw/zinc/12/22/17/428122217.db2.gz KFWXDTSTPQIMFY-VXNVDRBHSA-N -1 3 322.199 2.665 20 0 DFADHM O=[S@](Cc1noc(-c2ccc(F)cc2)n1)c1cccc([O-])c1 ZINC000377133204 428066824 /nfs/dbraw/zinc/06/68/24/428066824.db2.gz LOOZQPSNARAZQZ-JOCHJYFZSA-N -1 3 318.329 2.889 20 0 DFADHM CCn1c(=O)[n-]nc1SCc1nnc(-c2ccc(C)cc2)o1 ZINC000356331118 428130708 /nfs/dbraw/zinc/13/07/08/428130708.db2.gz VEIHREJKMCVOIP-UHFFFAOYSA-N -1 3 317.374 2.654 20 0 DFADHM [O-]c1cc(CN2CCOCC(F)(F)C2)cc(C(F)(F)F)c1 ZINC000356353153 428138013 /nfs/dbraw/zinc/13/80/13/428138013.db2.gz ZMMSSAYJLODSTE-UHFFFAOYSA-N -1 3 311.250 2.879 20 0 DFADHM C[C@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2cncc(F)c2)C1 ZINC000360071283 428146050 /nfs/dbraw/zinc/14/60/50/428146050.db2.gz ZDHZIJJOSLHGAG-RYUDHWBXSA-N -1 3 300.399 2.715 20 0 DFADHM Cc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)c([O-])c1 ZINC000413990824 428182672 /nfs/dbraw/zinc/18/26/72/428182672.db2.gz ZPUZTLCXPFLONV-INIZCTEOSA-N -1 3 303.402 2.978 20 0 DFADHM COc1nc(NC(=O)CCCc2ccc3ccccc3c2)n[n-]1 ZINC000352649318 428183283 /nfs/dbraw/zinc/18/32/83/428183283.db2.gz ZGKXJKSWEGOSPA-UHFFFAOYSA-N -1 3 310.357 2.928 20 0 DFADHM COc1nnc(NC(=O)CCCc2ccc3ccccc3c2)[n-]1 ZINC000352649318 428183287 /nfs/dbraw/zinc/18/32/87/428183287.db2.gz ZGKXJKSWEGOSPA-UHFFFAOYSA-N -1 3 310.357 2.928 20 0 DFADHM COc1n[n-]c(NC(=O)CCCc2ccc3ccccc3c2)n1 ZINC000352649318 428183290 /nfs/dbraw/zinc/18/32/90/428183290.db2.gz ZGKXJKSWEGOSPA-UHFFFAOYSA-N -1 3 310.357 2.928 20 0 DFADHM Cc1ccnc(C2CCN(C(=O)c3cccc(C)c3[O-])CC2)n1 ZINC000370324052 428184420 /nfs/dbraw/zinc/18/44/20/428184420.db2.gz IKRGWSRAZRCEQO-UHFFFAOYSA-N -1 3 311.385 2.819 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000377655963 428184790 /nfs/dbraw/zinc/18/47/90/428184790.db2.gz WYENBLYWMPJWIE-GXTWGEPZSA-N -1 3 324.340 2.924 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000377655963 428184794 /nfs/dbraw/zinc/18/47/94/428184794.db2.gz WYENBLYWMPJWIE-GXTWGEPZSA-N -1 3 324.340 2.924 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000377655963 428184797 /nfs/dbraw/zinc/18/47/97/428184797.db2.gz WYENBLYWMPJWIE-GXTWGEPZSA-N -1 3 324.340 2.924 20 0 DFADHM [O-]c1ccc(-c2noc([C@@H]3CCCN(c4ncccn4)C3)n2)cc1 ZINC000377592975 428165059 /nfs/dbraw/zinc/16/50/59/428165059.db2.gz KFIMIBMZSFJDRO-CYBMUJFWSA-N -1 3 323.356 2.616 20 0 DFADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)CCCC(C)C ZINC000346434441 428169845 /nfs/dbraw/zinc/16/98/45/428169845.db2.gz SPPMQMOSCWCYAX-ZDUSSCGKSA-N -1 3 314.451 2.973 20 0 DFADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCCCC1 ZINC000346439886 428171075 /nfs/dbraw/zinc/17/10/75/428171075.db2.gz IGLBDSNLNXUONZ-UONOGXRCSA-N -1 3 324.446 2.727 20 0 DFADHM [O-]c1ccc(CCCc2nc(Cc3ccon3)no2)cc1F ZINC000346437834 428172692 /nfs/dbraw/zinc/17/26/92/428172692.db2.gz GGOATUYKWKSMPV-UHFFFAOYSA-N -1 3 303.293 2.668 20 0 DFADHM CCC[C@](C)(CC)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000356434558 428176459 /nfs/dbraw/zinc/17/64/59/428176459.db2.gz PKEXFOYJRZWCMB-INIZCTEOSA-N -1 3 301.394 2.945 20 0 DFADHM CCC[C@](C)(CC)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000356434558 428176463 /nfs/dbraw/zinc/17/64/63/428176463.db2.gz PKEXFOYJRZWCMB-INIZCTEOSA-N -1 3 301.394 2.945 20 0 DFADHM Cc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2C(C)C)c([O-])c1 ZINC000413990827 428182119 /nfs/dbraw/zinc/18/21/19/428182119.db2.gz ZPUZTLCXPFLONV-MRXNPFEDSA-N -1 3 303.402 2.978 20 0 DFADHM Cc1cc(C(=O)NCC(C)(C)c2ccccc2Cl)[n-]c(=O)n1 ZINC000341798221 428206008 /nfs/dbraw/zinc/20/60/08/428206008.db2.gz IFZCHRZBELVVGW-UHFFFAOYSA-N -1 3 319.792 2.852 20 0 DFADHM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1ccc(F)cc1 ZINC000352728378 428221719 /nfs/dbraw/zinc/22/17/19/428221719.db2.gz HWTUTZMIEKGBOP-UHFFFAOYSA-N -1 3 315.316 2.896 20 0 DFADHM Cn1nccc1Cc1noc(-c2cc([O-])ccc2C(F)(F)F)n1 ZINC000346573759 428224184 /nfs/dbraw/zinc/22/41/84/428224184.db2.gz SEABHTVBFLMWNV-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/99/36/97/428993697.db2.gz VVLYXHHXMVMLPP-LBPRGKRZSA-N -1 3 319.401 2.513 20 0 DFADHM Cc1ccnn1-c1cccc(NC([O-])=NOCc2cccnc2)c1 ZINC000363850071 428995985 /nfs/dbraw/zinc/99/59/85/428995985.db2.gz GVEQHOGEVKGLHF-UHFFFAOYSA-N -1 3 323.356 2.829 20 0 DFADHM Cc1ccnn1-c1cccc(NC(=O)[N-]OCc2cccnc2)c1 ZINC000363850071 428995994 /nfs/dbraw/zinc/99/59/94/428995994.db2.gz GVEQHOGEVKGLHF-UHFFFAOYSA-N -1 3 323.356 2.829 20 0 DFADHM CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000423706827 428999710 /nfs/dbraw/zinc/99/97/10/428999710.db2.gz CIVRXLAKPFIYKF-CKUKBARFSA-N -1 3 324.808 2.517 20 0 DFADHM CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(Cl)cc2[O-])C1(C)C ZINC000423705974 428999818 /nfs/dbraw/zinc/99/98/18/428999818.db2.gz ALFXOERHVCWZGP-IUODEOHRSA-N -1 3 312.797 2.517 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000451854826 429000405 /nfs/dbraw/zinc/00/04/05/429000405.db2.gz NWDPHQZFRPYVKR-GXTWGEPZSA-N -1 3 319.492 2.624 20 0 DFADHM CC[C@H](NC(=O)c1csc(=O)[n-]1)c1nc2ccccc2[nH]1 ZINC000349530715 429002477 /nfs/dbraw/zinc/00/24/77/429002477.db2.gz VSHBOIHPBKARRZ-QMMMGPOBSA-N -1 3 302.359 2.606 20 0 DFADHM CCO[C@H]1C[C@](N)(C(=O)Nc2cccc(Cl)c2[O-])C1(C)C ZINC000423753816 429009702 /nfs/dbraw/zinc/00/97/02/429009702.db2.gz HMHIJGADCMAUKK-NHYWBVRUSA-N -1 3 312.797 2.517 20 0 DFADHM O=C(Nc1ccccc1-n1cccn1)c1cc(F)cc2[n-]nnc21 ZINC000433226213 429013340 /nfs/dbraw/zinc/01/33/40/429013340.db2.gz FQWQGHPXRHHEEC-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(Nc1ccccc1-n1cccn1)c1cc(F)cc2nn[n-]c21 ZINC000433226213 429013346 /nfs/dbraw/zinc/01/33/46/429013346.db2.gz FQWQGHPXRHHEEC-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(Nc1ccccc1-n1cccn1)c1cc(F)cc2n[n-]nc21 ZINC000433226213 429013352 /nfs/dbraw/zinc/01/33/52/429013352.db2.gz FQWQGHPXRHHEEC-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C1C[C@H](c2cccc(NCc3cc([O-])cc(F)c3)c2)CN1 ZINC000349609330 429013400 /nfs/dbraw/zinc/01/34/00/429013400.db2.gz JALLBDUSZVXUFF-ZDUSSCGKSA-N -1 3 300.333 2.747 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCOCC2CCCC2)cc1[O-] ZINC000412412530 429036947 /nfs/dbraw/zinc/03/69/47/429036947.db2.gz ADBVUCXYSSFEKD-UHFFFAOYSA-N -1 3 305.374 2.531 20 0 DFADHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1cccc(Cl)c1F ZINC000452013237 429040239 /nfs/dbraw/zinc/04/02/39/429040239.db2.gz GMSAUYYFWFCXMA-JTQLQIEISA-N -1 3 321.801 2.574 20 0 DFADHM C[C@H]1C[C@@H](O)CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000452126582 429066372 /nfs/dbraw/zinc/06/63/72/429066372.db2.gz QYLXSCBTJYOQOZ-BBRMVZONSA-N -1 3 313.397 2.850 20 0 DFADHM CCc1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1F ZINC000424061973 429086113 /nfs/dbraw/zinc/08/61/13/429086113.db2.gz KALVZGZSMXTKIX-UHFFFAOYSA-N -1 3 301.383 2.556 20 0 DFADHM Cc1csc([C@H]([N-]C(=O)[C@@H]2CC2(F)F)C(F)(F)F)n1 ZINC000452235753 429086992 /nfs/dbraw/zinc/08/69/92/429086992.db2.gz NOKFYHPXMWHDLN-WDSKDSINSA-N -1 3 300.252 2.826 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)cc1 ZINC000363991554 429152576 /nfs/dbraw/zinc/15/25/76/429152576.db2.gz ZCLMUDXMTRODBU-UHFFFAOYSA-N -1 3 316.426 2.784 20 0 DFADHM CCc1ccnc(C[N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000435634208 429155432 /nfs/dbraw/zinc/15/54/32/429155432.db2.gz FXJWTHXTYOZFKH-UHFFFAOYSA-N -1 3 308.378 2.570 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCCN(c2ccccc2F)CC1 ZINC000376423124 429111706 /nfs/dbraw/zinc/11/17/06/429111706.db2.gz DQEACPWQTVLXGH-UHFFFAOYSA-N -1 3 314.360 2.884 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@@H](CO)C1 ZINC000412934414 429112279 /nfs/dbraw/zinc/11/22/79/429112279.db2.gz LBKACAQWZCVQTA-ZIAGYGMSSA-N -1 3 309.381 2.521 20 0 DFADHM COc1cc(C(=O)N2CCC3(CCC3)CC2)cc(OC)c1[O-] ZINC000376435612 429112358 /nfs/dbraw/zinc/11/23/58/429112358.db2.gz LJUKUZDSIMFDES-UHFFFAOYSA-N -1 3 305.374 2.816 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H]3C3CC3)c[n-]c12 ZINC000452496895 429121240 /nfs/dbraw/zinc/12/12/40/429121240.db2.gz IAAGVDLSXSARDN-AWEZNQCLSA-N -1 3 300.333 2.600 20 0 DFADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000452534711 429126068 /nfs/dbraw/zinc/12/60/68/429126068.db2.gz VNAQIZVJRBKXOP-CHWSQXEVSA-N -1 3 304.390 2.907 20 0 DFADHM C[C@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)[C@H]1C(=O)[O-] ZINC000424418883 429137780 /nfs/dbraw/zinc/13/77/80/429137780.db2.gz NYJQHSLGQVHQRB-BLLLJJGKSA-N -1 3 317.364 2.697 20 0 DFADHM [O-]c1ccc(F)c(CNC[C@]2(O)CCc3ccccc32)c1F ZINC000293632665 275060925 /nfs/dbraw/zinc/06/09/25/275060925.db2.gz NHQZMKYAGRKGMZ-QGZVFWFLSA-N -1 3 305.324 2.594 20 0 DFADHM Cc1cc(Cc2noc(/C=C/c3cccc([O-])c3)n2)nc(C)n1 ZINC000435958172 429174436 /nfs/dbraw/zinc/17/44/36/429174436.db2.gz MWWXZFWOFAJKJX-VOTSOKGWSA-N -1 3 308.341 2.943 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OCC[C@@H]2CCCCO2)cc1[O-] ZINC000495063268 429175299 /nfs/dbraw/zinc/17/52/99/429175299.db2.gz BVUGGWGJCWWJEI-LBPRGKRZSA-N -1 3 323.345 2.687 20 0 DFADHM Cc1ccc([C@H]2C[C@H]2C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000424711098 429179799 /nfs/dbraw/zinc/17/97/99/429179799.db2.gz BQIRATVSYSYRQE-NXEZZACHSA-N -1 3 310.279 2.874 20 0 DFADHM Cc1ccc([C@H]2C[C@H]2C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000424711098 429179800 /nfs/dbraw/zinc/17/98/00/429179800.db2.gz BQIRATVSYSYRQE-NXEZZACHSA-N -1 3 310.279 2.874 20 0 DFADHM CC(C)[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000436073779 429180614 /nfs/dbraw/zinc/18/06/14/429180614.db2.gz CTMDWILLNNBMBQ-HNNXBMFYSA-N -1 3 322.372 2.640 20 0 DFADHM CC(C)[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000436073779 429180617 /nfs/dbraw/zinc/18/06/17/429180617.db2.gz CTMDWILLNNBMBQ-HNNXBMFYSA-N -1 3 322.372 2.640 20 0 DFADHM Cc1cncc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000488660501 429187424 /nfs/dbraw/zinc/18/74/24/429187424.db2.gz SJLGJLSPMWWASS-UHFFFAOYSA-N -1 3 321.174 2.788 20 0 DFADHM CN(CC(F)F)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000436320684 429195088 /nfs/dbraw/zinc/19/50/88/429195088.db2.gz UYGSWUTYDBINQB-UHFFFAOYSA-N -1 3 319.307 2.960 20 0 DFADHM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000488962734 429211201 /nfs/dbraw/zinc/21/12/01/429211201.db2.gz POLYSMKVXOCCFR-ZDUSSCGKSA-N -1 3 321.384 2.992 20 0 DFADHM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000488962734 429211204 /nfs/dbraw/zinc/21/12/04/429211204.db2.gz POLYSMKVXOCCFR-ZDUSSCGKSA-N -1 3 321.384 2.992 20 0 DFADHM CC1(C)CC=C(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000456025215 429232654 /nfs/dbraw/zinc/23/26/54/429232654.db2.gz PHYXBEDWKHBQHW-UHFFFAOYSA-N -1 3 302.300 2.576 20 0 DFADHM CC1(C)CC=C(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000456025215 429232659 /nfs/dbraw/zinc/23/26/59/429232659.db2.gz PHYXBEDWKHBQHW-UHFFFAOYSA-N -1 3 302.300 2.576 20 0 DFADHM CC1(C)CC=C(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000456025215 429232664 /nfs/dbraw/zinc/23/26/64/429232664.db2.gz PHYXBEDWKHBQHW-UHFFFAOYSA-N -1 3 302.300 2.576 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)[N-]OC[C@@H]2CCOC2)o1 ZINC000364545724 429221686 /nfs/dbraw/zinc/22/16/86/429221686.db2.gz JRWOGFSNGGTSBD-RKQHYHRCSA-N -1 3 305.374 2.591 20 0 DFADHM CN1C[C@@H]2CCCN(C(=O)c3cc4ccccc4cc3[O-])[C@@H]2C1 ZINC000425059281 429228880 /nfs/dbraw/zinc/22/88/80/429228880.db2.gz RBNAUKXQXBGNGA-DOTOQJQBSA-N -1 3 310.397 2.712 20 0 DFADHM CCCCc1nnc(NC(=O)c2ccc([O-])c(CC)c2)s1 ZINC000436867433 429202093 /nfs/dbraw/zinc/20/20/93/429202093.db2.gz CFVBADGDSZHRSG-UHFFFAOYSA-N -1 3 305.403 3.401 20 0 DFADHM CCCCCc1nnc(NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000436901438 429202266 /nfs/dbraw/zinc/20/22/66/429202266.db2.gz MPHYSRGUIYHINE-UHFFFAOYSA-N -1 3 305.403 3.537 20 0 DFADHM [O-]c1cncc(/C=C\c2nc(-c3ccc4c(c3)OCCO4)no2)c1 ZINC000445187995 429283312 /nfs/dbraw/zinc/28/33/12/429283312.db2.gz KTWQEPVKYLNELQ-RJRFIUFISA-N -1 3 323.308 2.779 20 0 DFADHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000490332160 429285383 /nfs/dbraw/zinc/28/53/83/429285383.db2.gz MBFVKAAIMNQQNF-UHFFFAOYSA-N -1 3 303.742 2.859 20 0 DFADHM CCn1ccnc1[C@@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000456356490 429285405 /nfs/dbraw/zinc/28/54/05/429285405.db2.gz PBDMURUBIPHZHO-SNVBAGLBSA-N -1 3 307.781 2.682 20 0 DFADHM CCn1ccnc1[C@@H](C)NC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000456357746 429286027 /nfs/dbraw/zinc/28/60/27/429286027.db2.gz PROBIDAFVNDHLX-GFCCVEGCSA-N -1 3 324.384 2.544 20 0 DFADHM O=C(c1cccc([O-])c1)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425114369 429234605 /nfs/dbraw/zinc/23/46/05/429234605.db2.gz AXPJIPQESTWHHE-INIZCTEOSA-N -1 3 301.386 2.814 20 0 DFADHM C[C@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CCOC1 ZINC000442817287 429237734 /nfs/dbraw/zinc/23/77/34/429237734.db2.gz ZEDDFDJZHHXMIO-LBPRGKRZSA-N -1 3 305.252 2.656 20 0 DFADHM COc1cc(C(=O)NC[C@H]2CCO[C@H](C(C)C)C2)ccc1[O-] ZINC000456130189 429245585 /nfs/dbraw/zinc/24/55/85/429245585.db2.gz CNANUNKQYMNMRX-WFASDCNBSA-N -1 3 307.390 2.582 20 0 DFADHM C[C@H](CCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)CC(C)(C)C ZINC000443389805 429248161 /nfs/dbraw/zinc/24/81/61/429248161.db2.gz NRNGLGASCORYHA-LLVKDONJSA-N -1 3 316.401 2.762 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000364703494 429253724 /nfs/dbraw/zinc/25/37/24/429253724.db2.gz QHBBLGOLOOSERV-UHFFFAOYSA-N -1 3 305.765 2.719 20 0 DFADHM COc1nc(NC(=O)C[C@H]2C[C@@H](C)c3c2cccc3C)n[n-]1 ZINC000489963554 429271150 /nfs/dbraw/zinc/27/11/50/429271150.db2.gz JZCGKTBNGGBXOQ-GHMZBOCLSA-N -1 3 300.362 2.741 20 0 DFADHM COc1nnc(NC(=O)C[C@H]2C[C@@H](C)c3c2cccc3C)[n-]1 ZINC000489963554 429271154 /nfs/dbraw/zinc/27/11/54/429271154.db2.gz JZCGKTBNGGBXOQ-GHMZBOCLSA-N -1 3 300.362 2.741 20 0 DFADHM COc1n[n-]c(NC(=O)C[C@H]2C[C@@H](C)c3c2cccc3C)n1 ZINC000489963554 429271159 /nfs/dbraw/zinc/27/11/59/429271159.db2.gz JZCGKTBNGGBXOQ-GHMZBOCLSA-N -1 3 300.362 2.741 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000495825721 429275019 /nfs/dbraw/zinc/27/50/19/429275019.db2.gz AEHWRGWOGBZRIF-VXGBXAGGSA-N -1 3 302.415 2.774 20 0 DFADHM COC(=O)[C@H]1CCCCCN1C(=O)c1ccc(SC)cc1[O-] ZINC000365204707 429278967 /nfs/dbraw/zinc/27/89/67/429278967.db2.gz QLDGZNNZYXTVNJ-CYBMUJFWSA-N -1 3 323.414 2.672 20 0 DFADHM CO[C@H]([C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000456546619 429322030 /nfs/dbraw/zinc/32/20/30/429322030.db2.gz FXWWBJHWXUWINE-APPDUMDISA-N -1 3 309.381 2.784 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1CCC[C@H](F)C1 ZINC000425592792 429325590 /nfs/dbraw/zinc/32/55/90/429325590.db2.gz VQLBSLNGNLZYCE-UWVGGRQHSA-N -1 3 312.341 2.881 20 0 DFADHM CCn1cc([C@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)cn1 ZINC000456687155 429336884 /nfs/dbraw/zinc/33/68/84/429336884.db2.gz CGIXNHZHCRQNCJ-LBPRGKRZSA-N -1 3 313.401 2.978 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OCc1ccccc1)c1ccco1 ZINC000445735215 429290029 /nfs/dbraw/zinc/29/00/29/429290029.db2.gz OOEMNMWAJHMXDI-HUUCEWRRSA-N -1 3 321.398 2.696 20 0 DFADHM Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccccc2[O-])n1 ZINC000365317372 429301559 /nfs/dbraw/zinc/30/15/59/429301559.db2.gz KSXODXOVLCCFAO-HNNXBMFYSA-N -1 3 313.401 2.900 20 0 DFADHM CC[C@H](C)N1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000456523657 429317713 /nfs/dbraw/zinc/31/77/13/429317713.db2.gz FMBJBQUWQGVFPG-LBPRGKRZSA-N -1 3 310.825 2.531 20 0 DFADHM COC[C@@H](Cc1ccccc1)N(C)Cc1cc(C(=O)[O-])oc1C ZINC000517750343 429398061 /nfs/dbraw/zinc/39/80/61/429398061.db2.gz DBLCUMXHUZTOOI-MRXNPFEDSA-N -1 3 317.385 2.976 20 0 DFADHM CCOC(=O)C1(C)CCN(C(=O)c2ccc([O-])c(CC)c2)CC1 ZINC000365898931 429399684 /nfs/dbraw/zinc/39/96/84/429399684.db2.gz WZSIMCDUZSLBDI-UHFFFAOYSA-N -1 3 319.401 2.760 20 0 DFADHM CCc1cc(C(=O)N2CCCCC[C@@H]2C(=O)OC)ccc1[O-] ZINC000365897579 429400321 /nfs/dbraw/zinc/40/03/21/429400321.db2.gz RPSMHRYLWNWMFD-CQSZACIVSA-N -1 3 305.374 2.512 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H](CCCO)C1 ZINC000457114900 429405509 /nfs/dbraw/zinc/40/55/09/429405509.db2.gz MMGLZDZSXCFYQM-ZDUSSCGKSA-N -1 3 303.402 2.506 20 0 DFADHM O=C([O-])[C@H](Cc1ccc(O)cc1)NCc1ccsc1Cl ZINC000426653367 429405978 /nfs/dbraw/zinc/40/59/78/429405978.db2.gz AYCHYJDLYCGMBA-LBPRGKRZSA-N -1 3 311.790 2.893 20 0 DFADHM CCOCC(C)(C)CNC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000426645427 429406353 /nfs/dbraw/zinc/40/63/53/429406353.db2.gz ZYUBMEWADACSBU-UHFFFAOYSA-N -1 3 319.405 2.754 20 0 DFADHM CCOCC(C)(C)CNC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000426645427 429406356 /nfs/dbraw/zinc/40/63/56/429406356.db2.gz ZYUBMEWADACSBU-UHFFFAOYSA-N -1 3 319.405 2.754 20 0 DFADHM Cc1ccc(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000426652781 429406419 /nfs/dbraw/zinc/40/64/19/429406419.db2.gz XEKPWOXDVIOVFN-INIZCTEOSA-N -1 3 303.333 2.756 20 0 DFADHM CC[C@@H](CNCc1nc2cc(Cl)ccc2n1C)CC(=O)[O-] ZINC000426648779 429406425 /nfs/dbraw/zinc/40/64/25/429406425.db2.gz UPVABEBSFLYZDW-SNVBAGLBSA-N -1 3 309.797 2.817 20 0 DFADHM Cc1ccc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])cc1F ZINC000426653254 429407141 /nfs/dbraw/zinc/40/71/41/429407141.db2.gz ZSDIOYWPWOYLQW-MRXNPFEDSA-N -1 3 321.323 2.895 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NCCOCC1CCCC1 ZINC000457135221 429409468 /nfs/dbraw/zinc/40/94/68/429409468.db2.gz ORSPHZJPMKUGOQ-UHFFFAOYSA-N -1 3 311.809 2.911 20 0 DFADHM NC(=O)[N-]C(=O)OCCCSc1ccc2ccccc2n1 ZINC000491366977 429353439 /nfs/dbraw/zinc/35/34/39/429353439.db2.gz 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429378660 /nfs/dbraw/zinc/37/86/60/429378660.db2.gz UZJGWRBQSYJNAF-CZUORRHYSA-N -1 3 313.397 2.707 20 0 DFADHM CCc1cc(C(=O)N2CCN[C@@H](c3ccccc3)C2)ccc1[O-] ZINC000457019545 429380261 /nfs/dbraw/zinc/38/02/61/429380261.db2.gz LFTWDZGCYCMFDA-QGZVFWFLSA-N -1 3 310.397 2.741 20 0 DFADHM O=C([O-])COc1ccc(CCNCc2ccccc2F)cc1 ZINC000426699672 429410569 /nfs/dbraw/zinc/41/05/69/429410569.db2.gz LCJDVKQCVOBKGT-UHFFFAOYSA-N -1 3 303.333 2.621 20 0 DFADHM O=C([N-]c1cc(-c2ccc3ncccc3c2)on1)c1ccon1 ZINC000366240251 429438732 /nfs/dbraw/zinc/43/87/32/429438732.db2.gz APKYAHMOPLVSFR-UHFFFAOYSA-N -1 3 306.281 3.130 20 0 DFADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC[C@H](CO)C3)c2c1 ZINC000518985018 429440787 /nfs/dbraw/zinc/44/07/87/429440787.db2.gz LSLQBZQCFDBSHU-ZDUSSCGKSA-N -1 3 314.385 2.759 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000366253864 429441938 /nfs/dbraw/zinc/44/19/38/429441938.db2.gz MLSKJIBITBAWEO-MRXNPFEDSA-N -1 3 316.382 2.510 20 0 DFADHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)/C=C/c1cncc([O-])c1 ZINC000491973285 429444518 /nfs/dbraw/zinc/44/45/18/429444518.db2.gz PDINUCUQPLTAOP-AAOUONPWSA-N -1 3 314.307 2.990 20 0 DFADHM CC(C)O[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000519159466 429450380 /nfs/dbraw/zinc/45/03/80/429450380.db2.gz PRWACRDTWLKODK-OAHLLOKOSA-N -1 3 303.402 2.911 20 0 DFADHM Cc1ncc(CNC(=O)C[C@H](C)c2c[nH]c3ccccc32)c(=O)[n-]1 ZINC000427482640 429452527 /nfs/dbraw/zinc/45/25/27/429452527.db2.gz ZUDUHJBKHFXNIL-NSHDSACASA-N -1 3 324.384 2.782 20 0 DFADHM COc1ccc(NC(=O)/C=C\c2ccc3c(c2)CCO3)c([O-])c1 ZINC000492018969 429453074 /nfs/dbraw/zinc/45/30/74/429453074.db2.gz NMQTUTNOQHOVDC-CLTKARDFSA-N -1 3 311.337 2.988 20 0 DFADHM O=C(/C=C\c1ccccc1-n1cccn1)[N-]OCc1cccnc1 ZINC000492038052 429455996 /nfs/dbraw/zinc/45/59/96/429455996.db2.gz FQCFZVNWWZJPLC-HJWRWDBZSA-N -1 3 320.352 2.529 20 0 DFADHM C[C@@H](Cc1cccc(O)c1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000427637010 429461894 /nfs/dbraw/zinc/46/18/94/429461894.db2.gz NNRCTTPRXPTXEX-LBPRGKRZSA-N -1 3 322.364 2.595 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)/C=C/C2CCC2)c1 ZINC000492086035 429465541 /nfs/dbraw/zinc/46/55/41/429465541.db2.gz LPQWOEYEPZQPAH-VQHVLOKHSA-N -1 3 308.403 2.661 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCc2occc2C1 ZINC000366511715 429466920 /nfs/dbraw/zinc/46/69/20/429466920.db2.gz HEEISGJHVMZVRX-UHFFFAOYSA-N -1 3 308.337 2.710 20 0 DFADHM CCN(Cc1ccc(C(=O)N(C)CCCC(=O)[O-])cc1)C1CC1 ZINC000427755150 429469583 /nfs/dbraw/zinc/46/95/83/429469583.db2.gz DHJLZFTZWBUPDP-UHFFFAOYSA-N -1 3 318.417 2.608 20 0 DFADHM O=C([O-])[C@H](Cc1ccc(F)cc1)NCc1cc(F)ccc1F ZINC000426727039 429411927 /nfs/dbraw/zinc/41/19/27/429411927.db2.gz MDUDISISPKAMGT-HNNXBMFYSA-N -1 3 309.287 2.889 20 0 DFADHM CCCCOc1ccc(C(=O)N2CC[C@@H](CCCO)C2)c([O-])c1 ZINC000457146941 429413315 /nfs/dbraw/zinc/41/33/15/429413315.db2.gz PQIPHVQOYPKAEJ-CQSZACIVSA-N -1 3 321.417 2.806 20 0 DFADHM Cc1cc(C)cc([C@@H](NCc2cnn(C(C)C)c2)C(=O)[O-])c1 ZINC000426752666 429413530 /nfs/dbraw/zinc/41/35/30/429413530.db2.gz AWBISQHXRDOULC-MRXNPFEDSA-N -1 3 301.390 2.996 20 0 DFADHM C[C@H](NCc1ncccc1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000518439554 429421792 /nfs/dbraw/zinc/42/17/92/429421792.db2.gz CJNBFNYHRUTWRQ-LBPRGKRZSA-N -1 3 311.385 2.987 20 0 DFADHM C[C@@H](NCc1ncccc1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000518439553 429422070 /nfs/dbraw/zinc/42/20/70/429422070.db2.gz CJNBFNYHRUTWRQ-GFCCVEGCSA-N -1 3 311.385 2.987 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H](c3nccn3C)C2)ccc1[O-] ZINC000366133895 429424368 /nfs/dbraw/zinc/42/43/68/429424368.db2.gz KBIAQVDXVPOZQQ-HNNXBMFYSA-N -1 3 313.401 2.708 20 0 DFADHM COc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)[n-]1 ZINC000426934051 429426335 /nfs/dbraw/zinc/42/63/35/429426335.db2.gz WGSARKRGZRBGEL-UHFFFAOYSA-N -1 3 317.736 2.714 20 0 DFADHM COc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)n[n-]1 ZINC000426934051 429426338 /nfs/dbraw/zinc/42/63/38/429426338.db2.gz WGSARKRGZRBGEL-UHFFFAOYSA-N -1 3 317.736 2.714 20 0 DFADHM COc1n[n-]c(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)n1 ZINC000426934051 429426341 /nfs/dbraw/zinc/42/63/41/429426341.db2.gz WGSARKRGZRBGEL-UHFFFAOYSA-N -1 3 317.736 2.714 20 0 DFADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC[C@H](O)CC2)c1C ZINC000518540794 429427515 /nfs/dbraw/zinc/42/75/15/429427515.db2.gz YDBXPKJYOGUFIB-ZDUSSCGKSA-N -1 3 314.385 2.901 20 0 DFADHM CC1(C)C[C@@H](CNC(=O)Cc2ccc([O-])cc2Cl)CCO1 ZINC000457223336 429428934 /nfs/dbraw/zinc/42/89/34/429428934.db2.gz YBWMVVDGVWXWTA-NSHDSACASA-N -1 3 311.809 2.910 20 0 DFADHM O=C(N[C@H]1CCc2[nH]cnc2C1)c1cc([O-])c2ccccc2c1 ZINC000366205394 429432968 /nfs/dbraw/zinc/43/29/68/429432968.db2.gz UHWATFCWYWKTDN-ZDUSSCGKSA-N -1 3 307.353 2.556 20 0 DFADHM O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc([O-])c2ccccc2c1 ZINC000366205394 429432972 /nfs/dbraw/zinc/43/29/72/429432972.db2.gz UHWATFCWYWKTDN-ZDUSSCGKSA-N -1 3 307.353 2.556 20 0 DFADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1-n1cccn1 ZINC000366226904 429436337 /nfs/dbraw/zinc/43/63/37/429436337.db2.gz FFBRKZKNYINRHT-JTQLQIEISA-N -1 3 314.370 2.525 20 0 DFADHM C[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000457280897 429437663 /nfs/dbraw/zinc/43/76/63/429437663.db2.gz ZWQCVRXABISIPR-BLLLJJGKSA-N -1 3 324.446 2.757 20 0 DFADHM CCOC(=O)c1[n-]cnc1NC(=O)C=Cc1c(F)cccc1F ZINC000492387139 429525819 /nfs/dbraw/zinc/52/58/19/429525819.db2.gz YYAGKCNGPDFNKI-VOTSOKGWSA-N -1 3 321.283 2.517 20 0 DFADHM CCOC(=O)c1nc[n-]c1NC(=O)C=Cc1c(F)cccc1F ZINC000492387139 429525821 /nfs/dbraw/zinc/52/58/21/429525821.db2.gz YYAGKCNGPDFNKI-VOTSOKGWSA-N -1 3 321.283 2.517 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NCc1ccc(OC(F)F)cc1 ZINC000492391537 429527432 /nfs/dbraw/zinc/52/74/32/429527432.db2.gz BCZSDTFZLMQYPB-UTCJRWHESA-N -1 3 320.295 2.718 20 0 DFADHM COc1ccc(/C=C\C(=O)NCc2ccc([O-])c(F)c2)cc1O ZINC000492405278 429528852 /nfs/dbraw/zinc/52/88/52/429528852.db2.gz JQEJMRGDLJBKOL-DAXSKMNVSA-N -1 3 317.316 2.575 20 0 DFADHM CCOc1ccc(/C=C\C(=O)[N-]OCC(F)(F)F)cc1OC ZINC000492180093 429482964 /nfs/dbraw/zinc/48/29/64/429482964.db2.gz INOUZMGMBVMGTD-ALCCZGGFSA-N -1 3 319.279 2.717 20 0 DFADHM O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc(=O)c2ccccc2[n-]1 ZINC000428047089 429486382 /nfs/dbraw/zinc/48/63/82/429486382.db2.gz XITCCJMNQLUASK-UHFFFAOYSA-N -1 3 322.299 2.796 20 0 DFADHM C[C@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C(=O)[O-] ZINC000519770382 429487273 /nfs/dbraw/zinc/48/72/73/429487273.db2.gz KUGKTRADFARGAU-LRDDRELGSA-N -1 3 317.364 2.554 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCOC[C@H]1C1CCC1 ZINC000519826248 429493277 /nfs/dbraw/zinc/49/32/77/429493277.db2.gz RSEZUMVJEQODSV-KRWDZBQOSA-N -1 3 315.413 2.912 20 0 DFADHM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000492255838 429497164 /nfs/dbraw/zinc/49/71/64/429497164.db2.gz DGSGOYYUTHHARC-LLVKDONJSA-N -1 3 324.377 2.643 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccc(N2CCCC2=O)cc1 ZINC000492341667 429515801 /nfs/dbraw/zinc/51/58/01/429515801.db2.gz NTQSBKSZRQTLDP-BAQGIRSFSA-N -1 3 323.352 2.566 20 0 DFADHM CCC[C@H](CC(C)C)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000449809310 429517037 /nfs/dbraw/zinc/51/70/37/429517037.db2.gz FXHQUKDHZNXSTO-OAHLLOKOSA-N -1 3 320.433 2.701 20 0 DFADHM Cc1ccc(-c2nnco2)cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000492346138 429517746 /nfs/dbraw/zinc/51/77/46/429517746.db2.gz ZKAGDEHYGYKVKA-HWKANZROSA-N -1 3 322.324 2.798 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000520559325 429520203 /nfs/dbraw/zinc/52/02/03/429520203.db2.gz XFPGBWXNYBLICK-UHFFFAOYSA-N -1 3 321.373 2.548 20 0 DFADHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000449839482 429522483 /nfs/dbraw/zinc/52/24/83/429522483.db2.gz BRCXWRLASLEIQM-DGCLKSJQSA-N -1 3 318.352 2.755 20 0 DFADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)C1 ZINC000449845160 429522818 /nfs/dbraw/zinc/52/28/18/429522818.db2.gz YYUNNNOUWQNAAW-GHMZBOCLSA-N -1 3 318.352 2.755 20 0 DFADHM COc1cc(C(=O)N2CCCC3(CCC3)C2)cc(OC)c1[O-] ZINC000366837618 429524442 /nfs/dbraw/zinc/52/44/42/429524442.db2.gz ADGYLZLIJHMYHM-UHFFFAOYSA-N -1 3 305.374 2.816 20 0 DFADHM O=c1[n-]nc(CN2CC[C@@](F)(c3cccc(Cl)c3)C2)s1 ZINC000366960105 429548201 /nfs/dbraw/zinc/54/82/01/429548201.db2.gz GHROINUAEVIASQ-ZDUSSCGKSA-N -1 3 313.785 2.968 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1nccn1Cc1ccccc1 ZINC000492516260 429556592 /nfs/dbraw/zinc/55/65/92/429556592.db2.gz AQOOUJBPJVZZPP-VOTSOKGWSA-N -1 3 320.352 2.684 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000492524168 429557396 /nfs/dbraw/zinc/55/73/96/429557396.db2.gz ZORXBCIWUMNSLC-XDSYMSCESA-N -1 3 316.307 2.751 20 0 DFADHM CCOc1cc(NC(=O)/C=C\c2cncc([O-])c2)ccc1OC ZINC000492523807 429557654 /nfs/dbraw/zinc/55/76/54/429557654.db2.gz YDYSJHYNRRNPDN-DAXSKMNVSA-N -1 3 314.341 2.846 20 0 DFADHM COc1ccnc2c(NC(=O)/C=C\c3cncc([O-])c3)cccc12 ZINC000492523163 429557715 /nfs/dbraw/zinc/55/77/15/429557715.db2.gz WCYVLBPITOOGAT-WAYWQWQTSA-N -1 3 321.336 2.996 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NCCc1ccc(F)c(F)c1F ZINC000492539971 429561509 /nfs/dbraw/zinc/56/15/09/429561509.db2.gz RAHDYOBZETWIDL-RJRFIUFISA-N -1 3 322.286 2.577 20 0 DFADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(Oc2ccccc2)nn1 ZINC000521886933 429567398 /nfs/dbraw/zinc/56/73/98/429567398.db2.gz SNFMZTGCURJGOJ-ZDUSSCGKSA-N -1 3 315.373 2.954 20 0 DFADHM COC(=O)COc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000522023810 429575306 /nfs/dbraw/zinc/57/53/06/429575306.db2.gz IMZDBUFQMVXSIW-UHFFFAOYSA-N -1 3 315.325 2.505 20 0 DFADHM CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000492606209 429576922 /nfs/dbraw/zinc/57/69/22/429576922.db2.gz DGSGOYYUTHHARC-NSHDSACASA-N -1 3 324.377 2.643 20 0 DFADHM COc1ncc(/C=C/C(=O)Nc2cc(Cl)cc(C)c2[O-])cn1 ZINC000492657492 429588501 /nfs/dbraw/zinc/58/85/01/429588501.db2.gz XOXUBKVZKUHTQY-ONEGZZNKSA-N -1 3 319.748 2.805 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCc1cccc2cccnc21 ZINC000492447507 429539832 /nfs/dbraw/zinc/53/98/32/429539832.db2.gz VWZKUAGXIFRDPO-VOTSOKGWSA-N -1 3 319.364 2.708 20 0 DFADHM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000521183483 429541870 /nfs/dbraw/zinc/54/18/70/429541870.db2.gz CVQUSIDSTNTQNM-ZDUSSCGKSA-N -1 3 308.385 2.970 20 0 DFADHM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000521183483 429541872 /nfs/dbraw/zinc/54/18/72/429541872.db2.gz CVQUSIDSTNTQNM-ZDUSSCGKSA-N -1 3 308.385 2.970 20 0 DFADHM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000521183483 429541876 /nfs/dbraw/zinc/54/18/76/429541876.db2.gz CVQUSIDSTNTQNM-ZDUSSCGKSA-N -1 3 308.385 2.970 20 0 DFADHM COc1ccc(CC2CCN(Cc3n[n-]c(=O)s3)CC2)cc1 ZINC000366941257 429544126 /nfs/dbraw/zinc/54/41/26/429544126.db2.gz AQTAXAQZUPQPFO-UHFFFAOYSA-N -1 3 319.430 2.707 20 0 DFADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCOC1 ZINC000429817109 429634159 /nfs/dbraw/zinc/63/41/59/429634159.db2.gz KNUKLYHBMSZLIT-GFCCVEGCSA-N -1 3 324.229 2.698 20 0 DFADHM O=C(/C=C/c1c(Cl)nc2ccccn21)[N-]OC1CCCC1 ZINC000492879551 429635423 /nfs/dbraw/zinc/63/54/23/429635423.db2.gz FSBZJFGFFSUALB-CMDGGOBGSA-N -1 3 305.765 2.991 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N(CC(F)F)CC1CCC1 ZINC000450290518 429592501 /nfs/dbraw/zinc/59/25/01/429592501.db2.gz DDSMORLWXKQQKH-UHFFFAOYSA-N -1 3 301.308 2.968 20 0 DFADHM CC(C)(C)[C@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)CCO1 ZINC000450308976 429595640 /nfs/dbraw/zinc/59/56/40/429595640.db2.gz PSONOMKIPSRAAI-SWLSCSKDSA-N -1 3 309.381 2.784 20 0 DFADHM Cc1ccc([O-])c(CN2Cc3ccccc3[C@@H](n3cccn3)C2)n1 ZINC000367461340 429651951 /nfs/dbraw/zinc/65/19/51/429651951.db2.gz VVLQDTXVDXNNOS-SFHVURJKSA-N -1 3 320.396 2.897 20 0 DFADHM Cn1cc([C@@H]2CCN(Cc3n[n-]c(=O)s3)C2)c2ccccc21 ZINC000367459904 429652213 /nfs/dbraw/zinc/65/22/13/429652213.db2.gz WVZCVDBUQSMGTN-LLVKDONJSA-N -1 3 314.414 2.725 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)Cc1ccccc1Cl ZINC000525352113 429659760 /nfs/dbraw/zinc/65/97/60/429659760.db2.gz CSPYSBZWZCBQRK-UHFFFAOYSA-N -1 3 321.764 2.729 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)Cc1ccccc1Cl ZINC000525352113 429659762 /nfs/dbraw/zinc/65/97/62/429659762.db2.gz CSPYSBZWZCBQRK-UHFFFAOYSA-N -1 3 321.764 2.729 20 0 DFADHM CC(C)c1c(N=c2ncnc3[nH][n-]cc2-3)cnn1-c1ccccc1 ZINC000362952625 276042883 /nfs/dbraw/zinc/04/28/83/276042883.db2.gz TWHIGSFMVMFKMN-UHFFFAOYSA-N -1 3 319.372 2.779 20 0 DFADHM Cc1csc([C@@H](C)CNC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC000450589321 429653853 /nfs/dbraw/zinc/65/38/53/429653853.db2.gz XHBPXXZCCWVTIN-VIFPVBQESA-N -1 3 308.378 2.759 20 0 DFADHM COCC[C@H]1CCCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000450684042 429677944 /nfs/dbraw/zinc/67/79/44/429677944.db2.gz RHMGNDLBOUOIPJ-CYBMUJFWSA-N -1 3 309.381 2.739 20 0 DFADHM CCCCCn1nc(C)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000525865615 429681929 /nfs/dbraw/zinc/68/19/29/429681929.db2.gz HAYHXJGSCQLBIR-UHFFFAOYSA-N -1 3 312.377 2.905 20 0 DFADHM CCCCCn1nc(C)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000525865615 429681934 /nfs/dbraw/zinc/68/19/34/429681934.db2.gz HAYHXJGSCQLBIR-UHFFFAOYSA-N -1 3 312.377 2.905 20 0 DFADHM CCCCCn1nc(C)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000525865615 429681937 /nfs/dbraw/zinc/68/19/37/429681937.db2.gz HAYHXJGSCQLBIR-UHFFFAOYSA-N -1 3 312.377 2.905 20 0 DFADHM CCOc1cc(C(=O)[N-]c2ncc3c(n2)CCC(C)(C)C3)on1 ZINC000298553104 276369053 /nfs/dbraw/zinc/36/90/53/276369053.db2.gz FBWABSCBNQSIJY-UHFFFAOYSA-N -1 3 316.361 2.631 20 0 DFADHM O=C(NCC1(c2ccc(F)cc2)CCC1)c1csc(=O)[n-]1 ZINC000526889960 429707437 /nfs/dbraw/zinc/70/74/37/429707437.db2.gz ALYIQSMFAMQDPK-UHFFFAOYSA-N -1 3 306.362 2.840 20 0 DFADHM CCCOc1ccc2c(c1)CCN(C(=O)c1csc(=O)[n-]1)C2 ZINC000526919209 429707828 /nfs/dbraw/zinc/70/78/28/429707828.db2.gz IRYWSBWFPBYYLD-UHFFFAOYSA-N -1 3 318.398 2.836 20 0 DFADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(C)CCCC(=O)[O-])cc1 ZINC000430659830 429707990 /nfs/dbraw/zinc/70/79/90/429707990.db2.gz MEJZSXRYRNYBJZ-ZIAGYGMSSA-N -1 3 320.433 2.611 20 0 DFADHM C[C@H](NC(=O)/C=C\c1cncc([O-])c1)c1ccnc(Cl)c1 ZINC000493190080 429708700 /nfs/dbraw/zinc/70/87/00/429708700.db2.gz NAQHDUIDWLSOFO-ZMWSMAPVSA-N -1 3 303.749 2.726 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1 ZINC000431155913 429746333 /nfs/dbraw/zinc/74/63/33/429746333.db2.gz BXLCBHOUORYPBQ-UHFFFAOYSA-N -1 3 317.288 2.913 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c([O-])c1 ZINC000527050742 429719481 /nfs/dbraw/zinc/71/94/81/429719481.db2.gz VFYZLVJASXOLHC-AWEZNQCLSA-N -1 3 324.380 2.810 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](CO)C1CCCCC1 ZINC000527050229 429719544 /nfs/dbraw/zinc/71/95/44/429719544.db2.gz BKHCJIADVJUEBP-MRXNPFEDSA-N -1 3 323.408 2.911 20 0 DFADHM COC(=O)c1cc(-c2nc(-c3ccc(F)c(C)c3)no2)c[n-]1 ZINC000430877182 429721674 /nfs/dbraw/zinc/72/16/74/429721674.db2.gz VKKRXGSPBNVADW-UHFFFAOYSA-N -1 3 301.277 2.966 20 0 DFADHM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1csc(=O)[n-]1 ZINC000527169953 429728131 /nfs/dbraw/zinc/72/81/31/429728131.db2.gz RVUMECPIGMSCLS-DGCLKSJQSA-N -1 3 318.398 2.746 20 0 DFADHM CC(=O)c1cccc(NC(=O)C=Cc2nnc(C(C)C)o2)c1[O-] ZINC000493297555 429730594 /nfs/dbraw/zinc/73/05/94/429730594.db2.gz SNLHUVVZWBSIDR-BQYQJAHWSA-N -1 3 315.329 2.753 20 0 DFADHM COCCN(C[C@@H]1CC=CCC1)C(=O)/C=C\c1cncc([O-])c1 ZINC000493313236 429733646 /nfs/dbraw/zinc/73/36/46/429733646.db2.gz ABSOOBGIHKYRLJ-ZPIQOJFGSA-N -1 3 316.401 2.632 20 0 DFADHM CCc1cccc(C(=O)NC[C@@H]2COc3ccccc3O2)c1[O-] ZINC000527228195 429734145 /nfs/dbraw/zinc/73/41/45/429734145.db2.gz CDJAXFRNCGTGIY-CYBMUJFWSA-N -1 3 313.353 2.524 20 0 DFADHM Cn1nccc1-c1ccccc1C[N-]c1nnc(C(F)(F)F)o1 ZINC000431034522 429737234 /nfs/dbraw/zinc/73/72/34/429737234.db2.gz OUDMASNKUYOTKH-UHFFFAOYSA-N -1 3 323.278 3.101 20 0 DFADHM CC(C)OCCO[N-]C(=O)/C=C/c1cccc(OC(C)C)c1 ZINC000493327310 429738431 /nfs/dbraw/zinc/73/84/31/429738431.db2.gz ACQAYQGHGDUAAA-CMDGGOBGSA-N -1 3 307.390 2.960 20 0 DFADHM CCc1cc(C(=O)NCCOc2ccccc2F)ccc1[O-] ZINC000485195168 429743570 /nfs/dbraw/zinc/74/35/70/429743570.db2.gz PQHYVOOYRBZRIP-UHFFFAOYSA-N -1 3 303.333 2.903 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCOc2cccc(C)c2)c1 ZINC000450993883 429745398 /nfs/dbraw/zinc/74/53/98/429745398.db2.gz WZWSJVDZAIUCLK-UHFFFAOYSA-N -1 3 311.428 2.722 20 0 DFADHM COC(C)(C)C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451250294 429795810 /nfs/dbraw/zinc/79/58/10/429795810.db2.gz DGQZJCHRWZKFNS-UHFFFAOYSA-N -1 3 311.378 2.682 20 0 DFADHM O=S(=O)([N-][C@@H]1CCSC1)c1ccc2ccccc2c1F ZINC000451262174 429799288 /nfs/dbraw/zinc/79/92/88/429799288.db2.gz GIVWLLFYYNZYPZ-LLVKDONJSA-N -1 3 311.403 2.763 20 0 DFADHM C[C@H]1C[C@H](C(=O)Nc2ccc(Br)cc2[O-])CO1 ZINC000527378036 429748571 /nfs/dbraw/zinc/74/85/71/429748571.db2.gz BYNVEJDXFVXTEE-YUMQZZPRSA-N -1 3 300.152 2.518 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CC(O)(c2ccc(F)cc2)C1 ZINC000367941904 429749590 /nfs/dbraw/zinc/74/95/90/429749590.db2.gz JWLCIFRNYMXCSL-UHFFFAOYSA-N -1 3 321.735 2.528 20 0 DFADHM O=S(=O)([N-]CCN1CCCCCC1)c1sccc1Cl ZINC000451036989 429753155 /nfs/dbraw/zinc/75/31/55/429753155.db2.gz HHMJUXUVXVEZKL-UHFFFAOYSA-N -1 3 322.883 2.556 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)C(F)F ZINC000451080011 429764545 /nfs/dbraw/zinc/76/45/45/429764545.db2.gz IMILILQYBHHMEL-NSHDSACASA-N -1 3 300.330 2.557 20 0 DFADHM O=C([N-]c1nc2ccsc2s1)c1noc2c1COCC2 ZINC000527605695 429765549 /nfs/dbraw/zinc/76/55/49/429765549.db2.gz ZRPIHNWSTYTORC-UHFFFAOYSA-N -1 3 307.356 2.671 20 0 DFADHM O=C(/C=C\c1ccccc1-n1cccn1)[N-]OC/C=C\Cl ZINC000493456173 429767609 /nfs/dbraw/zinc/76/76/09/429767609.db2.gz OOLDTAKRPRDARO-KKRGOGOASA-N -1 3 303.749 2.686 20 0 DFADHM O=C(NCC1(c2ccccc2)CC1)c1cc(F)cc2nn[n-]c21 ZINC000431526764 429767852 /nfs/dbraw/zinc/76/78/52/429767852.db2.gz WNQBVIZMSBKZNF-UHFFFAOYSA-N -1 3 310.332 2.559 20 0 DFADHM O=C(NCC1(c2ccccc2)CC1)c1cc(F)cc2[n-]nnc21 ZINC000431526764 429767856 /nfs/dbraw/zinc/76/78/56/429767856.db2.gz WNQBVIZMSBKZNF-UHFFFAOYSA-N -1 3 310.332 2.559 20 0 DFADHM O=C(NCC1(c2ccccc2)CC1)c1cc(F)cc2n[n-]nc21 ZINC000431526764 429767858 /nfs/dbraw/zinc/76/78/58/429767858.db2.gz WNQBVIZMSBKZNF-UHFFFAOYSA-N -1 3 310.332 2.559 20 0 DFADHM CN(C/C=C/C(=O)Nc1cccc([O-])c1F)CC(F)(F)F ZINC000493469542 429769550 /nfs/dbraw/zinc/76/95/50/429769550.db2.gz XBCBVLAADAEZNF-ZZXKWVIFSA-N -1 3 306.259 2.520 20 0 DFADHM O=C(/C=C\c1ccc(Br)o1)[N-]OC/C=C/Cl ZINC000493475669 429770840 /nfs/dbraw/zinc/77/08/40/429770840.db2.gz BFEIQNBIENNHHD-LWLQJDLGSA-N -1 3 306.543 2.856 20 0 DFADHM CC(C)Oc1cccc(/C=C\C(=O)[N-]O[C@@H](CO)C(C)C)c1 ZINC000493492142 429772786 /nfs/dbraw/zinc/77/27/86/429772786.db2.gz JXGWGPOKZRKJJL-QWGSZXSUSA-N -1 3 307.390 2.552 20 0 DFADHM CCc1ccc(C=CC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)o1 ZINC000493544851 429782484 /nfs/dbraw/zinc/78/24/84/429782484.db2.gz CATXSEZCZGSQJN-KTKRTIGZSA-N -1 3 323.356 2.598 20 0 DFADHM CCc1ccc(C=CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)o1 ZINC000493544851 429782487 /nfs/dbraw/zinc/78/24/87/429782487.db2.gz CATXSEZCZGSQJN-KTKRTIGZSA-N -1 3 323.356 2.598 20 0 DFADHM CCCc1cnc(NC(=O)c2cc(F)cc3[n-]nnc32)s1 ZINC000431827341 429785661 /nfs/dbraw/zinc/78/56/61/429785661.db2.gz DPILDIXEMLAQNC-UHFFFAOYSA-N -1 3 305.338 2.758 20 0 DFADHM CCCc1cnc(NC(=O)c2cc(F)cc3nn[n-]c32)s1 ZINC000431827341 429785665 /nfs/dbraw/zinc/78/56/65/429785665.db2.gz DPILDIXEMLAQNC-UHFFFAOYSA-N -1 3 305.338 2.758 20 0 DFADHM CCCc1cnc(NC(=O)c2cc(F)cc3n[n-]nc32)s1 ZINC000431827341 429785669 /nfs/dbraw/zinc/78/56/69/429785669.db2.gz DPILDIXEMLAQNC-UHFFFAOYSA-N -1 3 305.338 2.758 20 0 DFADHM C[C@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)[C@H]1c1ccccc1 ZINC000431849024 429786618 /nfs/dbraw/zinc/78/66/18/429786618.db2.gz ZGTVDMWFGNZJBX-MGPLVRAMSA-N -1 3 310.332 2.930 20 0 DFADHM C[C@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)[C@H]1c1ccccc1 ZINC000431849024 429786623 /nfs/dbraw/zinc/78/66/23/429786623.db2.gz ZGTVDMWFGNZJBX-MGPLVRAMSA-N -1 3 310.332 2.930 20 0 DFADHM C[C@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)[C@H]1c1ccccc1 ZINC000431849024 429786625 /nfs/dbraw/zinc/78/66/25/429786625.db2.gz ZGTVDMWFGNZJBX-MGPLVRAMSA-N -1 3 310.332 2.930 20 0 DFADHM Cc1cc(/C=C/C(=O)[N-]O[C@H]2CCOC2)ccc1C(F)(F)F ZINC000493591521 429790811 /nfs/dbraw/zinc/79/08/11/429790811.db2.gz 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/nfs/dbraw/zinc/82/36/35/429823635.db2.gz ILEXMPCUWPMRFP-UHFFFAOYSA-N -1 3 324.174 2.949 20 0 DFADHM COCCO[N-]C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000493797194 429831531 /nfs/dbraw/zinc/83/15/31/429831531.db2.gz UVSFZJBMMCCECU-MDZDMXLPSA-N -1 3 305.374 2.715 20 0 DFADHM COCc1nn(C)cc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000451476669 429832619 /nfs/dbraw/zinc/83/26/19/429832619.db2.gz GLNXPWINDPYLJK-UHFFFAOYSA-N -1 3 317.389 2.822 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000451516043 429840289 /nfs/dbraw/zinc/84/02/89/429840289.db2.gz HSGNDHBRGWKZMO-VXGBXAGGSA-N -1 3 317.476 2.929 20 0 DFADHM C[C@@]1(CNC(=O)Cc2ccc([O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000368493899 429857577 /nfs/dbraw/zinc/85/75/77/429857577.db2.gz WKQBSUJPWYEJBV-SJORKVTESA-N -1 3 323.820 2.910 20 0 DFADHM COC1(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCCC1 ZINC000451616781 429862219 /nfs/dbraw/zinc/86/22/19/429862219.db2.gz SJOMTMMLDOIRJQ-UHFFFAOYSA-N -1 3 321.801 2.717 20 0 DFADHM O=C([N-]O[C@H]1CCCCO1)C1CC(OCc2ccccc2)C1 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C[C@H]1CCCCN1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000572291256 430680629 /nfs/dbraw/zinc/68/06/29/430680629.db2.gz GAQORZWBVYECTF-LBPRGKRZSA-N -1 3 321.377 2.508 20 0 DFADHM O=c1sc2c(n1Cc1cc(=O)[n-]c(C3CC3)n1)CCCCC2 ZINC000572347943 430683137 /nfs/dbraw/zinc/68/31/37/430683137.db2.gz JHAVHWQXRJUXCO-UHFFFAOYSA-N -1 3 317.414 2.600 20 0 DFADHM COc1cccc2c1CCN([C@@H](C)c1nc(C)cc(=O)[n-]1)CC2 ZINC000192816053 278030418 /nfs/dbraw/zinc/03/04/18/278030418.db2.gz QFOMSDSUOJDMOY-ZDUSSCGKSA-N -1 3 313.401 2.661 20 0 DFADHM CO[C@H]1CCN(Cc2ccccc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000572424343 430686812 /nfs/dbraw/zinc/68/68/12/430686812.db2.gz DQDUJWVNPXBRGU-WCQYABFASA-N -1 3 317.307 2.769 20 0 DFADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cccc2[n-]nnc21 ZINC000556674647 430688490 /nfs/dbraw/zinc/68/84/90/430688490.db2.gz VVRFZBOSLXLIML-BDAKNGLRSA-N -1 3 312.295 2.761 20 0 DFADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cccc2nn[n-]c21 ZINC000556674647 430688491 /nfs/dbraw/zinc/68/84/91/430688491.db2.gz 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O=C([O-])C[C@H]1CCCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000648421936 430782418 /nfs/dbraw/zinc/78/24/18/430782418.db2.gz CUYNXWJJUYLWLR-HNNXBMFYSA-N -1 3 313.401 2.949 20 0 DFADHM CC[C@@H](COCC1CC1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000661508054 430742567 /nfs/dbraw/zinc/74/25/67/430742567.db2.gz IEAOIODLGFTWRE-ZDUSSCGKSA-N -1 3 310.369 2.536 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@H]2c2ccc(F)cc2)on1 ZINC000661510833 430743507 /nfs/dbraw/zinc/74/35/07/430743507.db2.gz JIHIBBGRYPWEFZ-RISCZKNCSA-N -1 3 303.337 2.896 20 0 DFADHM CC(C)(O)C1CCC(C(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000651241704 430746760 /nfs/dbraw/zinc/74/67/60/430746760.db2.gz HTVJSQAZUNWVGU-UHFFFAOYSA-N -1 3 318.377 2.581 20 0 DFADHM CC(C)(O)C1CCC(C(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000651241704 430746766 /nfs/dbraw/zinc/74/67/66/430746766.db2.gz HTVJSQAZUNWVGU-UHFFFAOYSA-N -1 3 318.377 2.581 20 0 DFADHM CC(C)(O)C1CCC(C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000651241704 430746772 /nfs/dbraw/zinc/74/67/72/430746772.db2.gz 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COc1nnc(NC(=O)C2(c3ccccc3Cl)CCC2)[n-]1 ZINC000651634240 430837354 /nfs/dbraw/zinc/83/73/54/430837354.db2.gz UOCQKTSTOVNGMH-UHFFFAOYSA-N -1 3 306.753 2.527 20 0 DFADHM COc1n[n-]c(NC(=O)C2(c3ccccc3Cl)CCC2)n1 ZINC000651634240 430837360 /nfs/dbraw/zinc/83/73/60/430837360.db2.gz UOCQKTSTOVNGMH-UHFFFAOYSA-N -1 3 306.753 2.527 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)[C@H]1CCCCO1 ZINC000651630868 430835300 /nfs/dbraw/zinc/83/53/00/430835300.db2.gz STNYVCPSDSWSET-TVQRCGJNSA-N -1 3 321.801 2.715 20 0 DFADHM C[C@@H]1Cc2ccccc2N(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000654729737 430795477 /nfs/dbraw/zinc/79/54/77/430795477.db2.gz WPAMLFPCDSVLNK-LLVKDONJSA-N -1 3 309.369 2.899 20 0 DFADHM CCC[C@@H](C)S(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000651639608 430836733 /nfs/dbraw/zinc/83/67/33/430836733.db2.gz HQNJSYFPNATGOJ-LDYMZIIASA-N -1 3 305.346 2.506 20 0 DFADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000651731709 430860042 /nfs/dbraw/zinc/86/00/42/430860042.db2.gz 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ZINC000645013806 430891025 /nfs/dbraw/zinc/89/10/25/430891025.db2.gz NHSSRAKEIRUIOR-UHFFFAOYSA-N -1 3 311.326 2.927 20 0 DFADHM C=Cc1ccc(CCNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000655097715 430895485 /nfs/dbraw/zinc/89/54/85/430895485.db2.gz YKNMKLKCBMDWTB-UHFFFAOYSA-N -1 3 309.369 2.675 20 0 DFADHM O=C(Nc1ccc(C2CCC2)cn1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655113587 430898910 /nfs/dbraw/zinc/89/89/10/430898910.db2.gz AFRKQLKZSUYPNM-UHFFFAOYSA-N -1 3 310.357 2.974 20 0 DFADHM Cn1c(CNC[C@@H](C(=O)[O-])C2CCC2)nc2cc(Cl)ccc21 ZINC000665361537 430910022 /nfs/dbraw/zinc/91/00/22/430910022.db2.gz QZUPJJXBMLLXPF-GFCCVEGCSA-N -1 3 321.808 2.817 20 0 DFADHM O=C([O-])[C@@H](CNCc1ncccc1C(F)(F)F)C1CCC1 ZINC000665361971 430910139 /nfs/dbraw/zinc/91/01/39/430910139.db2.gz XFWGVQNXGWNUMZ-JTQLQIEISA-N -1 3 302.296 2.691 20 0 DFADHM CCn1nc(CNC[C@@H](C(=O)[O-])C2CCC2)c2ccccc21 ZINC000665360510 430910580 /nfs/dbraw/zinc/91/05/80/430910580.db2.gz YPBFJPHTTCSGJH-CQSZACIVSA-N -1 3 301.390 2.647 20 0 DFADHM CC(=O)c1ccc(C(=O)NCC(C)(C)[C@H]2CCCCO2)cc1[O-] ZINC000665361986 430910775 /nfs/dbraw/zinc/91/07/75/430910775.db2.gz YPZXDRQNHCQNJA-MRXNPFEDSA-N -1 3 319.401 2.920 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCc3ncncc3C2)c1[O-] ZINC000648842152 430911418 /nfs/dbraw/zinc/91/14/18/430911418.db2.gz HVZWFMCICZEUBR-JTQLQIEISA-N -1 3 317.776 2.888 20 0 DFADHM COCCN(C(=O)c1ccc(C(C)=O)c([O-])c1)C1CCCC1 ZINC000665367707 430911500 /nfs/dbraw/zinc/91/15/00/430911500.db2.gz ZLMWLTQDFSIHDJ-UHFFFAOYSA-N -1 3 305.374 2.626 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)c1[O-] ZINC000648842044 430911641 /nfs/dbraw/zinc/91/16/41/430911641.db2.gz ATQVDZCDEHCUFI-ZDUSSCGKSA-N -1 3 322.792 2.694 20 0 DFADHM Cc1ccc([O-])c(NC(=O)COC[C@@H](C)c2ccccc2)n1 ZINC000651926161 430917029 /nfs/dbraw/zinc/91/70/29/430917029.db2.gz HZACHQJQWKXCBL-GFCCVEGCSA-N -1 3 300.358 2.854 20 0 DFADHM C[C@@H]1CCN(C(=O)[C@@H]2CCc3ncncc3C2)c2c([O-])cccc21 ZINC000648863457 430918290 /nfs/dbraw/zinc/91/82/90/430918290.db2.gz 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Cc1ccc2c(c1)[C@H](NC(=O)c1ccc3n[n-]nc3c1)[C@@H](C)C2 ZINC000181111095 281114384 /nfs/dbraw/zinc/11/43/84/281114384.db2.gz KWGIAIVYLOUWRA-APPDUMDISA-N -1 3 306.369 2.930 20 0 DFADHM Cc1cccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1[O-] ZINC000179222687 281195229 /nfs/dbraw/zinc/19/52/29/281195229.db2.gz RFPXSEUHSIGIPS-DLBZAZTESA-N -1 3 310.397 2.876 20 0 DFADHM Cc1n[nH]c(C)c1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000089769851 281772940 /nfs/dbraw/zinc/77/29/40/281772940.db2.gz QMHMGENGWGRCHY-UHFFFAOYSA-N -1 3 314.320 2.568 20 0 DFADHM CC(C)c1nnc([N-]C(=O)c2cnc(C(F)(F)F)nc2)s1 ZINC000153883901 289064687 /nfs/dbraw/zinc/06/46/87/289064687.db2.gz CKDJUWJDCOCEIG-UHFFFAOYSA-N -1 3 317.296 2.723 20 0 DFADHM C[C@H]1CC([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)=NO1 ZINC000291477034 290350510 /nfs/dbraw/zinc/35/05/10/290350510.db2.gz PQJKSKAKAJFZKB-YFKPBYRVSA-N -1 3 308.206 2.836 20 0 DFADHM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000330820239 290492415 /nfs/dbraw/zinc/49/24/15/290492415.db2.gz NBVRFOYAKCGPNB-RYUDHWBXSA-N -1 3 324.446 2.613 20 0 DFADHM [O-]c1ccc(Br)c(CN2CCc3cncnc3C2)c1 ZINC000435773593 296973280 /nfs/dbraw/zinc/97/32/80/296973280.db2.gz WEJKTKQEFBMDKB-UHFFFAOYSA-N -1 3 320.190 2.503 20 0 DFADHM Cc1nc(=N[C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s[n-]1 ZINC000374883731 293155307 /nfs/dbraw/zinc/15/53/07/293155307.db2.gz SVTWRKLTZUGTGC-IUODEOHRSA-N -1 3 302.447 2.591 20 0 DFADHM Cc1ccc(C(=O)Nc2nnc(-c3ccccn3)s2)c([O-])c1 ZINC000436482380 297005958 /nfs/dbraw/zinc/00/59/58/297005958.db2.gz AHTLCFKIZQIUSN-UHFFFAOYSA-N -1 3 312.354 2.866 20 0 DFADHM COc1ccc(C(=O)NCCc2cccc3[nH]ccc32)c([O-])c1 ZINC000436511540 297007782 /nfs/dbraw/zinc/00/77/82/297007782.db2.gz KXKMRNRPYFQGQQ-UHFFFAOYSA-N -1 3 310.353 2.855 20 0 DFADHM COc1cncc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])n1 ZINC000436520092 297008896 /nfs/dbraw/zinc/00/88/96/297008896.db2.gz COQOADYJHMGYNM-UHFFFAOYSA-N -1 3 301.346 2.741 20 0 DFADHM C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436523972 297009102 /nfs/dbraw/zinc/00/91/02/297009102.db2.gz XLFAUWQBSIBPEX-QWRGUYRKSA-N -1 3 312.360 2.663 20 0 DFADHM CCCN(C(=O)c1ccc(C)cc1[O-])[C@@H](CC)C(=O)OCC ZINC000436526593 297009282 /nfs/dbraw/zinc/00/92/82/297009282.db2.gz QOMVKPZSECRGCP-AWEZNQCLSA-N -1 3 307.390 2.895 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCO[C@@H]2CCC[C@H]21 ZINC000436543031 297010617 /nfs/dbraw/zinc/01/06/17/297010617.db2.gz CHFCZOQRVIOAJG-NVXWUHKLSA-N -1 3 301.386 2.665 20 0 DFADHM CC[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@@H](C)O1 ZINC000436542190 297010796 /nfs/dbraw/zinc/01/07/96/297010796.db2.gz ADNIWDCNVMZKDQ-DOMZBBRYSA-N -1 3 303.402 2.911 20 0 DFADHM CN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000436551356 297011555 /nfs/dbraw/zinc/01/15/55/297011555.db2.gz NLZULIIWGMHZDV-MRVPVSSYSA-N -1 3 303.189 2.523 20 0 DFADHM Cc1ccc(C(=O)NCc2ccc(F)c(CN(C)C)c2)c([O-])c1 ZINC000436549532 297011581 /nfs/dbraw/zinc/01/15/81/297011581.db2.gz GDHLQCLGYZOHNA-UHFFFAOYSA-N -1 3 316.376 2.831 20 0 DFADHM Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)c1[O-] ZINC000436550056 297011645 /nfs/dbraw/zinc/01/16/45/297011645.db2.gz WADFPNNCBIYYPN-MRXNPFEDSA-N -1 3 324.380 2.626 20 0 DFADHM COc1cccc(C(=O)NCCc2ccc3ccccc3n2)c1[O-] ZINC000436561828 297012589 /nfs/dbraw/zinc/01/25/89/297012589.db2.gz KQEKYQMAIUJHPO-UHFFFAOYSA-N -1 3 322.364 2.922 20 0 DFADHM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000436560367 297012736 /nfs/dbraw/zinc/01/27/36/297012736.db2.gz DYGIZZSOFBEHPW-IUODEOHRSA-N -1 3 303.402 2.552 20 0 DFADHM CCc1ccc(C(=O)NCc2cn3cc(C)ccc3n2)c([O-])c1 ZINC000436562006 297012855 /nfs/dbraw/zinc/01/28/55/297012855.db2.gz ICSFOJCNQFYWIH-UHFFFAOYSA-N -1 3 309.369 2.841 20 0 DFADHM Cc1cccc(C(=O)Nc2cccc(Cn3cncn3)c2)c1[O-] ZINC000436563622 297012864 /nfs/dbraw/zinc/01/28/64/297012864.db2.gz NRRKXOICLKMPNH-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM COc1cc(C)cc(-c2nc(-c3ccc(F)cn3)no2)c1[O-] ZINC000436567645 297013319 /nfs/dbraw/zinc/01/33/19/297013319.db2.gz ZNWRNUMFHDCOJM-UHFFFAOYSA-N -1 3 301.277 2.960 20 0 DFADHM COc1ccnc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436566797 297013334 /nfs/dbraw/zinc/01/33/34/297013334.db2.gz YNCKLTGPZZPHOQ-UHFFFAOYSA-N -1 3 314.341 2.762 20 0 DFADHM CC(C)c1ccc(C(=O)NC[C@H](C)Cn2cccn2)c([O-])c1 ZINC000436564703 297013343 /nfs/dbraw/zinc/01/33/43/297013343.db2.gz RRPAUZATSVRXQH-ZDUSSCGKSA-N -1 3 301.390 2.778 20 0 DFADHM Cc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1C(N)=O ZINC000436568855 297013359 /nfs/dbraw/zinc/01/33/59/297013359.db2.gz WSKGDRREZNPWGC-UHFFFAOYSA-N -1 3 324.380 2.931 20 0 DFADHM CC1(C)[C@H](NC(=O)c2cc3c(cc2[O-])CCCC3)[C@@H]2CCO[C@H]21 ZINC000436564728 297013378 /nfs/dbraw/zinc/01/33/78/297013378.db2.gz SBLPUGYABVFAQW-IAOVAPTHSA-N -1 3 315.413 2.814 20 0 DFADHM CC1(C)[C@H](NC(=O)c2cc3c(cc2[O-])CCCC3)[C@H]2CCO[C@H]21 ZINC000436564729 297013393 /nfs/dbraw/zinc/01/33/93/297013393.db2.gz SBLPUGYABVFAQW-KBRIMQKVSA-N -1 3 315.413 2.814 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc(OC)cc2[O-])C12CCCC2 ZINC000436570742 297013911 /nfs/dbraw/zinc/01/39/11/297013911.db2.gz ARTHYCASSALDOC-JKSUJKDBSA-N -1 3 319.401 2.868 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c([O-])c1C ZINC000436577580 297014285 /nfs/dbraw/zinc/01/42/85/297014285.db2.gz VDULKJUXBTYODC-AWEZNQCLSA-N -1 3 317.307 2.538 20 0 DFADHM C[C@@H]1C[C@@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)CCN1C ZINC000436583402 297014767 /nfs/dbraw/zinc/01/47/67/297014767.db2.gz KBBXNBNNECKTGW-SCZZXKLOSA-N -1 3 317.216 2.912 20 0 DFADHM COc1cccc(O[C@H](C)CNC(=O)c2cccc(C)c2[O-])c1 ZINC000436581477 297015052 /nfs/dbraw/zinc/01/50/52/297015052.db2.gz FPHBSZWIAHYWBA-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM Cc1ccc([O-])c(-c2nc(-c3ncccc3-n3cccn3)no2)c1 ZINC000436586116 297015460 /nfs/dbraw/zinc/01/54/60/297015460.db2.gz UYDSOUKISHLRJL-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM Cc1cccc(C(=O)NCc2cc(=O)[nH]c3ccccc23)c1[O-] ZINC000436591441 297015722 /nfs/dbraw/zinc/01/57/22/297015722.db2.gz WTNUZUJKRNQNNN-UHFFFAOYSA-N -1 3 308.337 2.884 20 0 DFADHM CCOC[C@H](O)CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436594336 297016046 /nfs/dbraw/zinc/01/60/46/297016046.db2.gz IMZHYQXHSBQKAN-CQSZACIVSA-N -1 3 323.433 2.766 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c([O-])c1 ZINC000436597983 297016847 /nfs/dbraw/zinc/01/68/47/297016847.db2.gz XNILUKFOXDBJEA-QZTJIDSGSA-N -1 3 311.381 2.904 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCc3cn(C(C)C)nc3C2)c1 ZINC000436596255 297016944 /nfs/dbraw/zinc/01/69/44/297016944.db2.gz LNIUTPHFMAIQGC-CQSZACIVSA-N -1 3 313.401 2.765 20 0 DFADHM COc1ccc(C(=O)N2CCc3ccc(F)c(F)c3C2)c([O-])c1 ZINC000436600532 297017268 /nfs/dbraw/zinc/01/72/68/297017268.db2.gz FUXOSMRZRLZABE-UHFFFAOYSA-N -1 3 319.307 2.878 20 0 DFADHM O=C(NCCc1ccccc1O)c1cc2c(cc1[O-])CCCC2 ZINC000436600890 297017277 /nfs/dbraw/zinc/01/72/77/297017277.db2.gz GRFIGUYDSWXDBB-UHFFFAOYSA-N -1 3 311.381 2.949 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C)c1[O-] ZINC000436650265 297021224 /nfs/dbraw/zinc/02/12/24/297021224.db2.gz YJMAIYNWEOHTDT-AWEZNQCLSA-N -1 3 307.390 2.797 20 0 DFADHM CCN1C[C@@H](C)N(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@@H]1C ZINC000436615481 297018111 /nfs/dbraw/zinc/01/81/11/297018111.db2.gz DYDODRDCUUMAGR-UONOGXRCSA-N -1 3 316.445 2.826 20 0 DFADHM Cc1cccc(C(=O)NC2(c3ccc4c(c3)OCO4)CC2)c1[O-] ZINC000436610985 297018163 /nfs/dbraw/zinc/01/81/63/297018163.db2.gz YFFNQTSGQDBHAE-UHFFFAOYSA-N -1 3 311.337 2.848 20 0 DFADHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])[C@H](O)C(F)(F)F ZINC000436617965 297018698 /nfs/dbraw/zinc/01/86/98/297018698.db2.gz MCAQBEOFLUXLGF-AAEUAGOBSA-N -1 3 319.323 2.947 20 0 DFADHM CC[C@@H](CNC(=O)c1ccc(O)cc1[O-])Oc1ccccc1C ZINC000436622279 297018795 /nfs/dbraw/zinc/01/87/95/297018795.db2.gz CYOZXLDMZKZQGQ-AWEZNQCLSA-N -1 3 315.369 2.994 20 0 DFADHM COc1ccc(C)cc1CCNC(=O)c1ccc([O-])c(OC)c1 ZINC000436630155 297019177 /nfs/dbraw/zinc/01/91/77/297019177.db2.gz ZUGAZGSYOGMIQD-UHFFFAOYSA-N -1 3 315.369 2.690 20 0 DFADHM COc1ccc(F)cc1[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436645815 297020379 /nfs/dbraw/zinc/02/03/79/297020379.db2.gz DVUMUGUVXOGJBT-SECBINFHSA-N -1 3 305.305 2.737 20 0 DFADHM C[C@H](CNC(=O)c1c([O-])cccc1O)Oc1cccc(Cl)c1 ZINC000436646830 297020902 /nfs/dbraw/zinc/02/09/02/297020902.db2.gz JLBTXZURKAMBKH-SNVBAGLBSA-N -1 3 321.760 2.949 20 0 DFADHM COc1cccc(C(=O)Nc2ccc3c(C)n(C)nc3c2)c1[O-] ZINC000436647214 297021133 /nfs/dbraw/zinc/02/11/33/297021133.db2.gz IRHMPTAYPMPGTE-UHFFFAOYSA-N -1 3 311.341 2.848 20 0 DFADHM O=C(NCc1cccc(OCC(F)F)c1)c1ccccc1[O-] ZINC000436707303 297026882 /nfs/dbraw/zinc/02/68/82/297026882.db2.gz FOOMCJWNSYSXBZ-UHFFFAOYSA-N -1 3 307.296 2.966 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000436664396 297022967 /nfs/dbraw/zinc/02/29/67/297022967.db2.gz OGQMWLQWLUXDPZ-UONOGXRCSA-N -1 3 321.417 2.974 20 0 DFADHM CCCCOc1ccc(C(=O)NCCCOC(F)F)c([O-])c1 ZINC000436665488 297023067 /nfs/dbraw/zinc/02/30/67/297023067.db2.gz PACXFGQMHDQRCF-UHFFFAOYSA-N -1 3 317.332 2.930 20 0 DFADHM C[C@@H](CNC(=O)c1ccc(O)cc1[O-])Oc1ccc(Cl)cc1 ZINC000436670695 297023494 /nfs/dbraw/zinc/02/34/94/297023494.db2.gz SCDYELZZKVVPHA-JTQLQIEISA-N -1 3 321.760 2.949 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])C12CCCCC2 ZINC000436670685 297023594 /nfs/dbraw/zinc/02/35/94/297023594.db2.gz RZINYNGABLUQJI-HOTGVXAUSA-N -1 3 319.401 2.956 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@H](c3ccnn3C)C2)c([O-])c1C ZINC000436673592 297023985 /nfs/dbraw/zinc/02/39/85/297023985.db2.gz PMXWHEIADSMGMQ-AWEZNQCLSA-N -1 3 313.401 2.762 20 0 DFADHM COc1cccc(C(=O)N[C@H]2CCc3c2cccc3F)c1[O-] ZINC000436693395 297025835 /nfs/dbraw/zinc/02/58/35/297025835.db2.gz UGDUTNGRHMAZMF-AWEZNQCLSA-N -1 3 301.317 2.957 20 0 DFADHM C[C@@H]1CCN(C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436749143 297031313 /nfs/dbraw/zinc/03/13/13/297031313.db2.gz AHSYHXVFQPHCHC-SNVBAGLBSA-N -1 3 316.323 2.577 20 0 DFADHM Cc1cccc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)c1[O-] ZINC000436753280 297031628 /nfs/dbraw/zinc/03/16/28/297031628.db2.gz DMGJHBTYXVKAMV-UHFFFAOYSA-N -1 3 314.316 2.977 20 0 DFADHM COc1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1OC ZINC000436754034 297032024 /nfs/dbraw/zinc/03/20/24/297032024.db2.gz GHZRQPZSFMKOTJ-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM CC[C@@H](C)N[C@@H](CNC(=O)c1cc(F)ccc1[O-])c1ccco1 ZINC000436712626 297027520 /nfs/dbraw/zinc/02/75/20/297027520.db2.gz GUUKBMYMPNOGFS-RISCZKNCSA-N -1 3 320.364 2.984 20 0 DFADHM CC[C@@H](C)N[C@@H](CNC(=O)c1c([O-])cccc1F)c1ccco1 ZINC000436714665 297028017 /nfs/dbraw/zinc/02/80/17/297028017.db2.gz MVNCOWIBJMGTMB-YPMHNXCESA-N -1 3 320.364 2.984 20 0 DFADHM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436732282 297029397 /nfs/dbraw/zinc/02/93/97/297029397.db2.gz TXFPHVZRUGDBKR-JKSUJKDBSA-N -1 3 313.353 2.782 20 0 DFADHM O=C(NCCOCc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000436733253 297029565 /nfs/dbraw/zinc/02/95/65/297029565.db2.gz VCIGSZBUYFDPKJ-UHFFFAOYSA-N -1 3 305.761 2.992 20 0 DFADHM C[C@H]1COC(C)(C)CN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436738423 297029803 /nfs/dbraw/zinc/02/98/03/297029803.db2.gz NVEFGRDTGUPQKA-LBPRGKRZSA-N -1 3 303.402 2.911 20 0 DFADHM Cc1ccc(C(=O)NC[C@H](CO)c2ccccc2Cl)c([O-])c1 ZINC000436739456 297029885 /nfs/dbraw/zinc/02/98/85/297029885.db2.gz OHDRNOHNASETCG-GFCCVEGCSA-N -1 3 319.788 2.860 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c([O-])c1C ZINC000436734600 297029911 /nfs/dbraw/zinc/02/99/11/297029911.db2.gz BBSSMYRPKKXVHI-NUEKZKHPSA-N -1 3 301.386 2.696 20 0 DFADHM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436739579 297030068 /nfs/dbraw/zinc/03/00/68/297030068.db2.gz OQTIBXMXJWPACY-MGPLVRAMSA-N -1 3 319.332 2.743 20 0 DFADHM Cc1nn(C)c(C)c1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000408410665 293719727 /nfs/dbraw/zinc/71/97/27/293719727.db2.gz WKYRSGDDXHVYGA-UHFFFAOYSA-N -1 3 315.373 2.708 20 0 DFADHM C[C@H](CNC(=O)c1ccc(Cl)cc1[O-])N1CCC[C@H](C)C1 ZINC000436763479 297032379 /nfs/dbraw/zinc/03/23/79/297032379.db2.gz GVTFCVVVOIVWPY-NWDGAFQWSA-N -1 3 310.825 2.896 20 0 DFADHM Cc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c([O-])c1 ZINC000436761380 297032599 /nfs/dbraw/zinc/03/25/99/297032599.db2.gz YXMRYORDFJDLIG-OAHLLOKOSA-N -1 3 310.397 2.957 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCCCOCC3CC3)c([O-])c2O1 ZINC000436775840 297033295 /nfs/dbraw/zinc/03/32/95/297033295.db2.gz GHISHXPIGRQYLO-UHFFFAOYSA-N -1 3 319.401 2.652 20 0 DFADHM COCC[C@H](CO)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436783054 297033730 /nfs/dbraw/zinc/03/37/30/297033730.db2.gz PNYYLBMFYCBTPO-CQSZACIVSA-N -1 3 323.433 2.766 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC[C@H]2C)c1 ZINC000436788173 297034373 /nfs/dbraw/zinc/03/43/73/297034373.db2.gz UUDZEWYQWUEEQA-DGCLKSJQSA-N -1 3 304.390 2.907 20 0 DFADHM CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000436794034 297034817 /nfs/dbraw/zinc/03/48/17/297034817.db2.gz UXEOBTQUEABKOW-NOZJJQNGSA-N -1 3 314.788 2.643 20 0 DFADHM COc1cccc(C(=O)N2CCc3cc(F)c(F)cc32)c1[O-] ZINC000436795028 297034894 /nfs/dbraw/zinc/03/48/94/297034894.db2.gz DMUKIIDSQHBZAV-UHFFFAOYSA-N -1 3 305.280 2.882 20 0 DFADHM CC(C)N1C[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])[C@@H](C)C1 ZINC000436794038 297035106 /nfs/dbraw/zinc/03/51/06/297035106.db2.gz UXEOBTQUEABKOW-ZANVPECISA-N -1 3 314.788 2.643 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)c([O-])c1 ZINC000436798048 297035223 /nfs/dbraw/zinc/03/52/23/297035223.db2.gz QOMYHZNOSZJHAR-UHFFFAOYSA-N -1 3 312.369 2.909 20 0 DFADHM Cc1cccc(C(=O)Nc2cccc(OCC(F)F)n2)c1[O-] ZINC000436804233 297035841 /nfs/dbraw/zinc/03/58/41/297035841.db2.gz BDAPHWKSROQWFQ-UHFFFAOYSA-N -1 3 308.284 2.992 20 0 DFADHM CCc1ccc(C(=O)N(CCOC)[C@@H]2CCCSC2)c([O-])c1 ZINC000436809322 297036340 /nfs/dbraw/zinc/03/63/40/297036340.db2.gz NWBHRFPFZKBBNM-CQSZACIVSA-N -1 3 323.458 2.939 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](C)CC(=O)OC(C)(C)C)c([O-])c1 ZINC000436815858 297036438 /nfs/dbraw/zinc/03/64/38/297036438.db2.gz MNYPPPXFEILSOX-NSHDSACASA-N -1 3 307.390 2.805 20 0 DFADHM COc1cccc(C(=O)NCc2cccc(-c3ncc[nH]3)c2)c1[O-] ZINC000436816463 297036474 /nfs/dbraw/zinc/03/64/74/297036474.db2.gz DODCWWMWYXFQKL-UHFFFAOYSA-N -1 3 323.352 2.721 20 0 DFADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@H]1CCCCO1 ZINC000436813873 297036531 /nfs/dbraw/zinc/03/65/31/297036531.db2.gz GKQUCVHKBVLEEX-BXUZGUMPSA-N -1 3 319.401 2.793 20 0 DFADHM CN(CCCNC(=O)c1ccccc1[O-])c1ccccc1F ZINC000436815672 297036740 /nfs/dbraw/zinc/03/67/40/297036740.db2.gz POHFGCTVSDRSOM-UHFFFAOYSA-N -1 3 302.349 2.788 20 0 DFADHM COC(=O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1O ZINC000436821422 297037051 /nfs/dbraw/zinc/03/70/51/297037051.db2.gz WIGVGGBZSWGRQA-UHFFFAOYSA-N -1 3 321.716 2.790 20 0 DFADHM COC(=O)[C@H](NC(=O)c1ccc(C)c(C)c1[O-])c1ccsc1 ZINC000436823612 297037581 /nfs/dbraw/zinc/03/75/81/297037581.db2.gz BXKYUPKGHWDUBD-CYBMUJFWSA-N -1 3 319.382 2.715 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](C(=O)OC)c2ccccc2)c([O-])c1 ZINC000436826384 297037633 /nfs/dbraw/zinc/03/76/33/297037633.db2.gz OSCCHGSAWSRYRD-MRXNPFEDSA-N -1 3 313.353 2.599 20 0 DFADHM CCc1ccc(C(=O)NC[C@H](CO)Cc2ccccc2)c([O-])c1 ZINC000436835152 297038336 /nfs/dbraw/zinc/03/83/36/297038336.db2.gz UIPHFKLEKWXPCR-MRXNPFEDSA-N -1 3 313.397 2.536 20 0 DFADHM Cc1cccc(C(=O)N2CCOc3ccc(F)cc3C2)c1[O-] ZINC000436833679 297038499 /nfs/dbraw/zinc/03/84/99/297038499.db2.gz WUHXPGIVVQYHST-UHFFFAOYSA-N -1 3 301.317 2.875 20 0 DFADHM CCc1ccc(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)c([O-])c1 ZINC000436835302 297038541 /nfs/dbraw/zinc/03/85/41/297038541.db2.gz VIFSRQIPQTYLSW-DZGCQCFKSA-N -1 3 302.418 2.653 20 0 DFADHM COCCC1(NC(=O)c2cc3c(cc2[O-])CCCC3)CCC1 ZINC000436903059 297043459 /nfs/dbraw/zinc/04/34/59/297043459.db2.gz LWGJMMRVIKYYLI-UHFFFAOYSA-N -1 3 303.402 2.960 20 0 DFADHM C/C=C/C[C@H](NC(=O)c1ccc(CC)cc1[O-])C(=O)OCC ZINC000436837304 297038758 /nfs/dbraw/zinc/03/87/58/297038758.db2.gz FQUMUXPHKIYSRV-GBXSZLQWSA-N -1 3 305.374 2.582 20 0 DFADHM COc1ccc(OC)c(CNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436901410 297043480 /nfs/dbraw/zinc/04/34/80/297043480.db2.gz MJMDAJBIGHXZCS-UHFFFAOYSA-N -1 3 301.342 2.648 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCCOc2ccccc2)cc1[O-] ZINC000436856276 297039920 /nfs/dbraw/zinc/03/99/20/297039920.db2.gz MAFBBUVTPCADPE-UHFFFAOYSA-N -1 3 313.353 2.794 20 0 DFADHM C[C@H]1CCCC[C@@H]1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436851476 297040079 /nfs/dbraw/zinc/04/00/79/297040079.db2.gz LMIWSOONSAVWHG-JKSUJKDBSA-N -1 3 316.445 2.976 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2ccc(OC(F)F)cn2)c1[O-] ZINC000436861383 297040570 /nfs/dbraw/zinc/04/05/70/297040570.db2.gz UDVCNIUIWYGASR-UHFFFAOYSA-N -1 3 324.283 2.958 20 0 DFADHM O=C(NC1(CCO)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436866273 297040829 /nfs/dbraw/zinc/04/08/29/297040829.db2.gz XPTASQMQKPDCAU-UHFFFAOYSA-N -1 3 313.353 2.829 20 0 DFADHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)[C@H]1CCCCO1 ZINC000436881908 297041842 /nfs/dbraw/zinc/04/18/42/297041842.db2.gz VRZWNNCPRWEBOE-YVEFUNNKSA-N -1 3 303.402 2.958 20 0 DFADHM Cc1ccc([O-])c(-c2nc(CC(=O)NCc3ccccc3)no2)c1 ZINC000436888172 297041996 /nfs/dbraw/zinc/04/19/96/297041996.db2.gz QPUBKJWPFMVGAJ-UHFFFAOYSA-N -1 3 323.352 2.610 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(F)c(NC(N)=O)c2)c([O-])c1 ZINC000436886921 297042061 /nfs/dbraw/zinc/04/20/61/297042061.db2.gz VDDCHLHCJZTVMC-UHFFFAOYSA-N -1 3 317.320 2.837 20 0 DFADHM CC(C)c1ccc(C(=O)N(C)C[C@H](O)C(F)(F)F)c([O-])c1 ZINC000436893414 297042536 /nfs/dbraw/zinc/04/25/36/297042536.db2.gz AOHLZXCWJLOQAN-LBPRGKRZSA-N -1 3 305.296 2.511 20 0 DFADHM CC(C)[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCO1 ZINC000436892119 297042718 /nfs/dbraw/zinc/04/27/18/297042718.db2.gz ZNLNBPXOGYPLOI-QGZVFWFLSA-N -1 3 303.402 2.768 20 0 DFADHM CC(C)c1ccc(C(=O)N(C)C[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000436893413 297042720 /nfs/dbraw/zinc/04/27/20/297042720.db2.gz AOHLZXCWJLOQAN-GFCCVEGCSA-N -1 3 305.296 2.511 20 0 DFADHM Cc1ccc(C(=O)NCCOCC(F)(F)C(F)F)c([O-])c1C ZINC000436895686 297042947 /nfs/dbraw/zinc/04/29/47/297042947.db2.gz JXTNLZLFEMFRBQ-UHFFFAOYSA-N -1 3 323.286 2.656 20 0 DFADHM COc1cccc([C@H](C)NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436907735 297043936 /nfs/dbraw/zinc/04/39/36/297043936.db2.gz SXSUWVWMVJFHLQ-NSHDSACASA-N -1 3 301.342 2.900 20 0 DFADHM COC(=O)CC1(CNC(=O)c2ccc([O-])c(C)c2)CCCCC1 ZINC000436914664 297044420 /nfs/dbraw/zinc/04/44/20/297044420.db2.gz MDFCAZXLJLLCCZ-UHFFFAOYSA-N -1 3 319.401 2.944 20 0 DFADHM Cc1cccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)no2)c1[O-] ZINC000436934733 297045734 /nfs/dbraw/zinc/04/57/34/297045734.db2.gz MGQBSMLLCOYTED-UHFFFAOYSA-N -1 3 308.297 3.000 20 0 DFADHM COC[C@H](NC(=O)c1ccc([O-])c(C)c1)c1ccc(F)cc1 ZINC000436939126 297046405 /nfs/dbraw/zinc/04/64/05/297046405.db2.gz NTVAWRQCDNOZEX-HNNXBMFYSA-N -1 3 303.333 2.957 20 0 DFADHM O=C(c1c([O-])cccc1F)N1CCN(CC2CCCCC2)CC1 ZINC000436948271 297047365 /nfs/dbraw/zinc/04/73/65/297047365.db2.gz TYJSIOOJCZMSLV-UHFFFAOYSA-N -1 3 320.408 2.869 20 0 DFADHM O=C(Nc1ccnc2ccnn21)c1ccc2c(c1[O-])CCCC2 ZINC000436973883 297048716 /nfs/dbraw/zinc/04/87/16/297048716.db2.gz ZPHHNGYMDWDXAT-UHFFFAOYSA-N -1 3 308.341 2.566 20 0 DFADHM O=C(NC[C@H]1CCCC[C@H]1O)c1ccc2c(c1[O-])CCCC2 ZINC000436970743 297048948 /nfs/dbraw/zinc/04/89/48/297048948.db2.gz MJWLIFQRBYGAEU-CZUORRHYSA-N -1 3 303.402 2.552 20 0 DFADHM CC1(C)[C@H](NC(=O)c2ccc3c(c2[O-])CCCC3)[C@@H]2CCO[C@@H]21 ZINC000436973486 297049021 /nfs/dbraw/zinc/04/90/21/297049021.db2.gz XXDCBKKHNPZHPQ-UAGQMJEPSA-N -1 3 315.413 2.814 20 0 DFADHM C[C@@]1(NC(=O)c2ccc3c(c2[O-])CCCC3)CCO[C@@H]1C1CC1 ZINC000436982616 297049776 /nfs/dbraw/zinc/04/97/76/297049776.db2.gz UJHRXJUFKXSILT-IEBWSBKVSA-N -1 3 315.413 2.958 20 0 DFADHM Cc1ccc(C(=O)Nc2cncnc2N2CCCC2)c([O-])c1C ZINC000436986459 297050190 /nfs/dbraw/zinc/05/01/90/297050190.db2.gz GAHADDKQTLVFLS-UHFFFAOYSA-N -1 3 312.373 2.652 20 0 DFADHM CC(C)[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCO1 ZINC000436987746 297050239 /nfs/dbraw/zinc/05/02/39/297050239.db2.gz JPBSPNXBWGAFMP-INIZCTEOSA-N -1 3 303.402 2.768 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC(O)(CC)CC2)c([O-])c1 ZINC000436988882 297050506 /nfs/dbraw/zinc/05/05/06/297050506.db2.gz PTVLYPIYRPCMDI-UHFFFAOYSA-N -1 3 321.417 2.948 20 0 DFADHM O=C(Nc1nc(-c2cccs2)ns1)c1c([O-])cccc1O ZINC000436994068 297050946 /nfs/dbraw/zinc/05/09/46/297050946.db2.gz AHAGMWVUNSYYFQ-UHFFFAOYSA-N -1 3 319.367 2.930 20 0 DFADHM Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000437000273 297051673 /nfs/dbraw/zinc/05/16/73/297051673.db2.gz OXIUREZIKUDZCS-GDBMZVCRSA-N -1 3 315.344 2.788 20 0 DFADHM CC(C)[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)C(C)(C)O ZINC000437007482 297052734 /nfs/dbraw/zinc/05/27/34/297052734.db2.gz YMBDHTZBYBOTCN-INIZCTEOSA-N -1 3 305.418 2.796 20 0 DFADHM O=S(=O)([N-]c1c(F)cccc1Br)c1ccco1 ZINC000437683827 297068887 /nfs/dbraw/zinc/06/88/87/297068887.db2.gz VEYIMPNPUNEFNW-UHFFFAOYSA-N -1 3 320.139 2.982 20 0 DFADHM O=C(Nc1cccc(-c2ncco2)c1)c1ccc2n[n-]nc2c1 ZINC000155182923 295314040 /nfs/dbraw/zinc/31/40/40/295314040.db2.gz UAYYKEIYABZLRX-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM O=C(Cn1ncc2ccccc21)N1CCCc2cccc([O-])c21 ZINC000155671899 295322990 /nfs/dbraw/zinc/32/29/90/295322990.db2.gz OLGYBTITXOETDD-UHFFFAOYSA-N -1 3 307.353 2.721 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000155911791 295327842 /nfs/dbraw/zinc/32/78/42/295327842.db2.gz QAUMVVSAJIWXLL-NEPJUHHUSA-N -1 3 309.412 2.591 20 0 DFADHM Cc1nn(C)c(Cl)c1/C=C/C(=O)NCc1ccc([O-])c(F)c1 ZINC000156233561 295333484 /nfs/dbraw/zinc/33/34/84/295333484.db2.gz HBIGWAQBLYXAIH-GQCTYLIASA-N -1 3 323.755 2.556 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CCCO1 ZINC000157803829 295353665 /nfs/dbraw/zinc/35/36/65/295353665.db2.gz AIBZYEJKFXNBGV-NEPJUHHUSA-N -1 3 321.801 2.715 20 0 DFADHM CCc1cnccc1C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000159273090 295374987 /nfs/dbraw/zinc/37/49/87/295374987.db2.gz TYIBFTBSVSIBGP-UHFFFAOYSA-N -1 3 324.340 2.559 20 0 DFADHM CCc1cnccc1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000159273090 295374989 /nfs/dbraw/zinc/37/49/89/295374989.db2.gz TYIBFTBSVSIBGP-UHFFFAOYSA-N -1 3 324.340 2.559 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000370565924 295460936 /nfs/dbraw/zinc/46/09/36/295460936.db2.gz PHYCGDKQQMSVFZ-WKPIXPDZSA-N -1 3 320.414 2.762 20 0 DFADHM CC/C=C/C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000395167754 295482456 /nfs/dbraw/zinc/48/24/56/295482456.db2.gz PUHYKRVJLLPDMJ-ONEGZZNKSA-N -1 3 322.199 2.833 20 0 DFADHM C[C@@H](CNCc1cccc([O-])c1Br)C[C@H](C)O ZINC000398618834 295491543 /nfs/dbraw/zinc/49/15/43/295491543.db2.gz FSJIEPMYUHXFOV-ZJUUUORDSA-N -1 3 302.212 2.651 20 0 DFADHM Cc1cccc([C@@H](C)NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000411096002 295524383 /nfs/dbraw/zinc/52/43/83/295524383.db2.gz RFGANEYBHMVUIU-GFCCVEGCSA-N -1 3 313.401 2.917 20 0 DFADHM COc1c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cnn1C ZINC000412321222 295612170 /nfs/dbraw/zinc/61/21/70/295612170.db2.gz OUBFVWWKPMZAOT-UHFFFAOYSA-N -1 3 303.362 2.684 20 0 DFADHM CC[C@H]1CCCC[C@H]1CNC(=O)c1c[n-]c2ccncc2c1=O ZINC000412379708 295617496 /nfs/dbraw/zinc/61/74/96/295617496.db2.gz WVAYNQWDPICTPZ-STQMWFEESA-N -1 3 313.401 2.869 20 0 DFADHM CCOC[C@H]1CCCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412417270 295621144 /nfs/dbraw/zinc/62/11/44/295621144.db2.gz KHZXNNSKAFMGDW-CQSZACIVSA-N -1 3 305.374 2.626 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cncs2)c(F)cc1F ZINC000439196437 297118410 /nfs/dbraw/zinc/11/84/10/297118410.db2.gz DYQPKDAFDQPJMT-QMMMGPOBSA-N -1 3 318.370 2.769 20 0 DFADHM Cc1nc([N-]C(=O)c2c(F)cccc2F)n(-c2ccccc2)n1 ZINC000440133592 297145140 /nfs/dbraw/zinc/14/51/40/297145140.db2.gz QESYHNCRVPSSDT-UHFFFAOYSA-N -1 3 314.295 2.528 20 0 DFADHM COc1cc(C(=O)NCc2cccc(-n3ccnc3)c2)ccc1[O-] ZINC000442646134 297199094 /nfs/dbraw/zinc/19/90/94/297199094.db2.gz GTUPFAWAKVPYGC-UHFFFAOYSA-N -1 3 323.352 2.517 20 0 DFADHM COc1ccc(NC(=O)CSC[C@@H]2CCCCO2)c([O-])c1 ZINC000442707819 297202207 /nfs/dbraw/zinc/20/22/07/297202207.db2.gz XDVSJEZNHOIBNR-LBPRGKRZSA-N -1 3 311.403 2.642 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@@H]1CCC[C@@H](O)C1 ZINC000442795254 297206733 /nfs/dbraw/zinc/20/67/33/297206733.db2.gz DUWCZUIXQDBNSL-RKDXNWHRSA-N -1 3 319.279 2.780 20 0 DFADHM 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315.373 2.965 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@H](c2ccccc2)C(C)C)[n-]n1 ZINC000181750081 316071286 /nfs/dbraw/zinc/07/12/86/316071286.db2.gz MCXYPPCEYHGYDP-HNNXBMFYSA-N -1 3 315.373 2.965 20 0 DFADHM COc1cc(C(=O)[N-]c2cc(-c3cc(C)cc(C)c3)[nH]n2)on1 ZINC000182137272 316087422 /nfs/dbraw/zinc/08/74/22/316087422.db2.gz SHXSQTKEEFDTNM-UHFFFAOYSA-N -1 3 312.329 2.942 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N(Cc1ccc(F)cc1)C1CC1 ZINC000182692173 316113616 /nfs/dbraw/zinc/11/36/16/316113616.db2.gz WSEKIWNOUCSASB-UHFFFAOYSA-N -1 3 310.332 2.902 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N(Cc1ccc(F)cc1)C1CC1 ZINC000182692173 316113619 /nfs/dbraw/zinc/11/36/19/316113619.db2.gz WSEKIWNOUCSASB-UHFFFAOYSA-N -1 3 310.332 2.902 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N(Cc1ccc(F)cc1)C1CC1 ZINC000182692173 316113621 /nfs/dbraw/zinc/11/36/21/316113621.db2.gz WSEKIWNOUCSASB-UHFFFAOYSA-N -1 3 310.332 2.902 20 0 DFADHM O=C(NCCCn1ccc2ccccc21)c1cccc2nn[n-]c21 ZINC000182685144 316113816 /nfs/dbraw/zinc/11/38/16/316113816.db2.gz YUEZNEVNKKLBQC-UHFFFAOYSA-N -1 3 319.368 2.733 20 0 DFADHM O=C(NCCCn1ccc2ccccc21)c1cccc2[n-]nnc21 ZINC000182685144 316113819 /nfs/dbraw/zinc/11/38/19/316113819.db2.gz YUEZNEVNKKLBQC-UHFFFAOYSA-N -1 3 319.368 2.733 20 0 DFADHM O=C(NCCCn1ccc2ccccc21)c1cccc2n[n-]nc21 ZINC000182685144 316113823 /nfs/dbraw/zinc/11/38/23/316113823.db2.gz YUEZNEVNKKLBQC-UHFFFAOYSA-N -1 3 319.368 2.733 20 0 DFADHM CCOc1cccc([C@@H](C)NC(=O)c2cccc3nn[n-]c32)c1 ZINC000182749013 316116341 /nfs/dbraw/zinc/11/63/41/316116341.db2.gz WJHSPLOYSDYZOL-LLVKDONJSA-N -1 3 310.357 2.848 20 0 DFADHM CCOc1cccc([C@@H](C)NC(=O)c2cccc3[n-]nnc32)c1 ZINC000182749013 316116343 /nfs/dbraw/zinc/11/63/43/316116343.db2.gz WJHSPLOYSDYZOL-LLVKDONJSA-N -1 3 310.357 2.848 20 0 DFADHM CCOc1cccc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)c1 ZINC000182749013 316116347 /nfs/dbraw/zinc/11/63/47/316116347.db2.gz WJHSPLOYSDYZOL-LLVKDONJSA-N -1 3 310.357 2.848 20 0 DFADHM CC(C)(CNC(=O)c1cccc2nn[n-]c21)c1ccccc1F ZINC000182755766 316116662 /nfs/dbraw/zinc/11/66/62/316116662.db2.gz BGOFTNFEHGHJLR-UHFFFAOYSA-N -1 3 312.348 2.805 20 0 DFADHM CC(C)(CNC(=O)c1cccc2[n-]nnc21)c1ccccc1F ZINC000182755766 316116663 /nfs/dbraw/zinc/11/66/63/316116663.db2.gz BGOFTNFEHGHJLR-UHFFFAOYSA-N -1 3 312.348 2.805 20 0 DFADHM CC(C)(CNC(=O)c1cccc2n[n-]nc21)c1ccccc1F ZINC000182755766 316116666 /nfs/dbraw/zinc/11/66/66/316116666.db2.gz BGOFTNFEHGHJLR-UHFFFAOYSA-N -1 3 312.348 2.805 20 0 DFADHM O=C(NCCCc1ccc(Cl)cc1)c1cccc2nn[n-]c21 ZINC000183528499 316145054 /nfs/dbraw/zinc/14/50/54/316145054.db2.gz PQJBUKRCBIXLKW-UHFFFAOYSA-N -1 3 314.776 2.974 20 0 DFADHM O=C(NCCCc1ccc(Cl)cc1)c1cccc2[n-]nnc21 ZINC000183528499 316145058 /nfs/dbraw/zinc/14/50/58/316145058.db2.gz PQJBUKRCBIXLKW-UHFFFAOYSA-N -1 3 314.776 2.974 20 0 DFADHM O=C(NCCCc1ccc(Cl)cc1)c1cccc2n[n-]nc21 ZINC000183528499 316145063 /nfs/dbraw/zinc/14/50/63/316145063.db2.gz PQJBUKRCBIXLKW-UHFFFAOYSA-N -1 3 314.776 2.974 20 0 DFADHM Cc1cccnc1[C@@H](NC(=O)c1cccc2nn[n-]c21)C(C)C ZINC000183625762 316149120 /nfs/dbraw/zinc/14/91/20/316149120.db2.gz SVURQFGSBYIDNG-AWEZNQCLSA-N -1 3 309.373 2.788 20 0 DFADHM Cc1cccnc1[C@@H](NC(=O)c1cccc2[n-]nnc21)C(C)C ZINC000183625762 316149122 /nfs/dbraw/zinc/14/91/22/316149122.db2.gz SVURQFGSBYIDNG-AWEZNQCLSA-N -1 3 309.373 2.788 20 0 DFADHM Cc1cccnc1[C@@H](NC(=O)c1cccc2n[n-]nc21)C(C)C ZINC000183625762 316149125 /nfs/dbraw/zinc/14/91/25/316149125.db2.gz SVURQFGSBYIDNG-AWEZNQCLSA-N -1 3 309.373 2.788 20 0 DFADHM CC(C)CO[C@@H]1CCN(CCOc2ccccc2C(=O)[O-])C1 ZINC000183930600 316155074 /nfs/dbraw/zinc/15/50/74/316155074.db2.gz AKWSMDQLTISKLA-CQSZACIVSA-N -1 3 307.390 2.511 20 0 DFADHM O=C(NCc1cc(Cl)cc2c1OCC2)c1cccc([O-])c1 ZINC000184873282 316176415 /nfs/dbraw/zinc/17/64/15/316176415.db2.gz SLLFNPJDMOASLV-UHFFFAOYSA-N -1 3 303.745 2.911 20 0 DFADHM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc2[n-]nnc21 ZINC000187707043 316212960 /nfs/dbraw/zinc/21/29/60/316212960.db2.gz PNUCAYRNXKDGJH-BLLLJJGKSA-N -1 3 322.368 2.560 20 0 DFADHM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc2nn[n-]c21 ZINC000187707043 316212962 /nfs/dbraw/zinc/21/29/62/316212962.db2.gz PNUCAYRNXKDGJH-BLLLJJGKSA-N -1 3 322.368 2.560 20 0 DFADHM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc2n[n-]nc21 ZINC000187707043 316212965 /nfs/dbraw/zinc/21/29/65/316212965.db2.gz PNUCAYRNXKDGJH-BLLLJJGKSA-N -1 3 322.368 2.560 20 0 DFADHM CN(CCc1ccc(Cl)cc1)C(=O)c1cccc2[n-]nnc21 ZINC000187961530 316216205 /nfs/dbraw/zinc/21/62/05/316216205.db2.gz OQGPTKVZVOKUKP-UHFFFAOYSA-N -1 3 314.776 2.926 20 0 DFADHM CN(CCc1ccc(Cl)cc1)C(=O)c1cccc2nn[n-]c21 ZINC000187961530 316216208 /nfs/dbraw/zinc/21/62/08/316216208.db2.gz OQGPTKVZVOKUKP-UHFFFAOYSA-N -1 3 314.776 2.926 20 0 DFADHM CN(CCc1ccc(Cl)cc1)C(=O)c1cccc2n[n-]nc21 ZINC000187961530 316216212 /nfs/dbraw/zinc/21/62/12/316216212.db2.gz OQGPTKVZVOKUKP-UHFFFAOYSA-N -1 3 314.776 2.926 20 0 DFADHM CSc1cc(C)ccc1CNC(=O)c1cccc2nn[n-]c21 ZINC000188363468 316221292 /nfs/dbraw/zinc/22/12/92/316221292.db2.gz BQESBJCFWBECDI-UHFFFAOYSA-N -1 3 312.398 2.918 20 0 DFADHM CSc1cc(C)ccc1CNC(=O)c1cccc2[n-]nnc21 ZINC000188363468 316221299 /nfs/dbraw/zinc/22/12/99/316221299.db2.gz BQESBJCFWBECDI-UHFFFAOYSA-N -1 3 312.398 2.918 20 0 DFADHM CSc1cc(C)ccc1CNC(=O)c1cccc2n[n-]nc21 ZINC000188363468 316221306 /nfs/dbraw/zinc/22/13/06/316221306.db2.gz BQESBJCFWBECDI-UHFFFAOYSA-N -1 3 312.398 2.918 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)c1F ZINC000313216076 316238688 /nfs/dbraw/zinc/23/86/88/316238688.db2.gz KFLDPWBJPLQLML-HNNXBMFYSA-N -1 3 319.401 2.970 20 0 DFADHM Cc1cccc(OCC[N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000313240462 316238737 /nfs/dbraw/zinc/23/87/37/316238737.db2.gz SVGAJBUZLSUBDE-UHFFFAOYSA-N -1 3 323.389 2.800 20 0 DFADHM O=C([O-])C[C@H]1CCCN1Cc1coc(-c2cccc(F)c2)n1 ZINC000315051979 316241807 /nfs/dbraw/zinc/24/18/07/316241807.db2.gz YLQIECVSVZRYJZ-CQSZACIVSA-N -1 3 304.321 2.920 20 0 DFADHM COc1ccc(CCN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000315202372 316242604 /nfs/dbraw/zinc/24/26/04/316242604.db2.gz DLUWGNLUMHPOKD-CQSZACIVSA-N -1 3 317.307 2.577 20 0 DFADHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1coc(-c2cccc(F)c2)n1 ZINC000316114248 316244765 /nfs/dbraw/zinc/24/47/65/316244765.db2.gz LDWWQAIFMAZOLV-IINYFYTJSA-N -1 3 304.321 2.776 20 0 DFADHM CN1CCN(C)[C@H](c2noc(-c3cc4ccccc4cc3[O-])n2)C1 ZINC000325561260 316261848 /nfs/dbraw/zinc/26/18/48/316261848.db2.gz XVCCEVUMJNUJHT-HNNXBMFYSA-N -1 3 324.384 2.514 20 0 DFADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)[C@H]2Cc3ccccc3O2)n1 ZINC000336874765 316300093 /nfs/dbraw/zinc/30/00/93/316300093.db2.gz YEJYQCFRDCHZRQ-BLLLJJGKSA-N -1 3 313.401 2.569 20 0 DFADHM c1ccc2c(c1)CCO[C@@H]2c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350521312 316395352 /nfs/dbraw/zinc/39/53/52/316395352.db2.gz SUJHUSNLHJZFOF-HNNXBMFYSA-N -1 3 319.324 2.670 20 0 DFADHM Cc1cccc(-c2nc(-c3ccc(C(=O)N(C)C)nc3)no2)c1[O-] ZINC000350569905 316404454 /nfs/dbraw/zinc/40/44/54/316404454.db2.gz UNVHCEXWXUPPNV-UHFFFAOYSA-N -1 3 324.340 2.514 20 0 DFADHM O=C1Cc2ccc(Cc3nc(-c4ccc([O-])cc4)no3)cc2N1 ZINC000350572557 316405355 /nfs/dbraw/zinc/40/53/55/316405355.db2.gz DKORCLGURRGOQU-UHFFFAOYSA-N -1 3 307.309 2.528 20 0 DFADHM Cc1c(-c2nc(-c3ccc([O-])c4ccccc34)no2)nnn1C ZINC000350575193 316406130 /nfs/dbraw/zinc/40/61/30/316406130.db2.gz HXVDUSFHNTULKD-UHFFFAOYSA-N -1 3 307.313 2.699 20 0 DFADHM O=C1c2ccccc2CN1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000350592621 316410590 /nfs/dbraw/zinc/41/05/90/316410590.db2.gz YVIINRREROZMRY-UHFFFAOYSA-N -1 3 307.309 2.598 20 0 DFADHM CCOc1cc(-c2noc(-c3cnc(C)nc3C)n2)ccc1[O-] ZINC000350795733 316426448 /nfs/dbraw/zinc/42/64/48/316426448.db2.gz SSUOCHHMTSJNRM-UHFFFAOYSA-N -1 3 312.329 2.915 20 0 DFADHM COc1cc(-c2nc(-c3cncs3)no2)cc(OC)c1[O-] ZINC000350912027 316440637 /nfs/dbraw/zinc/44/06/37/316440637.db2.gz UKDOBSBRYFDISP-UHFFFAOYSA-N -1 3 305.315 2.583 20 0 DFADHM Cc1cscc1-c1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000350924079 316442251 /nfs/dbraw/zinc/44/22/51/316442251.db2.gz MNSGRVCGARHIHU-UHFFFAOYSA-N -1 3 302.359 2.810 20 0 DFADHM CCc1noc(C)c1-c1noc(-c2cccc(OC)c2[O-])n1 ZINC000351032401 316454810 /nfs/dbraw/zinc/45/48/10/316454810.db2.gz QAMZKJLATTYKRT-UHFFFAOYSA-N -1 3 301.302 2.977 20 0 DFADHM CCOc1cc(-c2noc(C[C@@H](C)n3cccn3)n2)ccc1[O-] ZINC000351309064 316508375 /nfs/dbraw/zinc/50/83/75/316508375.db2.gz BIUSQIQEWCFMSR-LLVKDONJSA-N -1 3 314.345 2.841 20 0 DFADHM CC(C)[C@@H]1OCCC[C@@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000351462299 316519450 /nfs/dbraw/zinc/51/94/50/316519450.db2.gz NPMUKZUYKWPAOY-FZMZJTMJSA-N -1 3 313.361 2.927 20 0 DFADHM CN(C)CCN(Cc1ccco1)Cc1c(F)ccc([O-])c1F ZINC000353498795 316522743 /nfs/dbraw/zinc/52/27/43/316522743.db2.gz BPZIQGBQBZRSAR-UHFFFAOYSA-N -1 3 310.344 2.827 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)ccc1F ZINC000414480122 316604352 /nfs/dbraw/zinc/60/43/52/316604352.db2.gz TUDOQKUBPNANGL-NSHDSACASA-N -1 3 313.316 2.999 20 0 DFADHM Cc1cc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])ccc1F ZINC000426646083 316822601 /nfs/dbraw/zinc/82/26/01/316822601.db2.gz HJGCJKWQZDIISG-MRXNPFEDSA-N -1 3 321.323 2.895 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(-c2cccs2)o1 ZINC000427133381 316834910 /nfs/dbraw/zinc/83/49/10/316834910.db2.gz NUWWNWZCDWFVJC-UHFFFAOYSA-N -1 3 317.326 2.770 20 0 DFADHM Cc1ncoc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442820252 316944955 /nfs/dbraw/zinc/94/49/55/316944955.db2.gz KEJJGXJVFNSGHD-UHFFFAOYSA-N -1 3 302.208 2.840 20 0 DFADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])cc(OCCO)c1 ZINC000446717751 317019154 /nfs/dbraw/zinc/01/91/54/317019154.db2.gz DXQRKVJAOHQNOP-UHFFFAOYSA-N -1 3 301.342 2.632 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC2(F)F)c1 ZINC000452853397 317139328 /nfs/dbraw/zinc/13/93/28/317139328.db2.gz STYCAORVUQEZPL-SNVBAGLBSA-N -1 3 312.316 2.516 20 0 DFADHM C[C@@]12CN(C(=O)c3cc(=O)c4ccccc4[n-]3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000456097584 317222336 /nfs/dbraw/zinc/22/23/36/317222336.db2.gz LQIZHGMDLDTHNK-VVILHGPQSA-N -1 3 320.392 2.812 20 0 DFADHM COc1ccc2c(c1)CN(C(=O)c1cccc(C)c1[O-])CCO2 ZINC000456167591 317224528 /nfs/dbraw/zinc/22/45/28/317224528.db2.gz XAZIWOKJRUAXQN-UHFFFAOYSA-N -1 3 313.353 2.744 20 0 DFADHM Cc1cccc(C(=O)N2CCC(OCCOC(C)C)CC2)c1[O-] ZINC000456815374 317255188 /nfs/dbraw/zinc/25/51/88/317255188.db2.gz DXGHJBIGXCFILH-UHFFFAOYSA-N -1 3 321.417 2.747 20 0 DFADHM CC[C@H]1CO[C@@H](C)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459301839 317314826 /nfs/dbraw/zinc/31/48/26/317314826.db2.gz NCLKAPPYVSEPKM-BBRMVZONSA-N -1 3 313.401 2.849 20 0 DFADHM CN(Cc1ccc(F)c(F)c1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459304995 317316396 /nfs/dbraw/zinc/31/63/96/317316396.db2.gz HETIUYAFQYUEEH-UHFFFAOYSA-N -1 3 305.328 2.970 20 0 DFADHM Cc1cc([C@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)on1 ZINC000459312321 317317375 /nfs/dbraw/zinc/31/73/75/317317375.db2.gz YUSKLENKBQMENS-CYBMUJFWSA-N -1 3 300.362 2.693 20 0 DFADHM O=c1cc(CN2CC[C@H](Nc3ccccc3)C2)nc(C2CC2)[n-]1 ZINC000459364612 317321621 /nfs/dbraw/zinc/32/16/21/317321621.db2.gz JCSLGGGNCKAQGU-HNNXBMFYSA-N -1 3 310.401 2.746 20 0 DFADHM C[C@@H](O)C[C@H]1CCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459379653 317324092 /nfs/dbraw/zinc/32/40/92/317324092.db2.gz SQNMVHLCTJYBQJ-CZUORRHYSA-N -1 3 313.401 2.585 20 0 DFADHM C[C@@H](CNCc1cccc([O-])c1Br)Cn1ccnc1 ZINC000459391394 317324740 /nfs/dbraw/zinc/32/47/40/317324740.db2.gz UVHZNXFZWOQMSZ-NSHDSACASA-N -1 3 324.222 2.777 20 0 DFADHM COc1cccc(C2(NCc3cc(=O)[n-]c(C4CC4)n3)CC2)c1 ZINC000459382065 317325106 /nfs/dbraw/zinc/32/51/06/317325106.db2.gz DVWAJYMURGTKAF-UHFFFAOYSA-N -1 3 311.385 2.847 20 0 DFADHM CC[C@@](C)(NCc1cc(=O)[n-]c(C2CC2)n1)c1nccs1 ZINC000459381260 317325118 /nfs/dbraw/zinc/32/51/18/317325118.db2.gz RFRHEFHXXVTTKN-OAHLLOKOSA-N -1 3 304.419 2.931 20 0 DFADHM CCc1cc(C(=O)NC[C@H](CC(C)C)C(=O)OC)ccc1[O-] ZINC000486466935 317342445 /nfs/dbraw/zinc/34/24/45/317342445.db2.gz LDLIDDJONNDFNW-AWEZNQCLSA-N -1 3 307.390 2.520 20 0 DFADHM COc1ccc(OCC(=O)NCc2ccc([O-])c(F)c2)cc1C ZINC000488218432 317376082 /nfs/dbraw/zinc/37/60/82/317376082.db2.gz KVJKDXHPNOTZGE-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/35/18/02/323351802.db2.gz SBMAYQOKZUDAAL-LBPRGKRZSA-N -1 3 314.385 2.920 20 0 DFADHM CC(C)N(C(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C)c1ccccc1 ZINC000397396785 323355380 /nfs/dbraw/zinc/35/53/80/323355380.db2.gz AMBXPTSNRGAWFY-CABCVRRESA-N -1 3 318.417 2.613 20 0 DFADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000398788745 323358577 /nfs/dbraw/zinc/35/85/77/323358577.db2.gz PFUXOGAVEUMZMR-KOLCDFICSA-N -1 3 311.765 2.611 20 0 DFADHM O=C([O-])Cc1ccccc1CNCc1cccc(-n2cccn2)c1 ZINC000580288219 323364481 /nfs/dbraw/zinc/36/44/81/323364481.db2.gz VFSMVOPJUGBUCI-UHFFFAOYSA-N -1 3 321.380 2.789 20 0 DFADHM COC(=O)[C@H]1CC[C@H](C(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000580366265 323375170 /nfs/dbraw/zinc/37/51/70/323375170.db2.gz WAMFXUMCHWQPFX-MGCOHNPYSA-N -1 3 311.765 2.964 20 0 DFADHM Cc1ccc(C2CC2)c(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1 ZINC000581126793 323479023 /nfs/dbraw/zinc/47/90/23/323479023.db2.gz DEMHAFKSBSAXEC-UHFFFAOYSA-N -1 3 309.369 2.567 20 0 DFADHM C[C@H]1CCCC[C@]1(C)NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000583189842 323811454 /nfs/dbraw/zinc/81/14/54/323811454.db2.gz ZAFLMICYPZPERW-LRDDRELGSA-N -1 3 321.446 2.567 20 0 DFADHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@H](C)C(C)(C)C)c2=O ZINC000583270483 323825690 /nfs/dbraw/zinc/82/56/90/323825690.db2.gz UBSLLTIVZPAWRK-SECBINFHSA-N -1 3 320.364 2.840 20 0 DFADHM CCc1cccc(C(=O)NCc2nnc(C3CC3)s2)c1[O-] ZINC000583368300 323842479 /nfs/dbraw/zinc/84/24/79/323842479.db2.gz JOTWAQJWEVLRMI-UHFFFAOYSA-N -1 3 303.387 2.614 20 0 DFADHM CCOc1ccccc1N1CCN(Cc2ncccc2[O-])CC1 ZINC000583961322 323941508 /nfs/dbraw/zinc/94/15/08/323941508.db2.gz UYESYIDTTLCTQF-UHFFFAOYSA-N -1 3 313.401 2.508 20 0 DFADHM CCOc1cnc(-c2noc(-c3cccc(CC)c3[O-])n2)cn1 ZINC000584032663 331592008 /nfs/dbraw/zinc/59/20/08/331592008.db2.gz KXAAJDJDUPYIEP-UHFFFAOYSA-N -1 3 312.329 2.860 20 0 DFADHM Cc1ccccc1OCCCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000584350405 336060502 /nfs/dbraw/zinc/06/05/02/336060502.db2.gz HXAHFLBJPWEENA-UHFFFAOYSA-N -1 3 312.329 2.552 20 0 DFADHM NCc1cc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)co1 ZINC000584467922 337347494 /nfs/dbraw/zinc/34/74/94/337347494.db2.gz OUZSVKKPNLATPH-UHFFFAOYSA-N -1 3 320.418 2.965 20 0 DFADHM COc1cc(OC)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1F ZINC000120601277 500842465 /nfs/dbraw/zinc/84/24/65/500842465.db2.gz BFASTVZCBMFPIC-UHFFFAOYSA-N -1 3 310.237 2.596 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCOC3(C)C)c[n-]c12 ZINC000295806711 533846796 /nfs/dbraw/zinc/84/67/96/533846796.db2.gz GOCCNKAISAVLHD-ZDUSSCGKSA-N -1 3 318.348 2.685 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1c1nc2nncc-2c(O)[n-]1 ZINC000294883877 533998733 /nfs/dbraw/zinc/99/87/33/533998733.db2.gz FNVOWTKYSXHQLG-WZRBSPASSA-N -1 3 309.373 2.829 20 0 DFADHM C[C@H]([N-]c1noc(C(C)(C)C)n1)C(=O)N1CCc2ccccc21 ZINC000302144989 534034264 /nfs/dbraw/zinc/03/42/64/534034264.db2.gz QRNCJYZAOHSFQR-NSHDSACASA-N -1 3 314.389 2.757 20 0 DFADHM Cc1ccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cn1 ZINC000332596562 534049455 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CCOc1cccc(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000156106035 521355925 /nfs/dbraw/zinc/35/59/25/521355925.db2.gz BZKSTNOPSVJIKZ-UHFFFAOYSA-N -1 3 318.348 2.929 20 0 DFADHM CN(C[C@@H]1CCCN1C(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000366310263 523042139 /nfs/dbraw/zinc/04/21/39/523042139.db2.gz CWHOAOMKZAJAOL-ZDUSSCGKSA-N -1 3 317.414 2.590 20 0 DFADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@H]1CCCc2ccccc21 ZINC000331820161 534700640 /nfs/dbraw/zinc/70/06/40/534700640.db2.gz XXVAGAHGHBGZFX-NSHDSACASA-N -1 3 324.306 2.560 20 0 DFADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCc2ccccc21 ZINC000331820161 534700645 /nfs/dbraw/zinc/70/06/45/534700645.db2.gz XXVAGAHGHBGZFX-NSHDSACASA-N -1 3 324.306 2.560 20 0 DFADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CCCc2ccccc21 ZINC000331820161 534700652 /nfs/dbraw/zinc/70/06/52/534700652.db2.gz XXVAGAHGHBGZFX-NSHDSACASA-N -1 3 324.306 2.560 20 0 DFADHM Cc1cccc(C(=O)NC(C)(C)C(=O)NCC2CCCC2)c1[O-] ZINC000156843227 524188426 /nfs/dbraw/zinc/18/84/26/524188426.db2.gz KLJMBQCDODJUIR-UHFFFAOYSA-N -1 3 318.417 2.515 20 0 DFADHM Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccccc3[O-])C2)nc1 ZINC000366025240 524949669 /nfs/dbraw/zinc/94/96/69/524949669.db2.gz QJDSNHMRSXYFLH-CQSZACIVSA-N -1 3 311.385 2.951 20 0 DFADHM C[C@@H]1COCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000366379266 525110878 /nfs/dbraw/zinc/11/08/78/525110878.db2.gz MHBSSOIFINKCCF-VIFPVBQESA-N -1 3 303.280 2.520 20 0 DFADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1F ZINC000103060653 525288107 /nfs/dbraw/zinc/28/81/07/525288107.db2.gz FCDDYVCZKGVBFY-UHFFFAOYSA-N -1 3 307.346 2.870 20 0 DFADHM Cc1ccccc1[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)CCO1 ZINC000364967135 525385424 /nfs/dbraw/zinc/38/54/24/525385424.db2.gz KPFOCHHNJFECHT-DKFQHHCZSA-N -1 3 324.380 2.709 20 0 DFADHM C[C@@H]1N(Cc2nc(=O)c3sccc3[n-]2)CCC12CCOCC2 ZINC000363799522 525547067 /nfs/dbraw/zinc/54/70/67/525547067.db2.gz KYQCAAOCQRUODF-NSHDSACASA-N -1 3 319.430 2.788 20 0 DFADHM CSc1ccc(C(=O)N2CCn3c(C)c(C)nc3C2)c([O-])c1 ZINC000368936292 525962450 /nfs/dbraw/zinc/96/24/50/525962450.db2.gz AAEJEOZMPMRRRE-UHFFFAOYSA-N -1 3 317.414 2.583 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](Oc2cccnc2)C1 ZINC000365997684 526625055 /nfs/dbraw/zinc/62/50/55/526625055.db2.gz BMRDTLBRCZUNCL-CYBMUJFWSA-N -1 3 318.760 2.734 20 0 DFADHM O=C(c1cccc([O-])c1)N1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000365023704 526769119 /nfs/dbraw/zinc/76/91/19/526769119.db2.gz VVDMMPSDLMYAKI-GOSISDBHSA-N -1 3 319.364 2.834 20 0 DFADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)[N-]OC(C)(C)CO)cc1 ZINC000296821859 526790837 /nfs/dbraw/zinc/79/08/37/526790837.db2.gz GEUVMIVJBQQKJZ-HNNXBMFYSA-N -1 3 323.433 2.616 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC(COc2ccccc2)CC1 ZINC000364216194 526906729 /nfs/dbraw/zinc/90/67/29/526906729.db2.gz LCEJRGZXPUBKKX-UHFFFAOYSA-N -1 3 318.398 2.780 20 0 DFADHM O=C(C[C@H]1CCCN1C(=O)c1csc(=O)[n-]1)c1cccs1 ZINC000364216267 527168085 /nfs/dbraw/zinc/16/80/85/527168085.db2.gz MGADAYNEWKQSEO-SECBINFHSA-N -1 3 322.411 2.788 20 0 DFADHM O=S(=O)([N-]C[C@@H]1[C@@H]2CCc3ccccc3[C@H]12)c1ccco1 ZINC000364120522 527224760 /nfs/dbraw/zinc/22/47/60/527224760.db2.gz LOPQJXLHDVRYFX-LZWOXQAQSA-N -1 3 303.383 2.534 20 0 DFADHM O=S(=O)([N-]C[C@@H]1C[C@]12CCCc1ccccc12)c1ccco1 ZINC000364115115 527226069 /nfs/dbraw/zinc/22/60/69/527226069.db2.gz HSRMTPKYQWUSDL-WMLDXEAASA-N -1 3 317.410 2.852 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2cc(C)no2)cc1[O-] ZINC000331779248 527243448 /nfs/dbraw/zinc/24/34/48/527243448.db2.gz DRGLIIGXPOKCSQ-AWEZNQCLSA-N -1 3 314.341 2.869 20 0 DFADHM CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000330842444 527470342 /nfs/dbraw/zinc/47/03/42/527470342.db2.gz WSLYASBZMANNRM-AWEZNQCLSA-N -1 3 308.353 2.507 20 0 DFADHM CC(C)[C@H](O)C(C)(C)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000305325215 527711322 /nfs/dbraw/zinc/71/13/22/527711322.db2.gz MABJJZJQAKHLSN-HNNXBMFYSA-N -1 3 313.825 2.747 20 0 DFADHM CCC[C@@H](OC)C(=O)Nc1cc(Br)ccc1[O-] ZINC000294818945 527720987 /nfs/dbraw/zinc/72/09/87/527720987.db2.gz CNLDFJONFVXGHD-LLVKDONJSA-N -1 3 302.168 2.908 20 0 DFADHM CCC[C@@H](OC)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000294961628 527725300 /nfs/dbraw/zinc/72/53/00/527725300.db2.gz MQGLEIHVOMEKRX-SNVBAGLBSA-N -1 3 310.304 2.504 20 0 DFADHM CCC[C@@H](OC)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000294961628 527725305 /nfs/dbraw/zinc/72/53/05/527725305.db2.gz MQGLEIHVOMEKRX-SNVBAGLBSA-N -1 3 310.304 2.504 20 0 DFADHM CCC[C@@H](OC)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000294961628 527725309 /nfs/dbraw/zinc/72/53/09/527725309.db2.gz MQGLEIHVOMEKRX-SNVBAGLBSA-N -1 3 310.304 2.504 20 0 DFADHM CC1(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCC1 ZINC000331259887 527985842 /nfs/dbraw/zinc/98/58/42/527985842.db2.gz ATOCVTNTKGXSFZ-UHFFFAOYSA-N -1 3 322.352 2.959 20 0 DFADHM CC(C)O[N-]C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000295752293 528045801 /nfs/dbraw/zinc/04/58/01/528045801.db2.gz UUTBXWZODDCCDP-UHFFFAOYSA-N -1 3 309.753 2.779 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2OC)c([O-])c1 ZINC000293312135 528235732 /nfs/dbraw/zinc/23/57/32/528235732.db2.gz FDYTVLREVCVDFS-IUODEOHRSA-N -1 3 321.373 2.713 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000330625958 528236155 /nfs/dbraw/zinc/23/61/55/528236155.db2.gz UMBDFZMSBQMHCV-PTEHBNRSSA-N -1 3 321.373 2.711 20 0 DFADHM CCOc1cc(CN(CC(=O)OC)C2CC2)cc(Cl)c1[O-] ZINC000297563987 528260793 /nfs/dbraw/zinc/26/07/93/528260793.db2.gz CKONFGMXRVOTCM-UHFFFAOYSA-N -1 3 313.781 2.582 20 0 DFADHM CCCN[C@@H](C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000295881150 528544702 /nfs/dbraw/zinc/54/47/02/528544702.db2.gz XYJVZFROEBFKKL-VIFPVBQESA-N -1 3 315.211 2.790 20 0 DFADHM CCOCC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000292698766 528580663 /nfs/dbraw/zinc/58/06/63/528580663.db2.gz DBBWWDRLPZZJBK-UHFFFAOYSA-N -1 3 309.790 2.573 20 0 DFADHM CC(C)N(C(=O)c1cc2c(cc1[O-])CCCC2)[C@@H]1CCOC1 ZINC000292698264 528788192 /nfs/dbraw/zinc/78/81/92/528788192.db2.gz DQXIEBZDVYTZCO-OAHLLOKOSA-N -1 3 303.402 2.911 20 0 DFADHM CCC[C@@H](C)CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000299477698 528875682 /nfs/dbraw/zinc/87/56/82/528875682.db2.gz DWTNRNJQMRGXMJ-DIFFPNOSSA-N -1 3 317.389 2.506 20 0 DFADHM CC[C@@H](C)CON=C([O-])Nc1cc(OC)c(OC)cc1F ZINC000293059616 529329293 /nfs/dbraw/zinc/32/92/93/529329293.db2.gz YUJJAZSQSFHIFY-SECBINFHSA-N -1 3 300.330 2.942 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(OC)c(OC)cc1F ZINC000293059616 529329294 /nfs/dbraw/zinc/32/92/94/529329294.db2.gz YUJJAZSQSFHIFY-SECBINFHSA-N -1 3 300.330 2.942 20 0 DFADHM CCC(CC)CS(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)no1 ZINC000174040623 535033821 /nfs/dbraw/zinc/03/38/21/535033821.db2.gz LUCFNOFUCIBBGV-SNVBAGLBSA-N -1 3 317.455 2.784 20 0 DFADHM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C)o2)C1(C)C ZINC000358604771 535319934 /nfs/dbraw/zinc/31/99/34/535319934.db2.gz SBDWMQKCQCYNLW-CHWSQXEVSA-N -1 3 315.435 2.850 20 0 DFADHM CCc1noc(C)c1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000354874613 535878756 /nfs/dbraw/zinc/87/87/56/535878756.db2.gz DCTCHSQMEPCHDL-UHFFFAOYSA-N -1 3 308.765 2.763 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)ccc1[O-] ZINC000362894273 536107668 /nfs/dbraw/zinc/10/76/68/536107668.db2.gz PHIWSNROMAWLDH-AWEZNQCLSA-N -1 3 319.401 2.901 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1[O-] ZINC000174052503 537085677 /nfs/dbraw/zinc/08/56/77/537085677.db2.gz YEXYCOJZMNJXLW-ZIAGYGMSSA-N -1 3 315.373 2.511 20 0 DFADHM COc1ccc(CNCCOC(C)C)c(Br)c1[O-] ZINC000680651017 545525410 /nfs/dbraw/zinc/52/54/10/545525410.db2.gz RWHNFBJWWVBNGV-UHFFFAOYSA-N -1 3 318.211 2.678 20 0 DFADHM O=C(c1ccccc1[O-])N1CCN([C@@H]2CCc3ccccc32)CC1 ZINC000681672399 545698092 /nfs/dbraw/zinc/69/80/92/545698092.db2.gz DBJFBBVKDSLPLW-GOSISDBHSA-N -1 3 322.408 2.838 20 0 DFADHM CCN1CCc2ccc(NC(=O)c3cccc4nn[n-]c43)cc21 ZINC000682158910 545807981 /nfs/dbraw/zinc/80/79/81/545807981.db2.gz RIFSAOZSAOHWSM-UHFFFAOYSA-N -1 3 307.357 2.593 20 0 DFADHM CCN1CCc2ccc(NC(=O)c3cccc4[n-]nnc43)cc21 ZINC000682158910 545807984 /nfs/dbraw/zinc/80/79/84/545807984.db2.gz RIFSAOZSAOHWSM-UHFFFAOYSA-N -1 3 307.357 2.593 20 0 DFADHM CCN1CCc2ccc(NC(=O)c3cccc4n[n-]nc43)cc21 ZINC000682158910 545807990 /nfs/dbraw/zinc/80/79/90/545807990.db2.gz RIFSAOZSAOHWSM-UHFFFAOYSA-N -1 3 307.357 2.593 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1Cc2ccccc2C(F)(F)C1 ZINC000682164798 545809591 /nfs/dbraw/zinc/80/95/91/545809591.db2.gz XNSAFYMWLLCIQD-UHFFFAOYSA-N -1 3 314.295 2.706 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1Cc2ccccc2C(F)(F)C1 ZINC000682164798 545809596 /nfs/dbraw/zinc/80/95/96/545809596.db2.gz XNSAFYMWLLCIQD-UHFFFAOYSA-N -1 3 314.295 2.706 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1Cc2ccccc2C(F)(F)C1 ZINC000682164798 545809600 /nfs/dbraw/zinc/80/96/00/545809600.db2.gz XNSAFYMWLLCIQD-UHFFFAOYSA-N -1 3 314.295 2.706 20 0 DFADHM CCc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)c([O-])c1 ZINC000682502301 545861943 /nfs/dbraw/zinc/86/19/43/545861943.db2.gz HBTNVVLXIBDGGY-SFHVURJKSA-N -1 3 311.381 2.998 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2ncccc2C1 ZINC000682514973 545865460 /nfs/dbraw/zinc/86/54/60/545865460.db2.gz KBSLYRGVJXMDIX-UHFFFAOYSA-N -1 3 314.360 2.834 20 0 DFADHM C[C@H](O)[C@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000682525978 545867748 /nfs/dbraw/zinc/86/77/48/545867748.db2.gz NWXKMGSKHIYSRN-SWLSCSKDSA-N -1 3 309.381 2.616 20 0 DFADHM C[C@@H](O)[C@@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000682525976 545867924 /nfs/dbraw/zinc/86/79/24/545867924.db2.gz NWXKMGSKHIYSRN-DOMZBBRYSA-N -1 3 309.381 2.616 20 0 DFADHM Cc1ccc(C(=O)NC[C@@H](c2ccnn2C)C(C)C)c([O-])c1C ZINC000682685061 545897313 /nfs/dbraw/zinc/89/73/13/545897313.db2.gz NFRKOIBIVKDBSJ-OAHLLOKOSA-N -1 3 315.417 2.912 20 0 DFADHM C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000682862474 545930285 /nfs/dbraw/zinc/93/02/85/545930285.db2.gz SCPVVUZSRCEOOC-PSASIEDQSA-N -1 3 314.179 2.908 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2)c[nH]1 ZINC000682935513 545944182 /nfs/dbraw/zinc/94/41/82/545944182.db2.gz AQRHONJSESJJBN-UHFFFAOYSA-N -1 3 319.430 2.889 20 0 DFADHM CCn1ccc(CN(C)C(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000682946183 545945901 /nfs/dbraw/zinc/94/59/01/545945901.db2.gz GHUYPQVMINZGCM-UHFFFAOYSA-N -1 3 318.373 2.503 20 0 DFADHM O=C([O-])c1cccc(CNCc2cc3ccccc3[nH]c2=O)c1 ZINC000683170657 545983655 /nfs/dbraw/zinc/98/36/55/545983655.db2.gz YWFBWJXLKMHXCT-UHFFFAOYSA-N -1 3 308.337 2.928 20 0 DFADHM O=C([N-]c1nncn1Cc1ccccc1)c1coc(C2CCC2)n1 ZINC000683444787 546034762 /nfs/dbraw/zinc/03/47/62/546034762.db2.gz RMGNJKUCIDFTCI-UHFFFAOYSA-N -1 3 323.356 2.834 20 0 DFADHM [O-]c1cncc(/C=C\c2nc(Cc3ccc4c(c3)CCO4)no2)c1 ZINC000683579870 546065406 /nfs/dbraw/zinc/06/54/06/546065406.db2.gz FDVXGEXYYGJQTE-RQOWECAXSA-N -1 3 321.336 2.866 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-]CC(C(C)C)C(C)C)c[nH]1 ZINC000683702481 546077644 /nfs/dbraw/zinc/07/76/44/546077644.db2.gz UHQWWPXJQUKPFV-UHFFFAOYSA-N -1 3 301.456 2.740 20 0 DFADHM CCc1cccc(-c2nc(-c3cnc(N(C)C)cn3)no2)c1[O-] ZINC000683924744 546120521 /nfs/dbraw/zinc/12/05/21/546120521.db2.gz NWQAXPWXPOLPKN-UHFFFAOYSA-N -1 3 311.345 2.528 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(O[C@@H]2CCOC2)cc1 ZINC000684055816 546143939 /nfs/dbraw/zinc/14/39/39/546143939.db2.gz IOSJODFXBPDIQU-CQSZACIVSA-N -1 3 317.316 2.951 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)n1 ZINC000684089609 546149275 /nfs/dbraw/zinc/14/92/75/546149275.db2.gz WYBUIECNMPNZON-ARFHVFGLSA-N -1 3 324.428 2.620 20 0 DFADHM Cc1ccc(CCC(=O)NCc2ncccc2[O-])cc1Cl ZINC000684349699 546197101 /nfs/dbraw/zinc/19/71/01/546197101.db2.gz HVBZGMQBZYCAOP-UHFFFAOYSA-N -1 3 304.777 2.998 20 0 DFADHM O=C(NCC[C@@H]1CCCO1)c1cc([O-])ccc1C(F)(F)F ZINC000684374971 546204462 /nfs/dbraw/zinc/20/44/62/546204462.db2.gz USRJNKNBYSGZCJ-JTQLQIEISA-N -1 3 303.280 2.710 20 0 DFADHM CC(C)n1ccc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)n1 ZINC000684618218 546253302 /nfs/dbraw/zinc/25/33/02/546253302.db2.gz MHBDQANVBIWNKJ-UHFFFAOYSA-N -1 3 315.308 2.905 20 0 DFADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000685739593 546386785 /nfs/dbraw/zinc/38/67/85/546386785.db2.gz VMGSCTGEBKHROX-SECBINFHSA-N -1 3 311.345 2.568 20 0 DFADHM CCCCSCCC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736463891 598830237 /nfs/dbraw/zinc/83/02/37/598830237.db2.gz RXAZOCNBNLGGHU-UHFFFAOYSA-N -1 3 319.434 2.753 20 0 DFADHM CCCCSCCC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736463891 598830239 /nfs/dbraw/zinc/83/02/39/598830239.db2.gz RXAZOCNBNLGGHU-UHFFFAOYSA-N -1 3 319.434 2.753 20 0 DFADHM CCCCSCCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736464369 598831728 /nfs/dbraw/zinc/83/17/28/598831728.db2.gz YELUOTBLZFVZAJ-UHFFFAOYSA-N -1 3 323.397 2.868 20 0 DFADHM CCCCSCCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736464369 598831729 /nfs/dbraw/zinc/83/17/29/598831729.db2.gz YELUOTBLZFVZAJ-UHFFFAOYSA-N -1 3 323.397 2.868 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737386572 598831917 /nfs/dbraw/zinc/83/19/17/598831917.db2.gz XPZJOBVJMNJZAV-CYBMUJFWSA-N -1 3 321.384 2.942 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737386572 598831919 /nfs/dbraw/zinc/83/19/19/598831919.db2.gz XPZJOBVJMNJZAV-CYBMUJFWSA-N -1 3 321.384 2.942 20 0 DFADHM CC[C@@H]1CCCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736401881 598837492 /nfs/dbraw/zinc/83/74/92/598837492.db2.gz ZJYWREYPCNOANW-OAHLLOKOSA-N -1 3 313.405 2.590 20 0 DFADHM CC[C@@H]1CCCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736401881 598837494 /nfs/dbraw/zinc/83/74/94/598837494.db2.gz ZJYWREYPCNOANW-OAHLLOKOSA-N -1 3 313.405 2.590 20 0 DFADHM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736384270 598845167 /nfs/dbraw/zinc/84/51/67/598845167.db2.gz WRTZCADQBLPVGJ-AWEZNQCLSA-N -1 3 309.329 2.570 20 0 DFADHM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736384270 598845169 /nfs/dbraw/zinc/84/51/69/598845169.db2.gz WRTZCADQBLPVGJ-AWEZNQCLSA-N -1 3 309.329 2.570 20 0 DFADHM Cc1ccc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737360087 598852526 /nfs/dbraw/zinc/85/25/26/598852526.db2.gz LUCLSLUORBDHKN-UHFFFAOYSA-N -1 3 312.308 2.958 20 0 DFADHM Cc1ccc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737360087 598852527 /nfs/dbraw/zinc/85/25/27/598852527.db2.gz LUCLSLUORBDHKN-UHFFFAOYSA-N -1 3 312.308 2.958 20 0 DFADHM C[C@H]1CC(Nc2nc3c(cc2-c2nnn[n-]2)CCC3)C[C@H](C)C1 ZINC000736226707 598856679 /nfs/dbraw/zinc/85/66/79/598856679.db2.gz XRDCEYAVFOGVQC-GHMZBOCLSA-N -1 3 312.421 2.987 20 0 DFADHM C[C@H]1CC(Nc2nc3c(cc2-c2nn[n-]n2)CCC3)C[C@H](C)C1 ZINC000736226707 598856680 /nfs/dbraw/zinc/85/66/80/598856680.db2.gz XRDCEYAVFOGVQC-GHMZBOCLSA-N -1 3 312.421 2.987 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736119281 598879987 /nfs/dbraw/zinc/87/99/87/598879987.db2.gz XGEZRHRGVCWABR-SECBINFHSA-N -1 3 318.356 2.706 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736119281 598879988 /nfs/dbraw/zinc/87/99/88/598879988.db2.gz XGEZRHRGVCWABR-SECBINFHSA-N -1 3 318.356 2.706 20 0 DFADHM Cc1ncsc1CN(C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000822482564 599547596 /nfs/dbraw/zinc/54/75/96/599547596.db2.gz WCMYAPOYNBJRGO-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1sccc1-c1nnn[n-]1 ZINC000736261598 598907175 /nfs/dbraw/zinc/90/71/75/598907175.db2.gz KVVAKCVQBIFTHU-MNOVXSKESA-N -1 3 319.434 2.874 20 0 DFADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1sccc1-c1nn[n-]n1 ZINC000736261598 598907176 /nfs/dbraw/zinc/90/71/76/598907176.db2.gz KVVAKCVQBIFTHU-MNOVXSKESA-N -1 3 319.434 2.874 20 0 DFADHM C[C@H]1CCCCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736268306 598907341 /nfs/dbraw/zinc/90/73/41/598907341.db2.gz SHZIUZBAQLIADZ-ZDUSSCGKSA-N -1 3 313.405 2.590 20 0 DFADHM C[C@H]1CCCCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736268306 598907343 /nfs/dbraw/zinc/90/73/43/598907343.db2.gz SHZIUZBAQLIADZ-ZDUSSCGKSA-N -1 3 313.405 2.590 20 0 DFADHM Fc1ccc2oc(NCc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000737667928 598913112 /nfs/dbraw/zinc/91/31/12/598913112.db2.gz RYVTWXDDIZCKFR-UHFFFAOYSA-N -1 3 310.292 2.759 20 0 DFADHM Fc1ccc2oc(NCc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000737667928 598913113 /nfs/dbraw/zinc/91/31/13/598913113.db2.gz RYVTWXDDIZCKFR-UHFFFAOYSA-N -1 3 310.292 2.759 20 0 DFADHM Cc1nnc(NCc2coc3ccccc23)c(-c2nnn[n-]2)c1C ZINC000737533632 598915921 /nfs/dbraw/zinc/91/59/21/598915921.db2.gz OVZCHEURELQEQA-UHFFFAOYSA-N -1 3 321.344 2.632 20 0 DFADHM Cc1nnc(NCc2coc3ccccc23)c(-c2nn[n-]n2)c1C ZINC000737533632 598915922 /nfs/dbraw/zinc/91/59/22/598915922.db2.gz OVZCHEURELQEQA-UHFFFAOYSA-N -1 3 321.344 2.632 20 0 DFADHM COc1ccccc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737155932 598934758 /nfs/dbraw/zinc/93/47/58/598934758.db2.gz OPMWAVRQNHSFEE-UHFFFAOYSA-N -1 3 303.709 2.716 20 0 DFADHM COc1ccccc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737155932 598934761 /nfs/dbraw/zinc/93/47/61/598934761.db2.gz OPMWAVRQNHSFEE-UHFFFAOYSA-N -1 3 303.709 2.716 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1ccc2n[nH]cc2c1 ZINC000737558624 598936008 /nfs/dbraw/zinc/93/60/08/598936008.db2.gz OZHKDMSPTRPSFF-UHFFFAOYSA-N -1 3 312.724 2.535 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1ccc2n[nH]cc2c1 ZINC000737558624 598936009 /nfs/dbraw/zinc/93/60/09/598936009.db2.gz OZHKDMSPTRPSFF-UHFFFAOYSA-N -1 3 312.724 2.535 20 0 DFADHM Cc1nc(Sc2ncc(-c3nnn[n-]3)cc2Cl)oc1C ZINC000737483932 598936316 /nfs/dbraw/zinc/93/63/16/598936316.db2.gz QMXLSIRTTJBXRJ-UHFFFAOYSA-N -1 3 308.754 2.671 20 0 DFADHM Cc1nc(Sc2ncc(-c3nn[n-]n3)cc2Cl)oc1C ZINC000737483932 598936318 /nfs/dbraw/zinc/93/63/18/598936318.db2.gz QMXLSIRTTJBXRJ-UHFFFAOYSA-N -1 3 308.754 2.671 20 0 DFADHM C[C@@H]1C[C@H](C)CN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736225765 598972195 /nfs/dbraw/zinc/97/21/95/598972195.db2.gz DEJVLPDYGUGIBM-JGVFFNPUSA-N -1 3 312.299 2.515 20 0 DFADHM C[C@@H]1C[C@H](C)CN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736225765 598972197 /nfs/dbraw/zinc/97/21/97/598972197.db2.gz DEJVLPDYGUGIBM-JGVFFNPUSA-N -1 3 312.299 2.515 20 0 DFADHM C[C@H](SCCc1cnn(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192502 599009106 /nfs/dbraw/zinc/00/91/06/599009106.db2.gz ZRBNQSUVQJHLGX-NSHDSACASA-N -1 3 314.418 2.637 20 0 DFADHM C[C@H](SCCc1cnn(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192502 599009108 /nfs/dbraw/zinc/00/91/08/599009108.db2.gz ZRBNQSUVQJHLGX-NSHDSACASA-N -1 3 314.418 2.637 20 0 DFADHM C[C@H]1CCC[C@@H](CCNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736250754 599016670 /nfs/dbraw/zinc/01/66/70/599016670.db2.gz MBTACZNZCMYHQD-STQMWFEESA-N -1 3 313.405 2.813 20 0 DFADHM C[C@H]1CCC[C@@H](CCNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736250754 599016672 /nfs/dbraw/zinc/01/66/72/599016672.db2.gz MBTACZNZCMYHQD-STQMWFEESA-N -1 3 313.405 2.813 20 0 DFADHM CCCN(CCC)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736473455 599040901 /nfs/dbraw/zinc/04/09/01/599040901.db2.gz PIADNFNLHLVCLG-UHFFFAOYSA-N -1 3 314.315 2.907 20 0 DFADHM CCCN(CCC)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736473455 599040904 /nfs/dbraw/zinc/04/09/04/599040904.db2.gz PIADNFNLHLVCLG-UHFFFAOYSA-N -1 3 314.315 2.907 20 0 DFADHM CC1(C)[C@H](Nc2cccc(F)c2-c2nnn[n-]2)[C@H]2CCCO[C@H]21 ZINC000820584347 599043442 /nfs/dbraw/zinc/04/34/42/599043442.db2.gz HZASGZQOFWLAQI-OWYVNGRQSA-N -1 3 317.368 2.621 20 0 DFADHM CC1(C)[C@H](Nc2cccc(F)c2-c2nn[n-]n2)[C@H]2CCCO[C@H]21 ZINC000820584347 599043445 /nfs/dbraw/zinc/04/34/45/599043445.db2.gz HZASGZQOFWLAQI-OWYVNGRQSA-N -1 3 317.368 2.621 20 0 DFADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CC1 ZINC000736024885 599048959 /nfs/dbraw/zinc/04/89/59/599048959.db2.gz AZHFXSZDCUXHJU-SSDOTTSWSA-N -1 3 312.299 2.739 20 0 DFADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CC1 ZINC000736024885 599048960 /nfs/dbraw/zinc/04/89/60/599048960.db2.gz AZHFXSZDCUXHJU-SSDOTTSWSA-N -1 3 312.299 2.739 20 0 DFADHM CC[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736400907 599051187 /nfs/dbraw/zinc/05/11/87/599051187.db2.gz DFSSWJHKZGQFCC-QMMMGPOBSA-N -1 3 312.299 2.659 20 0 DFADHM CC[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736400907 599051189 /nfs/dbraw/zinc/05/11/89/599051189.db2.gz DFSSWJHKZGQFCC-QMMMGPOBSA-N -1 3 312.299 2.659 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822516376 599055334 /nfs/dbraw/zinc/05/53/34/599055334.db2.gz XNSSKVDWSSNOIS-FRRDWIJNSA-N -1 3 313.409 2.654 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822516376 599055335 /nfs/dbraw/zinc/05/53/35/599055335.db2.gz XNSSKVDWSSNOIS-FRRDWIJNSA-N -1 3 313.409 2.654 20 0 DFADHM CC(C)C1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000820044931 599057082 /nfs/dbraw/zinc/05/70/82/599057082.db2.gz JDXKJSYWLCFWOS-UHFFFAOYSA-N -1 3 312.421 2.623 20 0 DFADHM CC(C)C1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000820044931 599057084 /nfs/dbraw/zinc/05/70/84/599057084.db2.gz JDXKJSYWLCFWOS-UHFFFAOYSA-N -1 3 312.421 2.623 20 0 DFADHM Cc1nc(Cl)cc(Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822449720 599058122 /nfs/dbraw/zinc/05/81/22/599058122.db2.gz LUUISDNQCMFDGR-UHFFFAOYSA-N -1 3 322.756 2.909 20 0 DFADHM Cc1nc(Cl)cc(Sc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822449720 599058125 /nfs/dbraw/zinc/05/81/25/599058125.db2.gz LUUISDNQCMFDGR-UHFFFAOYSA-N -1 3 322.756 2.909 20 0 DFADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820668974 599059975 /nfs/dbraw/zinc/05/99/75/599059975.db2.gz XVLDQIYVAAPOOH-NHYWBVRUSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820668974 599059976 /nfs/dbraw/zinc/05/99/76/599059976.db2.gz XVLDQIYVAAPOOH-NHYWBVRUSA-N -1 3 324.363 2.988 20 0 DFADHM CC[C@H](C)C[C@H](C)Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000820870567 599067472 /nfs/dbraw/zinc/06/74/72/599067472.db2.gz VHWFKILTBKKTOB-QWRGUYRKSA-N -1 3 300.410 2.987 20 0 DFADHM CC[C@H](C)C[C@H](C)Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000820870567 599067474 /nfs/dbraw/zinc/06/74/74/599067474.db2.gz VHWFKILTBKKTOB-QWRGUYRKSA-N -1 3 300.410 2.987 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736246059 599072608 /nfs/dbraw/zinc/07/26/08/599072608.db2.gz YJXQKDBURIJCNP-CMPLNLGQSA-N -1 3 317.368 2.795 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736246059 599072612 /nfs/dbraw/zinc/07/26/12/599072612.db2.gz YJXQKDBURIJCNP-CMPLNLGQSA-N -1 3 317.368 2.795 20 0 DFADHM FC(F)(F)c1cc(N[C@@H]2CCSC2)ccc1-c1nnn[n-]1 ZINC000822723845 599078587 /nfs/dbraw/zinc/07/85/87/599078587.db2.gz QRHAGJLGDRCCAD-MRVPVSSYSA-N -1 3 315.324 2.803 20 0 DFADHM FC(F)(F)c1cc(N[C@@H]2CCSC2)ccc1-c1nn[n-]n1 ZINC000822723845 599078589 /nfs/dbraw/zinc/07/85/89/599078589.db2.gz QRHAGJLGDRCCAD-MRVPVSSYSA-N -1 3 315.324 2.803 20 0 DFADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820280388 599079857 /nfs/dbraw/zinc/07/98/57/599079857.db2.gz FCGHSBTYEVGHQZ-LLVKDONJSA-N -1 3 312.402 2.854 20 0 DFADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820280388 599079860 /nfs/dbraw/zinc/07/98/60/599079860.db2.gz FCGHSBTYEVGHQZ-LLVKDONJSA-N -1 3 312.402 2.854 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(C)(C)C1 ZINC000822332287 599093848 /nfs/dbraw/zinc/09/38/48/599093848.db2.gz MQSPDJVESYYSBS-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(C)(C)C1 ZINC000822332287 599093851 /nfs/dbraw/zinc/09/38/51/599093851.db2.gz MQSPDJVESYYSBS-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000736018490 599101289 /nfs/dbraw/zinc/10/12/89/599101289.db2.gz WUQVGSDGCWBKBE-SNVBAGLBSA-N -1 3 302.382 2.670 20 0 DFADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000736018490 599101290 /nfs/dbraw/zinc/10/12/90/599101290.db2.gz WUQVGSDGCWBKBE-SNVBAGLBSA-N -1 3 302.382 2.670 20 0 DFADHM C[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736019271 599101434 /nfs/dbraw/zinc/10/14/34/599101434.db2.gz ZWIXNYSUFBRABB-JTQLQIEISA-N -1 3 302.382 2.670 20 0 DFADHM C[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736019271 599101436 /nfs/dbraw/zinc/10/14/36/599101436.db2.gz ZWIXNYSUFBRABB-JTQLQIEISA-N -1 3 302.382 2.670 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ccc(Cl)cn1 ZINC000822761227 599105305 /nfs/dbraw/zinc/10/53/05/599105305.db2.gz CZELOQSNRYBXRW-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccc(Cl)cn1 ZINC000822761227 599105308 /nfs/dbraw/zinc/10/53/08/599105308.db2.gz CZELOQSNRYBXRW-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Cc1nnc(N[C@@H]2C[C@@H]2C2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737522438 599120847 /nfs/dbraw/zinc/12/08/47/599120847.db2.gz SQGVYMPSMGMAJB-CHWSQXEVSA-N -1 3 313.409 2.654 20 0 DFADHM Cc1nnc(N[C@@H]2C[C@@H]2C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737522438 599120850 /nfs/dbraw/zinc/12/08/50/599120850.db2.gz SQGVYMPSMGMAJB-CHWSQXEVSA-N -1 3 313.409 2.654 20 0 DFADHM OCCCCCCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823718683 599124919 /nfs/dbraw/zinc/12/49/19/599124919.db2.gz YKQIJJGHJXBPAJ-UHFFFAOYSA-N -1 3 310.785 2.842 20 0 DFADHM OCCCCCCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823718683 599124921 /nfs/dbraw/zinc/12/49/21/599124921.db2.gz YKQIJJGHJXBPAJ-UHFFFAOYSA-N -1 3 310.785 2.842 20 0 DFADHM O=C(CC1CCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822940835 599138343 /nfs/dbraw/zinc/13/83/43/599138343.db2.gz GLMATSLFAGGFPU-UHFFFAOYSA-N -1 3 311.389 2.548 20 0 DFADHM O=C(CC1CCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822940835 599138344 /nfs/dbraw/zinc/13/83/44/599138344.db2.gz GLMATSLFAGGFPU-UHFFFAOYSA-N -1 3 311.389 2.548 20 0 DFADHM CC(=CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819764833 599149766 /nfs/dbraw/zinc/14/97/66/599149766.db2.gz LJCLCVQONZYWIC-VQHVLOKHSA-N -1 3 303.341 2.937 20 0 DFADHM C/C(=C\C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819764833 599149769 /nfs/dbraw/zinc/14/97/69/599149769.db2.gz LJCLCVQONZYWIC-VQHVLOKHSA-N -1 3 303.341 2.937 20 0 DFADHM COc1ccc(-c2nc3cc(C)ccc3n2C)cc1-c1nnn[n-]1 ZINC000821732607 599155790 /nfs/dbraw/zinc/15/57/90/599155790.db2.gz QWWBSYJWXMSSCQ-UHFFFAOYSA-N -1 3 320.356 2.737 20 0 DFADHM COc1ccc(-c2nc3cc(C)ccc3n2C)cc1-c1nn[n-]n1 ZINC000821732607 599155792 /nfs/dbraw/zinc/15/57/92/599155792.db2.gz QWWBSYJWXMSSCQ-UHFFFAOYSA-N -1 3 320.356 2.737 20 0 DFADHM C/C(=C\C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)(C)C ZINC000819764522 599180949 /nfs/dbraw/zinc/18/09/49/599180949.db2.gz HYNGRUKRGRKBBG-JXMROGBWSA-N -1 3 317.368 2.614 20 0 DFADHM C/C(=C\C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)(C)C ZINC000819764522 599180951 /nfs/dbraw/zinc/18/09/51/599180951.db2.gz HYNGRUKRGRKBBG-JXMROGBWSA-N -1 3 317.368 2.614 20 0 DFADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821034637 599195226 /nfs/dbraw/zinc/19/52/26/599195226.db2.gz QDNIZPNQADBALC-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821034637 599195229 /nfs/dbraw/zinc/19/52/29/599195229.db2.gz QDNIZPNQADBALC-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H]1c1cccc(F)c1 ZINC000823478272 599205354 /nfs/dbraw/zinc/20/53/54/599205354.db2.gz IHVTZTOUVQQHJM-OAHLLOKOSA-N -1 3 323.331 2.593 20 0 DFADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H]1c1cccc(F)c1 ZINC000823478272 599205356 /nfs/dbraw/zinc/20/53/56/599205356.db2.gz IHVTZTOUVQQHJM-OAHLLOKOSA-N -1 3 323.331 2.593 20 0 DFADHM CC(C)c1cnc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735931772 599228327 /nfs/dbraw/zinc/22/83/27/599228327.db2.gz DRVYGAUDTHLMBW-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM CC(C)c1cnc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735931772 599228330 /nfs/dbraw/zinc/22/83/30/599228330.db2.gz DRVYGAUDTHLMBW-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM Cc1c(NC(=O)CCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822068812 607268310 /nfs/dbraw/zinc/26/83/10/607268310.db2.gz VJDCEYNQKGSOMG-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM Cc1c(NC(=O)CCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822068812 607268311 /nfs/dbraw/zinc/26/83/11/607268311.db2.gz VJDCEYNQKGSOMG-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM CCc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821481406 607268611 /nfs/dbraw/zinc/26/86/11/607268611.db2.gz JOXAKZWDJREOCB-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM CCc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821481406 607268612 /nfs/dbraw/zinc/26/86/12/607268612.db2.gz JOXAKZWDJREOCB-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM Cc1nnc(CSCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000826336168 608300309 /nfs/dbraw/zinc/30/03/09/608300309.db2.gz QAFPWTXZQSWVEN-UHFFFAOYSA-N -1 3 322.394 2.599 20 0 DFADHM Cc1ccc(C)c(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822231999 607269305 /nfs/dbraw/zinc/26/93/05/607269305.db2.gz PVXQMVQOUZMLSN-UHFFFAOYSA-N -1 3 321.384 2.973 20 0 DFADHM Cc1ccc(C)c(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822231999 607269306 /nfs/dbraw/zinc/26/93/06/607269306.db2.gz PVXQMVQOUZMLSN-UHFFFAOYSA-N -1 3 321.384 2.973 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820870485 599245755 /nfs/dbraw/zinc/24/57/55/599245755.db2.gz TTYUKOTWGXHHSH-GHMZBOCLSA-N -1 3 302.382 2.813 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820870485 599245756 /nfs/dbraw/zinc/24/57/56/599245756.db2.gz TTYUKOTWGXHHSH-GHMZBOCLSA-N -1 3 302.382 2.813 20 0 DFADHM CCOC(=O)CCCCCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000736592735 599246462 /nfs/dbraw/zinc/24/64/62/599246462.db2.gz VKQLVFSSQXURFP-UHFFFAOYSA-N -1 3 322.340 2.508 20 0 DFADHM CCOC(=O)CCCCCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000736592735 599246463 /nfs/dbraw/zinc/24/64/63/599246463.db2.gz VKQLVFSSQXURFP-UHFFFAOYSA-N -1 3 322.340 2.508 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@H](C)CC2)cccc1-c1nnn[n-]1 ZINC000822083974 607283045 /nfs/dbraw/zinc/28/30/45/607283045.db2.gz GGLCVEOWIGGWBM-NSHDSACASA-N -1 3 314.393 2.829 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@H](C)CC2)cccc1-c1nn[n-]n1 ZINC000822083974 607283046 /nfs/dbraw/zinc/28/30/46/607283046.db2.gz GGLCVEOWIGGWBM-NSHDSACASA-N -1 3 314.393 2.829 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820978866 607280446 /nfs/dbraw/zinc/28/04/46/607280446.db2.gz DPKYUKUAIFKOLQ-RISCZKNCSA-N -1 3 314.393 2.875 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820978866 607280447 /nfs/dbraw/zinc/28/04/47/607280447.db2.gz DPKYUKUAIFKOLQ-RISCZKNCSA-N -1 3 314.393 2.875 20 0 DFADHM CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)C(C)C ZINC000820920076 607288835 /nfs/dbraw/zinc/28/88/35/607288835.db2.gz KCNSKWAYWBBDRF-GFCCVEGCSA-N -1 3 302.382 2.731 20 0 DFADHM CC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)C(C)C ZINC000820920076 607288836 /nfs/dbraw/zinc/28/88/36/607288836.db2.gz KCNSKWAYWBBDRF-GFCCVEGCSA-N -1 3 302.382 2.731 20 0 DFADHM Cc1c(NC(=O)N[C@@H]2CCCC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822092319 607289411 /nfs/dbraw/zinc/28/94/11/607289411.db2.gz WADGFWJGHPFQMB-GXFFZTMASA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@@H]2CCCC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822092319 607289412 /nfs/dbraw/zinc/28/94/12/607289412.db2.gz WADGFWJGHPFQMB-GXFFZTMASA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)c2cc3ccccc3[nH]2)cccc1-c1nnn[n-]1 ZINC000822108219 607295306 /nfs/dbraw/zinc/29/53/06/607295306.db2.gz FVBAIBPVQQZKMA-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM Cc1c(NC(=O)c2cc3ccccc3[nH]2)cccc1-c1nn[n-]n1 ZINC000822108219 607295307 /nfs/dbraw/zinc/29/53/07/607295307.db2.gz FVBAIBPVQQZKMA-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)c2ccsc2)cccc1-c1nnn[n-]1 ZINC000822060129 607296396 /nfs/dbraw/zinc/29/63/96/607296396.db2.gz FSSOMKZWZPDCOT-VIFPVBQESA-N -1 3 313.386 2.979 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)c2ccsc2)cccc1-c1nn[n-]n1 ZINC000822060129 607296397 /nfs/dbraw/zinc/29/63/97/607296397.db2.gz FSSOMKZWZPDCOT-VIFPVBQESA-N -1 3 313.386 2.979 20 0 DFADHM Cc1c(NC(=O)[C@H]2CCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822067327 607297599 /nfs/dbraw/zinc/29/75/99/607297599.db2.gz JEGRWKOFANDBLN-HNNXBMFYSA-N -1 3 319.368 2.844 20 0 DFADHM Cc1c(NC(=O)[C@H]2CCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822067327 607297600 /nfs/dbraw/zinc/29/76/00/607297600.db2.gz JEGRWKOFANDBLN-HNNXBMFYSA-N -1 3 319.368 2.844 20 0 DFADHM Cc1ccc(CN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)o1 ZINC000822237130 607303127 /nfs/dbraw/zinc/30/31/27/607303127.db2.gz GRPZHMUUILUXEE-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1ccc(CN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)o1 ZINC000822237130 607303128 /nfs/dbraw/zinc/30/31/28/607303128.db2.gz GRPZHMUUILUXEE-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1cc(F)cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000822203367 607308460 /nfs/dbraw/zinc/30/84/60/607308460.db2.gz QEMWSWGWZGFVEG-SREVYHEPSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1cc(F)cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000822203367 607308461 /nfs/dbraw/zinc/30/84/61/607308461.db2.gz QEMWSWGWZGFVEG-SREVYHEPSA-N -1 3 323.331 2.966 20 0 DFADHM COc1ccc(OC)c(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821842917 607310997 /nfs/dbraw/zinc/31/09/97/607310997.db2.gz WKNLXBAIAHFPBY-UHFFFAOYSA-N -1 3 317.374 2.558 20 0 DFADHM COc1ccc(OC)c(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821842917 607310998 /nfs/dbraw/zinc/31/09/98/607310998.db2.gz WKNLXBAIAHFPBY-UHFFFAOYSA-N -1 3 317.374 2.558 20 0 DFADHM Fc1ccc(N(Cc2cccnc2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000822778541 607304121 /nfs/dbraw/zinc/30/41/21/607304121.db2.gz KPVGHZNENFHGQL-UHFFFAOYSA-N -1 3 310.336 2.570 20 0 DFADHM Fc1ccc(N(Cc2cccnc2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000822778541 607304122 /nfs/dbraw/zinc/30/41/22/607304122.db2.gz KPVGHZNENFHGQL-UHFFFAOYSA-N -1 3 310.336 2.570 20 0 DFADHM C[C@@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000736251799 599269367 /nfs/dbraw/zinc/26/93/67/599269367.db2.gz IUYVLHNPQUITIH-VXGBXAGGSA-N -1 3 308.389 2.827 20 0 DFADHM C[C@@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000736251799 599269368 /nfs/dbraw/zinc/26/93/68/599269368.db2.gz IUYVLHNPQUITIH-VXGBXAGGSA-N -1 3 308.389 2.827 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CCCC1 ZINC000736487406 599276552 /nfs/dbraw/zinc/27/65/52/599276552.db2.gz GFMCMSZERLLYPX-UHFFFAOYSA-N -1 3 314.393 2.817 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CSc2ccccc21 ZINC000738250155 599290948 /nfs/dbraw/zinc/29/09/48/599290948.db2.gz DBXZKCQDQKIQHM-CYBMUJFWSA-N -1 3 324.365 2.662 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CSc2ccccc21 ZINC000738250155 599290951 /nfs/dbraw/zinc/29/09/51/599290951.db2.gz DBXZKCQDQKIQHM-CYBMUJFWSA-N -1 3 324.365 2.662 20 0 DFADHM CC[C@@H](Cc1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC000820913442 607327098 /nfs/dbraw/zinc/32/70/98/607327098.db2.gz FUOSWZAPGPYJNH-AWEZNQCLSA-N -1 3 308.389 2.719 20 0 DFADHM CC[C@@H](Cc1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC000820913442 607327099 /nfs/dbraw/zinc/32/70/99/607327099.db2.gz FUOSWZAPGPYJNH-AWEZNQCLSA-N -1 3 308.389 2.719 20 0 DFADHM O=C([O-])C[C@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000821516823 598152106 /nfs/dbraw/zinc/15/21/06/598152106.db2.gz ZDSVHLIZWKZLNE-CYBMUJFWSA-N -1 3 317.364 2.698 20 0 DFADHM COC(=O)c1oc([C@@H](C)N2CCC[C@H](CC(=O)[O-])C2)cc1C ZINC000820693807 598172314 /nfs/dbraw/zinc/17/23/14/598172314.db2.gz GZRXCLCXVWJYTG-VXGBXAGGSA-N -1 3 309.362 2.622 20 0 DFADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C ZINC000263396456 598192687 /nfs/dbraw/zinc/19/26/87/598192687.db2.gz GVMWGCPNULPSOV-GFCCVEGCSA-N -1 3 324.380 2.755 20 0 DFADHM O=C([O-])c1cccc(CNCc2ccc(Cn3cccn3)cc2)c1 ZINC000821552330 598202628 /nfs/dbraw/zinc/20/26/28/598202628.db2.gz IXPPZDUTNPDXDQ-UHFFFAOYSA-N -1 3 321.380 2.919 20 0 DFADHM CC(C)Oc1ccc(CNCc2cccc(C(=O)[O-])c2)cn1 ZINC000263447860 598202707 /nfs/dbraw/zinc/20/27/07/598202707.db2.gz GIMVVQZSGUPFSV-UHFFFAOYSA-N -1 3 300.358 2.857 20 0 DFADHM CN(Cc1nc2ccccc2[nH]1)c1cccc(F)c1-c1nnn[n-]1 ZINC000736832030 598236862 /nfs/dbraw/zinc/23/68/62/598236862.db2.gz XXKYZRMKCIVYOU-UHFFFAOYSA-N -1 3 323.335 2.519 20 0 DFADHM CN(Cc1nc2ccccc2[nH]1)c1cccc(F)c1-c1nn[n-]n1 ZINC000736832030 598236864 /nfs/dbraw/zinc/23/68/64/598236864.db2.gz XXKYZRMKCIVYOU-UHFFFAOYSA-N -1 3 323.335 2.519 20 0 DFADHM COc1ccc(C)cc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000737076734 598237248 /nfs/dbraw/zinc/23/72/48/598237248.db2.gz LPXUPIAPUIEDCD-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)n1cccc1 ZINC000737290055 598259170 /nfs/dbraw/zinc/25/91/70/598259170.db2.gz BBMVQVIDMYWWFX-GFCCVEGCSA-N -1 3 310.361 2.566 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)n1cccc1 ZINC000737290055 598259172 /nfs/dbraw/zinc/25/91/72/598259172.db2.gz BBMVQVIDMYWWFX-GFCCVEGCSA-N -1 3 310.361 2.566 20 0 DFADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736264042 598263729 /nfs/dbraw/zinc/26/37/29/598263729.db2.gz SZIWDNBQEDOVIT-PRHODGIISA-N -1 3 320.784 2.830 20 0 DFADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736264042 598263731 /nfs/dbraw/zinc/26/37/31/598263731.db2.gz SZIWDNBQEDOVIT-PRHODGIISA-N -1 3 320.784 2.830 20 0 DFADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736264040 598263928 /nfs/dbraw/zinc/26/39/28/598263928.db2.gz SZIWDNBQEDOVIT-PELKAZGASA-N -1 3 320.784 2.830 20 0 DFADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736264040 598263929 /nfs/dbraw/zinc/26/39/29/598263929.db2.gz SZIWDNBQEDOVIT-PELKAZGASA-N -1 3 320.784 2.830 20 0 DFADHM CC(C)[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735708667 598276567 /nfs/dbraw/zinc/27/65/67/598276567.db2.gz NGJPBMYUNZEJJY-SNVBAGLBSA-N -1 3 319.413 2.589 20 0 DFADHM CC(C)[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735708667 598276569 /nfs/dbraw/zinc/27/65/69/598276569.db2.gz NGJPBMYUNZEJJY-SNVBAGLBSA-N -1 3 319.413 2.589 20 0 DFADHM CC[C@@H](CC(=O)OCc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736334386 598289004 /nfs/dbraw/zinc/28/90/04/598289004.db2.gz HCDHCURUPYARFM-LBPRGKRZSA-N -1 3 302.378 2.982 20 0 DFADHM CC[C@@H](CC(=O)OCc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736334386 598289005 /nfs/dbraw/zinc/28/90/05/598289005.db2.gz HCDHCURUPYARFM-LBPRGKRZSA-N -1 3 302.378 2.982 20 0 DFADHM CC[C@@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736336066 598289135 /nfs/dbraw/zinc/28/91/35/598289135.db2.gz YYSREKSBNIBXEJ-ZDUSSCGKSA-N -1 3 302.378 2.982 20 0 DFADHM CC[C@@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736336066 598289136 /nfs/dbraw/zinc/28/91/36/598289136.db2.gz YYSREKSBNIBXEJ-ZDUSSCGKSA-N -1 3 302.378 2.982 20 0 DFADHM COc1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)ccc1C ZINC000737039758 598359197 /nfs/dbraw/zinc/35/91/97/598359197.db2.gz BVFCURQLRRNYJX-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)ccc1C ZINC000737039758 598359199 /nfs/dbraw/zinc/35/91/99/598359199.db2.gz BVFCURQLRRNYJX-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM CN(CC(C)(C)C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736789017 598378250 /nfs/dbraw/zinc/37/82/50/598378250.db2.gz RSTDQULWNVVATI-UHFFFAOYSA-N -1 3 304.423 2.541 20 0 DFADHM CN(CC(C)(C)C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736789017 598378252 /nfs/dbraw/zinc/37/82/52/598378252.db2.gz RSTDQULWNVVATI-UHFFFAOYSA-N -1 3 304.423 2.541 20 0 DFADHM Cc1ccccc1CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737425823 598387191 /nfs/dbraw/zinc/38/71/91/598387191.db2.gz DLINIMFDJYWSEJ-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1ccccc1CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737425823 598387193 /nfs/dbraw/zinc/38/71/93/598387193.db2.gz DLINIMFDJYWSEJ-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Fc1cccc(N[C@@H]2CCN(c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000737660452 598388570 /nfs/dbraw/zinc/38/85/70/598388570.db2.gz JXNIIODIIPDBEC-GFCCVEGCSA-N -1 3 324.363 2.697 20 0 DFADHM Fc1cccc(N[C@@H]2CCN(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000737660452 598388571 /nfs/dbraw/zinc/38/85/71/598388571.db2.gz JXNIIODIIPDBEC-GFCCVEGCSA-N -1 3 324.363 2.697 20 0 DFADHM Fc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000737648420 598392519 /nfs/dbraw/zinc/39/25/19/598392519.db2.gz KIXOYINXLOANBK-UHFFFAOYSA-N -1 3 322.706 2.805 20 0 DFADHM Fc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000737648420 598392521 /nfs/dbraw/zinc/39/25/21/598392521.db2.gz KIXOYINXLOANBK-UHFFFAOYSA-N -1 3 322.706 2.805 20 0 DFADHM Cn1ccc2c1cccc2NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737612103 598396392 /nfs/dbraw/zinc/39/63/92/598396392.db2.gz IMNBLJACCWDFGA-UHFFFAOYSA-N -1 3 304.357 2.971 20 0 DFADHM Cn1ccc2c1cccc2NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737612103 598396394 /nfs/dbraw/zinc/39/63/94/598396394.db2.gz IMNBLJACCWDFGA-UHFFFAOYSA-N -1 3 304.357 2.971 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1=CCCCC1 ZINC000737059935 598397372 /nfs/dbraw/zinc/39/73/72/598397372.db2.gz YOTYCGWCINPDSQ-UHFFFAOYSA-N -1 3 313.361 2.704 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1=CCCCC1 ZINC000737059935 598397374 /nfs/dbraw/zinc/39/73/74/598397374.db2.gz YOTYCGWCINPDSQ-UHFFFAOYSA-N -1 3 313.361 2.704 20 0 DFADHM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737371529 598398936 /nfs/dbraw/zinc/39/89/36/598398936.db2.gz GFSBEBMSFLDTAI-MRXNPFEDSA-N -1 3 319.368 2.592 20 0 DFADHM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737371529 598398937 /nfs/dbraw/zinc/39/89/37/598398937.db2.gz GFSBEBMSFLDTAI-MRXNPFEDSA-N -1 3 319.368 2.592 20 0 DFADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2NC1CCC1 ZINC000737661501 598427613 /nfs/dbraw/zinc/42/76/13/598427613.db2.gz XPBOUARQJZQPGL-UHFFFAOYSA-N -1 3 318.743 2.594 20 0 DFADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2NC1CCC1 ZINC000737661501 598427615 /nfs/dbraw/zinc/42/76/15/598427615.db2.gz XPBOUARQJZQPGL-UHFFFAOYSA-N -1 3 318.743 2.594 20 0 DFADHM CC(C)c1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735933441 598436370 /nfs/dbraw/zinc/43/63/70/598436370.db2.gz WOQQNYNIMKHWDI-UHFFFAOYSA-N -1 3 309.329 2.604 20 0 DFADHM CC(C)c1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735933441 598436372 /nfs/dbraw/zinc/43/63/72/598436372.db2.gz WOQQNYNIMKHWDI-UHFFFAOYSA-N -1 3 309.329 2.604 20 0 DFADHM CCS[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000736668161 598444282 /nfs/dbraw/zinc/44/42/82/598444282.db2.gz YFEBVPIQTVXIGX-CYBMUJFWSA-N -1 3 319.434 2.891 20 0 DFADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(C)c1C ZINC000736506055 598442946 /nfs/dbraw/zinc/44/29/46/598442946.db2.gz PLEOCOZJXHOPKY-UHFFFAOYSA-N -1 3 322.372 2.545 20 0 DFADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(C)c1C ZINC000736506055 598442948 /nfs/dbraw/zinc/44/29/48/598442948.db2.gz PLEOCOZJXHOPKY-UHFFFAOYSA-N -1 3 322.372 2.545 20 0 DFADHM CCS[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000736668161 598444281 /nfs/dbraw/zinc/44/42/81/598444281.db2.gz YFEBVPIQTVXIGX-CYBMUJFWSA-N -1 3 319.434 2.891 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCc1nc2ccccc2o1 ZINC000737033526 598470379 /nfs/dbraw/zinc/47/03/79/598470379.db2.gz YVZAVWKJGDJMGB-UHFFFAOYSA-N -1 3 323.312 2.596 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCc1nc2ccccc2o1 ZINC000737033526 598470380 /nfs/dbraw/zinc/47/03/80/598470380.db2.gz YVZAVWKJGDJMGB-UHFFFAOYSA-N -1 3 323.312 2.596 20 0 DFADHM Cc1noc(C)c1CN(C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737537345 598508228 /nfs/dbraw/zinc/50/82/28/598508228.db2.gz NXXARTNIRXIHPX-UHFFFAOYSA-N -1 3 318.768 2.761 20 0 DFADHM Cc1noc(C)c1CN(C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737537345 598508230 /nfs/dbraw/zinc/50/82/30/598508230.db2.gz NXXARTNIRXIHPX-UHFFFAOYSA-N -1 3 318.768 2.761 20 0 DFADHM CCc1c(C)sc(NC(=O)CC(F)(F)F)c1-c1nnn[n-]1 ZINC000736671273 598517138 /nfs/dbraw/zinc/51/71/38/598517138.db2.gz VSHBHLPNKOXLHN-UHFFFAOYSA-N -1 3 319.312 2.690 20 0 DFADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736443154 598520519 /nfs/dbraw/zinc/52/05/19/598520519.db2.gz ZYXJKLGLECQVLY-WFASDCNBSA-N -1 3 313.405 2.955 20 0 DFADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736443154 598520521 /nfs/dbraw/zinc/52/05/21/598520521.db2.gz ZYXJKLGLECQVLY-WFASDCNBSA-N -1 3 313.405 2.955 20 0 DFADHM Cc1cc(N[C@H]2C[C@@H]2C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737274987 598523352 /nfs/dbraw/zinc/52/33/52/598523352.db2.gz RZPFXVXXJBXWFA-CABZTGNLSA-N -1 3 319.372 2.796 20 0 DFADHM Cc1cc(N[C@H]2C[C@@H]2C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737274987 598523353 /nfs/dbraw/zinc/52/33/53/598523353.db2.gz RZPFXVXXJBXWFA-CABZTGNLSA-N -1 3 319.372 2.796 20 0 DFADHM CC(C)C[C@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000735760887 598531027 /nfs/dbraw/zinc/53/10/27/598531027.db2.gz JQMYBDBXFKCKIE-LBPRGKRZSA-N -1 3 302.378 2.982 20 0 DFADHM CC(C)C[C@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000735760887 598531029 /nfs/dbraw/zinc/53/10/29/598531029.db2.gz JQMYBDBXFKCKIE-LBPRGKRZSA-N -1 3 302.378 2.982 20 0 DFADHM Fc1ccc(NC(=S)NC2CCCCC2)cc1-c1nnn[n-]1 ZINC000737658094 598580839 /nfs/dbraw/zinc/58/08/39/598580839.db2.gz CTDYILGKCLDCCI-UHFFFAOYSA-N -1 3 320.397 2.625 20 0 DFADHM Fc1ccc(NC(=S)NC2CCCCC2)cc1-c1nn[n-]n1 ZINC000737658094 598580841 /nfs/dbraw/zinc/58/08/41/598580841.db2.gz CTDYILGKCLDCCI-UHFFFAOYSA-N -1 3 320.397 2.625 20 0 DFADHM CCc1ncc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736706711 598581780 /nfs/dbraw/zinc/58/17/80/598581780.db2.gz VKEJLJRVYWNCLQ-UHFFFAOYSA-N -1 3 314.418 2.518 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000738165937 598592650 /nfs/dbraw/zinc/59/26/50/598592650.db2.gz HQTNASGIHFTBOF-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000738165937 598592652 /nfs/dbraw/zinc/59/26/52/598592652.db2.gz HQTNASGIHFTBOF-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1O ZINC000826269735 607362563 /nfs/dbraw/zinc/36/25/63/607362563.db2.gz VNWBHBPNQGIMMG-RMKNXTFCSA-N -1 3 321.340 2.533 20 0 DFADHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1O ZINC000826269735 607362564 /nfs/dbraw/zinc/36/25/64/607362564.db2.gz VNWBHBPNQGIMMG-RMKNXTFCSA-N -1 3 321.340 2.533 20 0 DFADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736436418 598608427 /nfs/dbraw/zinc/60/84/27/598608427.db2.gz QOGBMKSONCQADT-DOMZBBRYSA-N -1 3 313.405 2.955 20 0 DFADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736436418 598608429 /nfs/dbraw/zinc/60/84/29/598608429.db2.gz QOGBMKSONCQADT-DOMZBBRYSA-N -1 3 313.405 2.955 20 0 DFADHM Cc1nnc(NC2CC(c3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000737522532 598613632 /nfs/dbraw/zinc/61/36/32/598613632.db2.gz VLXUKNSQZYJLEH-UHFFFAOYSA-N -1 3 321.388 2.632 20 0 DFADHM Cc1nnc(NC2CC(c3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000737522532 598613633 /nfs/dbraw/zinc/61/36/33/598613633.db2.gz VLXUKNSQZYJLEH-UHFFFAOYSA-N -1 3 321.388 2.632 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1C1CCC1 ZINC000738150539 598618066 /nfs/dbraw/zinc/61/80/66/598618066.db2.gz AARZEYKPIDKGOM-AWEZNQCLSA-N -1 3 312.377 2.663 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1C1CCC1 ZINC000738150539 598618067 /nfs/dbraw/zinc/61/80/67/598618067.db2.gz AARZEYKPIDKGOM-AWEZNQCLSA-N -1 3 312.377 2.663 20 0 DFADHM C[C@@H](NC(=O)N1CCCC1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113949 598622921 /nfs/dbraw/zinc/62/29/21/598622921.db2.gz TVTNWYOKLUMHOD-LLVKDONJSA-N -1 3 314.393 2.512 20 0 DFADHM C[C@@H](NC(=O)N1CCCC1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113949 598622922 /nfs/dbraw/zinc/62/29/22/598622922.db2.gz TVTNWYOKLUMHOD-LLVKDONJSA-N -1 3 314.393 2.512 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N(C1CC1)C1CCCC1 ZINC000738150679 598623217 /nfs/dbraw/zinc/62/32/17/598623217.db2.gz BISLJMXLORIVNI-UHFFFAOYSA-N -1 3 312.377 2.806 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N(C1CC1)C1CCCC1 ZINC000738150679 598623219 /nfs/dbraw/zinc/62/32/19/598623219.db2.gz BISLJMXLORIVNI-UHFFFAOYSA-N -1 3 312.377 2.806 20 0 DFADHM CCCCN(CC)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736456362 598650008 /nfs/dbraw/zinc/65/00/08/598650008.db2.gz GSQPIWMUEAIFSI-UHFFFAOYSA-N -1 3 319.434 2.607 20 0 DFADHM CCCCN(CC)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736456362 598650009 /nfs/dbraw/zinc/65/00/09/598650009.db2.gz GSQPIWMUEAIFSI-UHFFFAOYSA-N -1 3 319.434 2.607 20 0 DFADHM Cc1ncsc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737504005 598673389 /nfs/dbraw/zinc/67/33/89/598673389.db2.gz RZALRIBVQFFOIY-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ncsc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737504005 598673390 /nfs/dbraw/zinc/67/33/90/598673390.db2.gz RZALRIBVQFFOIY-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM NC(=NOCc1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000737731629 598676531 /nfs/dbraw/zinc/67/65/31/598676531.db2.gz VDGXCTUPUBSJPS-UHFFFAOYSA-N -1 3 318.356 2.585 20 0 DFADHM Cc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737281739 598677382 /nfs/dbraw/zinc/67/73/82/598677382.db2.gz XLHWKKCRWXVGEO-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H](C)O1 ZINC000736409657 598678572 /nfs/dbraw/zinc/67/85/72/598678572.db2.gz WYOJVRJIMZOQBV-MWLCHTKSSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H](C)O1 ZINC000736409657 598678573 /nfs/dbraw/zinc/67/85/73/598678573.db2.gz WYOJVRJIMZOQBV-MWLCHTKSSA-N -1 3 307.785 2.524 20 0 DFADHM CCC(CC)[C@H](O)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736338445 598679604 /nfs/dbraw/zinc/67/96/04/598679604.db2.gz VAZDOZUDFJACQV-CYBMUJFWSA-N -1 3 309.801 2.729 20 0 DFADHM CCC(CC)[C@H](O)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736338445 598679606 /nfs/dbraw/zinc/67/96/06/598679606.db2.gz VAZDOZUDFJACQV-CYBMUJFWSA-N -1 3 309.801 2.729 20 0 DFADHM CCC(CC)[C@@H](O)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736338446 598679634 /nfs/dbraw/zinc/67/96/34/598679634.db2.gz VAZDOZUDFJACQV-ZDUSSCGKSA-N -1 3 309.801 2.729 20 0 DFADHM CCC(CC)[C@@H](O)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736338446 598679638 /nfs/dbraw/zinc/67/96/38/598679638.db2.gz VAZDOZUDFJACQV-ZDUSSCGKSA-N -1 3 309.801 2.729 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1C1CC1 ZINC000737292510 598717232 /nfs/dbraw/zinc/71/72/32/598717232.db2.gz ULTHCYLNPQVVQU-CQSZACIVSA-N -1 3 312.377 2.581 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1C1CC1 ZINC000737292510 598717233 /nfs/dbraw/zinc/71/72/33/598717233.db2.gz ULTHCYLNPQVVQU-CQSZACIVSA-N -1 3 312.377 2.581 20 0 DFADHM CC(C)(C)CCCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735604522 598734497 /nfs/dbraw/zinc/73/44/97/598734497.db2.gz WPGXVAYFAOGDOH-UHFFFAOYSA-N -1 3 301.394 2.699 20 0 DFADHM CC(C)(C)CCCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735604522 598734498 /nfs/dbraw/zinc/73/44/98/598734498.db2.gz WPGXVAYFAOGDOH-UHFFFAOYSA-N -1 3 301.394 2.699 20 0 DFADHM Cc1cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000737226682 598736819 /nfs/dbraw/zinc/73/68/19/598736819.db2.gz FBPDIKDHVMCEFE-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000737226682 598736820 /nfs/dbraw/zinc/73/68/20/598736820.db2.gz FBPDIKDHVMCEFE-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1nnc(N[C@@H]2CCC[C@H](C(C)C)C2)c(-c2nnn[n-]2)c1C ZINC000737522688 598758011 /nfs/dbraw/zinc/75/80/11/598758011.db2.gz WOQJYLQUHKOQMC-QWHCGFSZSA-N -1 3 315.425 2.900 20 0 DFADHM Cc1nnc(N[C@@H]2CCC[C@H](C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000737522688 598758012 /nfs/dbraw/zinc/75/80/12/598758012.db2.gz WOQJYLQUHKOQMC-QWHCGFSZSA-N -1 3 315.425 2.900 20 0 DFADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736212038 598780987 /nfs/dbraw/zinc/78/09/87/598780987.db2.gz WEQMDHRMHIABNR-QMMMGPOBSA-N -1 3 320.784 2.688 20 0 DFADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736212038 598780988 /nfs/dbraw/zinc/78/09/88/598780988.db2.gz WEQMDHRMHIABNR-QMMMGPOBSA-N -1 3 320.784 2.688 20 0 DFADHM CSc1ccc(C(=O)OCc2ccccc2-c2nnn[n-]2)o1 ZINC000737192380 598781678 /nfs/dbraw/zinc/78/16/78/598781678.db2.gz IPSZHYCVKNNQAE-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM CSc1ccc(C(=O)OCc2ccccc2-c2nn[n-]n2)o1 ZINC000737192380 598781679 /nfs/dbraw/zinc/78/16/79/598781679.db2.gz IPSZHYCVKNNQAE-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM COc1cccc(C[C@H](C)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737131995 598795799 /nfs/dbraw/zinc/79/57/99/598795799.db2.gz ZPVGAFBEXNWZPW-LBPRGKRZSA-N -1 3 309.373 2.918 20 0 DFADHM O=C(Nc1ccc2[nH]ccc2c1)c1sccc1-c1nnn[n-]1 ZINC000738176300 598811249 /nfs/dbraw/zinc/81/12/49/598811249.db2.gz XLXZDUMWLUEHSF-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(Nc1ccc2[nH]ccc2c1)c1sccc1-c1nn[n-]n1 ZINC000738176300 598811251 /nfs/dbraw/zinc/81/12/51/598811251.db2.gz XLXZDUMWLUEHSF-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(Nc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738174655 598811573 /nfs/dbraw/zinc/81/15/73/598811573.db2.gz LHBVRVUXVVRRPU-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738174655 598811575 /nfs/dbraw/zinc/81/15/75/598811575.db2.gz LHBVRVUXVVRRPU-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM Fc1cccc(N(Cc2cccnc2)C2CC2)c1-c1nnn[n-]1 ZINC000737660345 598816118 /nfs/dbraw/zinc/81/61/18/598816118.db2.gz IPLONLTYHCGWSF-UHFFFAOYSA-N -1 3 310.336 2.570 20 0 DFADHM Fc1cccc(N(Cc2cccnc2)C2CC2)c1-c1nn[n-]n1 ZINC000737660345 598816119 /nfs/dbraw/zinc/81/61/19/598816119.db2.gz IPLONLTYHCGWSF-UHFFFAOYSA-N -1 3 310.336 2.570 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1coc2ccccc12 ZINC000738190286 598822135 /nfs/dbraw/zinc/82/21/35/598822135.db2.gz CDYPJWAJLRJRBN-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1coc2ccccc12 ZINC000738190286 598822136 /nfs/dbraw/zinc/82/21/36/598822136.db2.gz CDYPJWAJLRJRBN-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM CC(=O)Nc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819817451 599359441 /nfs/dbraw/zinc/35/94/41/599359441.db2.gz HERUSQUDLLRARA-NSHDSACASA-N -1 3 322.372 2.998 20 0 DFADHM CC(=O)Nc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819817451 599359444 /nfs/dbraw/zinc/35/94/44/599359444.db2.gz HERUSQUDLLRARA-NSHDSACASA-N -1 3 322.372 2.998 20 0 DFADHM CC[C@H](C[C@H](C)CO)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820882634 599360259 /nfs/dbraw/zinc/36/02/59/599360259.db2.gz WDVWVCRWTXCOOG-VHSXEESVSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@H](C[C@H](C)CO)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820882634 599360262 /nfs/dbraw/zinc/36/02/62/599360262.db2.gz WDVWVCRWTXCOOG-VHSXEESVSA-N -1 3 309.801 2.729 20 0 DFADHM Clc1cccc(NCCCOCC2CC2)c1-c1nnn[n-]1 ZINC000822585555 599383842 /nfs/dbraw/zinc/38/38/42/599383842.db2.gz DPRIWNXIBUKKOP-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM Clc1cccc(NCCCOCC2CC2)c1-c1nn[n-]n1 ZINC000822585555 599383845 /nfs/dbraw/zinc/38/38/45/599383845.db2.gz DPRIWNXIBUKKOP-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM Clc1ccc2c(c1)CC[C@H]2NCc1ccc(-c2nnn[n-]2)o1 ZINC000822581159 599418372 /nfs/dbraw/zinc/41/83/72/599418372.db2.gz CKZSMMKCMFQFDC-CYBMUJFWSA-N -1 3 315.764 2.890 20 0 DFADHM Cc1ccc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)nc1 ZINC000822240155 607377222 /nfs/dbraw/zinc/37/72/22/607377222.db2.gz VBGHETIBVNKYCX-UHFFFAOYSA-N -1 3 312.402 2.874 20 0 DFADHM Cc1ccc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)nc1 ZINC000822240155 607377224 /nfs/dbraw/zinc/37/72/24/607377224.db2.gz VBGHETIBVNKYCX-UHFFFAOYSA-N -1 3 312.402 2.874 20 0 DFADHM Fc1ccc(NCCCOc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000822779288 599468476 /nfs/dbraw/zinc/46/84/76/599468476.db2.gz UODFFPRLKQYLJV-UHFFFAOYSA-N -1 3 313.336 2.887 20 0 DFADHM Fc1ccc(NCCCOc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000822779288 599468477 /nfs/dbraw/zinc/46/84/77/599468477.db2.gz UODFFPRLKQYLJV-UHFFFAOYSA-N -1 3 313.336 2.887 20 0 DFADHM COc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000821821568 599471895 /nfs/dbraw/zinc/47/18/95/599471895.db2.gz LEXURMBFYNWRNV-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000821821568 599471896 /nfs/dbraw/zinc/47/18/96/599471896.db2.gz LEXURMBFYNWRNV-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)CC1CC1 ZINC000822203343 599485529 /nfs/dbraw/zinc/48/55/29/599485529.db2.gz PIPOOEAZEWXXDW-UHFFFAOYSA-N -1 3 312.352 2.709 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)CC1CC1 ZINC000822203343 599485532 /nfs/dbraw/zinc/48/55/32/599485532.db2.gz PIPOOEAZEWXXDW-UHFFFAOYSA-N -1 3 312.352 2.709 20 0 DFADHM Cc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)n1 ZINC000822303477 599486522 /nfs/dbraw/zinc/48/65/22/599486522.db2.gz BWBASIJLNBTIRK-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)n1 ZINC000822303477 599486525 /nfs/dbraw/zinc/48/65/25/599486525.db2.gz BWBASIJLNBTIRK-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1ccoc1 ZINC000822332857 599490873 /nfs/dbraw/zinc/49/08/73/599490873.db2.gz URHQNCOSIOQWRB-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1ccoc1 ZINC000822332857 599490875 /nfs/dbraw/zinc/49/08/75/599490875.db2.gz URHQNCOSIOQWRB-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM CC(C)(C)CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000819914188 599492336 /nfs/dbraw/zinc/49/23/36/599492336.db2.gz ODHGSUBOKZXWAL-UHFFFAOYSA-N -1 3 318.331 2.573 20 0 DFADHM CC(C)(C)CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000819914188 599492338 /nfs/dbraw/zinc/49/23/38/599492338.db2.gz ODHGSUBOKZXWAL-UHFFFAOYSA-N -1 3 318.331 2.573 20 0 DFADHM Cc1ccsc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000822379989 599496416 /nfs/dbraw/zinc/49/64/16/599496416.db2.gz YDKVYDPJAMLYOA-UHFFFAOYSA-N -1 3 322.397 2.819 20 0 DFADHM Cc1ccsc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000822379989 599496419 /nfs/dbraw/zinc/49/64/19/599496419.db2.gz YDKVYDPJAMLYOA-UHFFFAOYSA-N -1 3 322.397 2.819 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1NCCOC1CCCC1 ZINC000822585580 599499135 /nfs/dbraw/zinc/49/91/35/599499135.db2.gz GBGCZTLHUSKVEG-UHFFFAOYSA-N -1 3 307.785 2.891 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1NCCOC1CCCC1 ZINC000822585580 599499139 /nfs/dbraw/zinc/49/91/39/599499139.db2.gz GBGCZTLHUSKVEG-UHFFFAOYSA-N -1 3 307.785 2.891 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)CC(C)C ZINC000822203335 599500377 /nfs/dbraw/zinc/50/03/77/599500377.db2.gz OYNRSYQBJPQIIN-UHFFFAOYSA-N -1 3 314.368 2.955 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)CC(C)C ZINC000822203335 599500378 /nfs/dbraw/zinc/50/03/78/599500378.db2.gz OYNRSYQBJPQIIN-UHFFFAOYSA-N -1 3 314.368 2.955 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822226493 599515759 /nfs/dbraw/zinc/51/57/59/599515759.db2.gz VGXMPRBYLUJPDI-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822226493 599515762 /nfs/dbraw/zinc/51/57/62/599515762.db2.gz VGXMPRBYLUJPDI-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM C[C@@H](NC(=O)[C@H](C)C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820314877 599521365 /nfs/dbraw/zinc/52/13/65/599521365.db2.gz LPYMMIPAOCCTHX-WDEREUQCSA-N -1 3 301.394 2.726 20 0 DFADHM C[C@@H](NC(=O)[C@H](C)C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820314877 599521366 /nfs/dbraw/zinc/52/13/66/599521366.db2.gz LPYMMIPAOCCTHX-WDEREUQCSA-N -1 3 301.394 2.726 20 0 DFADHM Cc1ccc([C@H](C)CNc2nnc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000737319865 599528373 /nfs/dbraw/zinc/52/83/73/599528373.db2.gz GWYSIUXBOHFNOT-LLVKDONJSA-N -1 3 323.404 2.798 20 0 DFADHM Cc1ccc([C@H](C)CNc2nnc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000737319865 599528374 /nfs/dbraw/zinc/52/83/74/599528374.db2.gz GWYSIUXBOHFNOT-LLVKDONJSA-N -1 3 323.404 2.798 20 0 DFADHM Cc1cccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822284042 599529723 /nfs/dbraw/zinc/52/97/23/599529723.db2.gz HESPUFTZJBAVJI-GFCCVEGCSA-N -1 3 307.357 2.666 20 0 DFADHM Cc1cccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822284042 599529725 /nfs/dbraw/zinc/52/97/25/599529725.db2.gz HESPUFTZJBAVJI-GFCCVEGCSA-N -1 3 307.357 2.666 20 0 DFADHM C[C@@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820690640 599532400 /nfs/dbraw/zinc/53/24/00/599532400.db2.gz PKJNOINUEIVMAB-JMSVASOKSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820690640 599532402 /nfs/dbraw/zinc/53/24/02/599532402.db2.gz PKJNOINUEIVMAB-JMSVASOKSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000735559972 599544449 /nfs/dbraw/zinc/54/44/49/599544449.db2.gz NYCRNBKEFUJDNW-MRVPVSSYSA-N -1 3 317.349 2.810 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000735559972 599544451 /nfs/dbraw/zinc/54/44/51/599544451.db2.gz NYCRNBKEFUJDNW-MRVPVSSYSA-N -1 3 317.349 2.810 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000822284568 599545157 /nfs/dbraw/zinc/54/51/57/599545157.db2.gz VIFWXXLFPZKIDQ-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000822284568 599545159 /nfs/dbraw/zinc/54/51/59/599545159.db2.gz VIFWXXLFPZKIDQ-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1ncsc1CN(C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000822482564 599547595 /nfs/dbraw/zinc/54/75/95/599547595.db2.gz WCMYAPOYNBJRGO-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM CC(C)(C)OC(=O)CCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819928223 599572790 /nfs/dbraw/zinc/57/27/90/599572790.db2.gz KYMPKWBQTSOSLC-UHFFFAOYSA-N -1 3 323.784 2.664 20 0 DFADHM CC(C)(C)OC(=O)CCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819928223 599572789 /nfs/dbraw/zinc/57/27/89/599572789.db2.gz KYMPKWBQTSOSLC-UHFFFAOYSA-N -1 3 323.784 2.664 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(NCCCc2ccccn2)c1 ZINC000822568670 607384407 /nfs/dbraw/zinc/38/44/07/607384407.db2.gz VYPAYKSUGVJVSS-UHFFFAOYSA-N -1 3 314.780 2.960 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(NCCCc2ccccn2)c1 ZINC000822568670 607384408 /nfs/dbraw/zinc/38/44/08/607384408.db2.gz VYPAYKSUGVJVSS-UHFFFAOYSA-N -1 3 314.780 2.960 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCc1cccs1 ZINC000826251782 607384598 /nfs/dbraw/zinc/38/45/98/607384598.db2.gz AENJEEUWAXTZMJ-UHFFFAOYSA-N -1 3 314.370 2.636 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCc1cccs1 ZINC000826251782 607384600 /nfs/dbraw/zinc/38/46/00/607384600.db2.gz AENJEEUWAXTZMJ-UHFFFAOYSA-N -1 3 314.370 2.636 20 0 DFADHM COC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000821684337 599578835 /nfs/dbraw/zinc/57/88/35/599578835.db2.gz YPPAKZYBYJKZBS-CQSZACIVSA-N -1 3 313.336 2.805 20 0 DFADHM COC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000821684337 599578837 /nfs/dbraw/zinc/57/88/37/599578837.db2.gz YPPAKZYBYJKZBS-CQSZACIVSA-N -1 3 313.336 2.805 20 0 DFADHM c1ccc(C[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000823779542 599580512 /nfs/dbraw/zinc/58/05/12/599580512.db2.gz FZTRFLBGKOWAQR-HNNXBMFYSA-N -1 3 305.385 2.936 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OC[C@@H](C)C(F)(F)F ZINC000826252341 607385384 /nfs/dbraw/zinc/38/53/84/607385384.db2.gz ZTDJGCWTMQXSGB-MRVPVSSYSA-N -1 3 314.267 2.530 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OC[C@@H](C)C(F)(F)F ZINC000826252341 607385386 /nfs/dbraw/zinc/38/53/86/607385386.db2.gz ZTDJGCWTMQXSGB-MRVPVSSYSA-N -1 3 314.267 2.530 20 0 DFADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735571333 599606722 /nfs/dbraw/zinc/60/67/22/599606722.db2.gz BQVUPSAREOZRLI-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735571333 599606724 /nfs/dbraw/zinc/60/67/24/599606724.db2.gz BQVUPSAREOZRLI-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@@H](OC(=O)[C@@H](C)c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820489106 599621367 /nfs/dbraw/zinc/62/13/67/599621367.db2.gz ZGJCPSSBOVXRKW-WDEREUQCSA-N -1 3 312.329 2.868 20 0 DFADHM C[C@@H](OC(=O)[C@@H](C)c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820489106 599621368 /nfs/dbraw/zinc/62/13/68/599621368.db2.gz ZGJCPSSBOVXRKW-WDEREUQCSA-N -1 3 312.329 2.868 20 0 DFADHM C[C@H](OC(=O)[C@H]1Cc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820488512 599622238 /nfs/dbraw/zinc/62/22/38/599622238.db2.gz OXICZEVZUJZVGP-ZBEGNZNMSA-N -1 3 320.352 2.811 20 0 DFADHM C[C@H](OC(=O)[C@H]1Cc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820488512 599622239 /nfs/dbraw/zinc/62/22/39/599622239.db2.gz OXICZEVZUJZVGP-ZBEGNZNMSA-N -1 3 320.352 2.811 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690358 599623162 /nfs/dbraw/zinc/62/31/62/599623162.db2.gz KJZXAOIGWCGWLB-FZMZJTMJSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690358 599623163 /nfs/dbraw/zinc/62/31/63/599623163.db2.gz KJZXAOIGWCGWLB-FZMZJTMJSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CC(OC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](C)C1 ZINC000820650060 599625359 /nfs/dbraw/zinc/62/53/59/599625359.db2.gz QXDQACXHPQOQLT-GHMZBOCLSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@H]1CC(OC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](C)C1 ZINC000820650060 599625360 /nfs/dbraw/zinc/62/53/60/599625360.db2.gz QXDQACXHPQOQLT-GHMZBOCLSA-N -1 3 300.362 2.848 20 0 DFADHM O=C(CC1CCC1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822940866 599628942 /nfs/dbraw/zinc/62/89/42/599628942.db2.gz HWEBDPMFMINSQY-UHFFFAOYSA-N -1 3 317.418 2.936 20 0 DFADHM O=C(CC1CCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822940866 599628943 /nfs/dbraw/zinc/62/89/43/599628943.db2.gz HWEBDPMFMINSQY-UHFFFAOYSA-N -1 3 317.418 2.936 20 0 DFADHM CC(C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820050522 599632538 /nfs/dbraw/zinc/63/25/38/599632538.db2.gz BBLPEDNXZQLFPI-UHFFFAOYSA-N -1 3 313.283 2.870 20 0 DFADHM CC(C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820050522 599632539 /nfs/dbraw/zinc/63/25/39/599632539.db2.gz BBLPEDNXZQLFPI-UHFFFAOYSA-N -1 3 313.283 2.870 20 0 DFADHM CC[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820862134 599633793 /nfs/dbraw/zinc/63/37/93/599633793.db2.gz PCXGADVMXDUEKL-SSDOTTSWSA-N -1 3 313.283 2.870 20 0 DFADHM CC[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820862134 599633794 /nfs/dbraw/zinc/63/37/94/599633794.db2.gz PCXGADVMXDUEKL-SSDOTTSWSA-N -1 3 313.283 2.870 20 0 DFADHM c1ccc(CC2(CNc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000823779548 607386578 /nfs/dbraw/zinc/38/65/78/607386578.db2.gz GAYLMXQSPHYQFQ-UHFFFAOYSA-N -1 3 306.373 2.697 20 0 DFADHM c1ccc(CC2(CNc3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000823779548 607386581 /nfs/dbraw/zinc/38/65/81/607386581.db2.gz 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CC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000824024821 607650898 /nfs/dbraw/zinc/65/08/98/607650898.db2.gz QMSRUHJZSJVKKB-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM Cc1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826288965 607652231 /nfs/dbraw/zinc/65/22/31/607652231.db2.gz DSBFGYDGUVYBCJ-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826288965 607652233 /nfs/dbraw/zinc/65/22/33/607652233.db2.gz DSBFGYDGUVYBCJ-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1nc(C)c(-c2nnn[n-]2)c(SC[C@H](C)C(F)(F)F)n1 ZINC000826324138 607658849 /nfs/dbraw/zinc/65/88/49/607658849.db2.gz GBVGPZITVFTTPG-YFKPBYRVSA-N -1 3 318.328 2.564 20 0 DFADHM Cc1nc(C)c(-c2nn[n-]n2)c(SC[C@H](C)C(F)(F)F)n1 ZINC000826324138 607658851 /nfs/dbraw/zinc/65/88/51/607658851.db2.gz GBVGPZITVFTTPG-YFKPBYRVSA-N -1 3 318.328 2.564 20 0 DFADHM C[C@@H](c1ccccn1)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000825645443 603960743 /nfs/dbraw/zinc/96/07/43/603960743.db2.gz 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3 308.378 2.545 20 0 DFADHM CC(C)Oc1cc(CNc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000824319115 607734689 /nfs/dbraw/zinc/73/46/89/607734689.db2.gz GJZPFSJIWIZWKP-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM Cc1nn(C)cc1[C@H](C)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830864404 605119892 /nfs/dbraw/zinc/11/98/92/605119892.db2.gz FCDMJYLPLGDZPH-RYUDHWBXSA-N -1 3 316.405 2.908 20 0 DFADHM Cc1ccccc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC000826305911 607736630 /nfs/dbraw/zinc/73/66/30/607736630.db2.gz LUNGLRSOLSEIJH-OAHLLOKOSA-N -1 3 324.388 2.630 20 0 DFADHM Cc1ccccc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC000826305911 607736631 /nfs/dbraw/zinc/73/66/31/607736631.db2.gz LUNGLRSOLSEIJH-OAHLLOKOSA-N -1 3 324.388 2.630 20 0 DFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000833547509 605245218 /nfs/dbraw/zinc/24/52/18/605245218.db2.gz UHGTTYXNWRJEQL-DIFFPNOSSA-N -1 3 319.332 2.771 20 0 DFADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCCO[C@@H](c3ccccc3)C2)O1 ZINC000833576915 605330421 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/nfs/dbraw/zinc/06/04/18/606060418.db2.gz PEZROUPGRKCWAK-JTQLQIEISA-N -1 3 313.336 2.909 20 0 DFADHM FC(F)(F)c1ccccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000822728274 606063356 /nfs/dbraw/zinc/06/33/56/606063356.db2.gz FFDRYPKNBMBATQ-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM FC(F)(F)c1ccccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000822728274 606063362 /nfs/dbraw/zinc/06/33/62/606063362.db2.gz FFDRYPKNBMBATQ-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM Cc1ccc(C)n1C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822232101 606063823 /nfs/dbraw/zinc/06/38/23/606063823.db2.gz SYTZXTPLMBMLQF-UHFFFAOYSA-N -1 3 323.404 2.522 20 0 DFADHM Cc1ccc(C)n1C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000822232101 606063826 /nfs/dbraw/zinc/06/38/26/606063826.db2.gz SYTZXTPLMBMLQF-UHFFFAOYSA-N -1 3 323.404 2.522 20 0 DFADHM COC1CCC(CNc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821680008 606103143 /nfs/dbraw/zinc/10/31/43/606103143.db2.gz WFABIDDCXBCWRO-UHFFFAOYSA-N -1 3 305.357 2.623 20 0 DFADHM COc1ccccc1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 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/nfs/dbraw/zinc/17/43/99/606174399.db2.gz DFMUBWOMWKNOHO-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM C[C@H]1[C@H](c2ccccc2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820643634 606233735 /nfs/dbraw/zinc/23/37/35/606233735.db2.gz XTQQLJRVYTYTFM-SWLSCSKDSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1[C@H](c2ccccc2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820643634 606233737 /nfs/dbraw/zinc/23/37/37/606233737.db2.gz XTQQLJRVYTYTFM-SWLSCSKDSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1Cl ZINC000820502523 606234081 /nfs/dbraw/zinc/23/40/81/606234081.db2.gz UALSQANSVHQOGG-QMMMGPOBSA-N -1 3 317.736 2.766 20 0 DFADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1Cl ZINC000820502523 606234083 /nfs/dbraw/zinc/23/40/83/606234083.db2.gz UALSQANSVHQOGG-QMMMGPOBSA-N -1 3 317.736 2.766 20 0 DFADHM CC(C)c1cccc(N(C)C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000820197595 606235091 /nfs/dbraw/zinc/23/50/91/606235091.db2.gz MJSTUOBILRSFAH-UHFFFAOYSA-N -1 3 324.388 2.605 20 0 DFADHM CC(C)c1cccc(N(C)C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000820197595 606235092 /nfs/dbraw/zinc/23/50/92/606235092.db2.gz MJSTUOBILRSFAH-UHFFFAOYSA-N -1 3 324.388 2.605 20 0 DFADHM Cc1ccc(N(C(=O)c2cc(-c3nnn[n-]3)cn2C)C(C)C)cc1 ZINC000822241252 606240686 /nfs/dbraw/zinc/24/06/86/606240686.db2.gz POCQTILXFBCKCI-UHFFFAOYSA-N -1 3 324.388 2.569 20 0 DFADHM Cc1ccc(N(C(=O)c2cc(-c3nn[n-]n3)cn2C)C(C)C)cc1 ZINC000822241252 606240687 /nfs/dbraw/zinc/24/06/87/606240687.db2.gz POCQTILXFBCKCI-UHFFFAOYSA-N -1 3 324.388 2.569 20 0 DFADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccsc1 ZINC000819866599 606264399 /nfs/dbraw/zinc/26/43/99/606264399.db2.gz OEYBXADZAUAICD-QMMMGPOBSA-N -1 3 317.349 2.810 20 0 DFADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccsc1 ZINC000819866599 606264401 /nfs/dbraw/zinc/26/44/01/606264401.db2.gz OEYBXADZAUAICD-QMMMGPOBSA-N -1 3 317.349 2.810 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CCCC1 ZINC000819866212 606268268 /nfs/dbraw/zinc/26/82/68/606268268.db2.gz 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CC(C)(C)C(=O)CSCc1cc(-c2nnn[n-]2)ccc1F ZINC000819892034 606332075 /nfs/dbraw/zinc/33/20/75/606332075.db2.gz QZEGHWLTPMFEDG-UHFFFAOYSA-N -1 3 308.382 2.854 20 0 DFADHM CC(C)(C)C(=O)CSCc1cc(-c2nn[n-]n2)ccc1F ZINC000819892034 606332076 /nfs/dbraw/zinc/33/20/76/606332076.db2.gz QZEGHWLTPMFEDG-UHFFFAOYSA-N -1 3 308.382 2.854 20 0 DFADHM Cc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(O)c1 ZINC000822227877 606346877 /nfs/dbraw/zinc/34/68/77/606346877.db2.gz ZGLGVNOCJFRYEI-NSHDSACASA-N -1 3 324.340 2.799 20 0 DFADHM Cc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(O)c1 ZINC000822227877 606346879 /nfs/dbraw/zinc/34/68/79/606346879.db2.gz ZGLGVNOCJFRYEI-NSHDSACASA-N -1 3 324.340 2.799 20 0 DFADHM C[C@H](OC(=O)COc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495662 606350798 /nfs/dbraw/zinc/35/07/98/606350798.db2.gz ISWZIOBDWUFUSE-LBPRGKRZSA-N -1 3 324.340 2.550 20 0 DFADHM C[C@H](OC(=O)COc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495662 606350800 /nfs/dbraw/zinc/35/08/00/606350800.db2.gz ISWZIOBDWUFUSE-LBPRGKRZSA-N -1 3 324.340 2.550 20 0 DFADHM CCCCO[C@H](C)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821071582 606351740 /nfs/dbraw/zinc/35/17/40/606351740.db2.gz JISPDLYOAULQGL-NWDGAFQWSA-N -1 3 318.377 2.676 20 0 DFADHM CCCCO[C@H](C)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821071582 606351741 /nfs/dbraw/zinc/35/17/41/606351741.db2.gz JISPDLYOAULQGL-NWDGAFQWSA-N -1 3 318.377 2.676 20 0 DFADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CCCC1 ZINC000820380517 606353960 /nfs/dbraw/zinc/35/39/60/606353960.db2.gz VMNNLQBAKATLHN-VIFPVBQESA-N -1 3 318.356 2.706 20 0 DFADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CCCC1 ZINC000820380517 606353963 /nfs/dbraw/zinc/35/39/63/606353963.db2.gz VMNNLQBAKATLHN-VIFPVBQESA-N -1 3 318.356 2.706 20 0 DFADHM C[C@H](OC(=O)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512507 606354732 /nfs/dbraw/zinc/35/47/32/606354732.db2.gz LRZMXTWTEPNTEB-JTQLQIEISA-N -1 3 312.304 2.924 20 0 DFADHM C[C@H](OC(=O)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512507 606354734 /nfs/dbraw/zinc/35/47/34/606354734.db2.gz LRZMXTWTEPNTEB-JTQLQIEISA-N -1 3 312.304 2.924 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820870401 606355563 /nfs/dbraw/zinc/35/55/63/606355563.db2.gz SDFRPVLYFQXOMY-NXEZZACHSA-N -1 3 320.372 2.952 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820870401 606355564 /nfs/dbraw/zinc/35/55/64/606355564.db2.gz SDFRPVLYFQXOMY-NXEZZACHSA-N -1 3 320.372 2.952 20 0 DFADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC1 ZINC000823455166 606360856 /nfs/dbraw/zinc/36/08/56/606360856.db2.gz XUHWKKSMIPBBQT-UHFFFAOYSA-N -1 3 322.324 2.974 20 0 DFADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CC1 ZINC000823455166 606360857 /nfs/dbraw/zinc/36/08/57/606360857.db2.gz XUHWKKSMIPBBQT-UHFFFAOYSA-N -1 3 322.324 2.974 20 0 DFADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000820051952 606427293 /nfs/dbraw/zinc/42/72/93/606427293.db2.gz YSCSQQBVJPTXEA-ABAIWWIYSA-N -1 3 319.384 2.869 20 0 DFADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000820051952 606427295 /nfs/dbraw/zinc/42/72/95/606427295.db2.gz YSCSQQBVJPTXEA-ABAIWWIYSA-N -1 3 319.384 2.869 20 0 DFADHM CC[C@H](CNc1ncccc1-c1nnn[n-]1)Oc1ccccc1C ZINC000820907627 606427781 /nfs/dbraw/zinc/42/77/81/606427781.db2.gz FJOXMOKAAQPAQP-CYBMUJFWSA-N -1 3 324.388 2.840 20 0 DFADHM CC[C@H](CNc1ncccc1-c1nn[n-]n1)Oc1ccccc1C ZINC000820907627 606427782 /nfs/dbraw/zinc/42/77/82/606427782.db2.gz FJOXMOKAAQPAQP-CYBMUJFWSA-N -1 3 324.388 2.840 20 0 DFADHM CO[C@@H](C)c1nc(CNc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821675586 606429297 /nfs/dbraw/zinc/42/92/97/606429297.db2.gz OUTWENPZZJJHGU-VIFPVBQESA-N -1 3 316.390 2.643 20 0 DFADHM CC(=O)Nc1ccc(C)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000819817430 606454248 /nfs/dbraw/zinc/45/42/48/606454248.db2.gz GHWOXWHAGBQPMI-UHFFFAOYSA-N -1 3 322.372 2.746 20 0 DFADHM CC(=O)Nc1ccc(C)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000819817430 606454249 /nfs/dbraw/zinc/45/42/49/606454249.db2.gz GHWOXWHAGBQPMI-UHFFFAOYSA-N -1 3 322.372 2.746 20 0 DFADHM Cn1ccc2c1cccc2NCc1cccc(-c2nnn[n-]2)c1 ZINC000822688828 606455930 /nfs/dbraw/zinc/45/59/30/606455930.db2.gz AQUDAAVLXIUDGD-UHFFFAOYSA-N -1 3 304.357 2.971 20 0 DFADHM Cn1ccc2c1cccc2NCc1cccc(-c2nn[n-]n2)c1 ZINC000822688828 606455932 /nfs/dbraw/zinc/45/59/32/606455932.db2.gz AQUDAAVLXIUDGD-UHFFFAOYSA-N -1 3 304.357 2.971 20 0 DFADHM Fc1cc(NCc2cccc(-c3nnn[n-]3)c2)cc(F)c1F ZINC000822754240 606463502 /nfs/dbraw/zinc/46/35/02/606463502.db2.gz XMZUSGYYNWFESH-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1cc(NCc2cccc(-c3nn[n-]n3)c2)cc(F)c1F ZINC000822754240 606463504 /nfs/dbraw/zinc/46/35/04/606463504.db2.gz XMZUSGYYNWFESH-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Cc1ccc(F)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822240903 606477157 /nfs/dbraw/zinc/47/71/57/606477157.db2.gz DGJOIZVTRXQJLP-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1ccc(F)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822240903 606477158 /nfs/dbraw/zinc/47/71/58/606477158.db2.gz DGJOIZVTRXQJLP-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM c1ccc2c(c1)CCS[C@@H]2CNc1ccc(-c2nnn[n-]2)cn1 ZINC000823797194 606478905 /nfs/dbraw/zinc/47/89/05/606478905.db2.gz MVUQKBNCMMNPPU-CQSZACIVSA-N -1 3 324.413 2.704 20 0 DFADHM c1ccc2c(c1)CCS[C@@H]2CNc1ccc(-c2nn[n-]n2)cn1 ZINC000823797194 606478906 /nfs/dbraw/zinc/47/89/06/606478906.db2.gz MVUQKBNCMMNPPU-CQSZACIVSA-N -1 3 324.413 2.704 20 0 DFADHM Cc1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)c(F)c1 ZINC000822227765 606490332 /nfs/dbraw/zinc/49/03/32/606490332.db2.gz VAQSWFJECZCBHV-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)c(F)c1 ZINC000822227765 606490333 /nfs/dbraw/zinc/49/03/33/606490333.db2.gz VAQSWFJECZCBHV-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM CCC1CCC(NC(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820973684 606490891 /nfs/dbraw/zinc/49/08/91/606490891.db2.gz ZKMLDQHMKSBHAF-UHFFFAOYSA-N -1 3 305.407 2.627 20 0 DFADHM CCC1CCC(NC(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820973684 606490893 /nfs/dbraw/zinc/49/08/93/606490893.db2.gz ZKMLDQHMKSBHAF-UHFFFAOYSA-N -1 3 305.407 2.627 20 0 DFADHM CC[C@H](C)[C@@H](C)N(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CC1 ZINC000820860213 606507221 /nfs/dbraw/zinc/50/72/21/606507221.db2.gz IHGPVMHYYJBGIX-VHSXEESVSA-N -1 3 319.434 2.967 20 0 DFADHM CC[C@H](C)[C@@H](C)N(C(=O)c1cc(-c2nn[n-]n2)cs1)C1CC1 ZINC000820860213 606507223 /nfs/dbraw/zinc/50/72/23/606507223.db2.gz IHGPVMHYYJBGIX-VHSXEESVSA-N -1 3 319.434 2.967 20 0 DFADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820038072 606507280 /nfs/dbraw/zinc/50/72/80/606507280.db2.gz JZSGBMSLPRZISE-RYUDHWBXSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820038072 606507281 /nfs/dbraw/zinc/50/72/81/606507281.db2.gz JZSGBMSLPRZISE-RYUDHWBXSA-N -1 3 319.434 2.873 20 0 DFADHM CC[C@]1(C)CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820951220 606544105 /nfs/dbraw/zinc/54/41/05/606544105.db2.gz WQOUKEPSZUFOQX-CQSZACIVSA-N -1 3 305.407 2.581 20 0 DFADHM CC[C@]1(C)CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820951220 606544106 /nfs/dbraw/zinc/54/41/06/606544106.db2.gz WQOUKEPSZUFOQX-CQSZACIVSA-N -1 3 305.407 2.581 20 0 DFADHM C[C@H](N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1)C1(C)CC1 ZINC000820307840 606552197 /nfs/dbraw/zinc/55/21/97/606552197.db2.gz PINWPAACBWMXKK-LAUAKBEESA-N -1 3 311.389 2.527 20 0 DFADHM C[C@H](N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1)C1(C)CC1 ZINC000820307840 606552198 /nfs/dbraw/zinc/55/21/98/606552198.db2.gz PINWPAACBWMXKK-LAUAKBEESA-N -1 3 311.389 2.527 20 0 DFADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820462000 606591888 /nfs/dbraw/zinc/59/18/88/606591888.db2.gz UERZRQBWQCMTPF-JRPNMDOOSA-N -1 3 322.372 2.627 20 0 DFADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820462000 606591890 /nfs/dbraw/zinc/59/18/90/606591890.db2.gz UERZRQBWQCMTPF-JRPNMDOOSA-N -1 3 322.372 2.627 20 0 DFADHM CC(C)CC(C)(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820050573 606603438 /nfs/dbraw/zinc/60/34/38/606603438.db2.gz CFCSAOHCZPVKEY-UHFFFAOYSA-N -1 3 319.384 2.694 20 0 DFADHM CC(C)CC(C)(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820050573 606603439 /nfs/dbraw/zinc/60/34/39/606603439.db2.gz CFCSAOHCZPVKEY-UHFFFAOYSA-N -1 3 319.384 2.694 20 0 DFADHM CO[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1(C)C ZINC000821679179 606609563 /nfs/dbraw/zinc/60/95/63/606609563.db2.gz YFGCIOQJVIHAPS-RYUDHWBXSA-N -1 3 307.785 2.746 20 0 DFADHM CO[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1(C)C ZINC000821679179 606609564 /nfs/dbraw/zinc/60/95/64/606609564.db2.gz YFGCIOQJVIHAPS-RYUDHWBXSA-N -1 3 307.785 2.746 20 0 DFADHM CO[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1(C)C ZINC000821679178 606609873 /nfs/dbraw/zinc/60/98/73/606609873.db2.gz YFGCIOQJVIHAPS-NWDGAFQWSA-N -1 3 307.785 2.746 20 0 DFADHM CO[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1(C)C ZINC000821679178 606609875 /nfs/dbraw/zinc/60/98/75/606609875.db2.gz YFGCIOQJVIHAPS-NWDGAFQWSA-N -1 3 307.785 2.746 20 0 DFADHM CC(C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)=C1CCCC1 ZINC000819854249 606618787 /nfs/dbraw/zinc/61/87/87/606618787.db2.gz BHGVHQNSRBEJDE-LBPRGKRZSA-N -1 3 311.389 2.934 20 0 DFADHM CC(C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)=C1CCCC1 ZINC000819854249 606618788 /nfs/dbraw/zinc/61/87/88/606618788.db2.gz BHGVHQNSRBEJDE-LBPRGKRZSA-N -1 3 311.389 2.934 20 0 DFADHM CC(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)=C1CCCC1 ZINC000819854912 606619766 /nfs/dbraw/zinc/61/97/66/606619766.db2.gz DBIPMZZJVJKLGL-UHFFFAOYSA-N -1 3 315.352 2.513 20 0 DFADHM CC(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)=C1CCCC1 ZINC000819854912 606619768 /nfs/dbraw/zinc/61/97/68/606619768.db2.gz DBIPMZZJVJKLGL-UHFFFAOYSA-N -1 3 315.352 2.513 20 0 DFADHM C[C@H](NC(=O)/C=C1/CC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820676491 606620638 /nfs/dbraw/zinc/62/06/38/606620638.db2.gz NKTYVLJUFUPABS-YFNPVVSBSA-N -1 3 311.389 2.790 20 0 DFADHM C[C@H](NC(=O)/C=C1/CC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820676491 606620639 /nfs/dbraw/zinc/62/06/39/606620639.db2.gz NKTYVLJUFUPABS-YFNPVVSBSA-N -1 3 311.389 2.790 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000820678777 606621764 /nfs/dbraw/zinc/62/17/64/606621764.db2.gz YHKHHQTXCCFUDW-QBQSQJOESA-N -1 3 316.336 2.795 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000820678777 606621765 /nfs/dbraw/zinc/62/17/65/606621765.db2.gz YHKHHQTXCCFUDW-QBQSQJOESA-N -1 3 316.336 2.795 20 0 DFADHM CCCC[C@@H](CCC)CNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821040738 606625488 /nfs/dbraw/zinc/62/54/88/606625488.db2.gz QSKZMCOPKNXOHS-GFCCVEGCSA-N -1 3 318.425 2.542 20 0 DFADHM CCCC[C@@H](CCC)CNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821040738 606625490 /nfs/dbraw/zinc/62/54/90/606625490.db2.gz QSKZMCOPKNXOHS-GFCCVEGCSA-N -1 3 318.425 2.542 20 0 DFADHM CC1(C)CCC[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820590717 606626537 /nfs/dbraw/zinc/62/65/37/606626537.db2.gz ZBKYYOHTGNRRII-GFCCVEGCSA-N -1 3 316.434 2.732 20 0 DFADHM CC1(C)CCC[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820590717 606626539 /nfs/dbraw/zinc/62/65/39/606626539.db2.gz ZBKYYOHTGNRRII-GFCCVEGCSA-N -1 3 316.434 2.732 20 0 DFADHM Cc1cnc([C@H](C)NCc2ccc(-c3nnn[n-]3)s2)s1 ZINC000822389071 606628313 /nfs/dbraw/zinc/62/83/13/606628313.db2.gz KHFDXGHESQNDEH-QMMMGPOBSA-N -1 3 306.420 2.544 20 0 DFADHM Cc1cnc([C@H](C)NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC000822389071 606628317 /nfs/dbraw/zinc/62/83/17/606628317.db2.gz KHFDXGHESQNDEH-QMMMGPOBSA-N -1 3 306.420 2.544 20 0 DFADHM CCc1nc(CSc2ccc(Cl)cc2-c2nnn[n-]2)no1 ZINC000821510334 606630202 /nfs/dbraw/zinc/63/02/02/606630202.db2.gz ZKJGUWGBXQNYPW-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM CCc1nc(CSc2ccc(Cl)cc2-c2nn[n-]n2)no1 ZINC000821510334 606630204 /nfs/dbraw/zinc/63/02/04/606630204.db2.gz ZKJGUWGBXQNYPW-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823358785 606632521 /nfs/dbraw/zinc/63/25/21/606632521.db2.gz FDYRMYWLMYGZGU-STQMWFEESA-N -1 3 312.377 2.521 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823358785 606632523 /nfs/dbraw/zinc/63/25/23/606632523.db2.gz FDYRMYWLMYGZGU-STQMWFEESA-N -1 3 312.377 2.521 20 0 DFADHM C[C@H](O)c1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000820480750 606638584 /nfs/dbraw/zinc/63/85/84/606638584.db2.gz OGTONAVPXQSDCA-JTQLQIEISA-N -1 3 314.320 2.638 20 0 DFADHM C[C@H](O)c1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000820480750 606638585 /nfs/dbraw/zinc/63/85/85/606638585.db2.gz OGTONAVPXQSDCA-JTQLQIEISA-N -1 3 314.320 2.638 20 0 DFADHM CCCN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000821082860 606660614 /nfs/dbraw/zinc/66/06/14/606660614.db2.gz PXUITIQQFQPXCZ-KHPPLWFESA-N -1 3 313.405 2.917 20 0 DFADHM CCCN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000821082860 606660615 /nfs/dbraw/zinc/66/06/15/606660615.db2.gz PXUITIQQFQPXCZ-KHPPLWFESA-N -1 3 313.405 2.917 20 0 DFADHM CC(C)CC[C@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820072505 606663623 /nfs/dbraw/zinc/66/36/23/606663623.db2.gz IBEYTWXXPKAOBD-VIFPVBQESA-N -1 3 323.347 2.699 20 0 DFADHM CC(C)CC[C@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820072505 606663624 /nfs/dbraw/zinc/66/36/24/606663624.db2.gz IBEYTWXXPKAOBD-VIFPVBQESA-N -1 3 323.347 2.699 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823368482 606664305 /nfs/dbraw/zinc/66/43/05/606664305.db2.gz YCCDILNZDVOBAE-ZFWWWQNUSA-N -1 3 319.368 2.684 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823368482 606664306 /nfs/dbraw/zinc/66/43/06/606664306.db2.gz YCCDILNZDVOBAE-ZFWWWQNUSA-N -1 3 319.368 2.684 20 0 DFADHM CC(C)CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)C ZINC000820081811 606670595 /nfs/dbraw/zinc/67/05/95/606670595.db2.gz WXYJMSIOQJZTFX-UHFFFAOYSA-N -1 3 323.347 2.652 20 0 DFADHM CC(C)CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)C ZINC000820081811 606670596 /nfs/dbraw/zinc/67/05/96/606670596.db2.gz WXYJMSIOQJZTFX-UHFFFAOYSA-N -1 3 323.347 2.652 20 0 DFADHM CCCCCC(C)(C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821042531 606688555 /nfs/dbraw/zinc/68/85/55/606688555.db2.gz 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Cc1nc(C)c(-c2nnn[n-]2)c(SCCCOC(C)(C)C)n1 ZINC000822427763 606793473 /nfs/dbraw/zinc/79/34/73/606793473.db2.gz TWHWEKRBIOKYFW-UHFFFAOYSA-N -1 3 322.438 2.571 20 0 DFADHM Cc1nc(C)c(-c2nn[n-]n2)c(SCCCOC(C)(C)C)n1 ZINC000822427763 606793474 /nfs/dbraw/zinc/79/34/74/606793474.db2.gz TWHWEKRBIOKYFW-UHFFFAOYSA-N -1 3 322.438 2.571 20 0 DFADHM CCCN(CCC)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000821099594 606821346 /nfs/dbraw/zinc/82/13/46/606821346.db2.gz KHRJGPRWHYKOAB-UHFFFAOYSA-N -1 3 319.434 2.607 20 0 DFADHM CCCN(CCC)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000821099594 606821344 /nfs/dbraw/zinc/82/13/44/606821344.db2.gz KHRJGPRWHYKOAB-UHFFFAOYSA-N -1 3 319.434 2.607 20 0 DFADHM C[C@H](NC(=O)Nc1ccsc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380485 606829691 /nfs/dbraw/zinc/82/96/91/606829691.db2.gz UQFNNKZCWWLNPF-VIFPVBQESA-N -1 3 314.374 2.811 20 0 DFADHM C[C@H](NC(=O)Nc1ccsc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380485 606829693 /nfs/dbraw/zinc/82/96/93/606829693.db2.gz UQFNNKZCWWLNPF-VIFPVBQESA-N -1 3 314.374 2.811 20 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/nfs/dbraw/zinc/90/54/08/606905408.db2.gz CDLZQZCQEMSSDN-RKDXNWHRSA-N -1 3 320.784 2.925 20 0 DFADHM CCCC[C@@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821040334 606924547 /nfs/dbraw/zinc/92/45/47/606924547.db2.gz KFVKJCDSDDURQH-NEPJUHHUSA-N -1 3 318.377 2.756 20 0 DFADHM CCC(CC)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820893525 606946572 /nfs/dbraw/zinc/94/65/72/606946572.db2.gz PXEZASJCBKECBM-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CCC(CC)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820893525 606946573 /nfs/dbraw/zinc/94/65/73/606946573.db2.gz PXEZASJCBKECBM-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM COc1ccc(CNc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000821821710 606946888 /nfs/dbraw/zinc/94/68/88/606946888.db2.gz SEERQRDALZLURE-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(CNc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000821821710 606946889 /nfs/dbraw/zinc/94/68/89/606946889.db2.gz SEERQRDALZLURE-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CCCC1(CNC(=O)c2cc(-c3nnn[n-]3)cs2)CCC1 ZINC000821035021 606958185 /nfs/dbraw/zinc/95/81/85/606958185.db2.gz YWACAHSARYBPJV-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM CCCC1(CNC(=O)c2cc(-c3nn[n-]n3)cs2)CCC1 ZINC000821035021 606958188 /nfs/dbraw/zinc/95/81/88/606958188.db2.gz YWACAHSARYBPJV-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM CC(C)[C@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820016653 606964070 /nfs/dbraw/zinc/96/40/70/606964070.db2.gz NQCIHKSVUWROOB-VIFPVBQESA-N -1 3 307.785 2.775 20 0 DFADHM CC(C)[C@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820016653 606964071 /nfs/dbraw/zinc/96/40/71/606964071.db2.gz NQCIHKSVUWROOB-VIFPVBQESA-N -1 3 307.785 2.775 20 0 DFADHM CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000821611091 606966030 /nfs/dbraw/zinc/96/60/30/606966030.db2.gz QGYPZJFGRDAPLO-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM CN(Cc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000821611091 606966032 /nfs/dbraw/zinc/96/60/32/606966032.db2.gz QGYPZJFGRDAPLO-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM 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306.782 2.546 20 0 DFADHM CC(C)c1nc(CSc2cccc(-c3nnn[n-]3)c2)no1 ZINC000820202405 607014254 /nfs/dbraw/zinc/01/42/54/607014254.db2.gz HQKYOXMDYCLXAB-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CC(C)c1nc(CSc2cccc(-c3nn[n-]n3)c2)no1 ZINC000820202405 607014256 /nfs/dbraw/zinc/01/42/56/607014256.db2.gz HQKYOXMDYCLXAB-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CCC(CC)NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000820897684 607015008 /nfs/dbraw/zinc/01/50/08/607015008.db2.gz LMWJDGYZDFCTSJ-JTQLQIEISA-N -1 3 319.434 2.652 20 0 DFADHM CCC(CC)NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000820897684 607015010 /nfs/dbraw/zinc/01/50/10/607015010.db2.gz LMWJDGYZDFCTSJ-JTQLQIEISA-N -1 3 319.434 2.652 20 0 DFADHM Cc1cn(Cc2cc(F)cc3cccnc32)cc1-c1nnn[n-]1 ZINC000822384359 607021781 /nfs/dbraw/zinc/02/17/81/607021781.db2.gz KMZDGDLJBVYLAC-UHFFFAOYSA-N -1 3 308.320 2.712 20 0 DFADHM Cc1cn(Cc2cc(F)cc3cccnc32)cc1-c1nn[n-]n1 ZINC000822384359 607021783 /nfs/dbraw/zinc/02/17/83/607021783.db2.gz KMZDGDLJBVYLAC-UHFFFAOYSA-N -1 3 308.320 2.712 20 0 DFADHM Fc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822779622 607033580 /nfs/dbraw/zinc/03/35/80/607033580.db2.gz YVICLPICUOZBCO-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccc(Cl)nc1 ZINC000822221137 607041413 /nfs/dbraw/zinc/04/14/13/607041413.db2.gz BZEYBDZBSPILKD-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1ccc(Cl)nc1 ZINC000822221137 607041415 /nfs/dbraw/zinc/04/14/15/607041415.db2.gz BZEYBDZBSPILKD-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM CC(C)C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820067127 607051768 /nfs/dbraw/zinc/05/17/68/607051768.db2.gz DFBRFGIAXUZCFZ-ZDUSSCGKSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820067127 607051769 /nfs/dbraw/zinc/05/17/69/607051769.db2.gz DFBRFGIAXUZCFZ-ZDUSSCGKSA-N -1 3 313.405 2.765 20 0 DFADHM Cc1ccccc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822345943 607074148 /nfs/dbraw/zinc/07/41/48/607074148.db2.gz XBKRRZJVMAMBGF-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccccc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822345943 607074149 /nfs/dbraw/zinc/07/41/49/607074149.db2.gz XBKRRZJVMAMBGF-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OC1CCCC1 ZINC000820001545 607080289 /nfs/dbraw/zinc/08/02/89/607080289.db2.gz RTDMXAJPAKRSAS-UHFFFAOYSA-N -1 3 316.361 2.510 20 0 DFADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OC1CCCC1 ZINC000820001545 607080291 /nfs/dbraw/zinc/08/02/91/607080291.db2.gz RTDMXAJPAKRSAS-UHFFFAOYSA-N -1 3 316.361 2.510 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820683894 607089106 /nfs/dbraw/zinc/08/91/06/607089106.db2.gz JBFOZYJHHJGFPF-MNOVXSKESA-N -1 3 317.368 2.795 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820683894 607089108 /nfs/dbraw/zinc/08/91/08/607089108.db2.gz JBFOZYJHHJGFPF-MNOVXSKESA-N -1 3 317.368 2.795 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820683531 607089837 /nfs/dbraw/zinc/08/98/37/607089837.db2.gz CKMOCZDFNLVASA-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820683531 607089839 /nfs/dbraw/zinc/08/98/39/607089839.db2.gz CKMOCZDFNLVASA-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820683636 607090379 /nfs/dbraw/zinc/09/03/79/607090379.db2.gz FDEAXDYJCYRZCN-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820683636 607090380 /nfs/dbraw/zinc/09/03/80/607090380.db2.gz FDEAXDYJCYRZCN-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820684788 607090429 /nfs/dbraw/zinc/09/04/29/607090429.db2.gz SDSVDDHCYWSCDF-YPMHNXCESA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820684788 607090432 /nfs/dbraw/zinc/09/04/32/607090432.db2.gz SDSVDDHCYWSCDF-YPMHNXCESA-N -1 3 300.362 2.736 20 0 DFADHM CCC(=CC(=O)OCCOc1ccccc1-c1nnn[n-]1)CC ZINC000820832660 607091447 /nfs/dbraw/zinc/09/14/47/607091447.db2.gz MNGUKNSXSZXKLB-UHFFFAOYSA-N -1 3 316.361 2.535 20 0 DFADHM CCC(=CC(=O)OCCOc1ccccc1-c1nn[n-]n1)CC ZINC000820832660 607091450 /nfs/dbraw/zinc/09/14/50/607091450.db2.gz MNGUKNSXSZXKLB-UHFFFAOYSA-N -1 3 316.361 2.535 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccco1 ZINC000821293380 607101496 /nfs/dbraw/zinc/10/14/96/607101496.db2.gz KYQMHWKSWYEYRZ-SOFGYWHQSA-N -1 3 324.344 2.543 20 0 DFADHM CC(C)CCC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820072873 607117079 /nfs/dbraw/zinc/11/70/79/607117079.db2.gz MHVCIKRDTIXGIH-UHFFFAOYSA-N -1 3 300.410 2.914 20 0 DFADHM CC(C)CCC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820072873 607117080 /nfs/dbraw/zinc/11/70/80/607117080.db2.gz MHVCIKRDTIXGIH-UHFFFAOYSA-N -1 3 300.410 2.914 20 0 DFADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC3CC=CC3)c2c1 ZINC000822195406 607119265 /nfs/dbraw/zinc/11/92/65/607119265.db2.gz QXVXXVHNKPMSTG-UHFFFAOYSA-N -1 3 306.373 2.584 20 0 DFADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NC3CC=CC3)c2c1 ZINC000822195406 607119267 /nfs/dbraw/zinc/11/92/67/607119267.db2.gz QXVXXVHNKPMSTG-UHFFFAOYSA-N -1 3 306.373 2.584 20 0 DFADHM Cc1cc(OCCOc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822211822 607132913 /nfs/dbraw/zinc/13/29/13/607132913.db2.gz PQZZIJNSTZWVRV-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCC(F)(F)C1 ZINC000823359156 607141647 /nfs/dbraw/zinc/14/16/47/607141647.db2.gz JHQNJAFUEAGPNG-LLVKDONJSA-N -1 3 322.319 2.566 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCC(F)(F)C1 ZINC000823359156 607141650 /nfs/dbraw/zinc/14/16/50/607141650.db2.gz JHQNJAFUEAGPNG-LLVKDONJSA-N -1 3 322.319 2.566 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCC(F)(F)C1 ZINC000823308596 607141912 /nfs/dbraw/zinc/14/19/12/607141912.db2.gz GNMPOOBGDPDCOY-NSHDSACASA-N -1 3 322.319 2.566 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCC(F)(F)C1 ZINC000823308596 607141914 /nfs/dbraw/zinc/14/19/14/607141914.db2.gz GNMPOOBGDPDCOY-NSHDSACASA-N -1 3 322.319 2.566 20 0 DFADHM Cc1ccc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)cn1 ZINC000822239762 607142380 /nfs/dbraw/zinc/14/23/80/607142380.db2.gz CQZZZYATESLVIA-UHFFFAOYSA-N -1 3 312.402 2.874 20 0 DFADHM Cc1ccc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)cn1 ZINC000822239762 607142382 /nfs/dbraw/zinc/14/23/82/607142382.db2.gz CQZZZYATESLVIA-UHFFFAOYSA-N -1 3 312.402 2.874 20 0 DFADHM Cc1sc(NC(=O)[C@@H]2CC23CCC3)c(-c2nnn[n-]2)c1C ZINC000822559220 607142776 /nfs/dbraw/zinc/14/27/76/607142776.db2.gz YOCUEZUMVCQVAK-VIFPVBQESA-N -1 3 303.391 2.674 20 0 DFADHM Cc1sc(NC(=O)[C@@H]2CC23CCC3)c(-c2nn[n-]n2)c1C ZINC000822559220 607142778 /nfs/dbraw/zinc/14/27/78/607142778.db2.gz YOCUEZUMVCQVAK-VIFPVBQESA-N -1 3 303.391 2.674 20 0 DFADHM Cn1ccnc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822699007 607143150 /nfs/dbraw/zinc/14/31/50/607143150.db2.gz LFJARHURHFSFOL-UHFFFAOYSA-N -1 3 306.782 2.546 20 0 DFADHM Cn1ccnc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822699007 607143151 /nfs/dbraw/zinc/14/31/51/607143151.db2.gz LFJARHURHFSFOL-UHFFFAOYSA-N -1 3 306.782 2.546 20 0 DFADHM CC(C)(C)c1cnc(COc2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC000819965417 607158604 /nfs/dbraw/zinc/15/86/04/607158604.db2.gz GAROVGJZEHDCLU-UHFFFAOYSA-N -1 3 317.324 2.870 20 0 DFADHM CC(C)(C)c1cnc(COc2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC000819965417 607158606 /nfs/dbraw/zinc/15/86/06/607158606.db2.gz GAROVGJZEHDCLU-UHFFFAOYSA-N -1 3 317.324 2.870 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821016381 607164579 /nfs/dbraw/zinc/16/45/79/607164579.db2.gz VLMYLKHMMLXAJV-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821016381 607164580 /nfs/dbraw/zinc/16/45/80/607164580.db2.gz VLMYLKHMMLXAJV-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM Fc1cc(OCc2cnc(Cl)s2)ccc1-c1nnn[n-]1 ZINC000822753265 607169083 /nfs/dbraw/zinc/16/90/83/607169083.db2.gz KZQOKMVELMKXLG-UHFFFAOYSA-N -1 3 311.729 2.695 20 0 DFADHM Fc1cc(OCc2cnc(Cl)s2)ccc1-c1nn[n-]n1 ZINC000822753265 607169084 /nfs/dbraw/zinc/16/90/84/607169084.db2.gz KZQOKMVELMKXLG-UHFFFAOYSA-N -1 3 311.729 2.695 20 0 DFADHM COCCC1(CNc2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000821687127 607175421 /nfs/dbraw/zinc/17/54/21/607175421.db2.gz PLYIHUHHQMKQKG-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM COCCC1(CNc2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000821687127 607175422 /nfs/dbraw/zinc/17/54/22/607175422.db2.gz PLYIHUHHQMKQKG-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2ccc(Cl)cc2)n1 ZINC000822215204 607226650 /nfs/dbraw/zinc/22/66/50/607226650.db2.gz QFYCKJDDKAMAPO-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2ccc(Cl)cc2)n1 ZINC000822215204 607226651 /nfs/dbraw/zinc/22/66/51/607226651.db2.gz QFYCKJDDKAMAPO-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM O=C1c2ccccc2C[C@@H]1Sc1cccc(-c2nnn[n-]2)c1 ZINC000823551166 607234569 /nfs/dbraw/zinc/23/45/69/607234569.db2.gz HUOQYQIDNNRDQS-AWEZNQCLSA-N -1 3 308.366 2.766 20 0 DFADHM O=C1c2ccccc2C[C@@H]1Sc1cccc(-c2nn[n-]n2)c1 ZINC000823551166 607234570 /nfs/dbraw/zinc/23/45/70/607234570.db2.gz HUOQYQIDNNRDQS-AWEZNQCLSA-N -1 3 308.366 2.766 20 0 DFADHM Cc1ccc(C)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822230844 607246360 /nfs/dbraw/zinc/24/63/60/607246360.db2.gz RWTBNNVELSMFFY-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Cc1ccc(C)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822230844 607246361 /nfs/dbraw/zinc/24/63/61/607246361.db2.gz RWTBNNVELSMFFY-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc2ccccc2o1 ZINC000823451142 607250228 /nfs/dbraw/zinc/25/02/28/607250228.db2.gz VSQSVEJRLHDZQN-UHFFFAOYSA-N -1 3 324.271 2.971 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccccc2o1 ZINC000823451142 607250229 /nfs/dbraw/zinc/25/02/29/607250229.db2.gz VSQSVEJRLHDZQN-UHFFFAOYSA-N -1 3 324.271 2.971 20 0 DFADHM CCS[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000821449755 607250267 /nfs/dbraw/zinc/25/02/67/607250267.db2.gz XGIZRJVCPSZRQA-LBPRGKRZSA-N -1 3 324.381 2.689 20 0 DFADHM CCS[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000821449755 607250268 /nfs/dbraw/zinc/25/02/68/607250268.db2.gz XGIZRJVCPSZRQA-LBPRGKRZSA-N -1 3 324.381 2.689 20 0 DFADHM O=C(Nc1cccc2ccsc21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457046 607776947 /nfs/dbraw/zinc/77/69/47/607776947.db2.gz JVDCVUTVTRQVFV-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(Nc1cccc2ccsc21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457046 607776948 /nfs/dbraw/zinc/77/69/48/607776948.db2.gz JVDCVUTVTRQVFV-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM Cc1cn(Cc2nc(C(F)(F)F)cs2)cc1-c1nnn[n-]1 ZINC000826317273 607784235 /nfs/dbraw/zinc/78/42/35/607784235.db2.gz VPYJVBZIKTXHOO-UHFFFAOYSA-N -1 3 314.296 2.500 20 0 DFADHM Cc1cn(Cc2nc(C(F)(F)F)cs2)cc1-c1nn[n-]n1 ZINC000826317273 607784236 /nfs/dbraw/zinc/78/42/36/607784236.db2.gz VPYJVBZIKTXHOO-UHFFFAOYSA-N -1 3 314.296 2.500 20 0 DFADHM CCc1ccccc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825723125 607788099 /nfs/dbraw/zinc/78/80/99/607788099.db2.gz RUEQOXVKCWTRNV-UHFFFAOYSA-N -1 3 307.357 2.706 20 0 DFADHM CCc1ccccc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825723125 607788100 /nfs/dbraw/zinc/78/81/00/607788100.db2.gz RUEQOXVKCWTRNV-UHFFFAOYSA-N -1 3 307.357 2.706 20 0 DFADHM C[C@H](OC(=O)C(C1CC1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824707498 607800339 /nfs/dbraw/zinc/80/03/39/607800339.db2.gz RLWKQQSNGGBEQC-JTQLQIEISA-N -1 3 312.373 2.907 20 0 DFADHM C[C@H](OC(=O)C(C1CC1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824707498 607800340 /nfs/dbraw/zinc/80/03/40/607800340.db2.gz RLWKQQSNGGBEQC-JTQLQIEISA-N -1 3 312.373 2.907 20 0 DFADHM CC(C)C1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824226289 607803041 /nfs/dbraw/zinc/80/30/41/607803041.db2.gz XMIBXMYFPQZSGM-UHFFFAOYSA-N -1 3 320.784 2.640 20 0 DFADHM CC(C)C1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824226289 607803042 /nfs/dbraw/zinc/80/30/42/607803042.db2.gz XMIBXMYFPQZSGM-UHFFFAOYSA-N -1 3 320.784 2.640 20 0 DFADHM c1ccc(C2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000826520414 607820557 /nfs/dbraw/zinc/82/05/57/607820557.db2.gz IOMGWCAVZRHKQX-UHFFFAOYSA-N -1 3 306.373 2.646 20 0 DFADHM Cc1ccc(CC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826286551 607831134 /nfs/dbraw/zinc/83/11/34/607831134.db2.gz HAHXHIXXNZVGJZ-LLVKDONJSA-N -1 3 312.329 2.615 20 0 DFADHM Cc1ccc(CC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826286551 607831135 /nfs/dbraw/zinc/83/11/35/607831135.db2.gz HAHXHIXXNZVGJZ-LLVKDONJSA-N -1 3 312.329 2.615 20 0 DFADHM CCCOc1ccc(OCCn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000825342197 607891501 /nfs/dbraw/zinc/89/15/01/607891501.db2.gz QTDGDBRIFPDAQK-UHFFFAOYSA-N -1 3 313.361 2.536 20 0 DFADHM CCCOc1ccc(OCCn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000825342197 607891502 /nfs/dbraw/zinc/89/15/02/607891502.db2.gz QTDGDBRIFPDAQK-UHFFFAOYSA-N -1 3 313.361 2.536 20 0 DFADHM Fc1ccc(Br)cc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826373528 607892520 /nfs/dbraw/zinc/89/25/20/607892520.db2.gz PQBAKZXONFHADS-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM Fc1ccc(Br)cc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826373528 607892521 /nfs/dbraw/zinc/89/25/21/607892521.db2.gz PQBAKZXONFHADS-UHFFFAOYSA-N -1 3 322.141 2.618 20 0 DFADHM CCc1nc([C@H](C)NCc2ccccc2-c2nn[n-]n2)cs1 ZINC000825746087 607909323 /nfs/dbraw/zinc/90/93/23/607909323.db2.gz RJLZQCNLNSRIKC-JTQLQIEISA-N -1 3 314.418 2.736 20 0 DFADHM CC1=C(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCCO1 ZINC000824852046 607923207 /nfs/dbraw/zinc/92/32/07/607923207.db2.gz HSSVDWUMUHPIFF-JTQLQIEISA-N -1 3 314.345 2.555 20 0 DFADHM CC1=C(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCCO1 ZINC000824852046 607923208 /nfs/dbraw/zinc/92/32/08/607923208.db2.gz HSSVDWUMUHPIFF-JTQLQIEISA-N -1 3 314.345 2.555 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824906179 607954684 /nfs/dbraw/zinc/95/46/84/607954684.db2.gz AXCGSJIBTCBPOQ-RYUDHWBXSA-N -1 3 311.389 2.582 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824906179 607954685 /nfs/dbraw/zinc/95/46/85/607954685.db2.gz AXCGSJIBTCBPOQ-RYUDHWBXSA-N -1 3 311.389 2.582 20 0 DFADHM Cc1ccc(F)c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826289166 607954913 /nfs/dbraw/zinc/95/49/13/607954913.db2.gz NBLDCDLXJHIJEI-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM Cc1ccc(F)c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826289166 607954914 /nfs/dbraw/zinc/95/49/14/607954914.db2.gz NBLDCDLXJHIJEI-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM COc1cccc(NC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000826216998 607965673 /nfs/dbraw/zinc/96/56/73/607965673.db2.gz VMPKXTJRUKTTSD-UHFFFAOYSA-N -1 3 316.346 2.581 20 0 DFADHM COc1cccc(NC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000826216998 607965674 /nfs/dbraw/zinc/96/56/74/607965674.db2.gz VMPKXTJRUKTTSD-UHFFFAOYSA-N -1 3 316.346 2.581 20 0 DFADHM COc1ccc(-c2nc3c(cccc3F)[nH]2)cc1-c1nnn[n-]1 ZINC000826181694 607974075 /nfs/dbraw/zinc/97/40/75/607974075.db2.gz KLRGYZDIGYUHSH-UHFFFAOYSA-N -1 3 310.292 2.558 20 0 DFADHM COc1ccc(-c2nc3c(cccc3F)[nH]2)cc1-c1nn[n-]n1 ZINC000826181694 607974076 /nfs/dbraw/zinc/97/40/76/607974076.db2.gz KLRGYZDIGYUHSH-UHFFFAOYSA-N -1 3 310.292 2.558 20 0 DFADHM COc1ccc(CSCCCSC)cc1-c1nnn[n-]1 ZINC000826208195 607984423 /nfs/dbraw/zinc/98/44/23/607984423.db2.gz XVPBDYFRVVXHGV-UHFFFAOYSA-N -1 3 310.448 2.862 20 0 DFADHM COc1ccc(CSCCCSC)cc1-c1nn[n-]n1 ZINC000826208195 607984424 /nfs/dbraw/zinc/98/44/24/607984424.db2.gz XVPBDYFRVVXHGV-UHFFFAOYSA-N -1 3 310.448 2.862 20 0 DFADHM CC1(C)CCC(CNC(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824795809 608008320 /nfs/dbraw/zinc/00/83/20/608008320.db2.gz FTDHOCNFEFTYLW-UHFFFAOYSA-N -1 3 319.434 2.874 20 0 DFADHM CC1(C)CCC(CNC(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000824795809 608008321 /nfs/dbraw/zinc/00/83/21/608008321.db2.gz FTDHOCNFEFTYLW-UHFFFAOYSA-N -1 3 319.434 2.874 20 0 DFADHM Cc1cnc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826318380 608032857 /nfs/dbraw/zinc/03/28/57/608032857.db2.gz GQVRJTGGEXEHSB-UHFFFAOYSA-N -1 3 323.404 2.628 20 0 DFADHM Fc1ccc(CN(CC(F)(F)F)C2CC2)c(-c2nnn[n-]2)c1 ZINC000826374198 608038499 /nfs/dbraw/zinc/03/84/99/608038499.db2.gz PMTHNPMYXQTELP-UHFFFAOYSA-N -1 3 315.274 2.533 20 0 DFADHM Fc1ccc(CN(CC(F)(F)F)C2CC2)c(-c2nn[n-]n2)c1 ZINC000826374198 608038500 /nfs/dbraw/zinc/03/85/00/608038500.db2.gz PMTHNPMYXQTELP-UHFFFAOYSA-N -1 3 315.274 2.533 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825095433 608053039 /nfs/dbraw/zinc/05/30/39/608053039.db2.gz GJOKOUXBWFKLQU-LLVKDONJSA-N -1 3 301.394 2.555 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825095433 608053040 /nfs/dbraw/zinc/05/30/40/608053040.db2.gz GJOKOUXBWFKLQU-LLVKDONJSA-N -1 3 301.394 2.555 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000825095552 608059603 /nfs/dbraw/zinc/05/96/03/608059603.db2.gz IRUGIGBHWMEIMF-LLVKDONJSA-N -1 3 302.378 2.982 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000825095552 608059604 /nfs/dbraw/zinc/05/96/04/608059604.db2.gz IRUGIGBHWMEIMF-LLVKDONJSA-N -1 3 302.378 2.982 20 0 DFADHM CCC(CC)[C@H](C)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825095870 608072123 /nfs/dbraw/zinc/07/21/23/608072123.db2.gz JNSCWLMELFXYAB-NSHDSACASA-N -1 3 313.405 2.828 20 0 DFADHM CCC(CC)[C@H](C)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825095870 608072124 /nfs/dbraw/zinc/07/21/24/608072124.db2.gz JNSCWLMELFXYAB-NSHDSACASA-N -1 3 313.405 2.828 20 0 DFADHM C[C@@H](c1ccncc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000824771502 608085461 /nfs/dbraw/zinc/08/54/61/608085461.db2.gz QQEIEOPDWSDZEZ-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM C[C@@H](c1ccncc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000824771502 608085460 /nfs/dbraw/zinc/08/54/60/608085460.db2.gz QQEIEOPDWSDZEZ-NSHDSACASA-N -1 3 312.352 2.594 20 0 DFADHM CCC[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825224964 608157479 /nfs/dbraw/zinc/15/74/79/608157479.db2.gz IFVLKXSMLZRWOK-AWEZNQCLSA-N -1 3 301.394 2.902 20 0 DFADHM CCC[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825224964 608157481 /nfs/dbraw/zinc/15/74/81/608157481.db2.gz IFVLKXSMLZRWOK-AWEZNQCLSA-N -1 3 301.394 2.902 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CC12CCCCC2 ZINC000826401950 608165280 /nfs/dbraw/zinc/16/52/80/608165280.db2.gz JZGUOZAOCRCPJJ-CDNLZTBQSA-N -1 3 323.400 2.719 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CC12CCCCC2 ZINC000826401950 608165281 /nfs/dbraw/zinc/16/52/81/608165281.db2.gz JZGUOZAOCRCPJJ-CDNLZTBQSA-N -1 3 323.400 2.719 20 0 DFADHM CCc1noc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000825776013 608205876 /nfs/dbraw/zinc/20/58/76/608205876.db2.gz CLPKIHIHYVCLBE-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM CCc1noc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000825776013 608205877 /nfs/dbraw/zinc/20/58/77/608205877.db2.gz CLPKIHIHYVCLBE-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM Cc1ccnc(Cl)c1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826308471 608206505 /nfs/dbraw/zinc/20/65/05/608206505.db2.gz AUULKQHIKYTBCC-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1ccnc(Cl)c1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826308471 608206506 /nfs/dbraw/zinc/20/65/06/608206506.db2.gz AUULKQHIKYTBCC-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cn1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826363311 608218793 /nfs/dbraw/zinc/21/87/93/608218793.db2.gz GXDRXAMSMSVZAA-UHFFFAOYSA-N -1 3 306.782 2.546 20 0 DFADHM Cn1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826363311 608218794 /nfs/dbraw/zinc/21/87/94/608218794.db2.gz GXDRXAMSMSVZAA-UHFFFAOYSA-N -1 3 306.782 2.546 20 0 DFADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)C1CCOCC1 ZINC000824657957 608233284 /nfs/dbraw/zinc/23/32/84/608233284.db2.gz SXSBBXBCYUPORU-LLVKDONJSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)C1CCOCC1 ZINC000824657957 608233286 /nfs/dbraw/zinc/23/32/86/608233286.db2.gz SXSBBXBCYUPORU-LLVKDONJSA-N -1 3 324.388 2.642 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2ccccc2-c2nnn[n-]2)c1F ZINC000826288932 608262868 /nfs/dbraw/zinc/26/28/68/608262868.db2.gz CHDZBTXWKYLTAF-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2ccccc2-c2nn[n-]n2)c1F ZINC000826288932 608262869 /nfs/dbraw/zinc/26/28/69/608262869.db2.gz CHDZBTXWKYLTAF-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000826457313 608263191 /nfs/dbraw/zinc/26/31/91/608263191.db2.gz VVKYDRCSWIQDKQ-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000826457313 608263192 /nfs/dbraw/zinc/26/31/92/608263192.db2.gz VVKYDRCSWIQDKQ-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(Cl)s2)n1 ZINC000826276722 608273086 /nfs/dbraw/zinc/27/30/86/608273086.db2.gz TVLVUZZSHJWVAI-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(Cl)s2)n1 ZINC000826276722 608273088 /nfs/dbraw/zinc/27/30/88/608273088.db2.gz TVLVUZZSHJWVAI-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](c3ccccc3F)C2)n1 ZINC000826274160 608284713 /nfs/dbraw/zinc/28/47/13/608284713.db2.gz IMXPZRQSUWPNQL-LBPRGKRZSA-N -1 3 324.363 2.703 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](c3ccccc3F)C2)n1 ZINC000826274160 608284715 /nfs/dbraw/zinc/28/47/15/608284715.db2.gz IMXPZRQSUWPNQL-LBPRGKRZSA-N -1 3 324.363 2.703 20 0 DFADHM Cc1ccsc1CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826316085 608294579 /nfs/dbraw/zinc/29/45/79/608294579.db2.gz CNSUVRHFXAXPRT-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1ccsc1CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826316085 608294578 /nfs/dbraw/zinc/29/45/78/608294578.db2.gz CNSUVRHFXAXPRT-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](CC(C)C)C2)n1 ZINC000826274620 608297310 /nfs/dbraw/zinc/29/73/10/608297310.db2.gz XLJFTCYEALKFEZ-ZDUSSCGKSA-N -1 3 300.410 2.833 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](CC(C)C)C2)n1 ZINC000826274620 608297312 /nfs/dbraw/zinc/29/73/12/608297312.db2.gz XLJFTCYEALKFEZ-ZDUSSCGKSA-N -1 3 300.410 2.833 20 0 DFADHM Cc1nnc(CSCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000826336168 608300307 /nfs/dbraw/zinc/30/03/07/608300307.db2.gz QAFPWTXZQSWVEN-UHFFFAOYSA-N -1 3 322.394 2.599 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC[C@@H]1C ZINC000824947072 608306520 /nfs/dbraw/zinc/30/65/20/608306520.db2.gz MGTRYBNEJPILPV-UWVGGRQHSA-N -1 3 318.356 2.516 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC[C@@H]1C ZINC000824947072 608306522 /nfs/dbraw/zinc/30/65/22/608306522.db2.gz MGTRYBNEJPILPV-UWVGGRQHSA-N -1 3 318.356 2.516 20 0 DFADHM CC(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824185414 608328992 /nfs/dbraw/zinc/32/89/92/608328992.db2.gz YXKXKUCFVZJJIO-UHFFFAOYSA-N -1 3 321.384 2.806 20 0 DFADHM CC(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824185414 608328993 /nfs/dbraw/zinc/32/89/93/608328993.db2.gz YXKXKUCFVZJJIO-UHFFFAOYSA-N -1 3 321.384 2.806 20 0 DFADHM Cc1scc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826350248 608332287 /nfs/dbraw/zinc/33/22/87/608332287.db2.gz NQBBAMUBQCIEEY-UHFFFAOYSA-N -1 3 300.343 2.764 20 0 DFADHM Cc1scc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826350248 608332289 /nfs/dbraw/zinc/33/22/89/608332289.db2.gz NQBBAMUBQCIEEY-UHFFFAOYSA-N -1 3 300.343 2.764 20 0 DFADHM Cc1cc(C)c(CC(=O)Nc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000826263332 608339789 /nfs/dbraw/zinc/33/97/89/608339789.db2.gz WGEBNGJAYSIXSA-UHFFFAOYSA-N -1 3 321.384 2.973 20 0 DFADHM Cc1cc(C)c(CC(=O)Nc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000826263332 608339791 /nfs/dbraw/zinc/33/97/91/608339791.db2.gz WGEBNGJAYSIXSA-UHFFFAOYSA-N -1 3 321.384 2.973 20 0 DFADHM CS[C@H](C)CCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826225929 608340756 /nfs/dbraw/zinc/34/07/56/608340756.db2.gz NSAJBAQEYBLLPE-SECBINFHSA-N -1 3 323.397 2.500 20 0 DFADHM CS[C@H](C)CCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826225929 608340753 /nfs/dbraw/zinc/34/07/53/608340753.db2.gz NSAJBAQEYBLLPE-SECBINFHSA-N -1 3 323.397 2.500 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)C(C)(C)C ZINC000826170670 608359421 /nfs/dbraw/zinc/35/94/21/608359421.db2.gz KNTXOWLDVZMJMM-JTQLQIEISA-N -1 3 318.377 2.601 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)C(C)(C)C ZINC000826170670 608359422 /nfs/dbraw/zinc/35/94/22/608359422.db2.gz KNTXOWLDVZMJMM-JTQLQIEISA-N -1 3 318.377 2.601 20 0 DFADHM OCc1ccccc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000826510601 608371873 /nfs/dbraw/zinc/37/18/73/608371873.db2.gz AAUGRALGLJSWML-UHFFFAOYSA-N -1 3 315.764 2.625 20 0 DFADHM OCc1ccccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000826510601 608371875 /nfs/dbraw/zinc/37/18/75/608371875.db2.gz AAUGRALGLJSWML-UHFFFAOYSA-N -1 3 315.764 2.625 20 0 DFADHM Fc1cccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826376675 608371878 /nfs/dbraw/zinc/37/18/78/608371878.db2.gz NPQCIHSVLNDDFX-OAHLLOKOSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1cccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826376675 608371881 /nfs/dbraw/zinc/37/18/81/608371881.db2.gz NPQCIHSVLNDDFX-OAHLLOKOSA-N -1 3 310.336 2.742 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CCc3c2cccc3O)n1 ZINC000826262262 608381440 /nfs/dbraw/zinc/38/14/40/608381440.db2.gz JPXSAQQUEGSJPY-CYBMUJFWSA-N -1 3 322.372 2.684 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2CCc3c2cccc3O)n1 ZINC000826262262 608381441 /nfs/dbraw/zinc/38/14/41/608381441.db2.gz JPXSAQQUEGSJPY-CYBMUJFWSA-N -1 3 322.372 2.684 20 0 DFADHM CCOC(=O)[C@H](CC)SCc1cccc(-c2nnn[n-]2)c1F ZINC000825485233 608399384 /nfs/dbraw/zinc/39/93/84/608399384.db2.gz FUCJTTAZLLSHKY-NSHDSACASA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)[C@H](CC)SCc1cccc(-c2nn[n-]n2)c1F ZINC000825485233 608399386 /nfs/dbraw/zinc/39/93/86/608399386.db2.gz FUCJTTAZLLSHKY-NSHDSACASA-N -1 3 324.381 2.581 20 0 DFADHM Cc1cc(CSCc2cccc(-c3nnn[n-]3)c2F)on1 ZINC000826267782 608404358 /nfs/dbraw/zinc/40/43/58/608404358.db2.gz WPOCSGVJYGGKNB-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM Cc1cc(CSCc2cccc(-c3nn[n-]n3)c2F)on1 ZINC000826267782 608404360 /nfs/dbraw/zinc/40/43/60/608404360.db2.gz WPOCSGVJYGGKNB-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM Cc1noc([C@@H](C)SCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000826338301 608404696 /nfs/dbraw/zinc/40/46/96/608404696.db2.gz QMWIJZVKQSNDFU-SSDOTTSWSA-N -1 3 320.353 2.692 20 0 DFADHM Cc1noc([C@@H](C)SCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826338301 608404697 /nfs/dbraw/zinc/40/46/97/608404697.db2.gz QMWIJZVKQSNDFU-SSDOTTSWSA-N -1 3 320.353 2.692 20 0 DFADHM Fc1c(CSCCOCC2CC2)cccc1-c1nnn[n-]1 ZINC000826370644 608404962 /nfs/dbraw/zinc/40/49/62/608404962.db2.gz BTYNCPZXOCLUAT-UHFFFAOYSA-N -1 3 308.382 2.666 20 0 DFADHM Fc1c(CSCCOCC2CC2)cccc1-c1nn[n-]n1 ZINC000826370644 608404964 /nfs/dbraw/zinc/40/49/64/608404964.db2.gz BTYNCPZXOCLUAT-UHFFFAOYSA-N -1 3 308.382 2.666 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826145796 608417081 /nfs/dbraw/zinc/41/70/81/608417081.db2.gz MGSHMWCOVMNREQ-TVQRCGJNSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826145796 608417082 /nfs/dbraw/zinc/41/70/82/608417082.db2.gz MGSHMWCOVMNREQ-TVQRCGJNSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826145797 608417201 /nfs/dbraw/zinc/41/72/01/608417201.db2.gz MGSHMWCOVMNREQ-ZANVPECISA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826145797 608417203 /nfs/dbraw/zinc/41/72/03/608417203.db2.gz MGSHMWCOVMNREQ-ZANVPECISA-N -1 3 307.785 2.747 20 0 DFADHM Fc1c(CN2CCC[C@@H]2c2ccncc2)cccc1-c1nnn[n-]1 ZINC000826371098 608417901 /nfs/dbraw/zinc/41/79/01/608417901.db2.gz SICGIDRQDDGSKX-OAHLLOKOSA-N -1 3 324.363 2.738 20 0 DFADHM Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000826282184 608436659 /nfs/dbraw/zinc/43/66/59/608436659.db2.gz BVCHVLJDYRDXHC-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000826282184 608436661 /nfs/dbraw/zinc/43/66/61/608436661.db2.gz BVCHVLJDYRDXHC-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@H](C)O1 ZINC000824893500 608444573 /nfs/dbraw/zinc/44/45/73/608444573.db2.gz RHKCQNBKEQCTRC-ZSBIGDGJSA-N -1 3 324.388 2.783 20 0 DFADHM C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@H](C)O1 ZINC000824893500 608444575 /nfs/dbraw/zinc/44/45/75/608444575.db2.gz RHKCQNBKEQCTRC-ZSBIGDGJSA-N -1 3 324.388 2.783 20 0 DFADHM C[C@@H]1CC(Nc2c(Cl)cccc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824893856 608444637 /nfs/dbraw/zinc/44/46/37/608444637.db2.gz VSJYETDZPYWNKD-RKDXNWHRSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@@H]1CC(Nc2c(Cl)cccc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824893856 608444639 /nfs/dbraw/zinc/44/46/39/608444639.db2.gz VSJYETDZPYWNKD-RKDXNWHRSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1CC1 ZINC000824040952 608478319 /nfs/dbraw/zinc/47/83/19/608478319.db2.gz VQBGSBSCHIRXKY-LBPRGKRZSA-N -1 3 323.400 2.529 20 0 DFADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1CC1 ZINC000824040952 608478320 /nfs/dbraw/zinc/47/83/20/608478320.db2.gz VQBGSBSCHIRXKY-LBPRGKRZSA-N -1 3 323.400 2.529 20 0 DFADHM C[C@H](NCc1noc2c1CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000824634701 608488906 /nfs/dbraw/zinc/48/89/06/608488906.db2.gz XIQGUZCLEBQRQT-NSHDSACASA-N -1 3 324.388 2.584 20 0 DFADHM COc1ccccc1CN(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000826219986 608498846 /nfs/dbraw/zinc/49/88/46/608498846.db2.gz YEVWCTRUZVOFML-UHFFFAOYSA-N -1 3 315.402 2.569 20 0 DFADHM COc1ccccc1CN(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000826219986 608498848 /nfs/dbraw/zinc/49/88/48/608498848.db2.gz YEVWCTRUZVOFML-UHFFFAOYSA-N -1 3 315.402 2.569 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc2[nH]ccc2c1 ZINC000826172977 608499175 /nfs/dbraw/zinc/49/91/75/608499175.db2.gz GYEVJAYHKIBMPN-UHFFFAOYSA-N -1 3 321.340 2.936 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc2[nH]ccc2c1 ZINC000826172977 608499176 /nfs/dbraw/zinc/49/91/76/608499176.db2.gz GYEVJAYHKIBMPN-UHFFFAOYSA-N -1 3 321.340 2.936 20 0 DFADHM Cl/C=C(/Cl)CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826350077 608529289 /nfs/dbraw/zinc/52/92/89/608529289.db2.gz HJBFCZWIMYOEHI-YRNVUSSQSA-N -1 3 310.188 2.764 20 0 DFADHM Cl/C=C(/Cl)CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826350077 608529291 /nfs/dbraw/zinc/52/92/91/608529291.db2.gz HJBFCZWIMYOEHI-YRNVUSSQSA-N -1 3 310.188 2.764 20 0 DFADHM Fc1cccc([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826376768 608530757 /nfs/dbraw/zinc/53/07/57/608530757.db2.gz QVLKNFOYANERBA-CQSZACIVSA-N -1 3 313.336 2.936 20 0 DFADHM O=C(Nc1ccc2c(c1)COC2)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826456559 608544891 /nfs/dbraw/zinc/54/48/91/608544891.db2.gz LQGJKHZWOZIKTE-UHFFFAOYSA-N -1 3 322.328 2.541 20 0 DFADHM O=C(Nc1ccc2c(c1)COC2)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826456559 608544893 /nfs/dbraw/zinc/54/48/93/608544893.db2.gz LQGJKHZWOZIKTE-UHFFFAOYSA-N -1 3 322.328 2.541 20 0 DFADHM Clc1nn(Cc2cccc(-c3nnn[n-]3)c2)c2ccccc12 ZINC000826353907 608584177 /nfs/dbraw/zinc/58/41/77/608584177.db2.gz ISDSOIVINUSTEP-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM Clc1nn(Cc2cccc(-c3nn[n-]n3)c2)c2ccccc12 ZINC000826353907 608584178 /nfs/dbraw/zinc/58/41/78/608584178.db2.gz ISDSOIVINUSTEP-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1F ZINC000826250418 608591801 /nfs/dbraw/zinc/59/18/01/608591801.db2.gz AEFHBJYSOYLPRH-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1F ZINC000826250418 608591803 /nfs/dbraw/zinc/59/18/03/608591803.db2.gz AEFHBJYSOYLPRH-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CC1(C)CC[C@@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000824802020 608599270 /nfs/dbraw/zinc/59/92/70/608599270.db2.gz JVNIMEJZYFLBBT-SNVBAGLBSA-N -1 3 318.356 2.706 20 0 DFADHM CC1(C)CC[C@@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000824802020 608599272 /nfs/dbraw/zinc/59/92/72/608599272.db2.gz JVNIMEJZYFLBBT-SNVBAGLBSA-N -1 3 318.356 2.706 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@@H](C)[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000826242043 608608830 /nfs/dbraw/zinc/60/88/30/608608830.db2.gz XUBDSZLGWWEIIM-PWSUYJOCSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@@H](C)[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000826242043 608608831 /nfs/dbraw/zinc/60/88/31/608608831.db2.gz XUBDSZLGWWEIIM-PWSUYJOCSA-N -1 3 314.393 2.827 20 0 DFADHM CC(C)(F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824162321 608666650 /nfs/dbraw/zinc/66/66/50/608666650.db2.gz GANYEPZAWSBJIS-UHFFFAOYSA-N -1 3 317.246 2.572 20 0 DFADHM CC(C)(F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824162321 608666649 /nfs/dbraw/zinc/66/66/49/608666649.db2.gz GANYEPZAWSBJIS-UHFFFAOYSA-N -1 3 317.246 2.572 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCOC(=O)C(C)(C)C)n1 ZINC000826263205 608669623 /nfs/dbraw/zinc/66/96/23/608669623.db2.gz POYAKUHZWXRTBT-UHFFFAOYSA-N -1 3 321.406 2.517 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCOC(=O)C(C)(C)C)n1 ZINC000826263205 608669624 /nfs/dbraw/zinc/66/96/24/608669624.db2.gz POYAKUHZWXRTBT-UHFFFAOYSA-N -1 3 321.406 2.517 20 0 DFADHM Cc1ccccc1[C@H]1CCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000826306911 608779279 /nfs/dbraw/zinc/77/92/79/608779279.db2.gz PLGUEJVTNGVUAV-ZDUSSCGKSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccccc1[C@H]1CCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000826306911 608779284 /nfs/dbraw/zinc/77/92/84/608779284.db2.gz PLGUEJVTNGVUAV-ZDUSSCGKSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1cccc2[nH]cc(CCNc3cnccc3-c3nnn[n-]3)c21 ZINC000826304484 608779676 /nfs/dbraw/zinc/77/96/76/608779676.db2.gz MLFVVIULNRXZLZ-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1cccc2[nH]cc(CCNc3cnccc3-c3nn[n-]n3)c21 ZINC000826304484 608779677 /nfs/dbraw/zinc/77/96/77/608779677.db2.gz MLFVVIULNRXZLZ-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cnccc1-c1nnn[n-]1 ZINC000824899834 608786686 /nfs/dbraw/zinc/78/66/86/608786686.db2.gz PFYPBJQZIJHSRJ-AAEUAGOBSA-N -1 3 324.363 2.783 20 0 DFADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cnccc1-c1nn[n-]n1 ZINC000824899834 608786689 /nfs/dbraw/zinc/78/66/89/608786689.db2.gz PFYPBJQZIJHSRJ-AAEUAGOBSA-N -1 3 324.363 2.783 20 0 DFADHM Fc1ccc2[nH]cc(CCNc3cnccc3-c3nnn[n-]3)c2c1 ZINC000826375886 608787059 /nfs/dbraw/zinc/78/70/59/608787059.db2.gz GAFMVXCRLUXWKW-UHFFFAOYSA-N -1 3 323.335 2.537 20 0 DFADHM Fc1ccc2[nH]cc(CCNc3cnccc3-c3nn[n-]n3)c2c1 ZINC000826375886 608787061 /nfs/dbraw/zinc/78/70/61/608787061.db2.gz GAFMVXCRLUXWKW-UHFFFAOYSA-N -1 3 323.335 2.537 20 0 DFADHM CC(C)CCC1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000824243664 608791238 /nfs/dbraw/zinc/79/12/38/608791238.db2.gz LLONHBJDTCDODW-UHFFFAOYSA-N -1 3 300.410 2.914 20 0 DFADHM CC(C)CCC1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000824243664 608791239 /nfs/dbraw/zinc/79/12/39/608791239.db2.gz LLONHBJDTCDODW-UHFFFAOYSA-N -1 3 300.410 2.914 20 0 DFADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1cnccc1-c1nnn[n-]1 ZINC000826376354 608796860 /nfs/dbraw/zinc/79/68/60/608796860.db2.gz ZRLQPYWSMCZUHO-AWEZNQCLSA-N -1 3 310.336 2.890 20 0 DFADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1cnccc1-c1nn[n-]n1 ZINC000826376354 608796862 /nfs/dbraw/zinc/79/68/62/608796862.db2.gz ZRLQPYWSMCZUHO-AWEZNQCLSA-N -1 3 310.336 2.890 20 0 DFADHM CCCC[C@H](CCC)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825259742 609224114 /nfs/dbraw/zinc/22/41/14/609224114.db2.gz KSOUNHXMRSMQHM-NSHDSACASA-N -1 3 304.398 2.531 20 0 DFADHM CCCC[C@H](CCC)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825259742 609224115 /nfs/dbraw/zinc/22/41/15/609224115.db2.gz KSOUNHXMRSMQHM-NSHDSACASA-N -1 3 304.398 2.531 20 0 DFADHM CCCn1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC000825361605 609245120 /nfs/dbraw/zinc/24/51/20/609245120.db2.gz FXAMONGBFATCSZ-JTQLQIEISA-N -1 3 315.356 2.785 20 0 DFADHM CCCn1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC000825361605 609245122 /nfs/dbraw/zinc/24/51/22/609245122.db2.gz FXAMONGBFATCSZ-JTQLQIEISA-N -1 3 315.356 2.785 20 0 DFADHM CC[C@@H](C)CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825066939 609278672 /nfs/dbraw/zinc/27/86/72/609278672.db2.gz FVZXPPPWCMXSCZ-SNVBAGLBSA-N -1 3 315.356 2.650 20 0 DFADHM CCC(CC)CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825107589 609299472 /nfs/dbraw/zinc/29/94/72/609299472.db2.gz RCCGINQCSKSWGZ-UHFFFAOYSA-N -1 3 307.785 2.686 20 0 DFADHM CCC(CC)CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825107589 609299474 /nfs/dbraw/zinc/29/94/74/609299474.db2.gz RCCGINQCSKSWGZ-UHFFFAOYSA-N -1 3 307.785 2.686 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(Cl)cn1 ZINC000826176419 609305865 /nfs/dbraw/zinc/30/58/65/609305865.db2.gz ONHLJTLGVDPYQR-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(Cl)cn1 ZINC000826176419 609305866 /nfs/dbraw/zinc/30/58/66/609305866.db2.gz ONHLJTLGVDPYQR-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM Cc1nnc(SC[C@@H](C)C(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000826336595 609308321 /nfs/dbraw/zinc/30/83/21/609308321.db2.gz FIORDCFCJOODTA-RXMQYKEDSA-N -1 3 318.328 2.564 20 0 DFADHM Cc1nnc(SC[C@@H](C)C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000826336595 609308323 /nfs/dbraw/zinc/30/83/23/609308323.db2.gz FIORDCFCJOODTA-RXMQYKEDSA-N -1 3 318.328 2.564 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)COC2 ZINC000826278623 609311421 /nfs/dbraw/zinc/31/14/21/609311421.db2.gz LVTMPTXEFBDPKA-UHFFFAOYSA-N -1 3 307.357 2.817 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)COC2 ZINC000826278623 609311422 /nfs/dbraw/zinc/31/14/22/609311422.db2.gz LVTMPTXEFBDPKA-UHFFFAOYSA-N -1 3 307.357 2.817 20 0 DFADHM C[C@@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@@H]1F ZINC000824962121 609319248 /nfs/dbraw/zinc/31/92/48/609319248.db2.gz OMDWYVAUFARLAW-MFKMUULPSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@@H]1F ZINC000824962121 609319250 /nfs/dbraw/zinc/31/92/50/609319250.db2.gz OMDWYVAUFARLAW-MFKMUULPSA-N -1 3 312.352 2.599 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000825106506 609321533 /nfs/dbraw/zinc/32/15/33/609321533.db2.gz FDXOBGHXDGWKLC-DOMZBBRYSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000825106506 609321535 /nfs/dbraw/zinc/32/15/35/609321535.db2.gz FDXOBGHXDGWKLC-DOMZBBRYSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)CCO1 ZINC000825108279 609322461 /nfs/dbraw/zinc/32/24/61/609322461.db2.gz VBMHXPNCCRMAOZ-JSGCOSHPSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)CCO1 ZINC000825108279 609322463 /nfs/dbraw/zinc/32/24/63/609322463.db2.gz VBMHXPNCCRMAOZ-JSGCOSHPSA-N -1 3 316.409 2.657 20 0 DFADHM C[C@@H](NCc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824627291 609323494 /nfs/dbraw/zinc/32/34/94/609323494.db2.gz WDZLCXCQXHZWNI-SNVBAGLBSA-N -1 3 315.327 2.996 20 0 DFADHM C[C@@H](NCc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824627291 609323497 /nfs/dbraw/zinc/32/34/97/609323497.db2.gz WDZLCXCQXHZWNI-SNVBAGLBSA-N -1 3 315.327 2.996 20 0 DFADHM COCCC[C@H](C)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826155667 609326147 /nfs/dbraw/zinc/32/61/47/609326147.db2.gz XWIIQZSQHVZIFC-NWDGAFQWSA-N -1 3 318.377 2.534 20 0 DFADHM COCCC[C@H](C)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826155667 609326149 /nfs/dbraw/zinc/32/61/49/609326149.db2.gz XWIIQZSQHVZIFC-NWDGAFQWSA-N -1 3 318.377 2.534 20 0 DFADHM Cc1nc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000826326165 609328650 /nfs/dbraw/zinc/32/86/50/609328650.db2.gz DFHGEUZSHRHQNQ-QMMMGPOBSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1nc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000826326165 609328652 /nfs/dbraw/zinc/32/86/52/609328652.db2.gz DFHGEUZSHRHQNQ-QMMMGPOBSA-N -1 3 318.381 2.622 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000825958517 609373508 /nfs/dbraw/zinc/37/35/08/609373508.db2.gz ZANBBVZPVROKBA-CQSZACIVSA-N -1 3 313.405 2.651 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000825958517 609373510 /nfs/dbraw/zinc/37/35/10/609373510.db2.gz ZANBBVZPVROKBA-CQSZACIVSA-N -1 3 313.405 2.651 20 0 DFADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cncc(F)c1 ZINC000824670428 609386883 /nfs/dbraw/zinc/38/68/83/609386883.db2.gz OKGHIEXGEHAIOR-ZETCQYMHSA-N -1 3 319.731 2.622 20 0 DFADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cncc(F)c1 ZINC000824670428 609386885 /nfs/dbraw/zinc/38/68/85/609386885.db2.gz OKGHIEXGEHAIOR-ZETCQYMHSA-N -1 3 319.731 2.622 20 0 DFADHM CC1(C)CC[C@H](C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824796916 609394022 /nfs/dbraw/zinc/39/40/22/609394022.db2.gz USMPBNLWBPDERF-ZDUSSCGKSA-N -1 3 311.389 2.582 20 0 DFADHM CC1(C)CC[C@H](C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824796916 609394025 /nfs/dbraw/zinc/39/40/25/609394025.db2.gz USMPBNLWBPDERF-ZDUSSCGKSA-N -1 3 311.389 2.582 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000824014208 609422473 /nfs/dbraw/zinc/42/24/73/609422473.db2.gz DVELQRFAHWTHMC-ZIAGYGMSSA-N -1 3 311.389 2.696 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000824014208 609422475 /nfs/dbraw/zinc/42/24/75/609422475.db2.gz DVELQRFAHWTHMC-ZIAGYGMSSA-N -1 3 311.389 2.696 20 0 DFADHM CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000825376715 609427382 /nfs/dbraw/zinc/42/73/82/609427382.db2.gz MEMBLPXIEYHPDY-UHFFFAOYSA-N -1 3 316.752 2.515 20 0 DFADHM CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000825376715 609427384 /nfs/dbraw/zinc/42/73/84/609427384.db2.gz MEMBLPXIEYHPDY-UHFFFAOYSA-N -1 3 316.752 2.515 20 0 DFADHM C[C@@H](CNc1nc2ccccn2c1-c1nnn[n-]1)c1ccccc1 ZINC000824435112 609456444 /nfs/dbraw/zinc/45/64/44/609456444.db2.gz LQAQFRKEWWRVRJ-LBPRGKRZSA-N -1 3 319.372 2.730 20 0 DFADHM C[C@@H](CNc1nc2ccccn2c1-c1nn[n-]n1)c1ccccc1 ZINC000824435112 609456446 /nfs/dbraw/zinc/45/64/46/609456446.db2.gz LQAQFRKEWWRVRJ-LBPRGKRZSA-N -1 3 319.372 2.730 20 0 DFADHM Fc1cccc(CCNc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826376513 609474815 /nfs/dbraw/zinc/47/48/15/609474815.db2.gz HDCHAWYIMQNAIQ-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM Fc1cccc(CCNc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826376513 609474817 /nfs/dbraw/zinc/47/48/17/609474817.db2.gz HDCHAWYIMQNAIQ-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM C[C@@H](NC(=O)C12CCC(CC1)C2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824471520 609477420 /nfs/dbraw/zinc/47/74/20/609477420.db2.gz RARYJMYKLXKQAA-ZBFVHZJFSA-N -1 3 311.389 2.624 20 0 DFADHM C[C@H](NC(=O)C12CCC(CC1)C2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824471519 609477331 /nfs/dbraw/zinc/47/73/31/609477331.db2.gz RARYJMYKLXKQAA-DLGFLZQMSA-N -1 3 311.389 2.624 20 0 DFADHM C[C@H](NC(=O)C12CCC(CC1)C2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824471519 609477334 /nfs/dbraw/zinc/47/73/34/609477334.db2.gz RARYJMYKLXKQAA-DLGFLZQMSA-N -1 3 311.389 2.624 20 0 DFADHM C[C@@H](NC(=O)C12CCC(CC1)C2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824471520 609477418 /nfs/dbraw/zinc/47/74/18/609477418.db2.gz RARYJMYKLXKQAA-ZBFVHZJFSA-N -1 3 311.389 2.624 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1sc(C)nc1C ZINC000826187035 609482261 /nfs/dbraw/zinc/48/22/61/609482261.db2.gz WNEHIRKMILYUTD-UHFFFAOYSA-N -1 3 316.390 2.561 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1sc(C)nc1C ZINC000826187035 609482262 /nfs/dbraw/zinc/48/22/62/609482262.db2.gz WNEHIRKMILYUTD-UHFFFAOYSA-N -1 3 316.390 2.561 20 0 DFADHM Cc1c(NCc2cn3cccc(F)c3n2)cccc1-c1nnn[n-]1 ZINC000826242345 609485715 /nfs/dbraw/zinc/48/57/15/609485715.db2.gz LDDLQUSPHYITAW-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1c(NCc2cn3cccc(F)c3n2)cccc1-c1nn[n-]n1 ZINC000826242345 609485718 /nfs/dbraw/zinc/48/57/18/609485718.db2.gz LDDLQUSPHYITAW-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1c(NCc2cnn(C(C)(C)C)c2)cccc1-c1nnn[n-]1 ZINC000826242746 609486907 /nfs/dbraw/zinc/48/69/07/609486907.db2.gz DHKGEKIASMCLAF-UHFFFAOYSA-N -1 3 311.393 2.739 20 0 DFADHM Cc1c(NCc2cnn(C(C)(C)C)c2)cccc1-c1nn[n-]n1 ZINC000826242746 609486909 /nfs/dbraw/zinc/48/69/09/609486909.db2.gz DHKGEKIASMCLAF-UHFFFAOYSA-N -1 3 311.393 2.739 20 0 DFADHM Cc1ccc2ncc(CNc3cccc(-c4nn[n-]n4)c3C)n2c1 ZINC000826295411 609487210 /nfs/dbraw/zinc/48/72/10/609487210.db2.gz GGABYFKKCZJTTJ-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM CC(C)Oc1ccc(NC2CCSCC2)cc1-c1nnn[n-]1 ZINC000824329580 609489651 /nfs/dbraw/zinc/48/96/51/609489651.db2.gz RTNIRBKOLULEGV-UHFFFAOYSA-N -1 3 319.434 2.961 20 0 DFADHM CC(C)Oc1ccc(NC2CCSCC2)cc1-c1nn[n-]n1 ZINC000824329580 609489652 /nfs/dbraw/zinc/48/96/52/609489652.db2.gz RTNIRBKOLULEGV-UHFFFAOYSA-N -1 3 319.434 2.961 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC[C@H]2C)s1 ZINC000825693717 609491944 /nfs/dbraw/zinc/49/19/44/609491944.db2.gz BGUWXODBBUPSEX-PSASIEDQSA-N -1 3 305.407 2.865 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC[C@H]2C)s1 ZINC000825693717 609491945 /nfs/dbraw/zinc/49/19/45/609491945.db2.gz BGUWXODBBUPSEX-PSASIEDQSA-N -1 3 305.407 2.865 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826231285 609502583 /nfs/dbraw/zinc/50/25/83/609502583.db2.gz FEXHDNUTGGBMMQ-GFCCVEGCSA-N -1 3 307.357 2.633 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826231285 609502585 /nfs/dbraw/zinc/50/25/85/609502585.db2.gz FEXHDNUTGGBMMQ-GFCCVEGCSA-N -1 3 307.357 2.633 20 0 DFADHM C[C@@H]1CC(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000824876199 609504216 /nfs/dbraw/zinc/50/42/16/609504216.db2.gz RDQNXIVVWKIIOF-QWRGUYRKSA-N -1 3 300.362 2.844 20 0 DFADHM C[C@@H]1CC(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824876199 609504217 /nfs/dbraw/zinc/50/42/17/609504217.db2.gz RDQNXIVVWKIIOF-QWRGUYRKSA-N -1 3 300.362 2.844 20 0 DFADHM CCOc1ccc(CN(C)c2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000825639203 609519466 /nfs/dbraw/zinc/51/94/66/609519466.db2.gz UXDHAHCLQXVPRL-UHFFFAOYSA-N -1 3 324.388 2.605 20 0 DFADHM CCOc1ccc(CN(C)c2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000825639203 609519467 /nfs/dbraw/zinc/51/94/67/609519467.db2.gz UXDHAHCLQXVPRL-UHFFFAOYSA-N -1 3 324.388 2.605 20 0 DFADHM Cc1c(Cl)cnc(N[C@H](C)c2ccccn2)c1-c1nnn[n-]1 ZINC000826239058 609519981 /nfs/dbraw/zinc/51/99/81/609519981.db2.gz XDDKROHHCWTPJZ-SECBINFHSA-N -1 3 315.768 2.792 20 0 DFADHM Cc1c(Cl)cnc(N[C@H](C)c2ccccn2)c1-c1nn[n-]n1 ZINC000826239058 609519984 /nfs/dbraw/zinc/51/99/84/609519984.db2.gz XDDKROHHCWTPJZ-SECBINFHSA-N -1 3 315.768 2.792 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H](C)Cc2ccco2)c1-c1nnn[n-]1 ZINC000826238364 609530066 /nfs/dbraw/zinc/53/00/66/609530066.db2.gz DOKVEXQGXZLULL-QMMMGPOBSA-N -1 3 318.768 2.860 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H](C)Cc2ccco2)c1-c1nn[n-]n1 ZINC000826238364 609530068 /nfs/dbraw/zinc/53/00/68/609530068.db2.gz DOKVEXQGXZLULL-QMMMGPOBSA-N -1 3 318.768 2.860 20 0 DFADHM Cc1c(Cl)cnc(N(CC(C)C)C2CC2)c1-c1nnn[n-]1 ZINC000826237233 609530156 /nfs/dbraw/zinc/53/01/56/609530156.db2.gz SUHWLAZGAJNXJE-UHFFFAOYSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N(CC(C)C)C2CC2)c1-c1nn[n-]n1 ZINC000826237233 609530157 /nfs/dbraw/zinc/53/01/57/609530157.db2.gz SUHWLAZGAJNXJE-UHFFFAOYSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1ccnc(N(C)CCCc2ccccc2)c1-c1nnn[n-]1 ZINC000826309499 609534875 /nfs/dbraw/zinc/53/48/75/609534875.db2.gz RAQLUAJSGNJXGO-UHFFFAOYSA-N -1 3 308.389 2.639 20 0 DFADHM Cc1ccnc(N(C)CCCc2ccccc2)c1-c1nn[n-]n1 ZINC000826309499 609534878 /nfs/dbraw/zinc/53/48/78/609534878.db2.gz RAQLUAJSGNJXGO-UHFFFAOYSA-N -1 3 308.389 2.639 20 0 DFADHM Cc1ccc2c(c1C)OC[C@@H]2Nc1nccc(C)c1-c1nnn[n-]1 ZINC000826294640 609547006 /nfs/dbraw/zinc/54/70/06/609547006.db2.gz XXYXXAVLIASWPU-ZDUSSCGKSA-N -1 3 322.372 2.733 20 0 DFADHM Cc1ccc2c(c1C)OC[C@@H]2Nc1nccc(C)c1-c1nn[n-]n1 ZINC000826294640 609547008 /nfs/dbraw/zinc/54/70/08/609547008.db2.gz XXYXXAVLIASWPU-ZDUSSCGKSA-N -1 3 322.372 2.733 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@H]2C2CCC2)c1-c1nnn[n-]1 ZINC000826238115 609547313 /nfs/dbraw/zinc/54/73/13/609547313.db2.gz WVNNGLWRYQBSSO-LBPRGKRZSA-N -1 3 318.812 2.992 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@H]2C2CCC2)c1-c1nn[n-]n1 ZINC000826238115 609547314 /nfs/dbraw/zinc/54/73/14/609547314.db2.gz WVNNGLWRYQBSSO-LBPRGKRZSA-N -1 3 318.812 2.992 20 0 DFADHM Cc1c(Cl)cnc(N(CC2CC2)CC2CC2)c1-c1nnn[n-]1 ZINC000826237216 609554557 /nfs/dbraw/zinc/55/45/57/609554557.db2.gz RWBWCCMFEMCUND-UHFFFAOYSA-N -1 3 318.812 2.850 20 0 DFADHM Cc1c(Cl)cnc(N(CC2CC2)CC2CC2)c1-c1nn[n-]n1 ZINC000826237216 609554558 /nfs/dbraw/zinc/55/45/58/609554558.db2.gz RWBWCCMFEMCUND-UHFFFAOYSA-N -1 3 318.812 2.850 20 0 DFADHM CS[C@H]1CCC[C@@H](Nc2nccc(C)c2-c2nnn[n-]2)C1 ZINC000826227732 609554845 /nfs/dbraw/zinc/55/48/45/609554845.db2.gz WQRAMUNRDQWIKZ-MNOVXSKESA-N -1 3 304.423 2.656 20 0 DFADHM CS[C@H]1CCC[C@@H](Nc2nccc(C)c2-c2nn[n-]n2)C1 ZINC000826227732 609554847 /nfs/dbraw/zinc/55/48/47/609554847.db2.gz WQRAMUNRDQWIKZ-MNOVXSKESA-N -1 3 304.423 2.656 20 0 DFADHM Cc1ccnc(N[C@@H]2C[C@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826313018 609560434 /nfs/dbraw/zinc/56/04/34/609560434.db2.gz UQEYUSCPQLWRBS-ZIAGYGMSSA-N -1 3 306.373 2.613 20 0 DFADHM Cc1ccnc(N[C@@H]2C[C@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826313018 609560436 /nfs/dbraw/zinc/56/04/36/609560436.db2.gz UQEYUSCPQLWRBS-ZIAGYGMSSA-N -1 3 306.373 2.613 20 0 DFADHM Cc1ccnc(NC[C@@H](C)Cc2cccs2)c1-c1nnn[n-]1 ZINC000826312594 609560726 /nfs/dbraw/zinc/56/07/26/609560726.db2.gz JAQOBTWSAGAYDF-JTQLQIEISA-N -1 3 314.418 2.922 20 0 DFADHM Cc1ccnc(NC[C@@H](C)Cc2cccs2)c1-c1nn[n-]n1 ZINC000826312594 609560728 /nfs/dbraw/zinc/56/07/28/609560728.db2.gz JAQOBTWSAGAYDF-JTQLQIEISA-N -1 3 314.418 2.922 20 0 DFADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCCOC1 ZINC000824650859 609561928 /nfs/dbraw/zinc/56/19/28/609561928.db2.gz VBBHUYYFWLJHBR-NXEZZACHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCCOC1 ZINC000824650859 609561930 /nfs/dbraw/zinc/56/19/30/609561930.db2.gz VBBHUYYFWLJHBR-NXEZZACHSA-N -1 3 307.785 2.747 20 0 DFADHM Cc1ccnc(N2CC[C@H]2c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826310568 609564965 /nfs/dbraw/zinc/56/49/65/609564965.db2.gz ZONQVVWARVLIRG-ZDUSSCGKSA-N -1 3 310.336 2.661 20 0 DFADHM Cc1ccnc(N2CC[C@H]2c2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826310568 609564967 /nfs/dbraw/zinc/56/49/67/609564967.db2.gz ZONQVVWARVLIRG-ZDUSSCGKSA-N -1 3 310.336 2.661 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)cn1)[C@@H](C)C2 ZINC000826293787 609570274 /nfs/dbraw/zinc/57/02/74/609570274.db2.gz BDPPKCJOCUSXKN-ZBEGNZNMSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)cn1)[C@@H](C)C2 ZINC000826293787 609570276 /nfs/dbraw/zinc/57/02/76/609570276.db2.gz BDPPKCJOCUSXKN-ZBEGNZNMSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)nc1)[C@@H](C)C2 ZINC000826293895 609570517 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323.414 2.670 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(F)c[nH]2)c1[O-] ZINC000590379327 398617848 /nfs/dbraw/zinc/61/78/48/398617848.db2.gz USUROGSKTABGEH-UHFFFAOYSA-N -1 3 312.684 2.552 20 0 DFADHM CCC1(O)CCN(Cc2cc(=O)oc3c(C)c([O-])ccc23)CC1 ZINC000072724155 398634131 /nfs/dbraw/zinc/63/41/31/398634131.db2.gz IYOXXTRZONXINB-UHFFFAOYSA-N -1 3 317.385 2.544 20 0 DFADHM CC(=O)N1CC[C@H](NCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000414643767 295810606 /nfs/dbraw/zinc/81/06/06/295810606.db2.gz YDMPALNDXWNDFI-KRWDZBQOSA-N -1 3 324.380 2.972 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccnc2ccccc21 ZINC000072752875 398634759 /nfs/dbraw/zinc/63/47/59/398634759.db2.gz ZFURVGLTKCKKQV-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccnc2ccccc21 ZINC000072752875 398634762 /nfs/dbraw/zinc/63/47/62/398634762.db2.gz ZFURVGLTKCKKQV-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM CCN(C)S(=O)(=O)[N-]c1cccc(Cl)c1OC(C)C ZINC000072760583 398636171 /nfs/dbraw/zinc/63/61/71/398636171.db2.gz MUVIAVCMRFVEEB-UHFFFAOYSA-N -1 3 306.815 2.736 20 0 DFADHM COc1ccc(C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000163958223 186143448 /nfs/dbraw/zinc/14/34/48/186143448.db2.gz SZFJPCNQGRWHQG-LRDDRELGSA-N -1 3 315.369 2.643 20 0 DFADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC=CCC2)c1 ZINC000177853324 186194193 /nfs/dbraw/zinc/19/41/93/186194193.db2.gz MBEJJQHPFIXDDO-LBPRGKRZSA-N -1 3 313.806 2.930 20 0 DFADHM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000590610330 398639685 /nfs/dbraw/zinc/63/96/85/398639685.db2.gz IPOWCNYKTODDSN-SMDDNHRTSA-N -1 3 300.399 2.858 20 0 DFADHM O=C(CN[C@@H](c1ccccc1)C1CC1)[N-]OCc1ccccc1 ZINC000179687996 186205605 /nfs/dbraw/zinc/20/56/05/186205605.db2.gz IWEUMKNDETYXKW-IBGZPJMESA-N -1 3 310.397 2.975 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC000597442350 398642036 /nfs/dbraw/zinc/64/20/36/398642036.db2.gz WIOMOLWSGUTLQO-CYZMBNFOSA-N -1 3 303.358 2.944 20 0 DFADHM COC(=O)CN(Cc1ccccc1)C(=O)c1cccc(C)c1[O-] ZINC000094020115 398651764 /nfs/dbraw/zinc/65/17/64/398651764.db2.gz LPEDSUPLCUXFJH-UHFFFAOYSA-N -1 3 313.353 2.516 20 0 DFADHM COC(=O)CN(Cc1ccccc1)C(=O)c1ccc(C)cc1[O-] ZINC000094020108 398651962 /nfs/dbraw/zinc/65/19/62/398651962.db2.gz PKIFEKTYSLZAFL-UHFFFAOYSA-N -1 3 313.353 2.516 20 0 DFADHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCOCC1 ZINC000267835571 186371001 /nfs/dbraw/zinc/37/10/01/186371001.db2.gz YDWDABMNOIPTCD-UHFFFAOYSA-N -1 3 321.801 2.574 20 0 DFADHM Cn1cc(Br)cc1C(=O)Nc1cccc([O-])c1F ZINC000128507257 282981813 /nfs/dbraw/zinc/98/18/13/282981813.db2.gz LSBCCHXLMFXOMN-UHFFFAOYSA-N -1 3 313.126 2.885 20 0 DFADHM COc1cccc2c1C[C@H](NCc1c(F)ccc([O-])c1F)C2 ZINC000459737275 299177398 /nfs/dbraw/zinc/17/73/98/299177398.db2.gz WRNPAQNCEHOTKB-LLVKDONJSA-N -1 3 305.324 2.936 20 0 DFADHM CCC[C@@H](C)S(=O)(=O)[N-][C@H](CCC)C(=O)OC(C)(C)C ZINC000593577281 398657790 /nfs/dbraw/zinc/65/77/90/398657790.db2.gz FYDYFBHVRWUWHK-VXGBXAGGSA-N -1 3 307.456 2.605 20 0 DFADHM CCOCCCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280069292 215352988 /nfs/dbraw/zinc/35/29/88/215352988.db2.gz YZSYJLGYIFHXMY-UHFFFAOYSA-N -1 3 305.296 2.958 20 0 DFADHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000593622981 398663543 /nfs/dbraw/zinc/66/35/43/398663543.db2.gz GQAVLYBKUVOBOA-VXGBXAGGSA-N -1 3 320.867 2.688 20 0 DFADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(SC(F)F)c1 ZINC000172368465 198087228 /nfs/dbraw/zinc/08/72/28/198087228.db2.gz CCYARRGRRBZEHY-SNVBAGLBSA-N -1 3 323.386 2.922 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])c1cncc(F)c1 ZINC000120767028 282793361 /nfs/dbraw/zinc/79/33/61/282793361.db2.gz PPIMFCGLSBOGRX-UHFFFAOYSA-N -1 3 311.110 2.941 20 0 DFADHM Cc1cc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)ccc1[O-] ZINC000280101139 215375925 /nfs/dbraw/zinc/37/59/25/215375925.db2.gz RHRHEGUCQOFVBR-LBPRGKRZSA-N -1 3 301.346 2.570 20 0 DFADHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)o1 ZINC000080631923 192175062 /nfs/dbraw/zinc/17/50/62/192175062.db2.gz GSNWDGBYAYSDNM-UHFFFAOYSA-N -1 3 324.402 2.557 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)C2CC3(CC3)C2)c1[O-] ZINC000597650036 398674396 /nfs/dbraw/zinc/67/43/96/398674396.db2.gz VICNSNWZBBAWAY-UHFFFAOYSA-N -1 3 309.749 2.961 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000597650336 398674474 /nfs/dbraw/zinc/67/44/74/398674474.db2.gz WTSPKDAKRPDQSY-AYMMMOKOSA-N -1 3 309.749 2.817 20 0 DFADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)o1 ZINC000590792780 398676042 /nfs/dbraw/zinc/67/60/42/398676042.db2.gz LWGGHGYCFUMEGI-UHFFFAOYSA-N -1 3 317.769 2.902 20 0 DFADHM Cc1ccc(NC(=O)[C@H](C)NC(=O)c2cccs2)c([O-])c1 ZINC000045684082 398680487 /nfs/dbraw/zinc/68/04/87/398680487.db2.gz LSYOGNUZNHEPMG-JTQLQIEISA-N -1 3 304.371 2.519 20 0 DFADHM CC(C)c1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000104135444 398686785 /nfs/dbraw/zinc/68/67/85/398686785.db2.gz YCPOBBRRBFHCPA-UHFFFAOYSA-N -1 3 308.337 2.946 20 0 DFADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000173661269 198236918 /nfs/dbraw/zinc/23/69/18/198236918.db2.gz UKDFAOAPVPTAPW-SFHVURJKSA-N -1 3 314.385 2.613 20 0 DFADHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403324769 398690371 /nfs/dbraw/zinc/69/03/71/398690371.db2.gz NMPNOKBSJWGAAO-SDDRHHMPSA-N -1 3 310.806 2.679 20 0 DFADHM O=C([O-])[C@H]1CC12CCN(CCOc1cccc(Cl)c1)CC2 ZINC000405463976 398694536 /nfs/dbraw/zinc/69/45/36/398694536.db2.gz ZFDBATDOWIQWCX-CQSZACIVSA-N -1 3 309.793 2.906 20 0 DFADHM O=C(Nc1ccc(Cn2cccn2)cc1)c1c([O-])cccc1O ZINC000125712440 282886564 /nfs/dbraw/zinc/88/65/64/282886564.db2.gz OWXYDBCWWPASIL-UHFFFAOYSA-N -1 3 309.325 2.595 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@@H]1CCCO ZINC000331999857 234370755 /nfs/dbraw/zinc/37/07/55/234370755.db2.gz PBNVVLJXNSVESQ-CQSZACIVSA-N -1 3 303.402 2.648 20 0 DFADHM CC(C)(C)c1nc2ccc(NC(=O)c3cnn[n-]3)cc2s1 ZINC000174567387 198353405 /nfs/dbraw/zinc/35/34/05/198353405.db2.gz FJFCPCUSOBGGKA-UHFFFAOYSA-N -1 3 301.375 2.964 20 0 DFADHM CC(C)(C)c1nc2ccc(NC(=O)c3c[n-]nn3)cc2s1 ZINC000174567387 198353407 /nfs/dbraw/zinc/35/34/07/198353407.db2.gz FJFCPCUSOBGGKA-UHFFFAOYSA-N -1 3 301.375 2.964 20 0 DFADHM CC(C)(C)c1nc2ccc(NC(=O)c3cn[n-]n3)cc2s1 ZINC000174567387 198353408 /nfs/dbraw/zinc/35/34/08/198353408.db2.gz FJFCPCUSOBGGKA-UHFFFAOYSA-N -1 3 301.375 2.964 20 0 DFADHM CC(C)n1[n-]cc/c1=N\C(=O)NC[C@H](C)Cc1cccs1 ZINC000174574761 198354519 /nfs/dbraw/zinc/35/45/19/198354519.db2.gz KGQAEKQJZUZRCB-FNFFHQHPSA-N -1 3 306.435 2.948 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)c1 ZINC000126210065 282903467 /nfs/dbraw/zinc/90/34/67/282903467.db2.gz ZQBUNWACXGUJKA-CYBMUJFWSA-N -1 3 303.424 2.698 20 0 DFADHM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000174881947 198396985 /nfs/dbraw/zinc/39/69/85/198396985.db2.gz BLBOEHWJRMSXGJ-JTQLQIEISA-N -1 3 324.352 2.727 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCCc2ccccc21)c1cncc(F)c1 ZINC000332175048 234602649 /nfs/dbraw/zinc/60/26/49/234602649.db2.gz SWIKEFJCLQASJD-ZDUSSCGKSA-N -1 3 320.389 2.619 20 0 DFADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000128826320 282994488 /nfs/dbraw/zinc/99/44/88/282994488.db2.gz JLVPERFNEMNXRM-JTQLQIEISA-N -1 3 323.817 2.555 20 0 DFADHM Cc1cccc(NC(=O)NCC(=O)Nc2cccc([O-])c2F)c1 ZINC000129079997 283001595 /nfs/dbraw/zinc/00/15/95/283001595.db2.gz JFTSNFZDZDKDEP-UHFFFAOYSA-N -1 3 317.320 2.600 20 0 DFADHM COCC[C@H]1CCCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000332234689 234686709 /nfs/dbraw/zinc/68/67/09/234686709.db2.gz GBQDLKMNTCHLSJ-CQSZACIVSA-N -1 3 319.401 2.874 20 0 DFADHM CCc1noc2ncc(C(=O)Nc3cccc([O-])c3F)cc12 ZINC000129524654 283019060 /nfs/dbraw/zinc/01/90/60/283019060.db2.gz FRYSSLVWRDRTOZ-UHFFFAOYSA-N -1 3 301.277 2.882 20 0 DFADHM CC[C@@H](NC(=O)c1ccc(OC)cc1[O-])c1c(C)noc1C ZINC000129710604 283025944 /nfs/dbraw/zinc/02/59/44/283025944.db2.gz TUHNGWJHKUPBCD-CYBMUJFWSA-N -1 3 304.346 2.887 20 0 DFADHM CCCC(=O)N1CCC[C@@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000129714550 283026007 /nfs/dbraw/zinc/02/60/07/283026007.db2.gz PPUGDUSEDFUBAL-LLVKDONJSA-N -1 3 308.353 2.509 20 0 DFADHM CC[C@H](NC(=O)c1cccc(OC)c1[O-])c1c(C)noc1C ZINC000129720324 283026649 /nfs/dbraw/zinc/02/66/49/283026649.db2.gz PDJJTLWLTJOFQQ-LBPRGKRZSA-N -1 3 304.346 2.887 20 0 DFADHM CCCN(CCc1ccccn1)C(=O)c1cc(OC)ccc1[O-] ZINC000130151730 283040934 /nfs/dbraw/zinc/04/09/34/283040934.db2.gz NRNUGHNOTBVQAT-UHFFFAOYSA-N -1 3 314.385 2.891 20 0 DFADHM COc1cc(C(=O)N(C)[C@@H]2C[C@@](C)(OC)C2(C)C)ccc1[O-] ZINC000276993627 213226861 /nfs/dbraw/zinc/22/68/61/213226861.db2.gz XVSBNLNQFQDFTD-RHSMWYFYSA-N -1 3 307.390 2.676 20 0 DFADHM COc1cc(C(=O)N(C)[C@H]2C[C@@](C)(OC)C2(C)C)ccc1[O-] ZINC000276993631 213226670 /nfs/dbraw/zinc/22/66/70/213226670.db2.gz XVSBNLNQFQDFTD-WMLDXEAASA-N -1 3 307.390 2.676 20 0 DFADHM CC[C@H](OC1CCCCC1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000130713140 283058436 /nfs/dbraw/zinc/05/84/36/283058436.db2.gz FIFGDIXARGFMSH-VIFPVBQESA-N -1 3 320.315 2.890 20 0 DFADHM CC[C@H](OC1CCCCC1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000130713140 283058439 /nfs/dbraw/zinc/05/84/39/283058439.db2.gz FIFGDIXARGFMSH-VIFPVBQESA-N -1 3 320.315 2.890 20 0 DFADHM Cc1cc(Cl)c(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc1C ZINC000130929623 283066038 /nfs/dbraw/zinc/06/60/38/283066038.db2.gz OBQYVSKVNUCIQF-UHFFFAOYSA-N -1 3 307.737 2.719 20 0 DFADHM O=C([N-]c1nnc2ccccn21)c1ncoc1-c1ccccc1 ZINC000112004607 398731303 /nfs/dbraw/zinc/73/13/03/398731303.db2.gz GCGLLKMDNVAAEX-UHFFFAOYSA-N -1 3 305.297 2.637 20 0 DFADHM Cc1ccc(NC(=O)Cc2cc3ccccc3[nH]c2=O)c([O-])c1 ZINC000047062988 398735161 /nfs/dbraw/zinc/73/51/61/398735161.db2.gz MPJOSEWSNCZPBA-UHFFFAOYSA-N -1 3 308.337 2.723 20 0 DFADHM COc1cc(NC(=O)c2cccc(C)c2[O-])ccc1NC(C)=O ZINC000131221205 283076104 /nfs/dbraw/zinc/07/61/04/283076104.db2.gz MKFJSMQVOAWWSG-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)[C@H]3CCCOC3)ccc2[n-]1 ZINC000332575622 235130529 /nfs/dbraw/zinc/13/05/29/235130529.db2.gz FOHBLVZKKTUTRQ-AAEUAGOBSA-N -1 3 317.389 2.507 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)[C@H]3CCCOC3)cc2[n-]1 ZINC000332575622 235130533 /nfs/dbraw/zinc/13/05/33/235130533.db2.gz FOHBLVZKKTUTRQ-AAEUAGOBSA-N -1 3 317.389 2.507 20 0 DFADHM Cc1ccsc1CCCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000131230260 283076806 /nfs/dbraw/zinc/07/68/06/283076806.db2.gz ZHCYBUZDSZTNJX-UHFFFAOYSA-N -1 3 307.375 2.528 20 0 DFADHM COc1cccc(C(=O)NCc2ccn(-c3ccccc3)n2)c1[O-] ZINC000131276491 283078397 /nfs/dbraw/zinc/07/83/97/283078397.db2.gz KBWSCTRIFXMWHL-UHFFFAOYSA-N -1 3 323.352 2.517 20 0 DFADHM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000332605977 235186924 /nfs/dbraw/zinc/18/69/24/235186924.db2.gz SKSFIDGLIWUCEL-WCBMZHEXSA-N -1 3 312.295 2.761 20 0 DFADHM COc1ccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC000047189331 398739532 /nfs/dbraw/zinc/73/95/32/398739532.db2.gz KOQKTEHASOXMAH-MLGOLLRUSA-N -1 3 307.390 2.726 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)ccc1F ZINC000074829480 191368366 /nfs/dbraw/zinc/36/83/66/191368366.db2.gz RLINMCJDIBQMST-UHFFFAOYSA-N -1 3 307.346 2.870 20 0 DFADHM CCCCCS(=O)(=O)[N-][C@@H](CCC)C(=O)OC(C)(C)C ZINC000462680531 299229068 /nfs/dbraw/zinc/22/90/68/299229068.db2.gz JMMAVXPHGSUUBD-LBPRGKRZSA-N -1 3 307.456 2.606 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCOC(C)(C)[C@@H]3C)ccc2[n-]1 ZINC000332623971 235212655 /nfs/dbraw/zinc/21/26/55/235212655.db2.gz NGMMQIRZOJPIFD-NSHDSACASA-N -1 3 317.389 2.601 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCOC(C)(C)[C@@H]3C)cc2[n-]1 ZINC000332623971 235212659 /nfs/dbraw/zinc/21/26/59/235212659.db2.gz NGMMQIRZOJPIFD-NSHDSACASA-N -1 3 317.389 2.601 20 0 DFADHM CCc1nnc(CSCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000591389369 398755875 /nfs/dbraw/zinc/75/58/75/398755875.db2.gz KKEAIKIQLQFLIE-UHFFFAOYSA-N -1 3 308.432 2.907 20 0 DFADHM O=C([N-]c1nc2ccccn2n1)c1ccc(Br)s1 ZINC000132698053 283127173 /nfs/dbraw/zinc/12/71/73/283127173.db2.gz LYOQLKWDDUCBFO-UHFFFAOYSA-N -1 3 323.175 2.806 20 0 DFADHM COC(=O)CN(Cc1cc([O-])ccc1Br)C(C)C ZINC000093287303 291080863 /nfs/dbraw/zinc/08/08/63/291080863.db2.gz XGWAVLAQULUHDD-UHFFFAOYSA-N -1 3 316.195 2.538 20 0 DFADHM CCOc1ccccc1OCC(=O)NCc1ccc([O-])c(F)c1 ZINC000132942864 283135003 /nfs/dbraw/zinc/13/50/03/283135003.db2.gz ZLOGKHZBVONSPL-UHFFFAOYSA-N -1 3 319.332 2.625 20 0 DFADHM CC(C)c1cccc(N(C)C(=O)c2cc(=O)[n-]c(N(C)C)n2)c1 ZINC000463331480 299236554 /nfs/dbraw/zinc/23/65/54/299236554.db2.gz CCNCZNFCUVPINL-UHFFFAOYSA-N -1 3 314.389 2.648 20 0 DFADHM COCc1cc(C(=O)[N-]c2nc3ccc(C)cc3s2)no1 ZINC000079995267 191991962 /nfs/dbraw/zinc/99/19/62/191991962.db2.gz ZKANXJKHDGPNTJ-UHFFFAOYSA-N -1 3 303.343 2.991 20 0 DFADHM O=[S@@](Cc1nnc(-c2ccccc2)o1)c1ccc([O-])cc1 ZINC000080140723 192005314 /nfs/dbraw/zinc/00/53/14/192005314.db2.gz DASJTWARLQUOJO-OAQYLSRUSA-N -1 3 300.339 2.750 20 0 DFADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2nc3ccccn3n2)n1 ZINC000133237262 283144608 /nfs/dbraw/zinc/14/46/08/283144608.db2.gz LLKBRNFWPGPUHT-UHFFFAOYSA-N -1 3 316.752 2.548 20 0 DFADHM CCO[C@H](CCNC(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000080717614 192185560 /nfs/dbraw/zinc/18/55/60/192185560.db2.gz GVTUEFRNETZEIC-OAHLLOKOSA-N -1 3 312.385 2.782 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1C)c1ccc(C)o1 ZINC000080789130 192190424 /nfs/dbraw/zinc/19/04/24/192190424.db2.gz CWRAZPLHHNXXFX-OAHLLOKOSA-N -1 3 323.414 2.704 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)CC1CCCCC1)c1ccc(C)o1 ZINC000080788723 192190673 /nfs/dbraw/zinc/19/06/73/192190673.db2.gz HYLDCZGNMFOFFW-AWEZNQCLSA-N -1 3 315.435 2.775 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)c1c(C)cc(C)cc1C)c1ccco1 ZINC000080790149 192191124 /nfs/dbraw/zinc/19/11/24/192191124.db2.gz QVCFOJIVQRQHOJ-CQSZACIVSA-N -1 3 323.414 2.871 20 0 DFADHM CC(C)(C)OC(=O)CN(C(=O)c1ccccc1[O-])C1CCC1 ZINC000594197472 398763735 /nfs/dbraw/zinc/76/37/35/398763735.db2.gz BVEPUUXZWXPYTF-UHFFFAOYSA-N -1 3 305.374 2.729 20 0 DFADHM COc1cc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc(OC)c1[O-] ZINC000133787568 283161812 /nfs/dbraw/zinc/16/18/12/283161812.db2.gz ZVZCMWOGQWTCFZ-VXGBXAGGSA-N -1 3 305.374 2.672 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000292326151 222993362 /nfs/dbraw/zinc/99/33/62/222993362.db2.gz WCUKICRHXBBJGV-AWEZNQCLSA-N -1 3 301.390 2.899 20 0 DFADHM CC1(C)C(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)C1(C)C ZINC000081244156 192239979 /nfs/dbraw/zinc/23/99/79/192239979.db2.gz VDYPZKAFZKDNHP-UHFFFAOYSA-N -1 3 310.419 2.679 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2nncn2Cc2ccccc2)c1 ZINC000117990418 398767646 /nfs/dbraw/zinc/76/76/46/398767646.db2.gz YMWMURYTWBRHSM-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCOc3cc(F)ccc32)c1 ZINC000118277552 398769568 /nfs/dbraw/zinc/76/95/68/398769568.db2.gz GSJWXVFQXOLTLC-UHFFFAOYSA-N -1 3 303.289 2.579 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccc(C)cc1 ZINC000134282960 283179782 /nfs/dbraw/zinc/17/97/82/283179782.db2.gz FXTJXIZYAOQGHU-UHFFFAOYSA-N -1 3 316.357 2.903 20 0 DFADHM CC[C@]1(C)C[C@H]1C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000134710787 283197171 /nfs/dbraw/zinc/19/71/71/283197171.db2.gz NDLFBTOLJGVQLG-MEDUHNTESA-N -1 3 300.362 2.855 20 0 DFADHM CC(C)c1cc(C(=O)NCC(=O)NC2CC2)c([O-])c(C(C)C)c1 ZINC000121829840 398790198 /nfs/dbraw/zinc/79/01/98/398790198.db2.gz XFDYPBONCIWRGE-UHFFFAOYSA-N -1 3 318.417 2.647 20 0 DFADHM CCOC(=O)c1sc(NC(=O)Cc2cncc([O-])c2)cc1C ZINC000598322136 398791369 /nfs/dbraw/zinc/79/13/69/398791369.db2.gz FFXNHAVNQWPFKK-UHFFFAOYSA-N -1 3 320.370 2.515 20 0 DFADHM CCOc1nc2cc(C(=O)NCC3(SCC)CC3)ccc2[n-]1 ZINC000598329507 398792998 /nfs/dbraw/zinc/79/29/98/398792998.db2.gz RMQPPPIUQMTQOE-UHFFFAOYSA-N -1 3 319.430 2.977 20 0 DFADHM CCOc1nc2ccc(C(=O)NCC3(SCC)CC3)cc2[n-]1 ZINC000598329507 398793002 /nfs/dbraw/zinc/79/30/02/398793002.db2.gz RMQPPPIUQMTQOE-UHFFFAOYSA-N -1 3 319.430 2.977 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416252810 295934870 /nfs/dbraw/zinc/93/48/70/295934870.db2.gz BLBOESBDOHUUFO-NSHDSACASA-N -1 3 324.352 2.974 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416252809 295934931 /nfs/dbraw/zinc/93/49/31/295934931.db2.gz BLBOESBDOHUUFO-LLVKDONJSA-N -1 3 324.352 2.974 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c[nH]1 ZINC000122810752 398794272 /nfs/dbraw/zinc/79/42/72/398794272.db2.gz CYUDULIGPGGTIL-UHFFFAOYSA-N -1 3 319.430 2.543 20 0 DFADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)SC)c2)n1 ZINC000049301613 398793847 /nfs/dbraw/zinc/79/38/47/398793847.db2.gz YDEBPFAVDSOKIZ-JTQLQIEISA-N -1 3 317.414 2.689 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)c[nH]1 ZINC000122978382 398794981 /nfs/dbraw/zinc/79/49/81/398794981.db2.gz RIEKSNABWHMTTB-CYBMUJFWSA-N -1 3 323.393 2.638 20 0 DFADHM COc1ccc(NC(=O)/C=C/c2nnc(C(C)C)o2)c([O-])c1 ZINC000135453488 283221558 /nfs/dbraw/zinc/22/15/58/283221558.db2.gz UAEALSPSSFSCGR-VOTSOKGWSA-N -1 3 303.318 2.559 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCSC[C@H]1C1CCC1 ZINC000416327163 295941886 /nfs/dbraw/zinc/94/18/86/295941886.db2.gz OIIGQHZUCRDHNH-AWEZNQCLSA-N -1 3 309.406 2.818 20 0 DFADHM O=C(C=Cc1cccc(F)c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136985912 283246812 /nfs/dbraw/zinc/24/68/12/283246812.db2.gz SZZFKTOEWNYMTF-RMKNXTFCSA-N -1 3 323.331 2.582 20 0 DFADHM O=C(C=Cc1cccc(F)c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136985912 283246815 /nfs/dbraw/zinc/24/68/15/283246815.db2.gz SZZFKTOEWNYMTF-RMKNXTFCSA-N -1 3 323.331 2.582 20 0 DFADHM O=C(CCOCC(F)(F)C(F)F)Nc1cc(F)ccc1[O-] ZINC000276825606 213117854 /nfs/dbraw/zinc/11/78/54/213117854.db2.gz NZOJRMMCFUKCEH-UHFFFAOYSA-N -1 3 313.222 2.777 20 0 DFADHM CCOc1cc2nccc(N[C@H](C)CC(=O)[O-])c2cc1OCC ZINC000416429293 295948320 /nfs/dbraw/zinc/94/83/20/295948320.db2.gz YCEURORUXCPSTI-LLVKDONJSA-N -1 3 318.373 2.729 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCC23CCCC3)cn1C ZINC000416467386 295949541 /nfs/dbraw/zinc/94/95/41/295949541.db2.gz BODIJVGGYPSGSB-LBPRGKRZSA-N -1 3 311.451 2.545 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)c1[O-] ZINC000151112864 283276048 /nfs/dbraw/zinc/27/60/48/283276048.db2.gz HUKUWJIBPRMVMZ-UHFFFAOYSA-N -1 3 310.353 2.581 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C2CCC2)c(Cl)c1Cl ZINC000416510027 295951613 /nfs/dbraw/zinc/95/16/13/295951613.db2.gz WFJKGSCNQQFHLW-UHFFFAOYSA-N -1 3 310.202 2.833 20 0 DFADHM COC(=O)c1ccnc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)c1 ZINC000151354071 283282229 /nfs/dbraw/zinc/28/22/29/283282229.db2.gz CWESZVZCUWVNJH-UHFFFAOYSA-N -1 3 323.352 2.895 20 0 DFADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000416523028 295952367 /nfs/dbraw/zinc/95/23/67/295952367.db2.gz CHSYOKCCOSIXNX-DTORHVGOSA-N -1 3 324.229 2.839 20 0 DFADHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000416529040 295952626 /nfs/dbraw/zinc/95/26/26/295952626.db2.gz PHEHPVRYAYRSKB-PHIMTYICSA-N -1 3 321.801 2.713 20 0 DFADHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)O1 ZINC000416534165 295952869 /nfs/dbraw/zinc/95/28/69/295952869.db2.gz KHCIONUNWOPWIK-BDAKNGLRSA-N -1 3 324.229 2.839 20 0 DFADHM Cc1ccoc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151548114 283288184 /nfs/dbraw/zinc/28/81/84/283288184.db2.gz HHGXPMDZZLYVQS-UHFFFAOYSA-N -1 3 310.147 2.986 20 0 DFADHM COC1CCC([N-]S(=O)(=O)c2cc(F)c(C)cc2F)CC1 ZINC000416540577 295953377 /nfs/dbraw/zinc/95/33/77/295953377.db2.gz HQLRVCIBSCNJBJ-UHFFFAOYSA-N -1 3 319.373 2.509 20 0 DFADHM COC1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000416546062 295953545 /nfs/dbraw/zinc/95/35/45/295953545.db2.gz RWHCJXLZCSDMBV-UHFFFAOYSA-N -1 3 321.801 2.715 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC2(C1)CCOCC2 ZINC000075540474 398809105 /nfs/dbraw/zinc/80/91/05/398809105.db2.gz ZQZJNSDDEUIWDU-UHFFFAOYSA-N -1 3 315.413 2.914 20 0 DFADHM O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(O)cc1[O-] ZINC000179409432 199030700 /nfs/dbraw/zinc/03/07/00/199030700.db2.gz LMOIKMZFTLDLHL-DTWKUNHWSA-N -1 3 303.280 2.949 20 0 DFADHM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000126606763 398814631 /nfs/dbraw/zinc/81/46/31/398814631.db2.gz PXTSIQYDONIGIB-MNOVXSKESA-N -1 3 315.373 2.518 20 0 DFADHM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1ccccn1 ZINC000152079280 283308769 /nfs/dbraw/zinc/30/87/69/283308769.db2.gz ZUVACXBKRFNYMH-CYBMUJFWSA-N -1 3 322.455 2.931 20 0 DFADHM COC1([C@H](C)[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCC1 ZINC000416624729 295959360 /nfs/dbraw/zinc/95/93/60/295959360.db2.gz ZYRISGSCTWLDBH-VIFPVBQESA-N -1 3 321.801 2.715 20 0 DFADHM Cc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccccc2)c([O-])c1 ZINC000594562214 398821581 /nfs/dbraw/zinc/82/15/81/398821581.db2.gz PVUXNSHPDZUCPZ-UHFFFAOYSA-N -1 3 312.369 2.848 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CC12CC2)c1cc(C(F)(F)F)ccc1F ZINC000416647957 295960515 /nfs/dbraw/zinc/96/05/15/295960515.db2.gz NWJARCFRUWPTKY-VIFPVBQESA-N -1 3 323.311 2.923 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCS1)c1ccc(F)cc1Cl ZINC000152294346 283316589 /nfs/dbraw/zinc/31/65/89/283316589.db2.gz OVHLUJZCLGHAAR-SECBINFHSA-N -1 3 309.815 2.653 20 0 DFADHM COc1c(C)cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1C ZINC000179818694 199083909 /nfs/dbraw/zinc/08/39/09/199083909.db2.gz DPIAOTSKSZBGAW-UHFFFAOYSA-N -1 3 314.267 2.701 20 0 DFADHM COc1c(C)cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1C ZINC000179818694 199083911 /nfs/dbraw/zinc/08/39/11/199083911.db2.gz DPIAOTSKSZBGAW-UHFFFAOYSA-N -1 3 314.267 2.701 20 0 DFADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000075943401 398829869 /nfs/dbraw/zinc/82/98/69/398829869.db2.gz MHCTUVSCHMQGMN-CQSZACIVSA-N -1 3 308.378 2.520 20 0 DFADHM CCN(C)C(=O)c1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129739794 398838785 /nfs/dbraw/zinc/83/87/85/398838785.db2.gz LFHYUCHIFLDDLN-UHFFFAOYSA-N -1 3 316.332 2.876 20 0 DFADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C)CO2 ZINC000152549517 283328453 /nfs/dbraw/zinc/32/84/53/283328453.db2.gz JMDHCIOINCTQPP-AWEZNQCLSA-N -1 3 321.373 2.855 20 0 DFADHM O=C1c2ccccc2C[C@H]1Sc1n[n-]c(-c2ccccn2)n1 ZINC000152807099 283340643 /nfs/dbraw/zinc/34/06/43/283340643.db2.gz MFRWGJDJMZKTLK-CYBMUJFWSA-N -1 3 308.366 2.766 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(F)cc2nccnc21 ZINC000132684852 398857653 /nfs/dbraw/zinc/85/76/53/398857653.db2.gz OSAWJIMICJAFPN-UHFFFAOYSA-N -1 3 315.279 2.544 20 0 DFADHM O=C(NCc1cc(-c2ccccc2)no1)c1ccc2n[n-]nc2c1 ZINC000052989984 398858597 /nfs/dbraw/zinc/85/85/97/398858597.db2.gz OOLZGGNSKIEPRX-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000594813392 398859171 /nfs/dbraw/zinc/85/91/71/398859171.db2.gz QRXPMPQSENGQQQ-SECBINFHSA-N -1 3 319.448 2.638 20 0 DFADHM C[C@@H](C[N-]S(=O)(=O)c1ccccn1)Sc1ccccc1 ZINC000133038515 398859710 /nfs/dbraw/zinc/85/97/10/398859710.db2.gz HGLWHIGGGITGRC-LBPRGKRZSA-N -1 3 308.428 2.541 20 0 DFADHM CC[C@@H](C)CC[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000594819646 398859773 /nfs/dbraw/zinc/85/97/73/398859773.db2.gz YOICDBOYUJBZLA-SECBINFHSA-N -1 3 319.448 2.558 20 0 DFADHM CSCC1(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000594820114 398859789 /nfs/dbraw/zinc/85/97/89/398859789.db2.gz QTGDEVCEEADUPY-UHFFFAOYSA-N -1 3 321.414 2.776 20 0 DFADHM CSCC1(CC[N-]S(=O)(=O)c2cc(C)cs2)CC1 ZINC000594820047 398859816 /nfs/dbraw/zinc/85/98/16/398859816.db2.gz ZANZMADARYIWTK-UHFFFAOYSA-N -1 3 305.490 2.868 20 0 DFADHM C[C@@]1(c2ccc(F)cc2F)[N-]C(=O)N(CCC(F)(F)F)C1=O ZINC000076424152 398856059 /nfs/dbraw/zinc/85/60/59/398856059.db2.gz UVCDUTJJXBJOGA-LBPRGKRZSA-N -1 3 322.233 2.684 20 0 DFADHM C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1cccc(F)c1F ZINC000153157460 283355483 /nfs/dbraw/zinc/35/54/83/283355483.db2.gz WXSHMRLDXYHSSW-QMMMGPOBSA-N -1 3 302.284 2.727 20 0 DFADHM O=S(=O)([N-][C@H]1CCc2ccccc21)c1ccc(F)cc1F ZINC000053700874 398880445 /nfs/dbraw/zinc/88/04/45/398880445.db2.gz BIASQHASNSSNCH-AWEZNQCLSA-N -1 3 309.337 2.931 20 0 DFADHM C[C@H](CCC(C)(C)C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000077037093 398880690 /nfs/dbraw/zinc/88/06/90/398880690.db2.gz PBOCGFFURVGEIB-SNVBAGLBSA-N -1 3 302.374 2.515 20 0 DFADHM CN(C)C(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153442589 283368401 /nfs/dbraw/zinc/36/84/01/283368401.db2.gz KOCSFDHRBCWMPX-UHFFFAOYSA-N -1 3 318.760 3.000 20 0 DFADHM CCc1nnsc1C(=O)[N-]c1cc(C)sc1C(=O)OC ZINC000598852221 398884547 /nfs/dbraw/zinc/88/45/47/398884547.db2.gz 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BJOWOCYFPHYBDU-VHSXEESVSA-N -1 3 310.279 2.874 20 0 DFADHM C[C@@H]1CN(Cc2cnc(-c3ccco3)s2)CC[C@H]1C(=O)[O-] ZINC000625970124 399704780 /nfs/dbraw/zinc/70/47/80/399704780.db2.gz ICNHBTBMPYOCAU-ZYHUDNBSSA-N -1 3 306.387 2.946 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000621164941 399705849 /nfs/dbraw/zinc/70/58/49/399705849.db2.gz KVMUYADBCGZKOJ-INIZCTEOSA-N -1 3 319.368 2.720 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2cnc(C)s2)c1 ZINC000632650221 399706881 /nfs/dbraw/zinc/70/68/81/399706881.db2.gz CJSSKYGGXIOTOQ-MRVPVSSYSA-N -1 3 302.446 2.861 20 0 DFADHM O=C([O-])c1occc1CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000625965269 399702748 /nfs/dbraw/zinc/70/27/48/399702748.db2.gz UTALVEWYDYUPAS-CQSZACIVSA-N -1 3 305.305 2.770 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)c([O-])c1 ZINC000621157715 399703240 /nfs/dbraw/zinc/70/32/40/399703240.db2.gz AWIFREFNJCFTNU-INIZCTEOSA-N -1 3 320.433 2.641 20 0 DFADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@H]2C)cc1Cl ZINC000632628463 399703978 /nfs/dbraw/zinc/70/39/78/399703978.db2.gz SQERSWCYVPZRIS-MUWHJKNJSA-N -1 3 310.202 2.689 20 0 DFADHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC000632631011 399704253 /nfs/dbraw/zinc/70/42/53/399704253.db2.gz SYVZVMAILVXNNJ-MFKMUULPSA-N -1 3 322.361 2.700 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000617464375 399708819 /nfs/dbraw/zinc/70/88/19/399708819.db2.gz VJUKXDISHPMCAS-OWCLPIDISA-N -1 3 315.413 2.504 20 0 DFADHM CO[C@@H](CS(=O)(=O)[N-]Cc1ccc(C)o1)C1CCCCC1 ZINC000632682655 399712984 /nfs/dbraw/zinc/71/29/84/399712984.db2.gz LKSXRDVAKIKFDR-HNNXBMFYSA-N -1 3 315.435 2.603 20 0 DFADHM CO[C@H](CS(=O)(=O)[N-]Cc1ccc(C)o1)C1CCCCC1 ZINC000632682656 399713050 /nfs/dbraw/zinc/71/30/50/399713050.db2.gz LKSXRDVAKIKFDR-OAHLLOKOSA-N -1 3 315.435 2.603 20 0 DFADHM O=c1ccc([C@H]2CCCN2Cc2cc([O-])ccc2Cl)n[nH]1 ZINC000625994593 399713344 /nfs/dbraw/zinc/71/33/44/399713344.db2.gz YDYOGGBQVPICLS-CQSZACIVSA-N -1 3 305.765 2.878 20 0 DFADHM O=C(N[C@H]1CCCSC1)c1cc([O-])cc(Br)c1 ZINC000625990817 399711279 /nfs/dbraw/zinc/71/12/79/399711279.db2.gz AILMYTXGDPPAHW-JTQLQIEISA-N -1 3 316.220 2.780 20 0 DFADHM Cc1nc(C)c(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC000088868654 542528873 /nfs/dbraw/zinc/52/88/73/542528873.db2.gz OLBJELMZYGEULU-CQSZACIVSA-N -1 3 302.399 2.944 20 0 DFADHM Cc1cc(CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)nn1C ZINC000089600748 542530621 /nfs/dbraw/zinc/53/06/21/542530621.db2.gz JGHWQAOPKSXYKT-UHFFFAOYSA-N -1 3 315.402 2.681 20 0 DFADHM C[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000632694393 399716495 /nfs/dbraw/zinc/71/64/95/399716495.db2.gz YSPQMKBIFKPLOE-VIFPVBQESA-N -1 3 322.352 2.957 20 0 DFADHM C[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000632693945 399716638 /nfs/dbraw/zinc/71/66/38/399716638.db2.gz QKVSISHOEVKZML-VIFPVBQESA-N -1 3 322.352 2.957 20 0 DFADHM [O-]c1ccc(F)c(CN2CCN(c3cccc(O)c3)CC2)c1F ZINC000295042403 224398383 /nfs/dbraw/zinc/39/83/83/224398383.db2.gz YLEKDWXULXEYGX-UHFFFAOYSA-N -1 3 320.339 2.698 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000632706111 399719203 /nfs/dbraw/zinc/71/92/03/399719203.db2.gz XDIBFKSYSPNFCM-TZMCWYRMSA-N -1 3 315.460 2.683 20 0 DFADHM CCCCCN(CCCOC)C(=O)/C=C\c1cncc([O-])c1 ZINC000492520396 299605394 /nfs/dbraw/zinc/60/53/94/299605394.db2.gz JDGHRXSLXFKOAB-FPLPWBNLSA-N -1 3 306.406 2.856 20 0 DFADHM COc1cc2c(c(CN3CC[C@H](C(=O)[O-])[C@H](C)C3)c1)O[C@H](C)C2 ZINC000629771016 399721577 /nfs/dbraw/zinc/72/15/77/399721577.db2.gz DSLFNCZYHIJSPN-HSMVNMDESA-N -1 3 319.401 2.561 20 0 DFADHM C[C@H]1CN(Cc2c(F)cccc2N2CCCC2)CC[C@H]1C(=O)[O-] ZINC000629771022 399721772 /nfs/dbraw/zinc/72/17/72/399721772.db2.gz DTJRTIZNUCDYRA-UONOGXRCSA-N -1 3 320.408 2.969 20 0 DFADHM C[C@@H]1CN(Cc2c(C3CC3)nc3sccn23)CC[C@H]1C(=O)[O-] ZINC000629771218 399722168 /nfs/dbraw/zinc/72/21/68/399722168.db2.gz GKDFOGZNMMWYAR-ZYHUDNBSSA-N -1 3 319.430 2.816 20 0 DFADHM COc1cc2c(c(CN3CC[C@H](C(=O)[O-])[C@@H](C)C3)c1)O[C@H](C)C2 ZINC000629771018 399722221 /nfs/dbraw/zinc/72/22/21/399722221.db2.gz DSLFNCZYHIJSPN-OZVIIMIRSA-N -1 3 319.401 2.561 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCc2cccnc21 ZINC000632728814 399724137 /nfs/dbraw/zinc/72/41/37/399724137.db2.gz DCEFYWAXIZRVCJ-CYBMUJFWSA-N -1 3 320.389 2.537 20 0 DFADHM CC1(C)C[C@@]1(CNC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000621219830 399725100 /nfs/dbraw/zinc/72/51/00/399725100.db2.gz LHYCZHHEURHEOV-MRXNPFEDSA-N -1 3 302.399 2.946 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc3nn[n-]c31)[C@@H](C)C2 ZINC000119140896 542570441 /nfs/dbraw/zinc/57/04/41/542570441.db2.gz NRLIODCUUALZEG-ZBEGNZNMSA-N -1 3 306.369 2.930 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc3[n-]nnc31)[C@@H](C)C2 ZINC000119140896 542570444 /nfs/dbraw/zinc/57/04/44/542570444.db2.gz NRLIODCUUALZEG-ZBEGNZNMSA-N -1 3 306.369 2.930 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc3n[n-]nc31)[C@@H](C)C2 ZINC000119140896 542570449 /nfs/dbraw/zinc/57/04/49/542570449.db2.gz NRLIODCUUALZEG-ZBEGNZNMSA-N -1 3 306.369 2.930 20 0 DFADHM COCCC1(CNC(=O)NCc2ccc([O-])c(F)c2)CCCC1 ZINC000121720894 195334593 /nfs/dbraw/zinc/33/45/93/195334593.db2.gz GLTKUVYEELMPPL-UHFFFAOYSA-N -1 3 324.396 2.927 20 0 DFADHM Cc1ccc([O-])c(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000121814259 195352553 /nfs/dbraw/zinc/35/25/53/195352553.db2.gz PLUKHXZZKVPJRM-KGLIPLIRSA-N -1 3 321.442 2.827 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1 ZINC000121913231 195373714 /nfs/dbraw/zinc/37/37/14/195373714.db2.gz WTHLGTURRPUNEB-UHFFFAOYSA-N -1 3 314.316 2.977 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(C(=O)NC2CC2)cc1 ZINC000125716735 195779215 /nfs/dbraw/zinc/77/92/15/195779215.db2.gz CNDOUUGCBJFUSJ-UHFFFAOYSA-N -1 3 314.316 2.676 20 0 DFADHM CCc1cc(=O)[n-]c(CSCc2c(C)nn(C)c2Cl)n1 ZINC000125626542 195770717 /nfs/dbraw/zinc/77/07/17/195770717.db2.gz RUXQYUTXFRGNTN-UHFFFAOYSA-N -1 3 312.826 2.873 20 0 DFADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1cccs1 ZINC000125683033 195775631 /nfs/dbraw/zinc/77/56/31/195775631.db2.gz ZPXFYYWLPBYCRN-UHFFFAOYSA-N -1 3 311.432 2.538 20 0 DFADHM O=C(/C=C/c1cccc(CO)c1)[N-]OCc1ccc(F)cc1 ZINC000492556751 299613797 /nfs/dbraw/zinc/61/37/97/299613797.db2.gz ZTZSPCXRYQBKAD-RMKNXTFCSA-N -1 3 301.317 2.579 20 0 DFADHM Cc1ccc(-c2nc(CSCCc3nnn[n-]3)co2)cc1 ZINC000603339897 399749164 /nfs/dbraw/zinc/74/91/64/399749164.db2.gz UODDQLHFQFCCIH-UHFFFAOYSA-N -1 3 301.375 2.639 20 0 DFADHM Cc1ccc(-c2nc(CSCCc3nn[n-]n3)co2)cc1 ZINC000603339897 399749169 /nfs/dbraw/zinc/74/91/69/399749169.db2.gz UODDQLHFQFCCIH-UHFFFAOYSA-N -1 3 301.375 2.639 20 0 DFADHM CCC[C@H](NC(=O)c1cc(=O)[n-]cn1)c1ccc(F)cc1F ZINC000626087442 399749669 /nfs/dbraw/zinc/74/96/69/399749669.db2.gz NWUGIPVMKSPJPH-LBPRGKRZSA-N -1 3 307.300 2.732 20 0 DFADHM O=S(=O)([N-]CC[C@@H]1CC1(F)F)c1ccc(Cl)c(F)c1 ZINC000621304908 399750285 /nfs/dbraw/zinc/75/02/85/399750285.db2.gz LATIIZKUHUZFIY-SSDOTTSWSA-N -1 3 313.728 2.803 20 0 DFADHM COc1cc(/C=C/C(=O)[N-]OCC(F)F)cc(Cl)c1OC ZINC000492581163 299618302 /nfs/dbraw/zinc/61/83/02/299618302.db2.gz LOYJVBQELHHJRT-ONEGZZNKSA-N -1 3 321.707 2.683 20 0 DFADHM O=C(/C=C/c1cc(F)c(F)c(F)c1)[N-]O[C@@H]1CCCCO1 ZINC000492592174 299620293 /nfs/dbraw/zinc/62/02/93/299620293.db2.gz IFQFJBHXJPBYAT-MUBLQREKSA-N -1 3 301.264 2.692 20 0 DFADHM CC[C@H](C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000617640116 399765336 /nfs/dbraw/zinc/76/53/36/399765336.db2.gz SZKLEYJQCXJCOX-DZGCQCFKSA-N -1 3 318.417 2.549 20 0 DFADHM CCO[C@@H](C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1)C(C)C ZINC000629963680 399771898 /nfs/dbraw/zinc/77/18/98/399771898.db2.gz VRSDXBYWLBLUFE-GFCCVEGCSA-N -1 3 324.331 2.750 20 0 DFADHM CCO[C@@H](C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1)C(C)C ZINC000629963680 399771905 /nfs/dbraw/zinc/77/19/05/399771905.db2.gz VRSDXBYWLBLUFE-GFCCVEGCSA-N -1 3 324.331 2.750 20 0 DFADHM CCO[C@@H](C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1)C(C)C ZINC000629963680 399771909 /nfs/dbraw/zinc/77/19/09/399771909.db2.gz VRSDXBYWLBLUFE-GFCCVEGCSA-N -1 3 324.331 2.750 20 0 DFADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])[C@H]1[C@@H]2COC[C@@H]21 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CCc1ccccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000155513859 542697031 /nfs/dbraw/zinc/69/70/31/542697031.db2.gz KVCIZZQWRBTVKD-UHFFFAOYSA-N -1 3 307.357 2.605 20 0 DFADHM CCc1ccccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000155513859 542697037 /nfs/dbraw/zinc/69/70/37/542697037.db2.gz KVCIZZQWRBTVKD-UHFFFAOYSA-N -1 3 307.357 2.605 20 0 DFADHM CSCc1ccccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424059490 296481412 /nfs/dbraw/zinc/48/14/12/296481412.db2.gz BCNGUAUDOBXOFF-UHFFFAOYSA-N -1 3 315.460 2.718 20 0 DFADHM COC(=O)c1cc([N-]C(=O)c2coc(C3CC3)n2)c(F)cc1F ZINC000613072322 399788481 /nfs/dbraw/zinc/78/84/81/399788481.db2.gz PDOWFYPNUHDYNM-UHFFFAOYSA-N -1 3 322.267 2.869 20 0 DFADHM COc1cc(C(=O)N2CCc3ccc(C)cc32)cc(OC)c1[O-] ZINC000163470206 542742646 /nfs/dbraw/zinc/74/26/46/542742646.db2.gz UYBHMHVOZHSRMH-UHFFFAOYSA-N -1 3 313.353 2.921 20 0 DFADHM O=C(c1cc(=O)[n-]cn1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000626205676 399794905 /nfs/dbraw/zinc/79/49/05/399794905.db2.gz LLIVFRVJEWWNLY-AWEZNQCLSA-N -1 3 319.311 2.828 20 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310.419 2.823 20 0 DFADHM N#Cc1c([N-]C(=O)c2coc3c2C(=O)CCC3)n[nH]c1C1CC1 ZINC000295186111 543030511 /nfs/dbraw/zinc/03/05/11/543030511.db2.gz CLEGIEVJZVNGEX-UHFFFAOYSA-N -1 3 310.313 2.523 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc2ccc(=O)[nH]c21 ZINC000348741591 285655221 /nfs/dbraw/zinc/65/52/21/285655221.db2.gz RFCTUKKKILTFQS-UHFFFAOYSA-N -1 3 312.300 2.715 20 0 DFADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)c1[O-] ZINC000633069808 399838034 /nfs/dbraw/zinc/83/80/34/399838034.db2.gz AUZFQTPEZDVYDX-UONOGXRCSA-N -1 3 303.358 2.596 20 0 DFADHM CCOc1ccccc1OCCN1CCC[C@H](CC(=O)[O-])C1 ZINC000316127737 543073012 /nfs/dbraw/zinc/07/30/12/543073012.db2.gz HBYMRRPWHXYJCO-CQSZACIVSA-N -1 3 307.390 2.651 20 0 DFADHM O=C(Nc1ccc2c(c1)OCCCO2)c1c([O-])cccc1O ZINC000317721369 543076315 /nfs/dbraw/zinc/07/63/15/543076315.db2.gz JUPLXQDMAOMTIN-UHFFFAOYSA-N -1 3 301.298 2.511 20 0 DFADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@H](CCO)C1 ZINC000318463884 543077136 /nfs/dbraw/zinc/07/71/36/543077136.db2.gz 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296528406 /nfs/dbraw/zinc/52/84/06/296528406.db2.gz STXUAFFBTDULMG-UHFFFAOYSA-N -1 3 324.380 2.873 20 0 DFADHM COc1cc(OC)c(OC)cc1/C=C/C(=O)[N-]OCCC1CC1 ZINC000492849102 299665675 /nfs/dbraw/zinc/66/56/75/299665675.db2.gz BFRMRZZVEXBUBD-VOTSOKGWSA-N -1 3 321.373 2.574 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)c(F)c1F ZINC000625115289 399847408 /nfs/dbraw/zinc/84/74/08/399847408.db2.gz LRRBSNMICGXRDK-LLVKDONJSA-N -1 3 319.373 2.511 20 0 DFADHM CC(C)C(=O)N1CCCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000625140884 399852518 /nfs/dbraw/zinc/85/25/18/399852518.db2.gz XESMYRTUEWPMFO-UHFFFAOYSA-N -1 3 310.825 2.736 20 0 DFADHM CC(C)c1nnc2n1CCN(Cc1cc([O-])ccc1Cl)C2 ZINC000625146210 399853510 /nfs/dbraw/zinc/85/35/10/399853510.db2.gz HGWMGIYUFUTFLO-UHFFFAOYSA-N -1 3 306.797 2.776 20 0 DFADHM COc1cccnc1C(=O)Nc1ccc([O-])c(COC(C)C)c1 ZINC000633128899 399852119 /nfs/dbraw/zinc/85/21/19/399852119.db2.gz TUPXVZYXTMMEMV-UHFFFAOYSA-N -1 3 316.357 2.973 20 0 DFADHM COC[C@H](NC(=O)c1cccc(C)c1[O-])c1cccc(OC)c1 ZINC000617972718 399854725 /nfs/dbraw/zinc/85/47/25/399854725.db2.gz WVSJXBOMAXTMKZ-INIZCTEOSA-N -1 3 315.369 2.827 20 0 DFADHM COc1ccc2c(c1)[C@@H](NC(=O)c1c(C)cccc1[O-])CCO2 ZINC000626479076 399860519 /nfs/dbraw/zinc/86/05/19/399860519.db2.gz KBZUVIUYMDSLLJ-AWEZNQCLSA-N -1 3 313.353 2.963 20 0 DFADHM COc1ccc(NC(=O)C(C)(C)COCC(F)F)c([O-])c1 ZINC000346334796 543178904 /nfs/dbraw/zinc/17/89/04/543178904.db2.gz KBIPLAFJAPESCM-UHFFFAOYSA-N -1 3 303.305 2.647 20 0 DFADHM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000344818064 543173961 /nfs/dbraw/zinc/17/39/61/543173961.db2.gz XSFUHVUJTQCBTF-VIFPVBQESA-N -1 3 308.325 2.567 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c(F)c1F ZINC000625222058 399864020 /nfs/dbraw/zinc/86/40/20/399864020.db2.gz PUVJOPOBIBMAKO-SNVBAGLBSA-N -1 3 321.414 2.695 20 0 DFADHM CCCN(C(=O)c1cc(=O)[n-]cn1)[C@@H]1CCCc2cccnc21 ZINC000626503719 399864287 /nfs/dbraw/zinc/86/42/87/399864287.db2.gz FYPBFRINNSFKEU-CQSZACIVSA-N -1 3 312.373 2.507 20 0 DFADHM O=C(c1cc(=O)[n-]cn1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000626514267 399865682 /nfs/dbraw/zinc/86/56/82/399865682.db2.gz SYSUCTOQZNTWQP-UXLLHSPISA-N -1 3 323.396 2.981 20 0 DFADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2C)o1 ZINC000625237535 399866192 /nfs/dbraw/zinc/86/61/92/399866192.db2.gz VAWYUSMOHRQXFA-UHFFFAOYSA-N -1 3 314.794 2.732 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)C)C2)c(F)c1F ZINC000625249190 399867558 /nfs/dbraw/zinc/86/75/58/399867558.db2.gz USNSDIUSKGJSOM-PHIMTYICSA-N -1 3 319.373 2.508 20 0 DFADHM [O-]c1ccc(CCCc2nc(C[C@@H]3CCCO3)no2)cc1F ZINC000350203514 543201583 /nfs/dbraw/zinc/20/15/83/543201583.db2.gz HRLLJUHYHHSLEE-LBPRGKRZSA-N -1 3 306.337 2.811 20 0 DFADHM COc1cc(NC(=O)/C=C\c2cncc([O-])c2)cc(OC)c1C ZINC000492897365 299674368 /nfs/dbraw/zinc/67/43/68/299674368.db2.gz RVQCKMKQIYYKPP-PLNGDYQASA-N -1 3 314.341 2.765 20 0 DFADHM C[C@@H](COCc1nc(-c2cc(=O)[n-]cn2)no1)c1ccccc1 ZINC000351434844 543219562 /nfs/dbraw/zinc/21/95/62/543219562.db2.gz BERCUZQPWPOCDQ-NSHDSACASA-N -1 3 312.329 2.553 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC(CC(F)F)C1 ZINC000425082290 296551450 /nfs/dbraw/zinc/55/14/50/296551450.db2.gz NTYJSICAWFDUBQ-UHFFFAOYSA-N -1 3 313.348 2.515 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@H]1CCSc2ccccc21 ZINC000349123296 285786087 /nfs/dbraw/zinc/78/60/87/285786087.db2.gz HHQJCSIOXCEWGK-LBPRGKRZSA-N -1 3 315.398 2.824 20 0 DFADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1ccno1 ZINC000351919835 543227541 /nfs/dbraw/zinc/22/75/41/543227541.db2.gz UJIBJTQRKZBDQH-UHFFFAOYSA-N -1 3 321.185 2.601 20 0 DFADHM CC(=O)CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C(C)C ZINC000633220199 399872815 /nfs/dbraw/zinc/87/28/15/399872815.db2.gz CTNOLOFWVDUOQU-UHFFFAOYSA-N -1 3 303.280 2.851 20 0 DFADHM O=C(NCC[C@@H](O)C(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000354890839 543245992 /nfs/dbraw/zinc/24/59/92/543245992.db2.gz BJRLBEUFBRWADH-CYBMUJFWSA-N -1 3 313.275 2.589 20 0 DFADHM COCCOC1CCC(C(=O)Nc2ccc(OC)cc2[O-])CC1 ZINC000356984049 543260412 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Cc1nc2ccccc2n1CCc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000360934346 543279526 /nfs/dbraw/zinc/27/95/26/543279526.db2.gz HKUQMPZALSUVIC-UHFFFAOYSA-N -1 3 320.352 2.942 20 0 DFADHM Cc1cccc(C[C@@H](CO)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000349371241 285850527 /nfs/dbraw/zinc/85/05/27/285850527.db2.gz YRNVIYPHEJDBSG-ZDUSSCGKSA-N -1 3 319.788 2.687 20 0 DFADHM Cc1cccnc1C(C)(C)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492959210 299687240 /nfs/dbraw/zinc/68/72/40/299687240.db2.gz UIOHVJGXEKGYIV-SREVYHEPSA-N -1 3 311.385 2.598 20 0 DFADHM CCCCO[C@@H]1C[C@@H](NC(=O)NCc2ncccc2[O-])C1(C)C ZINC000349457598 285867081 /nfs/dbraw/zinc/86/70/81/285867081.db2.gz JFLBHEVJZVHIJG-HUUCEWRRSA-N -1 3 321.421 2.570 20 0 DFADHM C[C@@H]1CN(Cc2ccc(F)c3cccnc23)CC[C@H]1C(=O)[O-] ZINC000390170334 543305906 /nfs/dbraw/zinc/30/59/06/543305906.db2.gz CHLKYWUDJRPVPC-DGCLKSJQSA-N -1 3 302.349 2.917 20 0 DFADHM C[C@H](c1ccccc1)N(C)C(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000391037952 543308119 /nfs/dbraw/zinc/30/81/19/543308119.db2.gz 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YBHZCFJMKMOPNH-LBPRGKRZSA-N -1 3 323.443 2.585 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(F)cc1F ZINC000351921712 286245223 /nfs/dbraw/zinc/24/52/23/286245223.db2.gz SXCXBRLBPGGGJU-ZDUSSCGKSA-N -1 3 301.314 2.987 20 0 DFADHM CN(Cc1nc(-c2cccnc2)no1)Cc1cc([O-])cc(F)c1 ZINC000352005594 286267584 /nfs/dbraw/zinc/26/75/84/286267584.db2.gz YWNHJJYKSMHPPR-UHFFFAOYSA-N -1 3 314.320 2.608 20 0 DFADHM CCOC(=O)c1scnc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000352009765 286268714 /nfs/dbraw/zinc/26/87/14/286268714.db2.gz YSWNEKNAYDHANQ-AATRIKPKSA-N -1 3 317.370 2.863 20 0 DFADHM Cc1nn(-c2ccccn2)c(C)c1C=Cc1nc(C)cc(=O)[n-]1 ZINC000352025009 286272655 /nfs/dbraw/zinc/27/26/55/286272655.db2.gz BPHARJGJWHYFBD-FPLPWBNLSA-N -1 3 307.357 2.859 20 0 DFADHM O=c1cc(C=Cc2cccc3c2OCO3)nc(-c2ccncc2)[n-]1 ZINC000352028766 286273774 /nfs/dbraw/zinc/27/37/74/286273774.db2.gz VYOCKUBSDZVITE-PLNGDYQASA-N -1 3 319.320 2.731 20 0 DFADHM Cc1cccc(OCCCNC(=O)c2csc(=O)[n-]2)c1C ZINC000352065733 286283888 /nfs/dbraw/zinc/28/38/88/286283888.db2.gz OPZPHZSAZBYLQF-UHFFFAOYSA-N -1 3 306.387 2.664 20 0 DFADHM COc1ccc(C(=O)N2Cc3ccccc3OC[C@@H]2C)c([O-])c1 ZINC000272980754 286284640 /nfs/dbraw/zinc/28/46/40/286284640.db2.gz QHKBZPUZOHAWNU-LBPRGKRZSA-N -1 3 313.353 2.824 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc(C)c2Cl)o1 ZINC000352081078 286287578 /nfs/dbraw/zinc/28/75/78/286287578.db2.gz CLZJFMDUQHQWLS-SNVBAGLBSA-N -1 3 314.794 2.984 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C)o1 ZINC000352095429 286290584 /nfs/dbraw/zinc/29/05/84/286290584.db2.gz RETWXMOSWYDHMI-SNVBAGLBSA-N -1 3 314.794 2.984 20 0 DFADHM O=C(Nc1ccc2c(c1)COC2)c1c[n-]nc1-c1ccncc1 ZINC000352131947 286300379 /nfs/dbraw/zinc/30/03/79/286300379.db2.gz WUKMQNABZUSZDB-UHFFFAOYSA-N -1 3 306.325 2.754 20 0 DFADHM O=C(Nc1ccc2c(c1)COC2)c1cn[n-]c1-c1ccncc1 ZINC000352131947 286300381 /nfs/dbraw/zinc/30/03/81/286300381.db2.gz WUKMQNABZUSZDB-UHFFFAOYSA-N -1 3 306.325 2.754 20 0 DFADHM C[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@H](C2CC2)O1 ZINC000352170095 286311024 /nfs/dbraw/zinc/31/10/24/286311024.db2.gz KOYKOYXEUAHQKV-YVEFUNNKSA-N -1 3 321.392 2.880 20 0 DFADHM CCc1cc(C(=O)N[C@@H]2COc3c(C)cccc3C2)ccc1[O-] ZINC000427983323 296674443 /nfs/dbraw/zinc/67/44/43/296674443.db2.gz FCFONASVXUMGJB-INIZCTEOSA-N -1 3 311.381 2.997 20 0 DFADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1sccc1Cl ZINC000352250648 286328745 /nfs/dbraw/zinc/32/87/45/286328745.db2.gz KHFDRHHIUHJQPH-UHFFFAOYSA-N -1 3 319.777 2.512 20 0 DFADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1sccc1Cl ZINC000352250648 286328746 /nfs/dbraw/zinc/32/87/46/286328746.db2.gz KHFDRHHIUHJQPH-UHFFFAOYSA-N -1 3 319.777 2.512 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)n1 ZINC000352433828 286372715 /nfs/dbraw/zinc/37/27/15/286372715.db2.gz YIKVMADFFFTVSN-GUTXKFCHSA-N -1 3 303.406 2.585 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-]C(C2CCC2)C2CCC2)s1 ZINC000352491947 286387251 /nfs/dbraw/zinc/38/72/51/286387251.db2.gz TZVPXYVEOHVFLR-UHFFFAOYSA-N -1 3 314.476 2.953 20 0 DFADHM CNC(=O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000352497063 286389049 /nfs/dbraw/zinc/38/90/49/286389049.db2.gz DJQOTFSDBXIIFT-UHFFFAOYSA-N -1 3 318.760 2.966 20 0 DFADHM Cc1ccc(C(C)C)c(OCC(=O)NCc2ncccc2[O-])c1 ZINC000352499139 286389391 /nfs/dbraw/zinc/38/93/91/286389391.db2.gz DKZBQZGBKIZKFF-UHFFFAOYSA-N -1 3 314.385 2.914 20 0 DFADHM CC(C)OCc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000352499400 286389714 /nfs/dbraw/zinc/38/97/14/286389714.db2.gz GICBTZXHEZJRNZ-UHFFFAOYSA-N -1 3 300.358 2.642 20 0 DFADHM C[C@H](Cc1ccc(Cl)cc1)C(=O)NCc1ncccc1[O-] ZINC000352511435 286393454 /nfs/dbraw/zinc/39/34/54/286393454.db2.gz XNUSGCYXYUKKOW-LLVKDONJSA-N -1 3 304.777 2.936 20 0 DFADHM O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ncccc1[O-] ZINC000352514802 286394539 /nfs/dbraw/zinc/39/45/39/286394539.db2.gz COKHDXJVBCZDSN-UHFFFAOYSA-N -1 3 322.364 2.881 20 0 DFADHM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ncccc1[O-] ZINC000352515934 286394731 /nfs/dbraw/zinc/39/47/31/286394731.db2.gz IYRJDUDXLZAKEZ-NSHDSACASA-N -1 3 304.777 2.936 20 0 DFADHM Cc1cc(C(=O)NCc2ncccc2[O-])nn1-c1ccc(C)cc1 ZINC000352506100 286391985 /nfs/dbraw/zinc/39/19/85/286391985.db2.gz DJBZYRAYXDRIAK-UHFFFAOYSA-N -1 3 322.368 2.520 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)[n-]c(=O)n1 ZINC000352529052 286399077 /nfs/dbraw/zinc/39/90/77/286399077.db2.gz ARVNPEKPPMJNIV-TZMCWYRMSA-N -1 3 315.348 2.696 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000352644209 286428765 /nfs/dbraw/zinc/42/87/65/286428765.db2.gz LZGKTGCLUBHSSN-UHFFFAOYSA-N -1 3 324.336 2.606 20 0 DFADHM COc1ccc([O-])c(C(=O)NC(C)(C)c2ccc(C)nc2)c1 ZINC000352754690 286458435 /nfs/dbraw/zinc/45/84/35/286458435.db2.gz UXOHNOBQEDHVHT-UHFFFAOYSA-N -1 3 300.358 2.769 20 0 DFADHM CN1CCc2ccc(NCc3c(F)ccc([O-])c3F)cc2C1=O ZINC000352796803 286470426 /nfs/dbraw/zinc/47/04/26/286470426.db2.gz VLZBXNWRORZYGA-UHFFFAOYSA-N -1 3 318.323 2.911 20 0 DFADHM Cn1nc(CCNCc2c(F)ccc([O-])c2F)c2ccccc21 ZINC000352962274 286514159 /nfs/dbraw/zinc/51/41/59/286514159.db2.gz LFUGAQVGSVZGBS-UHFFFAOYSA-N -1 3 317.339 2.889 20 0 DFADHM Cc1ccccc1[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccco1)N(C)C ZINC000353097550 286550667 /nfs/dbraw/zinc/55/06/67/286550667.db2.gz NTEDWWDLYVWGAG-CZUORRHYSA-N -1 3 322.430 2.558 20 0 DFADHM NC(=O)N1CCc2ccc(NCc3c(F)ccc([O-])c3F)cc21 ZINC000353228249 286584629 /nfs/dbraw/zinc/58/46/29/286584629.db2.gz BYCYEVFCHJGODL-UHFFFAOYSA-N -1 3 319.311 2.724 20 0 DFADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000353222582 286583066 /nfs/dbraw/zinc/58/30/66/286583066.db2.gz ZUEVSGHSEYPSMA-LBPRGKRZSA-N -1 3 323.389 2.744 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000493493973 299789457 /nfs/dbraw/zinc/78/94/57/299789457.db2.gz NFLMXGGGMSWATG-VSQXVHSFSA-N -1 3 314.307 2.991 20 0 DFADHM O=C(/C=C\c1sc2ccccc2c1Cl)[N-]OCCCO ZINC000493544904 299795273 /nfs/dbraw/zinc/79/52/73/299795273.db2.gz CCEAGHAAASVNLK-SREVYHEPSA-N -1 3 311.790 2.998 20 0 DFADHM CCc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc(=O)[nH]1 ZINC000182446933 158003780 /nfs/dbraw/zinc/00/37/80/158003780.db2.gz IJPUIBOQTOCHPM-UHFFFAOYSA-N -1 3 306.749 2.857 20 0 DFADHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cccc([O-])c1 ZINC000182548143 158005060 /nfs/dbraw/zinc/00/50/60/158005060.db2.gz HMXFNKPOCDPJFL-VERVWZFWSA-N -1 3 317.410 2.963 20 0 DFADHM CN(C(=O)Cc1ccc([O-])cc1Cl)c1ccc2c(c1)OCO2 ZINC000182907174 158009417 /nfs/dbraw/zinc/00/94/17/158009417.db2.gz WCTSZDXHDFLJFF-UHFFFAOYSA-N -1 3 319.744 2.980 20 0 DFADHM COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000182949491 158011390 /nfs/dbraw/zinc/01/13/90/158011390.db2.gz DRXYFLPSFSBSPH-KGLIPLIRSA-N -1 3 317.385 2.651 20 0 DFADHM CCc1nnsc1C(=O)[N-]c1csc(-c2ccncc2)n1 ZINC000185437535 158058513 /nfs/dbraw/zinc/05/85/13/158058513.db2.gz SSYPOZBAONLNNM-UHFFFAOYSA-N -1 3 317.399 2.871 20 0 DFADHM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1c([O-])cnc2ccccc21 ZINC000185486155 158059439 /nfs/dbraw/zinc/05/94/39/158059439.db2.gz BMJOOHDDJVBGTM-WBMJQRKESA-N -1 3 312.369 2.628 20 0 DFADHM O=C1[C@@H](NCc2cc([O-])cc(F)c2)CCN1c1ccccc1F ZINC000185532067 158061967 /nfs/dbraw/zinc/06/19/67/158061967.db2.gz RJDVXFVCZSKEMD-HNNXBMFYSA-N -1 3 318.323 2.566 20 0 DFADHM Cc1cc(/C=C\C(=O)[N-]O[C@H]2CCOC2)ccc1C(F)(F)F ZINC000493591514 299798292 /nfs/dbraw/zinc/79/82/92/299798292.db2.gz WHYMKSCYSXNMAK-FHMRSRPSSA-N -1 3 315.291 2.864 20 0 DFADHM O=C([N-]c1c(F)cccc1F)c1cn(Cc2ccccc2)nn1 ZINC000247525328 158142756 /nfs/dbraw/zinc/14/27/56/158142756.db2.gz ZCMZAVGFDCCJFM-UHFFFAOYSA-N -1 3 314.295 2.857 20 0 DFADHM [O-]c1cccc(CN2CCCC[C@H]2CN2CCOCC2)c1Cl ZINC000351309994 158228057 /nfs/dbraw/zinc/22/80/57/158228057.db2.gz YTTUDSPFYXGOPF-HNNXBMFYSA-N -1 3 324.852 2.732 20 0 DFADHM [O-]c1ccc(F)c(CNc2ccc(Cn3cncn3)cc2)c1F ZINC000351854324 158228887 /nfs/dbraw/zinc/22/88/87/158228887.db2.gz GKPYSEOPGZHAMD-UHFFFAOYSA-N -1 3 316.311 2.922 20 0 DFADHM Cc1cc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)ccc1[O-] ZINC000354600015 158238416 /nfs/dbraw/zinc/23/84/16/158238416.db2.gz DKDWBMAHMYZPKC-QGZVFWFLSA-N -1 3 313.353 2.620 20 0 DFADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)CCC(C)C)c1 ZINC000355195514 158295223 /nfs/dbraw/zinc/29/52/23/158295223.db2.gz CVKYHNIIQWJRSN-SNVBAGLBSA-N -1 3 319.448 2.638 20 0 DFADHM COc1ccc(C(=O)Nc2nc(C)ccc2[O-])c(OC(F)F)c1 ZINC000356945427 158329526 /nfs/dbraw/zinc/32/95/26/158329526.db2.gz XLHMJFUDRVVWPI-UHFFFAOYSA-N -1 3 324.283 2.958 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)c[n-]1 ZINC000357011202 158346944 /nfs/dbraw/zinc/34/69/44/158346944.db2.gz UEJMRQGLBCCXJP-NSHDSACASA-N -1 3 318.377 2.857 20 0 DFADHM CC[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(C)(C)C ZINC000357470107 158364951 /nfs/dbraw/zinc/36/49/51/158364951.db2.gz IGGDAFGIMXCGEF-CYBMUJFWSA-N -1 3 318.421 2.535 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H]2COc3c2ccc(C)c3C)o1 ZINC000358461184 158381115 /nfs/dbraw/zinc/38/11/15/158381115.db2.gz JITCARXZSGSALH-ZDUSSCGKSA-N -1 3 307.371 2.617 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)o1 ZINC000358464800 158382416 /nfs/dbraw/zinc/38/24/16/158382416.db2.gz OHKSNJJZJSWDQE-UHFFFAOYSA-N -1 3 322.361 2.729 20 0 DFADHM Cc1cccc(Oc2ccc(NC(=O)c3nc[n-]n3)cn2)c1C ZINC000358506640 158383471 /nfs/dbraw/zinc/38/34/71/158383471.db2.gz JMCBBRXLWIECQU-UHFFFAOYSA-N -1 3 309.329 2.861 20 0 DFADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cnc2N)c1 ZINC000358564387 158390060 /nfs/dbraw/zinc/39/00/60/158390060.db2.gz KAKKZZOPZRZDIW-UHFFFAOYSA-N -1 3 311.794 2.735 20 0 DFADHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccc(C)o2)cc1 ZINC000358590898 158391882 /nfs/dbraw/zinc/39/18/82/158391882.db2.gz MLSMTMNSFCXSLA-GFCCVEGCSA-N -1 3 323.414 2.754 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)o1 ZINC000358594021 158392295 /nfs/dbraw/zinc/39/22/95/158392295.db2.gz BURVPRTXUVCGFD-GDBMZVCRSA-N -1 3 321.398 2.644 20 0 DFADHM Cc1nc(C)c(CC(=O)NCC(C)(C)C2=CCCCC2)c(=O)[n-]1 ZINC000358664447 158395737 /nfs/dbraw/zinc/39/57/37/158395737.db2.gz TZCJWMIQEJTMCM-UHFFFAOYSA-N -1 3 317.433 2.984 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c(F)c1 ZINC000360256387 158451597 /nfs/dbraw/zinc/45/15/97/158451597.db2.gz GDRCBXJLQUPSAY-DZGCQCFKSA-N -1 3 321.373 2.669 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)c([O-])c1 ZINC000376804028 158904206 /nfs/dbraw/zinc/90/42/06/158904206.db2.gz ISRTZFGIIZVRTB-LBPRGKRZSA-N -1 3 314.389 2.510 20 0 DFADHM CSc1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000365536285 286725384 /nfs/dbraw/zinc/72/53/84/286725384.db2.gz TXGJKUIUNUWTHD-ZFWWWQNUSA-N -1 3 307.415 2.898 20 0 DFADHM O=C([O-])[C@H]1CCCN(CCOc2ccc(Cl)c(F)c2)C1 ZINC000455649737 298395891 /nfs/dbraw/zinc/39/58/91/298395891.db2.gz ZLPKNSXLKUFAGU-JTQLQIEISA-N -1 3 301.745 2.655 20 0 DFADHM CCCCCc1nnc([N-]C(=O)c2cc3n(n2)CCCO3)s1 ZINC000431473461 296835147 /nfs/dbraw/zinc/83/51/47/296835147.db2.gz SPPAFWOANRRHDP-UHFFFAOYSA-N -1 3 321.406 2.502 20 0 DFADHM Cc1oncc1CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000128972435 196008116 /nfs/dbraw/zinc/00/81/16/196008116.db2.gz NKMVFBHGLMZHCN-UHFFFAOYSA-N -1 3 315.373 2.539 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc2c(c1)CCCC2 ZINC000053525187 425887818 /nfs/dbraw/zinc/88/78/18/425887818.db2.gz HVTSTQJJYVBCPP-UHFFFAOYSA-N -1 3 319.368 2.998 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc2c(c1)CCCC2 ZINC000053525187 425887819 /nfs/dbraw/zinc/88/78/19/425887819.db2.gz HVTSTQJJYVBCPP-UHFFFAOYSA-N -1 3 319.368 2.998 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc2c(c1)CCCC2 ZINC000053525187 425887820 /nfs/dbraw/zinc/88/78/20/425887820.db2.gz HVTSTQJJYVBCPP-UHFFFAOYSA-N -1 3 319.368 2.998 20 0 DFADHM COC1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000132148579 196230773 /nfs/dbraw/zinc/23/07/73/196230773.db2.gz OFPGKRNFRBMRDR-UHFFFAOYSA-N -1 3 300.196 2.766 20 0 DFADHM C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132658608 196274537 /nfs/dbraw/zinc/27/45/37/196274537.db2.gz JLLRHRNIFNCDLD-QFYYESIMSA-N -1 3 301.317 2.712 20 0 DFADHM [O-]c1ccc(Br)c(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000132774217 196282128 /nfs/dbraw/zinc/28/21/28/196282128.db2.gz JBADFZMOCDTJER-KBPBESRZSA-N -1 3 312.207 2.908 20 0 DFADHM COc1cc(C(=O)N2CCC[C@H]2C2CCC2)cc(OC)c1[O-] ZINC000133014098 196304675 /nfs/dbraw/zinc/30/46/75/196304675.db2.gz IDQIEYSWPRCYEA-ZDUSSCGKSA-N -1 3 305.374 2.814 20 0 DFADHM CC[C@H](Nc1nc2nncc-2c(O)[n-]1)c1cccc(Cl)c1 ZINC000133010872 196304837 /nfs/dbraw/zinc/30/48/37/196304837.db2.gz NWNFXUKUIHUFLY-NSHDSACASA-N -1 3 303.753 2.863 20 0 DFADHM CCc1nc(CNC(=O)Cc2ccc([O-])cc2Cl)cs1 ZINC000133867549 196341098 /nfs/dbraw/zinc/34/10/98/196341098.db2.gz KXIGEKUYNRDIEK-UHFFFAOYSA-N -1 3 310.806 2.923 20 0 DFADHM CS[C@H](C)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000133930727 196346878 /nfs/dbraw/zinc/34/68/78/196346878.db2.gz STCNWTBUXOZVNP-MRVPVSSYSA-N -1 3 318.236 2.913 20 0 DFADHM CCNC(=O)CCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134179850 196368485 /nfs/dbraw/zinc/36/84/85/196368485.db2.gz RUHJDDLGWCOTOZ-UHFFFAOYSA-N -1 3 318.295 2.656 20 0 DFADHM O=S(=O)([N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cccs1 ZINC000134467571 196393556 /nfs/dbraw/zinc/39/35/56/196393556.db2.gz MPAUACDHNWOCTI-GUTXKFCHSA-N -1 3 305.424 2.612 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N[C@H]1CC=CCC1 ZINC000433355899 296908698 /nfs/dbraw/zinc/90/86/98/296908698.db2.gz QQAKVXHVUHICTE-LBPRGKRZSA-N -1 3 310.191 2.922 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@](C)(F)C1 ZINC000295597898 225027633 /nfs/dbraw/zinc/02/76/33/225027633.db2.gz IHVMGSNJRPLDRB-MRXNPFEDSA-N -1 3 309.385 2.752 20 0 DFADHM C[C@@H]1CCCN(Cc2cc(Cl)cc3c2OCC3)[C@H]1C(=O)[O-] ZINC000300291557 287355075 /nfs/dbraw/zinc/35/50/75/287355075.db2.gz BEHWDNFENFOEEH-QMTHXVAHSA-N -1 3 309.793 2.960 20 0 DFADHM CCc1cc(C(=O)N[C@H](CO)[C@H](C)c2ccccc2)ccc1[O-] ZINC000667975567 543716025 /nfs/dbraw/zinc/71/60/25/543716025.db2.gz CQZBVAXBOWQQPI-CXAGYDPISA-N -1 3 313.397 2.849 20 0 DFADHM CCOc1cc(CN2CC[C@H](O)C(F)(F)C2)cc(Cl)c1[O-] ZINC000668498421 543815616 /nfs/dbraw/zinc/81/56/16/543815616.db2.gz 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318.732 2.955 20 0 DFADHM O=C(Nc1ccc(-c2cnco2)cc1)c1ccc2n[n-]nc2c1 ZINC000194665413 268111810 /nfs/dbraw/zinc/11/18/10/268111810.db2.gz AEKHXAILFRSMKS-UHFFFAOYSA-N -1 3 305.297 2.865 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1c[n-]c2ccccc2c1=O ZINC000194973714 268123233 /nfs/dbraw/zinc/12/32/33/268123233.db2.gz VMEGYIIHCDEJJF-WMLDXEAASA-N -1 3 322.339 2.953 20 0 DFADHM CN(CCCC(=O)Nc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000195305483 268132431 /nfs/dbraw/zinc/13/24/31/268132431.db2.gz DISODKDBUXZUAY-UHFFFAOYSA-N -1 3 308.378 2.978 20 0 DFADHM Cc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc32)c([O-])c1 ZINC000195537794 268137587 /nfs/dbraw/zinc/13/75/87/268137587.db2.gz OJVFZKWPUSSLFH-CQSZACIVSA-N -1 3 310.397 2.882 20 0 DFADHM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000266884819 268178256 /nfs/dbraw/zinc/17/82/56/268178256.db2.gz CXFLQCUMJZPPRE-MRXNPFEDSA-N -1 3 309.373 2.664 20 0 DFADHM CCCc1nnc([N-]C(=O)c2sc3nccn3c2C)s1 ZINC000270687925 268201233 /nfs/dbraw/zinc/20/12/33/268201233.db2.gz 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Cc1cccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1[O-] ZINC000303004526 268325441 /nfs/dbraw/zinc/32/54/41/268325441.db2.gz ZDTXHYMWPYVQHR-OAHLLOKOSA-N -1 3 324.424 2.877 20 0 DFADHM COCC1(c2noc(-c3cccc(OC)c3[O-])n2)CCCC1 ZINC000312984804 268337904 /nfs/dbraw/zinc/33/79/04/268337904.db2.gz YDHMZHOGPRIPQO-UHFFFAOYSA-N -1 3 304.346 2.909 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)[C@@H](O)CC ZINC000313171747 268339290 /nfs/dbraw/zinc/33/92/90/268339290.db2.gz WMOIOKKNGFBFMW-BDAKNGLRSA-N -1 3 311.856 2.538 20 0 DFADHM COc1cc(CN2CCC[C@H](C(=O)[O-])C2)ccc1OC(F)F ZINC000314276302 268341000 /nfs/dbraw/zinc/34/10/00/268341000.db2.gz VJSAQUIBNFXGGO-NSHDSACASA-N -1 3 315.316 2.593 20 0 DFADHM CC1(C)COC[C@@H]1NCc1cccc([O-])c1Br ZINC000315066099 268341998 /nfs/dbraw/zinc/34/19/98/268341998.db2.gz VVZONVGYZBAOHQ-NSHDSACASA-N -1 3 300.196 2.669 20 0 DFADHM [O-]c1cccc(CN[C@@H]2CCC[C@@H](CO)C2)c1Br ZINC000315307862 268342961 /nfs/dbraw/zinc/34/29/61/268342961.db2.gz GFOCHQWHVHLXMC-ZYHUDNBSSA-N -1 3 314.223 2.795 20 0 DFADHM [O-]c1cccc(CN2CCC[C@@]23CCOC3)c1Br ZINC000315552060 268343157 /nfs/dbraw/zinc/34/31/57/268343157.db2.gz BUCJNNRMMQHPFO-AWEZNQCLSA-N -1 3 312.207 2.910 20 0 DFADHM C[C@H]1OCCN(Cc2cccc([O-])c2Br)[C@H]1C ZINC000315488576 268343217 /nfs/dbraw/zinc/34/32/17/268343217.db2.gz WVVUNQDWVGENRT-VHSXEESVSA-N -1 3 300.196 2.764 20 0 DFADHM CN(Cc1nccn1C)Cc1cccc([O-])c1Br ZINC000315300042 268343306 /nfs/dbraw/zinc/34/33/06/268343306.db2.gz RAGCTIJDAMEOIB-UHFFFAOYSA-N -1 3 310.195 2.520 20 0 DFADHM [O-]c1cccc(CNC[C@H]2CCCOC2)c1Br ZINC000315287904 268343336 /nfs/dbraw/zinc/34/33/36/268343336.db2.gz CWXRHZBRTDTJFQ-SNVBAGLBSA-N -1 3 300.196 2.671 20 0 DFADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)CCCO1 ZINC000315726643 268344266 /nfs/dbraw/zinc/34/42/66/268344266.db2.gz WAWDPWCREZVONQ-SNVBAGLBSA-N -1 3 300.196 2.766 20 0 DFADHM Cc1sc(=O)n(CC(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000048925473 425877887 /nfs/dbraw/zinc/87/78/87/425877887.db2.gz SLPHHXUNXGHANE-UHFFFAOYSA-N -1 3 312.778 2.524 20 0 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ZINC000116377114 426188090 /nfs/dbraw/zinc/18/80/90/426188090.db2.gz XMXKDVVLQSRYGV-UHFFFAOYSA-N -1 3 314.407 2.804 20 0 DFADHM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)CCOC(C)C ZINC000134679969 426191879 /nfs/dbraw/zinc/19/18/79/426191879.db2.gz FWBAFOPQTKMDMM-UHFFFAOYSA-N -1 3 324.402 2.817 20 0 DFADHM COc1cccc(C(=O)N2CCOC[C@@H]2c2ccc(C)o2)c1[O-] ZINC000116702289 426195117 /nfs/dbraw/zinc/19/51/17/426195117.db2.gz FWHZUGDSBABQIU-CYBMUJFWSA-N -1 3 317.341 2.516 20 0 DFADHM CC(C)CCO[C@@H](C)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117736580 426221893 /nfs/dbraw/zinc/22/18/93/426221893.db2.gz IENDEOOYZGHAFB-AWEZNQCLSA-N -1 3 316.405 2.716 20 0 DFADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccc(=O)[nH]c1 ZINC000081459921 426222537 /nfs/dbraw/zinc/22/25/37/426222537.db2.gz LSWYBGDKHCSTCE-UHFFFAOYSA-N -1 3 320.348 2.924 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)Cc1ccccc1F)c1nccs1 ZINC000172609163 426229158 /nfs/dbraw/zinc/22/91/58/426229158.db2.gz JHASGSKAEGCZIW-GFCCVEGCSA-N -1 3 314.407 2.853 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1CSc2ccccc21 ZINC000118329613 426233131 /nfs/dbraw/zinc/23/31/31/426233131.db2.gz OCYUBJKGODHVLV-JTQLQIEISA-N -1 3 312.354 2.893 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1CSc2ccccc21 ZINC000118329613 426233134 /nfs/dbraw/zinc/23/31/34/426233134.db2.gz OCYUBJKGODHVLV-JTQLQIEISA-N -1 3 312.354 2.893 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CSc2ccccc21 ZINC000118329613 426233138 /nfs/dbraw/zinc/23/31/38/426233138.db2.gz OCYUBJKGODHVLV-JTQLQIEISA-N -1 3 312.354 2.893 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1CSc2ccccc21 ZINC000118318624 426233514 /nfs/dbraw/zinc/23/35/14/426233514.db2.gz LVUIBTVVJNPQMA-ZETCQYMHSA-N -1 3 314.292 2.652 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1CSc2ccccc21 ZINC000118318624 426233516 /nfs/dbraw/zinc/23/35/16/426233516.db2.gz LVUIBTVVJNPQMA-ZETCQYMHSA-N -1 3 314.292 2.652 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N(CCC(F)(F)F)CC1CC1 ZINC000084373125 426237850 /nfs/dbraw/zinc/23/78/50/426237850.db2.gz FSNPHQQRLHFBLB-UHFFFAOYSA-N -1 3 312.295 2.763 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cnn(CC(F)F)c1 ZINC000136286224 426238672 /nfs/dbraw/zinc/23/86/72/426238672.db2.gz BCFBLECMURXMAM-UHFFFAOYSA-N -1 3 315.707 2.688 20 0 DFADHM C[C@H](COc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000084640530 426242235 /nfs/dbraw/zinc/24/22/35/426242235.db2.gz KEELMUANEFAMFW-GFCCVEGCSA-N -1 3 323.356 2.520 20 0 DFADHM C[C@H](COc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000084640530 426242239 /nfs/dbraw/zinc/24/22/39/426242239.db2.gz KEELMUANEFAMFW-GFCCVEGCSA-N -1 3 323.356 2.520 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000137045834 426250049 /nfs/dbraw/zinc/25/00/49/426250049.db2.gz HNDYOUOTRRXTHJ-ZDUSSCGKSA-N -1 3 319.401 2.895 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCOC1 ZINC000085586659 426252828 /nfs/dbraw/zinc/25/28/28/426252828.db2.gz UAZYQAHOPHYNMJ-MRVPVSSYSA-N -1 3 300.152 2.520 20 0 DFADHM C[C@H](CNC(=O)c1ccc2n[n-]nc2c1)c1ccc(F)cc1F ZINC000174347549 426253612 /nfs/dbraw/zinc/25/36/12/426253612.db2.gz LAFBQDHLQULDFM-SECBINFHSA-N -1 3 316.311 2.770 20 0 DFADHM C[C@@H](CNC(=O)c1ccc2n[n-]nc2c1)c1ccc(F)cc1F ZINC000174347539 426253648 /nfs/dbraw/zinc/25/36/48/426253648.db2.gz LAFBQDHLQULDFM-VIFPVBQESA-N -1 3 316.311 2.770 20 0 DFADHM CC[C@@H]1CCCC[C@H]1NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000118989775 426254393 /nfs/dbraw/zinc/25/43/93/426254393.db2.gz ANYYRTIBLHITJU-CHWSQXEVSA-N -1 3 321.446 2.567 20 0 DFADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[N-]C(=O)C(F)(F)F ZINC000174382352 426255572 /nfs/dbraw/zinc/25/55/72/426255572.db2.gz HHVCBJFQJCBBKF-ZJUUUORDSA-N -1 3 324.343 2.748 20 0 DFADHM O=S(=O)([N-]CC1(O)CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000087041585 426263875 /nfs/dbraw/zinc/26/38/75/426263875.db2.gz AGBWUWKWNCPPRB-UHFFFAOYSA-N -1 3 324.229 2.577 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)cc2nccnc21 ZINC000174869718 426267157 /nfs/dbraw/zinc/26/71/57/426267157.db2.gz PCCYGWMHXKYELX-UHFFFAOYSA-N -1 3 301.252 2.866 20 0 DFADHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000119160775 426267587 /nfs/dbraw/zinc/26/75/87/426267587.db2.gz LCACZJLLKJCDSD-GFCCVEGCSA-N -1 3 323.817 2.555 20 0 DFADHM CC(C)Oc1cccnc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000080029619 426209714 /nfs/dbraw/zinc/20/97/14/426209714.db2.gz JOZFDLFMVDSHHV-UHFFFAOYSA-N -1 3 304.321 2.644 20 0 DFADHM Cn1nccc1[C@H]1OCC[C@@H]1CNCc1cccc([O-])c1Cl ZINC000339366335 268799109 /nfs/dbraw/zinc/79/91/09/268799109.db2.gz MMEGFUAQVMKFOQ-WBMJQRKESA-N -1 3 321.808 2.647 20 0 DFADHM CC(C)C1CCC(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000119482353 426292276 /nfs/dbraw/zinc/29/22/76/426292276.db2.gz YDMDZZXCXCIISF-UHFFFAOYSA-N -1 3 314.385 2.515 20 0 DFADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000175272661 426293344 /nfs/dbraw/zinc/29/33/44/426293344.db2.gz JLHVIAHIAUMOAI-RYUDHWBXSA-N -1 3 321.414 2.917 20 0 DFADHM COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000175277247 426293578 /nfs/dbraw/zinc/29/35/78/426293578.db2.gz RRKWWZMTFYRRJN-GFCCVEGCSA-N -1 3 315.369 2.810 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)n[n-]1 ZINC000119525246 426294303 /nfs/dbraw/zinc/29/43/03/426294303.db2.gz IZGVCINXJWSGQX-QWHCGFSZSA-N -1 3 313.405 2.965 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)[n-]n1 ZINC000119525246 426294306 /nfs/dbraw/zinc/29/43/06/426294306.db2.gz IZGVCINXJWSGQX-QWHCGFSZSA-N -1 3 313.405 2.965 20 0 DFADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1-n1cccn1 ZINC000151451291 426296563 /nfs/dbraw/zinc/29/65/63/426296563.db2.gz LSGCIMWNMRZZAI-GFCCVEGCSA-N -1 3 323.352 2.775 20 0 DFADHM COC[C@H]([N-]S(=O)(=O)c1cccc(C)c1)c1ccc(C)o1 ZINC000175347275 426299218 /nfs/dbraw/zinc/29/92/18/426299218.db2.gz XUGUAZAWTZTHDK-AWEZNQCLSA-N -1 3 309.387 2.562 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1C)c1ccco1 ZINC000175358893 426299366 /nfs/dbraw/zinc/29/93/66/426299366.db2.gz GVAQPZGDZHRWMI-CYBMUJFWSA-N -1 3 309.387 2.562 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCc3ccc(F)cc3C2)c1 ZINC000151561913 426301484 /nfs/dbraw/zinc/30/14/84/426301484.db2.gz AIPWFYSFZMZQIP-UHFFFAOYSA-N -1 3 301.317 2.738 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)C1[C@@H]2CCC[C@H]12 ZINC000151578820 426302840 /nfs/dbraw/zinc/30/28/40/426302840.db2.gz PPXNPENHGCRFJX-HWYHXSKPSA-N -1 3 310.191 2.817 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@H]2CCCO[C@H]2C(C)C)c1 ZINC000175462041 426307397 /nfs/dbraw/zinc/30/73/97/426307397.db2.gz NJCAMSCOGUYWOY-WBMJQRKESA-N -1 3 307.390 2.582 20 0 DFADHM CC(C)C[C@@H]1COCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000151702786 426308573 /nfs/dbraw/zinc/30/85/73/426308573.db2.gz NADGIQNQYMOKJY-CYBMUJFWSA-N -1 3 311.809 2.862 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1c1ccccc1 ZINC000120296876 426309068 /nfs/dbraw/zinc/30/90/68/426309068.db2.gz KJFOUSVIYLMKLG-CHWSQXEVSA-N -1 3 323.439 2.839 20 0 DFADHM CCO[C@H]1C[C@@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1(C)C ZINC000120668198 426313835 /nfs/dbraw/zinc/31/38/35/426313835.db2.gz IIGKXKCYWADIQD-NEPJUHHUSA-N -1 3 321.446 2.620 20 0 DFADHM Cc1cncc(C[N-]S(=O)(=O)c2cccc3c2N=S=N3)c1 ZINC000120856526 426316846 /nfs/dbraw/zinc/31/68/46/426316846.db2.gz MHGNETWRWGBTPY-UHFFFAOYSA-N -1 3 320.399 2.595 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCC(OCC2CCCC2)CC1 ZINC000175619801 426318417 /nfs/dbraw/zinc/31/84/17/426318417.db2.gz NXDQZFACRGUNDB-UHFFFAOYSA-N -1 3 319.401 2.909 20 0 DFADHM CC(C)C(=O)Nc1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000175845126 426333458 /nfs/dbraw/zinc/33/34/58/426333458.db2.gz NSNYRRCLMMDOHX-UHFFFAOYSA-N -1 3 320.286 2.798 20 0 DFADHM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000088469649 426275815 /nfs/dbraw/zinc/27/58/15/426275815.db2.gz QRHOYSNUXVOPNI-LLVKDONJSA-N -1 3 318.323 2.679 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccc3scnc3c2)c[n-]1 ZINC000339689819 268866110 /nfs/dbraw/zinc/86/61/10/268866110.db2.gz VCSZHQLMGXWRNC-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM CCc1nc(C2(NC(=O)c3ccccc3[O-])CCCC2)no1 ZINC000175122595 426280275 /nfs/dbraw/zinc/28/02/75/426280275.db2.gz HYVFWWGCCVBTKK-UHFFFAOYSA-N -1 3 301.346 2.537 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)CCc2ccc(F)cc2)n[n-]1 ZINC000119338738 426280865 /nfs/dbraw/zinc/28/08/65/426280865.db2.gz YUQWOGTZARWGHL-UHFFFAOYSA-N -1 3 313.336 2.521 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)CCc2ccc(F)cc2)[n-]n1 ZINC000119338738 426280866 /nfs/dbraw/zinc/28/08/66/426280866.db2.gz YUQWOGTZARWGHL-UHFFFAOYSA-N -1 3 313.336 2.521 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c1 ZINC000119410334 426286681 /nfs/dbraw/zinc/28/66/81/426286681.db2.gz CYFGJXNWTDCFFQ-NWDGAFQWSA-N -1 3 304.390 2.859 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000122821413 426396626 /nfs/dbraw/zinc/39/66/26/426396626.db2.gz OCMIFRKHDYPVGD-IUODEOHRSA-N -1 3 302.374 2.755 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2ccc(C)cc2OC)c1 ZINC000153638087 426396758 /nfs/dbraw/zinc/39/67/58/426396758.db2.gz JMQSIFXJZZRGDY-UHFFFAOYSA-N -1 3 301.342 2.648 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2cccc([C@H](C)OC)c2)c[n-]1 ZINC000339762008 268883104 /nfs/dbraw/zinc/88/31/04/268883104.db2.gz VYOXEOORALZGLM-JTQLQIEISA-N -1 3 302.330 2.761 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]CCCc1ccccc1 ZINC000153690068 426400067 /nfs/dbraw/zinc/40/00/67/426400067.db2.gz IACHMRMHLPSBHH-UHFFFAOYSA-N -1 3 311.428 2.668 20 0 DFADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000176671756 426403768 /nfs/dbraw/zinc/40/37/68/426403768.db2.gz AFFWBWXECOCBQB-YGRLFVJLSA-N -1 3 314.385 2.515 20 0 DFADHM CCc1ccc(C=CC(=O)Nc2nc(-c3ccccn3)n[n-]2)o1 ZINC000122967189 426406906 /nfs/dbraw/zinc/40/69/06/426406906.db2.gz GWTSRCYJWWQBBY-CMDGGOBGSA-N -1 3 309.329 2.674 20 0 DFADHM CCc1ccc(C=CC(=O)Nc2n[n-]c(-c3ccccn3)n2)o1 ZINC000122967189 426406909 /nfs/dbraw/zinc/40/69/09/426406909.db2.gz GWTSRCYJWWQBBY-CMDGGOBGSA-N -1 3 309.329 2.674 20 0 DFADHM Cc1cccc(OC[C@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000092119813 426347026 /nfs/dbraw/zinc/34/70/26/426347026.db2.gz WBFRFAFCEGUYFJ-LBPRGKRZSA-N -1 3 301.342 2.604 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000176051133 426348365 /nfs/dbraw/zinc/34/83/65/426348365.db2.gz WOWUMOGFLXIQLZ-UHFFFAOYSA-N -1 3 314.128 2.755 20 0 DFADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1cccc(-n2cccn2)c1 ZINC000092123673 426348441 /nfs/dbraw/zinc/34/84/41/426348441.db2.gz ZNEWDPXCHRPRCP-LBPRGKRZSA-N -1 3 323.352 2.775 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc2ccccc2s1 ZINC000176054820 426348521 /nfs/dbraw/zinc/34/85/21/426348521.db2.gz XGHWBCUBXLKAJD-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM CCc1cc(=O)[n-]c(CN(C[C@H]2CCCO2)C2CCCC2)n1 ZINC000121533577 426349012 /nfs/dbraw/zinc/34/90/12/426349012.db2.gz ZOYUQGGLMYGBFL-OAHLLOKOSA-N -1 3 305.422 2.668 20 0 DFADHM Cc1cccc(C(=O)NCc2cn3cc(Cl)ccc3n2)c1[O-] ZINC000121850569 426353695 /nfs/dbraw/zinc/35/36/95/426353695.db2.gz WBDYSTYWUSBULS-UHFFFAOYSA-N -1 3 315.760 2.932 20 0 DFADHM CCN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000093900088 426359663 /nfs/dbraw/zinc/35/96/63/426359663.db2.gz IBCVACYKYIHHRT-UHFFFAOYSA-N -1 3 324.424 2.761 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)c([O-])c1 ZINC000093964927 426359828 /nfs/dbraw/zinc/35/98/28/426359828.db2.gz GNOAJPCHXRXRBJ-NSHDSACASA-N -1 3 313.357 2.682 20 0 DFADHM CC(C)[C@H](NC(=O)c1c[n-]nn1)c1ccc(C(F)(F)F)cc1 ZINC000153083159 426369096 /nfs/dbraw/zinc/36/90/96/426369096.db2.gz LUSCGCJDFBHEAG-LBPRGKRZSA-N -1 3 312.295 2.951 20 0 DFADHM CC(C)[C@H](NC(=O)c1cnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000153083159 426369098 /nfs/dbraw/zinc/36/90/98/426369098.db2.gz LUSCGCJDFBHEAG-LBPRGKRZSA-N -1 3 312.295 2.951 20 0 DFADHM CC(C)[C@H](NC(=O)c1cn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000153083159 426369101 /nfs/dbraw/zinc/36/91/01/426369101.db2.gz LUSCGCJDFBHEAG-LBPRGKRZSA-N -1 3 312.295 2.951 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccnc1 ZINC000153775469 426405955 /nfs/dbraw/zinc/40/59/55/426405955.db2.gz CXHYHMZITDLPOV-UHFFFAOYSA-N -1 3 322.162 2.871 20 0 DFADHM CCc1ccc(C=CC(=O)Nc2nnc(-c3ccccn3)[n-]2)o1 ZINC000122967189 426406904 /nfs/dbraw/zinc/40/69/04/426406904.db2.gz GWTSRCYJWWQBBY-CMDGGOBGSA-N -1 3 309.329 2.674 20 0 DFADHM CCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@@H]1CCCC[C@@H]1C ZINC000340130470 268942641 /nfs/dbraw/zinc/94/26/41/268942641.db2.gz FIXCSJMBGVEVBC-XHDPSFHLSA-N -1 3 305.422 2.769 20 0 DFADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000122648873 426385792 /nfs/dbraw/zinc/38/57/92/426385792.db2.gz FODQWWCRZAZOQR-ZJUUUORDSA-N -1 3 319.448 2.638 20 0 DFADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000122660266 426387263 /nfs/dbraw/zinc/38/72/63/426387263.db2.gz MJYJNSGOZSWZNE-VIFPVBQESA-N -1 3 316.292 2.610 20 0 DFADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000122660266 426387264 /nfs/dbraw/zinc/38/72/64/426387264.db2.gz MJYJNSGOZSWZNE-VIFPVBQESA-N -1 3 316.292 2.610 20 0 DFADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000122660266 426387266 /nfs/dbraw/zinc/38/72/66/426387266.db2.gz MJYJNSGOZSWZNE-VIFPVBQESA-N -1 3 316.292 2.610 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](CC(C)C)C2)c1 ZINC000122976897 426406505 /nfs/dbraw/zinc/40/65/05/426406505.db2.gz WCTMBHLUSLMUFH-CYBMUJFWSA-N -1 3 304.390 2.859 20 0 DFADHM CCN(CC)Cc1cccc([N-]S(=O)(=O)c2cccnc2)c1 ZINC000153832730 426409520 /nfs/dbraw/zinc/40/95/20/426409520.db2.gz VMBXHOGJVHMRDE-UHFFFAOYSA-N -1 3 319.430 2.724 20 0 DFADHM COc1cc(C(=O)N2CCC3(CCCC3)C2)cc(OC)c1[O-] ZINC000123033672 426410010 /nfs/dbraw/zinc/41/00/10/426410010.db2.gz VRFNEUUTWVANLY-UHFFFAOYSA-N -1 3 305.374 2.816 20 0 DFADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1sccc1OC ZINC000123130476 426414684 /nfs/dbraw/zinc/41/46/84/426414684.db2.gz ZTKYFLSAFKAYCV-KOLCDFICSA-N -1 3 321.489 2.709 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)c2cccs2)s1 ZINC000176817940 426417396 /nfs/dbraw/zinc/41/73/96/426417396.db2.gz FUVDMGGUJJGXPV-ZETCQYMHSA-N -1 3 302.446 2.861 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCc2ccccc21 ZINC000154325686 426435783 /nfs/dbraw/zinc/43/57/83/426435783.db2.gz PNGGQLVFZGDHLP-LBPRGKRZSA-N -1 3 309.412 2.723 20 0 DFADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(F)c(F)c1 ZINC000154373284 426438461 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DFADHM CCc1ccccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000189194231 426828150 /nfs/dbraw/zinc/82/81/50/426828150.db2.gz WSQVQZUKLQGCAZ-UHFFFAOYSA-N -1 3 324.424 2.913 20 0 DFADHM CC(C)OCCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000267146719 426830243 /nfs/dbraw/zinc/83/02/43/426830243.db2.gz HVWUCKIHSKJJFT-UHFFFAOYSA-N -1 3 310.304 2.504 20 0 DFADHM CC(C)OCCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000267146719 426830248 /nfs/dbraw/zinc/83/02/48/426830248.db2.gz HVWUCKIHSKJJFT-UHFFFAOYSA-N -1 3 310.304 2.504 20 0 DFADHM CC(C)OCCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000267146719 426830254 /nfs/dbraw/zinc/83/02/54/426830254.db2.gz HVWUCKIHSKJJFT-UHFFFAOYSA-N -1 3 310.304 2.504 20 0 DFADHM COc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c([O-])c1 ZINC000282133747 426835160 /nfs/dbraw/zinc/83/51/60/426835160.db2.gz PMILODBCJCXRDF-FVQBIDKESA-N -1 3 319.401 2.557 20 0 DFADHM Cc1ccc(C2=NO[C@H](C[N-]C(=O)C(F)(F)C(F)F)C2)cc1 ZINC000282163487 426842445 /nfs/dbraw/zinc/84/24/45/426842445.db2.gz 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/nfs/dbraw/zinc/85/50/35/426855035.db2.gz HRUDNHGILCEONI-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM COC1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCC1 ZINC000180391300 426855416 /nfs/dbraw/zinc/85/54/16/426855416.db2.gz PPNZFOBBGRSJKJ-UHFFFAOYSA-N -1 3 324.229 2.841 20 0 DFADHM COC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000180390983 426856130 /nfs/dbraw/zinc/85/61/30/426856130.db2.gz XSMWHSHOGPXXBC-UHFFFAOYSA-N -1 3 324.229 2.841 20 0 DFADHM CC(C)(CC(=O)[N-]C1=NCCS1)CC(=O)c1ccccc1 ZINC000281910222 426790257 /nfs/dbraw/zinc/79/02/57/426790257.db2.gz SEALMDRTCOQFHW-UHFFFAOYSA-N -1 3 304.415 2.895 20 0 DFADHM CCn1nc(C[N-]c2nnc([C@H]3CCCO3)o2)c2ccccc21 ZINC000274551087 426790479 /nfs/dbraw/zinc/79/04/79/426790479.db2.gz WKINRACFUSROEG-CQSZACIVSA-N -1 3 313.361 2.903 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1CCCOc2ccccc21 ZINC000179468420 426793605 /nfs/dbraw/zinc/79/36/05/426793605.db2.gz ZCZGDVPZFQUPSE-WAVCKPEOSA-N -1 3 310.353 2.831 20 0 DFADHM CC1(C)CCC[C@H]1C(=O)Nc1ccccc1[N-]S(C)(=O)=O 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O=C(c1cc(F)cc2[n-]nnc21)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000282530837 426919862 /nfs/dbraw/zinc/91/98/62/426919862.db2.gz QGINJEHDSDOSRY-QWHCGFSZSA-N -1 3 320.393 2.597 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000282530837 426919869 /nfs/dbraw/zinc/91/98/69/426919869.db2.gz QGINJEHDSDOSRY-QWHCGFSZSA-N -1 3 320.393 2.597 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000282530837 426919876 /nfs/dbraw/zinc/91/98/76/426919876.db2.gz QGINJEHDSDOSRY-QWHCGFSZSA-N -1 3 320.393 2.597 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(-c2ccncc2)ccc1C ZINC000282250640 426863580 /nfs/dbraw/zinc/86/35/80/426863580.db2.gz RFHIZRSFQNROBM-CYBMUJFWSA-N -1 3 320.414 2.834 20 0 DFADHM O=C(Nc1ccsc1Cl)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000189499341 426871226 /nfs/dbraw/zinc/87/12/26/426871226.db2.gz ZYADTSFCTDCXSN-UHFFFAOYSA-N -1 3 306.730 2.537 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)c(C)s1 ZINC000267310220 426871493 /nfs/dbraw/zinc/87/14/93/426871493.db2.gz 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/nfs/dbraw/zinc/89/49/27/426894927.db2.gz ZGGLQXDSIQZPGR-MRXNPFEDSA-N -1 3 302.349 2.643 20 0 DFADHM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)O1 ZINC000282374503 426895857 /nfs/dbraw/zinc/89/58/57/426895857.db2.gz ZOSBCFQTSVMZLP-SXMVTHIZSA-N -1 3 322.315 2.502 20 0 DFADHM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)O1 ZINC000282374503 426895862 /nfs/dbraw/zinc/89/58/62/426895862.db2.gz ZOSBCFQTSVMZLP-SXMVTHIZSA-N -1 3 322.315 2.502 20 0 DFADHM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)O1 ZINC000282374503 426895868 /nfs/dbraw/zinc/89/58/68/426895868.db2.gz ZOSBCFQTSVMZLP-SXMVTHIZSA-N -1 3 322.315 2.502 20 0 DFADHM C[C@@H](c1ccccc1Cl)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000295306148 426898958 /nfs/dbraw/zinc/89/89/58/426898958.db2.gz KKBNSAWVWKPDIT-JTQLQIEISA-N -1 3 307.781 2.957 20 0 DFADHM CCc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000189596911 426899173 /nfs/dbraw/zinc/89/91/73/426899173.db2.gz CGVCRMBMJLNELG-UHFFFAOYSA-N -1 3 324.424 2.913 20 0 DFADHM COc1ccc(C(=O)Nc2ccccc2CCN(C)C)c([O-])c1 ZINC000275702875 426899525 /nfs/dbraw/zinc/89/95/25/426899525.db2.gz SWZCGUYZKZRHGO-UHFFFAOYSA-N -1 3 314.385 2.757 20 0 DFADHM COC[C@@]1(C)CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000295301555 426899737 /nfs/dbraw/zinc/89/97/37/426899737.db2.gz BDJCHBTZNHNOCW-AWEZNQCLSA-N -1 3 317.307 2.910 20 0 DFADHM COc1cc(C(=O)NCCCOC2CCCCC2)ccc1[O-] ZINC000268056227 426901313 /nfs/dbraw/zinc/90/13/13/426901313.db2.gz AUDQMBFYHOPEPM-UHFFFAOYSA-N -1 3 307.390 2.870 20 0 DFADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC000305259850 426903737 /nfs/dbraw/zinc/90/37/37/426903737.db2.gz RDHFDAWQHCKMEM-UHFFFAOYSA-N -1 3 309.362 2.736 20 0 DFADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000305256227 426903960 /nfs/dbraw/zinc/90/39/60/426903960.db2.gz OCDNGFGCPRBFTQ-UHFFFAOYSA-N -1 3 313.325 2.566 20 0 DFADHM CC(C)C[C@H](C)CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291531473 426907340 /nfs/dbraw/zinc/90/73/40/426907340.db2.gz KQSONWYJKOBBBD-NSHDSACASA-N -1 3 319.405 2.593 20 0 DFADHM CC(C)c1nnc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)[nH]1 ZINC000291540152 426909370 /nfs/dbraw/zinc/90/93/70/426909370.db2.gz XKUHXMORFUIDKO-MRVPVSSYSA-N -1 3 308.769 2.778 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(OC)c2)C12CCCC2 ZINC000268091213 426911630 /nfs/dbraw/zinc/91/16/30/426911630.db2.gz TYRVHHMXYIXSJW-JKSUJKDBSA-N -1 3 319.401 2.868 20 0 DFADHM COc1cc(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)ccc1[O-] ZINC000275917711 426949637 /nfs/dbraw/zinc/94/96/37/426949637.db2.gz ABKLPPLHLWLJSO-DZGCQCFKSA-N -1 3 307.390 2.724 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2c[nH]nc2-c2ccsc2)n1 ZINC000189795848 426952549 /nfs/dbraw/zinc/95/25/49/426952549.db2.gz WGQZTCKHFHEGLW-UHFFFAOYSA-N -1 3 300.343 2.800 20 0 DFADHM CCSCc1cccc([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000337747558 426953164 /nfs/dbraw/zinc/95/31/64/426953164.db2.gz HEVVEXZCBCGGTN-NSHDSACASA-N -1 3 303.449 2.716 20 0 DFADHM CCNC(=O)c1ccc(C)c(NC(=O)[N-]OC[C@H](C)CC)c1 ZINC000291692605 426954375 /nfs/dbraw/zinc/95/43/75/426954375.db2.gz DNZMRMWLPOJTRU-LLVKDONJSA-N -1 3 307.394 2.844 20 0 DFADHM CO[C@@H](Cn1cc(Cl)c(=O)[n-]c1=O)c1ccc(Cl)cc1 ZINC000337757866 426957898 /nfs/dbraw/zinc/95/78/98/426957898.db2.gz MWNSVKLIILPFFR-NSHDSACASA-N -1 3 315.156 2.643 20 0 DFADHM CO[C@H]1CN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CC[C@@H]1C ZINC000189821862 426959556 /nfs/dbraw/zinc/95/95/56/426959556.db2.gz JYJJXYNJYJHHRD-NHYWBVRUSA-N -1 3 314.385 2.746 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2csc(C)n2)n1 ZINC000189849473 426964808 /nfs/dbraw/zinc/96/48/08/426964808.db2.gz QUHLFFLXWDKYKU-CYBMUJFWSA-N -1 3 304.419 2.847 20 0 DFADHM CCN(C(=O)CN1CCCC[C@H]1CCC(=O)[O-])C1CCCCC1 ZINC000320412724 426965597 /nfs/dbraw/zinc/96/55/97/426965597.db2.gz QTPGSPFFUVCESW-HNNXBMFYSA-N -1 3 324.465 2.887 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000291720017 426965636 /nfs/dbraw/zinc/96/56/36/426965636.db2.gz HGZDNMVSUHDTNZ-LLVKDONJSA-N -1 3 305.378 2.678 20 0 DFADHM Cc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)c([O-])c1 ZINC000247929867 426966801 /nfs/dbraw/zinc/96/68/01/426966801.db2.gz QFYKJBDXQYUGHV-UHFFFAOYSA-N -1 3 304.390 2.534 20 0 DFADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C)nc1)C(F)(F)F ZINC000337787877 426970800 /nfs/dbraw/zinc/97/08/00/426970800.db2.gz YOVKMJIMSHZRMK-GZMMTYOYSA-N -1 3 310.341 2.645 20 0 DFADHM Cc1cccc(Cl)c1CN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000295471375 426971360 /nfs/dbraw/zinc/97/13/60/426971360.db2.gz YBIIKMAKCSZSQV-NSHDSACASA-N -1 3 307.781 2.704 20 0 DFADHM COc1cc(C(=O)NC2(c3nc(C)cs3)CCC2)ccc1[O-] ZINC000276035215 426971860 /nfs/dbraw/zinc/97/18/60/426971860.db2.gz VEGYMMKUVKWBFN-UHFFFAOYSA-N -1 3 318.398 2.975 20 0 DFADHM Cc1cccc(Cl)c1CN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000295471370 426972033 /nfs/dbraw/zinc/97/20/33/426972033.db2.gz YBIIKMAKCSZSQV-LLVKDONJSA-N -1 3 307.781 2.704 20 0 DFADHM COc1cc(C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1[O-] ZINC000276039923 426973682 /nfs/dbraw/zinc/97/36/82/426973682.db2.gz 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427642569 /nfs/dbraw/zinc/64/25/69/427642569.db2.gz ZQWJMKREWSDCJA-XPTSAGLGSA-N -1 3 308.428 2.663 20 0 DFADHM O=S(=O)([N-]Cc1coc2ccccc12)c1cncc(Cl)c1 ZINC000339041493 427642751 /nfs/dbraw/zinc/64/27/51/427642751.db2.gz OAABASYABLJISJ-UHFFFAOYSA-N -1 3 322.773 2.960 20 0 DFADHM CCOCCC1(C[N-]S(=O)(=O)c2c(C)cccc2F)CC1 ZINC000185372761 427643061 /nfs/dbraw/zinc/64/30/61/427643061.db2.gz OUHYXJOHJVLYCC-UHFFFAOYSA-N -1 3 315.410 2.619 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)C)C2)s1 ZINC000339042029 427643226 /nfs/dbraw/zinc/64/32/26/427643226.db2.gz XPFQBOJWJMZSEL-NWDGAFQWSA-N -1 3 302.465 2.945 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C)cc2)s1 ZINC000339043223 427644183 /nfs/dbraw/zinc/64/41/83/427644183.db2.gz WFTADDFLHVKVDJ-LLVKDONJSA-N -1 3 310.444 2.842 20 0 DFADHM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc2n[n-]nc2c1 ZINC000185390370 427644778 /nfs/dbraw/zinc/64/47/78/427644778.db2.gz HQJFRBIZSSBIPR-YOEHRIQHSA-N -1 3 322.368 2.608 20 0 DFADHM C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000272134802 427645194 /nfs/dbraw/zinc/64/51/94/427645194.db2.gz CKMLJCFYJBHKGK-LLVKDONJSA-N -1 3 310.825 2.848 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1c1nc2nncc-2c(O)[n-]1 ZINC000294883872 427665835 /nfs/dbraw/zinc/66/58/35/427665835.db2.gz FNVOWTKYSXHQLG-NTZNESFSSA-N -1 3 309.373 2.829 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@H]2C)s1 ZINC000339044583 427646347 /nfs/dbraw/zinc/64/63/47/427646347.db2.gz CHFAYGLOOYFXBK-MWLCHTKSSA-N -1 3 302.465 2.945 20 0 DFADHM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000339049729 427647381 /nfs/dbraw/zinc/64/73/81/427647381.db2.gz SGEJCDUHYKBMAF-GHMZBOCLSA-N -1 3 302.827 2.840 20 0 DFADHM Cc1ccccc1CC[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000339048406 427648203 /nfs/dbraw/zinc/64/82/03/427648203.db2.gz MUSPHTHXFQWQPO-UHFFFAOYSA-N -1 3 310.806 2.564 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1C1CCCCC1 ZINC000339051175 427649056 /nfs/dbraw/zinc/64/90/56/427649056.db2.gz 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/nfs/dbraw/zinc/66/15/24/427661524.db2.gz GJFLDSJTKUHSAN-UHFFFAOYSA-N -1 3 310.304 2.504 20 0 DFADHM CCCCN(C)S(=O)(=O)[N-]c1cc(C)n([C@H](C)C2CC2)n1 ZINC000342434750 272012670 /nfs/dbraw/zinc/01/26/70/272012670.db2.gz JEYJSLKZFIAIGH-GFCCVEGCSA-N -1 3 314.455 2.551 20 0 DFADHM Cc1c([N-]S(=O)(=O)CCCCF)n[nH]c1-c1ccccc1 ZINC000342447139 272015409 /nfs/dbraw/zinc/01/54/09/272015409.db2.gz LXGZXBJMYQJIGN-UHFFFAOYSA-N -1 3 311.382 2.877 20 0 DFADHM CCCn1c(=O)[n-]nc1SCCCCC(=O)OC(C)(C)C ZINC000342564161 272025995 /nfs/dbraw/zinc/02/59/95/272025995.db2.gz JLLDXZJOIMFNJD-UHFFFAOYSA-N -1 3 315.439 2.998 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N[C@H](C)CC(F)(F)F)c(=O)c2c1 ZINC000342580638 272027705 /nfs/dbraw/zinc/02/77/05/272027705.db2.gz YSVZNEKVUVTIDV-SECBINFHSA-N -1 3 312.291 2.907 20 0 DFADHM O=C(NC[C@H](CO)c1ccccc1)c1cc([O-])ccc1Cl ZINC000342656789 272037072 /nfs/dbraw/zinc/03/70/72/272037072.db2.gz BFLZHPYEQHNIRA-GFCCVEGCSA-N -1 3 305.761 2.552 20 0 DFADHM Cc1ncsc1CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000342928063 272067451 /nfs/dbraw/zinc/06/74/51/272067451.db2.gz PRSRCVWZHKXMIR-UHFFFAOYSA-N -1 3 313.382 2.565 20 0 DFADHM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC000342990166 272073779 /nfs/dbraw/zinc/07/37/79/272073779.db2.gz PHXVXIFMUNZZLO-BKDNQFJXSA-N -1 3 323.867 2.739 20 0 DFADHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cccs2)c1 ZINC000342990389 272074282 /nfs/dbraw/zinc/07/42/82/272074282.db2.gz QMVCYMJNJANARL-UONOGXRCSA-N -1 3 323.439 2.981 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c([O-])c1 ZINC000343385717 272133163 /nfs/dbraw/zinc/13/31/63/272133163.db2.gz LHMKSZBGTRIUHC-QWRGUYRKSA-N -1 3 319.357 2.513 20 0 DFADHM Cc1nnc([C@@H]2CCCCN2C(=O)c2cc([O-])ccc2Cl)[nH]1 ZINC000343393390 272135772 /nfs/dbraw/zinc/13/57/72/272135772.db2.gz VTXFMWRSCHJFFG-ZDUSSCGKSA-N -1 3 320.780 2.840 20 0 DFADHM CS[C@H](C)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000343478987 272156878 /nfs/dbraw/zinc/15/68/78/272156878.db2.gz IWIVDTCHISWPDX-MRVPVSSYSA-N -1 3 318.236 2.565 20 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ZINC000345924363 427952867 /nfs/dbraw/zinc/95/28/67/427952867.db2.gz IUNUJAMUTJIOBL-UHFFFAOYSA-N -1 3 308.284 2.878 20 0 DFADHM CCC[C@H]1C(=O)NCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356126320 428031802 /nfs/dbraw/zinc/03/18/02/428031802.db2.gz UBNLLKPCDGKWGG-ZDUSSCGKSA-N -1 3 316.323 2.512 20 0 DFADHM O=S(=O)([N-][C@@H]1CC12CCCCC2)c1ccc(F)c(F)c1 ZINC000356127017 428032087 /nfs/dbraw/zinc/03/20/87/428032087.db2.gz BSEJSSDNSZOMSY-CYBMUJFWSA-N -1 3 301.358 2.966 20 0 DFADHM CCc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C)[nH]2)c([O-])c1 ZINC000376959217 428033561 /nfs/dbraw/zinc/03/35/61/428033561.db2.gz XIESKSQNVLCQFP-CQSZACIVSA-N -1 3 314.389 2.749 20 0 DFADHM CCOc1ncccc1[N-]C(=O)c1noc(-c2ccccc2)n1 ZINC000346152864 428040428 /nfs/dbraw/zinc/04/04/28/428040428.db2.gz CVWDWUJBGPOERK-UHFFFAOYSA-N -1 3 310.313 2.783 20 0 DFADHM CSc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c([O-])c1 ZINC000377052487 428048488 /nfs/dbraw/zinc/04/84/88/428048488.db2.gz OWSVTGYUXZKZOM-HOTGVXAUSA-N -1 3 315.394 2.502 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2)CCN1c1nc2nncc-2c(O)[n-]1 ZINC000341373110 428050481 /nfs/dbraw/zinc/05/04/81/428050481.db2.gz IDSKCKKJCQADEJ-AAEUAGOBSA-N -1 3 309.373 2.831 20 0 DFADHM CCn1cnnc1[N-]C(=O)COc1ccc(Cl)cc1Cl ZINC000356184513 428057661 /nfs/dbraw/zinc/05/76/61/428057661.db2.gz KGEXFEOQFCTIMH-UHFFFAOYSA-N -1 3 315.160 2.622 20 0 DFADHM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000369788333 428060593 /nfs/dbraw/zinc/06/05/93/428060593.db2.gz RTFIQKYSYMRYNI-GOSISDBHSA-N -1 3 324.359 2.901 20 0 DFADHM CCn1cnnc1[N-]C(=O)c1cnc(-c2ccccc2F)s1 ZINC000356193750 428061025 /nfs/dbraw/zinc/06/10/25/428061025.db2.gz VXHQWKVNWWVVDX-UHFFFAOYSA-N -1 3 317.349 2.813 20 0 DFADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccs2)[C@H](C)[C@@H]1OC ZINC000356071963 428010759 /nfs/dbraw/zinc/01/07/59/428010759.db2.gz PWIAGIHRLCYVJW-UHTWSYAYSA-N -1 3 317.476 2.866 20 0 DFADHM [O-]c1cc(CN2CCN(CC(F)F)CC2)cc(C(F)(F)F)c1 ZINC000356093611 428019677 /nfs/dbraw/zinc/01/96/77/428019677.db2.gz 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/nfs/dbraw/zinc/08/64/51/428086451.db2.gz ICYXOXBPOHRTOM-ZJUUUORDSA-N -1 3 322.352 2.815 20 0 DFADHM Cc1ccc(-c2nc(COC[C@H]3CCOC3)no2)c([O-])c1C ZINC000351413915 428087248 /nfs/dbraw/zinc/08/72/48/428087248.db2.gz PNPPHZYRZNWFHT-LBPRGKRZSA-N -1 3 304.346 2.612 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000346239673 428089445 /nfs/dbraw/zinc/08/94/45/428089445.db2.gz ODOHTEZPYFNSLM-WMLDXEAASA-N -1 3 321.392 2.928 20 0 DFADHM O=C(NC1(c2ccccc2)CC1)c1c[n-]c2ccccc2c1=O ZINC000346244046 428089769 /nfs/dbraw/zinc/08/97/69/428089769.db2.gz ULCNVQQKYGBSMW-UHFFFAOYSA-N -1 3 304.349 2.947 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](CO)c1ccsc1 ZINC000356262759 428093951 /nfs/dbraw/zinc/09/39/51/428093951.db2.gz YRZWCXOOPMDUJZ-AWEZNQCLSA-N -1 3 323.389 2.765 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000356260010 428094878 /nfs/dbraw/zinc/09/48/78/428094878.db2.gz HKQTURKNSVFZIK-LLVKDONJSA-N -1 3 303.424 2.698 20 0 DFADHM 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324.388 3.351 20 0 DFADHM [O-]c1cccnc1CNc1nc(C(F)F)nc2ccccc21 ZINC000359892941 428064869 /nfs/dbraw/zinc/06/48/69/428064869.db2.gz AZQRCSFZBYBLJS-UHFFFAOYSA-N -1 3 302.284 3.280 20 0 DFADHM CCn1cnnc1[N-]C(=O)c1csc(-c2cccs2)n1 ZINC000356204312 428066498 /nfs/dbraw/zinc/06/64/98/428066498.db2.gz JVUGLAQTWYOPKS-UHFFFAOYSA-N -1 3 305.388 2.735 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C12CCC(CC1)C2 ZINC000370134881 428141251 /nfs/dbraw/zinc/14/12/51/428141251.db2.gz XSINHOMZHUEJQP-UHFFFAOYSA-N -1 3 315.822 2.960 20 0 DFADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1 ZINC000341659514 428144069 /nfs/dbraw/zinc/14/40/69/428144069.db2.gz OWJDOHAXYRNZSS-VIFPVBQESA-N -1 3 323.336 2.754 20 0 DFADHM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1cccc2nonc21 ZINC000377552555 428157855 /nfs/dbraw/zinc/15/78/55/428157855.db2.gz CNEWHUMOYYWFJT-UHFFFAOYSA-N -1 3 321.296 2.834 20 0 DFADHM Cn1cnc(S(=O)(=O)[N-]CC2CCC(C(C)(C)C)CC2)c1 ZINC000360100624 428161083 /nfs/dbraw/zinc/16/10/83/428161083.db2.gz 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COC[C@@H](C)[C@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000360283139 428235552 /nfs/dbraw/zinc/23/55/52/428235552.db2.gz MXLNMMUWWDXXDW-BDAKNGLRSA-N -1 3 324.331 2.607 20 0 DFADHM COC[C@@H](C)[C@H](C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000360283139 428235554 /nfs/dbraw/zinc/23/55/54/428235554.db2.gz MXLNMMUWWDXXDW-BDAKNGLRSA-N -1 3 324.331 2.607 20 0 DFADHM Cc1cc(C(=O)NCCc2cc3ccccc3s2)[n-]c(=O)n1 ZINC000356570311 428236206 /nfs/dbraw/zinc/23/62/06/428236206.db2.gz OUPPETZFSHYBKZ-UHFFFAOYSA-N -1 3 313.382 2.678 20 0 DFADHM CCC(CC)(CC)S(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414221355 428238038 /nfs/dbraw/zinc/23/80/38/428238038.db2.gz KNQLVJMFWSRHCA-UHFFFAOYSA-N -1 3 312.435 2.943 20 0 DFADHM CCCCN(CCCO)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000346667288 428263046 /nfs/dbraw/zinc/26/30/46/428263046.db2.gz QNNMSASPDJOEEB-UHFFFAOYSA-N -1 3 311.397 2.865 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000346676325 428268181 /nfs/dbraw/zinc/26/81/81/428268181.db2.gz UPMJCOFOORVATF-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000346676325 428268186 /nfs/dbraw/zinc/26/81/86/428268186.db2.gz UPMJCOFOORVATF-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM COCc1ncc(C(=O)[N-]c2nc3c(s2)C(=O)CCC3)s1 ZINC000352828609 428269467 /nfs/dbraw/zinc/26/94/67/428269467.db2.gz ORYSKNQMVWCJSG-UHFFFAOYSA-N -1 3 323.399 2.517 20 0 DFADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000356682995 428270467 /nfs/dbraw/zinc/27/04/67/428270467.db2.gz ACXBBVGAPOIBBX-ZCFIWIBFSA-N -1 3 319.707 2.956 20 0 DFADHM O=C(NC[C@@H]1CCCn2ccnc21)c1cc([O-])ccc1Cl ZINC000377967401 428272715 /nfs/dbraw/zinc/27/27/15/428272715.db2.gz MDKAJKRMQIGQFL-JTQLQIEISA-N -1 3 305.765 2.550 20 0 DFADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(-c2nc(C)co2)c1 ZINC000414377644 428276240 /nfs/dbraw/zinc/27/62/40/428276240.db2.gz WNAWMQAVMTZREA-UHFFFAOYSA-N -1 3 324.402 2.817 20 0 DFADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000414385488 428279774 /nfs/dbraw/zinc/27/97/74/428279774.db2.gz RUSVFLSQBKGTRZ-UHFFFAOYSA-N -1 3 324.402 2.817 20 0 DFADHM O=C([N-]OCC(F)(F)F)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000377993107 428280358 /nfs/dbraw/zinc/28/03/58/428280358.db2.gz SYYVRLVXPNZQDY-SECBINFHSA-N -1 3 322.714 2.776 20 0 DFADHM C[C@H]1CCC[C@@H](CCNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000360397006 428282844 /nfs/dbraw/zinc/28/28/44/428282844.db2.gz UTICXUIEPSNDKS-RYUDHWBXSA-N -1 3 314.385 2.516 20 0 DFADHM Cc1ccc([O-])c(C(=O)NC[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000356724376 428283201 /nfs/dbraw/zinc/28/32/01/428283201.db2.gz SXBAMAFAXDSDQE-QFBILLFUSA-N -1 3 311.381 2.597 20 0 DFADHM Cn1cc(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)nn1 ZINC000342078919 428292149 /nfs/dbraw/zinc/29/21/49/428292149.db2.gz FNXVDEIYLSWRGL-UHFFFAOYSA-N -1 3 312.304 2.999 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCc2cccc(Cn3cccn3)c2)c1 ZINC000342077062 428293039 /nfs/dbraw/zinc/29/30/39/428293039.db2.gz DRUMUTYTHKNHDP-UHFFFAOYSA-N -1 3 321.380 2.875 20 0 DFADHM Cc1noc(C2CCC(NC(=O)c3ccccc3[O-])CC2)n1 ZINC000378053244 428294691 /nfs/dbraw/zinc/29/46/91/428294691.db2.gz VNERPRNCCAWVSL-UHFFFAOYSA-N -1 3 301.346 2.540 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])NCCc1ccco1 ZINC000346738567 428295688 /nfs/dbraw/zinc/29/56/88/428295688.db2.gz MPIGFIOAESXFDH-UHFFFAOYSA-N -1 3 324.174 2.649 20 0 DFADHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2ccc3sccc3c2)no1 ZINC000356585011 428243802 /nfs/dbraw/zinc/24/38/02/428243802.db2.gz CLYQNCMCRNQONQ-MRVPVSSYSA-N -1 3 323.399 2.562 20 0 DFADHM CCC[C@]1(CO)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000356588567 428243993 /nfs/dbraw/zinc/24/39/93/428243993.db2.gz MDUMWAYTWJTGSX-SFHVURJKSA-N -1 3 323.408 2.865 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000370583970 428246063 /nfs/dbraw/zinc/24/60/63/428246063.db2.gz NBRBPZDKIKKRQT-KRWDZBQOSA-N -1 3 310.332 2.669 20 0 DFADHM O=c1cc(C[S@](=O)CCCc2ccccc2)nc(C2CC2)[n-]1 ZINC000414288830 428250227 /nfs/dbraw/zinc/25/02/27/428250227.db2.gz MARYNLZAWGNNTH-JOCHJYFZSA-N -1 3 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ZINC000354136018 428880063 /nfs/dbraw/zinc/88/00/63/428880063.db2.gz HZLRAEKLTYPYIL-UHFFFAOYSA-N -1 3 313.386 2.944 20 0 DFADHM CSc1nc(NC(=O)c2cc3cc(C)ccc3nc2C)n[n-]1 ZINC000354136018 428880066 /nfs/dbraw/zinc/88/00/66/428880066.db2.gz HZLRAEKLTYPYIL-UHFFFAOYSA-N -1 3 313.386 2.944 20 0 DFADHM O=C(Nc1ncccc1[O-])c1ccc(N2CCCC2)c(F)c1 ZINC000359236734 428880767 /nfs/dbraw/zinc/88/07/67/428880767.db2.gz FZCUOHVVLLBIBY-UHFFFAOYSA-N -1 3 301.321 2.779 20 0 DFADHM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1csc(=O)[n-]1 ZINC000348943266 428882614 /nfs/dbraw/zinc/88/26/14/428882614.db2.gz WPMKAKLLYWUFSB-UHFFFAOYSA-N -1 3 314.313 2.722 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)n1 ZINC000375456205 428888789 /nfs/dbraw/zinc/88/87/89/428888789.db2.gz QVQFGXZFAICTAL-RKVPGOIHSA-N -1 3 319.449 2.650 20 0 DFADHM Cc1ncccc1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000359281870 428899446 /nfs/dbraw/zinc/89/94/46/428899446.db2.gz ITJUOTOZNCOEEX-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ncccc1C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000359281870 428899451 /nfs/dbraw/zinc/89/94/51/428899451.db2.gz ITJUOTOZNCOEEX-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ncccc1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000359281870 428899460 /nfs/dbraw/zinc/89/94/60/428899460.db2.gz ITJUOTOZNCOEEX-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N1CC(C2CCC2)C1 ZINC000354180310 428901996 /nfs/dbraw/zinc/90/19/96/428901996.db2.gz NFRJSFDOZJTABC-UHFFFAOYSA-N -1 3 324.218 2.956 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)[C@@H]3CCOC3)nc2)n1 ZINC000359289754 428905424 /nfs/dbraw/zinc/90/54/24/428905424.db2.gz ATIGBTSWKIPBQN-DGCLKSJQSA-N -1 3 314.389 2.644 20 0 DFADHM O=C([O-])[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@H]1C(F)(F)F ZINC000345512506 428915391 /nfs/dbraw/zinc/91/53/91/428915391.db2.gz XQXXMXJOWLERGD-CHWSQXEVSA-N -1 3 324.302 2.930 20 0 DFADHM CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1cccc([O-])c1 ZINC000345533880 428925464 /nfs/dbraw/zinc/92/54/64/428925464.db2.gz 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/nfs/dbraw/zinc/96/03/57/428960357.db2.gz ZWUASORZFZPCGS-UHFFFAOYSA-N -1 3 311.385 2.812 20 0 DFADHM CCC[C@H](C)c1cc(NC(=O)c2ccc(C(C)=O)c([O-])c2)n[nH]1 ZINC000412140917 428962957 /nfs/dbraw/zinc/96/29/57/428962957.db2.gz VTDADHLWTLBQAL-JTQLQIEISA-N -1 3 315.373 3.474 20 0 DFADHM COC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccc(C)o1 ZINC000412166477 428970169 /nfs/dbraw/zinc/97/01/69/428970169.db2.gz VNDIHDHPNJKBNF-AWEZNQCLSA-N -1 3 317.341 2.614 20 0 DFADHM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCCN2)c1 ZINC000423774951 429016696 /nfs/dbraw/zinc/01/66/96/429016696.db2.gz ACVJKCNDZBUCAF-SNVBAGLBSA-N -1 3 313.195 2.544 20 0 DFADHM CCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)COC1 ZINC000451952246 429026814 /nfs/dbraw/zinc/02/68/14/429026814.db2.gz OKUJWPNIIUHZNL-UHFFFAOYSA-N -1 3 324.229 2.698 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCCC2CCOCC2)cc1[O-] ZINC000412368442 429027046 /nfs/dbraw/zinc/02/70/46/429027046.db2.gz NXMMIQBKWPTUKQ-UHFFFAOYSA-N -1 3 305.374 2.531 20 0 DFADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccccc2Cl)o1 ZINC000451961056 429028047 /nfs/dbraw/zinc/02/80/47/429028047.db2.gz RENQRMXDZNYSBV-UHFFFAOYSA-N -1 3 314.794 2.759 20 0 DFADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccccc2CC)o1 ZINC000451963340 429028247 /nfs/dbraw/zinc/02/82/47/429028247.db2.gz YSACKCRSAQFMLF-UHFFFAOYSA-N -1 3 308.403 2.668 20 0 DFADHM CO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(C)=O)c([O-])c2)C12CCC2 ZINC000412388986 429030101 /nfs/dbraw/zinc/03/01/01/429030101.db2.gz FDUGDRMCBIYBEL-HZPDHXFCSA-N -1 3 317.385 2.624 20 0 DFADHM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000451976562 429030820 /nfs/dbraw/zinc/03/08/20/429030820.db2.gz MYSXBHPPZXSAPA-VXGBXAGGSA-N -1 3 323.817 2.615 20 0 DFADHM CC(C)c1cccc(CC(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000412194447 428977817 /nfs/dbraw/zinc/97/78/17/428977817.db2.gz HEJYOWCCMAILKD-UHFFFAOYSA-N -1 3 323.400 3.115 20 0 DFADHM CC(C)c1cccc(CC(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000412194447 428977826 /nfs/dbraw/zinc/97/78/26/428977826.db2.gz HEJYOWCCMAILKD-UHFFFAOYSA-N -1 3 323.400 3.115 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1[O-] ZINC000412199662 428979846 /nfs/dbraw/zinc/97/98/46/428979846.db2.gz WHGLQCGDQIVVQV-BPQIPLTHSA-N -1 3 307.349 2.663 20 0 DFADHM CC[C@](C)(C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)OC ZINC000451799376 428980867 /nfs/dbraw/zinc/98/08/67/428980867.db2.gz WLWGPOJGMDDVQE-GFCCVEGCSA-N -1 3 309.790 2.573 20 0 DFADHM Cc1ccnc([C@@H]([N-]S(=O)(=O)CC2CCCCC2)C2CC2)n1 ZINC000349445953 428988768 /nfs/dbraw/zinc/98/87/68/428988768.db2.gz KKXOVWQDOLMSBE-HNNXBMFYSA-N -1 3 323.462 2.736 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCC[C@H]2CCCCO2)cc1[O-] ZINC000412252842 428997819 /nfs/dbraw/zinc/99/78/19/428997819.db2.gz QTMIVSDXVKOLHE-CQSZACIVSA-N -1 3 305.374 2.674 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@H](C)c2nc(C)cs2)cc1[O-] ZINC000412260604 428999246 /nfs/dbraw/zinc/99/92/46/428999246.db2.gz VGCIUMFYIYTOBV-VIFPVBQESA-N -1 3 318.398 2.893 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)[C@@H]1CC[C@H](C)C1)c2=O ZINC000412301658 429009480 /nfs/dbraw/zinc/00/94/80/429009480.db2.gz LMMVPEAWDMBYES-NWDGAFQWSA-N -1 3 314.385 2.797 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)C[C@@H]1C ZINC000349593936 429012078 /nfs/dbraw/zinc/01/20/78/429012078.db2.gz YRTPZCGFSMVREA-TYNCELHUSA-N -1 3 324.446 2.613 20 0 DFADHM O=C1C[C@@H](c2cccc(NCc3cc([O-])cc(F)c3)c2)CN1 ZINC000349609329 429014193 /nfs/dbraw/zinc/01/41/93/429014193.db2.gz JALLBDUSZVXUFF-CYBMUJFWSA-N -1 3 300.333 2.747 20 0 DFADHM CC1(C)CCCN1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000452100342 429056423 /nfs/dbraw/zinc/05/64/23/429056423.db2.gz ZHWMIDATZMYQRF-UHFFFAOYSA-N -1 3 322.883 2.554 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3cnc4n3CCCC4)n[n-]2)o1 ZINC000452335043 429097174 /nfs/dbraw/zinc/09/71/74/429097174.db2.gz OURZHQLZEBCACX-UHFFFAOYSA-N -1 3 311.345 2.763 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3cnc4n3CCCC4)[n-]n2)o1 ZINC000452335043 429097178 /nfs/dbraw/zinc/09/71/78/429097178.db2.gz OURZHQLZEBCACX-UHFFFAOYSA-N -1 3 311.345 2.763 20 0 DFADHM C[C@@H]1C[C@H](CNC(=O)c2cc([O-])ccc2C(F)(F)F)[C@@H](C)O1 ZINC000412661358 429077807 /nfs/dbraw/zinc/07/78/07/429077807.db2.gz UKUOPBXEXWSRFF-OPRDCNLKSA-N -1 3 317.307 2.954 20 0 DFADHM CCSc1cccc(CNC(=O)NCc2ncccc2[O-])c1 ZINC000494768660 429151992 /nfs/dbraw/zinc/15/19/92/429151992.db2.gz QXUGAJMPQFQMNG-UHFFFAOYSA-N -1 3 317.414 2.899 20 0 DFADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1csnn1 ZINC000412791458 429102622 /nfs/dbraw/zinc/10/26/22/429102622.db2.gz GVUCAHMLRUYWBX-VIFPVBQESA-N -1 3 309.366 2.583 20 0 DFADHM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000412821440 429107562 /nfs/dbraw/zinc/10/75/62/429107562.db2.gz KFZUHFHYPYNIBM-KGLIPLIRSA-N -1 3 314.385 2.515 20 0 DFADHM Cc1nc2ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc2s1 ZINC000424217389 429111700 /nfs/dbraw/zinc/11/17/00/429111700.db2.gz ZRMCGYIJXXVNMF-ZCFIWIBFSA-N -1 3 324.349 2.834 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H](C)CCCO)c([O-])c1 ZINC000452437141 429114808 /nfs/dbraw/zinc/11/48/08/429114808.db2.gz SUYCXMIXJRBFID-CYBMUJFWSA-N -1 3 309.406 2.710 20 0 DFADHM C[C@@H]1CCCN(Cc2ncccc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC000424265800 429116370 /nfs/dbraw/zinc/11/63/70/429116370.db2.gz ILROQUQBMCLXML-BXKDBHETSA-N -1 3 302.296 2.786 20 0 DFADHM C[C@@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)[C@H]1C(=O)[O-] ZINC000424266912 429117038 /nfs/dbraw/zinc/11/70/38/429117038.db2.gz JSDKDKOPXDQXKZ-MLGOLLRUSA-N -1 3 317.364 2.697 20 0 DFADHM COc1cc(-c2nc(C3(N)CCCCC3)no2)cc(OC)c1[O-] ZINC000424348827 429130153 /nfs/dbraw/zinc/13/01/53/429130153.db2.gz UQQOFZBMSDQIMO-UHFFFAOYSA-N -1 3 319.361 2.578 20 0 DFADHM C[C@H]1C[C@H]([N-]c2nnc(C(F)F)s2)C(=O)N1c1ccccc1 ZINC000376527970 429130425 /nfs/dbraw/zinc/13/04/25/429130425.db2.gz SYRUSLREOQGTDE-WPRPVWTQSA-N -1 3 324.356 3.082 20 0 DFADHM Cc1ccc([O-])c(CNc2ccc(C)c(N3CCNC3=O)c2)n1 ZINC000487212473 429142522 /nfs/dbraw/zinc/14/25/22/429142522.db2.gz YNPRXWPTNJKATO-UHFFFAOYSA-N -1 3 312.373 2.546 20 0 DFADHM COc1cc(C(=O)N[C@@H]2COc3cccc(Cl)c32)ccc1[O-] ZINC000494848399 429160428 /nfs/dbraw/zinc/16/04/28/429160428.db2.gz XHHGFSUUPMLONP-LLVKDONJSA-N -1 3 319.744 2.918 20 0 DFADHM Fc1cccc2[nH]c(C[N-]c3nnc([C@@H]4CCCO4)o3)cc21 ZINC000436018818 429177325 /nfs/dbraw/zinc/17/73/25/429177325.db2.gz LNNUIGODHJZTRZ-ZDUSSCGKSA-N -1 3 302.309 3.154 20 0 DFADHM O=C(CN1CCc2sccc2C1)Nc1cc(F)ccc1[O-] ZINC000364382284 429195613 /nfs/dbraw/zinc/19/56/13/429195613.db2.gz XANKJCHHOHSIJS-UHFFFAOYSA-N -1 3 306.362 2.590 20 0 DFADHM O=C(CCc1cccc(OC(F)F)c1)NCc1ncccc1[O-] ZINC000424808821 429193759 /nfs/dbraw/zinc/19/37/59/429193759.db2.gz HGNSCTHJCRNELK-UHFFFAOYSA-N -1 3 322.311 2.638 20 0 DFADHM C[C@H]1CCCN(C(=O)c2cccc([O-])c2)[C@H]1C(=O)OC(C)(C)C ZINC000425039217 429223350 /nfs/dbraw/zinc/22/33/50/429223350.db2.gz MQCBGFQEHLUGQA-SWLSCSKDSA-N -1 3 319.401 2.975 20 0 DFADHM O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1c([O-])cccc1O ZINC000436670880 429201627 /nfs/dbraw/zinc/20/16/27/429201627.db2.gz HEKBADFIYMIVLX-LBPRGKRZSA-N -1 3 305.374 2.710 20 0 DFADHM Cc1cccc(C(=O)Nc2ccn(CCC(F)(F)F)n2)c1[O-] ZINC000425096904 429234002 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CCn1ccnc1[C@@H](C)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000456361301 429289035 /nfs/dbraw/zinc/28/90/35/429289035.db2.gz SBERJNGMUIUBLX-GFCCVEGCSA-N -1 3 313.401 2.978 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)CC[C@H](C)NC(=O)OC(C)(C)C ZINC000495825718 429275275 /nfs/dbraw/zinc/27/52/75/429275275.db2.gz AEHWRGWOGBZRIF-NEPJUHHUSA-N -1 3 302.415 2.774 20 0 DFADHM CSc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000365536284 429336337 /nfs/dbraw/zinc/33/63/37/429336337.db2.gz TXGJKUIUNUWTHD-UKRRQHHQSA-N -1 3 307.415 2.898 20 0 DFADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000365546929 429338693 /nfs/dbraw/zinc/33/86/93/429338693.db2.gz MYRNODKYSKDYJH-ZDUSSCGKSA-N -1 3 322.368 2.683 20 0 DFADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCN(C2CC2)CC1 ZINC000365555271 429339702 /nfs/dbraw/zinc/33/97/02/429339702.db2.gz LIICSAZGLBOFJM-UHFFFAOYSA-N -1 3 310.397 2.856 20 0 DFADHM CCOC(=O)c1sc([N-]C(=O)c2conc2COC)cc1C ZINC000425410214 429290007 /nfs/dbraw/zinc/29/00/07/429290007.db2.gz 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Cc1ccc(C(=O)N2CCN[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000367083074 429572744 /nfs/dbraw/zinc/57/27/44/429572744.db2.gz CPHBVWVIEWELGX-MRXNPFEDSA-N -1 3 314.360 2.626 20 0 DFADHM CCc1cc(C(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)ccc1[O-] ZINC000522008460 429575523 /nfs/dbraw/zinc/57/55/23/429575523.db2.gz RBDXSLCWIOHGNU-INIZCTEOSA-N -1 3 313.401 2.911 20 0 DFADHM O=C(/C=C\c1cc(Br)cs1)[N-]OCC(F)F ZINC000492607009 429576875 /nfs/dbraw/zinc/57/68/75/429576875.db2.gz XXCDQNRGEOOBFM-UPHRSURJSA-N -1 3 312.135 2.837 20 0 DFADHM COc1cncc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000522197174 429586242 /nfs/dbraw/zinc/58/62/42/429586242.db2.gz KIQCYIIQJWWIBO-UHFFFAOYSA-N -1 3 316.741 2.684 20 0 DFADHM CC[C@H](C)Oc1ccccc1/C=C\C(=O)[N-]O[C@H]1CCOC1 ZINC000492430161 429536756 /nfs/dbraw/zinc/53/67/56/429536756.db2.gz XMYMAKSKWJYBNX-KJOMZIQVSA-N -1 3 305.374 2.714 20 0 DFADHM CN(Cc1n[n-]c(=O)s1)[C@]1(c2ccccc2)CCCCC1=O ZINC000366930388 429541800 /nfs/dbraw/zinc/54/18/00/429541800.db2.gz BAGSNUFXKHOHGQ-INIZCTEOSA-N -1 3 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ZINC000637764162 430127592 /nfs/dbraw/zinc/12/75/92/430127592.db2.gz SZIKEQIQHAVYDL-UHFFFAOYSA-N -1 3 302.334 2.629 20 0 DFADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000562409949 430129625 /nfs/dbraw/zinc/12/96/25/430129625.db2.gz FPBSWWZKFARICX-UHFFFAOYSA-N -1 3 318.398 2.584 20 0 DFADHM O=C([O-])c1cnccc1N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000580556041 430134293 /nfs/dbraw/zinc/13/42/93/430134293.db2.gz BEAQGKBVPHOIRA-CJNGLKHVSA-N -1 3 316.332 2.673 20 0 DFADHM CCCCOCCN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000580560952 430134673 /nfs/dbraw/zinc/13/46/73/430134673.db2.gz FCUNUTSHBGEAME-UHFFFAOYSA-N -1 3 301.333 2.668 20 0 DFADHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc2sccc2s1 ZINC000531253557 430136219 /nfs/dbraw/zinc/13/62/19/430136219.db2.gz ARBYPNGJPIECRN-UHFFFAOYSA-N -1 3 318.358 3.397 20 0 DFADHM Cc1nc(-c2ccc(NCCC3(F)CCC3)nc2)[n-]c(=O)c1C ZINC000562890676 430178778 /nfs/dbraw/zinc/17/87/78/430178778.db2.gz ZXXJXNRKSVXTFM-UHFFFAOYSA-N -1 3 316.380 3.555 20 0 DFADHM CCOc1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1OC ZINC000580647083 430142922 /nfs/dbraw/zinc/14/29/22/430142922.db2.gz NHROILTYZGLYDT-OCCSQVGLSA-N -1 3 307.390 2.637 20 0 DFADHM COCCCCc1cccnc1NC(=O)c1cc(C(F)F)[n-]n1 ZINC000640350226 430146990 /nfs/dbraw/zinc/14/69/90/430146990.db2.gz GJELIMCVMDMFBY-UHFFFAOYSA-N -1 3 324.331 2.964 20 0 DFADHM CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C(C)(C)C1 ZINC000271905797 277097698 /nfs/dbraw/zinc/09/76/98/277097698.db2.gz BYKKAIGQPVXZFI-UHFFFAOYSA-N -1 3 316.323 2.577 20 0 DFADHM COc1ccc([C@@H]2CCCN2C(=O)Cc2cncc([O-])c2)cc1 ZINC000581208663 430188967 /nfs/dbraw/zinc/18/89/67/430188967.db2.gz VGHBPMMUNGNIAZ-KRWDZBQOSA-N -1 3 312.369 2.702 20 0 DFADHM C[C@@H]1c2c(F)cccc2CCN1S(=O)(=O)c1ccc([O-])cc1 ZINC000581306709 430196897 /nfs/dbraw/zinc/19/68/97/430196897.db2.gz VHTFWDNAVRCLMN-LLVKDONJSA-N -1 3 321.373 2.839 20 0 DFADHM O=C([O-])[C@H]1CCCN(CCSc2ccc(F)cc2F)C1 ZINC000635021605 430199388 /nfs/dbraw/zinc/19/93/88/430199388.db2.gz HAMIOJAVKSCBBS-JTQLQIEISA-N -1 3 301.358 2.854 20 0 DFADHM O=C(CCOc1ccc(F)c(Cl)c1)Nc1ncccc1[O-] ZINC000542166275 430204807 /nfs/dbraw/zinc/20/48/07/430204807.db2.gz SMWHSTTXPIKUFW-UHFFFAOYSA-N -1 3 310.712 2.987 20 0 DFADHM O=C(NCc1cc2n(n1)CCCC2)c1cc([O-])ccc1Cl ZINC000640620875 430218277 /nfs/dbraw/zinc/21/82/77/430218277.db2.gz MCKMRRVMVXPIJW-UHFFFAOYSA-N -1 3 305.765 2.508 20 0 DFADHM CC[C@](C)(O)CN(Cc1ccccc1)Cc1ncccc1[O-] ZINC000581575062 430220630 /nfs/dbraw/zinc/22/06/30/430220630.db2.gz ZMCAATHPXXQJCM-SFHVURJKSA-N -1 3 300.402 2.950 20 0 DFADHM O=C([O-])C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccncc1 ZINC000581559285 430220978 /nfs/dbraw/zinc/22/09/78/430220978.db2.gz TUIXLERSOUJYCB-CQSZACIVSA-N -1 3 322.311 2.989 20 0 DFADHM CCc1cccc(C(=O)Nc2cn(C)nc2C(F)(F)F)c1[O-] ZINC000542684602 430222316 /nfs/dbraw/zinc/22/23/16/430222316.db2.gz WGETYXLAAHCHMR-UHFFFAOYSA-N -1 3 313.279 2.959 20 0 DFADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC[C@](C)(O)C3)c2c1 ZINC000565484064 430214142 /nfs/dbraw/zinc/21/41/42/430214142.db2.gz WMMRDIXFBGHFMY-KRWDZBQOSA-N -1 3 300.358 2.593 20 0 DFADHM CCC[C@]1(CO)CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000581500588 430216074 /nfs/dbraw/zinc/21/60/74/430216074.db2.gz XPOCOKULSZYQQM-ZBFHGGJFSA-N -1 3 311.809 2.950 20 0 DFADHM O=c1cc(-c2noc([C@H]3C[C@@]34CCc3ccccc34)n2)nc[n-]1 ZINC000581824077 430242065 /nfs/dbraw/zinc/24/20/65/430242065.db2.gz VPIIMMGBMVGFGU-SJKOYZFVSA-N -1 3 306.325 2.604 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN1CCC[C@@H]1CCc1ccccc1 ZINC000635300586 430247313 /nfs/dbraw/zinc/24/73/13/430247313.db2.gz UQPYGYXEBHPYMY-OAHLLOKOSA-N -1 3 313.401 2.716 20 0 DFADHM Cc1ncc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c(=O)[n-]1 ZINC000543427656 430247301 /nfs/dbraw/zinc/24/73/01/430247301.db2.gz RNTFPSHFFBJLDF-YOEHRIQHSA-N -1 3 313.401 2.748 20 0 DFADHM Cc1ccc(C(C)(C)CN(C)Cc2cc(C(=O)[O-])nn2C)cc1 ZINC000635303031 430248715 /nfs/dbraw/zinc/24/87/15/430248715.db2.gz RDEGAAHRRWYSKJ-UHFFFAOYSA-N -1 3 315.417 2.836 20 0 DFADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1cc(C(=O)[O-])nn1C ZINC000635302102 430249256 /nfs/dbraw/zinc/24/92/56/430249256.db2.gz GQHDPMBXOHNAGA-UKRRQHHQSA-N -1 3 313.401 2.571 20 0 DFADHM C[C@H]1CCN(Cc2c[nH]nc2-c2ccccc2F)C[C@H]1C(=O)[O-] ZINC000566228120 430250496 /nfs/dbraw/zinc/25/04/96/430250496.db2.gz WBRJLFKWZIMHMP-SMDDNHRTSA-N -1 3 317.364 2.758 20 0 DFADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1Cc1cc(C(=O)[O-])nn1C ZINC000635311497 430252677 /nfs/dbraw/zinc/25/26/77/430252677.db2.gz QAUZMMPUYLEZKN-DVOMOZLQSA-N -1 3 313.401 2.885 20 0 DFADHM O=C([O-])c1cnoc1CN(CCc1cccc(F)c1)C1CC1 ZINC000566357886 430252823 /nfs/dbraw/zinc/25/28/23/430252823.db2.gz AHAOULCOZOMLPI-UHFFFAOYSA-N -1 3 304.321 2.719 20 0 DFADHM Cc1cccc([C@H](NCc2cc(C(=O)[O-])nn2C)C(C)C)c1 ZINC000635314768 430253437 /nfs/dbraw/zinc/25/34/37/430253437.db2.gz MMIYKYXGWLBCBY-MRXNPFEDSA-N -1 3 301.390 2.914 20 0 DFADHM COc1ccc(CNCCCCC(=O)[O-])c(Cl)c1OC ZINC000635314979 430253527 /nfs/dbraw/zinc/25/35/27/430253527.db2.gz DERRPHVCTILIOM-UHFFFAOYSA-N -1 3 301.770 2.702 20 0 DFADHM COc1ccc(CCN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000582067876 430265093 /nfs/dbraw/zinc/26/50/93/430265093.db2.gz NPXDRNRAGMFRES-UHFFFAOYSA-N -1 3 303.358 2.969 20 0 DFADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cnc(C)[n-]c1=O ZINC000544120338 430274603 /nfs/dbraw/zinc/27/46/03/430274603.db2.gz PCUBLLODFDVRGS-OCCSQVGLSA-N -1 3 306.410 2.649 20 0 DFADHM Cc1nc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)sc1C ZINC000582186722 430276400 /nfs/dbraw/zinc/27/64/00/430276400.db2.gz NQGWPLURWVGKEP-KRWDZBQOSA-N -1 3 316.426 2.988 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(-c2nc(CC3=CCCC3)no2)cc1 ZINC000544931155 430297867 /nfs/dbraw/zinc/29/78/67/430297867.db2.gz AFMGYPOWZLQCGW-UHFFFAOYSA-N -1 3 319.386 2.761 20 0 DFADHM COC1(c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)CCCC1 ZINC000635528858 430298557 /nfs/dbraw/zinc/29/85/57/430298557.db2.gz XSRPBTHLHBVHTN-UHFFFAOYSA-N -1 3 302.334 2.525 20 0 DFADHM O=C([O-])c1ccc(CN2CC3(CCC3)[C@H]3COC[C@@H]32)cc1F ZINC000582432391 430300352 /nfs/dbraw/zinc/30/03/52/430300352.db2.gz XEZJWVAPTOKWPG-ZFWWWQNUSA-N -1 3 305.349 2.525 20 0 DFADHM Cc1ccc2ncc(C(=O)[O-])c(N(C)CCCCCO)c2c1 ZINC000567978040 430300475 /nfs/dbraw/zinc/30/04/75/430300475.db2.gz UYLXNROQKUPWDF-UHFFFAOYSA-N -1 3 302.374 2.840 20 0 DFADHM [O-]c1cccc(CN2CCC[C@@H]2c2ncon2)c1Br ZINC000568044004 430309299 /nfs/dbraw/zinc/30/92/99/430309299.db2.gz KDJAVDXQIRRHAF-SNVBAGLBSA-N -1 3 324.178 2.875 20 0 DFADHM Cc1noc([C@H]2CCCN([C@@H](C)c3cc(C(=O)[O-])c(C)o3)C2)n1 ZINC000568061645 430310460 /nfs/dbraw/zinc/31/04/60/430310460.db2.gz MRZWSCGDEFEZAZ-CABZTGNLSA-N -1 3 319.361 2.918 20 0 DFADHM COc1ccccc1C[C@H]1CCCN1Cc1oncc1C(=O)[O-] ZINC000568062739 430310808 /nfs/dbraw/zinc/31/08/08/430310808.db2.gz NECYBYFIISJLIQ-CYBMUJFWSA-N -1 3 316.357 2.589 20 0 DFADHM COc1cccc([C@@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000582555349 430312157 /nfs/dbraw/zinc/31/21/57/430312157.db2.gz LTTJNNULTJTCLG-SNVBAGLBSA-N -1 3 313.357 2.559 20 0 DFADHM C[C@@H]1CN(Cc2csc(-c3ccccn3)n2)C[C@@]1(C)C(=O)[O-] ZINC000568072523 430312152 /nfs/dbraw/zinc/31/21/52/430312152.db2.gz FNVFGGUFWMJJIJ-BDJLRTHQSA-N -1 3 317.414 2.748 20 0 DFADHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC000582557518 430312475 /nfs/dbraw/zinc/31/24/75/430312475.db2.gz YNRGQFRLWAUQPP-NQBHXWOUSA-N -1 3 303.406 2.862 20 0 DFADHM CCCc1cc(N2CCO[C@H](CC(=O)[O-])C2)c2ccccc2n1 ZINC000582669099 430320853 /nfs/dbraw/zinc/32/08/53/430320853.db2.gz ZZPBXMFHNWQSPM-CQSZACIVSA-N -1 3 314.385 2.867 20 0 DFADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000568200010 430330372 /nfs/dbraw/zinc/33/03/72/430330372.db2.gz OBFWBNXQFNHDLC-NEPJUHHUSA-N -1 3 321.446 2.806 20 0 DFADHM CN(C)Cc1ccc(NC(=O)Cc2cncc([O-])c2)cc1Cl ZINC000568232169 430337239 /nfs/dbraw/zinc/33/72/39/430337239.db2.gz GZSXQDNDYVSHAI-UHFFFAOYSA-N -1 3 319.792 2.683 20 0 DFADHM Cc1c2ccccc2nc(N2C[C@@H](C)N(C)[C@@H](C)C2)c1C(=O)[O-] ZINC000568399344 430353963 /nfs/dbraw/zinc/35/39/63/430353963.db2.gz KDJAADXCBMYPIY-TXEJJXNPSA-N -1 3 313.401 2.770 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)c1cccc2nn[n-]c21)C(F)(F)F ZINC000583003854 430354303 /nfs/dbraw/zinc/35/43/03/430354303.db2.gz JEPBIASZOWSTLV-CPCISQLKSA-N -1 3 300.284 2.665 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)c1cccc2[n-]nnc21)C(F)(F)F ZINC000583003854 430354306 /nfs/dbraw/zinc/35/43/06/430354306.db2.gz JEPBIASZOWSTLV-CPCISQLKSA-N -1 3 300.284 2.665 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)c1cccc2n[n-]nc21)C(F)(F)F ZINC000583003854 430354308 /nfs/dbraw/zinc/35/43/08/430354308.db2.gz JEPBIASZOWSTLV-CPCISQLKSA-N -1 3 300.284 2.665 20 0 DFADHM Cc1ccc(C[C@H]2CCCN2C(=O)Cc2cncc([O-])c2)cc1 ZINC000568411693 430357452 /nfs/dbraw/zinc/35/74/52/430357452.db2.gz YSCPGJMMHSCPAF-QGZVFWFLSA-N -1 3 310.397 2.872 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H](C)CSc1ccccc1 ZINC000583032561 430358433 /nfs/dbraw/zinc/35/84/33/430358433.db2.gz OAEIBVHPMYNQDY-JTQLQIEISA-N -1 3 319.386 2.563 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H](C)CSc1ccccc1 ZINC000583032561 430358436 /nfs/dbraw/zinc/35/84/36/430358436.db2.gz OAEIBVHPMYNQDY-JTQLQIEISA-N -1 3 319.386 2.563 20 0 DFADHM CC(C)[C@@H](N=c1nc2[nH][n-]cc-2c(N)n1)c1ccc(Cl)cc1 ZINC000546896462 430374696 /nfs/dbraw/zinc/37/46/96/430374696.db2.gz XYDHJYOOQFWJLC-GFCCVEGCSA-N -1 3 316.796 2.771 20 0 DFADHM Cc1cc(C[N-]S(=O)(=O)CC[C@@H]2CCc3ccccc32)on1 ZINC000641299431 430378333 /nfs/dbraw/zinc/37/83/33/430378333.db2.gz UBXHAJDYMHWWAD-AWEZNQCLSA-N -1 3 320.414 2.523 20 0 DFADHM C[C@@H]1[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1(F)F ZINC000547307453 430385230 /nfs/dbraw/zinc/38/52/30/430385230.db2.gz FVRRXSQDZAIZBE-MLUIRONXSA-N -1 3 306.106 2.994 20 0 DFADHM COc1ncc(CN(C)[C@@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000583327547 430386448 /nfs/dbraw/zinc/38/64/48/430386448.db2.gz SIRKFJNUCCZYKN-LBPRGKRZSA-N -1 3 300.786 2.675 20 0 DFADHM COc1ccc(NC(=O)[C@H](CC(C)C)n2ccnc2)c([O-])c1 ZINC000635838734 430390181 /nfs/dbraw/zinc/39/01/81/430390181.db2.gz UBYXVMLCPASCLL-AWEZNQCLSA-N -1 3 303.362 2.823 20 0 DFADHM Cc1ncc(CN2CCC[C@@H](CC(=O)[O-])C2)n1-c1ccccc1 ZINC000568962375 430408916 /nfs/dbraw/zinc/40/89/16/430408916.db2.gz MKSJNIOLNRFRHY-HNNXBMFYSA-N -1 3 313.401 2.867 20 0 DFADHM Cc1ccc(F)c(C[S@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000583860868 430435651 /nfs/dbraw/zinc/43/56/51/430435651.db2.gz SLCKRHSJZPPPKO-QFIPXVFZSA-N -1 3 320.389 2.956 20 0 DFADHM O=C(NC1C2CC3CC(C2)CC1C3)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583881523 430438419 /nfs/dbraw/zinc/43/84/19/430438419.db2.gz DSAIDXIJMPXWFJ-UHFFFAOYSA-N -1 3 313.401 2.614 20 0 DFADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(F)c(F)c1C ZINC000641692837 430443501 /nfs/dbraw/zinc/44/35/01/430443501.db2.gz VGCXPRJKJJTSRH-QWHCGFSZSA-N -1 3 319.373 2.973 20 0 DFADHM Oc1[n-]c(SC[C@H]2CCCCC2(F)F)nc2nncc1-2 ZINC000569335807 430444096 /nfs/dbraw/zinc/44/40/96/430444096.db2.gz ZREIKFBGLIYPFZ-SSDOTTSWSA-N -1 3 300.334 2.976 20 0 DFADHM CC(C)n1ncc2cc(S(=O)(=O)[N-][C@H](C)C(F)F)ccc21 ZINC000641703067 430445538 /nfs/dbraw/zinc/44/55/38/430445538.db2.gz ZYKXSHVGWPCKLN-SECBINFHSA-N -1 3 317.361 2.549 20 0 DFADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc2cc[nH]c21 ZINC000548144398 430451347 /nfs/dbraw/zinc/45/13/47/430451347.db2.gz RVFSGBAPNOQLOR-UHFFFAOYSA-N -1 3 314.370 2.946 20 0 DFADHM CCC[C@@H](C)c1cc([N-]C(=O)c2ocnc2C(F)(F)F)n[nH]1 ZINC000636059800 430451680 /nfs/dbraw/zinc/45/16/80/430451680.db2.gz IPJQLOGVUWISRF-SSDOTTSWSA-N -1 3 316.283 3.572 20 0 DFADHM Cc1ccc(F)cc1CN1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000584118905 430460996 /nfs/dbraw/zinc/46/09/96/430460996.db2.gz PNZYJJSBVSBGES-IRXDYDNUSA-N -1 3 321.392 2.836 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C[C@H](C)c2ccco2)n1 ZINC000636109991 430464324 /nfs/dbraw/zinc/46/43/24/430464324.db2.gz ABAZBEWLRXVIBE-JTQLQIEISA-N -1 3 303.362 2.629 20 0 DFADHM Cc1ccc(CCC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000636113944 430464802 /nfs/dbraw/zinc/46/48/02/430464802.db2.gz LQJYUUCUHDZNJJ-UHFFFAOYSA-N -1 3 313.401 2.783 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(C(F)F)o2)n1 ZINC000636111757 430465263 /nfs/dbraw/zinc/46/52/63/430465263.db2.gz KZYRZQLICLUFGH-UHFFFAOYSA-N -1 3 311.288 2.686 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cccc3c2ccn3C)n1 ZINC000636115973 430465982 /nfs/dbraw/zinc/46/59/82/430465982.db2.gz YEWMPPHNOKKZKV-UHFFFAOYSA-N -1 3 324.384 2.647 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2cccc(Cl)c2)n1 ZINC000636115387 430466071 /nfs/dbraw/zinc/46/60/71/430466071.db2.gz OZPCLXLMVMCKTL-UHFFFAOYSA-N -1 3 319.792 2.738 20 0 DFADHM CCc1oc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1C ZINC000636115304 430466275 /nfs/dbraw/zinc/46/62/75/430466275.db2.gz NUVDCOPVRDBWNE-UHFFFAOYSA-N -1 3 303.362 2.620 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCn4cccc4[C@@H]3C)cc2[n-]1 ZINC000548410685 430471119 /nfs/dbraw/zinc/47/11/19/430471119.db2.gz MMDKFYWRUXFSLB-LBPRGKRZSA-N -1 3 324.384 2.980 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCn4cccc4[C@@H]3C)ccc2[n-]1 ZINC000548410685 430471125 /nfs/dbraw/zinc/47/11/25/430471125.db2.gz MMDKFYWRUXFSLB-LBPRGKRZSA-N -1 3 324.384 2.980 20 0 DFADHM Cc1noc(C)c1CCN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000584237308 430472036 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Cc1cccc2sc([N-]C(=O)c3nc4nccc(C)n4n3)nc21 ZINC000007747460 281326854 /nfs/dbraw/zinc/32/68/54/281326854.db2.gz VJEKUPDZPAFJFJ-UHFFFAOYSA-N -1 3 324.369 2.603 20 0 DFADHM CCc1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1[O-] ZINC000292282248 281379527 /nfs/dbraw/zinc/37/95/27/281379527.db2.gz UVVIWBXGXPXVEQ-CRAIPNDOSA-N -1 3 303.402 2.722 20 0 DFADHM CCc1ccccc1N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC000363195887 281454126 /nfs/dbraw/zinc/45/41/26/281454126.db2.gz JDDRYASTCVPPQI-UHFFFAOYSA-N -1 3 300.324 2.896 20 0 DFADHM CCOCCN(CC)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000153587169 289051937 /nfs/dbraw/zinc/05/19/37/289051937.db2.gz USEXQIRRTCPIBQ-UHFFFAOYSA-N -1 3 307.390 2.604 20 0 DFADHM C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153694088 289055667 /nfs/dbraw/zinc/05/56/67/289055667.db2.gz DKXPBYVCQWZEDG-SNVBAGLBSA-N -1 3 318.760 2.803 20 0 DFADHM CCN(CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C1CC1 ZINC000153691128 289055702 /nfs/dbraw/zinc/05/57/02/289055702.db2.gz KFAKIPDLEKVMPC-UHFFFAOYSA-N -1 3 302.296 2.834 20 0 DFADHM Cc1cc(CCNC(=O)NCc2ncccc2[O-])ccc1Cl ZINC000361611804 289070248 /nfs/dbraw/zinc/07/02/48/289070248.db2.gz UJNLSVLYTAQFON-UHFFFAOYSA-N -1 3 319.792 2.791 20 0 DFADHM CCc1nc(=NC[C@@H]2CCN(C)[C@H]2c2cccs2)s[n-]1 ZINC000363352995 289082052 /nfs/dbraw/zinc/08/20/52/289082052.db2.gz QPIUDIHQSBTTDO-GXFFZTMASA-N -1 3 308.476 2.689 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@@H]2c2ccccc2F)on1 ZINC000363359455 289082673 /nfs/dbraw/zinc/08/26/73/289082673.db2.gz UCGIELZRDBADKO-SMDDNHRTSA-N -1 3 303.337 2.896 20 0 DFADHM CN(C)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000271249831 289211124 /nfs/dbraw/zinc/21/11/24/289211124.db2.gz IZKBVFQASVOUMX-SECBINFHSA-N -1 3 317.216 2.865 20 0 DFADHM C[C@@]1(c2ccc(C(=O)N3CCC34CCC4)cc2)NC(=O)[N-]C1=O ZINC000330168556 289214186 /nfs/dbraw/zinc/21/41/86/289214186.db2.gz WIEKKJKSMCJUMT-INIZCTEOSA-N -1 3 313.357 2.555 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccs1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000331778047 289987678 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[O-]c1ccc(-c2noc(Cn3cc(-c4ccccc4)nn3)n2)cc1 ZINC000436529617 297009525 /nfs/dbraw/zinc/00/95/25/297009525.db2.gz BSNHEZYOSJKGLG-UHFFFAOYSA-N -1 3 319.324 2.749 20 0 DFADHM CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436531001 297009568 /nfs/dbraw/zinc/00/95/68/297009568.db2.gz RVDZDWJQRZKUTD-KRWDZBQOSA-N -1 3 316.445 2.683 20 0 DFADHM O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000436537694 297010264 /nfs/dbraw/zinc/01/02/64/297010264.db2.gz SRPCNVAANPDDGA-CYBMUJFWSA-N -1 3 314.360 2.788 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCO[C@H]2CCC[C@@H]21 ZINC000436543032 297010478 /nfs/dbraw/zinc/01/04/78/297010478.db2.gz CHFCZOQRVIOAJG-RDJZCZTQSA-N -1 3 301.386 2.665 20 0 DFADHM O=C(c1ccc(F)cc1[O-])N1CCN(CC2CCCCC2)CC1 ZINC000436540535 297010652 /nfs/dbraw/zinc/01/06/52/297010652.db2.gz PITIVKASBABGDC-UHFFFAOYSA-N -1 3 320.408 2.869 20 0 DFADHM Cc1ccc(C(=O)Nc2cnn(Cc3ccncc3)c2)c([O-])c1C ZINC000436539014 297010730 /nfs/dbraw/zinc/01/07/30/297010730.db2.gz XIWIUCIWCWXDAZ-UHFFFAOYSA-N -1 3 322.368 2.901 20 0 DFADHM O=C(NCC(F)(F)C(F)F)c1cc2c(cc1[O-])CCCC2 ZINC000436559024 297012536 /nfs/dbraw/zinc/01/25/36/297012536.db2.gz YEYDHIAOVSJZTJ-UHFFFAOYSA-N -1 3 305.271 2.901 20 0 DFADHM COc1cccc(C2=CCN(C(=O)c3c([O-])cccc3O)C2)c1 ZINC000436560632 297012583 /nfs/dbraw/zinc/01/25/83/297012583.db2.gz COAPMXQDZYCEIC-UHFFFAOYSA-N -1 3 311.337 2.646 20 0 DFADHM Cc1ccc(C(=O)Nc2ccccc2Cn2cncn2)c([O-])c1C ZINC000436558353 297012645 /nfs/dbraw/zinc/01/26/45/297012645.db2.gz UXTVWUCILFUFGJ-UHFFFAOYSA-N -1 3 322.368 2.901 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N[C@H]3CCCSC3)c([O-])c2O1 ZINC000436570521 297013098 /nfs/dbraw/zinc/01/30/98/297013098.db2.gz ABWWHMRWXXCJFF-NSHDSACASA-N -1 3 307.415 2.731 20 0 DFADHM COC[C@H](NC(=O)c1cccc(C)c1[O-])c1ccc(F)cc1 ZINC000436575345 297013592 /nfs/dbraw/zinc/01/35/92/297013592.db2.gz OHFWGDFXRROFKQ-HNNXBMFYSA-N -1 3 303.333 2.957 20 0 DFADHM COC[C@@H](NC(=O)c1cccc(C)c1[O-])c1ccc(F)cc1 ZINC000436575347 297013623 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COCCN(C(=O)c1ccc(OC)cc1[O-])[C@H]1CC[C@H](C)C1 ZINC000436598023 297016763 /nfs/dbraw/zinc/01/67/63/297016763.db2.gz XRBDDBGOJLNMQS-STQMWFEESA-N -1 3 307.390 2.678 20 0 DFADHM CCC(CC)[C@H](CCNC(=O)c1ccc(OC)cc1[O-])OC ZINC000436602167 297017377 /nfs/dbraw/zinc/01/73/77/297017377.db2.gz DSKJRQYQUOSIFU-INIZCTEOSA-N -1 3 309.406 2.972 20 0 DFADHM O=C(NC[C@@H]1SCCc2ccccc21)c1ccc(O)cc1[O-] ZINC000436628343 297019082 /nfs/dbraw/zinc/01/90/82/297019082.db2.gz YRGLJFQHUMHRPK-INIZCTEOSA-N -1 3 315.394 2.858 20 0 DFADHM Cc1cccc(C(=O)NCCCN2CCc3ccccc32)c1[O-] ZINC000436626475 297019183 /nfs/dbraw/zinc/01/91/83/297019183.db2.gz HWTWPCLXVDVDKR-UHFFFAOYSA-N -1 3 310.397 2.883 20 0 DFADHM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccccc1[O-] ZINC000436624075 297019316 /nfs/dbraw/zinc/01/93/16/297019316.db2.gz KBUVYZSWTIUFIZ-CQSZACIVSA-N -1 3 301.317 2.957 20 0 DFADHM CO[C@@](C)(CNC(=O)c1ccc2c(c1[O-])CCCC2)C1CC1 ZINC000436638363 297020180 /nfs/dbraw/zinc/02/01/80/297020180.db2.gz DBTKQMXSPLBPTJ-SFHVURJKSA-N -1 3 303.402 2.816 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2O)C12CCCCC2 ZINC000436647981 297020986 /nfs/dbraw/zinc/02/09/86/297020986.db2.gz OHTHFKMFRFPWOJ-CABCVRRESA-N -1 3 319.401 2.956 20 0 DFADHM CO[C@H](CNC(=O)c1c([O-])cccc1O)c1ccc(Cl)cc1 ZINC000436650090 297021435 /nfs/dbraw/zinc/02/14/35/297021435.db2.gz YMHFGJFVMMAMMG-CQSZACIVSA-N -1 3 321.760 2.869 20 0 DFADHM CCCCO[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2O)C1(C)C ZINC000436649142 297021507 /nfs/dbraw/zinc/02/15/07/297021507.db2.gz SUTRYQAOAJTDGL-UONOGXRCSA-N -1 3 307.390 2.811 20 0 DFADHM CCN(C[C@H](C)OC)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436658174 297022552 /nfs/dbraw/zinc/02/25/52/297022552.db2.gz YBQADGXCYDCGNV-NSHDSACASA-N -1 3 307.390 2.603 20 0 DFADHM Cc1ccc(C(=O)N2CC(N(C)Cc3ccccc3)C2)c([O-])c1C ZINC000436657975 297022589 /nfs/dbraw/zinc/02/25/89/297022589.db2.gz MWWKWWMUIFGJEU-UHFFFAOYSA-N -1 3 324.424 2.965 20 0 DFADHM COCc1cccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436662715 297022633 /nfs/dbraw/zinc/02/26/33/297022633.db2.gz JPEQUQBIZNFVRL-UHFFFAOYSA-N -1 3 317.341 2.808 20 0 DFADHM O=C(N[C@@H](CO)CC1CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436672742 297023535 /nfs/dbraw/zinc/02/35/35/297023535.db2.gz CEBAPCZPQNFMHL-OAHLLOKOSA-N -1 3 303.402 2.552 20 0 DFADHM Cc1ccnc([C@@H](NC(=O)c2ccc(C)c(C)c2[O-])C2CC2)n1 ZINC000436684015 297024769 /nfs/dbraw/zinc/02/47/69/297024769.db2.gz XHXJMCJSEWRKDE-HNNXBMFYSA-N -1 3 311.385 2.989 20 0 DFADHM CC(C)[C@H](O)C1(CNC(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000436682990 297024937 /nfs/dbraw/zinc/02/49/37/297024937.db2.gz SAZSGQZYZQZHRW-KRWDZBQOSA-N -1 3 317.429 2.798 20 0 DFADHM COc1cccc(C(=O)N[C@@H](C)COc2cccc(F)c2)c1[O-] ZINC000436687590 297025371 /nfs/dbraw/zinc/02/53/71/297025371.db2.gz JAAJNHHLVGGFQP-NSHDSACASA-N -1 3 319.332 2.737 20 0 DFADHM CC1CCC(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000436696794 297025685 /nfs/dbraw/zinc/02/56/85/297025685.db2.gz RAJSNGOTFKGAOL-UHFFFAOYSA-N -1 3 316.445 2.976 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(OCCCO)cc2)c([O-])c1 ZINC000436694562 297025837 /nfs/dbraw/zinc/02/58/37/297025837.db2.gz ATDNYFIETOGYLA-UHFFFAOYSA-N -1 3 315.369 2.968 20 0 DFADHM COc1cc(C(=O)N(C)Cc2ccccc2OC)ccc1[O-] ZINC000436703918 297026028 /nfs/dbraw/zinc/02/60/28/297026028.db2.gz KBFDOMDZBAUQNA-UHFFFAOYSA-N -1 3 301.342 2.682 20 0 DFADHM COc1ncccc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436749515 297031344 /nfs/dbraw/zinc/03/13/44/297031344.db2.gz YTJGGYFEPBNVCW-UHFFFAOYSA-N -1 3 300.358 2.849 20 0 DFADHM CCN1CCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436749680 297031572 /nfs/dbraw/zinc/03/15/72/297031572.db2.gz BOKSYBHHLQMELS-LLVKDONJSA-N -1 3 316.323 2.625 20 0 DFADHM COc1ccc(OC)c(NC(=O)c2cc(C)cc(OC)c2[O-])c1 ZINC000436755260 297031742 /nfs/dbraw/zinc/03/17/42/297031742.db2.gz MGHAMMJTHAQSIL-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCN1C ZINC000436754547 297031999 /nfs/dbraw/zinc/03/19/99/297031999.db2.gz ZJJGAEZRMANFGL-ONGXEEELSA-N -1 3 316.323 2.624 20 0 DFADHM CC[C@@](C)(CO)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436712062 297027275 /nfs/dbraw/zinc/02/72/75/297027275.db2.gz DQMZHXHXDFCUOT-IBGZPJMESA-N -1 3 313.397 2.874 20 0 DFADHM CCOc1ccc(CN(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000436709641 297027425 /nfs/dbraw/zinc/02/74/25/297027425.db2.gz YUTFNLVNZNWTOU-UHFFFAOYSA-N -1 3 301.342 2.769 20 0 DFADHM CN(C)CCn1nccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436710936 297027433 /nfs/dbraw/zinc/02/74/33/297027433.db2.gz BGGUGOHVUXRBDO-UHFFFAOYSA-N -1 3 324.384 2.556 20 0 DFADHM O=C(Nc1ncc(-c2ccccn2)s1)c1c([O-])cccc1O ZINC000436712502 297027435 /nfs/dbraw/zinc/02/74/35/297027435.db2.gz GFPFAPDCOPTKLK-UHFFFAOYSA-N -1 3 313.338 2.869 20 0 DFADHM COc1ccc(C(=O)N[C@H](C)c2c(F)cncc2F)c([O-])c1 ZINC000436716645 297027908 /nfs/dbraw/zinc/02/79/08/297027908.db2.gz ULKLTKBIZINAGR-MRVPVSSYSA-N -1 3 308.284 2.565 20 0 DFADHM Cc1ccc(C(=O)NCc2ccc(C[S@](C)=O)cc2)c([O-])c1 ZINC000436714771 297027938 /nfs/dbraw/zinc/02/79/38/297027938.db2.gz VBGIPXYWNJGRQP-QFIPXVFZSA-N -1 3 317.410 2.509 20 0 DFADHM C[C@H](CO)[C@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436721057 297028328 /nfs/dbraw/zinc/02/83/28/297028328.db2.gz LBTWAHCGYLIAKV-OLZOCXBDSA-N -1 3 315.369 2.931 20 0 DFADHM O=C(NCCc1cc(C(F)(F)F)ccn1)c1ccccc1[O-] ZINC000436725169 297028831 /nfs/dbraw/zinc/02/88/31/297028831.db2.gz RGMJFTXQKJOCPN-UHFFFAOYSA-N -1 3 310.275 2.779 20 0 DFADHM COCCN(C(=O)c1ccc(OC)cc1[O-])[C@H]1CCC[C@H]1C ZINC000436733233 297029464 /nfs/dbraw/zinc/02/94/64/297029464.db2.gz USPVQGGBULGBLG-DOMZBBRYSA-N -1 3 307.390 2.678 20 0 DFADHM CCOC(=O)c1sc(NC(=O)c2cccc(C)c2[O-])nc1C ZINC000436732603 297029527 /nfs/dbraw/zinc/02/95/27/297029527.db2.gz AAHGTUVPFAGPOB-UHFFFAOYSA-N -1 3 320.370 2.895 20 0 DFADHM COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1[O-])CCO2 ZINC000436739531 297029797 /nfs/dbraw/zinc/02/97/97/297029797.db2.gz OLMIKKVRBWESAR-HNNXBMFYSA-N -1 3 313.353 2.963 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000436742208 297030438 /nfs/dbraw/zinc/03/04/38/297030438.db2.gz VRPJWBFPFLNHFS-AWEZNQCLSA-N -1 3 305.761 2.817 20 0 DFADHM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2c([O-])cccc2O)c1 ZINC000436740800 297030487 /nfs/dbraw/zinc/03/04/87/297030487.db2.gz RKPUNUKFQCANQY-ZIAGYGMSSA-N -1 3 313.353 2.782 20 0 DFADHM CCCNC(=O)CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436746913 297030850 /nfs/dbraw/zinc/03/08/50/297030850.db2.gz IGOBEYYBVWKITD-UHFFFAOYSA-N -1 3 320.433 2.895 20 0 DFADHM COc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cn1 ZINC000436775638 297033441 /nfs/dbraw/zinc/03/34/41/297033441.db2.gz QXLXQXMFZAZJCV-UHFFFAOYSA-N -1 3 314.341 2.762 20 0 DFADHM CC(C)c1noc(CCc2nc(-c3ccc([O-])cc3)no2)n1 ZINC000436770444 297033507 /nfs/dbraw/zinc/03/35/07/297033507.db2.gz RHWHGAGPPUHPMQ-UHFFFAOYSA-N -1 3 300.318 2.734 20 0 DFADHM CCOC(=O)[C@H](NC(=O)c1ccc([O-])c(C)c1)c1ccccc1 ZINC000436795943 297034733 /nfs/dbraw/zinc/03/47/33/297034733.db2.gz SLRRLHFHSHUPEZ-MRXNPFEDSA-N -1 3 313.353 2.735 20 0 DFADHM CCc1cnccc1[C@H](C)NC(=O)c1cc(OC)ccc1[O-] ZINC000436793774 297034880 /nfs/dbraw/zinc/03/48/80/297034880.db2.gz SORRQRWWPZVZGA-NSHDSACASA-N -1 3 300.358 2.849 20 0 DFADHM COc1cccc(C(=O)N(C)CCCC(=O)OC(C)(C)C)c1[O-] ZINC000436795452 297034908 /nfs/dbraw/zinc/03/49/08/297034908.db2.gz FRTHBXXCOAWMCE-UHFFFAOYSA-N -1 3 323.389 2.595 20 0 DFADHM CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000436794037 297034988 /nfs/dbraw/zinc/03/49/88/297034988.db2.gz UXEOBTQUEABKOW-TVQRCGJNSA-N -1 3 314.788 2.643 20 0 DFADHM O=C(c1ccccc1[O-])N1CCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC000436792571 297035035 /nfs/dbraw/zinc/03/50/35/297035035.db2.gz NVXUQPDDJCAXBF-CYBMUJFWSA-N -1 3 324.371 2.585 20 0 DFADHM O=C(CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000436802428 297035475 /nfs/dbraw/zinc/03/54/75/297035475.db2.gz IDLYGHLZTHDAMN-UHFFFAOYSA-N -1 3 323.392 2.886 20 0 DFADHM CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000436806054 297035743 /nfs/dbraw/zinc/03/57/43/297035743.db2.gz GUWAVQSVCJRCGI-CQSZACIVSA-N -1 3 310.825 2.896 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])ccn1 ZINC000436812298 297036245 /nfs/dbraw/zinc/03/62/45/297036245.db2.gz LQCDCPWJSLIOJA-UHFFFAOYSA-N -1 3 320.732 2.788 20 0 DFADHM Cn1c(NC(=O)c2c([O-])cccc2O)nc2c1cccc2Cl ZINC000436817266 297036429 /nfs/dbraw/zinc/03/64/29/297036429.db2.gz ADZBLPPWPHASJV-UHFFFAOYSA-N -1 3 317.732 2.890 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(CNC(C)=O)cc2)c([O-])c1 ZINC000436815260 297036747 /nfs/dbraw/zinc/03/67/47/297036747.db2.gz KKPAYWARIWFUOB-UHFFFAOYSA-N -1 3 312.369 2.843 20 0 DFADHM COCCN(Cc1scnc1C)C(=O)c1ccc([O-])c(C)c1 ZINC000436822867 297036870 /nfs/dbraw/zinc/03/68/70/297036870.db2.gz RKILOUMRSQFUPZ-UHFFFAOYSA-N -1 3 320.414 2.754 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)c([O-])c1 ZINC000436829997 297037888 /nfs/dbraw/zinc/03/78/88/297037888.db2.gz CARWELHAVFLCCB-HUUCEWRRSA-N -1 3 303.402 2.843 20 0 DFADHM CCc1ccc(C(=O)N[C@](C)(COC)C(F)(F)F)c([O-])c1 ZINC000436831385 297038135 /nfs/dbraw/zinc/03/81/35/297038135.db2.gz FWYZMNTVBSAOLN-CYBMUJFWSA-N -1 3 305.296 2.652 20 0 DFADHM COCC[C@@H](Cc1ccco1)NC(=O)c1ccc([O-])c(C)c1 ZINC000436831692 297038373 /nfs/dbraw/zinc/03/83/73/297038373.db2.gz YJVAOMRDVNGGAK-AWEZNQCLSA-N -1 3 303.358 2.671 20 0 DFADHM COc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C)c1[O-] ZINC000436832733 297038653 /nfs/dbraw/zinc/03/86/53/297038653.db2.gz JZSMVJMFYLQOEA-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](COC)c2ccc(C)o2)c([O-])c1 ZINC000436835777 297038973 /nfs/dbraw/zinc/03/89/73/297038973.db2.gz XCAWJOKVWSWIRZ-AWEZNQCLSA-N -1 3 303.358 2.974 20 0 DFADHM COc1ccncc1CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436835782 297039036 /nfs/dbraw/zinc/03/90/36/297039036.db2.gz FKKWLLCKRKGSCP-UHFFFAOYSA-N -1 3 312.369 2.605 20 0 DFADHM COc1cc2c(cc1F)CN(C(=O)c1ccccc1[O-])CC2 ZINC000436843378 297039148 /nfs/dbraw/zinc/03/91/48/297039148.db2.gz ZBAPNXWSYDCFFU-UHFFFAOYSA-N -1 3 301.317 2.738 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H](CO)CC2CCC2)c([O-])c1 ZINC000436840263 297039373 /nfs/dbraw/zinc/03/93/73/297039373.db2.gz PAMGQLZZOBVUCL-CQSZACIVSA-N -1 3 321.417 2.852 20 0 DFADHM COC(=O)C(C)(C)CCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436846618 297039806 /nfs/dbraw/zinc/03/98/06/297039806.db2.gz IDABNIMQNSUHMO-UHFFFAOYSA-N -1 3 319.401 2.590 20 0 DFADHM COc1cccc(C(=O)Nc2cc(OC)c(C)c(OC)c2)c1[O-] ZINC000436853701 297040211 /nfs/dbraw/zinc/04/02/11/297040211.db2.gz CVSZTYCGUDFTLL-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H](C)CCc2ccco2)cc1[O-] ZINC000436856959 297040225 /nfs/dbraw/zinc/04/02/25/297040225.db2.gz BIAOFTPBMPDPKQ-NSHDSACASA-N -1 3 301.342 2.939 20 0 DFADHM COC(=O)C1(CNC(=O)c2cc(C)ccc2[O-])CCCCC1 ZINC000436859633 297040414 /nfs/dbraw/zinc/04/04/14/297040414.db2.gz BPNLHSSCRVQXGR-UHFFFAOYSA-N -1 3 305.374 2.554 20 0 DFADHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)[C@@H]1CCCCO1 ZINC000436881905 297041485 /nfs/dbraw/zinc/04/14/85/297041485.db2.gz VRZWNNCPRWEBOE-SJCJKPOMSA-N -1 3 303.402 2.958 20 0 DFADHM COc1cccc(C(=O)N[C@H](CO)c2ccc(Cl)cc2)c1[O-] ZINC000436903911 297043603 /nfs/dbraw/zinc/04/36/03/297043603.db2.gz XONQUTOREILSNK-CYBMUJFWSA-N -1 3 321.760 2.518 20 0 DFADHM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1c([O-])cccc1O ZINC000436908178 297043770 /nfs/dbraw/zinc/04/37/70/297043770.db2.gz UOEFSAWSXPKAPF-GFCCVEGCSA-N -1 3 317.316 2.881 20 0 DFADHM CCc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)c([O-])c1 ZINC000436908580 297044021 /nfs/dbraw/zinc/04/40/21/297044021.db2.gz JOTZEENGIVVWGH-OAHLLOKOSA-N -1 3 302.418 2.701 20 0 DFADHM CC(C)(C)C1=CCN(CCNC(=O)c2ccc([O-])cc2F)CC1 ZINC000436913442 297044552 /nfs/dbraw/zinc/04/45/52/297044552.db2.gz GMFDFQZBBNBJBK-UHFFFAOYSA-N -1 3 320.408 2.939 20 0 DFADHM Cc1cn2ccnc(C(=O)Nc3cc(Cl)ccc3[O-])c2n1 ZINC000436924712 297044965 /nfs/dbraw/zinc/04/49/65/297044965.db2.gz DPFJXKJFIGXRDN-UHFFFAOYSA-N -1 3 302.721 2.649 20 0 DFADHM CC[C@H](C)c1ncc(NC(=O)c2cc(OC)ccc2[O-])cn1 ZINC000436922187 297045092 /nfs/dbraw/zinc/04/50/92/297045092.db2.gz LZVRTYRIRNXNOY-JTQLQIEISA-N -1 3 301.346 2.957 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@H]2CCCCO2)c([O-])c1 ZINC000436976364 297049549 /nfs/dbraw/zinc/04/95/49/297049549.db2.gz BYXHCSKTFMDYKV-AWEZNQCLSA-N -1 3 307.390 2.870 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2CCc3cn(C(C)C)nc3C2)ccc1[O-] ZINC000436928745 297045511 /nfs/dbraw/zinc/04/55/11/297045511.db2.gz CAXAQISAIDWZOW-OAHLLOKOSA-N -1 3 313.401 2.765 20 0 DFADHM CCc1cccc(NC(=O)CNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436929464 297045566 /nfs/dbraw/zinc/04/55/66/297045566.db2.gz URQUQJQBUJDMRY-UHFFFAOYSA-N -1 3 312.369 2.632 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc2c(c1[O-])CCCC2 ZINC000436974932 297049578 /nfs/dbraw/zinc/04/95/78/297049578.db2.gz DLBCZVOJCLJXBR-OIISXLGYSA-N -1 3 315.413 2.958 20 0 DFADHM COC[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1ccc(F)cc1 ZINC000436939128 297046164 /nfs/dbraw/zinc/04/61/64/297046164.db2.gz NTVAWRQCDNOZEX-OAHLLOKOSA-N -1 3 303.333 2.957 20 0 DFADHM CCc1ccc([O-])c(-c2nc(-c3ccc(CC(N)=O)cc3)no2)c1 ZINC000436936885 297046509 /nfs/dbraw/zinc/04/65/09/297046509.db2.gz DCOZFHFUKCXELR-UHFFFAOYSA-N -1 3 323.352 2.699 20 0 DFADHM CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436964712 297048168 /nfs/dbraw/zinc/04/81/68/297048168.db2.gz QIRVQLUUGMHOAD-OCCSQVGLSA-N -1 3 303.402 2.911 20 0 DFADHM CCCCOc1ccc(C(=O)NCCn2ccnc2C)c([O-])c1 ZINC000436971313 297049014 /nfs/dbraw/zinc/04/90/14/297049014.db2.gz JLEZSELKDOHMNO-UHFFFAOYSA-N -1 3 317.389 2.506 20 0 DFADHM CCCCOc1ccc(C(=O)NCCOC(F)(F)F)c([O-])c1 ZINC000436977623 297049371 /nfs/dbraw/zinc/04/93/71/297049371.db2.gz FFHKUAIHFKTCHK-UHFFFAOYSA-N -1 3 321.295 2.837 20 0 DFADHM CCC[C@@H](CCO)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436976225 297049403 /nfs/dbraw/zinc/04/94/03/297049403.db2.gz OSLDRALNKRVHIY-ZDUSSCGKSA-N -1 3 305.418 2.800 20 0 DFADHM Cc1cccc(C(=O)NCc2noc(-c3ccccc3C)n2)c1[O-] ZINC000436975427 297049444 /nfs/dbraw/zinc/04/94/44/297049444.db2.gz KOVQTZUUKDBVJZ-UHFFFAOYSA-N -1 3 323.352 2.989 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@](C)(O)C(C)C)c([O-])c1 ZINC000436985983 297050396 /nfs/dbraw/zinc/05/03/96/297050396.db2.gz IUFKTCMOJWMRTD-KRWDZBQOSA-N -1 3 309.406 2.708 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000436988431 297050749 /nfs/dbraw/zinc/05/07/49/297050749.db2.gz PGZFAJVRLMMEMX-CHWSQXEVSA-N -1 3 307.390 2.868 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@]2(C)CCCO2)c([O-])c1 ZINC000436988887 297050897 /nfs/dbraw/zinc/05/08/97/297050897.db2.gz PYMPYICPXAMEDB-QGZVFWFLSA-N -1 3 307.390 2.870 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)c([O-])c1C ZINC000437004301 297052129 /nfs/dbraw/zinc/05/21/29/297052129.db2.gz MGIIFQJCWRGISL-ROUUACIJSA-N -1 3 324.424 2.837 20 0 DFADHM COc1ccc(N[C@H](C)c2ccncc2)cc1[N-]S(C)(=O)=O ZINC000173879715 295164550 /nfs/dbraw/zinc/16/45/50/295164550.db2.gz ZLHSDCRKRXTBEU-LLVKDONJSA-N -1 3 321.402 2.635 20 0 DFADHM Cc1cc(C(=O)NCCCCNC(=O)OC(C)(C)C)ccc1[O-] ZINC000495282763 299916674 /nfs/dbraw/zinc/91/66/74/299916674.db2.gz XMWLVBWJSSXZLX-UHFFFAOYSA-N -1 3 322.405 2.735 20 0 DFADHM COC(=O)c1sc(NC(=O)c2ccc(C)cc2[O-])nc1C ZINC000154161618 295293291 /nfs/dbraw/zinc/29/32/91/295293291.db2.gz GWAOLQYOFWCRPR-UHFFFAOYSA-N -1 3 306.343 2.504 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])c1ncn(-c2ccccc2)n1 ZINC000154500172 295301697 /nfs/dbraw/zinc/30/16/97/295301697.db2.gz QHLFBHKTHMOAOS-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM CCOc1cc(C)ccc1CNC(=O)c1ccc(O)cc1[O-] ZINC000155125578 295313431 /nfs/dbraw/zinc/31/34/31/295313431.db2.gz MWPIJRJIZOGZIN-UHFFFAOYSA-N -1 3 301.342 2.735 20 0 DFADHM CCOCCCC[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000155411663 295318368 /nfs/dbraw/zinc/31/83/68/295318368.db2.gz DJYVOCLUBMTDFG-UHFFFAOYSA-N -1 3 323.817 2.883 20 0 DFADHM O=C(CSCc1cccnc1)N1CCCc2cccc([O-])c21 ZINC000155661388 295322898 /nfs/dbraw/zinc/32/28/98/295322898.db2.gz FSRFWSBICXTUPX-UHFFFAOYSA-N -1 3 314.410 3.000 20 0 DFADHM Cc1ccc(NC(=O)C2(CNC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000495388102 299923685 /nfs/dbraw/zinc/92/36/85/299923685.db2.gz PMRQQQYGZHPIJS-UHFFFAOYSA-N -1 3 320.389 2.944 20 0 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CCC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000294469215 527761357 /nfs/dbraw/zinc/76/13/57/527761357.db2.gz CRZUPOSQGOWSST-UKRRQHHQSA-N -1 3 313.405 2.699 20 0 DFADHM CCOC(=O)c1cc(C(=O)OCc2cc(C)sn2)[n-]c1C ZINC000298810316 528156127 /nfs/dbraw/zinc/15/61/27/528156127.db2.gz XRQXBQIKAOBTGI-UHFFFAOYSA-N -1 3 308.359 2.622 20 0 DFADHM CCOc1cc(C(=O)[N-]c2ccc3oc(N(C)C)nc3c2)on1 ZINC000294940135 528238269 /nfs/dbraw/zinc/23/82/69/528238269.db2.gz LYVWJDUPEOAYNB-UHFFFAOYSA-N -1 3 316.317 2.533 20 0 DFADHM CCOC(=O)c1ccccc1[N-]C(=O)c1cc(OCC)no1 ZINC000294589495 528264414 /nfs/dbraw/zinc/26/44/14/528264414.db2.gz MYGBJSNUULTLKF-UHFFFAOYSA-N -1 3 304.302 2.502 20 0 DFADHM CCOc1ccc(C(=O)Nc2nnc(SC)[n-]2)cc1OCC ZINC000299613574 528408870 /nfs/dbraw/zinc/40/88/70/528408870.db2.gz ZIWNNFPMGLOQGD-UHFFFAOYSA-N -1 3 322.390 2.576 20 0 DFADHM CCOc1ccc(C(=O)Nc2nc(SC)n[n-]2)cc1OCC ZINC000299613574 528408874 /nfs/dbraw/zinc/40/88/74/528408874.db2.gz ZIWNNFPMGLOQGD-UHFFFAOYSA-N -1 3 322.390 2.576 20 0 DFADHM CCOc1ccc(C(=O)Nc2n[n-]c(SC)n2)cc1OCC ZINC000299613574 528408875 /nfs/dbraw/zinc/40/88/75/528408875.db2.gz ZIWNNFPMGLOQGD-UHFFFAOYSA-N -1 3 322.390 2.576 20 0 DFADHM CCOc1ccc(N(CC)C(=O)c2ccc(C(=O)OC)[n-]2)cc1 ZINC000292794946 528479892 /nfs/dbraw/zinc/47/98/92/528479892.db2.gz VDBJUOJSXNUSRW-UHFFFAOYSA-N -1 3 316.357 2.867 20 0 DFADHM CC(C)C[C@H]1CCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000328777746 528590687 /nfs/dbraw/zinc/59/06/87/528590687.db2.gz DGNYGNVZVRAXBT-CYBMUJFWSA-N -1 3 321.446 2.519 20 0 DFADHM CC[C@H](CC1CCCCC1)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000328936769 529321550 /nfs/dbraw/zinc/32/15/50/529321550.db2.gz JOSNNTWHHJNILJ-ZIAGYGMSSA-N -1 3 321.421 2.586 20 0 DFADHM CC(C)Cn1cnc(S(=O)(=O)[N-]C/C=C\c2ccccc2)c1 ZINC000255086795 534918612 /nfs/dbraw/zinc/91/86/12/534918612.db2.gz JUVVHHQBYDMUES-TWGQIWQCSA-N -1 3 319.430 2.531 20 0 DFADHM CC1(C)[C@H](NC(=O)Cc2ccc([O-])cc2Cl)[C@@H]2CCO[C@H]21 ZINC000247653475 535050672 /nfs/dbraw/zinc/05/06/72/535050672.db2.gz WSNWGPVGLRAZJJ-NILFDRSVSA-N -1 3 309.793 2.518 20 0 DFADHM CC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000358887092 535155690 /nfs/dbraw/zinc/15/56/90/535155690.db2.gz ZPTAZNOBZNTWHD-UHFFFAOYSA-N -1 3 311.300 2.923 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000172092188 536817575 /nfs/dbraw/zinc/81/75/75/536817575.db2.gz PENKEHVLUUWKIU-NSHDSACASA-N -1 3 318.398 2.877 20 0 DFADHM COc1cccc(-c2nc(Cc3ccc4c(c3)CCO4)no2)c1[O-] ZINC000680722137 545534309 /nfs/dbraw/zinc/53/43/09/545534309.db2.gz DEQGMTZOHLQKPZ-UHFFFAOYSA-N -1 3 324.336 2.977 20 0 DFADHM CCc1nccn1[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681042327 545587500 /nfs/dbraw/zinc/58/75/00/545587500.db2.gz RDGDWCJZJWKCQY-ZDUSSCGKSA-N -1 3 317.364 2.768 20 0 DFADHM CCCn1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)nn1 ZINC000681088698 545594660 /nfs/dbraw/zinc/59/46/60/545594660.db2.gz ITXGQIZXMAXREA-LLVKDONJSA-N -1 3 300.362 2.548 20 0 DFADHM C[C@H](CNC(=O)Cc1ccc(Br)cc1[O-])C1CC1 ZINC000682030352 545778378 /nfs/dbraw/zinc/77/83/78/545778378.db2.gz ZIQCODWIEJKBFR-SECBINFHSA-N -1 3 312.207 2.860 20 0 DFADHM CC(C)C1CN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000682034389 545780224 /nfs/dbraw/zinc/78/02/24/545780224.db2.gz YEVLYFSVUYNFDW-UHFFFAOYSA-N -1 3 312.207 2.812 20 0 DFADHM COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000682151798 545804900 /nfs/dbraw/zinc/80/49/00/545804900.db2.gz VKOFKXIFCUOKBL-NSHDSACASA-N -1 3 310.357 2.766 20 0 DFADHM COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000682151798 545804902 /nfs/dbraw/zinc/80/49/02/545804902.db2.gz VKOFKXIFCUOKBL-NSHDSACASA-N -1 3 310.357 2.766 20 0 DFADHM COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000682151798 545804904 /nfs/dbraw/zinc/80/49/04/545804904.db2.gz VKOFKXIFCUOKBL-NSHDSACASA-N -1 3 310.357 2.766 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000682158707 545807258 /nfs/dbraw/zinc/80/72/58/545807258.db2.gz HRJCZTABGWYICG-CQSZACIVSA-N -1 3 322.368 2.642 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000682158707 545807264 /nfs/dbraw/zinc/80/72/64/545807264.db2.gz HRJCZTABGWYICG-CQSZACIVSA-N -1 3 322.368 2.642 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000682158707 545807266 /nfs/dbraw/zinc/80/72/66/545807266.db2.gz HRJCZTABGWYICG-CQSZACIVSA-N -1 3 322.368 2.642 20 0 DFADHM CO[C@@]1(C(F)(F)F)CCCN(Cc2nc(C)ccc2[O-])C1 ZINC000682167745 545812043 /nfs/dbraw/zinc/81/20/43/545812043.db2.gz WCTJDXOVUPXFMV-ZDUSSCGKSA-N -1 3 304.312 2.639 20 0 DFADHM CCc1ccc(C(=O)NCCc2cn3cccc(C)c3n2)c([O-])c1 ZINC000682507398 545862984 /nfs/dbraw/zinc/86/29/84/545862984.db2.gz LQGZBZIGKXPUBG-UHFFFAOYSA-N -1 3 323.396 2.883 20 0 DFADHM Cc1cc(C)c(NC(=O)c2c[n-]nc2-c2ccncc2)cc1CO ZINC000682585516 545879829 /nfs/dbraw/zinc/87/98/29/545879829.db2.gz YFJZASWCKLOSNT-UHFFFAOYSA-N -1 3 322.368 2.833 20 0 DFADHM Cc1cc(C)c(NC(=O)c2cn[n-]c2-c2ccncc2)cc1CO ZINC000682585516 545879835 /nfs/dbraw/zinc/87/98/35/545879835.db2.gz YFJZASWCKLOSNT-UHFFFAOYSA-N -1 3 322.368 2.833 20 0 DFADHM C[C@H](CO)N(CC1CCC1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000682595646 545881352 /nfs/dbraw/zinc/88/13/52/545881352.db2.gz VFOZKLMVIOVYEA-CYBMUJFWSA-N -1 3 317.429 2.894 20 0 DFADHM Cc1cc(C(=O)NC[C@H](c2ccnn2C)C(C)C)ccc1[O-] ZINC000682684391 545897101 /nfs/dbraw/zinc/89/71/01/545897101.db2.gz GEJIIKJXNZBBSC-AWEZNQCLSA-N -1 3 301.390 2.604 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2cc(=O)c3ccccc3[n-]2)nc1 ZINC000682816174 545920580 /nfs/dbraw/zinc/92/05/80/545920580.db2.gz LNWYCMRVCBWFDL-UHFFFAOYSA-N -1 3 307.353 2.504 20 0 DFADHM C[C@H](c1ccccc1)n1ccc(NC(=O)[N-]c2cnns2)n1 ZINC000683152907 545981200 /nfs/dbraw/zinc/98/12/00/545981200.db2.gz FUJZOOSSYXOGRN-SNVBAGLBSA-N -1 3 314.374 2.988 20 0 DFADHM CCOc1cccc(CNC[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000683172677 545983709 /nfs/dbraw/zinc/98/37/09/545983709.db2.gz YGRAKTVUVDYOIG-OAHLLOKOSA-N -1 3 314.385 2.513 20 0 DFADHM CC(C)[C@@H](CNCc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000683172541 545984019 /nfs/dbraw/zinc/98/40/19/545984019.db2.gz XFOWHKGGJIEZHL-LLVKDONJSA-N -1 3 309.797 2.673 20 0 DFADHM CCc1cccc(C(=O)N[C@H]2CCc3cc(O)ccc3C2)c1[O-] ZINC000683508662 546047560 /nfs/dbraw/zinc/04/75/60/546047560.db2.gz KNURBOPKQRNWMQ-HNNXBMFYSA-N -1 3 311.381 2.948 20 0 DFADHM [O-]c1cncc(/C=C\c2nc([C@@H]3COc4ccccc4O3)no2)c1 ZINC000683593159 546065833 /nfs/dbraw/zinc/06/58/33/546065833.db2.gz AFCJTKJQOCNJHD-YVACAVLKSA-N -1 3 323.308 2.853 20 0 DFADHM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc([O-])c(F)c1 ZINC000683648023 546072307 /nfs/dbraw/zinc/07/23/07/546072307.db2.gz OUGQLMAWGQFECT-UHFFFAOYSA-N -1 3 305.353 2.824 20 0 DFADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cnccc2C)C2CC2)s1 ZINC000683894632 546114947 /nfs/dbraw/zinc/11/49/47/546114947.db2.gz ZSMAYVWDWWTZIQ-ZDUSSCGKSA-N -1 3 323.443 2.585 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000683949964 546126379 /nfs/dbraw/zinc/12/63/79/546126379.db2.gz HMFSNDCFWMIQGB-QWHCGFSZSA-N -1 3 323.393 2.507 20 0 DFADHM CO[C@]1(C(F)(F)F)CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000684095438 546150853 /nfs/dbraw/zinc/15/08/53/546150853.db2.gz HHYICFRFRHGEDQ-ZWNOBZJWSA-N -1 3 319.327 2.595 20 0 DFADHM CCCn1cc(C(=O)[N-]c2cc(-c3ccccc3F)on2)nn1 ZINC000684154096 546159455 /nfs/dbraw/zinc/15/94/55/546159455.db2.gz YKKKNYHUJKPKNZ-UHFFFAOYSA-N -1 3 315.308 2.735 20 0 DFADHM CO[C@H](CNC(=O)c1csc(=O)[n-]1)c1ccccc1Cl ZINC000684289489 546188635 /nfs/dbraw/zinc/18/86/35/546188635.db2.gz CIQAAZQEUDKWPF-LLVKDONJSA-N -1 3 312.778 2.620 20 0 DFADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)c1csc(=O)[n-]1 ZINC000684292302 546189725 /nfs/dbraw/zinc/18/97/25/546189725.db2.gz OKKBVPNKZWKJKC-LLVKDONJSA-N -1 3 305.403 2.786 20 0 DFADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ncccc2[O-])o1 ZINC000684350525 546197503 /nfs/dbraw/zinc/19/75/03/546197503.db2.gz RRCPCDQSYPLALT-DGCLKSJQSA-N -1 3 300.358 2.753 20 0 DFADHM CCc1cnc(C[N-]S(=O)(=O)c2c(CC)cccc2CC)o1 ZINC000684588837 546248022 /nfs/dbraw/zinc/24/80/22/546248022.db2.gz PMCBWSOUMTWVEH-UHFFFAOYSA-N -1 3 322.430 2.840 20 0 DFADHM Cc1ncc(CNC(=O)CC2CC(c3ccccc3)C2)c(=O)[n-]1 ZINC000684980259 546312742 /nfs/dbraw/zinc/31/27/42/546312742.db2.gz DRGIJNHRJXQUQC-UHFFFAOYSA-N -1 3 311.385 2.691 20 0 DFADHM CCc1ccc(-c2nc(-c3cccc(C(N)=O)c3)no2)c([O-])c1 ZINC000685245359 546332251 /nfs/dbraw/zinc/33/22/51/546332251.db2.gz DFZFHLPHHSXUIF-UHFFFAOYSA-N -1 3 309.325 2.771 20 0 DFADHM CN1CC[C@@H](NCc2ncccc2[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000685425694 546347724 /nfs/dbraw/zinc/34/77/24/546347724.db2.gz BOCJILSSYXNKRC-PBHICJAKSA-N -1 3 317.820 2.976 20 0 DFADHM O=C(NCC1(c2ccccn2)CC1)c1cc([O-])ccc1Cl ZINC000685825087 546394972 /nfs/dbraw/zinc/39/49/72/546394972.db2.gz YTXYUWRILRKSHQ-UHFFFAOYSA-N -1 3 302.761 2.902 20 0 DFADHM C[C@]1(C(N)=O)CCCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000685843386 546397290 /nfs/dbraw/zinc/39/72/90/546397290.db2.gz FWWOYHOBYJKTIA-CQSZACIVSA-N -1 3 316.323 2.641 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000736243570 598838511 /nfs/dbraw/zinc/83/85/11/598838511.db2.gz WGPZSVZTHKQEHW-UHIISALHSA-N -1 3 314.393 2.813 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000736243570 598838512 /nfs/dbraw/zinc/83/85/12/598838512.db2.gz WGPZSVZTHKQEHW-UHIISALHSA-N -1 3 314.393 2.813 20 0 DFADHM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736384272 598844892 /nfs/dbraw/zinc/84/48/92/598844892.db2.gz WRTZCADQBLPVGJ-CQSZACIVSA-N -1 3 309.329 2.570 20 0 DFADHM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736384272 598844893 /nfs/dbraw/zinc/84/48/93/598844893.db2.gz WRTZCADQBLPVGJ-CQSZACIVSA-N -1 3 309.329 2.570 20 0 DFADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)Oc1ccccc1 ZINC000736027242 598869175 /nfs/dbraw/zinc/86/91/75/598869175.db2.gz ZZIWPGSZDUUTSU-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CC(C)(C)C ZINC000736037092 598884204 /nfs/dbraw/zinc/88/42/04/598884204.db2.gz JGYOLQULJFQMJP-NSHDSACASA-N -1 3 318.377 2.613 20 0 DFADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CC(C)(C)C ZINC000736037092 598884206 /nfs/dbraw/zinc/88/42/06/598884206.db2.gz JGYOLQULJFQMJP-NSHDSACASA-N -1 3 318.377 2.613 20 0 DFADHM CC[C@](C)(NCc1ccc(-c2nn[n-]n2)cc1)c1nccs1 ZINC000736314924 598887273 /nfs/dbraw/zinc/88/72/73/598887273.db2.gz FUBWWZHDQOFLKJ-HNNXBMFYSA-N -1 3 314.418 2.738 20 0 DFADHM C[C@H]1CC(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000736222865 598888395 /nfs/dbraw/zinc/88/83/95/598888395.db2.gz GTZQPZZOBROXGW-GHMZBOCLSA-N -1 3 314.393 2.813 20 0 DFADHM C[C@H]1CC(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000736222865 598888396 /nfs/dbraw/zinc/88/83/96/598888396.db2.gz GTZQPZZOBROXGW-GHMZBOCLSA-N -1 3 314.393 2.813 20 0 DFADHM CC(C)[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120121 598890281 /nfs/dbraw/zinc/89/02/81/598890281.db2.gz XHJGGTFDVPRDSV-RYUDHWBXSA-N -1 3 316.409 2.519 20 0 DFADHM CC(C)[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120121 598890282 /nfs/dbraw/zinc/89/02/82/598890282.db2.gz XHJGGTFDVPRDSV-RYUDHWBXSA-N -1 3 316.409 2.519 20 0 DFADHM CCCC(O)(CCC)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736435440 599530062 /nfs/dbraw/zinc/53/00/62/599530062.db2.gz LRDHLNVVSRGOQD-UHFFFAOYSA-N -1 3 324.816 2.658 20 0 DFADHM CC[C@H](O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736379822 598895524 /nfs/dbraw/zinc/89/55/24/598895524.db2.gz DSQRKFXSNWKFBK-INIZCTEOSA-N -1 3 310.357 2.889 20 0 DFADHM CC[C@H](O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736379822 598895525 /nfs/dbraw/zinc/89/55/25/598895525.db2.gz DSQRKFXSNWKFBK-INIZCTEOSA-N -1 3 310.357 2.889 20 0 DFADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1sccc1-c1nnn[n-]1 ZINC000736261597 598906742 /nfs/dbraw/zinc/90/67/42/598906742.db2.gz KVVAKCVQBIFTHU-GHMZBOCLSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1sccc1-c1nn[n-]n1 ZINC000736261597 598906744 /nfs/dbraw/zinc/90/67/44/598906744.db2.gz KVVAKCVQBIFTHU-GHMZBOCLSA-N -1 3 319.434 2.874 20 0 DFADHM O=C(NCc1coc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000738123470 598909954 /nfs/dbraw/zinc/90/99/54/598909954.db2.gz FDJDLDOECORLNL-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM O=C(NCc1coc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000738123470 598909955 /nfs/dbraw/zinc/90/99/55/598909955.db2.gz FDJDLDOECORLNL-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM Cc1cn2cc(Nc3cccc(F)c3-c3nnn[n-]3)ccc2n1 ZINC000737445885 598933525 /nfs/dbraw/zinc/93/35/25/598933525.db2.gz LCIMECAGMBBENU-UHFFFAOYSA-N -1 3 309.308 2.706 20 0 DFADHM Cc1csc(Sc2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000737453780 598934867 /nfs/dbraw/zinc/93/48/67/598934867.db2.gz SFHZXXWQCGUEMF-UHFFFAOYSA-N -1 3 310.795 2.831 20 0 DFADHM Cc1csc(Sc2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000737453780 598934869 /nfs/dbraw/zinc/93/48/69/598934869.db2.gz SFHZXXWQCGUEMF-UHFFFAOYSA-N -1 3 310.795 2.831 20 0 DFADHM Cc1ccc2oc(NCc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000737380264 598937320 /nfs/dbraw/zinc/93/73/20/598937320.db2.gz NICRRTOBKOXMPK-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1ccc2oc(NCc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000737380264 598937321 /nfs/dbraw/zinc/93/73/21/598937321.db2.gz NICRRTOBKOXMPK-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM COCc1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737022164 598937581 /nfs/dbraw/zinc/93/75/81/598937581.db2.gz MQADCAXOFRZWTL-UHFFFAOYSA-N -1 3 316.752 2.805 20 0 DFADHM COCc1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737022164 598937582 /nfs/dbraw/zinc/93/75/82/598937582.db2.gz MQADCAXOFRZWTL-UHFFFAOYSA-N -1 3 316.752 2.805 20 0 DFADHM Cc1ccc2c(c1)N(c1ncc(-c3nnn[n-]3)cc1Cl)CC2 ZINC000737374940 598940476 /nfs/dbraw/zinc/94/04/76/598940476.db2.gz ASQDZWGQPSEDIX-UHFFFAOYSA-N -1 3 312.764 2.918 20 0 DFADHM Cc1ccc2c(c1)N(c1ncc(-c3nn[n-]n3)cc1Cl)CC2 ZINC000737374940 598940477 /nfs/dbraw/zinc/94/04/77/598940477.db2.gz ASQDZWGQPSEDIX-UHFFFAOYSA-N -1 3 312.764 2.918 20 0 DFADHM Cc1cccc2c1CCN2c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737409726 598940571 /nfs/dbraw/zinc/94/05/71/598940571.db2.gz QYQZXHXAQYIZHO-UHFFFAOYSA-N -1 3 312.764 2.918 20 0 DFADHM Cc1cccc2c1CCN2c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737409726 598940572 /nfs/dbraw/zinc/94/05/72/598940572.db2.gz QYQZXHXAQYIZHO-UHFFFAOYSA-N -1 3 312.764 2.918 20 0 DFADHM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735986304 599379869 /nfs/dbraw/zinc/37/98/69/599379869.db2.gz QYPDDNYRUUXBTF-NSHDSACASA-N -1 3 301.394 2.811 20 0 DFADHM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735986304 599379872 /nfs/dbraw/zinc/37/98/72/599379872.db2.gz QYPDDNYRUUXBTF-NSHDSACASA-N -1 3 301.394 2.811 20 0 DFADHM CC(C)OCCCN(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735896673 598971797 /nfs/dbraw/zinc/97/17/97/598971797.db2.gz UQRRVRKIZWUGAB-UHFFFAOYSA-N -1 3 309.801 2.771 20 0 DFADHM CC(C)OCCCN(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735896673 598971799 /nfs/dbraw/zinc/97/17/99/598971799.db2.gz UQRRVRKIZWUGAB-UHFFFAOYSA-N -1 3 309.801 2.771 20 0 DFADHM FC(F)(F)CCSCCOc1ccccc1-c1nnn[n-]1 ZINC000737626242 599010516 /nfs/dbraw/zinc/01/05/16/599010516.db2.gz HNBYZUKWSXTLNA-UHFFFAOYSA-N -1 3 318.324 2.931 20 0 DFADHM FC(F)(F)CCSCCOc1ccccc1-c1nn[n-]n1 ZINC000737626242 599010518 /nfs/dbraw/zinc/01/05/18/599010518.db2.gz HNBYZUKWSXTLNA-UHFFFAOYSA-N -1 3 318.324 2.931 20 0 DFADHM O=C(O[C@@H]1CCc2ccccc21)c1sccc1-c1nnn[n-]1 ZINC000738220661 599027253 /nfs/dbraw/zinc/02/72/53/599027253.db2.gz SHTISRPXPRQOSB-GFCCVEGCSA-N -1 3 312.354 2.773 20 0 DFADHM Cc1ccc(F)c(OCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737345645 599033587 /nfs/dbraw/zinc/03/35/87/599033587.db2.gz UIVQRXAYYHARPO-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM C[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736278701 599036601 /nfs/dbraw/zinc/03/66/01/599036601.db2.gz UPIXCCJDDMJNDM-QMMMGPOBSA-N -1 3 312.299 2.517 20 0 DFADHM C[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736278701 599036604 /nfs/dbraw/zinc/03/66/04/599036604.db2.gz UPIXCCJDDMJNDM-QMMMGPOBSA-N -1 3 312.299 2.517 20 0 DFADHM O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738146214 599038567 /nfs/dbraw/zinc/03/85/67/599038567.db2.gz VDYHBVMSNPVDJS-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738146214 599038571 /nfs/dbraw/zinc/03/85/71/599038571.db2.gz VDYHBVMSNPVDJS-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM C[C@@H]1CCCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736263996 599038390 /nfs/dbraw/zinc/03/83/90/599038390.db2.gz ASJSFWYLRHTPKZ-MRVPVSSYSA-N -1 3 312.299 2.659 20 0 DFADHM C[C@@H]1CCCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736263996 599038393 /nfs/dbraw/zinc/03/83/93/599038393.db2.gz ASJSFWYLRHTPKZ-MRVPVSSYSA-N -1 3 312.299 2.659 20 0 DFADHM Cc1nc(C)c(CNc2ncc(-c3nnn[n-]3)cc2Cl)s1 ZINC000822431800 599044870 /nfs/dbraw/zinc/04/48/70/599044870.db2.gz KHPNMSSUTUDUCG-UHFFFAOYSA-N -1 3 321.797 2.601 20 0 DFADHM Cc1nc(C)c(CNc2ncc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822431800 599044873 /nfs/dbraw/zinc/04/48/73/599044873.db2.gz KHPNMSSUTUDUCG-UHFFFAOYSA-N -1 3 321.797 2.601 20 0 DFADHM CCC(CC)c1cc(CNc2ncccc2-c2nnn[n-]2)on1 ZINC000820897962 599045477 /nfs/dbraw/zinc/04/54/77/599045477.db2.gz QXZWVIKTYCSKLN-UHFFFAOYSA-N -1 3 313.365 2.765 20 0 DFADHM CCC(CC)c1cc(CNc2ncccc2-c2nn[n-]n2)on1 ZINC000820897962 599045480 /nfs/dbraw/zinc/04/54/80/599045480.db2.gz QXZWVIKTYCSKLN-UHFFFAOYSA-N -1 3 313.365 2.765 20 0 DFADHM CC1(C)[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]2CCO[C@H]21 ZINC000736205577 599045789 /nfs/dbraw/zinc/04/57/89/599045789.db2.gz KCNOTWDSXKKNNC-CYZMBNFOSA-N -1 3 319.796 2.746 20 0 DFADHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]2CCO[C@H]21 ZINC000736205577 599045792 /nfs/dbraw/zinc/04/57/92/599045792.db2.gz KCNOTWDSXKKNNC-CYZMBNFOSA-N -1 3 319.796 2.746 20 0 DFADHM Cc1ccc([C@H](O)CNc2cc(Cl)ccc2-c2nnn[n-]2)o1 ZINC000737320352 599046378 /nfs/dbraw/zinc/04/63/78/599046378.db2.gz OXQPFDBLPTZNHS-GFCCVEGCSA-N -1 3 319.752 2.567 20 0 DFADHM Cc1ccc([C@H](O)CNc2cc(Cl)ccc2-c2nn[n-]n2)o1 ZINC000737320352 599046380 /nfs/dbraw/zinc/04/63/80/599046380.db2.gz OXQPFDBLPTZNHS-GFCCVEGCSA-N -1 3 319.752 2.567 20 0 DFADHM Clc1ccc([C@H]2CCN2c2ncccc2-c2nnn[n-]2)cc1 ZINC000822574146 599063602 /nfs/dbraw/zinc/06/36/02/599063602.db2.gz PFQPKDYKWFIFKC-CYBMUJFWSA-N -1 3 312.764 2.867 20 0 DFADHM Clc1ccc([C@H]2CCN2c2ncccc2-c2nn[n-]n2)cc1 ZINC000822574146 599063605 /nfs/dbraw/zinc/06/36/05/599063605.db2.gz PFQPKDYKWFIFKC-CYBMUJFWSA-N -1 3 312.764 2.867 20 0 DFADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1F ZINC000820275376 599066881 /nfs/dbraw/zinc/06/68/81/599066881.db2.gz PIYPNFGDZAJIIH-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM c1cc2c(s1)CCO[C@@H]2CNc1ccc(-c2nn[n-]n2)cc1 ZINC000823766876 599076995 /nfs/dbraw/zinc/07/69/95/599076995.db2.gz KWTWLNSMZLGXNT-CYBMUJFWSA-N -1 3 313.386 2.654 20 0 DFADHM CCc1cnc(CNc2ncc(-c3nnn[n-]3)cc2Cl)s1 ZINC000821499682 599083670 /nfs/dbraw/zinc/08/36/70/599083670.db2.gz OSAITDILVUVGAC-UHFFFAOYSA-N -1 3 321.797 2.546 20 0 DFADHM CCc1cnc(CNc2ncc(-c3nn[n-]n3)cc2Cl)s1 ZINC000821499682 599083672 /nfs/dbraw/zinc/08/36/72/599083672.db2.gz OSAITDILVUVGAC-UHFFFAOYSA-N -1 3 321.797 2.546 20 0 DFADHM CCC(CC)(CC)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736335392 599088925 /nfs/dbraw/zinc/08/89/25/599088925.db2.gz QWCCOBZSECBPQK-UHFFFAOYSA-N -1 3 315.421 2.884 20 0 DFADHM CCC(CC)(CC)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736335392 599088928 /nfs/dbraw/zinc/08/89/28/599088928.db2.gz QWCCOBZSECBPQK-UHFFFAOYSA-N -1 3 315.421 2.884 20 0 DFADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738021204 599096312 /nfs/dbraw/zinc/09/63/12/599096312.db2.gz PIWZYFMGASKKRG-LSDHHAIUSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738021204 599096315 /nfs/dbraw/zinc/09/63/15/599096315.db2.gz PIWZYFMGASKKRG-LSDHHAIUSA-N -1 3 311.389 2.565 20 0 DFADHM COC(=O)c1occc1CSc1ccccc1-c1nnn[n-]1 ZINC000736958161 599110026 /nfs/dbraw/zinc/11/00/26/599110026.db2.gz ZVJTXBPOPDCCJY-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM COC(=O)c1occc1CSc1ccccc1-c1nn[n-]n1 ZINC000736958161 599110027 /nfs/dbraw/zinc/11/00/27/599110027.db2.gz ZVJTXBPOPDCCJY-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(C)CC1 ZINC000737409474 599121877 /nfs/dbraw/zinc/12/18/77/599121877.db2.gz ONXUENHERMKANT-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(C)CC1 ZINC000737409474 599121879 /nfs/dbraw/zinc/12/18/79/599121879.db2.gz ONXUENHERMKANT-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM C/C(=C/C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000819764828 599139342 /nfs/dbraw/zinc/13/93/42/599139342.db2.gz LIXLUDYLPYVSIT-XFXZXTDPSA-N -1 3 313.405 2.818 20 0 DFADHM C/C(=C/C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819764828 599139343 /nfs/dbraw/zinc/13/93/43/599139343.db2.gz LIXLUDYLPYVSIT-XFXZXTDPSA-N -1 3 313.405 2.818 20 0 DFADHM CCn1ccnc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736721609 599166706 /nfs/dbraw/zinc/16/67/06/599166706.db2.gz HWHQDOAHDJLGIH-UHFFFAOYSA-N -1 3 304.354 2.515 20 0 DFADHM CCn1ccnc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736721609 599166709 /nfs/dbraw/zinc/16/67/09/599166709.db2.gz HWHQDOAHDJLGIH-UHFFFAOYSA-N -1 3 304.354 2.515 20 0 DFADHM CCCC[C@@H](CC)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821040429 599168192 /nfs/dbraw/zinc/16/81/92/599168192.db2.gz LSUWGNQLKZWHQZ-LLVKDONJSA-N -1 3 319.384 2.838 20 0 DFADHM CCCC[C@@H](CC)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821040429 599168194 /nfs/dbraw/zinc/16/81/94/599168194.db2.gz LSUWGNQLKZWHQZ-LLVKDONJSA-N -1 3 319.384 2.838 20 0 DFADHM CC(C)C[C@H](C)CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820054814 599177840 /nfs/dbraw/zinc/17/78/40/599177840.db2.gz CJIGIXOICZCZES-NSHDSACASA-N -1 3 319.384 2.694 20 0 DFADHM CC(C)C[C@H](C)CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820054814 599177842 /nfs/dbraw/zinc/17/78/42/599177842.db2.gz CJIGIXOICZCZES-NSHDSACASA-N -1 3 319.384 2.694 20 0 DFADHM CCCC(C)(C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736415615 599187655 /nfs/dbraw/zinc/18/76/55/599187655.db2.gz HJQFEWYJHNPJBD-UHFFFAOYSA-N -1 3 306.345 2.706 20 0 DFADHM CCCC(C)(C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736415615 599187658 /nfs/dbraw/zinc/18/76/58/599187658.db2.gz HJQFEWYJHNPJBD-UHFFFAOYSA-N -1 3 306.345 2.706 20 0 DFADHM CC(C)n1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000735966142 599192667 /nfs/dbraw/zinc/19/26/67/599192667.db2.gz NWWQLPIHTIVQLM-UHFFFAOYSA-N -1 3 318.768 2.877 20 0 DFADHM CC(C)n1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000735966142 599192670 /nfs/dbraw/zinc/19/26/70/599192670.db2.gz NWWQLPIHTIVQLM-UHFFFAOYSA-N -1 3 318.768 2.877 20 0 DFADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000821034014 599195258 /nfs/dbraw/zinc/19/52/58/599195258.db2.gz HOADDVUSUFGUNG-PWSUYJOCSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000821034014 599195260 /nfs/dbraw/zinc/19/52/60/599195260.db2.gz HOADDVUSUFGUNG-PWSUYJOCSA-N -1 3 319.434 2.969 20 0 DFADHM CCC/C=C/C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736440012 599220715 /nfs/dbraw/zinc/22/07/15/599220715.db2.gz WXXMANDIKYMNME-LHXVZLOVSA-N -1 3 316.361 2.534 20 0 DFADHM CCC/C=C/C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736440012 599220716 /nfs/dbraw/zinc/22/07/16/599220716.db2.gz WXXMANDIKYMNME-LHXVZLOVSA-N -1 3 316.361 2.534 20 0 DFADHM CC(C)(C)C[C@@H](O)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735604358 599230698 /nfs/dbraw/zinc/23/06/98/599230698.db2.gz VNVVYLCMGYMAEL-SNVBAGLBSA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)(C)C[C@@H](O)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735604358 599230699 /nfs/dbraw/zinc/23/06/99/599230699.db2.gz VNVVYLCMGYMAEL-SNVBAGLBSA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)(CNc1ncccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000735671171 599230818 /nfs/dbraw/zinc/23/08/18/599230818.db2.gz QJYBACWRPXUKJK-UHFFFAOYSA-N -1 3 308.389 2.943 20 0 DFADHM CC(C)(CNc1ncccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000735671171 599230819 /nfs/dbraw/zinc/23/08/19/599230819.db2.gz QJYBACWRPXUKJK-UHFFFAOYSA-N -1 3 308.389 2.943 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738027326 599227662 /nfs/dbraw/zinc/22/76/62/599227662.db2.gz ZWLQCRNLLYVCAQ-TUKIKUTGSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738027326 599227663 /nfs/dbraw/zinc/22/76/63/599227663.db2.gz 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ZINC000820950273 599240026 /nfs/dbraw/zinc/24/00/26/599240026.db2.gz LIGHWQOEELTUDQ-INIZCTEOSA-N -1 3 314.393 2.911 20 0 DFADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000820919266 599240636 /nfs/dbraw/zinc/24/06/36/599240636.db2.gz AONSWBODOHZWFN-AWEZNQCLSA-N -1 3 323.360 2.535 20 0 DFADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000820919266 599240638 /nfs/dbraw/zinc/24/06/38/599240638.db2.gz AONSWBODOHZWFN-AWEZNQCLSA-N -1 3 323.360 2.535 20 0 DFADHM CCc1ccccc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821491933 607273524 /nfs/dbraw/zinc/27/35/24/607273524.db2.gz DBHUIQBUPPMKSE-UHFFFAOYSA-N -1 3 321.384 2.701 20 0 DFADHM CCc1ccccc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821491933 607273525 /nfs/dbraw/zinc/27/35/25/607273525.db2.gz DBHUIQBUPPMKSE-UHFFFAOYSA-N -1 3 321.384 2.701 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820978864 607280344 /nfs/dbraw/zinc/28/03/44/607280344.db2.gz DPKYUKUAIFKOLQ-BXUZGUMPSA-N -1 3 314.393 2.875 20 0 DFADHM 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/nfs/dbraw/zinc/31/06/17/607310617.db2.gz GOSTVKKKCPZBAI-UHFFFAOYSA-N -1 3 300.391 2.606 20 0 DFADHM CN(C)c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821589276 607310618 /nfs/dbraw/zinc/31/06/18/607310618.db2.gz GOSTVKKKCPZBAI-UHFFFAOYSA-N -1 3 300.391 2.606 20 0 DFADHM c1nnc(-c2cccc(NCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000823751578 607311747 /nfs/dbraw/zinc/31/17/47/607311747.db2.gz MKJSEUWXRPWXEQ-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM c1nnc(-c2cccc(NCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000823751578 607311748 /nfs/dbraw/zinc/31/17/48/607311748.db2.gz MKJSEUWXRPWXEQ-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM COc1c(F)cc(F)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821698467 607315799 /nfs/dbraw/zinc/31/57/99/607315799.db2.gz LPAIHCRDUUUURH-UHFFFAOYSA-N -1 3 323.328 2.827 20 0 DFADHM CCc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)o1 ZINC000736686083 599265977 /nfs/dbraw/zinc/26/59/77/599265977.db2.gz NVCRSAZURAJXRK-ZDUSSCGKSA-N -1 3 310.361 2.759 20 0 DFADHM CCc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)o1 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CC(C)(C)CCCCNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735601939 598233717 /nfs/dbraw/zinc/23/37/17/598233717.db2.gz GZYKGCXNXSTYBW-UHFFFAOYSA-N -1 3 301.394 2.813 20 0 DFADHM CC(C)(C)CCCCNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735601939 598233719 /nfs/dbraw/zinc/23/37/19/598233719.db2.gz GZYKGCXNXSTYBW-UHFFFAOYSA-N -1 3 301.394 2.813 20 0 DFADHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737091635 598234812 /nfs/dbraw/zinc/23/48/12/598234812.db2.gz WZKRNWAQHQKEOE-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CC1(Cl)Cl ZINC000737641763 598236344 /nfs/dbraw/zinc/23/63/44/598236344.db2.gz YAEYKRWMOQVWOO-ZETCQYMHSA-N -1 3 302.140 2.612 20 0 DFADHM C[C@H]1Cc2ccccc2N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736298515 598239403 /nfs/dbraw/zinc/23/94/03/598239403.db2.gz QSABOFFZLANVRG-LBPRGKRZSA-N -1 3 319.368 2.706 20 0 DFADHM C[C@H]1Cc2ccccc2N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736298515 598239405 /nfs/dbraw/zinc/23/94/05/598239405.db2.gz QSABOFFZLANVRG-LBPRGKRZSA-N -1 3 319.368 2.706 20 0 DFADHM COc1cccc(CCNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737130540 598239528 /nfs/dbraw/zinc/23/95/28/598239528.db2.gz FVKBCNOXAUTTDO-UHFFFAOYSA-N -1 3 313.336 2.669 20 0 DFADHM CC(C)(C)c1csc(CNc2ncccc2-c2nnn[n-]2)n1 ZINC000735656050 598244718 /nfs/dbraw/zinc/24/47/18/598244718.db2.gz HAMDUYRBNHWXHE-UHFFFAOYSA-N -1 3 315.406 2.628 20 0 DFADHM CC(C)(C)c1csc(CNc2ncccc2-c2nn[n-]n2)n1 ZINC000735656050 598244720 /nfs/dbraw/zinc/24/47/20/598244720.db2.gz HAMDUYRBNHWXHE-UHFFFAOYSA-N -1 3 315.406 2.628 20 0 DFADHM Cc1ccccc1C(C)(C)CNc1ncccc1-c1nnn[n-]1 ZINC000737415343 598246819 /nfs/dbraw/zinc/24/68/19/598246819.db2.gz NRWXNNMWWIOARE-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1ccccc1C(C)(C)CNc1ncccc1-c1nn[n-]n1 ZINC000737415343 598246820 /nfs/dbraw/zinc/24/68/20/598246820.db2.gz NRWXNNMWWIOARE-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Fc1ccc(CNc2ncccc2-c2nnn[n-]2)cc1Cl ZINC000737651603 598248612 /nfs/dbraw/zinc/24/86/12/598248612.db2.gz YDXREYTUOCIMLJ-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(CNc2ncccc2-c2nn[n-]n2)cc1Cl ZINC000737651603 598248613 /nfs/dbraw/zinc/24/86/13/598248613.db2.gz YDXREYTUOCIMLJ-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Cc1ccc(N(C)CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737346550 598258729 /nfs/dbraw/zinc/25/87/29/598258729.db2.gz HNDHAOZWVKEOAN-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM CCN(Cc1ccoc1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736555749 598328296 /nfs/dbraw/zinc/32/82/96/598328296.db2.gz LLHYZCNQBDUQIY-FPLPWBNLSA-N -1 3 323.356 2.522 20 0 DFADHM CCN(Cc1ccoc1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736555749 598328298 /nfs/dbraw/zinc/32/82/98/598328298.db2.gz LLHYZCNQBDUQIY-FPLPWBNLSA-N -1 3 323.356 2.522 20 0 DFADHM C[C@H]1OCC[C@H]1SCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825021700 607845472 /nfs/dbraw/zinc/84/54/72/607845472.db2.gz TVGLUZRZHYVXCM-BXUZGUMPSA-N -1 3 320.418 2.546 20 0 DFADHM CCc1nc(CCNc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736698437 598352933 /nfs/dbraw/zinc/35/29/33/598352933.db2.gz FHRVHDFZPNJRQU-UHFFFAOYSA-N -1 3 300.391 2.540 20 0 DFADHM CC1(c2ccccc2)CC(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000736223593 598364713 /nfs/dbraw/zinc/36/47/13/598364713.db2.gz OLXWSEMFAKPYDS-UHFFFAOYSA-N -1 3 306.373 2.794 20 0 DFADHM CC1(c2ccccc2)CC(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000736223593 598364715 /nfs/dbraw/zinc/36/47/15/598364715.db2.gz OLXWSEMFAKPYDS-UHFFFAOYSA-N -1 3 306.373 2.794 20 0 DFADHM Cc1ccccc1C1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737421384 598380976 /nfs/dbraw/zinc/38/09/76/598380976.db2.gz MPUZPCKVINKYEM-UHFFFAOYSA-N -1 3 320.352 2.812 20 0 DFADHM Cc1ccccc1C1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737421384 598380978 /nfs/dbraw/zinc/38/09/78/598380978.db2.gz MPUZPCKVINKYEM-UHFFFAOYSA-N -1 3 320.352 2.812 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCCc3ccccc3C2)n1 ZINC000737246305 598389545 /nfs/dbraw/zinc/38/95/45/598389545.db2.gz SACIFGASIGZYIY-UHFFFAOYSA-N -1 3 320.400 2.831 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCCc3ccccc3C2)n1 ZINC000737246305 598389546 /nfs/dbraw/zinc/38/95/46/598389546.db2.gz SACIFGASIGZYIY-UHFFFAOYSA-N -1 3 320.400 2.831 20 0 DFADHM Cc1nc(Cl)cc(Sc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737481122 598391371 /nfs/dbraw/zinc/39/13/71/598391371.db2.gz WTIGDLWVJXBNOR-UHFFFAOYSA-N -1 3 304.766 2.770 20 0 DFADHM Cc1nc(Cl)cc(Sc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737481122 598391374 /nfs/dbraw/zinc/39/13/74/598391374.db2.gz WTIGDLWVJXBNOR-UHFFFAOYSA-N -1 3 304.766 2.770 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)CC(C)(C)C ZINC000737292101 598413300 /nfs/dbraw/zinc/41/33/00/598413300.db2.gz RUJAQPBPCNNGAV-UHFFFAOYSA-N -1 3 302.382 2.685 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)CC(C)(C)C ZINC000737292101 598413301 /nfs/dbraw/zinc/41/33/01/598413301.db2.gz RUJAQPBPCNNGAV-UHFFFAOYSA-N -1 3 302.382 2.685 20 0 DFADHM Cc1cc(C)cc([C@H](C)NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737253083 598423000 /nfs/dbraw/zinc/42/30/00/598423000.db2.gz PURHSHIDMQSDGY-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cc(C)cc([C@H](C)NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737253083 598423001 /nfs/dbraw/zinc/42/30/01/598423001.db2.gz PURHSHIDMQSDGY-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM CC(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735929371 598434974 /nfs/dbraw/zinc/43/49/74/598434974.db2.gz XOLXPYGOEJSXAH-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735929371 598434976 /nfs/dbraw/zinc/43/49/76/598434976.db2.gz XOLXPYGOEJSXAH-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)(C)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735652624 598435473 /nfs/dbraw/zinc/43/54/73/598435473.db2.gz OJAQFKHLFUFBEF-UHFFFAOYSA-N -1 3 322.372 2.812 20 0 DFADHM CC(C)(C)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735652624 598435474 /nfs/dbraw/zinc/43/54/74/598435474.db2.gz OJAQFKHLFUFBEF-UHFFFAOYSA-N -1 3 322.372 2.812 20 0 DFADHM Cc1ccc(N(C(=O)c2ccc(-c3nnn[n-]3)cn2)C(C)C)cc1 ZINC000737348407 598451413 /nfs/dbraw/zinc/45/14/13/598451413.db2.gz XUJRDBPSQSQAAF-UHFFFAOYSA-N -1 3 322.372 2.625 20 0 DFADHM Cc1ccc(N(C(=O)c2ccc(-c3nn[n-]n3)cn2)C(C)C)cc1 ZINC000737348407 598451414 /nfs/dbraw/zinc/45/14/14/598451414.db2.gz XUJRDBPSQSQAAF-UHFFFAOYSA-N -1 3 322.372 2.625 20 0 DFADHM Cc1nc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000737472316 598469229 /nfs/dbraw/zinc/46/92/29/598469229.db2.gz ZDVOHQLDUTVYQI-ZETCQYMHSA-N -1 3 304.354 2.944 20 0 DFADHM C[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736153332 598481373 /nfs/dbraw/zinc/48/13/73/598481373.db2.gz YCOAMOFRXNTZBW-MNOVXSKESA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736153332 598481375 /nfs/dbraw/zinc/48/13/75/598481375.db2.gz YCOAMOFRXNTZBW-MNOVXSKESA-N -1 3 300.362 2.907 20 0 DFADHM CC(C)COCCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000735837097 598483516 /nfs/dbraw/zinc/48/35/16/598483516.db2.gz FXZAGXMOBFZBFN-GFCCVEGCSA-N -1 3 318.377 2.534 20 0 DFADHM CC(C)COCCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000735837097 598483518 /nfs/dbraw/zinc/48/35/18/598483518.db2.gz FXZAGXMOBFZBFN-GFCCVEGCSA-N -1 3 318.377 2.534 20 0 DFADHM CCS[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736667584 598484713 /nfs/dbraw/zinc/48/47/13/598484713.db2.gz VSWIRZUZIAWOPB-ZDUSSCGKSA-N -1 3 320.418 2.688 20 0 DFADHM CCS[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736667584 598484715 /nfs/dbraw/zinc/48/47/15/598484715.db2.gz VSWIRZUZIAWOPB-ZDUSSCGKSA-N -1 3 320.418 2.688 20 0 DFADHM CC(C)SCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000735920927 598485113 /nfs/dbraw/zinc/48/51/13/598485113.db2.gz AWBGIVAYGBWNBF-JTQLQIEISA-N -1 3 306.391 2.613 20 0 DFADHM CC(C)SCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000735920927 598485114 /nfs/dbraw/zinc/48/51/14/598485114.db2.gz AWBGIVAYGBWNBF-JTQLQIEISA-N -1 3 306.391 2.613 20 0 DFADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1C=CCC1 ZINC000735660184 598485807 /nfs/dbraw/zinc/48/58/07/598485807.db2.gz JHLQGXLJENIHHL-LLVKDONJSA-N -1 3 314.393 2.718 20 0 DFADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1C=CCC1 ZINC000735660184 598485808 /nfs/dbraw/zinc/48/58/08/598485808.db2.gz JHLQGXLJENIHHL-LLVKDONJSA-N -1 3 314.393 2.718 20 0 DFADHM CCCSCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736498062 598492597 /nfs/dbraw/zinc/49/25/97/598492597.db2.gz OLRFFPSACMQWIG-JTQLQIEISA-N -1 3 306.391 2.614 20 0 DFADHM CCCSCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736498062 598492599 /nfs/dbraw/zinc/49/25/99/598492599.db2.gz OLRFFPSACMQWIG-JTQLQIEISA-N -1 3 306.391 2.614 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735761696 598494163 /nfs/dbraw/zinc/49/41/63/598494163.db2.gz PXWAPKDULWNHIT-CYBMUJFWSA-N -1 3 315.421 2.897 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735761696 598494164 /nfs/dbraw/zinc/49/41/64/598494164.db2.gz PXWAPKDULWNHIT-CYBMUJFWSA-N -1 3 315.421 2.897 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H](C)CC(C)C ZINC000737025243 598494661 /nfs/dbraw/zinc/49/46/61/598494661.db2.gz OWYCOYSORFVCOW-LLVKDONJSA-N -1 3 318.377 2.853 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H](C)CC(C)C ZINC000737025243 598494662 /nfs/dbraw/zinc/49/46/62/598494662.db2.gz OWYCOYSORFVCOW-LLVKDONJSA-N -1 3 318.377 2.853 20 0 DFADHM COc1ncccc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737163879 598507494 /nfs/dbraw/zinc/50/74/94/598507494.db2.gz RYHJVGWTYJCXPR-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ncccc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737163879 598507495 /nfs/dbraw/zinc/50/74/95/598507495.db2.gz RYHJVGWTYJCXPR-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM CC[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736400933 598534267 /nfs/dbraw/zinc/53/42/67/598534267.db2.gz FCULQTREQDYFFP-RISCZKNCSA-N -1 3 314.393 2.512 20 0 DFADHM CC[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736400933 598534269 /nfs/dbraw/zinc/53/42/69/598534269.db2.gz FCULQTREQDYFFP-RISCZKNCSA-N -1 3 314.393 2.512 20 0 DFADHM O=C(Nc1cc(F)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000738143386 598543862 /nfs/dbraw/zinc/54/38/62/598543862.db2.gz AITWLHDVYJZMRE-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1cc(F)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000738143386 598543864 /nfs/dbraw/zinc/54/38/64/598543864.db2.gz AITWLHDVYJZMRE-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM Cc1cc(-c2nn[nH]n2)ccc1Oc1nc2ccccc2c(=O)[n-]1 ZINC000737220127 598551050 /nfs/dbraw/zinc/55/10/50/598551050.db2.gz CDXPFKQHLZIJKD-UHFFFAOYSA-N -1 3 320.312 2.616 20 0 DFADHM O=C(Cc1cccc(Cl)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000737968069 598572553 /nfs/dbraw/zinc/57/25/53/598572553.db2.gz DTBXXPBILZLGMF-UHFFFAOYSA-N -1 3 313.748 2.701 20 0 DFADHM O=C(Cc1cccc(Cl)c1)Nc1ccccc1-c1nn[n-]n1 ZINC000737968069 598572554 /nfs/dbraw/zinc/57/25/54/598572554.db2.gz DTBXXPBILZLGMF-UHFFFAOYSA-N -1 3 313.748 2.701 20 0 DFADHM CCc1ccsc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736701342 598584704 /nfs/dbraw/zinc/58/47/04/598584704.db2.gz AABUCHOKMSJPSY-UHFFFAOYSA-N -1 3 317.349 2.882 20 0 DFADHM CCc1ccsc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736701342 598584706 /nfs/dbraw/zinc/58/47/06/598584706.db2.gz AABUCHOKMSJPSY-UHFFFAOYSA-N -1 3 317.349 2.882 20 0 DFADHM COc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737063636 598609656 /nfs/dbraw/zinc/60/96/56/598609656.db2.gz ZUUQZCYQEOTDAD-UHFFFAOYSA-N -1 3 320.312 2.592 20 0 DFADHM COc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737063636 598609658 /nfs/dbraw/zinc/60/96/58/598609658.db2.gz ZUUQZCYQEOTDAD-UHFFFAOYSA-N -1 3 320.312 2.592 20 0 DFADHM CC(C)CCCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735797409 598623950 /nfs/dbraw/zinc/62/39/50/598623950.db2.gz OXPKHNIXWJFUNO-UHFFFAOYSA-N -1 3 306.345 2.564 20 0 DFADHM CC(C)CCCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735797409 598623951 /nfs/dbraw/zinc/62/39/51/598623951.db2.gz OXPKHNIXWJFUNO-UHFFFAOYSA-N -1 3 306.345 2.564 20 0 DFADHM C[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736265672 598627388 /nfs/dbraw/zinc/62/73/88/598627388.db2.gz LBDPOSVRMKTXQG-JTQLQIEISA-N -1 3 318.356 2.660 20 0 DFADHM C[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736265672 598627389 /nfs/dbraw/zinc/62/73/89/598627389.db2.gz LBDPOSVRMKTXQG-JTQLQIEISA-N -1 3 318.356 2.660 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(NCCc2ccccn2)c1 ZINC000737570657 598629497 /nfs/dbraw/zinc/62/94/97/598629497.db2.gz JVZSCPIDAIAVTO-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(NCCc2ccccn2)c1 ZINC000737570657 598629500 /nfs/dbraw/zinc/62/95/00/598629500.db2.gz JVZSCPIDAIAVTO-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM CCC[C@H](C)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736424275 598653281 /nfs/dbraw/zinc/65/32/81/598653281.db2.gz PTOVWRAHVZFSCX-NSHDSACASA-N -1 3 319.434 2.606 20 0 DFADHM CCC[C@H](C)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736424275 598653282 /nfs/dbraw/zinc/65/32/82/598653282.db2.gz PTOVWRAHVZFSCX-NSHDSACASA-N -1 3 319.434 2.606 20 0 DFADHM CC(C)c1ccsc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735933082 598658470 /nfs/dbraw/zinc/65/84/70/598658470.db2.gz SZTNNCZVDAPYDV-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM CC(C)c1ccsc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735933082 598658472 /nfs/dbraw/zinc/65/84/72/598658472.db2.gz SZTNNCZVDAPYDV-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737090572 598672893 /nfs/dbraw/zinc/67/28/93/598672893.db2.gz JIVNATXFABQIDV-UHFFFAOYSA-N -1 3 309.373 2.820 20 0 DFADHM Cc1cc(CSCc2ccc(F)cc2-c2nnn[n-]2)on1 ZINC000737264903 598694803 /nfs/dbraw/zinc/69/48/03/598694803.db2.gz QWIHWANDKOWYCL-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM Cc1cc(CSCc2ccc(F)cc2-c2nn[n-]n2)on1 ZINC000737264903 598694804 /nfs/dbraw/zinc/69/48/04/598694804.db2.gz QWIHWANDKOWYCL-UHFFFAOYSA-N -1 3 305.338 2.736 20 0 DFADHM CC(C)(O)COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735678924 598697364 /nfs/dbraw/zinc/69/73/64/598697364.db2.gz AABPSKXJBJZQKC-UHFFFAOYSA-N -1 3 310.357 2.683 20 0 DFADHM CC(C)(O)COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735678924 598697366 /nfs/dbraw/zinc/69/73/66/598697366.db2.gz AABPSKXJBJZQKC-UHFFFAOYSA-N -1 3 310.357 2.683 20 0 DFADHM CC1(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC000736222444 598724347 /nfs/dbraw/zinc/72/43/47/598724347.db2.gz HEROWBVNVDKOOF-UHFFFAOYSA-N -1 3 320.784 2.974 20 0 DFADHM CC1(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC000736222444 598724348 /nfs/dbraw/zinc/72/43/48/598724348.db2.gz HEROWBVNVDKOOF-UHFFFAOYSA-N -1 3 320.784 2.974 20 0 DFADHM Cc1ccccc1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737426018 598734946 /nfs/dbraw/zinc/73/49/46/598734946.db2.gz HEVCCFJXTWNETO-UHFFFAOYSA-N -1 3 313.386 2.808 20 0 DFADHM Cc1ccccc1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737426018 598734947 /nfs/dbraw/zinc/73/49/47/598734947.db2.gz HEVCCFJXTWNETO-UHFFFAOYSA-N -1 3 313.386 2.808 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736059343 598741119 /nfs/dbraw/zinc/74/11/19/598741119.db2.gz RMBFYMQPDWIMJL-GFCCVEGCSA-N -1 3 308.341 2.651 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736059343 598741121 /nfs/dbraw/zinc/74/11/21/598741121.db2.gz RMBFYMQPDWIMJL-GFCCVEGCSA-N -1 3 308.341 2.651 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736058748 598741256 /nfs/dbraw/zinc/74/12/56/598741256.db2.gz OUAUPFKBUYXPCJ-SNVBAGLBSA-N -1 3 313.386 2.746 20 0 DFADHM C[C@H](Cc1ccccc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736058748 598741257 /nfs/dbraw/zinc/74/12/57/598741257.db2.gz OUAUPFKBUYXPCJ-SNVBAGLBSA-N -1 3 313.386 2.746 20 0 DFADHM CCS[C@H]1CCCCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736665517 598749014 /nfs/dbraw/zinc/74/90/14/598749014.db2.gz OYHAWQZCXIKUPF-AWEZNQCLSA-N -1 3 303.435 2.979 20 0 DFADHM CC[C@H](C)[C@](C)(O)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736333875 598774742 /nfs/dbraw/zinc/77/47/42/598774742.db2.gz VRZGDICDXCJVKP-LKFCYVNXSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@H](C)[C@](C)(O)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736333875 598774744 /nfs/dbraw/zinc/77/47/44/598774744.db2.gz VRZGDICDXCJVKP-LKFCYVNXSA-N -1 3 309.801 2.729 20 0 DFADHM CCn1c(C)cc2c1CCC[C@H]2Nc1ncccc1-c1nnn[n-]1 ZINC000736720138 598787517 /nfs/dbraw/zinc/78/75/17/598787517.db2.gz JDEWOIUNTXBBMM-CQSZACIVSA-N -1 3 323.404 2.881 20 0 DFADHM CCn1c(C)cc2c1CCC[C@H]2Nc1ncccc1-c1nn[n-]n1 ZINC000736720138 598787518 /nfs/dbraw/zinc/78/75/18/598787518.db2.gz JDEWOIUNTXBBMM-CQSZACIVSA-N -1 3 323.404 2.881 20 0 DFADHM CCn1c(C)cc2c1CCC[C@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736720836 598788037 /nfs/dbraw/zinc/78/80/37/598788037.db2.gz XSCFBLBTSWUWDZ-CQSZACIVSA-N -1 3 323.404 2.881 20 0 DFADHM CCn1c(C)cc2c1CCC[C@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736720836 598788039 /nfs/dbraw/zinc/78/80/39/598788039.db2.gz XSCFBLBTSWUWDZ-CQSZACIVSA-N -1 3 323.404 2.881 20 0 DFADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2ccccc21 ZINC000738235982 598788351 /nfs/dbraw/zinc/78/83/51/598788351.db2.gz CZMZHCKRSZZYNX-MRXNPFEDSA-N -1 3 320.352 2.640 20 0 DFADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000738235982 598788352 /nfs/dbraw/zinc/78/83/52/598788352.db2.gz CZMZHCKRSZZYNX-MRXNPFEDSA-N -1 3 320.352 2.640 20 0 DFADHM COCc1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737022125 598795819 /nfs/dbraw/zinc/79/58/19/598795819.db2.gz LKGHXCQACYVJGA-UHFFFAOYSA-N -1 3 314.320 2.731 20 0 DFADHM COCc1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737022125 598795820 /nfs/dbraw/zinc/79/58/20/598795820.db2.gz LKGHXCQACYVJGA-UHFFFAOYSA-N -1 3 314.320 2.731 20 0 DFADHM O=C(O[C@@H]1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738221618 598799860 /nfs/dbraw/zinc/79/98/60/598799860.db2.gz YEFLQJBZDQMTPO-MRXNPFEDSA-N -1 3 320.352 2.581 20 0 DFADHM O=C(O[C@@H]1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738221618 598799861 /nfs/dbraw/zinc/79/98/61/598799861.db2.gz YEFLQJBZDQMTPO-MRXNPFEDSA-N -1 3 320.352 2.581 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)C(C)C ZINC000735902941 598803392 /nfs/dbraw/zinc/80/33/92/598803392.db2.gz BDLFLHMXTWQVFA-NSHDSACASA-N -1 3 317.393 2.885 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)C(C)C ZINC000735902941 598803394 /nfs/dbraw/zinc/80/33/94/598803394.db2.gz BDLFLHMXTWQVFA-NSHDSACASA-N -1 3 317.393 2.885 20 0 DFADHM O=C(CCC1CCCCC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737825228 598804982 /nfs/dbraw/zinc/80/49/82/598804982.db2.gz WQDHBHRECZUPNO-UHFFFAOYSA-N -1 3 300.366 2.561 20 0 DFADHM O=C(CCC1CCCCC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737825228 598804984 /nfs/dbraw/zinc/80/49/84/598804984.db2.gz WQDHBHRECZUPNO-UHFFFAOYSA-N -1 3 300.366 2.561 20 0 DFADHM CC[C@H](CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736335058 598817240 /nfs/dbraw/zinc/81/72/40/598817240.db2.gz XUTJZZHVFDLYRV-CQSZACIVSA-N -1 3 315.421 2.897 20 0 DFADHM CC[C@H](CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736335058 598817241 /nfs/dbraw/zinc/81/72/41/598817241.db2.gz XUTJZZHVFDLYRV-CQSZACIVSA-N -1 3 315.421 2.897 20 0 DFADHM Cc1ccc([C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)cn2)o1 ZINC000737328133 599296817 /nfs/dbraw/zinc/29/68/17/599296817.db2.gz CPCDJHHCTCHYKZ-ZDUSSCGKSA-N -1 3 310.361 2.895 20 0 DFADHM Cc1ccc([C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)cn2)o1 ZINC000737328133 599296819 /nfs/dbraw/zinc/29/68/19/599296819.db2.gz CPCDJHHCTCHYKZ-ZDUSSCGKSA-N -1 3 310.361 2.895 20 0 DFADHM CCOc1ccccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736654697 599304412 /nfs/dbraw/zinc/30/44/12/599304412.db2.gz MJDZLAJKRHBGRV-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CCOc1ccccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736654697 599304415 /nfs/dbraw/zinc/30/44/15/599304415.db2.gz MJDZLAJKRHBGRV-UHFFFAOYSA-N -1 3 323.356 2.542 20 0 DFADHM CC(C)(CNc1ncccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735671552 599305475 /nfs/dbraw/zinc/30/54/75/599305475.db2.gz ZFEPCVODIZCUQG-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CC(C)(CNc1ncccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735671552 599305478 /nfs/dbraw/zinc/30/54/78/599305478.db2.gz ZFEPCVODIZCUQG-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM Cc1cnc([C@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CC2)s1 ZINC000737445426 599321565 /nfs/dbraw/zinc/32/15/65/599321565.db2.gz HDTNRGOOTKWQBW-GFCCVEGCSA-N -1 3 313.390 2.590 20 0 DFADHM Cc1cnc([C@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)s1 ZINC000737445426 599321566 /nfs/dbraw/zinc/32/15/66/599321566.db2.gz HDTNRGOOTKWQBW-GFCCVEGCSA-N -1 3 313.390 2.590 20 0 DFADHM Fc1cc(OCc2cccc(Cl)n2)ccc1-c1nnn[n-]1 ZINC000822754423 599342922 /nfs/dbraw/zinc/34/29/22/599342922.db2.gz ZUIZYYNAIYZQSH-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1cc(OCc2cccc(Cl)n2)ccc1-c1nn[n-]n1 ZINC000822754423 599342924 /nfs/dbraw/zinc/34/29/24/599342924.db2.gz ZUIZYYNAIYZQSH-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM CCOC(=O)CCCCSc1ccccc1-c1nnn[n-]1 ZINC000821325642 599344510 /nfs/dbraw/zinc/34/45/10/599344510.db2.gz IMPPIOCZPCMCRQ-UHFFFAOYSA-N -1 3 306.391 2.692 20 0 DFADHM CCOC(=O)CCCCSc1ccccc1-c1nn[n-]n1 ZINC000821325642 599344512 /nfs/dbraw/zinc/34/45/12/599344512.db2.gz IMPPIOCZPCMCRQ-UHFFFAOYSA-N -1 3 306.391 2.692 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736241297 599383628 /nfs/dbraw/zinc/38/36/28/599383628.db2.gz WWESWDUVKPNLBK-FOGDFJRCSA-N -1 3 317.418 2.721 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736241297 599383631 /nfs/dbraw/zinc/38/36/31/599383631.db2.gz WWESWDUVKPNLBK-FOGDFJRCSA-N -1 3 317.418 2.721 20 0 DFADHM COc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000821845131 599386626 /nfs/dbraw/zinc/38/66/26/599386626.db2.gz BGSXETJHXCZZEG-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000821845131 599386629 /nfs/dbraw/zinc/38/66/29/599386629.db2.gz BGSXETJHXCZZEG-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cn1 ZINC000737343369 599413025 /nfs/dbraw/zinc/41/30/25/599413025.db2.gz WGHLJZHAOAFDJA-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC000737343369 599413026 /nfs/dbraw/zinc/41/30/26/599413026.db2.gz WGHLJZHAOAFDJA-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826145794 608417007 /nfs/dbraw/zinc/41/70/07/608417007.db2.gz MGSHMWCOVMNREQ-NOZJJQNGSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826145794 608417009 /nfs/dbraw/zinc/41/70/09/608417009.db2.gz MGSHMWCOVMNREQ-NOZJJQNGSA-N -1 3 307.785 2.747 20 0 DFADHM Clc1ccc2c(c1)CC[C@@H]2NCc1ccc(-c2nnn[n-]2)o1 ZINC000822581160 599419068 /nfs/dbraw/zinc/41/90/68/599419068.db2.gz CKZSMMKCMFQFDC-ZDUSSCGKSA-N -1 3 315.764 2.890 20 0 DFADHM Fc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1Cl ZINC000822771445 599423511 /nfs/dbraw/zinc/42/35/11/599423511.db2.gz HMRYJAWTENCBNY-UHFFFAOYSA-N -1 3 307.716 2.542 20 0 DFADHM Fc1ccc(CNCc2ccc(-c3nn[n-]n3)o2)cc1Cl ZINC000822771445 599423512 /nfs/dbraw/zinc/42/35/12/599423512.db2.gz HMRYJAWTENCBNY-UHFFFAOYSA-N -1 3 307.716 2.542 20 0 DFADHM Cc1cccnc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737434308 599429480 /nfs/dbraw/zinc/42/94/80/599429480.db2.gz HZDQASGJVQYPCZ-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cccnc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737434308 599429483 /nfs/dbraw/zinc/42/94/83/599429483.db2.gz HZDQASGJVQYPCZ-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM CC(C)(NCc1ccc(-c2nnn[n-]2)o1)c1cccc(F)c1 ZINC000819992504 599443235 /nfs/dbraw/zinc/44/32/35/599443235.db2.gz ZXVWPOYPLPEBQX-UHFFFAOYSA-N -1 3 301.325 2.624 20 0 DFADHM Fc1ccc(NCCOc2ccccc2F)c(-c2nnn[n-]2)c1 ZINC000822778951 599466369 /nfs/dbraw/zinc/46/63/69/599466369.db2.gz PJYIIKRLHNJVAV-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1ccc(NCCOc2ccccc2F)c(-c2nn[n-]n2)c1 ZINC000822778951 599466371 /nfs/dbraw/zinc/46/63/71/599466371.db2.gz PJYIIKRLHNJVAV-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ncccc1-c1nnn[n-]1 ZINC000736234230 599472363 /nfs/dbraw/zinc/47/23/63/599472363.db2.gz IQFDTJDESPHJSF-YPMHNXCESA-N -1 3 324.363 2.783 20 0 DFADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ncccc1-c1nn[n-]n1 ZINC000736234230 599472365 /nfs/dbraw/zinc/47/23/65/599472365.db2.gz IQFDTJDESPHJSF-YPMHNXCESA-N -1 3 324.363 2.783 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820869817 599474385 /nfs/dbraw/zinc/47/43/85/599474385.db2.gz IZTKSDJMIOOLSW-VXGBXAGGSA-N -1 3 316.409 2.615 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820869817 599474388 /nfs/dbraw/zinc/47/43/88/599474388.db2.gz IZTKSDJMIOOLSW-VXGBXAGGSA-N -1 3 316.409 2.615 20 0 DFADHM CC[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820978696 599474760 /nfs/dbraw/zinc/47/47/60/599474760.db2.gz CFYITLGOFIBWRD-FZMZJTMJSA-N -1 3 314.393 2.512 20 0 DFADHM CC[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820978696 599474761 /nfs/dbraw/zinc/47/47/61/599474761.db2.gz CFYITLGOFIBWRD-FZMZJTMJSA-N -1 3 314.393 2.512 20 0 DFADHM CCOC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000821368300 599490354 /nfs/dbraw/zinc/49/03/54/599490354.db2.gz SSBAVPPSNNOOOQ-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM CCOC1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000821368300 599490355 /nfs/dbraw/zinc/49/03/55/599490355.db2.gz SSBAVPPSNNOOOQ-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM Cc1occc1CN(C)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000822554066 599493327 /nfs/dbraw/zinc/49/33/27/599493327.db2.gz SVLIKOXDWGVRON-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1occc1CN(C)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000822554066 599493328 /nfs/dbraw/zinc/49/33/28/599493328.db2.gz SVLIKOXDWGVRON-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822226492 599516066 /nfs/dbraw/zinc/51/60/66/599516066.db2.gz VGXMPRBYLUJPDI-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822226492 599516068 /nfs/dbraw/zinc/51/60/68/599516068.db2.gz VGXMPRBYLUJPDI-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM C[C@H](NC(=O)CCC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820323900 599520848 /nfs/dbraw/zinc/52/08/48/599520848.db2.gz ZZZJYAYIMDVGRK-NSHDSACASA-N -1 3 301.394 2.870 20 0 DFADHM C[C@H](NC(=O)CCC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820323900 599520845 /nfs/dbraw/zinc/52/08/45/599520845.db2.gz ZZZJYAYIMDVGRK-NSHDSACASA-N -1 3 301.394 2.870 20 0 DFADHM CCCC(O)(CCC)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736435440 599530060 /nfs/dbraw/zinc/53/00/60/599530060.db2.gz LRDHLNVVSRGOQD-UHFFFAOYSA-N -1 3 324.816 2.658 20 0 DFADHM CC(C)n1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000735966524 599532304 /nfs/dbraw/zinc/53/23/04/599532304.db2.gz SBHOVEZNSMOEND-UHFFFAOYSA-N -1 3 317.784 2.910 20 0 DFADHM CC(C)n1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000735966524 599532305 /nfs/dbraw/zinc/53/23/05/599532305.db2.gz SBHOVEZNSMOEND-UHFFFAOYSA-N -1 3 317.784 2.910 20 0 DFADHM C[C@H](NC(=O)C=Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321813 599536043 /nfs/dbraw/zinc/53/60/43/599536043.db2.gz MTWLYTAPFOYWMK-OEYXZAGESA-N -1 3 319.368 2.757 20 0 DFADHM C[C@H](NC(=O)C=Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321813 599536046 /nfs/dbraw/zinc/53/60/46/599536046.db2.gz MTWLYTAPFOYWMK-OEYXZAGESA-N -1 3 319.368 2.757 20 0 DFADHM CCCO[C@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821128465 599546717 /nfs/dbraw/zinc/54/67/17/599546717.db2.gz UQSLZUFRNFNADS-ZDUSSCGKSA-N -1 3 319.384 2.791 20 0 DFADHM CCCO[C@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821128465 599546718 /nfs/dbraw/zinc/54/67/18/599546718.db2.gz UQSLZUFRNFNADS-ZDUSSCGKSA-N -1 3 319.384 2.791 20 0 DFADHM CCC(CC)[C@@H](O)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820892640 599549295 /nfs/dbraw/zinc/54/92/95/599549295.db2.gz DPAOXXIZCJPVEU-LBPRGKRZSA-N -1 3 309.801 2.729 20 0 DFADHM CCC(CC)[C@@H](O)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820892640 599549297 /nfs/dbraw/zinc/54/92/97/599549297.db2.gz DPAOXXIZCJPVEU-LBPRGKRZSA-N -1 3 309.801 2.729 20 0 DFADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820709138 599549456 /nfs/dbraw/zinc/54/94/56/599549456.db2.gz DPLBMAIAEYZBOZ-WDEREUQCSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820709138 599549459 /nfs/dbraw/zinc/54/94/59/599549459.db2.gz DPLBMAIAEYZBOZ-WDEREUQCSA-N -1 3 300.366 2.519 20 0 DFADHM CCC(CC)[C@H](O)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820892638 599549559 /nfs/dbraw/zinc/54/95/59/599549559.db2.gz DPAOXXIZCJPVEU-GFCCVEGCSA-N -1 3 309.801 2.729 20 0 DFADHM CCC(CC)[C@H](O)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820892638 599549561 /nfs/dbraw/zinc/54/95/61/599549561.db2.gz DPAOXXIZCJPVEU-GFCCVEGCSA-N -1 3 309.801 2.729 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1C2CCCC1CCC2 ZINC000823359507 599553862 /nfs/dbraw/zinc/55/38/62/599553862.db2.gz OYKOTJZRQDIATH-UHFFFAOYSA-N -1 3 312.377 2.806 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1C2CCCC1CCC2 ZINC000823359507 599553865 /nfs/dbraw/zinc/55/38/65/599553865.db2.gz OYKOTJZRQDIATH-UHFFFAOYSA-N -1 3 312.377 2.806 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000823359341 599554007 /nfs/dbraw/zinc/55/40/07/599554007.db2.gz LZCQJHSVNOJJBW-RISCZKNCSA-N -1 3 312.377 2.663 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000823359341 599554009 /nfs/dbraw/zinc/55/40/09/599554009.db2.gz LZCQJHSVNOJJBW-RISCZKNCSA-N -1 3 312.377 2.663 20 0 DFADHM Cc1noc(C)c1[C@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822519611 599558612 /nfs/dbraw/zinc/55/86/12/599558612.db2.gz JOWJGIZKTSBFPX-ZETCQYMHSA-N -1 3 302.313 2.784 20 0 DFADHM Cc1noc(C)c1[C@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822519611 599558615 /nfs/dbraw/zinc/55/86/15/599558615.db2.gz JOWJGIZKTSBFPX-ZETCQYMHSA-N -1 3 302.313 2.784 20 0 DFADHM Fc1ccc(N2CCc3ccccc3CC2)c(-c2nnn[n-]2)c1 ZINC000822778476 599560445 /nfs/dbraw/zinc/56/04/45/599560445.db2.gz IPHRTIWWYJQAIM-UHFFFAOYSA-N -1 3 309.348 2.611 20 0 DFADHM Fc1ccc(N2CCc3ccccc3CC2)c(-c2nn[n-]n2)c1 ZINC000822778476 599560447 /nfs/dbraw/zinc/56/04/47/599560447.db2.gz IPHRTIWWYJQAIM-UHFFFAOYSA-N -1 3 309.348 2.611 20 0 DFADHM CCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736488729 599561779 /nfs/dbraw/zinc/56/17/79/599561779.db2.gz RSCOAGVNRYSMLV-UHFFFAOYSA-N -1 3 322.372 2.750 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CC=CCC1 ZINC000822204468 599563847 /nfs/dbraw/zinc/56/38/47/599563847.db2.gz PQRPXBJMLLSTIN-LBPRGKRZSA-N -1 3 324.363 2.805 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CC=CCC1 ZINC000822204468 599563849 /nfs/dbraw/zinc/56/38/49/599563849.db2.gz PQRPXBJMLLSTIN-LBPRGKRZSA-N -1 3 324.363 2.805 20 0 DFADHM CC(C)CC[C@](C)(O)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000820073124 599570128 /nfs/dbraw/zinc/57/01/28/599570128.db2.gz QOVBJWSVRYCHEA-HNNXBMFYSA-N -1 3 307.373 2.605 20 0 DFADHM CC(C)CC[C@](C)(O)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000820073124 599570130 /nfs/dbraw/zinc/57/01/30/599570130.db2.gz QOVBJWSVRYCHEA-HNNXBMFYSA-N -1 3 307.373 2.605 20 0 DFADHM C[C@H](O)CC(C)(C)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820473776 599584001 /nfs/dbraw/zinc/58/40/01/599584001.db2.gz LOTQLUIRZQDAMG-VIFPVBQESA-N -1 3 309.801 2.729 20 0 DFADHM C[C@H](O)CC(C)(C)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820473776 599584003 /nfs/dbraw/zinc/58/40/03/599584003.db2.gz LOTQLUIRZQDAMG-VIFPVBQESA-N -1 3 309.801 2.729 20 0 DFADHM C[C@H](OC(=O)[C@H](C)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820479752 599622361 /nfs/dbraw/zinc/62/23/61/599622361.db2.gz BUGPTIIGRNNJPY-YUMQZZPRSA-N -1 3 314.267 2.669 20 0 DFADHM C[C@H](OC(=O)[C@H](C)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820479752 599622362 /nfs/dbraw/zinc/62/23/62/599622362.db2.gz BUGPTIIGRNNJPY-YUMQZZPRSA-N -1 3 314.267 2.669 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690359 599623060 /nfs/dbraw/zinc/62/30/60/599623060.db2.gz KJZXAOIGWCGWLB-RISCZKNCSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690359 599623061 /nfs/dbraw/zinc/62/30/61/599623061.db2.gz KJZXAOIGWCGWLB-RISCZKNCSA-N -1 3 300.362 2.736 20 0 DFADHM CCC[C@H](C)C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000821016779 599624770 /nfs/dbraw/zinc/62/47/70/599624770.db2.gz ZULLFRUFFYRUQZ-NWDGAFQWSA-N -1 3 318.377 2.613 20 0 DFADHM CCC[C@H](C)C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000821016779 599624771 /nfs/dbraw/zinc/62/47/71/599624771.db2.gz ZULLFRUFFYRUQZ-NWDGAFQWSA-N -1 3 318.377 2.613 20 0 DFADHM CCC[C@@H](C)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000821016777 599624878 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ZINC000825323099 607483522 /nfs/dbraw/zinc/48/35/22/607483522.db2.gz OJGMRUSOBHUEJG-UHFFFAOYSA-N -1 3 314.418 2.735 20 0 DFADHM C/C(=C/CN1CCC[C@H]1c1cccc2c1OCCO2)C(=O)[O-] ZINC000825741965 601162422 /nfs/dbraw/zinc/16/24/22/601162422.db2.gz UNKYATCAANKMEE-VDBIKXPHSA-N -1 3 303.358 2.626 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000830363347 601323723 /nfs/dbraw/zinc/32/37/23/601323723.db2.gz SIBKSLDSLNDFAZ-GJZGRUSLSA-N -1 3 320.433 2.989 20 0 DFADHM O=C([O-])[C@@H](NCCOCc1ccccc1)c1ccccc1F ZINC000833167129 601349758 /nfs/dbraw/zinc/34/97/58/601349758.db2.gz YGSBPVDQNZMHPB-INIZCTEOSA-N -1 3 303.333 2.758 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](n2ccnc2)C1 ZINC000830369992 601416881 /nfs/dbraw/zinc/41/68/81/601416881.db2.gz XMNMLFJLIRXXQA-ZDUSSCGKSA-N -1 3 303.362 2.574 20 0 DFADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](C)C1 ZINC000832914393 601429359 /nfs/dbraw/zinc/42/93/59/601429359.db2.gz DJRNGXAAGNJKQZ-UPJWGTAASA-N -1 3 304.390 2.608 20 0 DFADHM CC[C@@](C)(CC(=O)[O-])NCc1cnn(-c2ccc(Cl)cc2)n1 ZINC000828664463 601432232 /nfs/dbraw/zinc/43/22/32/601432232.db2.gz ABKRPUNRIYNDRR-HNNXBMFYSA-N -1 3 322.796 2.654 20 0 DFADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](C(C)C)C1 ZINC000832914129 601497884 /nfs/dbraw/zinc/49/78/84/601497884.db2.gz AZSFTBUBEBMMSW-DZGCQCFKSA-N -1 3 318.417 2.998 20 0 DFADHM Cc1cccc(-c2nnc([C@H](C)N3C[C@H](C(=O)[O-])[C@H](C)C3)o2)c1 ZINC000832960502 601501862 /nfs/dbraw/zinc/50/18/62/601501862.db2.gz IYHCRBYYIJEPIS-DYEKYZERSA-N -1 3 315.373 2.759 20 0 DFADHM Cc1oc(-c2ccsc2)nc1CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000833024948 601505260 /nfs/dbraw/zinc/50/52/60/601505260.db2.gz YVTLAGDEUMKKND-BXKDBHETSA-N -1 3 306.387 2.864 20 0 DFADHM Cc1ccc(-c2nnc([C@H](C)N3C[C@H](C(=O)[O-])[C@H](C)C3)o2)cc1 ZINC000832908262 601506915 /nfs/dbraw/zinc/50/69/15/601506915.db2.gz HVWFSNCUHOPPCF-DYEKYZERSA-N -1 3 315.373 2.759 20 0 DFADHM COc1ccc(CN(C)c2ccccc2F)cc1-c1nnn[n-]1 ZINC000826193289 607520252 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607534219 /nfs/dbraw/zinc/53/42/19/607534219.db2.gz OFTRVOYSBAFFNB-UHFFFAOYSA-N -1 3 313.386 2.871 20 0 DFADHM COc1ccc(CSc2ccc(C)cn2)cc1-c1nn[n-]n1 ZINC000826207998 607534221 /nfs/dbraw/zinc/53/42/21/607534221.db2.gz OFTRVOYSBAFFNB-UHFFFAOYSA-N -1 3 313.386 2.871 20 0 DFADHM C[C@@]1(C(=O)[O-])CCN(C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000828024779 601941951 /nfs/dbraw/zinc/94/19/51/601941951.db2.gz VVGUXUCWPLIZTJ-GXTWGEPZSA-N -1 3 317.307 2.535 20 0 DFADHM COc1ccc(CSCC2CCOCC2)cc1-c1nnn[n-]1 ZINC000826207409 607536049 /nfs/dbraw/zinc/53/60/49/607536049.db2.gz NCULHFNKJCCQQD-UHFFFAOYSA-N -1 3 320.418 2.535 20 0 DFADHM COc1ccc(CSCC2CCOCC2)cc1-c1nn[n-]n1 ZINC000826207409 607536051 /nfs/dbraw/zinc/53/60/51/607536051.db2.gz NCULHFNKJCCQQD-UHFFFAOYSA-N -1 3 320.418 2.535 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1nccs1 ZINC000826373644 607536169 /nfs/dbraw/zinc/53/61/69/607536169.db2.gz UUJVUAZJGJMILL-UHFFFAOYSA-N -1 3 307.379 2.896 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1nccs1 ZINC000826373644 607536170 /nfs/dbraw/zinc/53/61/70/607536170.db2.gz UUJVUAZJGJMILL-UHFFFAOYSA-N -1 3 307.379 2.896 20 0 DFADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CC[C@H](CCO)C1 ZINC000833172415 602046616 /nfs/dbraw/zinc/04/66/16/602046616.db2.gz VAMJLMNBTZVSLI-RNCFNFMXSA-N -1 3 318.200 2.823 20 0 DFADHM COc1ccc(CNc2ccc(C)cc2F)cc1-c1nnn[n-]1 ZINC000826204034 607545285 /nfs/dbraw/zinc/54/52/85/607545285.db2.gz UELXATLGMHSUBN-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(CNc2ccc(C)cc2F)cc1-c1nn[n-]n1 ZINC000826204034 607545287 /nfs/dbraw/zinc/54/52/87/607545287.db2.gz UELXATLGMHSUBN-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(C2(C)OCCO2)CC1 ZINC000827928197 602213484 /nfs/dbraw/zinc/21/34/84/602213484.db2.gz FJXRKHRLDZDPLF-NSHDSACASA-N -1 3 309.362 2.514 20 0 DFADHM CC[C@](C)(CC(=O)[O-])NCc1ccn(-c2cccc(F)c2)n1 ZINC000828664736 602216670 /nfs/dbraw/zinc/21/66/70/602216670.db2.gz HEMOBMYENCHEMC-MRXNPFEDSA-N -1 3 305.353 2.744 20 0 DFADHM Cc1cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)oc1C(=O)[O-] ZINC000832882280 602387312 /nfs/dbraw/zinc/38/73/12/602387312.db2.gz BZFTZVVOFKQEOZ-BXUZGUMPSA-N -1 3 303.362 2.566 20 0 DFADHM c1cc(-c2cccc(NCc3cccc(-c4nnn[n-]4)c3)c2)n[nH]1 ZINC000826517102 607564082 /nfs/dbraw/zinc/56/40/82/607564082.db2.gz QHOFLMNDPBZKHG-UHFFFAOYSA-N -1 3 317.356 2.869 20 0 DFADHM c1cc(-c2cccc(NCc3cccc(-c4nn[n-]n4)c3)c2)n[nH]1 ZINC000826517102 607564084 /nfs/dbraw/zinc/56/40/84/607564084.db2.gz QHOFLMNDPBZKHG-UHFFFAOYSA-N -1 3 317.356 2.869 20 0 DFADHM CN(C)Cc1cccc(NC(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000739614803 602390313 /nfs/dbraw/zinc/39/03/13/602390313.db2.gz JLPVUOHYLMDVNP-UHFFFAOYSA-N -1 3 319.405 2.513 20 0 DFADHM O=C([O-])NC[C@@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC000740621113 602456838 /nfs/dbraw/zinc/45/68/38/602456838.db2.gz ACPDVPHNPKLDGB-AWEZNQCLSA-N -1 3 315.373 2.563 20 0 DFADHM Cc1nc([C@@H](C)NCc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000826323508 607568891 /nfs/dbraw/zinc/56/88/91/607568891.db2.gz 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CC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825194619 607691801 /nfs/dbraw/zinc/69/18/01/607691801.db2.gz RJWNDMSAJBSCPE-ZDUSSCGKSA-N -1 3 313.405 2.827 20 0 DFADHM CC(C)(NCc1ccc(C(=O)[O-])s1)C(=O)NCC1CCCC1 ZINC000833460840 604482748 /nfs/dbraw/zinc/48/27/48/604482748.db2.gz KQWNNWCSCGZGKJ-UHFFFAOYSA-N -1 3 324.446 2.621 20 0 DFADHM O=C([O-])N1CCC(CNCc2cc(-c3ccccc3)on2)CC1 ZINC000831883639 604509206 /nfs/dbraw/zinc/50/92/06/604509206.db2.gz ZMMJUXGJBZNGKD-UHFFFAOYSA-N -1 3 315.373 2.821 20 0 DFADHM C[C@H](Oc1ccc(CN2CCS[C@@H](C)[C@H]2C)cc1)C(=O)[O-] ZINC000833543595 604655707 /nfs/dbraw/zinc/65/57/07/604655707.db2.gz ZXMKXHGRQQBYON-AGIUHOORSA-N -1 3 309.431 2.864 20 0 DFADHM COc1cccc(CN2CCC[C@H]2CC(=O)[O-])c1OC(F)F ZINC000833735825 604661567 /nfs/dbraw/zinc/66/15/67/604661567.db2.gz XGNUICMTZPXUEK-NSHDSACASA-N -1 3 315.316 2.736 20 0 DFADHM COc1ccccc1[C@H](CN[C@H](C)c1cncs1)NC(=O)[O-] ZINC000829597655 604760159 /nfs/dbraw/zinc/76/01/59/604760159.db2.gz 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C[C@H](c1nc2ccccc2o1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833828021 605424998 /nfs/dbraw/zinc/42/49/98/605424998.db2.gz CSNYWJXENVGQOV-IJLUTSLNSA-N -1 3 303.362 2.867 20 0 DFADHM CC(C)C[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824228826 607758477 /nfs/dbraw/zinc/75/84/77/607758477.db2.gz LYOOBUCXNJHCMK-NWDGAFQWSA-N -1 3 316.409 2.662 20 0 DFADHM CC(C)C[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824228826 607758478 /nfs/dbraw/zinc/75/84/78/607758478.db2.gz LYOOBUCXNJHCMK-NWDGAFQWSA-N -1 3 316.409 2.662 20 0 DFADHM O=C([O-])NCC1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000834226547 605489963 /nfs/dbraw/zinc/48/99/63/605489963.db2.gz ZUWYCVBBRHBUNX-UHFFFAOYSA-N -1 3 318.417 2.955 20 0 DFADHM CC(C)Cn1ccnc1CN[C@@H](C)C[C@H]1CCCN1C(=O)[O-] ZINC000824318989 605504791 /nfs/dbraw/zinc/50/47/91/605504791.db2.gz ZDKWNOVHEXIUOX-UONOGXRCSA-N -1 3 308.426 2.550 20 0 DFADHM O=C([O-])NC[C@@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000834220991 605556186 /nfs/dbraw/zinc/55/61/86/605556186.db2.gz QSWQTWWBTSZSKZ-NSHDSACASA-N -1 3 320.418 2.618 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC1(C2CC2)CCC1 ZINC000826401654 607763032 /nfs/dbraw/zinc/76/30/32/607763032.db2.gz DEPVVQMOXZSCEX-RMKNXTFCSA-N -1 3 323.400 2.576 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC1(C2CC2)CCC1 ZINC000826401654 607763033 /nfs/dbraw/zinc/76/30/33/607763033.db2.gz DEPVVQMOXZSCEX-RMKNXTFCSA-N -1 3 323.400 2.576 20 0 DFADHM O=C([O-])N1CCC[C@H](N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)C1 ZINC000834098509 605597982 /nfs/dbraw/zinc/59/79/82/605597982.db2.gz LFGNZNRIWGCABU-HRCADAONSA-N -1 3 322.380 2.778 20 0 DFADHM O=C([O-])N1CC[C@H](N(Cc2cncc3ccccc32)C2CC2)C1 ZINC000834086442 605621549 /nfs/dbraw/zinc/62/15/49/605621549.db2.gz ZBBMBVTYYCRSRV-INIZCTEOSA-N -1 3 311.385 2.952 20 0 DFADHM O=C([O-])NC[C@H]1CCC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000834215947 605647363 /nfs/dbraw/zinc/64/73/63/605647363.db2.gz RLCXTMILFZTAKH-IUODEOHRSA-N -1 3 306.410 2.524 20 0 DFADHM Cc1ccc(CCCNc2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000822236364 606029501 /nfs/dbraw/zinc/02/95/01/606029501.db2.gz WDLLYODNCDGYDV-UHFFFAOYSA-N -1 3 308.389 2.923 20 0 DFADHM Cc1ccc(CCCNc2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000822236364 606029507 /nfs/dbraw/zinc/02/95/07/606029507.db2.gz WDLLYODNCDGYDV-UHFFFAOYSA-N -1 3 308.389 2.923 20 0 DFADHM CCO[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000821351091 606041563 /nfs/dbraw/zinc/04/15/63/606041563.db2.gz KRGOMDIIWYAPCD-LBPRGKRZSA-N -1 3 324.816 2.778 20 0 DFADHM CCO[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000821351091 606041569 /nfs/dbraw/zinc/04/15/69/606041569.db2.gz KRGOMDIIWYAPCD-LBPRGKRZSA-N -1 3 324.816 2.778 20 0 DFADHM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CC1=Cc2ccccc2OC1 ZINC000834094971 606061896 /nfs/dbraw/zinc/06/18/96/606061896.db2.gz IZOGRCXJFCNZLP-CVEARBPZSA-N -1 3 314.385 2.679 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000822234694 606078499 /nfs/dbraw/zinc/07/84/99/606078499.db2.gz DVWRPDGHBBFQED-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000822234694 606078504 /nfs/dbraw/zinc/07/85/04/606078504.db2.gz DVWRPDGHBBFQED-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM CC(C)(CNc1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000819984004 606085986 /nfs/dbraw/zinc/08/59/86/606085986.db2.gz MIJRICPNTIQSGW-UHFFFAOYSA-N -1 3 300.391 2.713 20 0 DFADHM CC(C)(CNc1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000819984004 606085991 /nfs/dbraw/zinc/08/59/91/606085991.db2.gz MIJRICPNTIQSGW-UHFFFAOYSA-N -1 3 300.391 2.713 20 0 DFADHM FC(F)(F)CCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822714178 606097461 /nfs/dbraw/zinc/09/74/61/606097461.db2.gz IMAWSTDEKMJXIK-UHFFFAOYSA-N -1 3 308.267 2.779 20 0 DFADHM FC(F)(F)CCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822714178 606097463 /nfs/dbraw/zinc/09/74/63/606097463.db2.gz IMAWSTDEKMJXIK-UHFFFAOYSA-N -1 3 308.267 2.779 20 0 DFADHM CCS[C@H]1CCCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000821457056 606105478 /nfs/dbraw/zinc/10/54/78/606105478.db2.gz UKQNFEPCRJTNGT-NEPJUHHUSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@H]1CCCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000821457056 606105482 /nfs/dbraw/zinc/10/54/82/606105482.db2.gz UKQNFEPCRJTNGT-NEPJUHHUSA-N -1 3 304.423 2.738 20 0 DFADHM COc1ccccc1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC000821889598 606124585 /nfs/dbraw/zinc/12/45/85/606124585.db2.gz DAJXDRPNIITWPL-OAHLLOKOSA-N -1 3 322.372 2.612 20 0 DFADHM COc1ccccc1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC000821889598 606124586 /nfs/dbraw/zinc/12/45/86/606124586.db2.gz DAJXDRPNIITWPL-OAHLLOKOSA-N -1 3 322.372 2.612 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc2[nH]ccc21 ZINC000822220366 606152039 /nfs/dbraw/zinc/15/20/39/606152039.db2.gz NUPQXGZSQRVQDJ-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2[nH]ccc21 ZINC000822220366 606152041 /nfs/dbraw/zinc/15/20/41/606152041.db2.gz NUPQXGZSQRVQDJ-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCC1(C)C ZINC000822218014 606152270 /nfs/dbraw/zinc/15/22/70/606152270.db2.gz VNIIYYOJTXEDPX-CYBMUJFWSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCC1(C)C ZINC000822218014 606152272 /nfs/dbraw/zinc/15/22/72/606152272.db2.gz VNIIYYOJTXEDPX-CYBMUJFWSA-N -1 3 314.393 2.875 20 0 DFADHM C[C@@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC000820741752 606167274 /nfs/dbraw/zinc/16/72/74/606167274.db2.gz FQLLEQMBTDAQAN-JTQLQIEISA-N -1 3 316.434 2.684 20 0 DFADHM C[C@@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC000820741752 606167276 /nfs/dbraw/zinc/16/72/76/606167276.db2.gz FQLLEQMBTDAQAN-JTQLQIEISA-N -1 3 316.434 2.684 20 0 DFADHM Cc1cc(C)c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822194039 606177668 /nfs/dbraw/zinc/17/76/68/606177668.db2.gz GOKSPRCLNDWVSS-NSHDSACASA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C)c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822194039 606177670 /nfs/dbraw/zinc/17/76/70/606177670.db2.gz GOKSPRCLNDWVSS-NSHDSACASA-N -1 3 312.329 2.995 20 0 DFADHM Oc1ccc(CCNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000823727161 606215858 /nfs/dbraw/zinc/21/58/58/606215858.db2.gz QWUXQRZWSZCCTI-UHFFFAOYSA-N -1 3 317.299 2.505 20 0 DFADHM Oc1ccc(CCNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000823727161 606215860 /nfs/dbraw/zinc/21/58/60/606215860.db2.gz QWUXQRZWSZCCTI-UHFFFAOYSA-N -1 3 317.299 2.505 20 0 DFADHM CC[C@](C)(NCc1cc(-c2nnn[n-]2)cs1)c1nccs1 ZINC000820854008 606221339 /nfs/dbraw/zinc/22/13/39/606221339.db2.gz QJPSTWKVPICVDE-ZDUSSCGKSA-N -1 3 320.447 2.800 20 0 DFADHM CC[C@](C)(NCc1cc(-c2nn[n-]n2)cs1)c1nccs1 ZINC000820854008 606221340 /nfs/dbraw/zinc/22/13/40/606221340.db2.gz QJPSTWKVPICVDE-ZDUSSCGKSA-N -1 3 320.447 2.800 20 0 DFADHM C[C@@H]1[C@H](c2ccccc2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000820641557 606231821 /nfs/dbraw/zinc/23/18/21/606231821.db2.gz DEXLSRXVHAVTON-IUODEOHRSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1[C@H](c2ccccc2)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000820641557 606231822 /nfs/dbraw/zinc/23/18/22/606231822.db2.gz DEXLSRXVHAVTON-IUODEOHRSA-N -1 3 306.373 2.644 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cccnc1Cl ZINC000822221188 606248342 /nfs/dbraw/zinc/24/83/42/606248342.db2.gz DSGHGCPCGJOGAL-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cccnc1Cl ZINC000822221188 606248344 /nfs/dbraw/zinc/24/83/44/606248344.db2.gz DSGHGCPCGJOGAL-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000823347313 606262729 /nfs/dbraw/zinc/26/27/29/606262729.db2.gz VRCCBFPIVJZQED-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000823347313 606262731 /nfs/dbraw/zinc/26/27/31/606262731.db2.gz VRCCBFPIVJZQED-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(CCc1ccccc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822983125 606270307 /nfs/dbraw/zinc/27/03/07/606270307.db2.gz KTVLKPUABJZANW-UHFFFAOYSA-N -1 3 311.320 2.577 20 0 DFADHM O=C(CCc1ccccc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822983125 606270309 /nfs/dbraw/zinc/27/03/09/606270309.db2.gz KTVLKPUABJZANW-UHFFFAOYSA-N -1 3 311.320 2.577 20 0 DFADHM CCN(C(=O)/C=C/SC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147878 606310601 /nfs/dbraw/zinc/31/06/01/606310601.db2.gz KJBMDKNEARLUAO-USKTWTLRSA-N -1 3 317.418 2.653 20 0 DFADHM CCN(C(=O)/C=C/SC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147878 606310602 /nfs/dbraw/zinc/31/06/02/606310602.db2.gz KJBMDKNEARLUAO-USKTWTLRSA-N -1 3 317.418 2.653 20 0 DFADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc2ccccc2c1 ZINC000821573603 606313767 /nfs/dbraw/zinc/31/37/67/606313767.db2.gz XEZZZWLJCGDPFC-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc2ccccc2c1 ZINC000821573603 606313769 /nfs/dbraw/zinc/31/37/69/606313769.db2.gz XEZZZWLJCGDPFC-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CC(C)(C)c1nc(CSc2cccc(-c3nnn[n-]3)c2)no1 ZINC000819965440 606323772 /nfs/dbraw/zinc/32/37/72/606323772.db2.gz HBRLLERMHTUEON-UHFFFAOYSA-N -1 3 316.390 2.840 20 0 DFADHM CC(C)(C)c1nc(CSc2cccc(-c3nn[n-]n3)c2)no1 ZINC000819965440 606323774 /nfs/dbraw/zinc/32/37/74/606323774.db2.gz HBRLLERMHTUEON-UHFFFAOYSA-N -1 3 316.390 2.840 20 0 DFADHM CCC[C@H](C)Sc1nc(C(=O)OCC)ccc1-c1nnn[n-]1 ZINC000821016403 606327793 /nfs/dbraw/zinc/32/77/93/606327793.db2.gz VYPGMDWTFUKIMW-VIFPVBQESA-N -1 3 321.406 2.719 20 0 DFADHM CCC[C@H](C)Sc1nc(C(=O)OCC)ccc1-c1nn[n-]n1 ZINC000821016403 606327795 /nfs/dbraw/zinc/32/77/95/606327795.db2.gz VYPGMDWTFUKIMW-VIFPVBQESA-N -1 3 321.406 2.719 20 0 DFADHM Cc1cc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)ccc1F ZINC000822191680 606339359 /nfs/dbraw/zinc/33/93/59/606339359.db2.gz NUPXWQIYVSUAIW-SNVBAGLBSA-N -1 3 301.325 2.758 20 0 DFADHM Cc1ccc(O)c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822259368 606347068 /nfs/dbraw/zinc/34/70/68/606347068.db2.gz WOLAXGBHRSFHBK-LLVKDONJSA-N -1 3 324.340 2.799 20 0 DFADHM Cc1ccc(O)c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822259368 606347070 /nfs/dbraw/zinc/34/70/70/606347070.db2.gz WOLAXGBHRSFHBK-LLVKDONJSA-N -1 3 324.340 2.799 20 0 DFADHM Cc1ncsc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822482055 606357275 /nfs/dbraw/zinc/35/72/75/606357275.db2.gz JQJHGQFSUYLNJB-SECBINFHSA-N -1 3 315.358 2.550 20 0 DFADHM Cc1ncsc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822482055 606357276 /nfs/dbraw/zinc/35/72/76/606357276.db2.gz JQJHGQFSUYLNJB-SECBINFHSA-N -1 3 315.358 2.550 20 0 DFADHM C[C@H](OC(=O)[C@@H](C)c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488851 606357819 /nfs/dbraw/zinc/35/78/19/606357819.db2.gz VTEFCCIUSLALPX-QWRGUYRKSA-N -1 3 312.329 2.868 20 0 DFADHM C[C@H](OC(=O)[C@@H](C)c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488851 606357821 /nfs/dbraw/zinc/35/78/21/606357821.db2.gz VTEFCCIUSLALPX-QWRGUYRKSA-N -1 3 312.329 2.868 20 0 DFADHM CCOc1ccc(CSc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000821421626 606360676 /nfs/dbraw/zinc/36/06/76/606360676.db2.gz ARZMYRMYMGLWPD-UHFFFAOYSA-N -1 3 313.386 2.953 20 0 DFADHM CCOc1ccc(CSc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000821421626 606360677 /nfs/dbraw/zinc/36/06/77/606360677.db2.gz ARZMYRMYMGLWPD-UHFFFAOYSA-N -1 3 313.386 2.953 20 0 DFADHM CCCC[C@@H](CC)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821039686 606407294 /nfs/dbraw/zinc/40/72/94/606407294.db2.gz GKCNNFHLPJIIPR-LLVKDONJSA-N -1 3 305.382 2.578 20 0 DFADHM CCCC[C@@H](CC)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821039686 606407296 /nfs/dbraw/zinc/40/72/96/606407296.db2.gz GKCNNFHLPJIIPR-LLVKDONJSA-N -1 3 305.382 2.578 20 0 DFADHM CN(C(=O)[C@H]1CC=CCC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569406 606414373 /nfs/dbraw/zinc/41/43/73/606414373.db2.gz JCQOARIRSGYFJK-JTQLQIEISA-N -1 3 317.780 2.839 20 0 DFADHM CN(C(=O)[C@H]1CC=CCC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569406 606414375 /nfs/dbraw/zinc/41/43/75/606414375.db2.gz JCQOARIRSGYFJK-JTQLQIEISA-N -1 3 317.780 2.839 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@@H]1C ZINC000820769345 606417465 /nfs/dbraw/zinc/41/74/65/606417465.db2.gz SQPBAVIBZLACCZ-IUCAKERBSA-N -1 3 311.311 2.978 20 0 DFADHM CC[C@H](NCc1ccc(-c2nnn[n-]2)s1)c1nccs1 ZINC000820926388 606421606 /nfs/dbraw/zinc/42/16/06/606421606.db2.gz SPKCFSCHHIWSGW-VIFPVBQESA-N -1 3 306.420 2.626 20 0 DFADHM CC[C@H](NCc1ccc(-c2nn[n-]n2)s1)c1nccs1 ZINC000820926388 606421607 /nfs/dbraw/zinc/42/16/07/606421607.db2.gz SPKCFSCHHIWSGW-VIFPVBQESA-N -1 3 306.420 2.626 20 0 DFADHM CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000820046780 606426706 /nfs/dbraw/zinc/42/67/06/606426706.db2.gz UEDZLYVMDBQVBB-DOMZBBRYSA-N -1 3 319.384 2.869 20 0 DFADHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000819987771 606426733 /nfs/dbraw/zinc/42/67/33/606426733.db2.gz LDSODTTZZVGYIG-UHFFFAOYSA-N -1 3 320.784 2.830 20 0 DFADHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000819987771 606426735 /nfs/dbraw/zinc/42/67/35/606426735.db2.gz LDSODTTZZVGYIG-UHFFFAOYSA-N -1 3 320.784 2.830 20 0 DFADHM CC[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)Oc1cccc(C)c1 ZINC000820909663 606427733 /nfs/dbraw/zinc/42/77/33/606427733.db2.gz ZOIHTBKSFMNEOO-AWEZNQCLSA-N -1 3 324.388 2.840 20 0 DFADHM CC[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)Oc1cccc(C)c1 ZINC000820909663 606427735 /nfs/dbraw/zinc/42/77/35/606427735.db2.gz ZOIHTBKSFMNEOO-AWEZNQCLSA-N -1 3 324.388 2.840 20 0 DFADHM FC(F)COc1ccc(Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000822731968 606434703 /nfs/dbraw/zinc/43/47/03/606434703.db2.gz HAJONQVLZIVGMJ-UHFFFAOYSA-N -1 3 318.287 2.649 20 0 DFADHM FC(F)COc1ccc(Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000822731968 606434704 /nfs/dbraw/zinc/43/47/04/606434704.db2.gz HAJONQVLZIVGMJ-UHFFFAOYSA-N -1 3 318.287 2.649 20 0 DFADHM COC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821669250 606457480 /nfs/dbraw/zinc/45/74/80/606457480.db2.gz CESFXALKSOBJAV-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM COC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821669250 606457481 /nfs/dbraw/zinc/45/74/81/606457481.db2.gz CESFXALKSOBJAV-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)cc1F ZINC000820431597 606473448 /nfs/dbraw/zinc/47/34/48/606473448.db2.gz GVUXNNIHJBIGQG-QMMMGPOBSA-N -1 3 305.288 2.589 20 0 DFADHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(F)cc1F 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Cc1ccccc1[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822345997 606482766 /nfs/dbraw/zinc/48/27/66/606482766.db2.gz ZERRCFQVEKXDON-SNVBAGLBSA-N -1 3 313.386 2.728 20 0 DFADHM C[C@H]1CCC[C@H](OC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820696503 606488676 /nfs/dbraw/zinc/48/86/76/606488676.db2.gz ACHJEWWLDAUIAZ-FZMZJTMJSA-N -1 3 300.362 2.531 20 0 DFADHM C[C@H]1CCC[C@H](OC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820696503 606488677 /nfs/dbraw/zinc/48/86/77/606488677.db2.gz ACHJEWWLDAUIAZ-FZMZJTMJSA-N -1 3 300.362 2.531 20 0 DFADHM C[C@@H]1CC=CC[C@H]1COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820678222 606488797 /nfs/dbraw/zinc/48/87/97/606488797.db2.gz UBAHLGOIRJZSIC-DOMZBBRYSA-N -1 3 312.373 2.555 20 0 DFADHM C[C@@H]1CC=CC[C@H]1COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820678222 606488799 /nfs/dbraw/zinc/48/87/99/606488799.db2.gz UBAHLGOIRJZSIC-DOMZBBRYSA-N -1 3 312.373 2.555 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820979395 606492903 /nfs/dbraw/zinc/49/29/03/606492903.db2.gz 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CCC[C@]1(C)CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000821028039 606543971 /nfs/dbraw/zinc/54/39/71/606543971.db2.gz RYLLWTUWBKRUOP-OAHLLOKOSA-N -1 3 319.434 2.971 20 0 DFADHM CCC[C@]1(C)CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000821028039 606543972 /nfs/dbraw/zinc/54/39/72/606543972.db2.gz RYLLWTUWBKRUOP-OAHLLOKOSA-N -1 3 319.434 2.971 20 0 DFADHM CCC1(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCC1 ZINC000820962635 606552919 /nfs/dbraw/zinc/55/29/19/606552919.db2.gz WWIJKDAQBJJRKP-HJWRWDBZSA-N -1 3 311.389 2.576 20 0 DFADHM CCC1(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCC1 ZINC000820962635 606552921 /nfs/dbraw/zinc/55/29/21/606552921.db2.gz WWIJKDAQBJJRKP-HJWRWDBZSA-N -1 3 311.389 2.576 20 0 DFADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]1C ZINC000820717552 606570296 /nfs/dbraw/zinc/57/02/96/606570296.db2.gz SKZPAKRPTPVWPV-IUCAKERBSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]1C ZINC000820717552 606570298 /nfs/dbraw/zinc/57/02/98/606570298.db2.gz SKZPAKRPTPVWPV-IUCAKERBSA-N -1 3 320.784 2.782 20 0 DFADHM CCC(C)(CC)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820854314 606572926 /nfs/dbraw/zinc/57/29/26/606572926.db2.gz UDPOHFYCBKUBEM-LLVKDONJSA-N -1 3 316.409 2.806 20 0 DFADHM CCC(C)(CC)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820854314 606572928 /nfs/dbraw/zinc/57/29/28/606572928.db2.gz UDPOHFYCBKUBEM-LLVKDONJSA-N -1 3 316.409 2.806 20 0 DFADHM C[C@@H]1c2ccccc2CN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820826514 606580560 /nfs/dbraw/zinc/58/05/60/606580560.db2.gz NDXNPGNMMUYCAQ-GFCCVEGCSA-N -1 3 319.368 2.513 20 0 DFADHM C[C@@H]1c2ccccc2CN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820826514 606580561 /nfs/dbraw/zinc/58/05/61/606580561.db2.gz NDXNPGNMMUYCAQ-GFCCVEGCSA-N -1 3 319.368 2.513 20 0 DFADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000822000374 606592477 /nfs/dbraw/zinc/59/24/77/606592477.db2.gz LFSORZREFZMOCA-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000822000374 606592478 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CC1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCOCC1 ZINC000820623286 606610826 /nfs/dbraw/zinc/61/08/26/606610826.db2.gz KUIZMGHCXYTYDC-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM CC1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCOCC1 ZINC000820623286 606610828 /nfs/dbraw/zinc/61/08/28/606610828.db2.gz KUIZMGHCXYTYDC-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)/C=C1/CC[C@@H](C)C1 ZINC000821699073 606618043 /nfs/dbraw/zinc/61/80/43/606618043.db2.gz APKWIFCGKVZKHV-UBYNWHESSA-N -1 3 314.345 2.527 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)/C=C1/CC[C@@H](C)C1 ZINC000821699073 606618044 /nfs/dbraw/zinc/61/80/44/606618044.db2.gz APKWIFCGKVZKHV-UBYNWHESSA-N -1 3 314.345 2.527 20 0 DFADHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cnc1Cl ZINC000822208492 606640055 /nfs/dbraw/zinc/64/00/55/606640055.db2.gz UWWFYRQYYRKKSO-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cnc1Cl ZINC000822208492 606640056 /nfs/dbraw/zinc/64/00/56/606640056.db2.gz UWWFYRQYYRKKSO-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM O=C(Nc1ccc(F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823337796 606661689 /nfs/dbraw/zinc/66/16/89/606661689.db2.gz SIEVEZJFOOFGIC-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823337796 606661690 /nfs/dbraw/zinc/66/16/90/606661690.db2.gz SIEVEZJFOOFGIC-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823445531 606663377 /nfs/dbraw/zinc/66/33/77/606663377.db2.gz ZRHLZAWGTWULNO-ZBFHGGJFSA-N -1 3 320.352 2.651 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823445531 606663378 /nfs/dbraw/zinc/66/33/78/606663378.db2.gz ZRHLZAWGTWULNO-ZBFHGGJFSA-N -1 3 320.352 2.651 20 0 DFADHM CCC1(CC)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820957375 606695597 /nfs/dbraw/zinc/69/55/97/606695597.db2.gz OCQCABXRAIKGDO-UHFFFAOYSA-N -1 3 314.393 2.911 20 0 DFADHM CCC1(CC)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820957375 606695598 /nfs/dbraw/zinc/69/55/98/606695598.db2.gz OCQCABXRAIKGDO-UHFFFAOYSA-N -1 3 314.393 2.911 20 0 DFADHM COc1c(F)cc(F)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821698554 606709712 /nfs/dbraw/zinc/70/97/12/606709712.db2.gz OMUXMFAXINXOAV-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1c(F)cc(F)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821698554 606709713 /nfs/dbraw/zinc/70/97/13/606709713.db2.gz OMUXMFAXINXOAV-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NCCc1ccc(Cl)nc1 ZINC000822748323 606722063 /nfs/dbraw/zinc/72/20/63/606722063.db2.gz UCRKCYSXMZCLSX-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM Cc1nnc(N2CCC(CC(C)C)CC2)c(-c2nnn[n-]2)c1C ZINC000822510879 606724890 /nfs/dbraw/zinc/72/48/90/606724890.db2.gz XXKFKCDGWLAVPI-UHFFFAOYSA-N -1 3 315.425 2.536 20 0 DFADHM Cc1nnc(N2CCC(CC(C)C)CC2)c(-c2nn[n-]n2)c1C ZINC000822510879 606724893 /nfs/dbraw/zinc/72/48/93/606724893.db2.gz XXKFKCDGWLAVPI-UHFFFAOYSA-N -1 3 315.425 2.536 20 0 DFADHM CCc1oc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000821558873 606727110 /nfs/dbraw/zinc/72/71/10/606727110.db2.gz ILIMVPPSERDDNO-UHFFFAOYSA-N -1 3 315.308 2.722 20 0 DFADHM CCc1oc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000821558873 606727111 /nfs/dbraw/zinc/72/71/11/606727111.db2.gz ILIMVPPSERDDNO-UHFFFAOYSA-N -1 3 315.308 2.722 20 0 DFADHM Cc1nc(C)c(C)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822427087 606787557 /nfs/dbraw/zinc/78/75/57/606787557.db2.gz CHFJQOVVHIYHAB-LLVKDONJSA-N -1 3 309.377 2.755 20 0 DFADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)C(F)=C1CCCC1 ZINC000823421971 606797490 /nfs/dbraw/zinc/79/74/90/606797490.db2.gz LOPXSVXYUHZAJQ-UHFFFAOYSA-N -1 3 320.299 2.847 20 0 DFADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)C(F)=C1CCCC1 ZINC000823421971 606797493 /nfs/dbraw/zinc/79/74/93/606797493.db2.gz LOPXSVXYUHZAJQ-UHFFFAOYSA-N -1 3 320.299 2.847 20 0 DFADHM C[C@@H](NC(=O)Nc1ccsc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820379531 606829498 /nfs/dbraw/zinc/82/94/98/606829498.db2.gz COCLULCWGUQACR-SECBINFHSA-N -1 3 314.374 2.811 20 0 DFADHM C[C@@H](NC(=O)Nc1ccsc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820379531 606829499 /nfs/dbraw/zinc/82/94/99/606829499.db2.gz COCLULCWGUQACR-SECBINFHSA-N -1 3 314.374 2.811 20 0 DFADHM CN(C(=O)C(F)=C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821569780 606833318 /nfs/dbraw/zinc/83/33/18/606833318.db2.gz VPFMWMKQDPZFSF-UHFFFAOYSA-N -1 3 301.325 2.627 20 0 DFADHM CN(C(=O)C(F)=C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821569780 606833320 /nfs/dbraw/zinc/83/33/20/606833320.db2.gz VPFMWMKQDPZFSF-UHFFFAOYSA-N -1 3 301.325 2.627 20 0 DFADHM CCC(C)(CC)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820854899 606834550 /nfs/dbraw/zinc/83/45/50/606834550.db2.gz ZVELEXTWCOZOHG-LLVKDONJSA-N -1 3 316.409 2.806 20 0 DFADHM CCC(C)(CC)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820854899 606834551 /nfs/dbraw/zinc/83/45/51/606834551.db2.gz ZVELEXTWCOZOHG-LLVKDONJSA-N -1 3 316.409 2.806 20 0 DFADHM c1cc(OCCCSC[C@@H]2CCCO2)cc(-c2nnn[n-]2)c1 ZINC000823762647 606841673 /nfs/dbraw/zinc/84/16/73/606841673.db2.gz ROYUQALLGFGTHD-AWEZNQCLSA-N -1 3 320.418 2.548 20 0 DFADHM c1cc(OCCCSC[C@@H]2CCCO2)cc(-c2nn[n-]n2)c1 ZINC000823762647 606841675 /nfs/dbraw/zinc/84/16/75/606841675.db2.gz ROYUQALLGFGTHD-AWEZNQCLSA-N -1 3 320.418 2.548 20 0 DFADHM Fc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)nc1 ZINC000822772052 606882218 /nfs/dbraw/zinc/88/22/18/606882218.db2.gz QBUWAZZNKDMGGT-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)nc1 ZINC000822772052 606882220 /nfs/dbraw/zinc/88/22/20/606882220.db2.gz QBUWAZZNKDMGGT-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1F ZINC000823451032 606918134 /nfs/dbraw/zinc/91/81/34/606918134.db2.gz SWUFYGHDTFWSMR-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1F ZINC000823451032 606918137 /nfs/dbraw/zinc/91/81/37/606918137.db2.gz SWUFYGHDTFWSMR-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM CC(C)c1csc(CNCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820197988 606922710 /nfs/dbraw/zinc/92/27/10/606922710.db2.gz QATMQWGPUPJVCI-UHFFFAOYSA-N -1 3 314.418 2.736 20 0 DFADHM CC(=O)c1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819844718 606924900 /nfs/dbraw/zinc/92/49/00/606924900.db2.gz LFVKPWIVJRBMHQ-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM CC(=O)c1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819844718 606924901 /nfs/dbraw/zinc/92/49/01/606924901.db2.gz LFVKPWIVJRBMHQ-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM COc1cc(F)c(NCc2ccccc2-c2nnn[n-]2)cc1F ZINC000821719584 606931092 /nfs/dbraw/zinc/93/10/92/606931092.db2.gz FUNYASADCVVMDL-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1cc(F)c(NCc2ccccc2-c2nn[n-]n2)cc1F ZINC000821719584 606931093 /nfs/dbraw/zinc/93/10/93/606931093.db2.gz FUNYASADCVVMDL-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CC(C)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820038409 606937773 /nfs/dbraw/zinc/93/77/73/606937773.db2.gz NMUAEDQYFCOIGL-UHFFFAOYSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820038409 606937774 /nfs/dbraw/zinc/93/77/74/606937774.db2.gz NMUAEDQYFCOIGL-UHFFFAOYSA-N -1 3 313.405 2.811 20 0 DFADHM COC(C)(C)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821673510 606939474 /nfs/dbraw/zinc/93/94/74/606939474.db2.gz DJJHVAICTIWHOE-UHFFFAOYSA-N -1 3 315.299 2.722 20 0 DFADHM COC(C)(C)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821673510 606939475 /nfs/dbraw/zinc/93/94/75/606939475.db2.gz DJJHVAICTIWHOE-UHFFFAOYSA-N -1 3 315.299 2.722 20 0 DFADHM C[C@]1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CCCS1 ZINC000820623123 606946160 /nfs/dbraw/zinc/94/61/60/606946160.db2.gz FTLABHZYUGRMKJ-GFCCVEGCSA-N -1 3 310.814 2.613 20 0 DFADHM C[C@]1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CCCS1 ZINC000820623123 606946161 /nfs/dbraw/zinc/94/61/61/606946161.db2.gz FTLABHZYUGRMKJ-GFCCVEGCSA-N -1 3 310.814 2.613 20 0 DFADHM CCCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000821034822 606950158 /nfs/dbraw/zinc/95/01/58/606950158.db2.gz UVCCGFDUSSKSED-UHFFFAOYSA-N -1 3 314.393 2.959 20 0 DFADHM CCCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000821034822 606950160 /nfs/dbraw/zinc/95/01/60/606950160.db2.gz UVCCGFDUSSKSED-UHFFFAOYSA-N -1 3 314.393 2.959 20 0 DFADHM CN(C(=O)C=Cc1cccc(F)c1)c1ccccc1-c1nnn[n-]1 ZINC000821569851 606971396 /nfs/dbraw/zinc/97/13/96/606971396.db2.gz YENONUTZPHTFGK-MDZDMXLPSA-N -1 3 323.331 2.682 20 0 DFADHM CN(C(=O)C=Cc1cccc(F)c1)c1ccccc1-c1nn[n-]n1 ZINC000821569851 606971398 /nfs/dbraw/zinc/97/13/98/606971398.db2.gz YENONUTZPHTFGK-MDZDMXLPSA-N -1 3 323.331 2.682 20 0 DFADHM Fc1ccc(CN2CC[C@@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000822766609 606975392 /nfs/dbraw/zinc/97/53/92/606975392.db2.gz KYUYEBGSWJCHEU-MRXNPFEDSA-N -1 3 309.348 2.953 20 0 DFADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)o1 ZINC000823426577 606992586 /nfs/dbraw/zinc/99/25/86/606992586.db2.gz KSFFPASFOQXAEU-UHFFFAOYSA-N -1 3 322.683 2.609 20 0 DFADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)o1 ZINC000823426577 606992587 /nfs/dbraw/zinc/99/25/87/606992587.db2.gz KSFFPASFOQXAEU-UHFFFAOYSA-N -1 3 322.683 2.609 20 0 DFADHM C[C@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819882942 607001257 /nfs/dbraw/zinc/00/12/57/607001257.db2.gz DBTSYSSNSFGPOU-JTQLQIEISA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819882942 607001259 /nfs/dbraw/zinc/00/12/59/607001259.db2.gz DBTSYSSNSFGPOU-JTQLQIEISA-N -1 3 318.352 2.875 20 0 DFADHM CC(=O)c1ccccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819844920 607004873 /nfs/dbraw/zinc/00/48/73/607004873.db2.gz OJQIQRPZDAULRY-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccccc1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819844920 607004875 /nfs/dbraw/zinc/00/48/75/607004875.db2.gz OJQIQRPZDAULRY-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM Fc1ccc(Cn2cc(-c3ccccc3)cn2)cc1-c1nnn[n-]1 ZINC000822774771 607009126 /nfs/dbraw/zinc/00/91/26/607009126.db2.gz OBPMNXBEJHYCRA-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1ccc(Cn2cc(-c3ccccc3)cn2)cc1-c1nn[n-]n1 ZINC000822774771 607009127 /nfs/dbraw/zinc/00/91/27/607009127.db2.gz OBPMNXBEJHYCRA-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000820555586 607013391 /nfs/dbraw/zinc/01/33/91/607013391.db2.gz NEXMFULPDJNNAB-VIFPVBQESA-N -1 3 306.391 2.689 20 0 DFADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000820555586 607013393 /nfs/dbraw/zinc/01/33/93/607013393.db2.gz NEXMFULPDJNNAB-VIFPVBQESA-N -1 3 306.391 2.689 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000821699170 607023477 /nfs/dbraw/zinc/02/34/77/607023477.db2.gz FFNCJQPWJIQWEG-WDEREUQCSA-N -1 3 316.361 2.607 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000821699170 607023478 /nfs/dbraw/zinc/02/34/78/607023478.db2.gz FFNCJQPWJIQWEG-WDEREUQCSA-N -1 3 316.361 2.607 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H]1CC[C@H](C)C1 ZINC000821699169 607023799 /nfs/dbraw/zinc/02/37/99/607023799.db2.gz FFNCJQPWJIQWEG-QWRGUYRKSA-N -1 3 316.361 2.607 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H]1CC[C@H](C)C1 ZINC000821699169 607023801 /nfs/dbraw/zinc/02/38/01/607023801.db2.gz FFNCJQPWJIQWEG-QWRGUYRKSA-N -1 3 316.361 2.607 20 0 DFADHM Cc1nc(SCc2cc(F)ccc2-c2nnn[n-]2)oc1C ZINC000822454310 607028491 /nfs/dbraw/zinc/02/84/91/607028491.db2.gz VBYPTGLIGICBGC-UHFFFAOYSA-N -1 3 305.338 2.903 20 0 DFADHM Cc1nc(SCc2cc(F)ccc2-c2nn[n-]n2)oc1C ZINC000822454310 607028493 /nfs/dbraw/zinc/02/84/93/607028493.db2.gz VBYPTGLIGICBGC-UHFFFAOYSA-N -1 3 305.338 2.903 20 0 DFADHM Cc1cccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822299224 607032816 /nfs/dbraw/zinc/03/28/16/607032816.db2.gz BWBPWGFECLELOE-INIZCTEOSA-N -1 3 306.373 2.912 20 0 DFADHM Cc1nnc([C@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000822510998 607034893 /nfs/dbraw/zinc/03/48/93/607034893.db2.gz YZGXIRNRZLAARH-ZETCQYMHSA-N -1 3 320.353 2.692 20 0 DFADHM Cc1nnc([C@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000822510998 607034894 /nfs/dbraw/zinc/03/48/94/607034894.db2.gz YZGXIRNRZLAARH-ZETCQYMHSA-N -1 3 320.353 2.692 20 0 DFADHM CCOC(=O)C[C@@H](C)SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821326374 607039386 /nfs/dbraw/zinc/03/93/86/607039386.db2.gz WIUZZWZHWMONNJ-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)C[C@@H](C)SCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821326374 607039387 /nfs/dbraw/zinc/03/93/87/607039387.db2.gz WIUZZWZHWMONNJ-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM CC(C)CO[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820097415 607044530 /nfs/dbraw/zinc/04/45/30/607044530.db2.gz OEBGBOXRFWHHLA-LBPRGKRZSA-N -1 3 321.812 2.771 20 0 DFADHM CC(C)CO[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820097415 607044531 /nfs/dbraw/zinc/04/45/31/607044531.db2.gz OEBGBOXRFWHHLA-LBPRGKRZSA-N -1 3 321.812 2.771 20 0 DFADHM CCC(CC)(CC)CNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820881903 607048524 /nfs/dbraw/zinc/04/85/24/607048524.db2.gz FHIKBUVOXAJQOY-UHFFFAOYSA-N -1 3 315.421 2.742 20 0 DFADHM CCC(CC)(CC)CNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820881903 607048525 /nfs/dbraw/zinc/04/85/25/607048525.db2.gz FHIKBUVOXAJQOY-UHFFFAOYSA-N -1 3 315.421 2.742 20 0 DFADHM Cc1cccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000822289222 607074464 /nfs/dbraw/zinc/07/44/64/607074464.db2.gz VBEPRKOJXQDPBT-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000822289222 607074466 /nfs/dbraw/zinc/07/44/66/607074466.db2.gz VBEPRKOJXQDPBT-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000820686093 607090405 /nfs/dbraw/zinc/09/04/05/607090405.db2.gz WZOCFDQOSPWJCX-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC000820686093 607090407 /nfs/dbraw/zinc/09/04/07/607090407.db2.gz WZOCFDQOSPWJCX-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM CCCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000821028410 607091558 /nfs/dbraw/zinc/09/15/58/607091558.db2.gz VDVQQSHNJTULRO-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM CCCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000821028410 607091560 /nfs/dbraw/zinc/09/15/60/607091560.db2.gz VDVQQSHNJTULRO-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM COc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821877758 607119562 /nfs/dbraw/zinc/11/95/62/607119562.db2.gz URVQZKNXRIHLKY-HNNXBMFYSA-N -1 3 307.357 2.975 20 0 DFADHM CC(C)c1nc(CNc2ccc(-c3nn[n-]n3)cc2Cl)no1 ZINC000820202997 607124619 /nfs/dbraw/zinc/12/46/19/607124619.db2.gz NVCOBBVGZFZULX-UHFFFAOYSA-N -1 3 319.756 2.639 20 0 DFADHM Cc1ncc(CNc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822471663 607125259 /nfs/dbraw/zinc/12/52/59/607125259.db2.gz HFZNMJWTNAYQFB-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1Oc1ncnc2sccc21 ZINC000822748295 607128742 /nfs/dbraw/zinc/12/87/42/607128742.db2.gz RWWACWYBNBPOTG-UHFFFAOYSA-N -1 3 314.305 2.803 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2sccc21 ZINC000822748295 607128743 /nfs/dbraw/zinc/12/87/43/607128743.db2.gz RWWACWYBNBPOTG-UHFFFAOYSA-N -1 3 314.305 2.803 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCC(F)(F)C1 ZINC000823308595 607141930 /nfs/dbraw/zinc/14/19/30/607141930.db2.gz GNMPOOBGDPDCOY-LLVKDONJSA-N -1 3 322.319 2.566 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCC(F)(F)C1 ZINC000823308595 607141932 /nfs/dbraw/zinc/14/19/32/607141932.db2.gz GNMPOOBGDPDCOY-LLVKDONJSA-N -1 3 322.319 2.566 20 0 DFADHM CCc1oc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821559170 607157120 /nfs/dbraw/zinc/15/71/20/607157120.db2.gz XLJIGDFCOXWHBU-UHFFFAOYSA-N -1 3 311.345 2.607 20 0 DFADHM CCc1oc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821559170 607157121 /nfs/dbraw/zinc/15/71/21/607157121.db2.gz XLJIGDFCOXWHBU-UHFFFAOYSA-N -1 3 311.345 2.607 20 0 DFADHM Cc1cc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)oc1C ZINC000822184677 607157565 /nfs/dbraw/zinc/15/75/65/607157565.db2.gz ZGEOPHKKMGPZSH-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)oc1C ZINC000822184677 607157566 /nfs/dbraw/zinc/15/75/66/607157566.db2.gz ZGEOPHKKMGPZSH-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)oc1C ZINC000822184308 607157622 /nfs/dbraw/zinc/15/76/22/607157622.db2.gz RRVBEBDEHIBSIZ-LLVKDONJSA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)oc1C ZINC000822184308 607157623 /nfs/dbraw/zinc/15/76/23/607157623.db2.gz RRVBEBDEHIBSIZ-LLVKDONJSA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)oc1C ZINC000822184435 607157625 /nfs/dbraw/zinc/15/76/25/607157625.db2.gz UKTXJOXYKPUPMF-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)oc1C ZINC000822184435 607157626 /nfs/dbraw/zinc/15/76/26/607157626.db2.gz UKTXJOXYKPUPMF-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM CC(C)CC[C@@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820072468 607164020 /nfs/dbraw/zinc/16/40/20/607164020.db2.gz HBTDANZMBMBKMX-HNNXBMFYSA-N -1 3 313.405 2.908 20 0 DFADHM CC(C)CC[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820072468 607164022 /nfs/dbraw/zinc/16/40/22/607164022.db2.gz 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ZINC000826351432 608023686 /nfs/dbraw/zinc/02/36/86/608023686.db2.gz MILXIAYXUJCYFX-UHFFFAOYSA-N -1 3 317.736 2.965 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(OCc2ncc(C3CC3)o2)c1 ZINC000826351432 608023687 /nfs/dbraw/zinc/02/36/87/608023687.db2.gz MILXIAYXUJCYFX-UHFFFAOYSA-N -1 3 317.736 2.965 20 0 DFADHM Cc1cc2c(ncnc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000826273323 608046444 /nfs/dbraw/zinc/04/64/44/608046444.db2.gz YUFBLQQBELWWFU-UHFFFAOYSA-N -1 3 310.342 2.972 20 0 DFADHM Cc1cc2c(ncnc2Oc2ccccc2-c2nn[n-]n2)s1 ZINC000826273323 608046445 /nfs/dbraw/zinc/04/64/45/608046445.db2.gz YUFBLQQBELWWFU-UHFFFAOYSA-N -1 3 310.342 2.972 20 0 DFADHM C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1Br ZINC000824945594 608050480 /nfs/dbraw/zinc/05/04/80/608050480.db2.gz DVOFIXPCPBYQKT-QMMMGPOBSA-N -1 3 308.183 2.618 20 0 DFADHM FC(F)CN(Cc1cccc(-c2nnn[n-]2)c1)CC1CCC1 ZINC000826369535 608064805 /nfs/dbraw/zinc/06/48/05/608064805.db2.gz HBIXQBFBZURCGT-UHFFFAOYSA-N -1 3 307.348 2.734 20 0 DFADHM FC(F)CN(Cc1cccc(-c2nn[n-]n2)c1)CC1CCC1 ZINC000826369535 608064806 /nfs/dbraw/zinc/06/48/06/608064806.db2.gz HBIXQBFBZURCGT-UHFFFAOYSA-N -1 3 307.348 2.734 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000825095914 608071546 /nfs/dbraw/zinc/07/15/46/608071546.db2.gz KIYGNHHEJRZVOQ-SECBINFHSA-N -1 3 306.341 2.984 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000825095914 608071547 /nfs/dbraw/zinc/07/15/47/608071547.db2.gz KIYGNHHEJRZVOQ-SECBINFHSA-N -1 3 306.341 2.984 20 0 DFADHM CCC[C@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825226227 608115416 /nfs/dbraw/zinc/11/54/16/608115416.db2.gz ZBCSOBIFVNWCJZ-HNNXBMFYSA-N -1 3 315.421 2.897 20 0 DFADHM CCC[C@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825226227 608115417 /nfs/dbraw/zinc/11/54/17/608115417.db2.gz ZBCSOBIFVNWCJZ-HNNXBMFYSA-N -1 3 315.421 2.897 20 0 DFADHM CC(C)n1cccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000824371620 608118185 /nfs/dbraw/zinc/11/81/85/608118185.db2.gz LZQLVXAJXLJQPD-UHFFFAOYSA-N -1 3 311.345 2.606 20 0 DFADHM CC(C)n1cccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000824371620 608118186 /nfs/dbraw/zinc/11/81/86/608118186.db2.gz LZQLVXAJXLJQPD-UHFFFAOYSA-N -1 3 311.345 2.606 20 0 DFADHM CC(C)n1cccc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000824371880 608120372 /nfs/dbraw/zinc/12/03/72/608120372.db2.gz XDOIMRFRGKNGTI-UHFFFAOYSA-N -1 3 310.361 2.526 20 0 DFADHM CC(C)n1cccc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000824371880 608120373 /nfs/dbraw/zinc/12/03/73/608120373.db2.gz XDOIMRFRGKNGTI-UHFFFAOYSA-N -1 3 310.361 2.526 20 0 DFADHM C[C@H](OC(=O)[C@H]1CCC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000824712725 608141790 /nfs/dbraw/zinc/14/17/90/608141790.db2.gz CANACKXAQDILLA-SUNKGSAMSA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H](OC(=O)[C@H]1CCC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000824712725 608141791 /nfs/dbraw/zinc/14/17/91/608141791.db2.gz CANACKXAQDILLA-SUNKGSAMSA-N -1 3 300.362 2.907 20 0 DFADHM Cc1nnc([C@H](C)Sc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826335334 608144191 /nfs/dbraw/zinc/14/41/91/608144191.db2.gz JDFWJKAYSYJSHN-ZETCQYMHSA-N -1 3 304.404 2.880 20 0 DFADHM Cc1nnc([C@H](C)Sc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826335334 608144192 /nfs/dbraw/zinc/14/41/92/608144192.db2.gz JDFWJKAYSYJSHN-ZETCQYMHSA-N -1 3 304.404 2.880 20 0 DFADHM C[C@@H](O)CCc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824698402 608149525 /nfs/dbraw/zinc/14/95/25/608149525.db2.gz KUECSOKCIPRFJV-CYBMUJFWSA-N -1 3 324.384 2.759 20 0 DFADHM C[C@@H](O)CCc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824698402 608149526 /nfs/dbraw/zinc/14/95/26/608149526.db2.gz KUECSOKCIPRFJV-CYBMUJFWSA-N -1 3 324.384 2.759 20 0 DFADHM C[C@H](O)CCc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824698404 608149899 /nfs/dbraw/zinc/14/98/99/608149899.db2.gz KUECSOKCIPRFJV-ZDUSSCGKSA-N -1 3 324.384 2.759 20 0 DFADHM C[C@H](O)CCc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824698404 608149901 /nfs/dbraw/zinc/14/99/01/608149901.db2.gz KUECSOKCIPRFJV-ZDUSSCGKSA-N -1 3 324.384 2.759 20 0 DFADHM c1cnn(-c2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000826516430 608153048 /nfs/dbraw/zinc/15/30/48/608153048.db2.gz KXIZJVSGGLANCE-UHFFFAOYSA-N -1 3 318.340 2.631 20 0 DFADHM c1cnn(-c2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000826516430 608153049 /nfs/dbraw/zinc/15/30/49/608153049.db2.gz KXIZJVSGGLANCE-UHFFFAOYSA-N -1 3 318.340 2.631 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(Cl)nc1 ZINC000826184877 608154186 /nfs/dbraw/zinc/15/41/86/608154186.db2.gz ODLKDDSVNGUOFT-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CC12CCCCC2 ZINC000826246686 608164626 /nfs/dbraw/zinc/16/46/26/608164626.db2.gz JLFBYCDNPWBCIF-CQSZACIVSA-N -1 3 311.389 2.628 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CC12CCCCC2 ZINC000826246686 608164628 /nfs/dbraw/zinc/16/46/28/608164628.db2.gz JLFBYCDNPWBCIF-CQSZACIVSA-N -1 3 311.389 2.628 20 0 DFADHM CCc1nsc(Oc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000825776867 608190344 /nfs/dbraw/zinc/19/03/44/608190344.db2.gz MDWUFYJHJLQSMB-UHFFFAOYSA-N -1 3 308.754 2.726 20 0 DFADHM CCc1nsc(Oc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000825776867 608190342 /nfs/dbraw/zinc/19/03/42/608190342.db2.gz MDWUFYJHJLQSMB-UHFFFAOYSA-N -1 3 308.754 2.726 20 0 DFADHM C[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000826232425 608191799 /nfs/dbraw/zinc/19/17/99/608191799.db2.gz KWLRKGJDXJJIDN-NSHDSACASA-N -1 3 312.329 2.697 20 0 DFADHM C[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000826232425 608191800 /nfs/dbraw/zinc/19/18/00/608191800.db2.gz KWLRKGJDXJJIDN-NSHDSACASA-N -1 3 312.329 2.697 20 0 DFADHM Cc1nscc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826340272 608212676 /nfs/dbraw/zinc/21/26/76/608212676.db2.gz PQBYOICRCPYLNV-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1nscc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826340272 608212678 /nfs/dbraw/zinc/21/26/78/608212678.db2.gz PQBYOICRCPYLNV-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1nscc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826339954 608212813 /nfs/dbraw/zinc/21/28/13/608212813.db2.gz APGDVASVPGQRRJ-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1nscc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826339954 608212815 /nfs/dbraw/zinc/21/28/15/608212815.db2.gz APGDVASVPGQRRJ-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM CSCC[C@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826228291 608228925 /nfs/dbraw/zinc/22/89/25/608228925.db2.gz KXARYFPPWIBASA-JTQLQIEISA-N -1 3 314.418 2.968 20 0 DFADHM CSCC[C@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826228291 608228926 /nfs/dbraw/zinc/22/89/26/608228926.db2.gz KXARYFPPWIBASA-JTQLQIEISA-N -1 3 314.418 2.968 20 0 DFADHM Cc1cnc(CNc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826318583 608237046 /nfs/dbraw/zinc/23/70/46/608237046.db2.gz QGCYHOJNVMDUSB-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(C(C)=O)cc1 ZINC000826173182 608260794 /nfs/dbraw/zinc/26/07/94/608260794.db2.gz QVZWAJRWANNKGK-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(C(C)=O)cc1 ZINC000826173182 608260796 /nfs/dbraw/zinc/26/07/96/608260796.db2.gz QVZWAJRWANNKGK-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825192743 608262138 /nfs/dbraw/zinc/26/21/38/608262138.db2.gz HVTIUCNRTXQRDK-MWLCHTKSSA-N -1 3 318.356 2.801 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825192743 608262140 /nfs/dbraw/zinc/26/21/40/608262140.db2.gz HVTIUCNRTXQRDK-MWLCHTKSSA-N -1 3 318.356 2.801 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nc(C)c(C)o1 ZINC000826173736 608263422 /nfs/dbraw/zinc/26/34/22/608263422.db2.gz RXVAIRNATQUIAN-UHFFFAOYSA-N -1 3 317.374 2.772 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nc(C)c(C)o1 ZINC000826173736 608263423 /nfs/dbraw/zinc/26/34/23/608263423.db2.gz RXVAIRNATQUIAN-UHFFFAOYSA-N -1 3 317.374 2.772 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825193841 608270840 /nfs/dbraw/zinc/27/08/40/608270840.db2.gz ODKZFCBFGHINIO-SCZZXKLOSA-N -1 3 321.331 2.548 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825193841 608270842 /nfs/dbraw/zinc/27/08/42/608270842.db2.gz ODKZFCBFGHINIO-SCZZXKLOSA-N -1 3 321.331 2.548 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCSc2ccccc2)n1 ZINC000826276704 608271464 /nfs/dbraw/zinc/27/14/64/608271464.db2.gz SHPSOVOUSQSCIX-UHFFFAOYSA-N -1 3 312.402 2.774 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCSc2ccccc2)n1 ZINC000826276704 608271465 /nfs/dbraw/zinc/27/14/65/608271465.db2.gz SHPSOVOUSQSCIX-UHFFFAOYSA-N -1 3 312.402 2.774 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCCOC2CCCCC2)n1 ZINC000826276448 608271618 /nfs/dbraw/zinc/27/16/18/608271618.db2.gz HGFCWPUTRSCFBW-UHFFFAOYSA-N -1 3 316.409 2.721 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCCOC2CCCCC2)n1 ZINC000826276448 608271620 /nfs/dbraw/zinc/27/16/20/608271620.db2.gz HGFCWPUTRSCFBW-UHFFFAOYSA-N -1 3 316.409 2.721 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc([C@H]3C[C@@H]3C)o2)n1 ZINC000826276396 608277087 /nfs/dbraw/zinc/27/70/87/608277087.db2.gz DUNJBSIJHZGKIT-ZANVPECISA-N -1 3 310.361 2.899 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc([C@H]3C[C@@H]3C)o2)n1 ZINC000826276396 608277088 /nfs/dbraw/zinc/27/70/88/608277088.db2.gz DUNJBSIJHZGKIT-ZANVPECISA-N -1 3 310.361 2.899 20 0 DFADHM CC1(C)CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000824806811 608281164 /nfs/dbraw/zinc/28/11/64/608281164.db2.gz CGPRKUYZDCHTFY-UHFFFAOYSA-N -1 3 312.421 2.767 20 0 DFADHM CC1(C)CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000824806811 608281166 /nfs/dbraw/zinc/28/11/66/608281166.db2.gz CGPRKUYZDCHTFY-UHFFFAOYSA-N -1 3 312.421 2.767 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](c3ccccc3C)C2)n1 ZINC000826274632 608282031 /nfs/dbraw/zinc/28/20/31/608282031.db2.gz XWNHPYPEICMNBI-AWEZNQCLSA-N -1 3 320.400 2.872 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](c3ccccc3C)C2)n1 ZINC000826274632 608282033 /nfs/dbraw/zinc/28/20/33/608282033.db2.gz XWNHPYPEICMNBI-AWEZNQCLSA-N -1 3 320.400 2.872 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(F)c(Cl)c2)n1 ZINC000826276423 608282389 /nfs/dbraw/zinc/28/23/89/608282389.db2.gz FZYFXDJEEZDKJK-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(F)c(Cl)c2)n1 ZINC000826276423 608282390 /nfs/dbraw/zinc/28/23/90/608282390.db2.gz FZYFXDJEEZDKJK-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCc3ccc(F)cc32)n1 ZINC000826275527 608285228 /nfs/dbraw/zinc/28/52/28/608285228.db2.gz BXNYZFAKINBRRI-CQSZACIVSA-N -1 3 310.336 2.809 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCc3ccc(F)cc32)n1 ZINC000826275527 608285229 /nfs/dbraw/zinc/28/52/29/608285229.db2.gz BXNYZFAKINBRRI-CQSZACIVSA-N -1 3 310.336 2.809 20 0 DFADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1ccn(-c2ccccc2)n1 ZINC000823861840 608287691 /nfs/dbraw/zinc/28/76/91/608287691.db2.gz RRBLCHMJQFSKPD-HJWRWDBZSA-N -1 3 315.340 2.618 20 0 DFADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1ccn(-c2ccccc2)n1 ZINC000823861840 608287692 /nfs/dbraw/zinc/28/76/92/608287692.db2.gz RRBLCHMJQFSKPD-HJWRWDBZSA-N -1 3 315.340 2.618 20 0 DFADHM COc1cc(CCNc2nc(C)ccc2-c2nnn[n-]2)ccc1C ZINC000826178661 608289558 /nfs/dbraw/zinc/28/95/58/608289558.db2.gz HFHDSGKZQDJFTC-UHFFFAOYSA-N -1 3 324.388 2.542 20 0 DFADHM COc1cc(CCNc2nc(C)ccc2-c2nn[n-]n2)ccc1C ZINC000826178661 608289560 /nfs/dbraw/zinc/28/95/60/608289560.db2.gz HFHDSGKZQDJFTC-UHFFFAOYSA-N -1 3 324.388 2.542 20 0 DFADHM C[C@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C[C@H]1C ZINC000824961854 608303393 /nfs/dbraw/zinc/30/33/93/608303393.db2.gz KBOMXULEJZLRID-NWDGAFQWSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C[C@H]1C ZINC000824961854 608303395 /nfs/dbraw/zinc/30/33/95/608303395.db2.gz KBOMXULEJZLRID-NWDGAFQWSA-N -1 3 308.389 2.897 20 0 DFADHM CCc1cccnc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825727846 608309225 /nfs/dbraw/zinc/30/92/25/608309225.db2.gz AMLFFVCFUNYNSS-LLVKDONJSA-N -1 3 323.356 2.742 20 0 DFADHM CCc1cccnc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825727846 608309227 /nfs/dbraw/zinc/30/92/27/608309227.db2.gz AMLFFVCFUNYNSS-LLVKDONJSA-N -1 3 323.356 2.742 20 0 DFADHM CCOCCCSCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825594653 608321999 /nfs/dbraw/zinc/32/19/99/608321999.db2.gz NPMUXVNKSTVRSB-UHFFFAOYSA-N -1 3 308.407 2.535 20 0 DFADHM CCOCCCSCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825594653 608322001 /nfs/dbraw/zinc/32/20/01/608322001.db2.gz NPMUXVNKSTVRSB-UHFFFAOYSA-N -1 3 308.407 2.535 20 0 DFADHM CS[C@@H](C)CCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826225930 608340944 /nfs/dbraw/zinc/34/09/44/608340944.db2.gz NSAJBAQEYBLLPE-VIFPVBQESA-N -1 3 323.397 2.500 20 0 DFADHM CS[C@@H](C)CCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826225930 608340946 /nfs/dbraw/zinc/34/09/46/608340946.db2.gz NSAJBAQEYBLLPE-VIFPVBQESA-N -1 3 323.397 2.500 20 0 DFADHM CCC[C@@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825232166 608348700 /nfs/dbraw/zinc/34/87/00/608348700.db2.gz DERFYRKJBRTKBQ-LLVKDONJSA-N -1 3 318.377 2.745 20 0 DFADHM CCC[C@@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825232166 608348701 /nfs/dbraw/zinc/34/87/01/608348701.db2.gz DERFYRKJBRTKBQ-LLVKDONJSA-N -1 3 318.377 2.745 20 0 DFADHM CCC/C(C)=C\C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825232153 608348852 /nfs/dbraw/zinc/34/88/52/608348852.db2.gz CYAASXPHGIBYDT-FLIBITNWSA-N -1 3 316.361 2.665 20 0 DFADHM CCC/C(C)=C\C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825232153 608348850 /nfs/dbraw/zinc/34/88/50/608348850.db2.gz CYAASXPHGIBYDT-FLIBITNWSA-N -1 3 316.361 2.665 20 0 DFADHM CCC(CC)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825106845 608362913 /nfs/dbraw/zinc/36/29/13/608362913.db2.gz JTSNQTQXQJHSTH-UHFFFAOYSA-N -1 3 318.377 2.745 20 0 DFADHM CCC(CC)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825106845 608362915 /nfs/dbraw/zinc/36/29/15/608362915.db2.gz JTSNQTQXQJHSTH-UHFFFAOYSA-N -1 3 318.377 2.745 20 0 DFADHM CCCc1nnc(SCc2cccc(-c3nnn[n-]3)c2F)o1 ZINC000825353451 608398760 /nfs/dbraw/zinc/39/87/60/608398760.db2.gz XHAOMLILDZDGPF-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM CCCc1nnc(SCc2cccc(-c3nn[n-]n3)c2F)o1 ZINC000825353451 608398762 /nfs/dbraw/zinc/39/87/62/608398762.db2.gz XHAOMLILDZDGPF-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000826145996 608417165 /nfs/dbraw/zinc/41/71/65/608417165.db2.gz OLYWRIKHFAWNGL-XHDPSFHLSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000826145996 608417166 /nfs/dbraw/zinc/41/71/66/608417166.db2.gz OLYWRIKHFAWNGL-XHDPSFHLSA-N -1 3 324.388 2.642 20 0 DFADHM CCCCn1ncc(NCc2cc(-c3nnn[n-]3)cs2)c1C ZINC000825302154 608427640 /nfs/dbraw/zinc/42/76/40/608427640.db2.gz XPCZLGJONIKIJQ-UHFFFAOYSA-N -1 3 317.422 2.845 20 0 DFADHM CCCCn1ncc(NCc2cc(-c3nn[n-]n3)cs2)c1C ZINC000825302154 608427642 /nfs/dbraw/zinc/42/76/42/608427642.db2.gz XPCZLGJONIKIJQ-UHFFFAOYSA-N -1 3 317.422 2.845 20 0 DFADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1Cl ZINC000820431131 608428698 /nfs/dbraw/zinc/42/86/98/608428698.db2.gz AWHDKLIFUSQMOB-VIFPVBQESA-N -1 3 303.753 2.964 20 0 DFADHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1Cl ZINC000820431131 608428699 /nfs/dbraw/zinc/42/86/99/608428699.db2.gz AWHDKLIFUSQMOB-VIFPVBQESA-N -1 3 303.753 2.964 20 0 DFADHM CCC[C@@H](C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825232640 608445770 /nfs/dbraw/zinc/44/57/70/608445770.db2.gz IXZUQYJHLFHORL-SNVBAGLBSA-N -1 3 306.341 2.875 20 0 DFADHM CCC[C@@H](C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825232640 608445772 /nfs/dbraw/zinc/44/57/72/608445772.db2.gz IXZUQYJHLFHORL-SNVBAGLBSA-N -1 3 306.341 2.875 20 0 DFADHM CCC/C=C/C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825260350 608485975 /nfs/dbraw/zinc/48/59/75/608485975.db2.gz OJQVUXZIMYIJCY-SNAWJCMRSA-N -1 3 323.400 2.839 20 0 DFADHM CCC/C=C/C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825260350 608485977 /nfs/dbraw/zinc/48/59/77/608485977.db2.gz OJQVUXZIMYIJCY-SNAWJCMRSA-N -1 3 323.400 2.839 20 0 DFADHM C[C@H](NCc1nc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824635033 608488852 /nfs/dbraw/zinc/48/88/52/608488852.db2.gz XYMKXHICFDWULQ-NSHDSACASA-N -1 3 320.356 2.859 20 0 DFADHM Cc1cn(Cc2cccc(OC(C)(C)C)n2)cc1-c1nnn[n-]1 ZINC000826317338 608528366 /nfs/dbraw/zinc/52/83/66/608528366.db2.gz YTVJWFPXQZTMNQ-UHFFFAOYSA-N -1 3 312.377 2.597 20 0 DFADHM Cc1cn(Cc2cccc(OC(C)(C)C)n2)cc1-c1nn[n-]n1 ZINC000826317338 608528367 /nfs/dbraw/zinc/52/83/67/608528367.db2.gz YTVJWFPXQZTMNQ-UHFFFAOYSA-N -1 3 312.377 2.597 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)nc1N(C)Cc1cccc(Cl)c1 ZINC000826280344 608540811 /nfs/dbraw/zinc/54/08/11/608540811.db2.gz YELVFFPWIBZMHJ-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM COc1ccc(CNc2ccc3c(c2)COC3)cc1-c1nnn[n-]1 ZINC000826204033 608542464 /nfs/dbraw/zinc/54/24/64/608542464.db2.gz UDTHZDRZWMEVHF-UHFFFAOYSA-N -1 3 323.356 2.518 20 0 DFADHM COc1ccc(CNc2ccc3c(c2)COC3)cc1-c1nn[n-]n1 ZINC000826204033 608542466 /nfs/dbraw/zinc/54/24/66/608542466.db2.gz UDTHZDRZWMEVHF-UHFFFAOYSA-N -1 3 323.356 2.518 20 0 DFADHM CCc1ccnc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825728247 608545899 /nfs/dbraw/zinc/54/58/99/608545899.db2.gz KVXRLJLZDMBWNC-NSHDSACASA-N -1 3 323.356 2.742 20 0 DFADHM CCc1ccnc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825728247 608545901 /nfs/dbraw/zinc/54/59/01/608545901.db2.gz KVXRLJLZDMBWNC-NSHDSACASA-N -1 3 323.356 2.742 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC(c2cccnc2)CC1 ZINC000826372413 608554187 /nfs/dbraw/zinc/55/41/87/608554187.db2.gz UYRGFZWADSNMAR-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM CC[C@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825195177 608571892 /nfs/dbraw/zinc/57/18/92/608571892.db2.gz UZMXUMDFLNCWRY-NSHDSACASA-N -1 3 319.796 2.925 20 0 DFADHM CC[C@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825195177 608571894 /nfs/dbraw/zinc/57/18/94/608571894.db2.gz UZMXUMDFLNCWRY-NSHDSACASA-N -1 3 319.796 2.925 20 0 DFADHM CO[C@@H]1[C@H](C)[C@@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)C1(C)C ZINC000826144903 608587894 /nfs/dbraw/zinc/58/78/94/608587894.db2.gz VHXUGYBNQLBJBS-KEMBBXRSSA-N -1 3 323.347 2.616 20 0 DFADHM CO[C@@H]1[C@H](C)[C@@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000826144903 608587895 /nfs/dbraw/zinc/58/78/95/608587895.db2.gz VHXUGYBNQLBJBS-KEMBBXRSSA-N -1 3 323.347 2.616 20 0 DFADHM CCOc1cccc([C@@H]2C[C@H]2Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000825648984 608588906 /nfs/dbraw/zinc/58/89/06/608588906.db2.gz ISDXRCCDNMZMIG-LSDHHAIUSA-N -1 3 322.372 2.628 20 0 DFADHM CCOc1cccc([C@@H]2C[C@H]2Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000825648984 608588908 /nfs/dbraw/zinc/58/89/08/608588908.db2.gz ISDXRCCDNMZMIG-LSDHHAIUSA-N -1 3 322.372 2.628 20 0 DFADHM CC1(C)CC[C@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000824802019 608599459 /nfs/dbraw/zinc/59/94/59/608599459.db2.gz JVNIMEJZYFLBBT-JTQLQIEISA-N -1 3 318.356 2.706 20 0 DFADHM CC1(C)CC[C@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000824802019 608599462 /nfs/dbraw/zinc/59/94/62/608599462.db2.gz JVNIMEJZYFLBBT-JTQLQIEISA-N -1 3 318.356 2.706 20 0 DFADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824938826 608607835 /nfs/dbraw/zinc/60/78/35/608607835.db2.gz WELGHDUMSUKRJN-VHSXEESVSA-N -1 3 318.356 2.658 20 0 DFADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824938826 608607838 /nfs/dbraw/zinc/60/78/38/608607838.db2.gz WELGHDUMSUKRJN-VHSXEESVSA-N -1 3 318.356 2.658 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CCC(C)(C)C2)cccc1-c1nnn[n-]1 ZINC000826241518 608609326 /nfs/dbraw/zinc/60/93/26/608609326.db2.gz GNUWIVSADIAPKR-NSHDSACASA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CCC(C)(C)C2)cccc1-c1nn[n-]n1 ZINC000826241518 608609329 /nfs/dbraw/zinc/60/93/29/608609329.db2.gz GNUWIVSADIAPKR-NSHDSACASA-N -1 3 314.393 2.875 20 0 DFADHM CN(Cc1ccc(F)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825965854 608644551 /nfs/dbraw/zinc/64/45/51/608644551.db2.gz GGRKGTAHKVULSG-UHFFFAOYSA-N -1 3 315.327 2.777 20 0 DFADHM CN(Cc1ccc(F)cc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825965854 608644552 /nfs/dbraw/zinc/64/45/52/608644552.db2.gz GGRKGTAHKVULSG-UHFFFAOYSA-N -1 3 315.327 2.777 20 0 DFADHM Cc1csc([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC000826320542 608663912 /nfs/dbraw/zinc/66/39/12/608663912.db2.gz UZJUWBIGJDPURB-NSHDSACASA-N -1 3 316.390 2.562 20 0 DFADHM Clc1ccc(CCNc2cnccc2-c2nn[n-]n2)s1 ZINC000826351894 608775426 /nfs/dbraw/zinc/77/54/26/608775426.db2.gz FXVSWDQYDKTCPC-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Clc1ccc(CCNc2cnccc2-c2nnn[n-]2)s1 ZINC000826351894 608775425 /nfs/dbraw/zinc/77/54/25/608775425.db2.gz FXVSWDQYDKTCPC-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM CCO[C@H](CCNc1cnccc1-c1nnn[n-]1)C1CCCC1 ZINC000825575926 608789154 /nfs/dbraw/zinc/78/91/54/608789154.db2.gz AEIFHTTYJJHNRT-OAHLLOKOSA-N -1 3 316.409 2.659 20 0 DFADHM CCO[C@H](CCNc1cnccc1-c1nn[n-]n1)C1CCCC1 ZINC000825575926 608789156 /nfs/dbraw/zinc/78/91/56/608789156.db2.gz AEIFHTTYJJHNRT-OAHLLOKOSA-N -1 3 316.409 2.659 20 0 DFADHM COc1ccc([C@@H](C)Nc2cnccc2-c2nnn[n-]2)cc1F ZINC000826189205 608789711 /nfs/dbraw/zinc/78/97/11/608789711.db2.gz PRFIDZFNFIDMEV-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM COc1ccc([C@@H](C)Nc2cnccc2-c2nn[n-]n2)cc1F ZINC000826189205 608789713 /nfs/dbraw/zinc/78/97/13/608789713.db2.gz PRFIDZFNFIDMEV-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM Fc1cc(CNc2ccc(-c3nn[n-]n3)cc2)cc(F)c1F ZINC000826372417 608866371 /nfs/dbraw/zinc/86/63/71/608866371.db2.gz VBHFRXUTCUFEDY-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ncc(C)s1 ZINC000825481351 609178240 /nfs/dbraw/zinc/17/82/40/609178240.db2.gz XOUHFQPMTNXQAC-UHFFFAOYSA-N -1 3 315.406 2.676 20 0 DFADHM C[C@H](Nc1cccc2c1OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824662030 609180290 /nfs/dbraw/zinc/18/02/90/609180290.db2.gz AQDKGLPOCNEICJ-NSHDSACASA-N -1 3 323.356 2.811 20 0 DFADHM C[C@H](Nc1cccc2c1OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824662030 609180292 /nfs/dbraw/zinc/18/02/92/609180292.db2.gz AQDKGLPOCNEICJ-NSHDSACASA-N -1 3 323.356 2.811 20 0 DFADHM C[C@@H](OC(=O)C(C)(Cl)Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000824706898 609233383 /nfs/dbraw/zinc/23/33/83/609233383.db2.gz LKSOVDPTRQQUQE-SSDOTTSWSA-N -1 3 315.160 2.665 20 0 DFADHM C[C@@H](OC(=O)C(C)(Cl)Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000824706898 609233385 /nfs/dbraw/zinc/23/33/85/609233385.db2.gz LKSOVDPTRQQUQE-SSDOTTSWSA-N -1 3 315.160 2.665 20 0 DFADHM O=C(OCc1ccc(CF)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826465228 609238064 /nfs/dbraw/zinc/23/80/64/609238064.db2.gz DTSLOYLYEYWDDZ-UHFFFAOYSA-N -1 3 312.304 2.693 20 0 DFADHM O=C(OCc1ccc(CF)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826465228 609238065 /nfs/dbraw/zinc/23/80/65/609238065.db2.gz DTSLOYLYEYWDDZ-UHFFFAOYSA-N -1 3 312.304 2.693 20 0 DFADHM Cc1nnc(SC/C(Cl)=C\Cl)c(-c2nnn[n-]2)c1C ZINC000826336848 609308750 /nfs/dbraw/zinc/30/87/50/609308750.db2.gz QJTBAVSLPFDGDK-XVNBXDOJSA-N -1 3 317.205 2.685 20 0 DFADHM Cc1nnc(SC/C(Cl)=C\Cl)c(-c2nn[n-]n2)c1C ZINC000826336848 609308752 /nfs/dbraw/zinc/30/87/52/609308752.db2.gz QJTBAVSLPFDGDK-XVNBXDOJSA-N -1 3 317.205 2.685 20 0 DFADHM Cc1cc2c(cc1NCc1ccccc1-c1nnn[n-]1)OCO2 ZINC000826273086 609278333 /nfs/dbraw/zinc/27/83/33/609278333.db2.gz OTCQUBVRNBORTA-UHFFFAOYSA-N -1 3 309.329 2.516 20 0 DFADHM Cc1cc2c(cc1NCc1ccccc1-c1nn[n-]n1)OCO2 ZINC000826273086 609278335 /nfs/dbraw/zinc/27/83/35/609278335.db2.gz OTCQUBVRNBORTA-UHFFFAOYSA-N -1 3 309.329 2.516 20 0 DFADHM Fc1ccc(NCc2ccc3c(c2)COC3)cc1-c1nnn[n-]1 ZINC000826375417 609311299 /nfs/dbraw/zinc/31/12/99/609311299.db2.gz MKDPYTWHAUFYGE-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM Fc1ccc(NCc2ccc3c(c2)COC3)cc1-c1nn[n-]n1 ZINC000826375417 609311301 /nfs/dbraw/zinc/31/13/01/609311301.db2.gz MKDPYTWHAUFYGE-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)COC2 ZINC000826187010 609311347 /nfs/dbraw/zinc/31/13/47/609311347.db2.gz VHKJCGBQJXSFHT-UHFFFAOYSA-N -1 3 323.356 2.518 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)COC2 ZINC000826187010 609311350 /nfs/dbraw/zinc/31/13/50/609311350.db2.gz VHKJCGBQJXSFHT-UHFFFAOYSA-N -1 3 323.356 2.518 20 0 DFADHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@@H]1F ZINC000824962109 609319306 /nfs/dbraw/zinc/31/93/06/609319306.db2.gz OGEVYRBWCPBAFA-MFKMUULPSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@@H]1F ZINC000824962109 609319308 /nfs/dbraw/zinc/31/93/08/609319308.db2.gz OGEVYRBWCPBAFA-MFKMUULPSA-N -1 3 312.352 2.599 20 0 DFADHM CN(C[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825908654 609323925 /nfs/dbraw/zinc/32/39/25/609323925.db2.gz KNEAWDHUICRTPW-IINYFYTJSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825908654 609323927 /nfs/dbraw/zinc/32/39/27/609323927.db2.gz KNEAWDHUICRTPW-IINYFYTJSA-N -1 3 321.812 2.507 20 0 DFADHM COCCC[C@@H](C)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826155669 609325785 /nfs/dbraw/zinc/32/57/85/609325785.db2.gz XWIIQZSQHVZIFC-VXGBXAGGSA-N -1 3 318.377 2.534 20 0 DFADHM COCCC[C@@H](C)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826155669 609325783 /nfs/dbraw/zinc/32/57/83/609325783.db2.gz XWIIQZSQHVZIFC-VXGBXAGGSA-N -1 3 318.377 2.534 20 0 DFADHM CN(C[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825909477 609325795 /nfs/dbraw/zinc/32/57/95/609325795.db2.gz YWCZLJQLFJWCKD-HZMBPMFUSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825909477 609325797 /nfs/dbraw/zinc/32/57/97/609325797.db2.gz YWCZLJQLFJWCKD-HZMBPMFUSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825909478 609326182 /nfs/dbraw/zinc/32/61/82/609326182.db2.gz YWCZLJQLFJWCKD-IINYFYTJSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825909478 609326184 /nfs/dbraw/zinc/32/61/84/609326184.db2.gz YWCZLJQLFJWCKD-IINYFYTJSA-N -1 3 321.812 2.507 20 0 DFADHM COCCC[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826155174 609331573 /nfs/dbraw/zinc/33/15/73/609331573.db2.gz IYHHERDOFDYRKQ-SECBINFHSA-N -1 3 323.784 2.521 20 0 DFADHM COCCC[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826155174 609331575 /nfs/dbraw/zinc/33/15/75/609331575.db2.gz IYHHERDOFDYRKQ-SECBINFHSA-N -1 3 323.784 2.521 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCC(C)(C)C1 ZINC000825958516 609372914 /nfs/dbraw/zinc/37/29/14/609372914.db2.gz ZANBBVZPVROKBA-AWEZNQCLSA-N -1 3 313.405 2.651 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCC(C)(C)C1 ZINC000825958516 609372918 /nfs/dbraw/zinc/37/29/18/609372918.db2.gz ZANBBVZPVROKBA-AWEZNQCLSA-N -1 3 313.405 2.651 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)cc1 ZINC000824019980 609420760 /nfs/dbraw/zinc/42/07/60/609420760.db2.gz WZLMUCMITIPFTP-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)cc1 ZINC000824019980 609420762 /nfs/dbraw/zinc/42/07/62/609420762.db2.gz WZLMUCMITIPFTP-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1NCCCCn1ccnc1 ZINC000826352629 609428280 /nfs/dbraw/zinc/42/82/80/609428280.db2.gz IHBFCQILGJUDQM-UHFFFAOYSA-N -1 3 317.784 2.609 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1NCCCCn1ccnc1 ZINC000826352629 609428282 /nfs/dbraw/zinc/42/82/82/609428282.db2.gz IHBFCQILGJUDQM-UHFFFAOYSA-N -1 3 317.784 2.609 20 0 DFADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000825825915 609444362 /nfs/dbraw/zinc/44/43/62/609444362.db2.gz NUQHPPHBVABILS-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC000825825915 609444363 /nfs/dbraw/zinc/44/43/63/609444363.db2.gz NUQHPPHBVABILS-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CC(C)CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824266186 609445160 /nfs/dbraw/zinc/44/51/60/609445160.db2.gz GEMGMSWXZDXMAR-UHFFFAOYSA-N -1 3 317.784 2.774 20 0 DFADHM CCOC(=O)[C@H](CC(C)C)Sc1ccccc1-c1nnn[n-]1 ZINC000825486714 609448418 /nfs/dbraw/zinc/44/84/18/609448418.db2.gz WUALWONZJPVVBP-ZDUSSCGKSA-N -1 3 320.418 2.937 20 0 DFADHM CCOC(=O)[C@H](CC(C)C)Sc1ccccc1-c1nn[n-]n1 ZINC000825486714 609448420 /nfs/dbraw/zinc/44/84/20/609448420.db2.gz WUALWONZJPVVBP-ZDUSSCGKSA-N -1 3 320.418 2.937 20 0 DFADHM CCc1c(C)sc(NC(=O)CC[C@@H](C)OC)c1-c1nnn[n-]1 ZINC000825687945 609457125 /nfs/dbraw/zinc/45/71/25/609457125.db2.gz OOGKCDNUISONFS-MRVPVSSYSA-N -1 3 323.422 2.553 20 0 DFADHM CCc1c(C)sc(NC(=O)CC[C@@H](C)OC)c1-c1nn[n-]n1 ZINC000825687945 609457127 /nfs/dbraw/zinc/45/71/27/609457127.db2.gz OOGKCDNUISONFS-MRVPVSSYSA-N -1 3 323.422 2.553 20 0 DFADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824925500 609468951 /nfs/dbraw/zinc/46/89/51/609468951.db2.gz DHPHTPWTLWHQHT-SCZZXKLOSA-N -1 3 305.769 2.895 20 0 DFADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824925500 609468948 /nfs/dbraw/zinc/46/89/48/609468948.db2.gz DHPHTPWTLWHQHT-SCZZXKLOSA-N -1 3 305.769 2.895 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cncs1 ZINC000824323759 609478168 /nfs/dbraw/zinc/47/81/68/609478168.db2.gz AZARMVCNTAFORO-UHFFFAOYSA-N -1 3 316.390 2.723 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cccc2c1OCO2 ZINC000826278567 609479226 /nfs/dbraw/zinc/47/92/26/609479226.db2.gz JGWQLYUJOSSGOW-UHFFFAOYSA-N -1 3 309.329 2.516 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cccc2c1OCO2 ZINC000826278567 609479228 /nfs/dbraw/zinc/47/92/28/609479228.db2.gz JGWQLYUJOSSGOW-UHFFFAOYSA-N -1 3 309.329 2.516 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nn(C)c2ccccc12 ZINC000826278662 609479289 /nfs/dbraw/zinc/47/92/89/609479289.db2.gz NIUPMLPCGDGBKF-UHFFFAOYSA-N -1 3 319.372 2.674 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nn(C)c2ccccc12 ZINC000826278662 609479292 /nfs/dbraw/zinc/47/92/92/609479292.db2.gz NIUPMLPCGDGBKF-UHFFFAOYSA-N -1 3 319.372 2.674 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)CCO2 ZINC000826278449 609479396 /nfs/dbraw/zinc/47/93/96/609479396.db2.gz CQLVDBSUKCTCJK-UHFFFAOYSA-N -1 3 307.357 2.722 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)CCO2 ZINC000826278449 609479399 /nfs/dbraw/zinc/47/93/99/609479399.db2.gz CQLVDBSUKCTCJK-UHFFFAOYSA-N -1 3 307.357 2.722 20 0 DFADHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)cc1O ZINC000826203277 609479530 /nfs/dbraw/zinc/47/95/30/609479530.db2.gz HKNVDJVPKQSPGS-UHFFFAOYSA-N -1 3 311.345 2.501 20 0 DFADHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)cc1O ZINC000826203277 609479532 /nfs/dbraw/zinc/47/95/32/609479532.db2.gz HKNVDJVPKQSPGS-UHFFFAOYSA-N -1 3 311.345 2.501 20 0 DFADHM Cc1nc(C)c(CNc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000826324616 609480639 /nfs/dbraw/zinc/48/06/39/609480639.db2.gz YCVCVYXXSLWKJR-UHFFFAOYSA-N -1 3 300.391 2.861 20 0 DFADHM Cc1nc(C)c(CNc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000826324616 609480641 /nfs/dbraw/zinc/48/06/41/609480641.db2.gz YCVCVYXXSLWKJR-UHFFFAOYSA-N -1 3 300.391 2.861 20 0 DFADHM Cc1c(NCc2nc3c(s2)CCC3)cccc1-c1nnn[n-]1 ZINC000826242946 609486523 /nfs/dbraw/zinc/48/65/23/609486523.db2.gz MZQVPWSKWFREDB-UHFFFAOYSA-N -1 3 312.402 2.732 20 0 DFADHM Cc1c(NCc2nc3c(s2)CCC3)cccc1-c1nn[n-]n1 ZINC000826242946 609486524 /nfs/dbraw/zinc/48/65/24/609486524.db2.gz MZQVPWSKWFREDB-UHFFFAOYSA-N -1 3 312.402 2.732 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C12CCC(CC1)C2 ZINC000826453416 609501039 /nfs/dbraw/zinc/50/10/39/609501039.db2.gz JXTGHSNGTFFACQ-UHFFFAOYSA-N -1 3 301.325 2.525 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C12CCC(CC1)C2 ZINC000826453416 609501041 /nfs/dbraw/zinc/50/10/41/609501041.db2.gz JXTGHSNGTFFACQ-UHFFFAOYSA-N -1 3 301.325 2.525 20 0 DFADHM CC(C)OCCCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824309423 609503616 /nfs/dbraw/zinc/50/36/16/609503616.db2.gz NZBDULGZYFPKBA-LBPRGKRZSA-N -1 3 318.377 2.676 20 0 DFADHM CC(C)OCCCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824309423 609503618 /nfs/dbraw/zinc/50/36/18/609503618.db2.gz NZBDULGZYFPKBA-LBPRGKRZSA-N -1 3 318.377 2.676 20 0 DFADHM C[C@H](NC(=O)C12CCC(CC1)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000824471474 609503831 /nfs/dbraw/zinc/50/38/31/609503831.db2.gz QWDISQCTEOEEDJ-DLGFLZQMSA-N -1 3 311.389 2.624 20 0 DFADHM C[C@H](NC(=O)C12CCC(CC1)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000824471474 609503833 /nfs/dbraw/zinc/50/38/33/609503833.db2.gz QWDISQCTEOEEDJ-DLGFLZQMSA-N -1 3 311.389 2.624 20 0 DFADHM Cc1c(NC(=O)c2cccnc2C2CC2)cccc1-c1nnn[n-]1 ZINC000826242122 609508257 /nfs/dbraw/zinc/50/82/57/609508257.db2.gz ARODOVSQYRMANU-UHFFFAOYSA-N -1 3 320.356 2.700 20 0 DFADHM Cc1c(NC(=O)c2cccnc2C2CC2)cccc1-c1nn[n-]n1 ZINC000826242122 609508259 /nfs/dbraw/zinc/50/82/59/609508259.db2.gz ARODOVSQYRMANU-UHFFFAOYSA-N -1 3 320.356 2.700 20 0 DFADHM C[C@@H]1CCC[C@H]1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824928107 609511837 /nfs/dbraw/zinc/51/18/37/609511837.db2.gz RDFWGLMVPBYMAX-BXKDBHETSA-N -1 3 320.780 3.000 20 0 DFADHM C[C@@H]1CCC[C@H]1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824928107 609511840 /nfs/dbraw/zinc/51/18/40/609511840.db2.gz RDFWGLMVPBYMAX-BXKDBHETSA-N -1 3 320.780 3.000 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCc1c(F)cccc1F ZINC000826176147 609513050 /nfs/dbraw/zinc/51/30/50/609513050.db2.gz DEQZQWZRIMKVLH-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCc1c(F)cccc1F ZINC000826176147 609513051 /nfs/dbraw/zinc/51/30/51/609513051.db2.gz DEQZQWZRIMKVLH-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM CC1(NC(=O)c2cccc(-c3nnn[n-]3)c2)CCC(F)(F)CC1 ZINC000824838725 609514377 /nfs/dbraw/zinc/51/43/77/609514377.db2.gz ULURBQRXKJBNBT-UHFFFAOYSA-N -1 3 321.331 2.565 20 0 DFADHM CC1(NC(=O)c2cccc(-c3nn[n-]n3)c2)CCC(F)(F)CC1 ZINC000824838725 609514379 /nfs/dbraw/zinc/51/43/79/609514379.db2.gz ULURBQRXKJBNBT-UHFFFAOYSA-N -1 3 321.331 2.565 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825050934 609521193 /nfs/dbraw/zinc/52/11/93/609521193.db2.gz LSYHMZALRFUSKY-VXGBXAGGSA-N -1 3 301.394 2.507 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825050934 609521194 /nfs/dbraw/zinc/52/11/94/609521194.db2.gz LSYHMZALRFUSKY-VXGBXAGGSA-N -1 3 301.394 2.507 20 0 DFADHM Cc1ccnc(N(C)Cc2ccc(Cl)s2)c1-c1nnn[n-]1 ZINC000826309093 609522756 /nfs/dbraw/zinc/52/27/56/609522756.db2.gz CRAADVLWNRYIQT-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ccnc(N(C)Cc2ccc(Cl)s2)c1-c1nn[n-]n1 ZINC000826309093 609522758 /nfs/dbraw/zinc/52/27/58/609522758.db2.gz CRAADVLWNRYIQT-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1=CCC1 ZINC000824255499 609522996 /nfs/dbraw/zinc/52/29/96/609522996.db2.gz LZOHYKDIFFGCGN-UHFFFAOYSA-N -1 3 311.389 2.572 20 0 DFADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1=CCC1 ZINC000824255499 609522997 /nfs/dbraw/zinc/52/29/97/609522997.db2.gz LZOHYKDIFFGCGN-UHFFFAOYSA-N -1 3 311.389 2.572 20 0 DFADHM COc1ccc([C@@H](C)N(C)c2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826188371 609527915 /nfs/dbraw/zinc/52/79/15/609527915.db2.gz VGCDQWVAUPUBRY-GFCCVEGCSA-N -1 3 324.388 2.776 20 0 DFADHM COc1ccc([C@@H](C)N(C)c2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826188371 609527916 /nfs/dbraw/zinc/52/79/16/609527916.db2.gz VGCDQWVAUPUBRY-GFCCVEGCSA-N -1 3 324.388 2.776 20 0 DFADHM Cc1cccc(C)c1OCCNc1nccc(C)c1-c1nnn[n-]1 ZINC000826296632 609535271 /nfs/dbraw/zinc/53/52/71/609535271.db2.gz DLPORONFYKSDLI-UHFFFAOYSA-N -1 3 324.388 2.678 20 0 DFADHM Cc1cccc(C)c1OCCNc1nccc(C)c1-c1nn[n-]n1 ZINC000826296632 609535272 /nfs/dbraw/zinc/53/52/72/609535272.db2.gz DLPORONFYKSDLI-UHFFFAOYSA-N -1 3 324.388 2.678 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@@H]2C2CC2)c1-c1nnn[n-]1 ZINC000826238144 609548422 /nfs/dbraw/zinc/54/84/22/609548422.db2.gz XLZLDZXAVNUJPC-LLVKDONJSA-N -1 3 304.785 2.602 20 0 DFADHM Cc1c(Cl)cnc(N2CCC[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC000826238144 609548424 /nfs/dbraw/zinc/54/84/24/609548424.db2.gz XLZLDZXAVNUJPC-LLVKDONJSA-N -1 3 304.785 2.602 20 0 DFADHM Cc1c(Cl)cnc(N2CCS[C@H](C)[C@@H]2C)c1-c1nnn[n-]1 ZINC000826239087 609557179 /nfs/dbraw/zinc/55/71/79/609557179.db2.gz XSNOLHQPYISXQN-DTWKUNHWSA-N -1 3 324.841 2.554 20 0 DFADHM Cc1c(Cl)cnc(N2CCS[C@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000826239087 609557181 /nfs/dbraw/zinc/55/71/81/609557181.db2.gz XSNOLHQPYISXQN-DTWKUNHWSA-N -1 3 324.841 2.554 20 0 DFADHM CS[C@H]1CC[C@H](Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000826227398 609561077 /nfs/dbraw/zinc/56/10/77/609561077.db2.gz QGTSFDOFGGHEDW-IUCAKERBSA-N -1 3 324.841 2.920 20 0 DFADHM CS[C@H]1CC[C@H](Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000826227398 609561079 /nfs/dbraw/zinc/56/10/79/609561079.db2.gz QGTSFDOFGGHEDW-IUCAKERBSA-N -1 3 324.841 2.920 20 0 DFADHM CCS[C@H]1CC[C@H](N(C)c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000825669173 609563311 /nfs/dbraw/zinc/56/33/11/609563311.db2.gz RPOBXJPDFHIYNG-RYUDHWBXSA-N -1 3 318.450 2.681 20 0 DFADHM CCS[C@H]1CC[C@H](N(C)c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000825669173 609563314 /nfs/dbraw/zinc/56/33/14/609563314.db2.gz RPOBXJPDFHIYNG-RYUDHWBXSA-N -1 3 318.450 2.681 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1c1nccc(C)c1-c1nnn[n-]1 ZINC000825234365 609577985 /nfs/dbraw/zinc/57/79/85/609577985.db2.gz ZDGWGQPLJKLIPS-DGCLKSJQSA-N -1 3 300.410 2.975 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1c1nccc(C)c1-c1nn[n-]n1 ZINC000825234365 609577987 /nfs/dbraw/zinc/57/79/87/609577987.db2.gz ZDGWGQPLJKLIPS-DGCLKSJQSA-N -1 3 300.410 2.975 20 0 DFADHM Cc1cccc(C)c1CCNc1nccc(C)c1-c1nnn[n-]1 ZINC000826296924 609579025 /nfs/dbraw/zinc/57/90/25/609579025.db2.gz ORVLXWUEJGDLSD-UHFFFAOYSA-N -1 3 308.389 2.842 20 0 DFADHM Cc1cccc(C)c1CCNc1nccc(C)c1-c1nn[n-]n1 ZINC000826296924 609579026 /nfs/dbraw/zinc/57/90/26/609579026.db2.gz ORVLXWUEJGDLSD-UHFFFAOYSA-N 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/nfs/dbraw/zinc/59/46/09/609594609.db2.gz GZZLSLFRJFAOGQ-JTQLQIEISA-N -1 3 304.785 2.708 20 0 DFADHM CN(C[C@H]1CC=CCC1)c1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000825908168 609594799 /nfs/dbraw/zinc/59/47/99/609594799.db2.gz FYTAQISEAYIZSB-LBPRGKRZSA-N -1 3 310.405 2.543 20 0 DFADHM CN(C[C@H]1CC=CCC1)c1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000825908168 609594802 /nfs/dbraw/zinc/59/48/02/609594802.db2.gz FYTAQISEAYIZSB-LBPRGKRZSA-N -1 3 310.405 2.543 20 0 DFADHM C[C@H]1CC(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C[C@H](C)C1 ZINC000824874670 609595081 /nfs/dbraw/zinc/59/50/81/609595081.db2.gz FQKPNWDMXXGXQU-NXEZZACHSA-N -1 3 318.352 2.984 20 0 DFADHM C[C@H]1CC(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C[C@H](C)C1 ZINC000824874670 609595082 /nfs/dbraw/zinc/59/50/82/609595082.db2.gz FQKPNWDMXXGXQU-NXEZZACHSA-N -1 3 318.352 2.984 20 0 DFADHM Cc1cnc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c(C)c1 ZINC000826318035 609599042 /nfs/dbraw/zinc/59/90/42/609599042.db2.gz STABOUBAGGHXDW-UHFFFAOYSA-N -1 3 323.356 2.544 20 0 DFADHM 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315.369 2.563 20 0 DFADHM O=S(=O)([N-]CCc1ccc2ccccc2c1)c1ccccn1 ZINC000130720597 398847409 /nfs/dbraw/zinc/84/74/09/398847409.db2.gz FXGRZDVKBAZLKV-UHFFFAOYSA-N -1 3 312.394 2.756 20 0 DFADHM COc1cncc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n1 ZINC000276666269 213033963 /nfs/dbraw/zinc/03/39/63/213033963.db2.gz DESSLSOVEUWNQG-UHFFFAOYSA-N -1 3 301.346 2.741 20 0 DFADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)cccc21)c1ccccn1 ZINC000131021389 398849024 /nfs/dbraw/zinc/84/90/24/398849024.db2.gz LVXRKYNEHIJBEX-LBPRGKRZSA-N -1 3 324.789 2.537 20 0 DFADHM CC(C)CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000131211879 398850287 /nfs/dbraw/zinc/85/02/87/398850287.db2.gz AVXMAOCBOBMYCG-OAHLLOKOSA-N -1 3 318.417 2.501 20 0 DFADHM Cc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)n1 ZINC000131295971 398850818 /nfs/dbraw/zinc/85/08/18/398850818.db2.gz SORSCAYYVFJRIL-UHFFFAOYSA-N -1 3 314.769 2.661 20 0 DFADHM CCCC[C@H](COC)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000076298815 398851437 /nfs/dbraw/zinc/85/14/37/398851437.db2.gz 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3 304.296 2.943 20 0 DFADHM O=C([N-]OC1CCCC1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000271750406 209180451 /nfs/dbraw/zinc/18/04/51/209180451.db2.gz KNGVZWMQWVACNK-KGLIPLIRSA-N -1 3 303.358 2.552 20 0 DFADHM CN(C[C@H]1CCOC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621902301 399115582 /nfs/dbraw/zinc/11/55/82/399115582.db2.gz BWUYUGROAWUUFE-SECBINFHSA-N -1 3 303.280 2.520 20 0 DFADHM COCc1noc([C@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000419442722 296141060 /nfs/dbraw/zinc/14/10/60/296141060.db2.gz ADEUYVZUCOATSV-QMMMGPOBSA-N -1 3 322.390 2.583 20 0 DFADHM O=c1cc(CSCCOCC(F)(F)F)nc(C2CC2)[n-]1 ZINC000419451093 296141251 /nfs/dbraw/zinc/14/12/51/296141251.db2.gz MOEVIVWQIKDWHL-UHFFFAOYSA-N -1 3 308.325 2.872 20 0 DFADHM COC(=O)c1cnc([N-]c2c(C)nn(-c3ccccc3)c2C)nc1 ZINC000339970690 284147582 /nfs/dbraw/zinc/14/75/82/284147582.db2.gz NIIXGZLTYCXZLM-UHFFFAOYSA-N -1 3 323.356 2.809 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](CO)CC1CCCCC1 ZINC000419468251 296141710 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ZINC000340330994 284176450 /nfs/dbraw/zinc/17/64/50/284176450.db2.gz NWCZWPYQKUXHQY-UHFFFAOYSA-N -1 3 305.721 2.789 20 0 DFADHM Cc1ccc(CN(CCN(C)C)C(=O)c2cc(F)ccc2[O-])o1 ZINC000094068078 193343442 /nfs/dbraw/zinc/34/34/42/193343442.db2.gz OCMBLBKTZXVBJU-UHFFFAOYSA-N -1 3 320.364 2.637 20 0 DFADHM C[C@H](C(=O)Nc1ccc(F)cc1[O-])N(C)Cc1ccccc1 ZINC000340328819 284175490 /nfs/dbraw/zinc/17/54/90/284175490.db2.gz DBHDUFVSIWFTCR-GFCCVEGCSA-N -1 3 302.349 2.990 20 0 DFADHM CCn1nc(CNC2(C(=O)[O-])CCCCC2)c2ccccc21 ZINC000340670695 284205236 /nfs/dbraw/zinc/20/52/36/284205236.db2.gz ARVFHEKKIFNRCK-UHFFFAOYSA-N -1 3 301.390 2.933 20 0 DFADHM COC[C@](C)(NCc1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000340672376 284206031 /nfs/dbraw/zinc/20/60/31/284206031.db2.gz ALGBDLYDUIJBTQ-ZDUSSCGKSA-N -1 3 323.723 2.521 20 0 DFADHM CCSCc1cc(C(=O)[N-]c2ncc(COC)s2)no1 ZINC000340809141 284213176 /nfs/dbraw/zinc/21/31/76/284213176.db2.gz OFWSWRZMNAQHAO-UHFFFAOYSA-N -1 3 313.404 2.783 20 0 DFADHM CC(C)[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CCO1 ZINC000621946073 399137528 /nfs/dbraw/zinc/13/75/28/399137528.db2.gz HPIYXAXEVPFJCU-ZDUSSCGKSA-N -1 3 317.307 2.908 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc(F)c[n-]c2=O)CCO1 ZINC000621946496 399137695 /nfs/dbraw/zinc/13/76/95/399137695.db2.gz RVBMEYSCWLGTDD-OCCSQVGLSA-N -1 3 310.369 2.640 20 0 DFADHM CCC[C@@]1(CO)CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000614047735 399140547 /nfs/dbraw/zinc/14/05/47/399140547.db2.gz DPRVWYSHVZILEY-INIZCTEOSA-N -1 3 309.431 2.881 20 0 DFADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(F)c[n-]c1=O ZINC000621947909 399138517 /nfs/dbraw/zinc/13/85/17/399138517.db2.gz KJAZKNIQZDIUEA-HTQZYQBOSA-N -1 3 306.259 2.729 20 0 DFADHM O=C(NCCOCC1CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621954652 399142085 /nfs/dbraw/zinc/14/20/85/399142085.db2.gz FKAMSKFATGPILX-UHFFFAOYSA-N -1 3 317.307 2.958 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1c1noc(C(C)(C)[N-]S(C)(=O)=O)n1 ZINC000341183495 284245362 /nfs/dbraw/zinc/24/53/62/284245362.db2.gz KHLJUXOHYBIDCP-MNOVXSKESA-N -1 3 315.439 2.538 20 0 DFADHM CC1(C)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC[C@H]1O ZINC000621965815 399147864 /nfs/dbraw/zinc/14/78/64/399147864.db2.gz FCQKMQMNLVALIT-GFCCVEGCSA-N -1 3 317.307 2.644 20 0 DFADHM CN(CC1(c2ccccc2)CC1)C(=O)c1cc(F)c[n-]c1=O ZINC000621965092 399146750 /nfs/dbraw/zinc/14/67/50/399146750.db2.gz CUOHSMBBFGCTEQ-UHFFFAOYSA-N -1 3 300.333 2.730 20 0 DFADHM CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000080434632 399146938 /nfs/dbraw/zinc/14/69/38/399146938.db2.gz LTTQSICDGKJWBQ-GFCCVEGCSA-N -1 3 306.406 2.550 20 0 DFADHM CCOc1ccc([C@H](COC)NCc2nc(C)ccc2[O-])cc1 ZINC000341227043 284252187 /nfs/dbraw/zinc/25/21/87/284252187.db2.gz LBPPIOPMPMLIQM-KRWDZBQOSA-N -1 3 316.401 2.972 20 0 DFADHM Cc1cc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)no1 ZINC000607190025 399151047 /nfs/dbraw/zinc/15/10/47/399151047.db2.gz XTVKANJOPWPPSU-UHFFFAOYSA-N -1 3 303.709 2.674 20 0 DFADHM COC(=O)c1oc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC000596012251 399148402 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O=S(=O)(CCc1ccccc1)[N-]c1ccc2c[nH]nc2c1 ZINC000074850185 426057866 /nfs/dbraw/zinc/05/78/66/426057866.db2.gz UQDGCHVTLQAJDQ-UHFFFAOYSA-N -1 3 301.371 2.547 20 0 DFADHM O=C(/C=C/c1ccccc1OC(F)F)[N-]O[C@@H]1CCCCO1 ZINC000162272766 426058973 /nfs/dbraw/zinc/05/89/73/426058973.db2.gz USCFQAIAQUIDTJ-MYSGNRETSA-N -1 3 313.300 2.876 20 0 DFADHM COc1cc(C)cc(CNC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000162325975 426060636 /nfs/dbraw/zinc/06/06/36/426060636.db2.gz PGWDJSDMCQUFDE-UHFFFAOYSA-N -1 3 322.364 2.775 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000112011457 426063651 /nfs/dbraw/zinc/06/36/51/426063651.db2.gz VXMSHEXKKKUUDK-LBPRGKRZSA-N -1 3 307.357 2.684 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000112011457 426063655 /nfs/dbraw/zinc/06/36/55/426063655.db2.gz VXMSHEXKKKUUDK-LBPRGKRZSA-N -1 3 307.357 2.684 20 0 DFADHM O=C([N-]c1nnc2n1CCCC2)c1cc(-c2ccccc2)no1 ZINC000162450149 426064933 /nfs/dbraw/zinc/06/49/33/426064933.db2.gz JJUFWHNFYORVSH-UHFFFAOYSA-N -1 3 309.329 2.522 20 0 DFADHM CC1(NC(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000162467695 426066480 /nfs/dbraw/zinc/06/64/80/426066480.db2.gz ARQXJXNFPCZPMI-UHFFFAOYSA-N -1 3 313.195 2.897 20 0 DFADHM O=C(CSc1ccccc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000127442641 426066551 /nfs/dbraw/zinc/06/65/51/426066551.db2.gz XVJHOWYDCHVPIR-UHFFFAOYSA-N -1 3 311.370 2.598 20 0 DFADHM O=C(CSc1ccccc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000127442641 426066554 /nfs/dbraw/zinc/06/65/54/426066554.db2.gz XVJHOWYDCHVPIR-UHFFFAOYSA-N -1 3 311.370 2.598 20 0 DFADHM O=C(CSc1ccccc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000127442641 426066557 /nfs/dbraw/zinc/06/65/57/426066557.db2.gz XVJHOWYDCHVPIR-UHFFFAOYSA-N -1 3 311.370 2.598 20 0 DFADHM COc1ccc(CCC(=O)[N-]OCCC(F)(F)F)cc1F ZINC000162673824 426072769 /nfs/dbraw/zinc/07/27/69/426072769.db2.gz CITUILSYECNAGP-UHFFFAOYSA-N -1 3 309.259 2.767 20 0 DFADHM CCOc1ccc(OCC[S@@](=O)c2ccc([O-])cc2)cc1 ZINC000108083520 426009395 /nfs/dbraw/zinc/00/93/95/426009395.db2.gz WCXZBLRISQPGHG-NRFANRHFSA-N -1 3 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ZINC000076307169 426106957 /nfs/dbraw/zinc/10/69/57/426106957.db2.gz RPEOFCKOLVVLEB-SNVBAGLBSA-N -1 3 301.795 2.736 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@H]2OCCC[C@H]2C1 ZINC000128236543 426108060 /nfs/dbraw/zinc/10/80/60/426108060.db2.gz KGQWGUIVZVRDMI-SWLSCSKDSA-N -1 3 309.793 2.616 20 0 DFADHM CC[C@H](C)CS(=O)(=O)[N-][C@H](COCC(C)C)c1ccco1 ZINC000113285995 426111673 /nfs/dbraw/zinc/11/16/73/426111673.db2.gz RUASBZMJNYDRBA-UONOGXRCSA-N -1 3 317.451 2.959 20 0 DFADHM CC1(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000128307865 426112002 /nfs/dbraw/zinc/11/20/02/426112002.db2.gz WTGNALULTZCOOQ-UHFFFAOYSA-N -1 3 313.405 2.843 20 0 DFADHM CC1(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000128307865 426112005 /nfs/dbraw/zinc/11/20/05/426112005.db2.gz WTGNALULTZCOOQ-UHFFFAOYSA-N -1 3 313.405 2.843 20 0 DFADHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1ccc(Cl)s1 ZINC000077179459 426121924 /nfs/dbraw/zinc/12/19/24/426121924.db2.gz VLEXMQBNLTYQBI-JTQLQIEISA-N -1 3 323.867 2.621 20 0 DFADHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000128827707 426134598 /nfs/dbraw/zinc/13/45/98/426134598.db2.gz QGAPYLGLBCWEDM-JTQLQIEISA-N -1 3 323.817 2.555 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H](C)C[C@@H](O)c2cccs2)c1 ZINC000162733215 426075516 /nfs/dbraw/zinc/07/55/16/426075516.db2.gz CLNMYNRUAYFBHF-QMTHXVAHSA-N -1 3 321.398 2.704 20 0 DFADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(OC)cc2[O-])C1(C)C ZINC000127667800 426079518 /nfs/dbraw/zinc/07/95/18/426079518.db2.gz MPMAFPIPCKPZKF-HUUCEWRRSA-N -1 3 307.390 2.676 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)NCCc3nccs3)c[n-]c12 ZINC000162850102 426080625 /nfs/dbraw/zinc/08/06/25/426080625.db2.gz GPANEMUOYMWPJO-UHFFFAOYSA-N -1 3 313.382 2.678 20 0 DFADHM COc1cc(C(=O)N(C2CC2)C2CCCC2)cc(OC)c1[O-] ZINC000162898895 426081778 /nfs/dbraw/zinc/08/17/78/426081778.db2.gz BGPNLAROHFWPGG-UHFFFAOYSA-N -1 3 305.374 2.957 20 0 DFADHM O=C(/C=C/c1cnc2ccccc2n1)[N-]OCCC(F)(F)F ZINC000162965509 426085231 /nfs/dbraw/zinc/08/52/31/426085231.db2.gz KPRLQHQLZKJMLM-AATRIKPKSA-N -1 3 311.263 2.643 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccccc32)c(F)c1 ZINC000171628544 426201291 /nfs/dbraw/zinc/20/12/91/426201291.db2.gz AKXKKOWBDDYBDS-CQSZACIVSA-N -1 3 321.373 2.936 20 0 DFADHM O=c1[n-]c(SCCCF)nc2c1cnn2-c1ccccc1 ZINC000134940123 426201296 /nfs/dbraw/zinc/20/12/96/426201296.db2.gz PZRWUSYKHIYMRT-UHFFFAOYSA-N -1 3 304.350 2.561 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1[O-] ZINC000116978547 426203462 /nfs/dbraw/zinc/20/34/62/426203462.db2.gz YCHZKLGVCHPIAA-PWSUYJOCSA-N -1 3 313.781 2.877 20 0 DFADHM CC(C)=CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000135053821 426204334 /nfs/dbraw/zinc/20/43/34/426204334.db2.gz QCKGIXFPTNXABR-UHFFFAOYSA-N -1 3 302.374 2.536 20 0 DFADHM CCN(Cc1cc(=O)oc2c(C)c([O-])ccc12)C[C@@H]1CCCO1 ZINC000114726611 426143311 /nfs/dbraw/zinc/14/33/11/426143311.db2.gz RYQDATAKPDDNPK-AWEZNQCLSA-N -1 3 317.385 2.808 20 0 DFADHM O=S(=O)([N-]CC1CC1)c1cc(Br)ccc1Cl ZINC000170787773 426150780 /nfs/dbraw/zinc/15/07/80/426150780.db2.gz RQHRKJMGVKGJSX-UHFFFAOYSA-N -1 3 324.627 2.791 20 0 DFADHM CCC(CC)CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000130269904 426153477 /nfs/dbraw/zinc/15/34/77/426153477.db2.gz VJRHILNMTPAJRL-UHFFFAOYSA-N -1 3 318.417 2.503 20 0 DFADHM CCO[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000170849617 426153928 /nfs/dbraw/zinc/15/39/28/426153928.db2.gz KRBIKLCDKRBNKT-SECBINFHSA-N -1 3 314.267 2.540 20 0 DFADHM CCO[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000170849617 426153929 /nfs/dbraw/zinc/15/39/29/426153929.db2.gz KRBIKLCDKRBNKT-SECBINFHSA-N -1 3 314.267 2.540 20 0 DFADHM COCc1csc([N-]C(=O)c2cc(-c3cccnc3)on2)n1 ZINC000115241034 426158294 /nfs/dbraw/zinc/15/82/94/426158294.db2.gz JZVGQMUCCCZELO-UHFFFAOYSA-N -1 3 316.342 2.592 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Cl)c(F)c2)n[n-]1 ZINC000130437047 426159409 /nfs/dbraw/zinc/15/94/09/426159409.db2.gz FHKGOARHIYFFHA-UHFFFAOYSA-N -1 3 319.727 2.855 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Cl)c(F)c2)[n-]n1 ZINC000130437047 426159412 /nfs/dbraw/zinc/15/94/12/426159412.db2.gz FHKGOARHIYFFHA-UHFFFAOYSA-N -1 3 319.727 2.855 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCS[C@H](C)C1)c2=O ZINC000170901397 426159726 /nfs/dbraw/zinc/15/97/26/426159726.db2.gz VSPQGYBNOLXUFF-SNVBAGLBSA-N -1 3 318.398 2.527 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000115454927 426164259 /nfs/dbraw/zinc/16/42/59/426164259.db2.gz KKTDYLBPBUBYIB-SWLSCSKDSA-N -1 3 306.369 2.976 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)c([O-])c1 ZINC000116056995 426177808 /nfs/dbraw/zinc/17/78/08/426177808.db2.gz YZRZNCQUIIMLAV-UONOGXRCSA-N -1 3 318.417 2.514 20 0 DFADHM COc1ccc([O-])c(C(=O)NC(C)(C)c2nc(C)cs2)c1 ZINC000116144279 426180512 /nfs/dbraw/zinc/18/05/12/426180512.db2.gz JCJABDSWRBCTOH-UHFFFAOYSA-N -1 3 306.387 2.831 20 0 DFADHM COC(=O)c1ccc(CSc2n[n-]c(-c3ccccn3)n2)o1 ZINC000117114287 426206243 /nfs/dbraw/zinc/20/62/43/426206243.db2.gz TVVUOLNIYKSHLS-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM CCc1nnc([C@H](C)Sc2n[n-]c(-c3ccccn3)n2)o1 ZINC000117113289 426206293 /nfs/dbraw/zinc/20/62/93/426206293.db2.gz YUDLKFNMCRWRPX-QMMMGPOBSA-N -1 3 302.363 2.665 20 0 DFADHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(C)c1F ZINC000134542657 426187177 /nfs/dbraw/zinc/18/71/77/426187177.db2.gz YXKHUOGLRVCOQX-UHFFFAOYSA-N -1 3 302.231 2.832 20 0 DFADHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(C)c1F ZINC000134542657 426187178 /nfs/dbraw/zinc/18/71/78/426187178.db2.gz YXKHUOGLRVCOQX-UHFFFAOYSA-N -1 3 302.231 2.832 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1F)c1cccs1 ZINC000116361241 426187419 /nfs/dbraw/zinc/18/74/19/426187419.db2.gz WZMPXIGVOKOYKF-LDYMZIIASA-N -1 3 315.366 2.861 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(OCC(C)C)nc2)on1 ZINC000116907523 426200072 /nfs/dbraw/zinc/20/00/72/426200072.db2.gz CSBDOPAIBJOHBQ-GFCCVEGCSA-N -1 3 318.377 2.852 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CC(C)C)sc1Br ZINC000081037299 426218986 /nfs/dbraw/zinc/21/89/86/426218986.db2.gz WODIKIYQCUIKND-UHFFFAOYSA-N -1 3 312.254 2.753 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc2cc(F)ccc2o1 ZINC000117763833 426222174 /nfs/dbraw/zinc/22/21/74/426222174.db2.gz AHAYWPWJGVZUKC-UHFFFAOYSA-N -1 3 314.198 2.961 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc2cc(F)ccc2o1 ZINC000117763833 426222177 /nfs/dbraw/zinc/22/21/77/426222177.db2.gz AHAYWPWJGVZUKC-UHFFFAOYSA-N -1 3 314.198 2.961 20 0 DFADHM C[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1cccs1 ZINC000135573662 426222292 /nfs/dbraw/zinc/22/22/92/426222292.db2.gz OKVMVFLHJZBIOY-JTQLQIEISA-N -1 3 313.386 2.594 20 0 DFADHM C[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1cccs1 ZINC000135573662 426222294 /nfs/dbraw/zinc/22/22/94/426222294.db2.gz OKVMVFLHJZBIOY-JTQLQIEISA-N -1 3 313.386 2.594 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(C)c1 ZINC000135570620 426222572 /nfs/dbraw/zinc/22/25/72/426222572.db2.gz OREKNQFCVPHXLC-UHFFFAOYSA-N -1 3 307.357 2.660 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(C)c1 ZINC000135570620 426222573 /nfs/dbraw/zinc/22/25/73/426222573.db2.gz OREKNQFCVPHXLC-UHFFFAOYSA-N -1 3 307.357 2.660 20 0 DFADHM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc2nn[n-]c21 ZINC000119261727 426273784 /nfs/dbraw/zinc/27/37/84/426273784.db2.gz VTIOAGVSOLBZPF-XJKSGUPXSA-N -1 3 322.368 2.608 20 0 DFADHM O=C(C[C@H]1CCOc2ccccc21)Nc1nnc(-c2ccco2)[n-]1 ZINC000117785733 426223121 /nfs/dbraw/zinc/22/31/21/426223121.db2.gz NYEQZHLBSLRWON-LLVKDONJSA-N -1 3 324.340 2.960 20 0 DFADHM O=C(C[C@H]1CCOc2ccccc21)Nc1nc(-c2ccco2)n[n-]1 ZINC000117785733 426223123 /nfs/dbraw/zinc/22/31/23/426223123.db2.gz NYEQZHLBSLRWON-LLVKDONJSA-N -1 3 324.340 2.960 20 0 DFADHM O=C(C[C@H]1CCOc2ccccc21)Nc1n[n-]c(-c2ccco2)n1 ZINC000117785733 426223124 /nfs/dbraw/zinc/22/31/24/426223124.db2.gz NYEQZHLBSLRWON-LLVKDONJSA-N -1 3 324.340 2.960 20 0 DFADHM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc2[n-]nnc21 ZINC000119261727 426273787 /nfs/dbraw/zinc/27/37/87/426273787.db2.gz VTIOAGVSOLBZPF-XJKSGUPXSA-N -1 3 322.368 2.608 20 0 DFADHM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc2n[n-]nc21 ZINC000119261727 426273788 /nfs/dbraw/zinc/27/37/88/426273788.db2.gz VTIOAGVSOLBZPF-XJKSGUPXSA-N -1 3 322.368 2.608 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC=C(c2cccs2)CC1 ZINC000117856427 426224377 /nfs/dbraw/zinc/22/43/77/426224377.db2.gz CBGRDQBGNVJWRA-UHFFFAOYSA-N -1 3 310.382 2.949 20 0 DFADHM COc1cccc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)c1[O-] ZINC000118274576 426231099 /nfs/dbraw/zinc/23/10/99/426231099.db2.gz AAWYJLHPADINOF-WBMJQRKESA-N -1 3 321.417 2.972 20 0 DFADHM Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(O)cc1[O-] ZINC000172877108 426231348 /nfs/dbraw/zinc/23/13/48/426231348.db2.gz MSQMCTQEEDCCFX-LBPRGKRZSA-N -1 3 301.342 2.604 20 0 DFADHM CCCCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000136036883 426233837 /nfs/dbraw/zinc/23/38/37/426233837.db2.gz HAYJHAYONGAJNP-UHFFFAOYSA-N -1 3 304.390 2.760 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCO[C@H]2CCCC[C@@H]21 ZINC000136189256 426236821 /nfs/dbraw/zinc/23/68/21/426236821.db2.gz ROMYLAATQAERIL-GJZGRUSLSA-N -1 3 309.793 2.758 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@H](OC)c2ccc(F)cc2)c1 ZINC000084406926 426237383 /nfs/dbraw/zinc/23/73/83/426237383.db2.gz PLNBMLPJLBBVNW-INIZCTEOSA-N -1 3 319.332 2.657 20 0 DFADHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccsc2)ccc1F ZINC000118677689 426241523 /nfs/dbraw/zinc/24/15/23/426241523.db2.gz HIVMEAYVNBYXKO-UHFFFAOYSA-N -1 3 314.363 2.511 20 0 DFADHM O=S(=O)([N-]Cc1ccc[nH]1)c1ccccc1C(F)(F)F ZINC000173519764 426242401 /nfs/dbraw/zinc/24/24/01/426242401.db2.gz RNDAPHSBVWISBK-UHFFFAOYSA-N -1 3 304.293 2.512 20 0 DFADHM O=C([N-]N1CCCCC1=O)c1ccc(F)cc1C(F)(F)F ZINC000136843008 426246936 /nfs/dbraw/zinc/24/69/36/426246936.db2.gz QOAVHRCOESTTMD-UHFFFAOYSA-N -1 3 304.243 2.502 20 0 DFADHM Cc1cnc(C[N-]S(=O)(=O)c2cc3ccccc3o2)s1 ZINC000084939017 426248284 /nfs/dbraw/zinc/24/82/84/426248284.db2.gz SOMJDGVMZUDUBJ-UHFFFAOYSA-N -1 3 308.384 2.676 20 0 DFADHM CCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[n-]1 ZINC000086170462 426255745 /nfs/dbraw/zinc/25/57/45/426255745.db2.gz AXRPYHQWKVQLLW-UHFFFAOYSA-N -1 3 320.201 2.648 20 0 DFADHM CCc1n[n-]c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000086170462 426255748 /nfs/dbraw/zinc/25/57/48/426255748.db2.gz AXRPYHQWKVQLLW-UHFFFAOYSA-N -1 3 320.201 2.648 20 0 DFADHM COc1cc(OC)c(N[C@H](C)C(=O)[N-]c2cc(C)no2)cc1F ZINC000086965657 426260585 /nfs/dbraw/zinc/26/05/85/426260585.db2.gz GJPRXCWEKLNURY-SECBINFHSA-N -1 3 323.324 2.578 20 0 DFADHM CCC1CCC(C[N-]S(=O)(=O)c2cncc(F)c2)CC1 ZINC000339166741 268772404 /nfs/dbraw/zinc/77/24/04/268772404.db2.gz DNGANYIEIHSHNZ-UHFFFAOYSA-N -1 3 300.399 2.715 20 0 DFADHM CCN(C)C(=O)c1cccc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174893618 426267082 /nfs/dbraw/zinc/26/70/82/426267082.db2.gz DPSKKUQFMOFEMH-UHFFFAOYSA-N -1 3 316.332 2.876 20 0 DFADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000119240224 426272222 /nfs/dbraw/zinc/27/22/22/426272222.db2.gz REBRYYURSOZBRQ-ZANVPECISA-N -1 3 323.817 2.555 20 0 DFADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000117374578 426212625 /nfs/dbraw/zinc/21/26/25/426212625.db2.gz BNNKKNDYGSNIDY-QWRGUYRKSA-N -1 3 321.414 2.917 20 0 DFADHM Cc1csc2[n-]c(CN(C)C(=O)c3ccccc3)nc(=O)c12 ZINC000117428411 426214555 /nfs/dbraw/zinc/21/45/55/426214555.db2.gz BMIQHJYRABUYPP-UHFFFAOYSA-N -1 3 313.382 2.565 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2c2nccs2)n1 ZINC000119433103 426288258 /nfs/dbraw/zinc/28/82/58/426288258.db2.gz CFTKUYGLOGPBMP-LBPRGKRZSA-N -1 3 304.419 2.928 20 0 DFADHM CCc1onc(C)c1[N-]C(=O)c1cc(OC)c(OC)cc1F ZINC000089400301 426288908 /nfs/dbraw/zinc/28/89/08/426288908.db2.gz YFVOUCUQEFKKDW-UHFFFAOYSA-N -1 3 308.309 2.954 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000119441100 426289143 /nfs/dbraw/zinc/28/91/43/426289143.db2.gz VFGXDDHNSDHLHR-GFCCVEGCSA-N -1 3 309.373 2.861 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000119441100 426289145 /nfs/dbraw/zinc/28/91/45/426289145.db2.gz VFGXDDHNSDHLHR-GFCCVEGCSA-N 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/nfs/dbraw/zinc/30/35/47/426303547.db2.gz MIUYBMZNJGRUQQ-SECBINFHSA-N -1 3 301.375 2.614 20 0 DFADHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccsc1 ZINC000119862837 426303550 /nfs/dbraw/zinc/30/35/50/426303550.db2.gz MIUYBMZNJGRUQQ-SECBINFHSA-N -1 3 301.375 2.614 20 0 DFADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000120229970 426308256 /nfs/dbraw/zinc/30/82/56/426308256.db2.gz ATMRWITXDDUPBK-UHFFFAOYSA-N -1 3 321.389 2.574 20 0 DFADHM Cc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1[O-] ZINC000120444070 426310879 /nfs/dbraw/zinc/31/08/79/426310879.db2.gz JRLNHUURSWYUTA-UHFFFAOYSA-N -1 3 310.397 2.659 20 0 DFADHM CSc1nsc([N-]C(=O)c2cc3c(s2)CCOC3)n1 ZINC000175532053 426311397 /nfs/dbraw/zinc/31/13/97/426311397.db2.gz YHCLTFAJVDMAHM-UHFFFAOYSA-N -1 3 313.429 2.647 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000175566022 426314139 /nfs/dbraw/zinc/31/41/39/426314139.db2.gz HKNXJUDWQLVLPP-VIFPVBQESA-N -1 3 319.361 2.572 20 0 DFADHM CCOc1ccc(CCC(=O)[N-]OCc2cccnc2)cc1 ZINC000152362960 426340628 /nfs/dbraw/zinc/34/06/28/426340628.db2.gz VTLFFIYSOGCRDI-UHFFFAOYSA-N -1 3 300.358 2.661 20 0 DFADHM C[C@H](Sc1ccccn1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000152272002 426335225 /nfs/dbraw/zinc/33/52/25/426335225.db2.gz MGZBRDPNLHZJKG-VIFPVBQESA-N -1 3 315.358 2.579 20 0 DFADHM C[C@H](Sc1ccccn1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000152272002 426335227 /nfs/dbraw/zinc/33/52/27/426335227.db2.gz MGZBRDPNLHZJKG-VIFPVBQESA-N -1 3 315.358 2.579 20 0 DFADHM C[C@H](Sc1ccccn1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000152272002 426335230 /nfs/dbraw/zinc/33/52/30/426335230.db2.gz MGZBRDPNLHZJKG-VIFPVBQESA-N -1 3 315.358 2.579 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1F)c1c(C)noc1C ZINC000119288391 426276215 /nfs/dbraw/zinc/27/62/15/426276215.db2.gz LLFIXQDZEOVOSM-LBPRGKRZSA-N -1 3 312.366 2.860 20 0 DFADHM CC(C)(C)OC(=O)N(CC(=O)Nc1ccccc1[O-])CC1CC1 ZINC000175084958 426277944 /nfs/dbraw/zinc/27/79/44/426277944.db2.gz MELTWWMHXMAGOI-UHFFFAOYSA-N -1 3 320.389 2.978 20 0 DFADHM CCO[N-]C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000175153181 426283620 /nfs/dbraw/zinc/28/36/20/426283620.db2.gz GOGYTAKMKOJOFE-YHWZYXNKSA-N -1 3 312.410 2.622 20 0 DFADHM CCC(=O)c1cccc(NC(=O)c2cnc3c(cnn3C)c2[O-])c1 ZINC000119395517 426285467 /nfs/dbraw/zinc/28/54/67/426285467.db2.gz WKBUXGWKKRQDBE-UHFFFAOYSA-N -1 3 324.340 2.519 20 0 DFADHM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000119394349 426285532 /nfs/dbraw/zinc/28/55/32/426285532.db2.gz FHMKRRBZXIHFCH-UONOGXRCSA-N -1 3 313.353 2.695 20 0 DFADHM Cc1ccc(C(=O)NCc2ccnc(-n3cccn3)c2)c([O-])c1C ZINC000122852300 426399056 /nfs/dbraw/zinc/39/90/56/426399056.db2.gz VKVBIGQVKFBNDC-UHFFFAOYSA-N -1 3 322.368 2.520 20 0 DFADHM CC(C)(O)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000175959222 426342264 /nfs/dbraw/zinc/34/22/64/426342264.db2.gz MFOCRPGKUQWLFO-UHFFFAOYSA-N -1 3 301.342 2.685 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000152394370 426342348 /nfs/dbraw/zinc/34/23/48/426342348.db2.gz DIPPMKFPUVDROH-HKUYNNGSSA-N -1 3 308.381 2.924 20 0 DFADHM COc1ccc(COCCNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000091724249 426343378 /nfs/dbraw/zinc/34/33/78/426343378.db2.gz LRTJSCGKIHPNNR-UHFFFAOYSA-N -1 3 315.369 2.656 20 0 DFADHM Cc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000091811068 426344965 /nfs/dbraw/zinc/34/49/65/426344965.db2.gz JZYDDQXNAVDAQJ-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM COc1ccc(C(=O)N2CCc3cc(F)ccc3C2)c([O-])c1 ZINC000092094949 426346865 /nfs/dbraw/zinc/34/68/65/426346865.db2.gz TXRZKCBMIBENMZ-UHFFFAOYSA-N -1 3 301.317 2.738 20 0 DFADHM C[C@@H](CNC(=O)c1c([O-])cccc1O)COCc1ccccc1 ZINC000092119845 426347033 /nfs/dbraw/zinc/34/70/33/426347033.db2.gz UXSWMBHHWRYVQO-ZDUSSCGKSA-N -1 3 315.369 2.681 20 0 DFADHM CO[C@H](CNC(=O)c1c([O-])cccc1O)c1cccc(Cl)c1 ZINC000092123424 426347793 /nfs/dbraw/zinc/34/77/93/426347793.db2.gz IIQIEZFLFNOTPF-CQSZACIVSA-N -1 3 321.760 2.869 20 0 DFADHM COc1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])c(C)n1 ZINC000092601981 426350752 /nfs/dbraw/zinc/35/07/52/426350752.db2.gz GRIGQUNHELCERP-UHFFFAOYSA-N -1 3 302.330 2.674 20 0 DFADHM C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccccc1[O-] ZINC000092604738 426351133 /nfs/dbraw/zinc/35/11/33/426351133.db2.gz FQRVQYNMFWQKFG-LLVKDONJSA-N -1 3 301.317 2.923 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000092759403 426351144 /nfs/dbraw/zinc/35/11/44/426351144.db2.gz CUVUYMCQVXGYHN-RDTXWAMCSA-N -1 3 303.402 2.722 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)CC(=O)c2ccco2)c1 ZINC000092600909 426351179 /nfs/dbraw/zinc/35/11/79/426351179.db2.gz JGEMBBZODBDMRX-NSHDSACASA-N -1 3 301.342 2.939 20 0 DFADHM O=C(CCCOc1cccc(F)c1)[N-]OCc1cccnc1 ZINC000152742664 426352037 /nfs/dbraw/zinc/35/20/37/426352037.db2.gz ZMRPIUWGDJNCDZ-UHFFFAOYSA-N -1 3 304.321 2.628 20 0 DFADHM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2ccccc2[O-])C1 ZINC000176123371 426353287 /nfs/dbraw/zinc/35/32/87/426353287.db2.gz HCQVXBLBPJPVBD-KRWDZBQOSA-N -1 3 320.389 2.978 20 0 DFADHM C[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])Cn1ccnc1 ZINC000094167067 426361600 /nfs/dbraw/zinc/36/16/00/426361600.db2.gz RRDJBYZWLGIQNB-ZDUSSCGKSA-N -1 3 309.369 2.808 20 0 DFADHM O=C([N-]O[C@H]1CCCCO1)c1c(F)cccc1Br ZINC000176323226 426369827 /nfs/dbraw/zinc/36/98/27/426369827.db2.gz GGHODHUTCRHLQG-JTQLQIEISA-N -1 3 318.142 2.776 20 0 DFADHM COc1ccccc1[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000153097924 426370590 /nfs/dbraw/zinc/37/05/90/426370590.db2.gz YPKHAIJGDHOTFT-LBPRGKRZSA-N -1 3 313.353 2.736 20 0 DFADHM CCc1cnc(CN(C)C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000176389957 426376782 /nfs/dbraw/zinc/37/67/82/426376782.db2.gz XNJHVTUEKOROCI-UHFFFAOYSA-N -1 3 323.393 2.892 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2CCCC2)c([O-])c1 ZINC000122528985 426380126 /nfs/dbraw/zinc/38/01/26/426380126.db2.gz ZDSWGSBKTVNYDA-OAHLLOKOSA-N -1 3 316.401 2.820 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](CC(C)C)C2)c1 ZINC000122976705 426406259 /nfs/dbraw/zinc/40/62/59/426406259.db2.gz WCTMBHLUSLMUFH-ZDUSSCGKSA-N -1 3 304.390 2.859 20 0 DFADHM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000122559702 426381698 /nfs/dbraw/zinc/38/16/98/426381698.db2.gz FUYUNVWCDMQUJG-KRWDZBQOSA-N -1 3 324.380 2.613 20 0 DFADHM CCCC[C@@H](NC(=O)NCC)C(=O)Nc1ccc(C)cc1[O-] ZINC000122580508 426383264 /nfs/dbraw/zinc/38/32/64/426383264.db2.gz SBLQIQKQZJPMIN-CYBMUJFWSA-N -1 3 307.394 2.517 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)CCOC(C)C)cc1OC(F)F ZINC000176469820 426385602 /nfs/dbraw/zinc/38/56/02/426385602.db2.gz HBVIIDTWUYBCQH-UHFFFAOYSA-N -1 3 323.361 2.763 20 0 DFADHM CCSc1cccc([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000176469778 426385831 /nfs/dbraw/zinc/38/58/31/426385831.db2.gz RXPXDCZLXLBKTO-UHFFFAOYSA-N -1 3 303.449 2.965 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](C)c1cccc(C)c1 ZINC000153454449 426385879 /nfs/dbraw/zinc/38/58/79/426385879.db2.gz JPANUFVWPMBBJJ-LLVKDONJSA-N -1 3 308.403 2.682 20 0 DFADHM CC[C@H](C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)on1 ZINC000153538184 426390565 /nfs/dbraw/zinc/39/05/65/426390565.db2.gz UMPNRYASNDDDSP-VIFPVBQESA-N -1 3 312.333 2.621 20 0 DFADHM CC[C@H](C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000153538184 426390567 /nfs/dbraw/zinc/39/05/67/426390567.db2.gz UMPNRYASNDDDSP-VIFPVBQESA-N -1 3 312.333 2.621 20 0 DFADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000176537195 426392420 /nfs/dbraw/zinc/39/24/20/426392420.db2.gz CPAKSYIZXCYPKA-DOMZBBRYSA-N -1 3 306.369 2.976 20 0 DFADHM CC(C)(C)C(=O)NCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153573647 426392489 /nfs/dbraw/zinc/39/24/89/426392489.db2.gz XITDNLBDWLFLFD-UHFFFAOYSA-N -1 3 312.797 2.927 20 0 DFADHM COc1cc(C(=O)[N-]c2cc(C)n(-c3cccc(F)c3)n2)on1 ZINC000153915351 426413503 /nfs/dbraw/zinc/41/35/03/426413503.db2.gz ZSRVPOVRNVMGEI-UHFFFAOYSA-N -1 3 316.292 2.569 20 0 DFADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000154036272 426421264 /nfs/dbraw/zinc/42/12/64/426421264.db2.gz GPFTWZWZPKVEHI-UHFFFAOYSA-N -1 3 304.415 2.857 20 0 DFADHM CC[C@](C)(NC(=O)c1ccc(OC)cc1[O-])c1nccs1 ZINC000154102103 426424591 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426491722 /nfs/dbraw/zinc/49/17/22/426491722.db2.gz GIPSRBCNOIUOLN-CYBMUJFWSA-N -1 3 310.369 2.630 20 0 DFADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000194768539 426492083 /nfs/dbraw/zinc/49/20/83/426492083.db2.gz HUEAALDGAOSXOP-QMTHXVAHSA-N -1 3 315.373 2.613 20 0 DFADHM [O-]c1cc(F)cc(CN2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000186200634 426493728 /nfs/dbraw/zinc/49/37/28/426493728.db2.gz VOEXDYSYRRKETG-QGZVFWFLSA-N -1 3 309.381 2.691 20 0 DFADHM CN(Cc1cc([O-])cc(F)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000186215270 426494618 /nfs/dbraw/zinc/49/46/18/426494618.db2.gz GLLZXRXGZNIMHX-KRWDZBQOSA-N -1 3 314.360 2.769 20 0 DFADHM COc1cc(NC(=O)c2ccc3n[n-]nc3c2)ccc1Cl ZINC000194878365 426494784 /nfs/dbraw/zinc/49/47/84/426494784.db2.gz UELPBNREHVALSW-UHFFFAOYSA-N -1 3 302.721 2.872 20 0 DFADHM Cn1ccnc1CC1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186220044 426494975 /nfs/dbraw/zinc/49/49/75/426494975.db2.gz QXIOMUHVEUDRKD-UHFFFAOYSA-N -1 3 303.381 2.720 20 0 DFADHM C[C@H]1CCN(C(=O)CSc2nncs2)c2c([O-])cccc21 ZINC000186268337 426498447 /nfs/dbraw/zinc/49/84/47/426498447.db2.gz ZTWARRFCAZZHHS-VIFPVBQESA-N -1 3 321.427 2.876 20 0 DFADHM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1ccc(O)cc1[O-] ZINC000177637973 426500582 /nfs/dbraw/zinc/50/05/82/426500582.db2.gz VVTOPBUDTUMQLL-GFCCVEGCSA-N -1 3 303.280 2.949 20 0 DFADHM Cc1cccc(C)c1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000177642631 426501187 /nfs/dbraw/zinc/50/11/87/426501187.db2.gz PYFNOSFDGUDQJE-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM C[C@H]1CCN(C(=O)CNC(=O)CC(C)(C)C)c2c([O-])cccc21 ZINC000186292028 426501466 /nfs/dbraw/zinc/50/14/66/426501466.db2.gz WTELNIWSLLPNRF-LBPRGKRZSA-N -1 3 318.417 2.785 20 0 DFADHM Cc1noc(CCCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)n1 ZINC000186316037 426505143 /nfs/dbraw/zinc/50/51/43/426505143.db2.gz BZCANLOFNHHJEH-LLVKDONJSA-N -1 3 315.373 2.947 20 0 DFADHM CSc1nnc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)[n-]1 ZINC000264538456 426570155 /nfs/dbraw/zinc/57/01/55/426570155.db2.gz 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3 317.345 2.742 20 0 DFADHM CCOc1ccc(OC)cc1NC(=O)[N-]OCc1cccnc1 ZINC000273424992 426662063 /nfs/dbraw/zinc/66/20/63/426662063.db2.gz TVVBTWNLDONEIG-UHFFFAOYSA-N -1 3 317.345 2.742 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]1O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000178601210 426662748 /nfs/dbraw/zinc/66/27/48/426662748.db2.gz LGXNXPAECZBTQM-SJLPKXTDSA-N -1 3 311.381 2.626 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000280848094 426669602 /nfs/dbraw/zinc/66/96/02/426669602.db2.gz CJDDINYFVFFYTP-JTQLQIEISA-N -1 3 307.337 2.848 20 0 DFADHM C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000273468679 426669869 /nfs/dbraw/zinc/66/98/69/426669869.db2.gz HUEGCOXSVDHSCM-WBMJQRKESA-N -1 3 303.402 2.647 20 0 DFADHM O=C(NC[C@H]1CCSC1)c1cc([O-])ccc1C(F)(F)F ZINC000280856493 426671037 /nfs/dbraw/zinc/67/10/37/426671037.db2.gz VLMPXRUCDSMLRZ-MRVPVSSYSA-N -1 3 305.321 2.894 20 0 DFADHM O=C([O-])[C@H]1CCN(CCOc2cc(Cl)ccc2Cl)C1 ZINC000178898403 426716458 /nfs/dbraw/zinc/71/64/58/426716458.db2.gz 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Cc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)co1 ZINC000188796880 426789193 /nfs/dbraw/zinc/78/91/93/426789193.db2.gz GQDCPHBNXQVJSO-UHFFFAOYSA-N -1 3 309.325 2.899 20 0 DFADHM O=C([N-]c1nncs1)c1c[nH]nc1-c1cc2ccccc2o1 ZINC000188469763 426755981 /nfs/dbraw/zinc/75/59/81/426755981.db2.gz SVUWMTYNUVJJHH-UHFFFAOYSA-N -1 3 311.326 2.927 20 0 DFADHM CO[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@@H](C)C1 ZINC000281756351 426758734 /nfs/dbraw/zinc/75/87/34/426758734.db2.gz KZZOOQVWXOZMER-JSGCOSHPSA-N -1 3 303.402 2.911 20 0 DFADHM CC(C)(C)CCS(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000290429597 426762593 /nfs/dbraw/zinc/76/25/93/426762593.db2.gz ARRBQAIJNNLJOG-UHFFFAOYSA-N -1 3 313.345 2.623 20 0 DFADHM C[C@H]1CN(C(=O)/C=C/c2cncc([O-])c2)C[C@@H](c2ccccc2)O1 ZINC000179454194 426789510 /nfs/dbraw/zinc/78/95/10/426789510.db2.gz GBKIPSYVTSNNFK-YMEIAPRGSA-N -1 3 324.380 2.789 20 0 DFADHM C[C@@H](CNC(=O)/C=C/c1cncc([O-])c1)Oc1cccc(F)c1 ZINC000179521479 426797763 /nfs/dbraw/zinc/79/77/63/426797763.db2.gz 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/nfs/dbraw/zinc/82/43/60/426824360.db2.gz ACTPZTOBBGPGNP-OAHLLOKOSA-N -1 3 312.369 2.914 20 0 DFADHM CCOCC(C)(C)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000290711592 426824838 /nfs/dbraw/zinc/82/48/38/426824838.db2.gz UJXMFNNQRTUJMT-UHFFFAOYSA-N -1 3 302.374 2.733 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1[O-] ZINC000282083585 426826220 /nfs/dbraw/zinc/82/62/20/426826220.db2.gz NNDFLILIJIAZEZ-BFYDXBDKSA-N -1 3 303.402 2.856 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2(Cc3ccccc3)CC2)c1 ZINC000274769236 426834322 /nfs/dbraw/zinc/83/43/22/426834322.db2.gz VYYYSVKFFSEWJC-UHFFFAOYSA-N -1 3 324.380 2.856 20 0 DFADHM O=S(=O)(Cc1ccc(F)cc1)[N-]c1ncccc1Cl ZINC000180198103 426844486 /nfs/dbraw/zinc/84/44/86/426844486.db2.gz PXZSESRHCNABCJ-UHFFFAOYSA-N -1 3 300.742 2.816 20 0 DFADHM COc1cc(C(=O)NCCCCCSC)cc(OC)c1[O-] ZINC000274822812 426844588 /nfs/dbraw/zinc/84/45/88/426844588.db2.gz HJTJKNJBOCEAMJ-UHFFFAOYSA-N -1 3 313.419 2.673 20 0 DFADHM C[C@H](C1CC1)n1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cn1 ZINC000189355681 426846163 /nfs/dbraw/zinc/84/61/63/426846163.db2.gz INNUSASAUSDBDX-LLVKDONJSA-N -1 3 322.368 2.948 20 0 DFADHM C[C@H](C1CC1)n1cc(NC(=O)c2cnc3ccccc3c2[O-])cn1 ZINC000189355681 426846170 /nfs/dbraw/zinc/84/61/70/426846170.db2.gz INNUSASAUSDBDX-LLVKDONJSA-N -1 3 322.368 2.948 20 0 DFADHM O=C(NCC1(CO)CC2(CCC2)C1)c1cc([O-])ccc1Cl ZINC000290833195 426849170 /nfs/dbraw/zinc/84/91/70/426849170.db2.gz IEBIRNBUGXAGSY-UHFFFAOYSA-N -1 3 309.793 2.718 20 0 DFADHM CCC[C@]1(C)CCCN(C(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000274558879 426791366 /nfs/dbraw/zinc/79/13/66/426791366.db2.gz YDQZPNNEXLDSCM-GOSISDBHSA-N -1 3 318.417 2.551 20 0 DFADHM CCc1noc(C)c1[N-]C(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC000188844328 426793555 /nfs/dbraw/zinc/79/35/55/426793555.db2.gz ACLKCPQNOQFFQH-UHFFFAOYSA-N -1 3 314.267 2.915 20 0 DFADHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cccc([O-])c2)C1 ZINC000281926162 426795624 /nfs/dbraw/zinc/79/56/24/426795624.db2.gz HELWELHQHMDIRD-VZEFYGNVSA-N -1 3 303.402 2.794 20 0 DFADHM O=C([O-])C1(NCc2cc(Cl)ccc2Br)CC1 ZINC000309455416 426916167 /nfs/dbraw/zinc/91/61/67/426916167.db2.gz PLOKCWAFIBTUBU-UHFFFAOYSA-N -1 3 304.571 2.809 20 0 DFADHM COc1ccc(CNCCSC)c(Br)c1[O-] ZINC000309855860 426918870 /nfs/dbraw/zinc/91/88/70/426918870.db2.gz KJTCYOOEWIKDEQ-UHFFFAOYSA-N -1 3 306.225 2.616 20 0 DFADHM C[C@H]1CN(Cc2ccccc2Br)CC[C@@H]1C(=O)[O-] ZINC000310704001 426920319 /nfs/dbraw/zinc/92/03/19/426920319.db2.gz BSUUFECVTMAFIZ-JQWIXIFHSA-N -1 3 312.207 2.992 20 0 DFADHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000275799104 426920559 /nfs/dbraw/zinc/92/05/59/426920559.db2.gz OMHALFRVEOTSDJ-UHFFFAOYSA-N -1 3 322.405 2.731 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CC[C@H](C)CC2)c([O-])c1 ZINC000247275491 426923154 /nfs/dbraw/zinc/92/31/54/426923154.db2.gz YOPWSYVVRLAQFM-MQMHXKEQSA-N -1 3 318.417 2.515 20 0 DFADHM C[C@@H]1CN(Cc2cc(Cl)cc3c2OCC3)CC[C@@H]1C(=O)[O-] ZINC000313853223 426924081 /nfs/dbraw/zinc/92/40/81/426924081.db2.gz MRMWYXYRWROZDR-YGRLFVJLSA-N -1 3 309.793 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20 0 DFADHM Cc1c(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)cnn1C ZINC000291907651 427023606 /nfs/dbraw/zinc/02/36/06/427023606.db2.gz LRSNMTGCJCQXLB-UHFFFAOYSA-N -1 3 317.773 2.630 20 0 DFADHM C[C@@H](OCCc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000295955467 427026593 /nfs/dbraw/zinc/02/65/93/427026593.db2.gz UTDVMBUWGUJLMP-CYBMUJFWSA-N -1 3 317.360 2.795 20 0 DFADHM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)[N-]OC2CCCC2)c1 ZINC000276287140 427028929 /nfs/dbraw/zinc/02/89/29/427028929.db2.gz QKHWXVKFQGALFM-UKRRQHHQSA-N -1 3 305.374 2.798 20 0 DFADHM CCc1cccc(C)c1NC(=O)CSc1n[n-]c(COC)n1 ZINC000268472921 427029009 /nfs/dbraw/zinc/02/90/09/427029009.db2.gz IPQKAUVWGRCZSJ-UHFFFAOYSA-N -1 3 320.418 2.553 20 0 DFADHM COCc1nc(S[C@@H](C)C(=O)c2cc(F)ccc2F)n[n-]1 ZINC000268480721 427030073 /nfs/dbraw/zinc/03/00/73/427030073.db2.gz KUYRVEVCRMOKEX-ZETCQYMHSA-N -1 3 313.329 2.593 20 0 DFADHM O=C1[C@H]([N-]c2nc3ccccc3o2)CCCN1c1cccnc1 ZINC000182237887 427034500 /nfs/dbraw/zinc/03/45/00/427034500.db2.gz 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/nfs/dbraw/zinc/07/22/30/427072230.db2.gz AENXOIHEFBBQPQ-CYBMUJFWSA-N -1 3 320.389 2.522 20 0 DFADHM C=Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1 ZINC000296106429 427077896 /nfs/dbraw/zinc/07/78/96/427077896.db2.gz RCZAHZNEDIDTNA-GFCCVEGCSA-N -1 3 305.321 2.949 20 0 DFADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCCO1 ZINC000296115425 427080162 /nfs/dbraw/zinc/08/01/62/427080162.db2.gz QGAVJUPDAILKCK-SNVBAGLBSA-N -1 3 300.152 2.581 20 0 DFADHM O=S(=O)([N-][C@H]1CCCc2c(O)cccc21)c1ccccc1F ZINC000190344204 427080538 /nfs/dbraw/zinc/08/05/38/427080538.db2.gz XGKCZQZSSVHKAN-AWEZNQCLSA-N -1 3 321.373 2.887 20 0 DFADHM Cn1[n-]c(CNC2(c3ccc(Cl)cc3)CCCCC2)nc1=O ZINC000329291433 427085696 /nfs/dbraw/zinc/08/56/96/427085696.db2.gz QVETVMBTNIXSJS-UHFFFAOYSA-N -1 3 320.824 2.711 20 0 DFADHM COc1ccc(CNCC(F)(F)F)c(Br)c1[O-] ZINC000276520330 427089880 /nfs/dbraw/zinc/08/98/80/427089880.db2.gz VDXGGWFFWNVKDG-UHFFFAOYSA-N -1 3 314.101 2.815 20 0 DFADHM CC1(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)CCCC1 ZINC000329350146 427097972 /nfs/dbraw/zinc/09/79/72/427097972.db2.gz DEJQWLHJIPTVSU-BDJLRTHQSA-N -1 3 307.394 2.591 20 0 DFADHM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(C)c1[O-] ZINC000249298850 427105064 /nfs/dbraw/zinc/10/50/64/427105064.db2.gz COEWTHXOSZMLEH-CFVMTHIKSA-N -1 3 317.385 2.647 20 0 DFADHM CCOc1cc(CN[C@@H]2CCCn3ncnc32)cc(Cl)c1[O-] ZINC000283955553 427105664 /nfs/dbraw/zinc/10/56/64/427105664.db2.gz IDWSSYUIWXNDDN-GFCCVEGCSA-N -1 3 322.796 2.661 20 0 DFADHM CCc1cc(C(=O)N(C)Cc2ccc(OC)c(O)c2)ccc1[O-] ZINC000292146719 427110062 /nfs/dbraw/zinc/11/00/62/427110062.db2.gz MILAADQXWHJLEN-UHFFFAOYSA-N -1 3 315.369 2.941 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)CCc1c(C)nc2cc(C)nn2c1C ZINC000292150140 427110430 /nfs/dbraw/zinc/11/04/30/427110430.db2.gz RXKPUJFCMFEJKM-NSHDSACASA-N -1 3 318.421 2.681 20 0 DFADHM CCCCOc1ccc(C(=O)N(C)Cc2cnccn2)c([O-])c1 ZINC000190452353 427113266 /nfs/dbraw/zinc/11/32/66/427113266.db2.gz LDJBIZOYUYGLCR-UHFFFAOYSA-N -1 3 315.373 2.633 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@H](C)C[C@@H](C)O)c([O-])c1 ZINC000190480077 427122605 /nfs/dbraw/zinc/12/26/05/427122605.db2.gz ZBWJEEBXYCNYDQ-QWHCGFSZSA-N -1 3 309.406 2.708 20 0 DFADHM COCc1ccc(C(=O)[N-]c2ncn(C3CCCCC3)n2)o1 ZINC000182683445 427125565 /nfs/dbraw/zinc/12/55/65/427125565.db2.gz QFQPYXWBPVERIT-UHFFFAOYSA-N -1 3 304.350 2.775 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)[n-]c(=O)n1 ZINC000268908664 427139850 /nfs/dbraw/zinc/13/98/50/427139850.db2.gz VDXBNYKDNBIQFQ-AWEZNQCLSA-N -1 3 301.321 2.607 20 0 DFADHM CC[C@H]1CC[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000249766127 427144223 /nfs/dbraw/zinc/14/42/23/427144223.db2.gz IMNIMXZTRYVTEI-NNUKFRKNSA-N -1 3 313.405 2.699 20 0 DFADHM CC[C@H]1CC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000249766127 427144229 /nfs/dbraw/zinc/14/42/29/427144229.db2.gz IMNIMXZTRYVTEI-NNUKFRKNSA-N -1 3 313.405 2.699 20 0 DFADHM Cc1ccc(-n2cc(CNCC(=O)[O-])c(C(C)(C)C)n2)cc1 ZINC000284160712 427146448 /nfs/dbraw/zinc/14/64/48/427146448.db2.gz 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271016381 /nfs/dbraw/zinc/01/63/81/271016381.db2.gz WPOSTCKIYVKAQD-LBPRGKRZSA-N -1 3 307.357 2.999 20 0 DFADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000121070833 271016385 /nfs/dbraw/zinc/01/63/85/271016385.db2.gz WPOSTCKIYVKAQD-LBPRGKRZSA-N -1 3 307.357 2.999 20 0 DFADHM CC(C)c1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cn1 ZINC000155341429 271052051 /nfs/dbraw/zinc/05/20/51/271052051.db2.gz OLTMPBPXZIWXBB-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cn1 ZINC000155341429 271052058 /nfs/dbraw/zinc/05/20/58/271052058.db2.gz OLTMPBPXZIWXBB-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cn1 ZINC000155341429 271052059 /nfs/dbraw/zinc/05/20/59/271052059.db2.gz OLTMPBPXZIWXBB-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000156357369 271058324 /nfs/dbraw/zinc/05/83/24/271058324.db2.gz LDMAQZDDNVOMRI-JTQLQIEISA-N -1 3 321.801 2.715 20 0 DFADHM 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ZINC000190725345 427169105 /nfs/dbraw/zinc/16/91/05/427169105.db2.gz QLFXTFPHSIFDBZ-CQSZACIVSA-N -1 3 315.344 2.973 20 0 DFADHM CN(CC1(c2ccccc2)CC1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000282652207 271333126 /nfs/dbraw/zinc/33/31/26/271333126.db2.gz FYRVTVFDCXWVFM-UHFFFAOYSA-N -1 3 324.359 2.901 20 0 DFADHM CN(CC1(c2ccccc2)CC1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000282652207 271333129 /nfs/dbraw/zinc/33/31/29/271333129.db2.gz FYRVTVFDCXWVFM-UHFFFAOYSA-N -1 3 324.359 2.901 20 0 DFADHM CN(CC1(c2ccccc2)CC1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000282652207 271333132 /nfs/dbraw/zinc/33/31/32/271333132.db2.gz FYRVTVFDCXWVFM-UHFFFAOYSA-N -1 3 324.359 2.901 20 0 DFADHM CCc1cc(C(=O)N[C@@H](CO)Cc2cccc(C)c2)ccc1[O-] ZINC000292961788 271346603 /nfs/dbraw/zinc/34/66/03/271346603.db2.gz QJMFBGZUEUHKDE-QGZVFWFLSA-N -1 3 313.397 2.596 20 0 DFADHM COc1cccc(CN[C@H](Cc2cccc(Cl)c2)C(=O)[O-])n1 ZINC000277339317 427170926 /nfs/dbraw/zinc/17/09/26/427170926.db2.gz OUYQALWTXWFVNH-CQSZACIVSA-N -1 3 320.776 2.529 20 0 DFADHM CCN(CC(C)(C)O)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000269385233 427184757 /nfs/dbraw/zinc/18/47/57/427184757.db2.gz ZJTJTADIRRPEEG-UHFFFAOYSA-N -1 3 320.364 2.621 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 ZINC000292516725 427191464 /nfs/dbraw/zinc/19/14/64/427191464.db2.gz DNYZNLZLXVINKZ-NEPJUHHUSA-N -1 3 323.393 2.759 20 0 DFADHM COc1ccccc1C[C@@H](CNCc1ccccc1F)C(=O)[O-] ZINC000277406548 427193342 /nfs/dbraw/zinc/19/33/42/427193342.db2.gz SFLPCPWURZJVGS-HNNXBMFYSA-N -1 3 317.360 2.867 20 0 DFADHM O=C(NCc1cc(Cl)cc2c1OCC2)c1ccc(O)cc1[O-] ZINC000183081067 427195799 /nfs/dbraw/zinc/19/57/99/427195799.db2.gz TXJJMACXMWFXPD-UHFFFAOYSA-N -1 3 319.744 2.616 20 0 DFADHM CSC1(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000190894839 427198917 /nfs/dbraw/zinc/19/89/17/427198917.db2.gz BXPKVDQHRWRGFW-UHFFFAOYSA-N -1 3 302.193 2.989 20 0 DFADHM Cc1c(NC([O-])=NOC(C)(C)CO)cccc1C(F)(F)F ZINC000296503629 427201906 /nfs/dbraw/zinc/20/19/06/427201906.db2.gz DESNXEHIEISLCE-UHFFFAOYSA-N -1 3 306.284 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/nfs/dbraw/zinc/45/31/85/427453185.db2.gz OARAZSIUOBWYOG-UHFFFAOYSA-N -1 3 322.361 2.592 20 0 DFADHM [O-]c1ccc(F)c(CNC[C@@H]2CCN(CC(F)(F)F)C2)c1F ZINC000293827932 427453128 /nfs/dbraw/zinc/45/31/28/427453128.db2.gz DQPPNNLDTPRDRK-VIFPVBQESA-N -1 3 324.293 2.644 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)c1 ZINC000293828951 427453920 /nfs/dbraw/zinc/45/39/20/427453920.db2.gz VPHLBDVAHPZHIG-GFCCVEGCSA-N -1 3 317.307 2.883 20 0 DFADHM Cc1ncc(-c2ccccc2)cc1NC([O-])=NOC(C)(C)CO ZINC000297791971 427455989 /nfs/dbraw/zinc/45/59/89/427455989.db2.gz ONJBGQPZOPVVOS-UHFFFAOYSA-N -1 3 315.373 2.881 20 0 DFADHM Cc1ncc(-c2ccccc2)cc1NC(=O)[N-]OC(C)(C)CO ZINC000297791971 427455999 /nfs/dbraw/zinc/45/59/99/427455999.db2.gz ONJBGQPZOPVVOS-UHFFFAOYSA-N -1 3 315.373 2.881 20 0 DFADHM CCN1CCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000271217612 427456136 /nfs/dbraw/zinc/45/61/36/427456136.db2.gz CDYCDQAKSXFEMF-UHFFFAOYSA-N -1 3 317.216 2.867 20 0 DFADHM CCc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c(C)n1 ZINC000184554281 427488062 /nfs/dbraw/zinc/48/80/62/427488062.db2.gz ZRENFSYIIBKNMO-UHFFFAOYSA-N -1 3 311.345 2.891 20 0 DFADHM CCc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c(C)n1 ZINC000184554281 427488067 /nfs/dbraw/zinc/48/80/67/427488067.db2.gz ZRENFSYIIBKNMO-UHFFFAOYSA-N -1 3 311.345 2.891 20 0 DFADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000338723820 427457397 /nfs/dbraw/zinc/45/73/97/427457397.db2.gz ASIZHYVMBXPNHP-ZJUUUORDSA-N -1 3 321.801 2.715 20 0 DFADHM Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(C)cc2[O-])n1 ZINC000286223819 427457761 /nfs/dbraw/zinc/45/77/61/427457761.db2.gz ARTVIIMRDPXLPX-ZDUSSCGKSA-N -1 3 301.346 2.759 20 0 DFADHM CCc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c(C)n1 ZINC000184554281 427488073 /nfs/dbraw/zinc/48/80/73/427488073.db2.gz ZRENFSYIIBKNMO-UHFFFAOYSA-N -1 3 311.345 2.891 20 0 DFADHM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184483930 427471623 /nfs/dbraw/zinc/47/16/23/427471623.db2.gz NWGMUYLLPGOGRW-YOEHRIQHSA-N -1 3 317.429 2.894 20 0 DFADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCO1 ZINC000271268118 427474237 /nfs/dbraw/zinc/47/42/37/427474237.db2.gz MXHWHJDETISXHA-NXEZZACHSA-N -1 3 321.801 2.573 20 0 DFADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CN(C)[C@H](C)C(=O)[O-] ZINC000263387680 427477550 /nfs/dbraw/zinc/47/75/50/427477550.db2.gz DKANFFLEABMCGQ-OAHLLOKOSA-N -1 3 315.417 2.762 20 0 DFADHM CCCCCN(C(=O)C(=O)[N-]c1cnns1)[C@H](C)CCC ZINC000192085086 427478096 /nfs/dbraw/zinc/47/80/96/427478096.db2.gz FTJLMVKQAMJVEK-LLVKDONJSA-N -1 3 312.439 2.684 20 0 DFADHM COc1ccc(CCC(=O)[N-]OC(C)C)cc1Br ZINC000293886586 427478484 /nfs/dbraw/zinc/47/84/84/427478484.db2.gz GBGHTZUPAVCDLE-UHFFFAOYSA-N -1 3 316.195 2.847 20 0 DFADHM Cc1cc(C(=O)N(Cc2ccco2)Cc2ccco2)[n-]c(=O)n1 ZINC000340642604 271742342 /nfs/dbraw/zinc/74/23/42/271742342.db2.gz OTQMAFIHIYVVIY-UHFFFAOYSA-N -1 3 313.313 2.519 20 0 DFADHM CC(C)c1cc(C(=O)N(C)[C@@H]2CCNC2=O)c([O-])c(C(C)C)c1 ZINC000340704265 271748466 /nfs/dbraw/zinc/74/84/66/271748466.db2.gz BGUJSAHXSFTTRG-OAHLLOKOSA-N -1 3 318.417 2.600 20 0 DFADHM O=C([O-])c1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000263446375 427488939 /nfs/dbraw/zinc/48/89/39/427488939.db2.gz YALWVZIKRYTDBS-CVEARBPZSA-N -1 3 301.386 2.918 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]Cc2c(C)noc2C)sc1Cl ZINC000191912573 427443200 /nfs/dbraw/zinc/44/32/00/427443200.db2.gz SSFXBEDCMUVLGX-UHFFFAOYSA-N -1 3 320.823 2.793 20 0 DFADHM CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)CCC1CC1 ZINC000271298403 427487653 /nfs/dbraw/zinc/48/76/53/427487653.db2.gz VFIKFBVTQJVJGG-UHFFFAOYSA-N -1 3 320.418 2.507 20 0 DFADHM CCOc1ccc(CN2CCC[C@H](C(=O)[O-])C2)cc1OCC ZINC000263449185 427493160 /nfs/dbraw/zinc/49/31/60/427493160.db2.gz YYWVWPUCUSEPAI-AWEZNQCLSA-N -1 3 307.390 2.781 20 0 DFADHM O=C(NCC[C@H]1CCOC1)c1cc([O-])ccc1C(F)(F)F ZINC000338801013 427498326 /nfs/dbraw/zinc/49/83/26/427498326.db2.gz GLIMOTRTKZKCRC-VIFPVBQESA-N -1 3 303.280 2.567 20 0 DFADHM Cc1cnc([C@H](C)NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)o1 ZINC000332082113 427503519 /nfs/dbraw/zinc/50/35/19/427503519.db2.gz AFNIQOYATINDDS-JTQLQIEISA-N -1 3 316.357 2.893 20 0 DFADHM CCC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000192226883 427506117 /nfs/dbraw/zinc/50/61/17/427506117.db2.gz CPUBNVSBOJHQGE-AWEZNQCLSA-N -1 3 318.417 2.549 20 0 DFADHM CCOC[C@H](NCc1cc(=O)oc2cc([O-])ccc12)C(C)C ZINC000286380491 427510316 /nfs/dbraw/zinc/51/03/16/427510316.db2.gz ZARCDDQMFCTGQC-HNNXBMFYSA-N -1 3 305.374 2.649 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC(C2CCCCC2)C1 ZINC000294014436 427520348 /nfs/dbraw/zinc/52/03/48/427520348.db2.gz DSYIAIPAWVMQAF-UHFFFAOYSA-N -1 3 302.353 2.749 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC(C2CCCCC2)C1 ZINC000294014436 427520354 /nfs/dbraw/zinc/52/03/54/427520354.db2.gz DSYIAIPAWVMQAF-UHFFFAOYSA-N -1 3 302.353 2.749 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC(C2CCCCC2)C1 ZINC000294014436 427520357 /nfs/dbraw/zinc/52/03/57/427520357.db2.gz DSYIAIPAWVMQAF-UHFFFAOYSA-N -1 3 302.353 2.749 20 0 DFADHM O=C([N-][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)C(F)F ZINC000279093743 427555358 /nfs/dbraw/zinc/55/53/58/427555358.db2.gz UDSSYOZHNWCAMM-MRVPVSSYSA-N -1 3 324.249 2.545 20 0 DFADHM CN(Cc1ccco1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000332180526 427535218 /nfs/dbraw/zinc/53/52/18/427535218.db2.gz RSJNHKDBAHWFGK-UHFFFAOYSA-N -1 3 301.342 2.971 20 0 DFADHM Cc1csc(C2(N[C@@H](C)c3nc(C)cc(=O)[n-]3)CCC2)n1 ZINC000279034436 427536542 /nfs/dbraw/zinc/53/65/42/427536542.db2.gz DYSHUTRSDKRJCN-NSHDSACASA-N -1 3 304.419 2.986 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000279083761 427552925 /nfs/dbraw/zinc/55/29/25/427552925.db2.gz MGAXUSPBZDLXRE-STQMWFEESA-N -1 3 321.421 2.605 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccc([C@H](C)O)cc1 ZINC000184862610 427554139 /nfs/dbraw/zinc/55/41/39/427554139.db2.gz HXBANENECJNXNM-LBPRGKRZSA-N -1 3 323.389 2.666 20 0 DFADHM Cc1nc(C(C)(C)NC(=O)c2ccc(C(C)C)cc2[O-])no1 ZINC000271309379 427490245 /nfs/dbraw/zinc/49/02/45/427490245.db2.gz SDSMKQFZOYADTA-UHFFFAOYSA-N -1 3 303.362 2.872 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@H](C)[C@H]1C)c2=O ZINC000332519266 427616918 /nfs/dbraw/zinc/61/69/18/427616918.db2.gz LJGJIHCKRKVVMC-NWDGAFQWSA-N -1 3 314.385 2.797 20 0 DFADHM C[C@@H]1C[C@@H](C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CCO1 ZINC000272064013 427619916 /nfs/dbraw/zinc/61/99/16/427619916.db2.gz NYHRJYTVMRJNKL-BDAKNGLRSA-N -1 3 322.315 2.504 20 0 DFADHM C[C@@H]1C[C@@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CCO1 ZINC000272064013 427619920 /nfs/dbraw/zinc/61/99/20/427619920.db2.gz NYHRJYTVMRJNKL-BDAKNGLRSA-N -1 3 322.315 2.504 20 0 DFADHM C[C@@H]1C[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCO1 ZINC000272064013 427619927 /nfs/dbraw/zinc/61/99/27/427619927.db2.gz NYHRJYTVMRJNKL-BDAKNGLRSA-N -1 3 322.315 2.504 20 0 DFADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2c1OCC(=O)N2 ZINC000339008739 427621464 /nfs/dbraw/zinc/62/14/64/427621464.db2.gz MTLIGOSRYFXSHZ-UHFFFAOYSA-N -1 3 318.716 2.629 20 0 DFADHM CCOc1nc2cc(C(=O)N(C(C)C)[C@@H]3CCOC3)ccc2[n-]1 ZINC000332252722 427557174 /nfs/dbraw/zinc/55/71/74/427557174.db2.gz SPBQXIWFOUROIK-CYBMUJFWSA-N -1 3 317.389 2.601 20 0 DFADHM CCOc1nc2ccc(C(=O)N(C(C)C)[C@@H]3CCOC3)cc2[n-]1 ZINC000332252722 427557182 /nfs/dbraw/zinc/55/71/82/427557182.db2.gz SPBQXIWFOUROIK-CYBMUJFWSA-N -1 3 317.389 2.601 20 0 DFADHM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1sccc1F ZINC000338942980 427577895 /nfs/dbraw/zinc/57/78/95/427577895.db2.gz HIFLTAAKQBLSOA-VIFPVBQESA-N -1 3 314.407 2.884 20 0 DFADHM CCc1nc(C)c(C[N-]C(=O)C(F)(F)c2ncccc2C)o1 ZINC000294191533 427580922 /nfs/dbraw/zinc/58/09/22/427580922.db2.gz XJMQVYVQLHSAAU-UHFFFAOYSA-N -1 3 309.316 2.657 20 0 DFADHM COc1ccc(Cl)c(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000332324871 427582382 /nfs/dbraw/zinc/58/23/82/427582382.db2.gz OEHYCPVTYQSEAC-SNVBAGLBSA-N -1 3 323.780 2.817 20 0 DFADHM C[C@@H](NC(=O)c1ccccc1[O-])[C@H]1OCCc2sccc21 ZINC000294196296 427582502 /nfs/dbraw/zinc/58/25/02/427582502.db2.gz NPNUGSBANUYHCD-MEBBXXQBSA-N -1 3 303.383 2.886 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@H]4CCC[C@@H]43)c[n-]c12 ZINC000341919523 271922243 /nfs/dbraw/zinc/92/22/43/271922243.db2.gz OALVEAMYPWESKE-YGRLFVJLSA-N -1 3 300.333 2.600 20 0 DFADHM C[C@@H](CC1CCCC1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000332353450 427590002 /nfs/dbraw/zinc/59/00/02/427590002.db2.gz VISJVDNOYUJUCJ-QMMMGPOBSA-N -1 3 304.316 2.656 20 0 DFADHM C[C@@H](CC1CCCC1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000332353450 427590007 /nfs/dbraw/zinc/59/00/07/427590007.db2.gz VISJVDNOYUJUCJ-QMMMGPOBSA-N -1 3 304.316 2.656 20 0 DFADHM C[C@@H](CC1CCCC1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000332353450 427590016 /nfs/dbraw/zinc/59/00/16/427590016.db2.gz VISJVDNOYUJUCJ-QMMMGPOBSA-N -1 3 304.316 2.656 20 0 DFADHM Cc1cccc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)c1[O-] ZINC000192718333 427594485 /nfs/dbraw/zinc/59/44/85/427594485.db2.gz YDKGQQGWDNHSBO-CYBMUJFWSA-N -1 3 310.353 2.556 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H]1c1cc[nH]n1 ZINC000279204177 427595858 /nfs/dbraw/zinc/59/58/58/427595858.db2.gz NDPCSFBKEOGTLS-MRXNPFEDSA-N -1 3 311.385 2.971 20 0 DFADHM CCc1ccc([C@@H](COC)N[C@@H](C)c2nc(C)cc(=O)[n-]2)o1 ZINC000192777753 427609030 /nfs/dbraw/zinc/60/90/30/427609030.db2.gz IINSTVFNYMAXFK-WCQYABFASA-N -1 3 305.378 2.684 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000333647329 427666299 /nfs/dbraw/zinc/66/62/99/427666299.db2.gz DHJLAYVZHCIJSH-LBPRGKRZSA-N -1 3 315.460 2.684 20 0 DFADHM C[C@H]1CCCN1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000185273194 427625759 /nfs/dbraw/zinc/62/57/59/427625759.db2.gz XSMKPURPPYMAIV-QMMMGPOBSA-N -1 3 324.324 2.568 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c1 ZINC000287519376 427627026 /nfs/dbraw/zinc/62/70/26/427627026.db2.gz TUDAFMFGLAEXRU-NSHDSACASA-N -1 3 303.424 2.556 20 0 DFADHM CC(C)c1cc(C(=O)NCc2nncn2C)c([O-])c(C(C)C)c1 ZINC000298505099 427632677 /nfs/dbraw/zinc/63/26/77/427632677.db2.gz ZSNPNEQSFJGZMO-UHFFFAOYSA-N -1 3 316.405 2.698 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccn2C)c1 ZINC000192919786 427634889 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Cc1c(NC(=O)c2ccc3n[n-]nc3c2)cnn1C1CCCC1 ZINC000192987740 427646874 /nfs/dbraw/zinc/64/68/74/427646874.db2.gz AFCWORNCEKFSLO-UHFFFAOYSA-N -1 3 310.361 2.830 20 0 DFADHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cncc(Cl)c2)C1 ZINC000339048915 427647277 /nfs/dbraw/zinc/64/72/77/427647277.db2.gz RRDHMSQGKGWLCJ-GHMZBOCLSA-N -1 3 302.827 2.840 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]Cc2oc3ccccc3c2C)s1 ZINC000339048820 427648012 /nfs/dbraw/zinc/64/80/12/427648012.db2.gz ZISLLTQJKANPKG-UHFFFAOYSA-N -1 3 322.411 2.985 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)c([O-])c1C ZINC000272145391 427649656 /nfs/dbraw/zinc/64/96/56/427649656.db2.gz FFUBEJZZZZAHLL-DZGCQCFKSA-N -1 3 301.386 2.983 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000272170096 427661116 /nfs/dbraw/zinc/66/11/16/427661116.db2.gz DCMSSNFVFAHWDR-OCCSQVGLSA-N -1 3 307.390 2.724 20 0 DFADHM Cc1nc([C@H]2CCCO2)sc1C(=O)Nc1ncccc1[O-] ZINC000342563882 272025920 /nfs/dbraw/zinc/02/59/20/272025920.db2.gz 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Cc1ncc(CNCc2ccc(OCC(C)C)cc2)c(=O)[n-]1 ZINC000344369171 272322454 /nfs/dbraw/zinc/32/24/54/272322454.db2.gz WKFYQODLWUNPTJ-UHFFFAOYSA-N -1 3 301.390 2.815 20 0 DFADHM COc1cc(C(=O)Nc2c(C)noc2C2CC2)cc(OC)c1[O-] ZINC000344386668 272325302 /nfs/dbraw/zinc/32/53/02/272325302.db2.gz LCUQCISMXIBJFZ-UHFFFAOYSA-N -1 3 318.329 2.836 20 0 DFADHM CC(C)COC[C@@H]([N-]S(=O)(=O)CCCCF)c1ccco1 ZINC000344438288 272331662 /nfs/dbraw/zinc/33/16/62/272331662.db2.gz GXBLLXAQUCWTQO-CYBMUJFWSA-N -1 3 321.414 2.662 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c1 ZINC000339120935 427684228 /nfs/dbraw/zinc/68/42/28/427684228.db2.gz PTHQZDIYSRQRCD-WDEREUQCSA-N -1 3 307.774 2.518 20 0 DFADHM O=S(=O)([N-][C@H]1CCC[C@H]1F)c1ccc(C(F)(F)F)s1 ZINC000339121982 427684336 /nfs/dbraw/zinc/68/43/36/427684336.db2.gz GVKZDNHTCHRBAD-RQJHMYQMSA-N -1 3 317.329 2.936 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2F)c(Cl)c1 ZINC000339121159 427684973 /nfs/dbraw/zinc/68/49/73/427684973.db2.gz 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ZINC000185972442 427737797 /nfs/dbraw/zinc/73/77/97/427737797.db2.gz KEZZRSNSVKUDAU-UHFFFAOYSA-N -1 3 303.366 2.894 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2[C@@H](C)CCC[C@@H]2C)c1 ZINC000334086715 427739212 /nfs/dbraw/zinc/73/92/12/427739212.db2.gz FCTSWDCYHRDTBM-QWRGUYRKSA-N -1 3 304.390 2.905 20 0 DFADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(C(F)(F)F)n[n-]1 ZINC000339245922 427739705 /nfs/dbraw/zinc/73/97/05/427739705.db2.gz IVYMGLRGDWMNPL-UHFFFAOYSA-N -1 3 312.207 2.528 20 0 DFADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(C(F)(F)F)[n-]n1 ZINC000339245922 427739707 /nfs/dbraw/zinc/73/97/07/427739707.db2.gz IVYMGLRGDWMNPL-UHFFFAOYSA-N -1 3 312.207 2.528 20 0 DFADHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000186013799 427740690 /nfs/dbraw/zinc/74/06/90/427740690.db2.gz BFWWZFPWQLOUDX-KBPBESRZSA-N -1 3 315.410 2.698 20 0 DFADHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000186013760 427741454 /nfs/dbraw/zinc/74/14/54/427741454.db2.gz BFWWZFPWQLOUDX-KGLIPLIRSA-N -1 3 315.410 2.698 20 0 DFADHM CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000186041842 427742357 /nfs/dbraw/zinc/74/23/57/427742357.db2.gz IFDCMYHSPKBMJR-HNNXBMFYSA-N -1 3 306.369 2.935 20 0 DFADHM COc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1F ZINC000339587871 427797339 /nfs/dbraw/zinc/79/73/39/427797339.db2.gz PGMXNXBWPVHCCQ-UHFFFAOYSA-N -1 3 312.304 2.872 20 0 DFADHM COc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1F ZINC000339587871 427797341 /nfs/dbraw/zinc/79/73/41/427797341.db2.gz PGMXNXBWPVHCCQ-UHFFFAOYSA-N -1 3 312.304 2.872 20 0 DFADHM Cc1cc(C)cc(CS(=O)(=O)[N-]c2ccc(N(C)C)cn2)c1 ZINC000337144095 427805546 /nfs/dbraw/zinc/80/55/46/427805546.db2.gz WFNSDMIVIHCRML-UHFFFAOYSA-N -1 3 319.430 2.706 20 0 DFADHM CO[C@@H]1C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1(C)C ZINC000345881500 272549602 /nfs/dbraw/zinc/54/96/02/272549602.db2.gz HTZACPATRCRZLM-LSDHHAIUSA-N -1 3 309.381 2.784 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2c[nH]nc2-c2ccccc2F)n1 ZINC000345927855 272553193 /nfs/dbraw/zinc/55/31/93/272553193.db2.gz 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CSc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@@H]3C[C@@H]3C)o2)n[n-]1 ZINC000337249591 427824175 /nfs/dbraw/zinc/82/41/75/427824175.db2.gz JMGHAXHMUXEFBX-QCLAVDOMSA-N -1 3 318.402 2.985 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2cccc([C@H](C)OC)c2)[n-]1 ZINC000339765037 427824631 /nfs/dbraw/zinc/82/46/31/427824631.db2.gz YPMQEDIOTHIDNQ-JTQLQIEISA-N -1 3 302.330 2.761 20 0 DFADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cncc(F)c1 ZINC000337285803 427831557 /nfs/dbraw/zinc/83/15/57/427831557.db2.gz LTTMDGXNYRIDIB-UHFFFAOYSA-N -1 3 318.732 2.955 20 0 DFADHM O=C(NCCNCc1cc([O-])cc(F)c1)c1ccc(Cl)cc1 ZINC000349631967 427834631 /nfs/dbraw/zinc/83/46/31/427834631.db2.gz PMFMZUBGXGORON-UHFFFAOYSA-N -1 3 322.767 2.704 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1cscn1 ZINC000345637582 427838210 /nfs/dbraw/zinc/83/82/10/427838210.db2.gz CCPFGSNGRUGYQJ-UHFFFAOYSA-N -1 3 308.378 2.669 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000345643079 427842227 /nfs/dbraw/zinc/84/22/27/427842227.db2.gz RLSIDCWKYIFKEO-VIFPVBQESA-N -1 3 301.717 2.959 20 0 DFADHM O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1nc[n-]n1 ZINC000359431173 427848526 /nfs/dbraw/zinc/84/85/26/427848526.db2.gz UUQPSIZQRPKLNM-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM Cn1cccc1C(=O)C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000349726416 427850882 /nfs/dbraw/zinc/85/08/82/427850882.db2.gz ZXSYQMKKAPVCHF-UHFFFAOYSA-N -1 3 300.358 2.850 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2OC(F)F)c1F ZINC000337340948 427852136 /nfs/dbraw/zinc/85/21/36/427852136.db2.gz PWJTWNJNHTXRNJ-VHSXEESVSA-N -1 3 323.336 2.573 20 0 DFADHM Cn1ncc2c1ncc(C(=O)NC(C)(C)CC(C)(C)C)c2[O-] ZINC000355694718 427852600 /nfs/dbraw/zinc/85/26/00/427852600.db2.gz GOPWQEBALRTXRO-UHFFFAOYSA-N -1 3 304.394 2.619 20 0 DFADHM O=C(Nc1ncccc1[O-])c1ccn(-c2ccc(Cl)cc2)n1 ZINC000339915109 427871705 /nfs/dbraw/zinc/87/17/05/427871705.db2.gz ZYBQUWIPLCEPLJ-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM Cc1ccc2c(CCNC(=O)c3ccc4n[n-]nc4c3)c[nH]c2c1 ZINC000355747929 427872637 /nfs/dbraw/zinc/87/26/37/427872637.db2.gz XEQGULJQFUEIDP-UHFFFAOYSA-N -1 3 319.368 2.720 20 0 DFADHM CC(C)(C)c1cccc(OCCNC(=O)c2csc(=O)[n-]2)c1 ZINC000349847410 427876971 /nfs/dbraw/zinc/87/69/71/427876971.db2.gz FTNCFLAALMJWFZ-UHFFFAOYSA-N -1 3 320.414 2.955 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)[C@H]1CCCOC1 ZINC000355760717 427880239 /nfs/dbraw/zinc/88/02/39/427880239.db2.gz OARTXKNQVPAYKF-ZJUUUORDSA-N -1 3 321.801 2.573 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)[C@@H]1CCCOC1 ZINC000355760683 427880383 /nfs/dbraw/zinc/88/03/83/427880383.db2.gz OARTXKNQVPAYKF-VHSXEESVSA-N -1 3 321.801 2.573 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCC3(CCOCC3)[C@H]2C)c1 ZINC000349857575 427882083 /nfs/dbraw/zinc/88/20/83/427882083.db2.gz MASCMNNJNBCDJB-CYBMUJFWSA-N -1 3 303.402 2.986 20 0 DFADHM C[C@@H]1C[C@@H]1CC(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000359514204 427883394 /nfs/dbraw/zinc/88/33/94/427883394.db2.gz WZDWDDAGSMHFCO-NXEZZACHSA-N -1 3 304.781 2.542 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N1C[C@@H]2CCC[C@@H]21 ZINC000340580071 427884893 /nfs/dbraw/zinc/88/48/93/427884893.db2.gz ZZPUQYZBUGJLTE-JQWIXIFHSA-N -1 3 310.191 2.708 20 0 DFADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNC1(C(=O)[O-])CCC1 ZINC000340682859 427926040 /nfs/dbraw/zinc/92/60/40/427926040.db2.gz PPVRQCNMHIVMKC-UHFFFAOYSA-N -1 3 319.792 2.931 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)c([O-])c1 ZINC000340595814 427895421 /nfs/dbraw/zinc/89/54/21/427895421.db2.gz RUZXOHSCCRQINN-UHFFFAOYSA-N -1 3 315.325 2.830 20 0 DFADHM Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2)[n-]c(=O)n1 ZINC000340632333 427909504 /nfs/dbraw/zinc/90/95/04/427909504.db2.gz DEVQSXZHCODHBD-UHFFFAOYSA-N -1 3 323.352 2.926 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccn1 ZINC000340058901 427914137 /nfs/dbraw/zinc/91/41/37/427914137.db2.gz SZPANWFWRXUJBA-MNOVXSKESA-N -1 3 322.352 2.729 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccn1 ZINC000340058900 427914775 /nfs/dbraw/zinc/91/47/75/427914775.db2.gz SZPANWFWRXUJBA-GHMZBOCLSA-N -1 3 322.352 2.729 20 0 DFADHM O=S(=O)([N-][C@H]1CCSc2ccc(F)cc21)c1ccccn1 ZINC000340080184 427921337 /nfs/dbraw/zinc/92/13/37/427921337.db2.gz WSDNJGHQGOPHNM-LBPRGKRZSA-N -1 3 324.402 2.736 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](CO)C1CCCC1 ZINC000359648373 427954935 /nfs/dbraw/zinc/95/49/35/427954935.db2.gz PNLMNRURTMLZAB-OAHLLOKOSA-N -1 3 309.381 2.521 20 0 DFADHM COc1cc(C)cc(-c2nc([C@H]3CCOC[C@@H]3C)no2)c1[O-] ZINC000350603376 427954939 /nfs/dbraw/zinc/95/49/39/427954939.db2.gz VETXMGOCWUUSLA-QWRGUYRKSA-N -1 3 304.346 2.899 20 0 DFADHM Cc1ccc([O-])c(NC(=O)Cc2coc(-c3cccs3)n2)n1 ZINC000345930391 427955111 /nfs/dbraw/zinc/95/51/11/427955111.db2.gz PVEIHGKYNPJAOT-UHFFFAOYSA-N -1 3 315.354 2.993 20 0 DFADHM Cc1ccc([O-])c(NC(=O)CCc2cc3ccccc3[nH]c2=O)n1 ZINC000345930321 427955504 /nfs/dbraw/zinc/95/55/04/427955504.db2.gz PNHOISAASOGREO-UHFFFAOYSA-N -1 3 323.352 2.921 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2cncn2-c2ccc(F)cc2)n1 ZINC000345931065 427955705 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CC1(C)[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@@H]2CCO[C@@H]21 ZINC000345973854 427970539 /nfs/dbraw/zinc/97/05/39/427970539.db2.gz UVPJIGQNMUXOGW-VUCTXSBTSA-N -1 3 321.392 2.784 20 0 DFADHM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337598456 427973801 /nfs/dbraw/zinc/97/38/01/427973801.db2.gz MCJDQDZCBDPSCR-SNVBAGLBSA-N -1 3 318.274 2.804 20 0 DFADHM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337598456 427973804 /nfs/dbraw/zinc/97/38/04/427973804.db2.gz MCJDQDZCBDPSCR-SNVBAGLBSA-N -1 3 318.274 2.804 20 0 DFADHM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337598456 427973805 /nfs/dbraw/zinc/97/38/05/427973805.db2.gz MCJDQDZCBDPSCR-SNVBAGLBSA-N -1 3 318.274 2.804 20 0 DFADHM Cc1ccc(-c2cc(-c3nc([C@H]4CCCOC4)no3)n[n-]2)o1 ZINC000350849952 427980424 /nfs/dbraw/zinc/98/04/24/427980424.db2.gz UMDGVVWXIJBOKP-JTQLQIEISA-N -1 3 300.318 2.922 20 0 DFADHM Cc1ccc(-c2cc(-c3nc([C@H]4CCCOC4)no3)[n-]n2)o1 ZINC000350849952 427980428 /nfs/dbraw/zinc/98/04/28/427980428.db2.gz UMDGVVWXIJBOKP-JTQLQIEISA-N -1 3 300.318 2.922 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCSC1 ZINC000340314335 427983942 /nfs/dbraw/zinc/98/39/42/427983942.db2.gz ZSLHRRTWEXTZLX-SSDOTTSWSA-N -1 3 302.193 2.846 20 0 DFADHM COc1ccc(Cl)cc1CC(=O)Nc1nc(C)ccc1[O-] ZINC000346005783 427984390 /nfs/dbraw/zinc/98/43/90/427984390.db2.gz ZEOBEGBIAALRLP-UHFFFAOYSA-N -1 3 306.749 2.939 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2ccnn2-c2ccccc2C)[n-]1 ZINC000340336521 427989406 /nfs/dbraw/zinc/98/94/06/427989406.db2.gz IZYUGVBSKSJISR-UHFFFAOYSA-N -1 3 324.340 2.548 20 0 DFADHM COC(=O)[C@@H](CNC(=O)c1cc([O-])ccc1Cl)CC(C)C ZINC000340690742 427928071 /nfs/dbraw/zinc/92/80/71/427928071.db2.gz RKFWRAXLFLXBKU-SNVBAGLBSA-N -1 3 313.781 2.611 20 0 DFADHM C[C@@H](O)C[C@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345847094 427928125 /nfs/dbraw/zinc/92/81/25/427928125.db2.gz AOWIJGSIQQRMKI-TZMCWYRMSA-N -1 3 309.381 2.616 20 0 DFADHM O=C([O-])[C@@]1(NCc2ccc(-c3ccccc3)cc2F)CCOC1 ZINC000340684849 427929059 /nfs/dbraw/zinc/92/90/59/427929059.db2.gz YJWSKPSWTWEORA-GOSISDBHSA-N -1 3 315.344 2.826 20 0 DFADHM O=C(NCCc1c[nH]c2ccccc12)c1cc(F)cc2nn[n-]c21 ZINC000337491779 427932500 /nfs/dbraw/zinc/93/25/00/427932500.db2.gz AGLWHSSNQSWCON-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(NCCc1c[nH]c2ccccc12)c1cc(F)cc2[n-]nnc21 ZINC000337491779 427932507 /nfs/dbraw/zinc/93/25/07/427932507.db2.gz AGLWHSSNQSWCON-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM O=C(NCCc1c[nH]c2ccccc12)c1cc(F)cc2n[n-]nc21 ZINC000337491779 427932511 /nfs/dbraw/zinc/93/25/11/427932511.db2.gz AGLWHSSNQSWCON-UHFFFAOYSA-N -1 3 323.331 2.551 20 0 DFADHM c1ccc(-c2n[n-]nc2-c2nc(Cc3ccncc3)no2)cc1 ZINC000345862935 427934558 /nfs/dbraw/zinc/93/45/58/427934558.db2.gz RCKSTGCBTBODIO-UHFFFAOYSA-N -1 3 304.313 2.508 20 0 DFADHM CCN(C(=O)c1cc(F)cc2[n-]nnc21)c1cccc(OC)c1 ZINC000337497396 427934722 /nfs/dbraw/zinc/93/47/22/427934722.db2.gz GVSFESPSVKSXAH-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM CCN(C(=O)c1cc(F)cc2nn[n-]c21)c1cccc(OC)c1 ZINC000337497396 427934725 /nfs/dbraw/zinc/93/47/25/427934725.db2.gz GVSFESPSVKSXAH-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM CCN(C(=O)c1cc(F)cc2n[n-]nc21)c1cccc(OC)c1 ZINC000337497396 427934731 /nfs/dbraw/zinc/93/47/31/427934731.db2.gz GVSFESPSVKSXAH-UHFFFAOYSA-N -1 3 314.320 2.772 20 0 DFADHM O=C(NCc1c(F)cccc1Cl)c1cc(F)cc2nn[n-]c21 ZINC000337500293 427934871 /nfs/dbraw/zinc/93/48/71/427934871.db2.gz JRLYZHKBNSJGFP-UHFFFAOYSA-N -1 3 322.702 2.820 20 0 DFADHM O=C(NCc1c(F)cccc1Cl)c1cc(F)cc2[n-]nnc21 ZINC000337500293 427934875 /nfs/dbraw/zinc/93/48/75/427934875.db2.gz JRLYZHKBNSJGFP-UHFFFAOYSA-N -1 3 322.702 2.820 20 0 DFADHM O=C(NCc1c(F)cccc1Cl)c1cc(F)cc2n[n-]nc21 ZINC000337500293 427934881 /nfs/dbraw/zinc/93/48/81/427934881.db2.gz JRLYZHKBNSJGFP-UHFFFAOYSA-N -1 3 322.702 2.820 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]2COCC[C@H]21 ZINC000345878372 427938935 /nfs/dbraw/zinc/93/89/35/427938935.db2.gz GRQBTUUUMLADJS-GDBMZVCRSA-N -1 3 321.392 2.882 20 0 DFADHM COc1cc(NC(=O)c2ccc3n[n-]nc3c2)c(C)c(OC)c1 ZINC000337516098 427939093 /nfs/dbraw/zinc/93/90/93/427939093.db2.gz QENIIUCKMCVXFO-UHFFFAOYSA-N -1 3 312.329 2.536 20 0 DFADHM COC(=O)c1ccc(-c2nc(-c3c(C)nsc3C)no2)[n-]1 ZINC000350554740 427943938 /nfs/dbraw/zinc/94/39/38/427943938.db2.gz YBGVWIAMKFWOIC-UHFFFAOYSA-N -1 3 304.331 2.592 20 0 DFADHM COc1cc(-c2nc([C@](C)(OC)C3CC3)no2)cc(OC)c1[O-] ZINC000350567007 427946040 /nfs/dbraw/zinc/94/60/40/427946040.db2.gz KZDUQPMXFAPGJW-MRXNPFEDSA-N -1 3 320.345 2.731 20 0 DFADHM CN1C[C@H](c2noc(-c3cc4ccccc4cc3[O-])n2)CC1=O ZINC000350569882 427947534 /nfs/dbraw/zinc/94/75/34/427947534.db2.gz UKOGEMCZIKPUQL-GFCCVEGCSA-N -1 3 309.325 2.541 20 0 DFADHM O=C(NCc1ncccc1[O-])Nc1cccc(-n2cccc2)c1 ZINC000347269592 272762131 /nfs/dbraw/zinc/76/21/31/272762131.db2.gz QXHBNFITQYMMPB-UHFFFAOYSA-N -1 3 308.341 2.900 20 0 DFADHM [O-]c1ccc(-c2noc([C@H]3CCCc4nccn43)n2)c(F)c1 ZINC000350569533 427948183 /nfs/dbraw/zinc/94/81/83/427948183.db2.gz SGVAZPBAORXHIE-GFCCVEGCSA-N -1 3 300.293 2.704 20 0 DFADHM COc1cc(-c2noc(-c3cccc(OC)c3[O-])n2)cc(C)n1 ZINC000350585616 427949738 /nfs/dbraw/zinc/94/97/38/427949738.db2.gz UGKURGQICXNSNW-UHFFFAOYSA-N -1 3 313.313 2.830 20 0 DFADHM CCOc1cc(-c2noc([C@H]3CCOC[C@H]3C)n2)ccc1[O-] ZINC000350585202 427951412 /nfs/dbraw/zinc/95/14/12/427951412.db2.gz AXFBNVMQBPILRM-PWSUYJOCSA-N -1 3 304.346 2.981 20 0 DFADHM O=C(NCC(F)(F)c1ccccc1)c1cc(F)cc2nn[n-]c21 ZINC000337546511 427953647 /nfs/dbraw/zinc/95/36/47/427953647.db2.gz DFGOQHBNPKEZHV-UHFFFAOYSA-N -1 3 320.274 2.619 20 0 DFADHM O=C(NCC(F)(F)c1ccccc1)c1cc(F)cc2[n-]nnc21 ZINC000337546511 427953653 /nfs/dbraw/zinc/95/36/53/427953653.db2.gz DFGOQHBNPKEZHV-UHFFFAOYSA-N -1 3 320.274 2.619 20 0 DFADHM O=C(NCC(F)(F)c1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000337546511 427953660 /nfs/dbraw/zinc/95/36/60/427953660.db2.gz DFGOQHBNPKEZHV-UHFFFAOYSA-N -1 3 320.274 2.619 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2noc(C)n2)c([O-])c1 ZINC000376957920 428030287 /nfs/dbraw/zinc/03/02/87/428030287.db2.gz ZAPGISJTBAZBIV-CYBMUJFWSA-N -1 3 301.346 2.623 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@]12CCOc1ccccc12)c1cccs1 ZINC000369678750 428034718 /nfs/dbraw/zinc/03/47/18/428034718.db2.gz RIGORCJULFMMAW-ZFWWWQNUSA-N -1 3 321.423 2.519 20 0 DFADHM CCCCc1ccc([C@@H](NCc2nc(=O)n(C)[n-]2)C(C)C)cc1 ZINC000347479740 272795401 /nfs/dbraw/zinc/79/54/01/272795401.db2.gz GODCWCJNTAJAKY-KRWDZBQOSA-N -1 3 316.449 2.938 20 0 DFADHM O=c1[n-]c(Cc2cc(C(F)(F)F)ccn2)nc2cccnc12 ZINC000359851006 428046686 /nfs/dbraw/zinc/04/66/86/428046686.db2.gz QDVKTLIYWJZMRL-UHFFFAOYSA-N -1 3 306.247 2.735 20 0 DFADHM O=C([N-]c1nncn1C1CC1)c1csc(-c2ccoc2)n1 ZINC000356186437 428056657 /nfs/dbraw/zinc/05/66/57/428056657.db2.gz QKOZAUYLTFLQNG-UHFFFAOYSA-N -1 3 301.331 2.582 20 0 DFADHM O=C([N-]c1nncn1C1CC1)c1cnc(-c2ccco2)s1 ZINC000356181835 428056883 /nfs/dbraw/zinc/05/68/83/428056883.db2.gz TYAMLVSSIPHIMK-UHFFFAOYSA-N -1 3 301.331 2.582 20 0 DFADHM CN(C[C@H]1CCc2nccn2C1)C(=O)c1ccc(Cl)cc1[O-] ZINC000369576021 428004978 /nfs/dbraw/zinc/00/49/78/428004978.db2.gz BEQPEHHCAPCWHG-LLVKDONJSA-N -1 3 319.792 2.577 20 0 DFADHM CCOc1nc2ccc(-c3nc([C@H]4CCCO4)no3)cc2[n-]1 ZINC000351059256 428006019 /nfs/dbraw/zinc/00/60/19/428006019.db2.gz UGLZAPKZLMCCDV-GFCCVEGCSA-N -1 3 300.318 2.863 20 0 DFADHM CCOC(=O)CN(Cc1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000356063754 428006623 /nfs/dbraw/zinc/00/66/23/428006623.db2.gz WVSZQFGBCFHSSG-UHFFFAOYSA-N -1 3 317.307 2.939 20 0 DFADHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2cc(F)cc(F)c2)cs1 ZINC000341208937 428013381 /nfs/dbraw/zinc/01/33/81/428013381.db2.gz FXDXDUOCCHPQCG-ZETCQYMHSA-N -1 3 318.370 2.769 20 0 DFADHM COc1c(NCc2cc([O-])cc(F)c2)cc(Cl)cc1C(N)=O ZINC000341217845 428017688 /nfs/dbraw/zinc/01/76/88/428017688.db2.gz YQJKONTYRMZEIQ-UHFFFAOYSA-N -1 3 324.739 2.904 20 0 DFADHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2F)cs1 ZINC000341216564 428018178 /nfs/dbraw/zinc/01/81/78/428018178.db2.gz WWDJJKGISDWWGE-SSDOTTSWSA-N -1 3 318.370 2.769 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](n3ncc4ccccc43)C2)n1 ZINC000377145307 428069815 /nfs/dbraw/zinc/06/98/15/428069815.db2.gz VMEUGUKHWNYTOZ-ZFWWWQNUSA-N -1 3 323.400 2.848 20 0 DFADHM CCCOc1ccccc1NC(=O)c1c[n-]c2ccncc2c1=O ZINC000341457388 428071712 /nfs/dbraw/zinc/07/17/12/428071712.db2.gz PTAYMMNAEPFDSM-UHFFFAOYSA-N -1 3 323.352 2.964 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(OCC2CC2)CC1 ZINC000369875043 428079439 /nfs/dbraw/zinc/07/94/39/428079439.db2.gz ZOYGBBWHZIPUAI-UHFFFAOYSA-N -1 3 322.380 2.632 20 0 DFADHM CCCc1nc(C)c(-c2nc(-c3ccc4n[n-]nc4c3)no2)o1 ZINC000351463692 428093186 /nfs/dbraw/zinc/09/31/86/428093186.db2.gz PBCMLOJTASMOKI-UHFFFAOYSA-N -1 3 310.317 2.924 20 0 DFADHM O=C(NCCCc1ccccc1)c1c[n-]nc1-c1ccccn1 ZINC000351496882 428094046 /nfs/dbraw/zinc/09/40/46/428094046.db2.gz BFAXNKVNLWOZJA-UHFFFAOYSA-N -1 3 306.369 2.834 20 0 DFADHM CCC[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000360003997 428112187 /nfs/dbraw/zinc/11/21/87/428112187.db2.gz WFSMHOSPEQHKBB-ONGXEEELSA-N 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/nfs/dbraw/zinc/13/74/10/428137410.db2.gz MZRAETIZKGPCPP-XYPYZODXSA-N -1 3 301.317 2.913 20 0 DFADHM CCOC(=O)c1ccc(C(=O)[N-]c2c(C)noc2C2CC2)nc1 ZINC000346367591 428142597 /nfs/dbraw/zinc/14/25/97/428142597.db2.gz OTFGTUBJJYLOLE-UHFFFAOYSA-N -1 3 315.329 2.684 20 0 DFADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1 ZINC000341663085 428144975 /nfs/dbraw/zinc/14/49/75/428144975.db2.gz WHLMCNWQVFOTDL-GFCCVEGCSA-N -1 3 321.320 2.508 20 0 DFADHM CCc1cnc(C[N-]S(=O)(=O)c2ccccc2C(C)C)o1 ZINC000360149569 428183259 /nfs/dbraw/zinc/18/32/59/428183259.db2.gz OCZZRPAYMUYAJW-UHFFFAOYSA-N -1 3 308.403 2.839 20 0 DFADHM COc1nc(NC(=O)C2(c3cccc(F)c3)CCCCC2)n[n-]1 ZINC000352647182 428183555 /nfs/dbraw/zinc/18/35/55/428183555.db2.gz OOSVFMDFZGYIAH-UHFFFAOYSA-N -1 3 318.352 2.793 20 0 DFADHM COc1nnc(NC(=O)C2(c3cccc(F)c3)CCCCC2)[n-]1 ZINC000352647182 428183562 /nfs/dbraw/zinc/18/35/62/428183562.db2.gz OOSVFMDFZGYIAH-UHFFFAOYSA-N -1 3 318.352 2.793 20 0 DFADHM COc1n[n-]c(NC(=O)C2(c3cccc(F)c3)CCCCC2)n1 ZINC000352647182 428183565 /nfs/dbraw/zinc/18/35/65/428183565.db2.gz OOSVFMDFZGYIAH-UHFFFAOYSA-N -1 3 318.352 2.793 20 0 DFADHM CNc1ccccc1C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000341757467 428183984 /nfs/dbraw/zinc/18/39/84/428183984.db2.gz JWAMTYZIOFFLHL-UHFFFAOYSA-N -1 3 323.356 2.774 20 0 DFADHM COC1CCC(C[N-]S(=O)(=O)c2c(C)cccc2F)CC1 ZINC000356404173 428164871 /nfs/dbraw/zinc/16/48/71/428164871.db2.gz XIQJOKJMUYTDLK-UHFFFAOYSA-N -1 3 315.410 2.618 20 0 DFADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000346420371 428165826 /nfs/dbraw/zinc/16/58/26/428165826.db2.gz HFHBPVRPIUDWRL-TVQRCGJNSA-N -1 3 317.780 2.568 20 0 DFADHM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2ccccc2F)C[C@@H]1OC ZINC000360121564 428170469 /nfs/dbraw/zinc/17/04/69/428170469.db2.gz JAVFSTWIYRJQQO-KBPBESRZSA-N -1 3 315.410 2.698 20 0 DFADHM CCC[C@H](NCc1cc([O-])cc(C(F)(F)F)c1)C(=O)OC ZINC000356428068 428173239 /nfs/dbraw/zinc/17/32/39/428173239.db2.gz YTMKVUIJODEFGE-LBPRGKRZSA-N -1 3 305.296 2.842 20 0 DFADHM COc1nc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)n[n-]1 ZINC000352637642 428177431 /nfs/dbraw/zinc/17/74/31/428177431.db2.gz OJPZNTDCBRXTEG-NSHDSACASA-N -1 3 302.378 2.754 20 0 DFADHM COc1nnc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)[n-]1 ZINC000352637642 428177438 /nfs/dbraw/zinc/17/74/38/428177438.db2.gz OJPZNTDCBRXTEG-NSHDSACASA-N -1 3 302.378 2.754 20 0 DFADHM COc1n[n-]c(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000352637642 428177446 /nfs/dbraw/zinc/17/74/46/428177446.db2.gz OJPZNTDCBRXTEG-NSHDSACASA-N -1 3 302.378 2.754 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC000352639238 428178178 /nfs/dbraw/zinc/17/81/78/428178178.db2.gz YECPALRPKXQXLU-LBPRGKRZSA-N -1 3 304.390 2.724 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000352644682 428180760 /nfs/dbraw/zinc/18/07/60/428180760.db2.gz NYUGURZIPVHTNW-UHFFFAOYSA-N -1 3 312.325 2.573 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](c2ccccc2)N(C)C)o1 ZINC000360147865 428180866 /nfs/dbraw/zinc/18/08/66/428180866.db2.gz IFGLKEQDEPQRKS-CJNGLKHVSA-N -1 3 322.430 2.558 20 0 DFADHM Cc1n[nH]cc1S(=O)(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000341750270 428181895 /nfs/dbraw/zinc/18/18/95/428181895.db2.gz RVWJIORMFOAEOV-UHFFFAOYSA-N -1 3 321.736 2.759 20 0 DFADHM COc1nc(NC(=O)CCC(=O)c2ccc3ccccc3c2)n[n-]1 ZINC000352647142 428182430 /nfs/dbraw/zinc/18/24/30/428182430.db2.gz OGJQRYKTKWHAJL-UHFFFAOYSA-N -1 3 324.340 2.568 20 0 DFADHM COc1nnc(NC(=O)CCC(=O)c2ccc3ccccc3c2)[n-]1 ZINC000352647142 428182433 /nfs/dbraw/zinc/18/24/33/428182433.db2.gz OGJQRYKTKWHAJL-UHFFFAOYSA-N -1 3 324.340 2.568 20 0 DFADHM COc1n[n-]c(NC(=O)CCC(=O)c2ccc3ccccc3c2)n1 ZINC000352647142 428182438 /nfs/dbraw/zinc/18/24/38/428182438.db2.gz OGJQRYKTKWHAJL-UHFFFAOYSA-N -1 3 324.340 2.568 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccco1 ZINC000370462295 428213691 /nfs/dbraw/zinc/21/36/91/428213691.db2.gz PLJHZWVSHVAXGA-MJHDQNEOSA-N -1 3 313.325 2.782 20 0 DFADHM CSc1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)n1 ZINC000360233762 428215801 /nfs/dbraw/zinc/21/58/01/428215801.db2.gz JNLLBDPHSQGCKH-UHFFFAOYSA-N -1 3 311.370 2.841 20 0 DFADHM Cc1cn2c(n1)CN(C(=O)c1cc([O-])c3ccccc3c1)CC2 ZINC000370468862 428216669 /nfs/dbraw/zinc/21/66/69/428216669.db2.gz KYISLDHEFGNZDU-UHFFFAOYSA-N -1 3 307.353 2.706 20 0 DFADHM O=S(=O)([N-]CCCCF)c1csc(-c2ccccc2)n1 ZINC000360252514 428223652 /nfs/dbraw/zinc/22/36/52/428223652.db2.gz QCXPNTVKVVMAPG-UHFFFAOYSA-N -1 3 314.407 2.838 20 0 DFADHM CCN1C(=O)C(C)(C)N[C@@H]1c1cc([O-])cc(C(F)(F)F)c1 ZINC000414207364 428234574 /nfs/dbraw/zinc/23/45/74/428234574.db2.gz QUIIKMBQWHMQGM-NSHDSACASA-N -1 3 302.296 2.640 20 0 DFADHM CCCCS(=O)(=O)[N-]Cc1nc([C@@H]2CCCC[C@@H]2C)no1 ZINC000356576120 428238262 /nfs/dbraw/zinc/23/82/62/428238262.db2.gz BGCUADQMTJKESH-NWDGAFQWSA-N -1 3 315.439 2.583 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCO[C@H](CC)C2)c([O-])c1 ZINC000356582188 428240302 /nfs/dbraw/zinc/24/03/02/428240302.db2.gz SDZGBFXWZCYXCQ-WCQYABFASA-N -1 3 321.373 2.713 20 0 DFADHM CC(=O)NC1CCC(N(C)C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000346493591 428194212 /nfs/dbraw/zinc/19/42/12/428194212.db2.gz VXCDVCAVWYDBLH-UHFFFAOYSA-N -1 3 324.808 2.565 20 0 DFADHM CC1(C)[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H]2CCCO[C@H]21 ZINC000377929079 428264337 /nfs/dbraw/zinc/26/43/37/428264337.db2.gz UNNSQVFGJWLLQX-ZLKJLUDKSA-N -1 3 309.793 2.979 20 0 DFADHM CN(C)c1ccc(NCc2cc([O-])cc(C(F)(F)F)c2)nc1 ZINC000352833855 428271711 /nfs/dbraw/zinc/27/17/11/428271711.db2.gz IIZNZTXOKHYUSB-UHFFFAOYSA-N -1 3 311.307 3.484 20 0 DFADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000414366490 428274817 /nfs/dbraw/zinc/27/48/17/428274817.db2.gz ADYYUBXEMDAPAB-UHFFFAOYSA-N -1 3 315.435 2.888 20 0 DFADHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000360374893 428275387 /nfs/dbraw/zinc/27/53/87/428275387.db2.gz CFVQOQKEKIVTJK-IUCAKERBSA-N -1 3 307.337 2.818 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C2CCCCC2)cn1C ZINC000360441676 428298536 /nfs/dbraw/zinc/29/85/36/428298536.db2.gz HJTRJJBKPHSPRJ-VXGBXAGGSA-N -1 3 313.467 2.612 20 0 DFADHM C[C@H](N=c1nc2[nH][n-]cc-2c(N)n1)c1ccc(Cl)c(Cl)c1 ZINC000341929976 428252112 /nfs/dbraw/zinc/25/21/12/428252112.db2.gz OOZATCATIGWSGN-LURJTMIESA-N -1 3 323.187 2.789 20 0 DFADHM C/C=C/c1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000360327072 428252769 /nfs/dbraw/zinc/25/27/69/428252769.db2.gz VOUPLAZTTPZJIX-PSKZRQQASA-N -1 3 324.446 2.622 20 0 DFADHM CCOC1CC(N(C)C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000360332901 428256471 /nfs/dbraw/zinc/25/64/71/428256471.db2.gz DPYNJYCIROAJND-UHFFFAOYSA-N -1 3 309.381 2.880 20 0 DFADHM O=S(=O)(CCC1CCC1)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000377902549 428258652 /nfs/dbraw/zinc/25/86/52/428258652.db2.gz FPMMUABKTFOCMF-GFCCVEGCSA-N -1 3 317.357 2.508 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)Cc2ncc(C)s2)c([O-])c1 ZINC000356800637 428313600 /nfs/dbraw/zinc/31/36/00/428313600.db2.gz WXKNCMLMPBTXSO-UHFFFAOYSA-N -1 3 320.370 2.515 20 0 DFADHM C[C@]1(CNC(=O)c2cc([O-])ccc2Cl)CCO[C@@H]1C1CC1 ZINC000378135819 428316847 /nfs/dbraw/zinc/31/68/47/428316847.db2.gz CKIYEQRZFROOLL-GDBMZVCRSA-N -1 3 309.793 2.981 20 0 DFADHM CCOc1ccccc1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000352941493 428322634 /nfs/dbraw/zinc/32/26/34/428322634.db2.gz HZGYAGGIKAKKEM-UHFFFAOYSA-N -1 3 322.368 2.800 20 0 DFADHM CC[C@H](NCc1cnc(C)[n-]c1=O)c1ccc(OC)c(OC)c1 ZINC000346801095 428322832 /nfs/dbraw/zinc/32/28/32/428322832.db2.gz RDQJXODXOMPURW-AWEZNQCLSA-N -1 3 317.389 2.749 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cccc(Cl)c2)s1 ZINC000360509846 428325903 /nfs/dbraw/zinc/32/59/03/428325903.db2.gz FFAMGJLTFINEHW-UHFFFAOYSA-N -1 3 316.835 2.892 20 0 DFADHM Cc1nc(C)c(CC(=O)N(Cc2cccs2)C(C)C)c(=O)[n-]1 ZINC000352957652 428326006 /nfs/dbraw/zinc/32/60/06/428326006.db2.gz PECNECPQFUMWDD-UHFFFAOYSA-N -1 3 319.430 2.840 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@@H]2C)s1 ZINC000360517167 428329680 /nfs/dbraw/zinc/32/96/80/428329680.db2.gz XMMZTUKEOJJKRB-VDDIYKPWSA-N -1 3 302.465 2.863 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@H]2C)s1 ZINC000360517166 428330491 /nfs/dbraw/zinc/33/04/91/428330491.db2.gz XMMZTUKEOJJKRB-KBVBSXBZSA-N -1 3 302.465 2.863 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@H]2C)s1 ZINC000360517168 428330586 /nfs/dbraw/zinc/33/05/86/428330586.db2.gz XMMZTUKEOJJKRB-YGOYTEALSA-N -1 3 302.465 2.863 20 0 DFADHM O=C(NCc1ncccc1[O-])c1ccccc1NCc1ccco1 ZINC000352987187 428339327 /nfs/dbraw/zinc/33/93/27/428339327.db2.gz IUGYTQRFHKWIEB-UHFFFAOYSA-N -1 3 323.352 2.922 20 0 DFADHM C[C@@H]1[C@H](CO)CCCN1Cc1cccc([O-])c1Br ZINC000414560508 428339928 /nfs/dbraw/zinc/33/99/28/428339928.db2.gz AUNNUMNUVDSCOC-PWSUYJOCSA-N -1 3 314.223 2.748 20 0 DFADHM Cc1cc(C(=O)NCc2cc(Cl)sc2Cl)[n-]c(=O)n1 ZINC000356858604 428340601 /nfs/dbraw/zinc/34/06/01/428340601.db2.gz SNSJXXBQHBNBNN-UHFFFAOYSA-N -1 3 318.185 2.789 20 0 DFADHM CC(C)OCCCc1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000346983540 428395398 /nfs/dbraw/zinc/39/53/98/428395398.db2.gz HCMJIVNDWUVPHE-UHFFFAOYSA-N -1 3 313.361 2.879 20 0 DFADHM C[C@@H]1CSC[C@@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000342314619 428400220 /nfs/dbraw/zinc/40/02/20/428400220.db2.gz KESQLYZKLCIHPO-HQJQHLMTSA-N -1 3 305.321 2.892 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@@H](C1CCCC1)C(F)(F)F ZINC000346905688 428366037 /nfs/dbraw/zinc/36/60/37/428366037.db2.gz BWTCAKHEYFGFQF-LBPRGKRZSA-N -1 3 317.311 2.708 20 0 DFADHM CCCC[C@H](NCc1cc(C(=O)OC)ccc1Cl)C(=O)[O-] ZINC000414665545 428368373 /nfs/dbraw/zinc/36/83/73/428368373.db2.gz UOJAXRVXOVYONZ-ZDUSSCGKSA-N -1 3 313.781 2.860 20 0 DFADHM CC(C)c1nn(-c2ccccc2)cc1CN1CC[C@H](C(=O)[O-])C1 ZINC000414672728 428370709 /nfs/dbraw/zinc/37/07/09/428370709.db2.gz CKXNBGAPCVLOLT-AWEZNQCLSA-N -1 3 313.401 2.902 20 0 DFADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)c1ccc(Cl)c2ccccc21 ZINC000360634961 428377031 /nfs/dbraw/zinc/37/70/31/428377031.db2.gz QQWPETHKSJEGES-SNVBAGLBSA-N -1 3 316.792 2.766 20 0 DFADHM CSc1nnc(NC(=O)c2cccc(OC(F)(F)F)c2)[n-]1 ZINC000357097121 428386055 /nfs/dbraw/zinc/38/60/55/428386055.db2.gz PAEDFBUAZROEPR-UHFFFAOYSA-N -1 3 318.280 2.678 20 0 DFADHM CSc1n[n-]c(NC(=O)c2cccc(OC(F)(F)F)c2)n1 ZINC000357097121 428386060 /nfs/dbraw/zinc/38/60/60/428386060.db2.gz PAEDFBUAZROEPR-UHFFFAOYSA-N -1 3 318.280 2.678 20 0 DFADHM CSc1nc(NC(=O)c2cccc(OC(F)(F)F)c2)n[n-]1 ZINC000357097121 428386066 /nfs/dbraw/zinc/38/60/66/428386066.db2.gz PAEDFBUAZROEPR-UHFFFAOYSA-N -1 3 318.280 2.678 20 0 DFADHM Cc1cc(C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)ccc1[O-] ZINC000357209702 428434500 /nfs/dbraw/zinc/43/45/00/428434500.db2.gz JHAAVHHVHUMPLH-SFHVURJKSA-N -1 3 324.424 2.700 20 0 DFADHM O=C([N-]c1nc2ccccn2n1)c1cccc(C(F)(F)F)c1F ZINC000342683753 428438776 /nfs/dbraw/zinc/43/87/76/428438776.db2.gz YBBNSDXEOMBZPS-UHFFFAOYSA-N -1 3 324.237 3.140 20 0 DFADHM CSc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)[n-]1 ZINC000357222910 428440405 /nfs/dbraw/zinc/44/04/05/428440405.db2.gz VVXGSBCRVITBBJ-VXNVDRBHSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)n1 ZINC000357222910 428440412 /nfs/dbraw/zinc/44/04/12/428440412.db2.gz VVXGSBCRVITBBJ-VXNVDRBHSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1nc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)n[n-]1 ZINC000357222910 428440418 /nfs/dbraw/zinc/44/04/18/428440418.db2.gz VVXGSBCRVITBBJ-VXNVDRBHSA-N -1 3 310.329 2.547 20 0 DFADHM Cc1cc(Cl)cc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000360815138 428449094 /nfs/dbraw/zinc/44/90/94/428449094.db2.gz VOWUTRCLXAOCPS-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM Cc1cc(Cl)cc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000360815138 428449101 /nfs/dbraw/zinc/44/91/01/428449101.db2.gz VOWUTRCLXAOCPS-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM Cc1cc(Cl)cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000360815138 428449109 /nfs/dbraw/zinc/44/91/09/428449109.db2.gz VOWUTRCLXAOCPS-UHFFFAOYSA-N -1 3 318.686 2.715 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2ccc3c(C)nn(C)c3c2)c1 ZINC000360835034 428456974 /nfs/dbraw/zinc/45/69/74/428456974.db2.gz SZNNRQBIBUHITM-UHFFFAOYSA-N -1 3 311.341 2.848 20 0 DFADHM O=S(=O)([N-]CCC(F)(F)F)c1ccc(F)cc1Cl ZINC000360845300 428461188 /nfs/dbraw/zinc/46/11/88/428461188.db2.gz KESRRDYLYHITLB-UHFFFAOYSA-N -1 3 305.680 2.710 20 0 DFADHM CC(C)(COCc1ccccc1)NC(=O)c1ccc(O)cc1[O-] ZINC000390372411 428470786 /nfs/dbraw/zinc/47/07/86/428470786.db2.gz JTFMUGGRTCNFDS-UHFFFAOYSA-N -1 3 315.369 2.823 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCN1Cc1ccccc1 ZINC000360847149 428463139 /nfs/dbraw/zinc/46/31/39/428463139.db2.gz FLLIRUZIRANDAP-INIZCTEOSA-N -1 3 300.333 2.744 20 0 DFADHM COc1cccc(C(=O)N2CC=C(c3cccnc3)CC2)c1[O-] ZINC000378523751 428419521 /nfs/dbraw/zinc/41/95/21/428419521.db2.gz WSHPJYSKSKHYAN-UHFFFAOYSA-N -1 3 310.353 2.725 20 0 DFADHM Cc1nc(C)n([C@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)n1 ZINC000372210523 428421563 /nfs/dbraw/zinc/42/15/63/428421563.db2.gz LIIHCBGOBRYFNU-HNNXBMFYSA-N -1 3 304.369 2.577 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)o1 ZINC000372238312 428424177 /nfs/dbraw/zinc/42/41/77/428424177.db2.gz XJNYMGQUKYPJIA-SCZZXKLOSA-N -1 3 316.748 3.351 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000378553886 428424971 /nfs/dbraw/zinc/42/49/71/428424971.db2.gz QFUFHACNFQZYEZ-GFOMBABLSA-N -1 3 324.380 2.870 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]CCCCC1CCCC1 ZINC000360770482 428431468 /nfs/dbraw/zinc/43/14/68/428431468.db2.gz UYRPIPIREPFCFF-UHFFFAOYSA-N -1 3 300.424 2.930 20 0 DFADHM Cc1nc2c(s1)[C@H](NC(=O)c1ccc(O)cc1[O-])CCC2 ZINC000378590696 428432097 /nfs/dbraw/zinc/43/20/97/428432097.db2.gz HWKAJEHYEIYAMO-GFCCVEGCSA-N -1 3 304.371 2.670 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCC(C)C)c1 ZINC000353311148 428479166 /nfs/dbraw/zinc/47/91/66/428479166.db2.gz IGQRHXCNAULACT-KGLIPLIRSA-N -1 3 313.467 2.786 20 0 DFADHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000360893977 428481147 /nfs/dbraw/zinc/48/11/47/428481147.db2.gz QCNMKRVVVQBTCE-NWDGAFQWSA-N -1 3 321.801 2.715 20 0 DFADHM Cc1cccc(C)c1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000347177956 428481469 /nfs/dbraw/zinc/48/14/69/428481469.db2.gz XOMUSRZBNJHRGK-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM Cc1cccc(C)c1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000347177956 428481475 /nfs/dbraw/zinc/48/14/75/428481475.db2.gz XOMUSRZBNJHRGK-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM CCCOc1cc(F)ccc1NC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000342912348 428483840 /nfs/dbraw/zinc/48/38/40/428483840.db2.gz GTPRUSOLKLTQIJ-UHFFFAOYSA-N -1 3 320.320 2.982 20 0 DFADHM CC(=O)c1cccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c1 ZINC000393873514 428487214 /nfs/dbraw/zinc/48/72/14/428487214.db2.gz DJUIBIPTZVGGOJ-UHFFFAOYSA-N -1 3 309.309 2.508 20 0 DFADHM CCc1ccc(C(=O)N2CCC(n3cc(C)cn3)CC2)c([O-])c1 ZINC000372729111 428496517 /nfs/dbraw/zinc/49/65/17/428496517.db2.gz UBEBMNTZZUGORP-UHFFFAOYSA-N -1 3 313.401 2.937 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000353352288 428498442 /nfs/dbraw/zinc/49/84/42/428498442.db2.gz WEIPWMXXLZFDRK-ZDUSSCGKSA-N -1 3 307.419 2.559 20 0 DFADHM COC1(C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000360951404 428505512 /nfs/dbraw/zinc/50/55/12/428505512.db2.gz OFAIZHGDMBOEOB-UHFFFAOYSA-N -1 3 309.381 2.882 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)NCC3(C(F)F)CC3)c[n-]c12 ZINC000343014842 428506636 /nfs/dbraw/zinc/50/66/36/428506636.db2.gz YLVOLNDSNFEHCD-UHFFFAOYSA-N -1 3 324.302 2.751 20 0 DFADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1c[n-]nc1-c1ccccn1 ZINC000353380615 428512162 /nfs/dbraw/zinc/51/21/62/428512162.db2.gz ZXBIYTKUMGWBFN-CJNGLKHVSA-N -1 3 304.353 2.758 20 0 DFADHM C[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])CN1Cc1ccccc1 ZINC000398070647 428520302 /nfs/dbraw/zinc/52/03/02/428520302.db2.gz JQSTXLLKNBMFSY-GDBMZVCRSA-N -1 3 310.397 2.785 20 0 DFADHM CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000373461949 428583830 /nfs/dbraw/zinc/58/38/30/428583830.db2.gz SKAWVKJJMKBWML-LLVKDONJSA-N -1 3 320.418 2.646 20 0 DFADHM Cc1[nH]nc(C(F)F)c1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000353547081 428588402 /nfs/dbraw/zinc/58/84/02/428588402.db2.gz RERILEVPVILWJZ-UHFFFAOYSA-N -1 3 318.283 2.750 20 0 DFADHM Cc1[nH]nc(C(F)F)c1NC(=O)c1cnc2ccccc2c1[O-] ZINC000353547081 428588405 /nfs/dbraw/zinc/58/84/05/428588405.db2.gz RERILEVPVILWJZ-UHFFFAOYSA-N -1 3 318.283 2.750 20 0 DFADHM O=c1[n-]nc([C@@H]2CCCN(C[C@H]3CCC4(CCCCC4)O3)C2)o1 ZINC000408009162 428592762 /nfs/dbraw/zinc/59/27/62/428592762.db2.gz KNZHGBJJUIQVTD-ZIAGYGMSSA-N -1 3 321.421 2.837 20 0 DFADHM FC(F)(F)c1nnc([N-]Cc2ccccc2OCC2CC2)o1 ZINC000357708910 428558418 /nfs/dbraw/zinc/55/84/18/428558418.db2.gz MEPQSYGDVZZSAR-UHFFFAOYSA-N -1 3 313.279 3.489 20 0 DFADHM O=S(=O)([N-]CC1Cc2ccccc2C1)c1ccc(F)cc1F ZINC000343837928 428578272 /nfs/dbraw/zinc/57/82/72/428578272.db2.gz GJGHHRGGQOVKTK-UHFFFAOYSA-N -1 3 323.364 2.658 20 0 DFADHM Cc1cc(C)cc(OCCN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000405460048 428578531 /nfs/dbraw/zinc/57/85/31/428578531.db2.gz WFDJRGAKQPZAPZ-INIZCTEOSA-N -1 3 303.402 2.869 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1c[n-]nc1-c1ccccn1 ZINC000353565664 428596591 /nfs/dbraw/zinc/59/65/91/428596591.db2.gz BLNVAOFDRWRJFN-CZUORRHYSA-N -1 3 322.343 2.897 20 0 DFADHM COC(=O)[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)[C@@H]1C(C)C ZINC000353597901 428614917 /nfs/dbraw/zinc/61/49/17/428614917.db2.gz VEFQACWEDVSIFS-MEBBXXQBSA-N -1 3 313.344 2.690 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000408209681 428621047 /nfs/dbraw/zinc/62/10/47/428621047.db2.gz DHGLLDMJSMAAIU-HOCLYGCPSA-N -1 3 305.418 2.824 20 0 DFADHM Cc1ncc(CNCc2cccc(-c3cccnc3)c2)c(=O)[n-]1 ZINC000344298986 428629175 /nfs/dbraw/zinc/62/91/75/428629175.db2.gz FSUXGYAKBQKZJZ-UHFFFAOYSA-N -1 3 306.369 2.842 20 0 DFADHM O=c1cc(CN[C@@H](c2ccc(F)cc2)C(F)(F)F)occ1[O-] ZINC000362153450 428639706 /nfs/dbraw/zinc/63/97/06/428639706.db2.gz XQMVNFHWMKUJTA-ZDUSSCGKSA-N -1 3 317.238 2.878 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000373728364 428643332 /nfs/dbraw/zinc/64/33/32/428643332.db2.gz ONQHGWKIWFAXQD-UVBJJODRSA-N -1 3 319.368 2.855 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000373728364 428643338 /nfs/dbraw/zinc/64/33/38/428643338.db2.gz ONQHGWKIWFAXQD-UVBJJODRSA-N -1 3 319.368 2.855 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000408348614 428643403 /nfs/dbraw/zinc/64/34/03/428643403.db2.gz IUTSTCPLOMLWLS-BDAKNGLRSA-N -1 3 319.331 2.544 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000408348614 428643411 /nfs/dbraw/zinc/64/34/11/428643411.db2.gz IUTSTCPLOMLWLS-BDAKNGLRSA-N -1 3 319.331 2.544 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000408348614 428643417 /nfs/dbraw/zinc/64/34/17/428643417.db2.gz IUTSTCPLOMLWLS-BDAKNGLRSA-N -1 3 319.331 2.544 20 0 DFADHM C[C@H]1CCCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000408350535 428646068 /nfs/dbraw/zinc/64/60/68/428646068.db2.gz SAGOGDAQMPNCNA-VIFPVBQESA-N -1 3 306.312 2.678 20 0 DFADHM CC1(CNC(=O)c2cc3c(cc2[O-])CCCC3)CCOCC1 ZINC000408414631 428656579 /nfs/dbraw/zinc/65/65/79/428656579.db2.gz MAEYSBKGKOPOMI-UHFFFAOYSA-N -1 3 303.402 2.818 20 0 DFADHM C[C@@H]1C[C@H](CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCO1 ZINC000408410080 428656120 /nfs/dbraw/zinc/65/61/20/428656120.db2.gz JEUOAZIQXIKDNE-VXGBXAGGSA-N -1 3 319.401 2.651 20 0 DFADHM CCC1(NC(=O)c2cc3c(cc2[O-])CCCC3)CCOCC1 ZINC000408409839 428656386 /nfs/dbraw/zinc/65/63/86/428656386.db2.gz FEAGALPLLNXXQY-UHFFFAOYSA-N -1 3 303.402 2.960 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)cc1[O-] ZINC000408467998 428666561 /nfs/dbraw/zinc/66/65/61/428666561.db2.gz PDOLOPGBMOIRJT-ZDUSSCGKSA-N -1 3 317.385 2.626 20 0 DFADHM CC[C@H]1[C@H](CO)CCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000408466925 428666579 /nfs/dbraw/zinc/66/65/79/428666579.db2.gz NFXDEXFYVFHCJD-BBRMVZONSA-N -1 3 303.402 2.504 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC3(CCOCC3)[C@H]2C)cc1[O-] ZINC000408467997 428667753 /nfs/dbraw/zinc/66/77/53/428667753.db2.gz PDOLOPGBMOIRJT-CYBMUJFWSA-N -1 3 317.385 2.626 20 0 DFADHM Cc1ccc2[nH]c(NC(=O)c3c[n-]c4ccccc4c3=O)nc2c1 ZINC000344487667 428662758 /nfs/dbraw/zinc/66/27/58/428662758.db2.gz VSWRVVCGQJEORJ-UHFFFAOYSA-N -1 3 318.336 2.965 20 0 DFADHM Cc1ccc2nc(NC(=O)c3c[n-]c4ccccc4c3=O)[nH]c2c1 ZINC000344487667 428662765 /nfs/dbraw/zinc/66/27/65/428662765.db2.gz VSWRVVCGQJEORJ-UHFFFAOYSA-N -1 3 318.336 2.965 20 0 DFADHM C[C@]([N-]S(=O)(=O)c1ccc(F)cc1)(C1CC1)C(F)(F)F ZINC000358840774 428698926 /nfs/dbraw/zinc/69/89/26/428698926.db2.gz KAMHYHCRSNMBCQ-NSHDSACASA-N -1 3 311.300 2.835 20 0 DFADHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2ccccc2OC(F)F)C1 ZINC000358840583 428699920 /nfs/dbraw/zinc/69/99/20/428699920.db2.gz NWLPNBRKSMSLOR-SNVBAGLBSA-N -1 3 320.361 2.677 20 0 DFADHM C[C@@]([N-]S(=O)(=O)c1ccc(F)cc1)(C1CC1)C(F)(F)F ZINC000358840773 428700393 /nfs/dbraw/zinc/70/03/93/428700393.db2.gz KAMHYHCRSNMBCQ-LLVKDONJSA-N -1 3 311.300 2.835 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@H]2CCC[C@@H]2C)n[n-]1 ZINC000344749120 428700658 /nfs/dbraw/zinc/70/06/58/428700658.db2.gz PLAYLSOFTHMNBK-QWRGUYRKSA-N -1 3 300.362 2.855 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H](O)CCc1ccccc1 ZINC000344749439 428701344 /nfs/dbraw/zinc/70/13/44/428701344.db2.gz SIRJLUAIBMIGQF-HNNXBMFYSA-N -1 3 305.761 2.978 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CCC[C@H]2C)n[n-]1 ZINC000344749117 428701590 /nfs/dbraw/zinc/70/15/90/428701590.db2.gz PLAYLSOFTHMNBK-GHMZBOCLSA-N -1 3 300.362 2.855 20 0 DFADHM Cc1ncc(CNC(=O)Nc2ccc(C(C)C)cc2)c(=O)[n-]1 ZINC000344916808 428722689 /nfs/dbraw/zinc/72/26/89/428722689.db2.gz LXPQJWWHCLLURL-UHFFFAOYSA-N -1 3 300.362 2.936 20 0 DFADHM Cc1ncccc1OC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000416362610 428725702 /nfs/dbraw/zinc/72/57/02/428725702.db2.gz WGFVSQBVQUYITH-CQSZACIVSA-N -1 3 312.369 2.779 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c(F)c1 ZINC000344958488 428726235 /nfs/dbraw/zinc/72/62/35/428726235.db2.gz VJXGWPYEDGAYKU-UHFFFAOYSA-N -1 3 311.300 2.753 20 0 DFADHM Cc1ccc(F)cc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000344958015 428728048 /nfs/dbraw/zinc/72/80/48/428728048.db2.gz IFUDAPCWECFIBL-UHFFFAOYSA-N -1 3 311.300 2.753 20 0 DFADHM O=C(N[C@H]1COc2ccc(F)cc21)c1cc(=O)c2ccccc2[n-]1 ZINC000344975912 428732483 /nfs/dbraw/zinc/73/24/83/428732483.db2.gz HXHCVTFFIRODRN-HNNXBMFYSA-N -1 3 324.311 2.531 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1COc2ccc(F)cc21 ZINC000344976725 428732647 /nfs/dbraw/zinc/73/26/47/428732647.db2.gz JHOSDCNIFJJANF-AWEZNQCLSA-N -1 3 321.735 2.977 20 0 DFADHM O=C(Nc1cccc(C2CC2)n1)c1n[n-]nc1-c1ccccc1 ZINC000353725210 428678432 /nfs/dbraw/zinc/67/84/32/428678432.db2.gz PMYMZHNSSUYSDI-UHFFFAOYSA-N -1 3 305.341 2.996 20 0 DFADHM CCc1cc(=O)[n-]c(CN(CCOC)C[C@H]2CC=CCC2)n1 ZINC000362256000 428679228 /nfs/dbraw/zinc/67/92/28/428679228.db2.gz YGHPWJINLDZZGK-AWEZNQCLSA-N -1 3 305.422 2.549 20 0 DFADHM CC(=O)N1CC[C@](C)(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1 ZINC000374491298 428684111 /nfs/dbraw/zinc/68/41/11/428684111.db2.gz YRJRFTXJRRGHKT-SFHVURJKSA-N -1 3 318.417 2.887 20 0 DFADHM COc1ccncc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000348265611 428685260 /nfs/dbraw/zinc/68/52/60/428685260.db2.gz ADBKZYWYDMXGHO-UHFFFAOYSA-N -1 3 308.337 2.879 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(Cl)cc1F ZINC000416562987 428752664 /nfs/dbraw/zinc/75/26/64/428752664.db2.gz XTOLXIMBSPLFKD-UBHAPETDSA-N -1 3 303.786 2.946 20 0 DFADHM Cc1ncc(CNC(=O)c2ccccc2SC(C)C)c(=O)[n-]1 ZINC000345098916 428753721 /nfs/dbraw/zinc/75/37/21/428753721.db2.gz UPFGYWILNVTDEN-UHFFFAOYSA-N -1 3 317.414 2.921 20 0 DFADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)CS1 ZINC000416589237 428757573 /nfs/dbraw/zinc/75/75/73/428757573.db2.gz LWUDRLCOESEQDM-VXNVDRBHSA-N -1 3 309.815 2.651 20 0 DFADHM Cc1ncc(CNC(=O)[C@H](C)Cc2cccc(Cl)c2)c(=O)[n-]1 ZINC000345113738 428758686 /nfs/dbraw/zinc/75/86/86/428758686.db2.gz AGNBHPIHEBQQPG-SNVBAGLBSA-N -1 3 319.792 2.639 20 0 DFADHM Cc1ncc(CNC(=O)c2cccc(-c3ccoc3)c2)c(=O)[n-]1 ZINC000345117096 428760091 /nfs/dbraw/zinc/76/00/91/428760091.db2.gz CMRRXYPHFAKWJA-UHFFFAOYSA-N -1 3 309.325 2.681 20 0 DFADHM COCc1cccc(NC(=O)c2[n-]nc3c2cccc3OC)c1 ZINC000345190774 428792702 /nfs/dbraw/zinc/79/27/02/428792702.db2.gz RCQRXPZSVOBHDW-UHFFFAOYSA-N -1 3 311.341 2.970 20 0 DFADHM COCc1cccc(NC(=O)c2n[n-]c3c2cccc3OC)c1 ZINC000345190774 428792705 /nfs/dbraw/zinc/79/27/05/428792705.db2.gz RCQRXPZSVOBHDW-UHFFFAOYSA-N -1 3 311.341 2.970 20 0 DFADHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000416618113 428761911 /nfs/dbraw/zinc/76/19/11/428761911.db2.gz COILWAVRAJFYSO-UHFFFAOYSA-N -1 3 323.817 2.961 20 0 DFADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)[C@H](C)O1 ZINC000416609594 428761976 /nfs/dbraw/zinc/76/19/76/428761976.db2.gz VLFFEQRJIAZFNO-KXUCPTDWSA-N -1 3 321.801 2.571 20 0 DFADHM Cc1ccc(C)c(SCC(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000345120301 428762066 /nfs/dbraw/zinc/76/20/66/428762066.db2.gz HBTDHNQDFDCCIF-UHFFFAOYSA-N -1 3 317.414 2.516 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416636819 428762565 /nfs/dbraw/zinc/76/25/65/428762565.db2.gz SLLDXUNPBZQUHG-NWDGAFQWSA-N -1 3 300.424 2.785 20 0 DFADHM Cc1cc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)ccc1[O-] ZINC000353886502 428763139 /nfs/dbraw/zinc/76/31/39/428763139.db2.gz GQLNROAEALBIKC-IBGZPJMESA-N -1 3 309.365 2.972 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CC12CC2)c1ccc(Br)s1 ZINC000416639421 428765296 /nfs/dbraw/zinc/76/52/96/428765296.db2.gz ARBDHNRNHCIWMW-ZETCQYMHSA-N -1 3 322.249 2.589 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@H](c3ccnn3C)C2)c([O-])c1 ZINC000374863800 428767999 /nfs/dbraw/zinc/76/79/99/428767999.db2.gz PMUUIDVEGRUFNC-AWEZNQCLSA-N -1 3 313.401 2.708 20 0 DFADHM CCOC(=O)CC(C)(C)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000353895432 428768154 /nfs/dbraw/zinc/76/81/54/428768154.db2.gz BJAXRVRLBQFZSS-UHFFFAOYSA-N -1 3 311.353 2.517 20 0 DFADHM Cc1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c(C2CC2)n1 ZINC000411291796 428773088 /nfs/dbraw/zinc/77/30/88/428773088.db2.gz 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ZMADXPOCYFSHRE-JTQLQIEISA-N -1 3 321.801 2.574 20 0 DFADHM CO[C@@](C)([C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1)C1CC1 ZINC000412583245 429064700 /nfs/dbraw/zinc/06/47/00/429064700.db2.gz GEEPANOWKBXMDK-DIFFPNOSSA-N -1 3 305.374 2.528 20 0 DFADHM COCc1c2ccccc2oc1C(=O)[N-]c1noc(C)c1C ZINC000452151395 429071690 /nfs/dbraw/zinc/07/16/90/429071690.db2.gz KRYAUNUVUYYTEK-UHFFFAOYSA-N -1 3 300.314 3.436 20 0 DFADHM C[C@@H]1C[C@@H](CNC(=O)CCCc2ccc([O-])c(F)c2)[C@@H](C)O1 ZINC000412668296 429079802 /nfs/dbraw/zinc/07/98/02/429079802.db2.gz ZXQCTNDFDFHWLY-BZPMIXESSA-N -1 3 309.381 2.784 20 0 DFADHM C[C@H](CC(=O)c1ccco1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000434297139 429080473 /nfs/dbraw/zinc/08/04/73/429080473.db2.gz DRIVGPPCOWLJHA-LLVKDONJSA-N -1 3 324.336 2.512 20 0 DFADHM COc1cc(C(=O)NC[C@@H](C)CC(F)(F)F)cc(OC)c1[O-] ZINC000412675968 429080847 /nfs/dbraw/zinc/08/08/47/429080847.db2.gz LVNHPQGXDGTCAW-QMMMGPOBSA-N -1 3 321.295 2.728 20 0 DFADHM C[C@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@@H](c2ccsc2)O1 ZINC000376241900 429082764 /nfs/dbraw/zinc/08/27/64/429082764.db2.gz ADLJERPEXZMYCD-KWQFWETISA-N -1 3 310.400 2.512 20 0 DFADHM COCc1nocc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000487199767 429143508 /nfs/dbraw/zinc/14/35/08/429143508.db2.gz MYXNVFCSMKSSQB-SNVBAGLBSA-N -1 3 302.330 2.681 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000435576216 429148076 /nfs/dbraw/zinc/14/80/76/429148076.db2.gz GCSHHIQVMZWKGY-HGNGGELXSA-N -1 3 310.279 2.812 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000435576216 429148079 /nfs/dbraw/zinc/14/80/79/429148079.db2.gz GCSHHIQVMZWKGY-HGNGGELXSA-N -1 3 310.279 2.812 20 0 DFADHM C[C@H]1N(C(=O)NCc2ccc([O-])c(F)c2)CCC12CCOCC2 ZINC000363965136 429148463 /nfs/dbraw/zinc/14/84/63/429148463.db2.gz DUYQKXCYBZNCSZ-GFCCVEGCSA-N -1 3 322.380 2.632 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc2cc[nH]c21 ZINC000364000519 429155569 /nfs/dbraw/zinc/15/55/69/429155569.db2.gz XLTDASPDGCAFLL-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc2cc[nH]c21 ZINC000364000519 429155575 /nfs/dbraw/zinc/15/55/75/429155575.db2.gz XLTDASPDGCAFLL-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=c1cc(CN[C@H](c2cc(F)ccc2F)C(F)F)occ1[O-] ZINC000434661332 429101663 /nfs/dbraw/zinc/10/16/63/429101663.db2.gz IBTBOAQOYBAZSM-CYBMUJFWSA-N -1 3 317.238 2.720 20 0 DFADHM Cc1nc(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)c(C)s1 ZINC000376403628 429108129 /nfs/dbraw/zinc/10/81/29/429108129.db2.gz ZXZHYEXCWNQRJM-UHFFFAOYSA-N -1 3 320.403 2.562 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000452424926 429111931 /nfs/dbraw/zinc/11/19/31/429111931.db2.gz RGSXVDYDOOTFMR-ZIAGYGMSSA-N -1 3 305.422 2.674 20 0 DFADHM Cc1nnc([N-][C@@H](c2cnn(C)c2)c2ccc(F)c(Cl)c2)o1 ZINC000376433228 429112490 /nfs/dbraw/zinc/11/24/90/429112490.db2.gz DATRQNFIJKBDIT-CYBMUJFWSA-N -1 3 321.743 3.106 20 0 DFADHM COc1ccc2c(c1)[C@H](C)CN(C(=O)c1csc(=O)[n-]1)CC2 ZINC000376450408 429114564 /nfs/dbraw/zinc/11/45/64/429114564.db2.gz TZKPEQZIEWZAQZ-SNVBAGLBSA-N -1 3 318.398 2.659 20 0 DFADHM COc1ccc2c(c1)[C@@H](C)CN(C(=O)c1csc(=O)[n-]1)CC2 ZINC000376450407 429115484 /nfs/dbraw/zinc/11/54/84/429115484.db2.gz TZKPEQZIEWZAQZ-JTQLQIEISA-N -1 3 318.398 2.659 20 0 DFADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424258371 429116338 /nfs/dbraw/zinc/11/63/38/429116338.db2.gz LVJKHGWZKSNWRN-OWCLPIDISA-N -1 3 324.465 2.743 20 0 DFADHM C[C@@H]1C[C@@H]([N-]c2nnc(C(F)F)s2)C(=O)N1c1ccccc1 ZINC000376527967 429130150 /nfs/dbraw/zinc/13/01/50/429130150.db2.gz SYRUSLREOQGTDE-PSASIEDQSA-N -1 3 324.356 3.082 20 0 DFADHM Cc1ccc(NC(=O)Cc2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000435396273 429138848 /nfs/dbraw/zinc/13/88/48/429138848.db2.gz XMQYBSLPMNEQDH-OAQYLSRUSA-N -1 3 303.383 2.619 20 0 DFADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Br)s1 ZINC000435922216 429171737 /nfs/dbraw/zinc/17/17/37/429171737.db2.gz IWCMCDPBSDHYBQ-LURJTMIESA-N -1 3 324.207 2.724 20 0 DFADHM Cc1ccc([C@H]2C[C@H]2C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000424768431 429189199 /nfs/dbraw/zinc/18/91/99/429189199.db2.gz HUHMMKVWGHKHCY-GHMZBOCLSA-N -1 3 324.306 2.552 20 0 DFADHM Cc1ccc([C@H]2C[C@H]2C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000424768431 429189205 /nfs/dbraw/zinc/18/92/05/429189205.db2.gz HUHMMKVWGHKHCY-GHMZBOCLSA-N -1 3 324.306 2.552 20 0 DFADHM Cc1ccc([C@H]2C[C@H]2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000424768431 429189209 /nfs/dbraw/zinc/18/92/09/429189209.db2.gz HUHMMKVWGHKHCY-GHMZBOCLSA-N -1 3 324.306 2.552 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3CCC[C@H](F)C3)[n-]c21 ZINC000424738351 429183071 /nfs/dbraw/zinc/18/30/71/429183071.db2.gz PDURSLPQHKZQEX-UWVGGRQHSA-N -1 3 319.336 2.816 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CCC[C@H](F)C3)nc21 ZINC000424738351 429183074 /nfs/dbraw/zinc/18/30/74/429183074.db2.gz PDURSLPQHKZQEX-UWVGGRQHSA-N -1 3 319.336 2.816 20 0 DFADHM Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000424768434 429188650 /nfs/dbraw/zinc/18/86/50/429188650.db2.gz HUHMMKVWGHKHCY-MNOVXSKESA-N -1 3 324.306 2.552 20 0 DFADHM Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000424768434 429188653 /nfs/dbraw/zinc/18/86/53/429188653.db2.gz HUHMMKVWGHKHCY-MNOVXSKESA-N -1 3 324.306 2.552 20 0 DFADHM Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000424768434 429188655 /nfs/dbraw/zinc/18/86/55/429188655.db2.gz HUHMMKVWGHKHCY-MNOVXSKESA-N -1 3 324.306 2.552 20 0 DFADHM CC[C@@H](Cc1ccccc1C)C(=O)NCc1cnc(C)[n-]c1=O ZINC000424770312 429188832 /nfs/dbraw/zinc/18/88/32/429188832.db2.gz ZKGCXPHFUDJJQH-AWEZNQCLSA-N -1 3 313.401 2.684 20 0 DFADHM CCc1cccc(-c2nc(CN(C(=O)OC)C3CC3)no2)c1[O-] ZINC000495437010 429209177 /nfs/dbraw/zinc/20/91/77/429209177.db2.gz BIFCZTPRCVCDFY-UHFFFAOYSA-N -1 3 317.345 2.735 20 0 DFADHM CC(C)(C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489070427 429217452 /nfs/dbraw/zinc/21/74/52/429217452.db2.gz IXFZSCUODXCBDK-UHFFFAOYSA-N -1 3 315.288 2.801 20 0 DFADHM CN1C[C@@H]2CCCN(C(=O)c3ccc4ccccc4c3[O-])[C@@H]2C1 ZINC000425058839 429228706 /nfs/dbraw/zinc/22/87/06/429228706.db2.gz PTOJOZAXILWERU-WMLDXEAASA-N -1 3 310.397 2.712 20 0 DFADHM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000488793813 429199439 /nfs/dbraw/zinc/19/94/39/429199439.db2.gz JFSWISVTTYJPJR-ZIAGYGMSSA-N -1 3 300.399 2.714 20 0 DFADHM CNc1nc(C)cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n1 ZINC000436708190 429201588 /nfs/dbraw/zinc/20/15/88/429201588.db2.gz QUVPJRHSMVHQLD-UHFFFAOYSA-N -1 3 314.389 3.082 20 0 DFADHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000490320104 429285459 /nfs/dbraw/zinc/28/54/59/429285459.db2.gz DUTQXRJESKEAAK-UHFFFAOYSA-N -1 3 303.742 2.859 20 0 DFADHM CSc1ccsc1C(=O)[N-]c1ncn(-c2cccnc2)n1 ZINC000364655022 429243848 /nfs/dbraw/zinc/24/38/48/429243848.db2.gz SPASVYSTKPLUSM-UHFFFAOYSA-N -1 3 317.399 2.698 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000364698932 429252277 /nfs/dbraw/zinc/25/22/77/429252277.db2.gz IGSYYFVZYWKEIZ-CYBMUJFWSA-N -1 3 323.352 2.535 20 0 DFADHM Cc1ccncc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000456199358 429256003 /nfs/dbraw/zinc/25/60/03/429256003.db2.gz VDGLHJZEFNOLED-UHFFFAOYSA-N -1 3 302.349 2.874 20 0 DFADHM COc1cc(C(=O)NC23CCC(CC2)CC3)cc(OC)c1[O-] ZINC000456270412 429267508 /nfs/dbraw/zinc/26/75/08/429267508.db2.gz FYUQCQDTQGLAGR-UHFFFAOYSA-N -1 3 305.374 2.862 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456277719 429269025 /nfs/dbraw/zinc/26/90/25/429269025.db2.gz HSNPQIPEXCCQIE-RDJZCZTQSA-N -1 3 308.381 2.789 20 0 DFADHM O=c1[n-]nc(CN2CCC[C@H](c3nc4ccccc4o3)C2)s1 ZINC000364959865 429270525 /nfs/dbraw/zinc/27/05/25/429270525.db2.gz YIKGKDXEUQSEJU-JTQLQIEISA-N -1 3 316.386 2.765 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000456292269 429271868 /nfs/dbraw/zinc/27/18/68/429271868.db2.gz APTZMQALOGCVFF-IJLUTSLNSA-N -1 3 309.793 2.669 20 0 DFADHM CCN(CCc1ccc(C(F)(F)F)cc1)Cc1n[nH]c(=O)[n-]1 ZINC000425552317 429321839 /nfs/dbraw/zinc/32/18/39/429321839.db2.gz PTDOHWTXUMVFQP-UHFFFAOYSA-N -1 3 314.311 2.594 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1CCC[C@@H](F)C1 ZINC000425592794 429326079 /nfs/dbraw/zinc/32/60/79/429326079.db2.gz VQLBSLNGNLZYCE-VHSXEESVSA-N -1 3 312.341 2.881 20 0 DFADHM CC(C)OC(=O)[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000456622503 429332259 /nfs/dbraw/zinc/33/22/59/429332259.db2.gz YBFARLFGKPPRBQ-NSHDSACASA-N -1 3 301.342 2.615 20 0 DFADHM O=C(NCc1ccc(-c2ccncc2)cc1)c1csc(=O)[n-]1 ZINC000365546309 429338042 /nfs/dbraw/zinc/33/80/42/429338042.db2.gz LCXZELNYUPUHBU-UHFFFAOYSA-N -1 3 311.366 2.841 20 0 DFADHM O=C(NC[C@@H]1C[C@]12CCCc1ccccc12)c1csc(=O)[n-]1 ZINC000365559775 429342195 /nfs/dbraw/zinc/34/21/95/429342195.db2.gz JGCCVKQQLWOITJ-YVEFUNNKSA-N -1 3 314.410 2.873 20 0 DFADHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccco1 ZINC000445741517 429290311 /nfs/dbraw/zinc/29/03/11/429290311.db2.gz JZPFPWQXTHROGL-UHFFFAOYSA-N -1 3 309.387 2.588 20 0 DFADHM CC(=O)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000365304092 429296046 /nfs/dbraw/zinc/29/60/46/429296046.db2.gz HKFDZYDBINILSP-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM CC(=O)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000365304092 429296050 /nfs/dbraw/zinc/29/60/50/429296050.db2.gz HKFDZYDBINILSP-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM CCc1cc(C(=O)NCc2cccc(-c3nc[nH]n3)c2)ccc1[O-] ZINC000365891402 429397964 /nfs/dbraw/zinc/39/79/64/429397964.db2.gz AVDREXHKKWTZLE-UHFFFAOYSA-N -1 3 322.368 2.670 20 0 DFADHM COc1cccc(CNCC[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000426629577 429404663 /nfs/dbraw/zinc/40/46/63/429404663.db2.gz RIBTWLQJDBUGMW-OAHLLOKOSA-N -1 3 314.385 2.513 20 0 DFADHM O=S(=O)([N-][C@@H]1CCc2cc(Cl)ccc21)c1cscn1 ZINC000517928501 429405748 /nfs/dbraw/zinc/40/57/48/429405748.db2.gz HHJSVNSVLQWDGC-LLVKDONJSA-N -1 3 314.819 2.762 20 0 DFADHM O=C([O-])[C@H](Cc1ccc(O)cc1)NCc1ccc(F)cc1Cl ZINC000426654992 429407024 /nfs/dbraw/zinc/40/70/24/429407024.db2.gz PWBHIGJVAWVNNW-HNNXBMFYSA-N -1 3 323.751 2.970 20 0 DFADHM CCOc1ccc(/C=C\C(=O)[N-]O[C@H]2CCCCO2)cc1OC ZINC000491398269 429356292 /nfs/dbraw/zinc/35/62/92/429356292.db2.gz BCKSHPIEXKLKHY-PXAMLJHWSA-N -1 3 321.373 2.682 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2nc3ccccc3s2)[n-]1 ZINC000491505579 429367910 /nfs/dbraw/zinc/36/79/10/429367910.db2.gz LELDPDWGUSMOGF-VOTSOKGWSA-N -1 3 317.399 2.788 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2nc3ccccc3s2)n1 ZINC000491505579 429367912 /nfs/dbraw/zinc/36/79/12/429367912.db2.gz LELDPDWGUSMOGF-VOTSOKGWSA-N -1 3 317.399 2.788 20 0 DFADHM CSc1nc(NC(=O)C=Cc2nc3ccccc3s2)n[n-]1 ZINC000491505579 429367915 /nfs/dbraw/zinc/36/79/15/429367915.db2.gz LELDPDWGUSMOGF-VOTSOKGWSA-N -1 3 317.399 2.788 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c(=O)[n-]1 ZINC000457019820 429379781 /nfs/dbraw/zinc/37/97/81/429379781.db2.gz WZYHHKDZFRUEOJ-MJVIPROJSA-N -1 3 305.422 2.673 20 0 DFADHM COC(=O)c1ccc(-c2nc(Cc3ccc4c(c3)CCC4)no2)[n-]1 ZINC000426427588 429389598 /nfs/dbraw/zinc/38/95/98/429389598.db2.gz OFMQFPUFPITJHJ-UHFFFAOYSA-N -1 3 323.352 2.931 20 0 DFADHM CC(C)Oc1cccc(/C=C/C(=O)NCc2ncccc2[O-])c1 ZINC000492000299 429447608 /nfs/dbraw/zinc/44/76/08/429447608.db2.gz LGDFRGQMBDUULS-CMDGGOBGSA-N -1 3 312.369 2.904 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(-c3cnccn3)cn2)c1[O-] ZINC000366427720 429451366 /nfs/dbraw/zinc/45/13/66/429451366.db2.gz HRUBGGOBILAADV-UHFFFAOYSA-N -1 3 306.325 2.805 20 0 DFADHM CSc1ccccc1CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000519221551 429451653 /nfs/dbraw/zinc/45/16/53/429451653.db2.gz BHZLGBQJMMATEK-GFCCVEGCSA-N -1 3 304.419 2.612 20 0 DFADHM CSCCO[N-]C(=O)/C=C\c1cccc(Br)c1 ZINC000492022170 429454506 /nfs/dbraw/zinc/45/45/06/429454506.db2.gz VLIXCIHOLAGQHF-WAYWQWQTSA-N -1 3 316.220 2.873 20 0 DFADHM Cc1cnc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000427802840 429471097 /nfs/dbraw/zinc/47/10/97/429471097.db2.gz ANGJXTBFAYZXIF-CXAGYDPISA-N -1 3 313.401 2.517 20 0 DFADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccnc(C)c3)cc2s1 ZINC000427771092 429468518 /nfs/dbraw/zinc/46/85/18/429468518.db2.gz NOCOSTCHKATAER-UHFFFAOYSA-N -1 3 319.411 2.531 20 0 DFADHM O=C([O-])[C@H](CN1CCCCC1)NCc1cc2cc(F)ccc2o1 ZINC000426758709 429414096 /nfs/dbraw/zinc/41/40/96/429414096.db2.gz JJQIUZSRVIBGJD-HNNXBMFYSA-N -1 3 320.364 2.601 20 0 DFADHM O=C([O-])[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccsc1 ZINC000426795974 429417431 /nfs/dbraw/zinc/41/74/31/429417431.db2.gz ZVILZGFOOACYBR-HNNXBMFYSA-N -1 3 317.414 2.659 20 0 DFADHM Cc1cnc([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)s1 ZINC000427027809 429429707 /nfs/dbraw/zinc/42/97/07/429429707.db2.gz CKXHTYRHKYYYLN-JTQLQIEISA-N -1 3 313.382 2.784 20 0 DFADHM CCCC(C)(C)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427152496 429434663 /nfs/dbraw/zinc/43/46/63/429434663.db2.gz KDWXNMUUKZEJRP-UHFFFAOYSA-N -1 3 301.394 2.945 20 0 DFADHM CCCC(C)(C)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427152496 429434670 /nfs/dbraw/zinc/43/46/70/429434670.db2.gz KDWXNMUUKZEJRP-UHFFFAOYSA-N -1 3 301.394 2.945 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000427140453 429435008 /nfs/dbraw/zinc/43/50/08/429435008.db2.gz RECFKOANEOXJRS-VIFPVBQESA-N -1 3 319.336 2.543 20 0 DFADHM O=C(NC[C@H]1CCCc2ccccc21)c1cc(F)cc2nn[n-]c21 ZINC000518881202 429437550 /nfs/dbraw/zinc/43/75/50/429437550.db2.gz GYAOFEDKRCTSAR-GFCCVEGCSA-N -1 3 324.359 2.947 20 0 DFADHM O=C(NC[C@H]1CCCc2ccccc21)c1cc(F)cc2[n-]nnc21 ZINC000518881202 429437555 /nfs/dbraw/zinc/43/75/55/429437555.db2.gz GYAOFEDKRCTSAR-GFCCVEGCSA-N -1 3 324.359 2.947 20 0 DFADHM O=C(NC[C@H]1CCCc2ccccc21)c1cc(F)cc2n[n-]nc21 ZINC000518881202 429437560 /nfs/dbraw/zinc/43/75/60/429437560.db2.gz GYAOFEDKRCTSAR-GFCCVEGCSA-N -1 3 324.359 2.947 20 0 DFADHM C/C=C(/C=C/C(=O)Nc1ccccc1[N-]S(C)(=O)=O)CC ZINC000492170461 429480467 /nfs/dbraw/zinc/48/04/67/429480467.db2.gz PAKDCEFOAOABFZ-QNKFPFBSSA-N -1 3 308.403 2.909 20 0 DFADHM C[C@H](CCCC(F)(F)F)NC(=O)c1ccc2n[n-]nc2c1 ZINC000427974615 429480447 /nfs/dbraw/zinc/48/04/47/429480447.db2.gz QJLFHDCTTZFYGK-MRVPVSSYSA-N -1 3 300.284 2.809 20 0 DFADHM CC(=O)N1CC[C@H](NC(=O)c2ccc(C)cc2[O-])c2ccccc21 ZINC000362732483 275773152 /nfs/dbraw/zinc/77/31/52/275773152.db2.gz CDCGFVWWCXSFLL-INIZCTEOSA-N -1 3 324.380 2.928 20 0 DFADHM COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1CCCCC(=O)[O-] ZINC000519772576 429486432 /nfs/dbraw/zinc/48/64/32/429486432.db2.gz LFOIFHNHOPSCPJ-LSDHHAIUSA-N -1 3 311.422 2.685 20 0 DFADHM Cn1nc(C(=O)Nc2c([O-])cccc2Cl)c2c1CCCC2 ZINC000520252160 429507054 /nfs/dbraw/zinc/50/70/54/429507054.db2.gz XTTIQWYDIFBSMP-UHFFFAOYSA-N -1 3 305.765 2.910 20 0 DFADHM COc1cc2c(cc1CN1CC[C@H](C)[C@H](C(=O)[O-])C1)O[C@@H](C)C2 ZINC000520406904 429512863 /nfs/dbraw/zinc/51/28/63/429512863.db2.gz UVCMYWCBBBALMK-SLEUVZQESA-N -1 3 319.401 2.561 20 0 DFADHM O=C1[N-]C(=O)c2cc(NCc3ccc(F)c4cccnc34)ccc21 ZINC000428349300 429513299 /nfs/dbraw/zinc/51/32/99/429513299.db2.gz LKZVOGMKNWFWBP-UHFFFAOYSA-N -1 3 321.311 2.870 20 0 DFADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1oncc1C(=O)[O-] ZINC000520416478 429515670 /nfs/dbraw/zinc/51/56/70/429515670.db2.gz DXGGIOHUTGKQGO-PWSUYJOCSA-N -1 3 304.321 2.890 20 0 DFADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCOC[C@@H](C2CCC2)C1 ZINC000520594005 429522116 /nfs/dbraw/zinc/52/21/16/429522116.db2.gz BWRWINVGHHEQSY-HOCLYGCPSA-N -1 3 307.365 2.700 20 0 DFADHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000449839481 429523453 /nfs/dbraw/zinc/52/34/53/429523453.db2.gz BRCXWRLASLEIQM-AAEUAGOBSA-N -1 3 318.352 2.755 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)n1 ZINC000520607876 429524150 /nfs/dbraw/zinc/52/41/50/429524150.db2.gz KKVSTAHWHLZEKU-AWEZNQCLSA-N -1 3 319.792 2.990 20 0 DFADHM CCC[C@H](CC(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000449848801 429524231 /nfs/dbraw/zinc/52/42/31/429524231.db2.gz GZQFTJIWHOGKAG-OAHLLOKOSA-N -1 3 315.421 2.945 20 0 DFADHM CCC[C@H](CC(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000449848801 429524233 /nfs/dbraw/zinc/52/42/33/429524233.db2.gz GZQFTJIWHOGKAG-OAHLLOKOSA-N -1 3 315.421 2.945 20 0 DFADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnnc3C)c2)n1 ZINC000366841728 429524237 /nfs/dbraw/zinc/52/42/37/429524237.db2.gz KKVLIMGQKUIWBC-UHFFFAOYSA-N -1 3 321.340 2.508 20 0 DFADHM O=c1[n-]nc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000366964430 429549457 /nfs/dbraw/zinc/54/94/57/429549457.db2.gz UBDXATDRWDBSNJ-MRVPVSSYSA-N -1 3 307.341 2.798 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1CCCO[C@H]1CC ZINC000428799655 429554781 /nfs/dbraw/zinc/55/47/81/429554781.db2.gz KHCWUORSCRSCJZ-QWRGUYRKSA-N -1 3 324.377 2.557 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H]1COc2ccc(Cl)cc21 ZINC000492517507 429555294 /nfs/dbraw/zinc/55/52/94/429555294.db2.gz FGPSNMZPHQEQEE-KHZFFFCDSA-N -1 3 316.744 2.704 20 0 DFADHM COCCN(Cc1cccs1)C(=O)/C=C/c1cncc([O-])c1 ZINC000492518513 429555636 /nfs/dbraw/zinc/55/56/36/429555636.db2.gz HDXJTUSXQYCOIF-SNAWJCMRSA-N -1 3 318.398 2.537 20 0 DFADHM COC(=O)c1cc(NC(=O)/C=C\c2cncc([O-])c2)ccc1C ZINC000492519541 429555700 /nfs/dbraw/zinc/55/57/00/429555700.db2.gz KGKVFZBQYLEIFU-XQRVVYSFSA-N -1 3 312.325 2.534 20 0 DFADHM CC(C)(C)[C@@H](NC(=O)/C=C\c1cncc([O-])c1)C(F)(F)F ZINC000492517521 429555844 /nfs/dbraw/zinc/55/58/44/429555844.db2.gz FIBPCFXLNDZKDE-QMAVJUDZSA-N -1 3 302.296 2.894 20 0 DFADHM COCCC1(CNC(=O)/C=C\c2cncc([O-])c2)CCCC1 ZINC000492522099 429557291 /nfs/dbraw/zinc/55/72/91/429557291.db2.gz RZUDJOUQKPDPHL-PLNGDYQASA-N -1 3 304.390 2.514 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)Nc1nc(-c2ccccn2)cs1 ZINC000492522786 429557763 /nfs/dbraw/zinc/55/77/63/429557763.db2.gz VESWBMKTCFBJRP-PLNGDYQASA-N -1 3 324.365 2.958 20 0 DFADHM CC(C)(C)n1ncnc1[N-]C(=O)C(=O)c1ccc(Cl)cc1 ZINC000283066485 275857875 /nfs/dbraw/zinc/85/78/75/275857875.db2.gz QAYOYOIYNTYZPV-UHFFFAOYSA-N -1 3 306.753 2.508 20 0 DFADHM O=C([O-])c1ccc2c(c1)CN(CCCC1CCOCC1)CC2 ZINC000521886818 429568959 /nfs/dbraw/zinc/56/89/59/429568959.db2.gz MZIPNOMTGZCUHH-UHFFFAOYSA-N -1 3 303.402 2.950 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000450129799 429570147 /nfs/dbraw/zinc/57/01/47/429570147.db2.gz KTVGDNVJUKDRLD-CQSZACIVSA-N -1 3 321.373 2.735 20 0 DFADHM COc1cc(/C=C/C(=O)[N-]OCC(F)F)ccc1OC(F)F ZINC000492605473 429576547 /nfs/dbraw/zinc/57/65/47/429576547.db2.gz SKUQOKQLGDGLLY-HWKANZROSA-N -1 3 323.242 2.623 20 0 DFADHM CCc1cc(C(=O)N[C@@H]2Cc3cccc(OC)c3C2)ccc1[O-] ZINC000458079596 429577047 /nfs/dbraw/zinc/57/70/47/429577047.db2.gz IUHFXIAFNZDWGP-OAHLLOKOSA-N -1 3 311.381 2.860 20 0 DFADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnn2ncccc12 ZINC000429096573 429578374 /nfs/dbraw/zinc/57/83/74/429578374.db2.gz PQQLEFHHKPQCLO-UHFFFAOYSA-N -1 3 319.324 2.945 20 0 DFADHM c1ccc2c(c1)CCN(CCCN=c1[n-]c(C3CCC3)no1)C2 ZINC000450238658 429583957 /nfs/dbraw/zinc/58/39/57/429583957.db2.gz BBQLFUQFTHDPGW-UHFFFAOYSA-N -1 3 312.417 2.619 20 0 DFADHM C[C@@H]([N-]c1nnc(C(F)F)o1)c1cccc(-n2cccn2)c1 ZINC000429195244 429586204 /nfs/dbraw/zinc/58/62/04/429586204.db2.gz VLFGZRLXIYZOKC-SECBINFHSA-N -1 3 305.288 3.366 20 0 DFADHM Cc1cc(/C=C/C(=O)[N-]O[C@H]2CCOC2)ccc1OC(C)C ZINC000492646393 429586580 /nfs/dbraw/zinc/58/65/80/429586580.db2.gz NGWRCWNMPHLOOU-ZKKXHLJNSA-N -1 3 305.374 2.632 20 0 DFADHM Cc1cc(/C=C\C(=O)[N-]O[C@@H]2CCOC2)ccc1OC(C)C ZINC000492646394 429587459 /nfs/dbraw/zinc/58/74/59/429587459.db2.gz NGWRCWNMPHLOOU-ZQMJAJRESA-N -1 3 305.374 2.632 20 0 DFADHM CC[C@H](CC1CCCCC1)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522261610 429587484 /nfs/dbraw/zinc/58/74/84/429587484.db2.gz UDFDNSRWBLOTCA-CABCVRRESA-N -1 3 307.438 2.611 20 0 DFADHM COCCC1(CNC(=O)/C=C\c2cncc([O-])c2)CCCCC1 ZINC000492658276 429587875 /nfs/dbraw/zinc/58/78/75/429587875.db2.gz YLRJAIPRRVLBEH-WAYWQWQTSA-N -1 3 318.417 2.904 20 0 DFADHM O=C(CCc1ncccn1)Nc1ccc(Br)cc1[O-] ZINC000520912890 429533132 /nfs/dbraw/zinc/53/31/32/429533132.db2.gz HPXOYYWNRFVXRK-UHFFFAOYSA-N -1 3 322.162 2.516 20 0 DFADHM CC1(CC(F)(F)F)CN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000520984136 429533680 /nfs/dbraw/zinc/53/36/80/429533680.db2.gz UKJITHYLIXHWGK-UHFFFAOYSA-N -1 3 316.258 2.512 20 0 DFADHM CC1(CC(F)(F)F)CN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000520984136 429533684 /nfs/dbraw/zinc/53/36/84/429533684.db2.gz UKJITHYLIXHWGK-UHFFFAOYSA-N -1 3 316.258 2.512 20 0 DFADHM CC1(CC(F)(F)F)CN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000520984136 429533687 /nfs/dbraw/zinc/53/36/87/429533687.db2.gz UKJITHYLIXHWGK-UHFFFAOYSA-N -1 3 316.258 2.512 20 0 DFADHM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492444597 429539079 /nfs/dbraw/zinc/53/90/79/429539079.db2.gz RGDDRKNCTMSPSV-ZYLKZGKVSA-N -1 3 324.380 2.655 20 0 DFADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)/C=C/c2cncc([O-])c2)CCO1 ZINC000492470613 429545459 /nfs/dbraw/zinc/54/54/59/429545459.db2.gz FZGJKJNFRWMZQB-GRJAPKLVSA-N -1 3 304.390 2.510 20 0 DFADHM Cc1cccc([C@@H]2CCCN2C(=O)/C=C\c2cncc([O-])c2)n1 ZINC000492477184 429546434 /nfs/dbraw/zinc/54/64/34/429546434.db2.gz UUVQKWBKNPHVMI-QWPQOLDESA-N -1 3 309.369 2.868 20 0 DFADHM CSc1cccc(F)c1CNC(=O)/C=C/c1cncc([O-])c1 ZINC000492799484 429618773 /nfs/dbraw/zinc/61/87/73/429618773.db2.gz VYXCYFGOIZNXFE-AATRIKPKSA-N -1 3 318.373 2.978 20 0 DFADHM Cc1ccc(NC(=O)/C=C\CN(C)CC(F)(F)F)c([O-])c1 ZINC000492843903 429627927 /nfs/dbraw/zinc/62/79/27/429627927.db2.gz WWLACYOCTCYQBN-ARJAWSKDSA-N -1 3 302.296 2.689 20 0 DFADHM Cc1cc2nc(NCc3nnc(C(F)(F)F)[n-]3)oc2c(C)c1 ZINC000450455175 429632113 /nfs/dbraw/zinc/63/21/13/429632113.db2.gz NMWUDYHUKPZKQC-UHFFFAOYSA-N -1 3 311.267 3.194 20 0 DFADHM Cc1cc2nc(NCc3n[n-]c(C(F)(F)F)n3)oc2c(C)c1 ZINC000450455175 429632119 /nfs/dbraw/zinc/63/21/19/429632119.db2.gz NMWUDYHUKPZKQC-UHFFFAOYSA-N -1 3 311.267 3.194 20 0 DFADHM Cc1cc2nc(NCc3nc(C(F)(F)F)n[n-]3)oc2c(C)c1 ZINC000450455175 429632125 /nfs/dbraw/zinc/63/21/25/429632125.db2.gz NMWUDYHUKPZKQC-UHFFFAOYSA-N -1 3 311.267 3.194 20 0 DFADHM OCc1nnc([N-]Cc2ccc(-c3ccccc3Cl)s2)o1 ZINC000429824778 429633766 /nfs/dbraw/zinc/63/37/66/429633766.db2.gz FBTVQPIIWMAKQB-UHFFFAOYSA-N -1 3 321.789 3.556 20 0 DFADHM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCCOC1 ZINC000429871040 429637970 /nfs/dbraw/zinc/63/79/70/429637970.db2.gz YSDFLUJRJUDCAB-GFCCVEGCSA-N -1 3 324.229 2.841 20 0 DFADHM COc1c(C)cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000367385439 429638521 /nfs/dbraw/zinc/63/85/21/429638521.db2.gz XQNNGYQPJBVHMY-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM COc1c(C)cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000367385439 429638524 /nfs/dbraw/zinc/63/85/24/429638524.db2.gz XQNNGYQPJBVHMY-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM CCCc1nnc([N-]C(=O)c2ncccc2OC(C)C)s1 ZINC000429929648 429640834 /nfs/dbraw/zinc/64/08/34/429640834.db2.gz TZHDHZVAMLGDSA-UHFFFAOYSA-N -1 3 306.391 2.925 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)Nc1nc2c(s1)CSCC2 ZINC000492916367 429643637 /nfs/dbraw/zinc/64/36/37/429643637.db2.gz ATRFTGVMPNCRFL-UPHRSURJSA-N -1 3 319.411 2.685 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)s1 ZINC000430019702 429645892 /nfs/dbraw/zinc/64/58/92/429645892.db2.gz FOLNBSJMVFSGNC-QWHCGFSZSA-N -1 3 308.428 2.594 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)cn1 ZINC000430060993 429648140 /nfs/dbraw/zinc/64/81/40/429648140.db2.gz OOEHADFAOWVJRE-UHFFFAOYSA-N -1 3 320.267 2.747 20 0 DFADHM Cc1ccc(C(=O)Nc2cnn(C)c2-c2ccccn2)c([O-])c1 ZINC000367445803 429649193 /nfs/dbraw/zinc/64/91/93/429649193.db2.gz XEBZSSOJVFHOSA-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM COCC(C)(C)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000429245563 429590663 /nfs/dbraw/zinc/59/06/63/429590663.db2.gz OZADAVGTOHCQNN-UHFFFAOYSA-N -1 3 315.373 2.938 20 0 DFADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(-c2cccnc2)ccc1C ZINC000367179174 429592138 /nfs/dbraw/zinc/59/21/38/429592138.db2.gz MWDRMKWBMDKWTH-ZDUSSCGKSA-N -1 3 320.414 2.834 20 0 DFADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)/C=C/c1cncc([O-])c1 ZINC000492734068 429604015 /nfs/dbraw/zinc/60/40/15/429604015.db2.gz ILVHZDOXWBIXIO-FYDKOMJYSA-N -1 3 314.307 2.990 20 0 DFADHM CCn1c2ccccc2c2cc(/C=C\C(=O)[N-]OCCO)ccc21 ZINC000492748134 429606725 /nfs/dbraw/zinc/60/67/25/429606725.db2.gz WUGNOVDTBWIBCZ-NTMALXAHSA-N -1 3 324.380 2.868 20 0 DFADHM O=c1[n-]nc(CN2CCC(OCc3ccc(F)cc3)CC2)s1 ZINC000367457697 429652240 /nfs/dbraw/zinc/65/22/40/429652240.db2.gz HNIGUFFKFXUWLG-UHFFFAOYSA-N -1 3 323.393 2.564 20 0 DFADHM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(O)cc1[O-] ZINC000367548402 429669512 /nfs/dbraw/zinc/66/95/12/429669512.db2.gz CCISYEBWPSQUHH-GUYCJALGSA-N -1 3 313.353 2.605 20 0 DFADHM Cc1c2ccc(NC(=O)/C=C/c3cncc([O-])c3)cc2nn1C ZINC000493012656 429667392 /nfs/dbraw/zinc/66/73/92/429667392.db2.gz DOKCXTMBYBJLLV-ZZXKWVIFSA-N -1 3 308.341 2.634 20 0 DFADHM COCCCn1c(=O)[n-]nc1SC[C@H]1CCCCC1(F)F ZINC000450703108 429681087 /nfs/dbraw/zinc/68/10/87/429681087.db2.gz JJJXXFRZUXBYCE-SNVBAGLBSA-N -1 3 321.393 2.938 20 0 DFADHM COCCCn1c(=O)[n-]nc1SCc1cc(C)ccc1F ZINC000450700662 429681534 /nfs/dbraw/zinc/68/15/34/429681534.db2.gz FARPJLGDOIZFMO-UHFFFAOYSA-N -1 3 311.382 2.760 20 0 DFADHM CC(=O)c1cccc(NC(=O)/C=C/COCC(F)(F)F)c1[O-] ZINC000493071689 429683128 /nfs/dbraw/zinc/68/31/28/429683128.db2.gz PGLXPHDQTPTETP-ZZXKWVIFSA-N -1 3 317.263 2.668 20 0 DFADHM O=C(NCc1ncc(-c2ccccc2)o1)c1cccc2nn[n-]c21 ZINC000527357138 429745617 /nfs/dbraw/zinc/74/56/17/429745617.db2.gz RCJBWQWDZKHYBY-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM O=C(NCc1ncc(-c2ccccc2)o1)c1cccc2[n-]nnc21 ZINC000527357138 429745620 /nfs/dbraw/zinc/74/56/20/429745620.db2.gz RCJBWQWDZKHYBY-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM O=C(NCc1ncc(-c2ccccc2)o1)c1cccc2n[n-]nc21 ZINC000527357138 429745627 /nfs/dbraw/zinc/74/56/27/429745627.db2.gz RCJBWQWDZKHYBY-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM CCSc1cc(CNC(=O)Cc2ccc([O-])c(F)c2)ccn1 ZINC000450805927 429703379 /nfs/dbraw/zinc/70/33/79/429703379.db2.gz PNHGVXHXZKKIAU-UHFFFAOYSA-N -1 3 320.389 2.897 20 0 DFADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)N(C)CCCC(=O)[O-] ZINC000430654906 429707774 /nfs/dbraw/zinc/70/77/74/429707774.db2.gz CGEZSEATZUKLHD-CYBMUJFWSA-N -1 3 320.433 2.935 20 0 DFADHM CCc1cc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)oc1CC ZINC000464645269 429708081 /nfs/dbraw/zinc/70/80/81/429708081.db2.gz 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CCc1ccc(CNC(=O)c2cc(F)cc3[n-]nnc32)s1 ZINC000431750961 429781543 /nfs/dbraw/zinc/78/15/43/429781543.db2.gz OZXBIAZNEOAHGL-UHFFFAOYSA-N -1 3 304.350 2.651 20 0 DFADHM CCc1ccc(CNC(=O)c2cc(F)cc3n[n-]nc32)s1 ZINC000431750961 429781544 /nfs/dbraw/zinc/78/15/44/429781544.db2.gz OZXBIAZNEOAHGL-UHFFFAOYSA-N -1 3 304.350 2.651 20 0 DFADHM O=C(NCCc1cc2ccccc2o1)c1cc(F)cc2nn[n-]c21 ZINC000431793903 429783746 /nfs/dbraw/zinc/78/37/46/429783746.db2.gz IJOMEJCRXYOCMO-UHFFFAOYSA-N -1 3 324.315 2.816 20 0 DFADHM O=C(NCCc1cc2ccccc2o1)c1cc(F)cc2[n-]nnc21 ZINC000431793903 429783749 /nfs/dbraw/zinc/78/37/49/429783749.db2.gz IJOMEJCRXYOCMO-UHFFFAOYSA-N -1 3 324.315 2.816 20 0 DFADHM O=C(NCCc1cc2ccccc2o1)c1cc(F)cc2n[n-]nc21 ZINC000431793903 429783752 /nfs/dbraw/zinc/78/37/52/429783752.db2.gz IJOMEJCRXYOCMO-UHFFFAOYSA-N -1 3 324.315 2.816 20 0 DFADHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451197025 429786030 /nfs/dbraw/zinc/78/60/30/429786030.db2.gz XSEYQCZLYSDNDM-ZDUSSCGKSA-N -1 3 316.492 2.599 20 0 DFADHM CCOc1ccc(N(CC)C(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000431892941 429788706 /nfs/dbraw/zinc/78/87/06/429788706.db2.gz ZLZHXJONTVPAPS-UHFFFAOYSA-N -1 3 316.357 2.867 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@@](C)(O)CCC(C)C)c1 ZINC000451239604 429794200 /nfs/dbraw/zinc/79/42/00/429794200.db2.gz WTNPIBFAQKQWIY-ZDUSSCGKSA-N -1 3 305.465 2.522 20 0 DFADHM CC(C)Cn1cc(C(=O)NCc2ncccc2[O-])c(C(F)F)n1 ZINC000451345807 429815298 /nfs/dbraw/zinc/81/52/98/429815298.db2.gz SHYCTOYHSNNGLP-UHFFFAOYSA-N -1 3 324.331 2.507 20 0 DFADHM CCOc1nc2cc(C(=O)N(C)Cc3cnccc3C)ccc2[n-]1 ZINC000451358541 429816805 /nfs/dbraw/zinc/81/68/05/429816805.db2.gz JARDAKXDHKZNPZ-UHFFFAOYSA-N -1 3 324.384 2.937 20 0 DFADHM CCOc1nc2ccc(C(=O)N(C)Cc3cnccc3C)cc2[n-]1 ZINC000451358541 429816808 /nfs/dbraw/zinc/81/68/08/429816808.db2.gz JARDAKXDHKZNPZ-UHFFFAOYSA-N -1 3 324.384 2.937 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCOC[C@H]1c1ccco1 ZINC000368266737 429819025 /nfs/dbraw/zinc/81/90/25/429819025.db2.gz XTCSLNPGTDTPCE-ZDUSSCGKSA-N -1 3 307.733 2.852 20 0 DFADHM O=C(/C=C/c1c(Cl)nc2sccn12)[N-]OC/C=C\Cl ZINC000493742488 429819900 /nfs/dbraw/zinc/81/99/00/429819900.db2.gz SVVKZLHJFBVRIB-NAOWAUKJSA-N -1 3 318.185 2.863 20 0 DFADHM CCC[C@H](CC)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000368276530 429822369 /nfs/dbraw/zinc/82/23/69/429822369.db2.gz KPWFTQNJHOCMMO-DZGCQCFKSA-N -1 3 318.417 2.692 20 0 DFADHM CNC(=O)c1ccc(/C=C/C(=O)[N-]O[C@H](C)c2ccccc2)cc1 ZINC000493750290 429822524 /nfs/dbraw/zinc/82/25/24/429822524.db2.gz GRTYDUVIDWWTSH-JWAFFJSPSA-N -1 3 324.380 2.868 20 0 DFADHM COc1ccc(/C=C\C(=O)Nc2cc(F)ccc2[O-])cc1O ZINC000493796765 429831447 /nfs/dbraw/zinc/83/14/47/429831447.db2.gz VZXQRRRCKHXAPW-CLTKARDFSA-N -1 3 303.289 2.897 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)n[n-]1 ZINC000528136943 429852825 /nfs/dbraw/zinc/85/28/25/429852825.db2.gz DLYGMMZEMBNXMG-BIGNPOOSSA-N -1 3 312.373 2.711 20 0 DFADHM CCC[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)OC ZINC000451641412 429864463 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/nfs/dbraw/zinc/12/01/15/430120115.db2.gz WRACNVKMSUGREQ-ZDUSSCGKSA-N -1 3 324.384 2.683 20 0 DFADHM C[C@@H](CCOCc1ccccc1)NC(=O)c1cccc2[n-]nnc21 ZINC000562336597 430120118 /nfs/dbraw/zinc/12/01/18/430120118.db2.gz WRACNVKMSUGREQ-ZDUSSCGKSA-N -1 3 324.384 2.683 20 0 DFADHM C[C@@H](CCOCc1ccccc1)NC(=O)c1cccc2n[n-]nc21 ZINC000562336597 430120122 /nfs/dbraw/zinc/12/01/22/430120122.db2.gz WRACNVKMSUGREQ-ZDUSSCGKSA-N -1 3 324.384 2.683 20 0 DFADHM C[C@@H](CNC(=O)C(C)(C)CCC(=O)[O-])N(C)Cc1ccccc1 ZINC000634822185 430123198 /nfs/dbraw/zinc/12/31/98/430123198.db2.gz PFBRXLSXIMDBQV-AWEZNQCLSA-N -1 3 320.433 2.514 20 0 DFADHM O=c1[n-]c(=O)n(CCCOc2ccc(Cl)cc2)cc1Cl ZINC000530774604 430123855 /nfs/dbraw/zinc/12/38/55/430123855.db2.gz RWSABDWGEMWCSI-UHFFFAOYSA-N -1 3 315.156 2.725 20 0 DFADHM CN(C)C(=O)c1ccc([N-]C(=O)c2cc(C3CC3)no2)c(F)c1 ZINC000637767494 430128799 /nfs/dbraw/zinc/12/87/99/430128799.db2.gz OWDYIVVBCWQHAJ-UHFFFAOYSA-N -1 3 317.320 2.645 20 0 DFADHM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000634844037 430131519 /nfs/dbraw/zinc/13/15/19/430131519.db2.gz BKQBTFZATSREIV-DYVFJYSZSA-N -1 3 312.454 2.503 20 0 DFADHM COc1nc2ccccc2cc1CN[C@H](CC(C)C)C(=O)[O-] ZINC000563397069 430188061 /nfs/dbraw/zinc/18/80/61/430188061.db2.gz RTDNVYAWVCYVCI-OAHLLOKOSA-N -1 3 302.374 2.832 20 0 DFADHM Cc1cc(Br)c2c(c1)CN([C@@H](C(=O)[O-])C1CC1)CC2 ZINC000635015234 430198138 /nfs/dbraw/zinc/19/81/38/430198138.db2.gz CRBKZWNNYUEMGZ-CQSZACIVSA-N -1 3 324.218 2.979 20 0 DFADHM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1nc(C)ccc1[O-] ZINC000542462289 430210926 /nfs/dbraw/zinc/21/09/26/430210926.db2.gz WLYFQLNVFBYDQH-LLVKDONJSA-N -1 3 314.341 2.609 20 0 DFADHM COC(=O)[C@@H](NC(=O)c1ccc([O-])c(C)c1)C1CCCCC1 ZINC000542784461 430223943 /nfs/dbraw/zinc/22/39/43/430223943.db2.gz KBNRJFXRTIWPBI-HNNXBMFYSA-N -1 3 305.374 2.552 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000565752155 430224469 /nfs/dbraw/zinc/22/44/69/430224469.db2.gz TVXKIVDMKWPFJK-GFCCVEGCSA-N -1 3 310.332 2.727 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000565752155 430224475 /nfs/dbraw/zinc/22/44/75/430224475.db2.gz TVXKIVDMKWPFJK-GFCCVEGCSA-N -1 3 310.332 2.727 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000565752155 430224477 /nfs/dbraw/zinc/22/44/77/430224477.db2.gz TVXKIVDMKWPFJK-GFCCVEGCSA-N -1 3 310.332 2.727 20 0 DFADHM CCC(C)(C)[C@H](O)C(=O)Nc1ccc(Br)cc1[O-] ZINC000635276519 430242699 /nfs/dbraw/zinc/24/26/99/430242699.db2.gz FKCCKQUXHJWYQG-LLVKDONJSA-N -1 3 316.195 2.890 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CNCCCSc1ccc(F)cc1 ZINC000635302712 430248345 /nfs/dbraw/zinc/24/83/45/430248345.db2.gz DZFLLGWOKQWBQS-UHFFFAOYSA-N -1 3 323.393 2.529 20 0 DFADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cc(C(=O)[O-])nn1C ZINC000635302761 430248651 /nfs/dbraw/zinc/24/86/51/430248651.db2.gz OIGSNXNMLPIZRM-AAEUAGOBSA-N -1 3 317.364 2.635 20 0 DFADHM Cc1ccc(-c2noc(CN(CCC(=O)[O-])CC(C)C)n2)cc1 ZINC000581889619 430248765 /nfs/dbraw/zinc/24/87/65/430248765.db2.gz FFRDAQMTJOVOOI-UHFFFAOYSA-N -1 3 317.389 2.978 20 0 DFADHM CC[C@H](Cc1ccccc1)N(CC)Cc1cc(C(=O)[O-])nn1C ZINC000635303958 430249065 /nfs/dbraw/zinc/24/90/65/430249065.db2.gz ZKGGWKMRXDWBFJ-OAHLLOKOSA-N -1 3 315.417 2.962 20 0 DFADHM CCCN(Cc1cc(C(=O)[O-])nn1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000635303695 430249283 /nfs/dbraw/zinc/24/92/83/430249283.db2.gz XTSDNCUSAYWHHJ-HUUCEWRRSA-N -1 3 323.437 2.534 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CNCC1(c2ccc(Cl)cc2)CC1 ZINC000635306465 430251160 /nfs/dbraw/zinc/25/11/60/430251160.db2.gz VGOSUMFHWZTNLC-UHFFFAOYSA-N -1 3 319.792 2.593 20 0 DFADHM Cc1ccc(CS(=O)(=O)[N-]c2cc3c(cn2)CCC3)cc1 ZINC000581984473 430255702 /nfs/dbraw/zinc/25/57/02/430255702.db2.gz RAPVHGBAOBVTQR-UHFFFAOYSA-N -1 3 302.399 2.821 20 0 DFADHM C[C@H](CN(C)CCOc1ccccc1C(=O)[O-])c1nccs1 ZINC000566362096 430256302 /nfs/dbraw/zinc/25/63/02/430256302.db2.gz PPVDYVBSUVDDMK-GFCCVEGCSA-N -1 3 320.414 2.956 20 0 DFADHM CCc1ncc(C(=O)[N-]c2nnc(C3CCOCC3)s2)s1 ZINC000582082212 430268230 /nfs/dbraw/zinc/26/82/30/430268230.db2.gz BGFRLKSMMCGVMJ-UHFFFAOYSA-N -1 3 324.431 2.703 20 0 DFADHM CSc1ccc(CCNC(=O)c2cccc3nn[n-]c32)cc1 ZINC000582160239 430273322 /nfs/dbraw/zinc/27/33/22/430273322.db2.gz JIVPKCMPKSEBGS-UHFFFAOYSA-N -1 3 312.398 2.652 20 0 DFADHM CSc1ccc(CCNC(=O)c2cccc3[n-]nnc32)cc1 ZINC000582160239 430273324 /nfs/dbraw/zinc/27/33/24/430273324.db2.gz JIVPKCMPKSEBGS-UHFFFAOYSA-N -1 3 312.398 2.652 20 0 DFADHM CSc1ccc(CCNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000582160239 430273327 /nfs/dbraw/zinc/27/33/27/430273327.db2.gz JIVPKCMPKSEBGS-UHFFFAOYSA-N -1 3 312.398 2.652 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC(Cc2nccs2)CC1 ZINC000640885686 430275838 /nfs/dbraw/zinc/27/58/38/430275838.db2.gz DAOQPZOBWUURLM-UHFFFAOYSA-N -1 3 318.398 2.649 20 0 DFADHM CC(C)C[C@@H]1COCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265004769 277456473 /nfs/dbraw/zinc/45/64/73/277456473.db2.gz DSRQLIHWYGZOGT-CYBMUJFWSA-N -1 3 314.385 2.828 20 0 DFADHM Cc1ccc(CCN(CCOCC(=O)[O-])Cc2ccco2)cc1 ZINC000566072970 430238967 /nfs/dbraw/zinc/23/89/67/430238967.db2.gz BMLIYUNQOMCVIT-UHFFFAOYSA-N -1 3 317.385 2.734 20 0 DFADHM Cc1ccccc1-c1noc([C@H](C)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000566075161 430239217 /nfs/dbraw/zinc/23/92/17/430239217.db2.gz WYVDSJSXYVIIDI-SJCJKPOMSA-N -1 3 315.373 2.903 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(CCO)CC1 ZINC000544554944 430286050 /nfs/dbraw/zinc/28/60/50/430286050.db2.gz XJXGSVDVCUTHRL-UHFFFAOYSA-N -1 3 303.402 2.506 20 0 DFADHM CC[C@@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)CC[C@@H]1c1ccccc1 ZINC000544847732 430295479 /nfs/dbraw/zinc/29/54/79/430295479.db2.gz XKGVHOQUEVMHGA-OCCSQVGLSA-N -1 3 322.416 2.737 20 0 DFADHM CC[C@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)CC[C@@H]1c1ccccc1 ZINC000544847731 430295908 /nfs/dbraw/zinc/29/59/08/430295908.db2.gz XKGVHOQUEVMHGA-JSGCOSHPSA-N -1 3 322.416 2.737 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-]CCCc2cccs2)s1 ZINC000545183827 430305392 /nfs/dbraw/zinc/30/53/92/430305392.db2.gz HZVHAWJIIYLUNZ-UHFFFAOYSA-N -1 3 316.473 2.678 20 0 DFADHM C[C@@H]1c2ccccc2CCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582495388 430306090 /nfs/dbraw/zinc/30/60/90/430306090.db2.gz HFYIIXRYWKGBJS-LLVKDONJSA-N -1 3 309.369 2.819 20 0 DFADHM C[C@H]1c2ccccc2CCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582495389 430307411 /nfs/dbraw/zinc/30/74/11/430307411.db2.gz HFYIIXRYWKGBJS-NSHDSACASA-N -1 3 309.369 2.819 20 0 DFADHM Cn1nccc1C1CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000568060765 430311419 /nfs/dbraw/zinc/31/14/19/430311419.db2.gz NSOKYNGHBXAPLD-INIZCTEOSA-N -1 3 317.364 2.565 20 0 DFADHM CC(C)(C)Oc1cccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)n1 ZINC000568058856 430311810 /nfs/dbraw/zinc/31/18/10/430311810.db2.gz IIAJCRPFFRUMOD-CQSZACIVSA-N -1 3 318.417 2.946 20 0 DFADHM CC1(CS(=O)(=O)Cc2cc(=O)[n-]c(C3CC3)n2)CCCCC1 ZINC000582593282 430313665 /nfs/dbraw/zinc/31/36/65/430313665.db2.gz HXFZZTQXZZQWEL-UHFFFAOYSA-N -1 3 324.446 2.945 20 0 DFADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1csc(=O)[n-]1 ZINC000545308598 430314937 /nfs/dbraw/zinc/31/49/37/430314937.db2.gz HVTBMLAVKOCZNX-UHFFFAOYSA-N -1 3 308.790 2.964 20 0 DFADHM O=C(NC1(c2nccs2)CCCC1)c1cc(F)c[n-]c1=O ZINC000635586255 430316137 /nfs/dbraw/zinc/31/61/37/430316137.db2.gz GFLSKIJHAQQWIA-UHFFFAOYSA-N -1 3 307.350 2.582 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000582674748 430323256 /nfs/dbraw/zinc/32/32/56/430323256.db2.gz WRULGEHMUNVAQX-SNVBAGLBSA-N -1 3 319.336 2.543 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000582674748 430323258 /nfs/dbraw/zinc/32/32/58/430323258.db2.gz WRULGEHMUNVAQX-SNVBAGLBSA-N -1 3 319.336 2.543 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)CCCc1ccccc1Cl ZINC000568172803 430324656 /nfs/dbraw/zinc/32/46/56/430324656.db2.gz AJOHSENPPAAMQC-UHFFFAOYSA-N -1 3 321.764 2.811 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)CCCc1ccccc1Cl ZINC000568172803 430324658 /nfs/dbraw/zinc/32/46/58/430324658.db2.gz AJOHSENPPAAMQC-UHFFFAOYSA-N -1 3 321.764 2.811 20 0 DFADHM CCc1cccc(C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000545954028 430337272 /nfs/dbraw/zinc/33/72/72/430337272.db2.gz YLTVBJJGKPZHKC-AEFFLSMTSA-N -1 3 303.402 2.890 20 0 DFADHM Cc1ccc(CC(C)(C)[N-]S(=O)(=O)c2cscn2)cc1 ZINC000568260904 430342534 /nfs/dbraw/zinc/34/25/34/430342534.db2.gz IRPJUJZYSOPLDN-UHFFFAOYSA-N -1 3 310.444 2.751 20 0 DFADHM Cn1ccnc1[C@@H]([N-]c1noc(C(C)(C)C)n1)c1ccccc1 ZINC000546038759 430344126 /nfs/dbraw/zinc/34/41/26/430344126.db2.gz MNTFDPBJFNBDPP-ZDUSSCGKSA-N -1 3 311.389 3.302 20 0 DFADHM CC(C)=C(C)CC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000635925488 430412698 /nfs/dbraw/zinc/41/26/98/430412698.db2.gz AGOPZARCYJUJPS-STQMWFEESA-N -1 3 319.405 2.613 20 0 DFADHM CC(=O)c1cccc(NC(=O)[C@H]2CCN2C2CCCC2)c1[O-] ZINC000635929027 430413173 /nfs/dbraw/zinc/41/31/73/430413173.db2.gz DDOSHSBEOOOMQG-OAHLLOKOSA-N -1 3 302.374 2.550 20 0 DFADHM O=C([O-])c1cccc(OCCN2CC[C@@H](c3cccnc3)C2)c1 ZINC000569011303 430415977 /nfs/dbraw/zinc/41/59/77/430415977.db2.gz YUNGVFZYTDCABA-MRXNPFEDSA-N -1 3 312.369 2.648 20 0 DFADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000583087393 430362818 /nfs/dbraw/zinc/36/28/18/430362818.db2.gz TWNQRLXMBXOJES-NSHDSACASA-N -1 3 323.343 2.836 20 0 DFADHM O=C(c1csc(=O)[n-]1)N(Cc1cccc(O)c1)CC1CC1 ZINC000546722082 430365327 /nfs/dbraw/zinc/36/53/27/430365327.db2.gz VDIUALNKBKJLDP-UHFFFAOYSA-N -1 3 304.371 2.607 20 0 DFADHM CCc1ccc([C@@H]2CCCN2C(=O)Cc2cncc([O-])c2)o1 ZINC000568531400 430368585 /nfs/dbraw/zinc/36/85/85/430368585.db2.gz CJVXVAPXNSJETO-HNNXBMFYSA-N -1 3 300.358 2.849 20 0 DFADHM CCC(C)(C)c1nnc([N-]CC(=O)Nc2c(C)cccc2C)o1 ZINC000641279848 430374874 /nfs/dbraw/zinc/37/48/74/430374874.db2.gz SXPKSZCVYGHSMK-UHFFFAOYSA-N -1 3 316.405 3.425 20 0 DFADHM CN(CCCSc1nc2nncc-2c(O)[n-]1)c1ccccc1 ZINC000568632772 430378129 /nfs/dbraw/zinc/37/81/29/430378129.db2.gz ZUMJUEZNWVZBQO-UHFFFAOYSA-N -1 3 315.402 2.677 20 0 DFADHM O=C([O-])[C@H](c1cccnc1)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000568664724 430381780 /nfs/dbraw/zinc/38/17/80/430381780.db2.gz RKPPCEQTYIEPFY-HKUYNNGSSA-N -1 3 324.380 2.677 20 0 DFADHM Cc1sc(N2CCN(CC3CCCCC3)CC2)nc1C(=O)[O-] ZINC000583324873 430383857 /nfs/dbraw/zinc/38/38/57/430383857.db2.gz OPFFXCFRXFJYKW-UHFFFAOYSA-N -1 3 323.462 2.852 20 0 DFADHM C[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1(F)F ZINC000547307454 430385240 /nfs/dbraw/zinc/38/52/40/430385240.db2.gz FVRRXSQDZAIZBE-SSDLBLMSSA-N -1 3 306.106 2.994 20 0 DFADHM Cn1cc(C(C)(C)NC(=O)c2cc3c(cc2[O-])CCCC3)cn1 ZINC000547412875 430390654 /nfs/dbraw/zinc/39/06/54/430390654.db2.gz DLAPUMLSNYUYBM-UHFFFAOYSA-N -1 3 313.401 2.670 20 0 DFADHM CC(C)OCc1ccccc1CNC(=O)Cc1cncc([O-])c1 ZINC000568767949 430391275 /nfs/dbraw/zinc/39/12/75/430391275.db2.gz BCGCWWQXRLOZAI-UHFFFAOYSA-N -1 3 314.385 2.571 20 0 DFADHM COc1cnccc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000583396735 430392215 /nfs/dbraw/zinc/39/22/15/430392215.db2.gz MMHVSUQUEZLZEH-UHFFFAOYSA-N -1 3 308.337 2.879 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])[nH]1 ZINC000583477413 430396883 /nfs/dbraw/zinc/39/68/83/430396883.db2.gz RXUFCJKRUAETQX-UHFFFAOYSA-N -1 3 323.146 2.938 20 0 DFADHM COCCCn1c(=O)[n-]nc1SCc1ccc(C)c(OC)c1 ZINC000641418510 430398007 /nfs/dbraw/zinc/39/80/07/430398007.db2.gz BPUQCIYMCPLVLP-UHFFFAOYSA-N -1 3 323.418 2.630 20 0 DFADHM CCC(C)(C)c1nnc([N-][C@@H](c2ccccc2F)[C@H](C)O)o1 ZINC000641649790 430434917 /nfs/dbraw/zinc/43/49/17/430434917.db2.gz JZWWYQIHYQCLLN-GXFFZTMASA-N -1 3 307.369 3.430 20 0 DFADHM CCO[C@@H]1C[C@@H](N(C)Cc2oncc2C(=O)[O-])C12CCCCC2 ZINC000569251029 430437261 /nfs/dbraw/zinc/43/72/61/430437261.db2.gz GLGIEAMUQNTYFK-HUUCEWRRSA-N -1 3 322.405 2.933 20 0 DFADHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(Oc2ccccc2)nn1 ZINC000583877787 430437591 /nfs/dbraw/zinc/43/75/91/430437591.db2.gz XXRIOWVUVSJWQE-SWLSCSKDSA-N -1 3 313.357 2.564 20 0 DFADHM COCC1(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)CC1 ZINC000641679184 430440611 /nfs/dbraw/zinc/44/06/11/430440611.db2.gz IYHDZWUVLVJEPP-UHFFFAOYSA-N -1 3 317.410 2.859 20 0 DFADHM O=C(Cn1cnc2c1CCCC2)Nc1c([O-])cccc1Cl ZINC000569708859 430480978 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CCc1ccc(C(=O)Nc2ccc(OCCO)c(C)c2)c([O-])c1 ZINC000436835979 297038762 /nfs/dbraw/zinc/03/87/62/297038762.db2.gz CDIYIRGNCVLJFR-UHFFFAOYSA-N -1 3 315.369 2.886 20 0 DFADHM COc1cccc(C(=O)N[C@H]2COc3cccc(Cl)c32)c1[O-] ZINC000436857797 297040530 /nfs/dbraw/zinc/04/05/30/297040530.db2.gz XXOGWMXLQZUOCE-NSHDSACASA-N -1 3 319.744 2.918 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCc2ccccc2F)cc1[O-] ZINC000436865470 297040946 /nfs/dbraw/zinc/04/09/46/297040946.db2.gz UJFSUSVRDCLUBU-UHFFFAOYSA-N -1 3 301.317 2.706 20 0 DFADHM COc1ccc(C(=O)NCc2nc3cc(F)ccc3o2)c([O-])c1 ZINC000436902357 297043557 /nfs/dbraw/zinc/04/35/57/297043557.db2.gz FSXZHINLPYZFPJ-UHFFFAOYSA-N -1 3 316.288 2.611 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1[O-] ZINC000436871471 297041272 /nfs/dbraw/zinc/04/12/72/297041272.db2.gz UBKMOEURJBIPOL-MRXNPFEDSA-N -1 3 310.353 2.967 20 0 DFADHM [O-]c1ccccc1-c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC000436903069 297043567 /nfs/dbraw/zinc/04/35/67/297043567.db2.gz GSKBTTUEHILSCK-UHFFFAOYSA-N -1 3 323.352 2.946 20 0 DFADHM O=c1ccn(Cc2nc(-c3ccc([O-])cc3)no2)c2ccccc12 ZINC000436885329 297042027 /nfs/dbraw/zinc/04/20/27/297042027.db2.gz CLAFAYJRZUJVDV-UHFFFAOYSA-N -1 3 319.320 2.805 20 0 DFADHM Cc1ccnc(C(=O)Nc2cc(Br)ccc2[O-])n1 ZINC000436882875 297042031 /nfs/dbraw/zinc/04/20/31/297042031.db2.gz XKAKLHFBWIUTAU-UHFFFAOYSA-N -1 3 308.135 2.505 20 0 DFADHM CC(C)c1ccc(C(=O)NCc2noc(C3CC3)n2)c([O-])c1 ZINC000436916683 297044390 /nfs/dbraw/zinc/04/43/90/297044390.db2.gz VHUJYKIQUIEJAA-UHFFFAOYSA-N -1 3 301.346 2.706 20 0 DFADHM O=C(N[C@@H](CO)c1ccccc1)c1ccc2c(c1[O-])CCCC2 ZINC000436974790 297049524 /nfs/dbraw/zinc/04/95/24/297049524.db2.gz BVMFFWCTNWVELK-KRWDZBQOSA-N -1 3 311.381 2.734 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cnc(C(C)C)nc2)c1[O-] ZINC000436928665 297045559 /nfs/dbraw/zinc/04/55/59/297045559.db2.gz RZPZYJKJESIOCR-UHFFFAOYSA-N -1 3 301.346 2.875 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@@H]2COCC[C@H]21 ZINC000436975620 297049574 /nfs/dbraw/zinc/04/95/74/297049574.db2.gz 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300153338 /nfs/dbraw/zinc/15/33/38/300153338.db2.gz LBWQAVCEIAXVPO-CQSZACIVSA-N -1 3 321.421 2.665 20 0 DFADHM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ncccc1[O-] ZINC000497054187 300153505 /nfs/dbraw/zinc/15/35/05/300153505.db2.gz DXSFJSDPSGNATJ-STQMWFEESA-N -1 3 321.421 2.522 20 0 DFADHM CCOC([O-])=NOCCOc1ccccc1Br ZINC000497064215 300155350 /nfs/dbraw/zinc/15/53/50/300155350.db2.gz OTUAYUOZDSDPHY-UHFFFAOYSA-N -1 3 304.140 2.506 20 0 DFADHM CCOC(=O)[N-]OCCOc1ccccc1Br ZINC000497064215 300155351 /nfs/dbraw/zinc/15/53/51/300155351.db2.gz OTUAYUOZDSDPHY-UHFFFAOYSA-N -1 3 304.140 2.506 20 0 DFADHM COC(=O)Nc1ccc(C(=O)OCCC(C)(F)F)cc1[O-] ZINC000497170110 300172927 /nfs/dbraw/zinc/17/29/27/300172927.db2.gz VSMJXLJDWBVGON-UHFFFAOYSA-N -1 3 303.261 2.773 20 0 DFADHM CCOC([O-])=NOCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497180174 300174226 /nfs/dbraw/zinc/17/42/26/300174226.db2.gz UDFKTOSAGKIQOM-UHFFFAOYSA-N -1 3 316.398 2.701 20 0 DFADHM CCOC(=O)[N-]OCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497180174 300174227 /nfs/dbraw/zinc/17/42/27/300174227.db2.gz UDFKTOSAGKIQOM-UHFFFAOYSA-N -1 3 316.398 2.701 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2n[nH]c(-c3ccccc3F)n2)c1 ZINC000500919325 300209932 /nfs/dbraw/zinc/20/99/32/300209932.db2.gz AJSVPCZYFDRZSL-UHFFFAOYSA-N -1 3 312.304 2.877 20 0 DFADHM O=C(N[C@H]1Cc2cccc(O)c2C1)c1cc([O-])ccc1Cl ZINC000507281194 300235032 /nfs/dbraw/zinc/23/50/32/300235032.db2.gz PFPPNCDAKUNWFE-JTQLQIEISA-N -1 3 303.745 2.648 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(C)C)C1 ZINC000507529054 300237119 /nfs/dbraw/zinc/23/71/19/300237119.db2.gz HPMQTJDSZYTBIU-QWHCGFSZSA-N -1 3 300.424 2.785 20 0 DFADHM Cc1cccc(C)c1OCCCN1CCSC[C@H]1CC(=O)[O-] ZINC000514867108 300276488 /nfs/dbraw/zinc/27/64/88/300276488.db2.gz QTXNKTAXYMGBNG-OAHLLOKOSA-N -1 3 323.458 2.964 20 0 DFADHM [O-]c1cccnc1CN1CCN(Cc2ccccc2Cl)CC1 ZINC000514973266 300282196 /nfs/dbraw/zinc/28/21/96/300282196.db2.gz WRYVVDYNKBZWHJ-UHFFFAOYSA-N -1 3 317.820 2.758 20 0 DFADHM Cn1nc([C@H]2CCCOC2)cc1NCc1cc([O-])cc(F)c1 ZINC000514991223 300283186 /nfs/dbraw/zinc/28/31/86/300283186.db2.gz IKWNJOVNAHNKMX-LBPRGKRZSA-N -1 3 305.353 2.771 20 0 DFADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCc2ccccc2F)C1 ZINC000515177254 300293825 /nfs/dbraw/zinc/29/38/25/300293825.db2.gz QRYVDZCXFRPOQZ-CYBMUJFWSA-N -1 3 305.271 2.707 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C1CC1 ZINC000515195320 300294928 /nfs/dbraw/zinc/29/49/28/300294928.db2.gz DCXQDLDYANFVLL-UHFFFAOYSA-N -1 3 303.811 2.816 20 0 DFADHM Cc1ccc([O-])c(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000515932585 300325071 /nfs/dbraw/zinc/32/50/71/300325071.db2.gz SRKOLXYUWLQTIO-INIZCTEOSA-N -1 3 316.376 2.872 20 0 DFADHM CN(C)c1ccccc1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000516077145 300328965 /nfs/dbraw/zinc/32/89/65/300328965.db2.gz XUOUGGQQJKVIJO-CQSZACIVSA-N -1 3 316.323 2.592 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H]3CCC[C@@H](F)C3)ccc2[n-]1 ZINC000516472388 300343848 /nfs/dbraw/zinc/34/38/48/300343848.db2.gz JJLJGSNDHULZGR-NEPJUHHUSA-N -1 3 305.353 2.972 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H]3CCC[C@@H](F)C3)cc2[n-]1 ZINC000516472388 300343850 /nfs/dbraw/zinc/34/38/50/300343850.db2.gz JJLJGSNDHULZGR-NEPJUHHUSA-N -1 3 305.353 2.972 20 0 DFADHM [O-]c1cccnc1CN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000516512912 300346063 /nfs/dbraw/zinc/34/60/63/300346063.db2.gz IQEYIHFQJTWFHG-HNNXBMFYSA-N -1 3 312.369 2.896 20 0 DFADHM O=C([N-]c1nc2n(n1)CCCC2)c1cc(F)cc2cccnc21 ZINC000516577846 300349890 /nfs/dbraw/zinc/34/98/90/300349890.db2.gz SBTHVRYVNIIVGG-UHFFFAOYSA-N -1 3 311.320 2.554 20 0 DFADHM CSc1nnc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[n-]1 ZINC000516913252 300368361 /nfs/dbraw/zinc/36/83/61/300368361.db2.gz RSOKTOSTHFRNOD-VHSXEESVSA-N -1 3 308.794 2.922 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)n1 ZINC000516913252 300368362 /nfs/dbraw/zinc/36/83/62/300368362.db2.gz RSOKTOSTHFRNOD-VHSXEESVSA-N -1 3 308.794 2.922 20 0 DFADHM CSc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)n[n-]1 ZINC000516913252 300368363 /nfs/dbraw/zinc/36/83/63/300368363.db2.gz 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CCO[C@@]1(C)C[C@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000529855693 300987331 /nfs/dbraw/zinc/98/73/31/300987331.db2.gz GHKRJQCVOBGCFH-YPMHNXCESA-N -1 3 303.280 2.708 20 0 DFADHM CCCOc1cncc([N-]S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000530158376 301021049 /nfs/dbraw/zinc/02/10/49/301021049.db2.gz XZIMUPVBHJXSKP-UHFFFAOYSA-N -1 3 324.377 2.951 20 0 DFADHM C[C@H](C1CC1)N(Cc1ccccc1)Cc1cnc(C(=O)[O-])cn1 ZINC000530161833 301021821 /nfs/dbraw/zinc/02/18/21/301021821.db2.gz RWPHKIPOJZIRPQ-CYBMUJFWSA-N -1 3 311.385 2.976 20 0 DFADHM CO[C@H](Cc1ccccc1)CN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530166350 301022763 /nfs/dbraw/zinc/02/27/63/301022763.db2.gz ZMJMXFRMVNBHIR-RHSMWYFYSA-N -1 3 315.369 2.521 20 0 DFADHM CC(C)Oc1ccnc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)c1 ZINC000530173546 301024894 /nfs/dbraw/zinc/02/48/94/301024894.db2.gz QPQVQQSDGXGWCP-STQMWFEESA-N -1 3 306.406 2.942 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000530312005 301040336 /nfs/dbraw/zinc/04/03/36/301040336.db2.gz 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ZINC000533522528 301204806 /nfs/dbraw/zinc/20/48/06/301204806.db2.gz ZQJVOUAYVLGHPU-LSDHHAIUSA-N -1 3 303.402 2.843 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C2CC2)s1 ZINC000533631998 301210144 /nfs/dbraw/zinc/21/01/44/301210144.db2.gz HCJZBLWDNCLXPQ-AWEZNQCLSA-N -1 3 322.455 2.751 20 0 DFADHM COc1ccc(OCC(=O)Nc2cccc([O-])c2F)cc1C ZINC000534945333 301239976 /nfs/dbraw/zinc/23/99/76/301239976.db2.gz NVEIVMPEECMRST-UHFFFAOYSA-N -1 3 305.305 2.866 20 0 DFADHM COc1ccc(C(=O)Nc2cccc([O-])c2F)c(OC)c1OC ZINC000536464309 301274551 /nfs/dbraw/zinc/27/45/51/301274551.db2.gz URJVICKFWZUHCP-UHFFFAOYSA-N -1 3 321.304 2.809 20 0 DFADHM O=C(Cc1ccn(-c2ccccc2)n1)Nc1cccc([O-])c1F ZINC000536463985 301274575 /nfs/dbraw/zinc/27/45/75/301274575.db2.gz XDPIHKWHTLGKND-UHFFFAOYSA-N -1 3 311.316 2.898 20 0 DFADHM CC(=O)N1CCC(CCC(=O)Nc2cccc([O-])c2F)CC1 ZINC000536462528 301274743 /nfs/dbraw/zinc/27/47/43/301274743.db2.gz DLOUQKNDVUAGTI-UHFFFAOYSA-N -1 3 308.353 2.509 20 0 DFADHM N=c1nc(N2CCC(CCc3ccccc3)CC2)nc2[nH][n-]cc1-2 ZINC000537090599 301294545 /nfs/dbraw/zinc/29/45/45/301294545.db2.gz OQOSTNVRQIQMEG-UHFFFAOYSA-N -1 3 322.416 2.566 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H](c2nccn2C)c2ccccc2)c1 ZINC000537645355 301307584 /nfs/dbraw/zinc/30/75/84/301307584.db2.gz RJFMEJBGEHRDBR-KRWDZBQOSA-N -1 3 321.380 2.954 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c([O-])c1C ZINC000537644076 301307649 /nfs/dbraw/zinc/30/76/49/301307649.db2.gz HSFXTVUEVWFCHL-UHFFFAOYSA-N -1 3 323.356 2.545 20 0 DFADHM C[C@H]1CCCC[C@@H]1OCC(=O)[N-]c1nncn1-c1ccccc1 ZINC000537756095 301310604 /nfs/dbraw/zinc/31/06/04/301310604.db2.gz PXKYMTRSRCIFLD-ZFWWWQNUSA-N -1 3 314.389 2.801 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2-c2nc[nH]n2)c1 ZINC000537795318 301311904 /nfs/dbraw/zinc/31/19/04/301311904.db2.gz JMWCIASKGSXPSB-UHFFFAOYSA-N -1 3 308.341 2.992 20 0 DFADHM Cc1noc([N-]C(=O)c2sc(C3CCCCC3)nc2C)n1 ZINC000538275009 301318992 /nfs/dbraw/zinc/31/89/92/301318992.db2.gz 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CC1CCC(N2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)CC1 ZINC000681047632 545588179 /nfs/dbraw/zinc/58/81/79/545588179.db2.gz QAJSNIMDYIJFPL-UHFFFAOYSA-N -1 3 320.408 2.868 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCN1Cc1ccccn1 ZINC000681337727 545629905 /nfs/dbraw/zinc/62/99/05/545629905.db2.gz QVIHBMFHYDYFIL-INIZCTEOSA-N -1 3 315.348 2.529 20 0 DFADHM CCOc1nc(C(=O)[N-]c2ccc(OC)c3cccnc23)co1 ZINC000681357073 545631663 /nfs/dbraw/zinc/63/16/63/545631663.db2.gz WCMHTEHKRQFWHY-UHFFFAOYSA-N -1 3 313.313 2.882 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3CC[C@@H](C)[C@H](F)C3)c[n-]c12 ZINC000681537946 545668321 /nfs/dbraw/zinc/66/83/21/545668321.db2.gz WIUOBAWTAVSYNV-QMTHXVAHSA-N -1 3 302.349 2.657 20 0 DFADHM CCOc1cnc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)cn1 ZINC000681668189 545696659 /nfs/dbraw/zinc/69/66/59/545696659.db2.gz VKZSFDONFJUOSK-UHFFFAOYSA-N -1 3 321.283 2.608 20 0 DFADHM Cc1cnc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c([O-])c1 ZINC000681729598 545708904 /nfs/dbraw/zinc/70/89/04/545708904.db2.gz 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546088877 /nfs/dbraw/zinc/08/88/77/546088877.db2.gz UEZAIXOVZJLVTR-SECBINFHSA-N -1 3 303.811 2.673 20 0 DFADHM COc1nnc([N-]C(=O)c2nc(-c3ccco3)sc2C)s1 ZINC000683904415 546117612 /nfs/dbraw/zinc/11/76/12/546117612.db2.gz BFLSZAXHBQIOTE-UHFFFAOYSA-N -1 3 322.371 2.824 20 0 DFADHM CC(C)(C(=O)Nc1cc(Br)ccc1[O-])c1c[nH]cn1 ZINC000683920347 546119863 /nfs/dbraw/zinc/11/98/63/546119863.db2.gz ZYWVEGDXMAGHMM-UHFFFAOYSA-N -1 3 324.178 2.794 20 0 DFADHM Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ncccc1[O-] ZINC000684235654 546179163 /nfs/dbraw/zinc/17/91/63/546179163.db2.gz GPQMNBAYQCWAGH-UHFFFAOYSA-N -1 3 323.356 2.603 20 0 DFADHM CCC[C@H](NC(=O)NCc1ncccc1[O-])c1ccccn1 ZINC000684262941 546183828 /nfs/dbraw/zinc/18/38/28/546183828.db2.gz MXTUWKXNFRRSMZ-ZDUSSCGKSA-N -1 3 300.362 2.523 20 0 DFADHM CC(C)(NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C(F)F ZINC000684340329 546195012 /nfs/dbraw/zinc/19/50/12/546195012.db2.gz MZXUGDHFFOQJOQ-UHFFFAOYSA-N -1 3 316.254 2.580 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000684350754 546197254 /nfs/dbraw/zinc/19/72/54/546197254.db2.gz SCTMCFXANSREHW-HNAYVOBHSA-N -1 3 308.381 2.698 20 0 DFADHM O=S(=O)([N-][C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccccn1 ZINC000684598734 546250268 /nfs/dbraw/zinc/25/02/68/546250268.db2.gz FTICIYLRKCERBN-DZGCQCFKSA-N -1 3 320.389 2.835 20 0 DFADHM CSc1cc(NC(=O)c2n[n-]nc2-c2ccccc2)ccn1 ZINC000684750348 546272969 /nfs/dbraw/zinc/27/29/69/546272969.db2.gz NUWWSHVGDFVRMZ-UHFFFAOYSA-N -1 3 311.370 2.841 20 0 DFADHM O=C(NC[C@@H]1Cc2ccccc21)c1c[n-]nc1-c1ccccn1 ZINC000685628013 546377574 /nfs/dbraw/zinc/37/75/74/546377574.db2.gz QMANGFASGRWAAT-ZDUSSCGKSA-N -1 3 304.353 2.541 20 0 DFADHM CC(C)(CNC(=O)c1c[n-]nc1-c1ccccn1)c1ccncc1 ZINC000685810230 546392898 /nfs/dbraw/zinc/39/28/98/546392898.db2.gz PQIPAJVUBROHLO-UHFFFAOYSA-N -1 3 321.384 2.574 20 0 DFADHM Cn1nc(CNC(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC000685825763 546394876 /nfs/dbraw/zinc/39/48/76/546394876.db2.gz PORRUJARIDPJQB-UHFFFAOYSA-N -1 3 315.760 2.862 20 0 DFADHM C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc([O-])ccc1Cl ZINC000685854186 546399794 /nfs/dbraw/zinc/39/97/94/546399794.db2.gz CBQNZZRFKWVDPM-CPCISQLKSA-N -1 3 323.698 2.837 20 0 DFADHM Fc1ccc(CCNc2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000737648399 598830613 /nfs/dbraw/zinc/83/06/13/598830613.db2.gz JEOQKWFKYFDSDG-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM Fc1ccc(CCNc2ccc(-c3nn[n-]n3)cn2)c(Cl)c1 ZINC000737648399 598830615 /nfs/dbraw/zinc/83/06/15/598830615.db2.gz JEOQKWFKYFDSDG-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM CC(C)c1cnc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000735932507 598831591 /nfs/dbraw/zinc/83/15/91/598831591.db2.gz NHWLINHQLQCGEM-UHFFFAOYSA-N -1 3 312.377 2.610 20 0 DFADHM CC(C)c1cnc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735932507 598831593 /nfs/dbraw/zinc/83/15/93/598831593.db2.gz NHWLINHQLQCGEM-UHFFFAOYSA-N -1 3 312.377 2.610 20 0 DFADHM CC[C@H]1CCCCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736400235 598837484 /nfs/dbraw/zinc/83/74/84/598837484.db2.gz NFIMSOPCEUQETL-JTQLQIEISA-N -1 3 305.407 2.723 20 0 DFADHM CC[C@H]1CCCCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736400235 598837486 /nfs/dbraw/zinc/83/74/86/598837486.db2.gz NFIMSOPCEUQETL-JTQLQIEISA-N -1 3 305.407 2.723 20 0 DFADHM Fc1cccc(C2(CNc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737666394 598855702 /nfs/dbraw/zinc/85/57/02/598855702.db2.gz KWJGFPODIZMVSE-UHFFFAOYSA-N -1 3 310.336 2.545 20 0 DFADHM Fc1cccc(C2(CNc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737666394 598855703 /nfs/dbraw/zinc/85/57/03/598855703.db2.gz KWJGFPODIZMVSE-UHFFFAOYSA-N -1 3 310.336 2.545 20 0 DFADHM C[C@H]1C[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)C[C@@H](C)C1 ZINC000736226709 598856439 /nfs/dbraw/zinc/85/64/39/598856439.db2.gz XRDCEYAVFOGVQC-PJXYFTJBSA-N -1 3 312.421 2.987 20 0 DFADHM C[C@H]1C[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)C[C@@H](C)C1 ZINC000736226709 598856442 /nfs/dbraw/zinc/85/64/42/598856442.db2.gz XRDCEYAVFOGVQC-PJXYFTJBSA-N -1 3 312.421 2.987 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](C)Oc2ccccc2)n1 ZINC000737242467 598869821 /nfs/dbraw/zinc/86/98/21/598869821.db2.gz WQMGMWAFERDKEE-CYBMUJFWSA-N -1 3 324.388 2.758 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H](C)Oc2ccccc2)n1 ZINC000737242467 598869823 /nfs/dbraw/zinc/86/98/23/598869823.db2.gz WQMGMWAFERDKEE-CYBMUJFWSA-N -1 3 324.388 2.758 20 0 DFADHM CC[C@@](C)(NCc1ccc(-c2nn[n-]n2)cc1)c1nccs1 ZINC000736314925 598887311 /nfs/dbraw/zinc/88/73/11/598887311.db2.gz FUBWWZHDQOFLKJ-OAHLLOKOSA-N -1 3 314.418 2.738 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)C(C)C ZINC000737295494 598905809 /nfs/dbraw/zinc/90/58/09/598905809.db2.gz YNIXGEOYCRDGAV-LLVKDONJSA-N -1 3 302.382 2.589 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)C(C)C ZINC000737295494 598905810 /nfs/dbraw/zinc/90/58/10/598905810.db2.gz YNIXGEOYCRDGAV-LLVKDONJSA-N -1 3 302.382 2.589 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2ccccn2c1 ZINC000738166576 598906706 /nfs/dbraw/zinc/90/67/06/598906706.db2.gz KFUYTCUYPQOLMK-UHFFFAOYSA-N -1 3 322.303 2.511 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2ccccn2c1 ZINC000738166576 598906708 /nfs/dbraw/zinc/90/67/08/598906708.db2.gz KFUYTCUYPQOLMK-UHFFFAOYSA-N -1 3 322.303 2.511 20 0 DFADHM Cc1nnc(NCC[C@@H]2CCCC[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000737522626 598914879 /nfs/dbraw/zinc/91/48/79/598914879.db2.gz WBZQFHFGUFKWDT-MFKMUULPSA-N -1 3 315.425 2.902 20 0 DFADHM Cc1nnc(NCC[C@@H]2CCCC[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000737522626 598914881 /nfs/dbraw/zinc/91/48/81/598914881.db2.gz WBZQFHFGUFKWDT-MFKMUULPSA-N -1 3 315.425 2.902 20 0 DFADHM CC(C)c1cc(CNc2cccc(F)c2-c2nnn[n-]2)on1 ZINC000735922145 598914934 /nfs/dbraw/zinc/91/49/34/598914934.db2.gz GODMRFKRKBPDAV-UHFFFAOYSA-N -1 3 302.313 2.729 20 0 DFADHM CC(C)c1cc(CNc2cccc(F)c2-c2nn[n-]n2)on1 ZINC000735922145 598914936 /nfs/dbraw/zinc/91/49/36/598914936.db2.gz GODMRFKRKBPDAV-UHFFFAOYSA-N -1 3 302.313 2.729 20 0 DFADHM CCO[C@H]1C[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000736610503 598974252 /nfs/dbraw/zinc/97/42/52/598974252.db2.gz IECGPBHSKQCZHK-OLZOCXBDSA-N -1 3 319.384 2.646 20 0 DFADHM CCO[C@H]1C[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000736610503 598974254 /nfs/dbraw/zinc/97/42/54/598974254.db2.gz IECGPBHSKQCZHK-OLZOCXBDSA-N -1 3 319.384 2.646 20 0 DFADHM CC(C)CC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1F ZINC000735797667 598974565 /nfs/dbraw/zinc/97/45/65/598974565.db2.gz QZUODQALOQMCMG-OAHLLOKOSA-N -1 3 307.373 2.605 20 0 DFADHM O=C(CCC1CC1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737824007 599004013 /nfs/dbraw/zinc/00/40/13/599004013.db2.gz NETBDZAAAPXNOH-UHFFFAOYSA-N -1 3 323.303 2.597 20 0 DFADHM O=C(CCC1CC1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737824007 599004015 /nfs/dbraw/zinc/00/40/15/599004015.db2.gz NETBDZAAAPXNOH-UHFFFAOYSA-N -1 3 323.303 2.597 20 0 DFADHM CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736397416 599012632 /nfs/dbraw/zinc/01/26/32/599012632.db2.gz UZNIOBQGMXATMY-FZMZJTMJSA-N -1 3 314.393 2.957 20 0 DFADHM CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736397416 599012633 /nfs/dbraw/zinc/01/26/33/599012633.db2.gz UZNIOBQGMXATMY-FZMZJTMJSA-N -1 3 314.393 2.957 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(CC1CC1)CC1CC1 ZINC000737801235 599018150 /nfs/dbraw/zinc/01/81/50/599018150.db2.gz SMOPRNDJUWAUFQ-MDZDMXLPSA-N -1 3 323.400 2.529 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC1CC1)CC1CC1 ZINC000737801235 599018152 /nfs/dbraw/zinc/01/81/52/599018152.db2.gz SMOPRNDJUWAUFQ-MDZDMXLPSA-N -1 3 323.400 2.529 20 0 DFADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736227995 599019602 /nfs/dbraw/zinc/01/96/02/599019602.db2.gz MUDMOAAGVPDYMR-RKDXNWHRSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736227995 599019604 /nfs/dbraw/zinc/01/96/04/599019604.db2.gz MUDMOAAGVPDYMR-RKDXNWHRSA-N -1 3 320.784 2.782 20 0 DFADHM Cc1c(NCc2ccc(Cl)nc2)cccc1-c1nnn[n-]1 ZINC000822122056 607257714 /nfs/dbraw/zinc/25/77/14/607257714.db2.gz JFIRQAZMSDOWIA-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1c(NCc2ccc(Cl)nc2)cccc1-c1nn[n-]n1 ZINC000822122056 607257715 /nfs/dbraw/zinc/25/77/15/607257715.db2.gz JFIRQAZMSDOWIA-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CC1(C)[C@H](Nc2ccc(F)cc2-c2nnn[n-]2)[C@@H]2CCCO[C@H]21 ZINC000820583026 599043521 /nfs/dbraw/zinc/04/35/21/599043521.db2.gz AXTIZKLVUFPANU-ZLKJLUDKSA-N -1 3 317.368 2.621 20 0 DFADHM CC1(C)[C@H](Nc2ccc(F)cc2-c2nn[n-]n2)[C@@H]2CCCO[C@H]21 ZINC000820583026 599043523 /nfs/dbraw/zinc/04/35/23/599043523.db2.gz AXTIZKLVUFPANU-ZLKJLUDKSA-N -1 3 317.368 2.621 20 0 DFADHM CCC(CC)c1cc(CNc2ccc(-c3nnn[n-]3)cn2)on1 ZINC000820898332 599045514 /nfs/dbraw/zinc/04/55/14/599045514.db2.gz ZILUIZVOHIPAMX-UHFFFAOYSA-N -1 3 313.365 2.765 20 0 DFADHM CCC(CC)c1cc(CNc2ccc(-c3nn[n-]n3)cn2)on1 ZINC000820898332 599045517 /nfs/dbraw/zinc/04/55/17/599045517.db2.gz ZILUIZVOHIPAMX-UHFFFAOYSA-N -1 3 313.365 2.765 20 0 DFADHM Cc1ccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737320601 599046858 /nfs/dbraw/zinc/04/68/58/599046858.db2.gz RRWHTIYAABQSBC-LBPRGKRZSA-N -1 3 319.752 2.567 20 0 DFADHM Cc1ccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737320601 599046861 /nfs/dbraw/zinc/04/68/61/599046861.db2.gz RRWHTIYAABQSBC-LBPRGKRZSA-N -1 3 319.752 2.567 20 0 DFADHM Cc1cccc([C@@H](C)CNc2nnc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000737390458 599047495 /nfs/dbraw/zinc/04/74/95/599047495.db2.gz TZCSPZJIPAMXMD-NSHDSACASA-N -1 3 323.404 2.798 20 0 DFADHM Cc1cccc([C@@H](C)CNc2nnc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000737390458 599047496 /nfs/dbraw/zinc/04/74/96/599047496.db2.gz TZCSPZJIPAMXMD-NSHDSACASA-N -1 3 323.404 2.798 20 0 DFADHM C[C@@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736262464 599053426 /nfs/dbraw/zinc/05/34/26/599053426.db2.gz MUZDWIMZHONZLV-APPZFPTMSA-N -1 3 312.299 2.881 20 0 DFADHM C[C@@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736262464 599053428 /nfs/dbraw/zinc/05/34/28/599053428.db2.gz MUZDWIMZHONZLV-APPZFPTMSA-N -1 3 312.299 2.881 20 0 DFADHM C[C@H](CCc1cccn1C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820254105 599054878 /nfs/dbraw/zinc/05/48/78/599054878.db2.gz MQSMTKFSLFRDAD-LLVKDONJSA-N -1 3 314.368 2.778 20 0 DFADHM C[C@H](CCc1cccn1C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820254105 599054881 /nfs/dbraw/zinc/05/48/81/599054881.db2.gz MQSMTKFSLFRDAD-LLVKDONJSA-N -1 3 314.368 2.778 20 0 DFADHM COc1cccc(F)c1[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC000821872791 599055879 /nfs/dbraw/zinc/05/58/79/599055879.db2.gz QJULSEVXOUOLGZ-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM COc1cccc(F)c1[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC000821872791 599055881 /nfs/dbraw/zinc/05/58/81/599055881.db2.gz QJULSEVXOUOLGZ-SECBINFHSA-N -1 3 314.324 2.583 20 0 DFADHM Cc1cc(C)cc(C[C@H](C)Nc2ncccc2-c2nnn[n-]2)c1 ZINC000822196269 599062947 /nfs/dbraw/zinc/06/29/47/599062947.db2.gz BORHHNNZAMJIAI-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1cc(C)cc(C[C@H](C)Nc2ncccc2-c2nn[n-]n2)c1 ZINC000822196269 599062950 /nfs/dbraw/zinc/06/29/50/599062950.db2.gz BORHHNNZAMJIAI-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM CS[C@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821951344 599073327 /nfs/dbraw/zinc/07/33/27/599073327.db2.gz XAJJBGVADUYPMI-BDAKNGLRSA-N -1 3 310.814 2.611 20 0 DFADHM CS[C@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821951344 599073330 /nfs/dbraw/zinc/07/33/30/599073330.db2.gz XAJJBGVADUYPMI-BDAKNGLRSA-N -1 3 310.814 2.611 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736244953 599086904 /nfs/dbraw/zinc/08/69/04/599086904.db2.gz QFVWXEWZTYSUBT-NXEZZACHSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736244953 599086907 /nfs/dbraw/zinc/08/69/07/599086907.db2.gz QFVWXEWZTYSUBT-NXEZZACHSA-N -1 3 305.407 2.579 20 0 DFADHM Fc1ccc(N2CCC(C(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000822778418 599088477 /nfs/dbraw/zinc/08/84/77/599088477.db2.gz HMLSOXFVOVQTLJ-UHFFFAOYSA-N -1 3 315.274 2.785 20 0 DFADHM Fc1ccc(N2CCC(C(F)(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000822778418 599088479 /nfs/dbraw/zinc/08/84/79/599088479.db2.gz HMLSOXFVOVQTLJ-UHFFFAOYSA-N -1 3 315.274 2.785 20 0 DFADHM CC(C)[C@@H]1CN(c2ccc(F)cc2-c2nnn[n-]2)CCS1 ZINC000820045539 599097330 /nfs/dbraw/zinc/09/73/30/599097330.db2.gz NBUAOZJHCHYYPF-ZDUSSCGKSA-N -1 3 307.398 2.584 20 0 DFADHM CC(C)[C@@H]1CN(c2ccc(F)cc2-c2nn[n-]n2)CCS1 ZINC000820045539 599097333 /nfs/dbraw/zinc/09/73/33/599097333.db2.gz NBUAOZJHCHYYPF-ZDUSSCGKSA-N -1 3 307.398 2.584 20 0 DFADHM CC(C)[C@@H](C)S[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820550183 599131065 /nfs/dbraw/zinc/13/10/65/599131065.db2.gz VKEFLHFBVLPBID-MNOVXSKESA-N -1 3 319.434 2.971 20 0 DFADHM CC(C)[C@@H](C)S[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820550183 599131068 /nfs/dbraw/zinc/13/10/68/599131068.db2.gz VKEFLHFBVLPBID-MNOVXSKESA-N -1 3 319.434 2.971 20 0 DFADHM Cc1ccc2c(c1)OCCN2Cc1cccc(-c2nnn[n-]2)c1 ZINC000737378611 599143498 /nfs/dbraw/zinc/14/34/98/599143498.db2.gz VISKGFHESZUTJC-UHFFFAOYSA-N -1 3 307.357 2.574 20 0 DFADHM Cc1ccc2c(c1)OCCN2Cc1cccc(-c2nn[n-]n2)c1 ZINC000737378611 599143501 /nfs/dbraw/zinc/14/35/01/599143501.db2.gz VISKGFHESZUTJC-UHFFFAOYSA-N -1 3 307.357 2.574 20 0 DFADHM Cc1ccc([C@H](C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000822227911 599150799 /nfs/dbraw/zinc/15/07/99/599150799.db2.gz ZVJFXFSJCOVGGG-VIFPVBQESA-N -1 3 315.308 2.649 20 0 DFADHM Cc1ccc([C@H](C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000822227911 599150801 /nfs/dbraw/zinc/15/08/01/599150801.db2.gz ZVJFXFSJCOVGGG-VIFPVBQESA-N -1 3 315.308 2.649 20 0 DFADHM CC[C@H]1CCC[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736398661 599155943 /nfs/dbraw/zinc/15/59/43/599155943.db2.gz BYXRHQLLBHBQHI-SMDDNHRTSA-N -1 3 300.362 2.992 20 0 DFADHM CC[C@H]1CCC[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736398661 599155945 /nfs/dbraw/zinc/15/59/45/599155945.db2.gz BYXRHQLLBHBQHI-SMDDNHRTSA-N -1 3 300.362 2.992 20 0 DFADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821034437 599192976 /nfs/dbraw/zinc/19/29/76/599192976.db2.gz MGPFFAUYCSYTAZ-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821034437 599192979 /nfs/dbraw/zinc/19/29/79/599192979.db2.gz MGPFFAUYCSYTAZ-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000823488276 599205632 /nfs/dbraw/zinc/20/56/32/599205632.db2.gz KUZYGDIUFQJOBX-OAHLLOKOSA-N -1 3 323.331 2.593 20 0 DFADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000823488276 599205635 /nfs/dbraw/zinc/20/56/35/599205635.db2.gz KUZYGDIUFQJOBX-OAHLLOKOSA-N -1 3 323.331 2.593 20 0 DFADHM Fc1ccc2[nH]cc(CCNc3ncccc3-c3nnn[n-]3)c2c1 ZINC000737657565 599207520 /nfs/dbraw/zinc/20/75/20/599207520.db2.gz XEPOZCXICRLOMS-UHFFFAOYSA-N -1 3 323.335 2.537 20 0 DFADHM Fc1ccc2[nH]cc(CCNc3ncccc3-c3nn[n-]n3)c2c1 ZINC000737657565 599207523 /nfs/dbraw/zinc/20/75/23/599207523.db2.gz XEPOZCXICRLOMS-UHFFFAOYSA-N -1 3 323.335 2.537 20 0 DFADHM CC[C@@H]1CCCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000736403487 599224105 /nfs/dbraw/zinc/22/41/05/599224105.db2.gz VPACFXROXYNWIG-SNVBAGLBSA-N -1 3 305.407 2.581 20 0 DFADHM CC[C@@H]1CCCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000736403487 599224108 /nfs/dbraw/zinc/22/41/08/599224108.db2.gz VPACFXROXYNWIG-SNVBAGLBSA-N -1 3 305.407 2.581 20 0 DFADHM CCCC[C@H](CC)CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736436556 599224428 /nfs/dbraw/zinc/22/44/28/599224428.db2.gz DKICFPWLSAMWDC-NSHDSACASA-N -1 3 302.382 2.807 20 0 DFADHM CCCC[C@H](CC)CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736436556 599224431 /nfs/dbraw/zinc/22/44/31/599224431.db2.gz DKICFPWLSAMWDC-NSHDSACASA-N -1 3 302.382 2.807 20 0 DFADHM S=C(NCCC1CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823732620 599229677 /nfs/dbraw/zinc/22/96/77/599229677.db2.gz MVRBQEOKUBOSPN-UHFFFAOYSA-N -1 3 322.825 2.607 20 0 DFADHM S=C(NCCC1CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823732620 599229679 /nfs/dbraw/zinc/22/96/79/599229679.db2.gz MVRBQEOKUBOSPN-UHFFFAOYSA-N -1 3 322.825 2.607 20 0 DFADHM CN(Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828350111 603491966 /nfs/dbraw/zinc/49/19/66/603491966.db2.gz BIQJTRIZVFPAAF-LBPRGKRZSA-N -1 3 313.195 2.633 20 0 DFADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCO1 ZINC000736212581 599230761 /nfs/dbraw/zinc/23/07/61/599230761.db2.gz AUTKSJWLBRJHLN-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCO1 ZINC000736212581 599230762 /nfs/dbraw/zinc/23/07/62/599230762.db2.gz AUTKSJWLBRJHLN-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM Fc1cccc(NCC2Cc3ccccc3C2)c1-c1nnn[n-]1 ZINC000737662644 599232563 /nfs/dbraw/zinc/23/25/63/599232563.db2.gz CIRXOGORZBSBJT-UHFFFAOYSA-N -1 3 309.348 2.833 20 0 DFADHM Fc1cccc(NCC2Cc3ccccc3C2)c1-c1nn[n-]n1 ZINC000737662644 599232564 /nfs/dbraw/zinc/23/25/64/599232564.db2.gz CIRXOGORZBSBJT-UHFFFAOYSA-N -1 3 309.348 2.833 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738027323 599227238 /nfs/dbraw/zinc/22/72/38/599227238.db2.gz ZWLQCRNLLYVCAQ-BYCMXARLSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738027323 599227239 /nfs/dbraw/zinc/22/72/39/599227239.db2.gz ZWLQCRNLLYVCAQ-BYCMXARLSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1sccc1-c1nnn[n-]1 ZINC000738023582 599227825 /nfs/dbraw/zinc/22/78/25/599227825.db2.gz GQIJZAWXLKNPIF-GMTAPVOTSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1sccc1-c1nn[n-]n1 ZINC000738023582 599227828 /nfs/dbraw/zinc/22/78/28/599227828.db2.gz GQIJZAWXLKNPIF-GMTAPVOTSA-N -1 3 317.418 2.627 20 0 DFADHM CN(C)Cc1cccc(NC(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000818385803 596982333 /nfs/dbraw/zinc/98/23/33/596982333.db2.gz TXNMZRMCBMSVMO-UHFFFAOYSA-N -1 3 307.394 2.513 20 0 DFADHM CC(C)[C@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735752155 599238999 /nfs/dbraw/zinc/23/89/99/599238999.db2.gz XYWSRBZZYVZKQN-CQSZACIVSA-N -1 3 314.393 2.909 20 0 DFADHM CC(C)[C@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735752155 599239002 /nfs/dbraw/zinc/23/90/02/599239002.db2.gz XYWSRBZZYVZKQN-CQSZACIVSA-N -1 3 314.393 2.909 20 0 DFADHM CC(C)C(NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000820026729 607271263 /nfs/dbraw/zinc/27/12/63/607271263.db2.gz MUUOJNMSUPBJNL-UHFFFAOYSA-N -1 3 320.372 2.808 20 0 DFADHM CC(C)C(NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000820026729 607271264 /nfs/dbraw/zinc/27/12/64/607271264.db2.gz MUUOJNMSUPBJNL-UHFFFAOYSA-N -1 3 320.372 2.808 20 0 DFADHM C[C@@H]1C[C@@H](C)CN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000736225780 599252670 /nfs/dbraw/zinc/25/26/70/599252670.db2.gz DICWVJWOPGXRKL-VXGBXAGGSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1C[C@@H](C)CN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000736225780 599252673 /nfs/dbraw/zinc/25/26/73/599252673.db2.gz DICWVJWOPGXRKL-VXGBXAGGSA-N -1 3 308.389 2.897 20 0 DFADHM CN(C(=O)C=Cc1ccsc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736732863 599304062 /nfs/dbraw/zinc/30/40/62/599304062.db2.gz OZNMBYOHVWUFKE-FARCUNLSSA-N -1 3 311.370 2.604 20 0 DFADHM CN(C(=O)C=Cc1ccsc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736732863 599304064 /nfs/dbraw/zinc/30/40/64/599304064.db2.gz OZNMBYOHVWUFKE-FARCUNLSSA-N -1 3 311.370 2.604 20 0 DFADHM Cc1c(NC(=O)N(C)Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822075735 607290613 /nfs/dbraw/zinc/29/06/13/607290613.db2.gz IMFXLWJQUOIBKQ-UHFFFAOYSA-N -1 3 322.372 2.839 20 0 DFADHM Cc1c(NC(=O)N(C)Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822075735 607290614 /nfs/dbraw/zinc/29/06/14/607290614.db2.gz IMFXLWJQUOIBKQ-UHFFFAOYSA-N -1 3 322.372 2.839 20 0 DFADHM Cc1c(NC(=O)N2CCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822088854 607292496 /nfs/dbraw/zinc/29/24/96/607292496.db2.gz AHKWKMYEYQCASK-UHFFFAOYSA-N -1 3 320.356 2.770 20 0 DFADHM Cc1c(NC(=O)N2CCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822088854 607292497 /nfs/dbraw/zinc/29/24/97/607292497.db2.gz AHKWKMYEYQCASK-UHFFFAOYSA-N -1 3 320.356 2.770 20 0 DFADHM CCOc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821431325 607295482 /nfs/dbraw/zinc/29/54/82/607295482.db2.gz PSMIGDXXXCKIMT-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCOc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821431325 607295483 /nfs/dbraw/zinc/29/54/83/607295483.db2.gz PSMIGDXXXCKIMT-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821492693 607295518 /nfs/dbraw/zinc/29/55/18/607295518.db2.gz SZHMZDAVMKKFTP-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CCc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821492693 607295519 /nfs/dbraw/zinc/29/55/19/607295519.db2.gz SZHMZDAVMKKFTP-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM COc1ccc(CNc2ccc(N(C)C)cc2)cc1-c1nnn[n-]1 ZINC000821821799 607310572 /nfs/dbraw/zinc/31/05/72/607310572.db2.gz XNGOXGCNCJZHTL-UHFFFAOYSA-N -1 3 324.388 2.553 20 0 DFADHM COc1ccc(CNc2ccc(N(C)C)cc2)cc1-c1nn[n-]n1 ZINC000821821799 607310573 /nfs/dbraw/zinc/31/05/73/607310573.db2.gz XNGOXGCNCJZHTL-UHFFFAOYSA-N -1 3 324.388 2.553 20 0 DFADHM Cc1nc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2o1 ZINC000822463023 607311687 /nfs/dbraw/zinc/31/16/87/607311687.db2.gz MPZOVQTXCGXEBX-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1nc2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2o1 ZINC000822463023 607311688 /nfs/dbraw/zinc/31/16/88/607311688.db2.gz MPZOVQTXCGXEBX-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1nn(C)c(C)c1Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822492162 607303336 /nfs/dbraw/zinc/30/33/36/607303336.db2.gz TVYKMHWFJAMMIB-UHFFFAOYSA-N -1 3 303.757 2.614 20 0 DFADHM Cc1nn(C)c(C)c1Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822492162 607303337 /nfs/dbraw/zinc/30/33/37/607303337.db2.gz TVYKMHWFJAMMIB-UHFFFAOYSA-N -1 3 303.757 2.614 20 0 DFADHM Cc1csc(COc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000737453447 599284427 /nfs/dbraw/zinc/28/44/27/599284427.db2.gz VDGIZNHKTUDAMS-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM Cc1csc(COc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000737453447 599284429 /nfs/dbraw/zinc/28/44/29/599284429.db2.gz VDGIZNHKTUDAMS-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM C[C@@H](Sc1nncn1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192885 599287467 /nfs/dbraw/zinc/28/74/67/599287467.db2.gz OEBNTXISSDQLMO-SECBINFHSA-N -1 3 313.390 2.646 20 0 DFADHM C[C@@H](Sc1nncn1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192885 599287469 /nfs/dbraw/zinc/28/74/69/599287469.db2.gz OEBNTXISSDQLMO-SECBINFHSA-N -1 3 313.390 2.646 20 0 DFADHM CC(C)[C@@H](NCc1coc(-c2ccc(F)c(F)c2)n1)C(=O)[O-] ZINC000820044185 598189571 /nfs/dbraw/zinc/18/95/71/598189571.db2.gz WBNFHOXGMWCHIF-CYBMUJFWSA-N -1 3 310.300 2.819 20 0 DFADHM CN(CCC1CCCCC1)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736791309 598233465 /nfs/dbraw/zinc/23/34/65/598233465.db2.gz DPOBQHWZCSSABK-UHFFFAOYSA-N -1 3 313.405 2.909 20 0 DFADHM CN(CCC1CCCCC1)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736791309 598233466 /nfs/dbraw/zinc/23/34/66/598233466.db2.gz DPOBQHWZCSSABK-UHFFFAOYSA-N -1 3 313.405 2.909 20 0 DFADHM Fc1ccccc1OCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000737641336 598235287 /nfs/dbraw/zinc/23/52/87/598235287.db2.gz WPHNECSDODJYNF-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1cccc(N2CCC[C@@H]2c2ccccn2)c1-c1nnn[n-]1 ZINC000737660980 598241279 /nfs/dbraw/zinc/24/12/79/598241279.db2.gz LYIRNFJMVGVCAX-CYBMUJFWSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1cccc(N2CCC[C@@H]2c2ccccn2)c1-c1nn[n-]n1 ZINC000737660980 598241281 /nfs/dbraw/zinc/24/12/81/598241281.db2.gz LYIRNFJMVGVCAX-CYBMUJFWSA-N -1 3 310.336 2.742 20 0 DFADHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1nc(C)cs1 ZINC000736368663 598245005 /nfs/dbraw/zinc/24/50/05/598245005.db2.gz IJXAGTATTSIMAO-SNVBAGLBSA-N -1 3 301.379 2.590 20 0 DFADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1nc(C)cs1 ZINC000736368663 598245006 /nfs/dbraw/zinc/24/50/06/598245006.db2.gz IJXAGTATTSIMAO-SNVBAGLBSA-N -1 3 301.379 2.590 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCCCCC1 ZINC000736821420 598296178 /nfs/dbraw/zinc/29/61/78/598296178.db2.gz UHWKHXOPJHKYFD-UHFFFAOYSA-N -1 3 313.405 2.796 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCCCCC1 ZINC000736821420 598296180 /nfs/dbraw/zinc/29/61/80/598296180.db2.gz UHWKHXOPJHKYFD-UHFFFAOYSA-N -1 3 313.405 2.796 20 0 DFADHM Cc1noc([C@@H](C)SCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000737537106 598314270 /nfs/dbraw/zinc/31/42/70/598314270.db2.gz JEYPIWGLSAUVDX-SSDOTTSWSA-N -1 3 320.353 2.692 20 0 DFADHM Cc1noc([C@@H](C)SCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000737537106 598314272 /nfs/dbraw/zinc/31/42/72/598314272.db2.gz JEYPIWGLSAUVDX-SSDOTTSWSA-N -1 3 320.353 2.692 20 0 DFADHM CC(C)(C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735623687 598316563 /nfs/dbraw/zinc/31/65/63/598316563.db2.gz OQSMDFYWYGAHFF-UHFFFAOYSA-N -1 3 310.814 2.605 20 0 DFADHM CC(C)(C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735623687 598316565 /nfs/dbraw/zinc/31/65/65/598316565.db2.gz OQSMDFYWYGAHFF-UHFFFAOYSA-N -1 3 310.814 2.605 20 0 DFADHM CCC[C@@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736422346 598317230 /nfs/dbraw/zinc/31/72/30/598317230.db2.gz HMKIIAFBWBHZSM-MRVPVSSYSA-N -1 3 324.841 2.995 20 0 DFADHM CCC[C@@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736422346 598317232 /nfs/dbraw/zinc/31/72/32/598317232.db2.gz HMKIIAFBWBHZSM-MRVPVSSYSA-N -1 3 324.841 2.995 20 0 DFADHM CC(C)(C)CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735619597 598321246 /nfs/dbraw/zinc/32/12/46/598321246.db2.gz URSQAPDRLVUQPA-UHFFFAOYSA-N -1 3 324.841 2.853 20 0 DFADHM CC(C)(C)CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735619597 598321248 /nfs/dbraw/zinc/32/12/48/598321248.db2.gz URSQAPDRLVUQPA-UHFFFAOYSA-N -1 3 324.841 2.853 20 0 DFADHM CCN(Cc1ccoc1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736555748 598328168 /nfs/dbraw/zinc/32/81/68/598328168.db2.gz LLHYZCNQBDUQIY-BQYQJAHWSA-N -1 3 323.356 2.522 20 0 DFADHM CCN(Cc1ccoc1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736555748 598328170 /nfs/dbraw/zinc/32/81/70/598328170.db2.gz LLHYZCNQBDUQIY-BQYQJAHWSA-N -1 3 323.356 2.522 20 0 DFADHM Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737318048 598330637 /nfs/dbraw/zinc/33/06/37/598330637.db2.gz RPFLHVCHSNBJRK-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737318048 598330640 /nfs/dbraw/zinc/33/06/40/598330640.db2.gz RPFLHVCHSNBJRK-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1F ZINC000735499184 598358761 /nfs/dbraw/zinc/35/87/61/598358761.db2.gz MBGJAHCUFATNBP-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1F ZINC000735499184 598358762 /nfs/dbraw/zinc/35/87/62/598358762.db2.gz MBGJAHCUFATNBP-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM Cn1ccc2c1cccc2NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737612849 598377780 /nfs/dbraw/zinc/37/77/80/598377780.db2.gz JKOODRJYVGWHFO-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ccc2c1cccc2NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737612849 598377782 /nfs/dbraw/zinc/37/77/82/598377782.db2.gz JKOODRJYVGWHFO-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM CC(C)c1nnc(COc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000735952388 598378131 /nfs/dbraw/zinc/37/81/31/598378131.db2.gz FKNBCOTUIIGEDF-UHFFFAOYSA-N -1 3 320.740 2.606 20 0 DFADHM CC(C)c1nnc(COc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000735952388 598378132 /nfs/dbraw/zinc/37/81/32/598378132.db2.gz FKNBCOTUIIGEDF-UHFFFAOYSA-N -1 3 320.740 2.606 20 0 DFADHM CO[C@@H](C)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736959385 598381513 /nfs/dbraw/zinc/38/15/13/598381513.db2.gz BTGAVXKUVFVNKC-NSHDSACASA-N -1 3 323.356 2.826 20 0 DFADHM CO[C@@H](C)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736959385 598381515 /nfs/dbraw/zinc/38/15/15/598381515.db2.gz BTGAVXKUVFVNKC-NSHDSACASA-N -1 3 323.356 2.826 20 0 DFADHM Fc1cccc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737666406 598387203 /nfs/dbraw/zinc/38/72/03/598387203.db2.gz KYARSZOQVPHENK-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM Fc1cccc(CCNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737666406 598387204 /nfs/dbraw/zinc/38/72/04/598387204.db2.gz KYARSZOQVPHENK-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM CCc1nc(COc2ccc(-c3nn[n-]n3)cc2C)cs1 ZINC000736704964 598394949 /nfs/dbraw/zinc/39/49/49/598394949.db2.gz WFRDNWCVUQROHA-UHFFFAOYSA-N -1 3 301.375 2.773 20 0 DFADHM O=C(CC1=CCCCC1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737811561 598410437 /nfs/dbraw/zinc/41/04/37/598410437.db2.gz CPIYEWINTFUZAK-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM O=C(CC1=CCCCC1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737811561 598410440 /nfs/dbraw/zinc/41/04/40/598410440.db2.gz CPIYEWINTFUZAK-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM CCc1cccc(CC)c1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736698572 598434911 /nfs/dbraw/zinc/43/49/11/598434911.db2.gz JVELPCVVIDQLJF-UHFFFAOYSA-N -1 3 322.372 2.639 20 0 DFADHM CCc1cccc(CC)c1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736698572 598434914 /nfs/dbraw/zinc/43/49/14/598434914.db2.gz JVELPCVVIDQLJF-UHFFFAOYSA-N -1 3 322.372 2.639 20 0 DFADHM O=C(OCCCC1CCCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738223567 598436513 /nfs/dbraw/zinc/43/65/13/598436513.db2.gz ZJZOXUOTCZYBKD-UHFFFAOYSA-N -1 3 315.377 2.779 20 0 DFADHM O=C(OCCCC1CCCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738223567 598436515 /nfs/dbraw/zinc/43/65/15/598436515.db2.gz ZJZOXUOTCZYBKD-UHFFFAOYSA-N -1 3 315.377 2.779 20 0 DFADHM Cc1nnc(N(C)C[C@H](C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000737521795 598457601 /nfs/dbraw/zinc/45/76/01/598457601.db2.gz NSINMMTUQGWHGE-NSHDSACASA-N -1 3 323.404 2.513 20 0 DFADHM Cc1nnc(N(C)C[C@H](C)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737521795 598457603 /nfs/dbraw/zinc/45/76/03/598457603.db2.gz NSINMMTUQGWHGE-NSHDSACASA-N -1 3 323.404 2.513 20 0 DFADHM C[C@@H](C1CC1)n1nccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000735963610 598466815 /nfs/dbraw/zinc/46/68/15/598466815.db2.gz IKZLXVOHXWIGNU-NSHDSACASA-N -1 3 309.377 2.646 20 0 DFADHM C[C@@H](C1CC1)n1nccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000735963610 598466817 /nfs/dbraw/zinc/46/68/17/598466817.db2.gz IKZLXVOHXWIGNU-NSHDSACASA-N -1 3 309.377 2.646 20 0 DFADHM CC(C)CO[C@H](C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000735839161 598481190 /nfs/dbraw/zinc/48/11/90/598481190.db2.gz LQRJIPITEGRGAV-VXGBXAGGSA-N -1 3 318.377 2.532 20 0 DFADHM CC(C)CO[C@H](C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000735839161 598481192 /nfs/dbraw/zinc/48/11/92/598481192.db2.gz LQRJIPITEGRGAV-VXGBXAGGSA-N -1 3 318.377 2.532 20 0 DFADHM C[C@H](CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736153331 598481414 /nfs/dbraw/zinc/48/14/14/598481414.db2.gz YCOAMOFRXNTZBW-GHMZBOCLSA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H](CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736153331 598481416 /nfs/dbraw/zinc/48/14/16/598481416.db2.gz YCOAMOFRXNTZBW-GHMZBOCLSA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H](OC(=O)c1ccsc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736164594 598490755 /nfs/dbraw/zinc/49/07/55/598490755.db2.gz YSCAMHBAWXVMMJ-VIFPVBQESA-N -1 3 300.343 2.846 20 0 DFADHM C[C@H](OC(=O)c1ccsc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736164594 598490757 /nfs/dbraw/zinc/49/07/57/598490757.db2.gz YSCAMHBAWXVMMJ-VIFPVBQESA-N -1 3 300.343 2.846 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H](C)CC(C)C ZINC000737025247 598494838 /nfs/dbraw/zinc/49/48/38/598494838.db2.gz OWYCOYSORFVCOW-NSHDSACASA-N -1 3 318.377 2.853 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H](C)CC(C)C ZINC000737025247 598494840 /nfs/dbraw/zinc/49/48/40/598494840.db2.gz OWYCOYSORFVCOW-NSHDSACASA-N -1 3 318.377 2.853 20 0 DFADHM CO[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000821677429 599687393 /nfs/dbraw/zinc/68/73/93/599687393.db2.gz WSBSYJSRRAIUMF-GFCCVEGCSA-N -1 3 309.801 2.993 20 0 DFADHM CO[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC000821677429 599687394 /nfs/dbraw/zinc/68/73/94/599687394.db2.gz WSBSYJSRRAIUMF-GFCCVEGCSA-N -1 3 309.801 2.993 20 0 DFADHM CCc1c(C)sc(NC(=O)c2cncs2)c1-c1nnn[n-]1 ZINC000736676285 598517546 /nfs/dbraw/zinc/51/75/46/598517546.db2.gz QOWGTNGXFDJNNB-UHFFFAOYSA-N -1 3 320.403 2.508 20 0 DFADHM CCc1c(C)sc(NC(=O)c2cncs2)c1-c1nn[n-]n1 ZINC000736676285 598517548 /nfs/dbraw/zinc/51/75/48/598517548.db2.gz QOWGTNGXFDJNNB-UHFFFAOYSA-N -1 3 320.403 2.508 20 0 DFADHM CCc1c(C)sc(NC(=O)c2ccco2)c1-c1nnn[n-]1 ZINC000736674460 598518586 /nfs/dbraw/zinc/51/85/86/598518586.db2.gz CQCCXCUATUGCKB-UHFFFAOYSA-N -1 3 303.347 2.644 20 0 DFADHM CCc1c(C)sc(NC(=O)c2ccco2)c1-c1nn[n-]n1 ZINC000736674460 598518587 /nfs/dbraw/zinc/51/85/87/598518587.db2.gz CQCCXCUATUGCKB-UHFFFAOYSA-N -1 3 303.347 2.644 20 0 DFADHM Cc1csc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000737454964 598521655 /nfs/dbraw/zinc/52/16/55/598521655.db2.gz KMYDPUHEUFCJRN-QMMMGPOBSA-N -1 3 304.354 2.944 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC000738192854 598532242 /nfs/dbraw/zinc/53/22/42/598532242.db2.gz YJRZDGQMBOWRRW-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC000738192854 598532243 /nfs/dbraw/zinc/53/22/43/598532243.db2.gz YJRZDGQMBOWRRW-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2ncccc2-c2nnn[n-]2)c(C)c1 ZINC000737335042 598537862 /nfs/dbraw/zinc/53/78/62/598537862.db2.gz PFFUYVQQTZYRFS-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccc(C[C@H](C)Nc2ncccc2-c2nn[n-]n2)c(C)c1 ZINC000737335042 598537863 /nfs/dbraw/zinc/53/78/63/598537863.db2.gz PFFUYVQQTZYRFS-ZDUSSCGKSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccc(CN(C)c2nc(C)cc(C)c2-c2nnn[n-]2)s1 ZINC000737243803 598551255 /nfs/dbraw/zinc/55/12/55/598551255.db2.gz BIUOBUYDZXVUBL-UHFFFAOYSA-N -1 3 314.418 2.885 20 0 DFADHM Cc1ccc(CN(C)c2nc(C)cc(C)c2-c2nn[n-]n2)s1 ZINC000737243803 598551256 /nfs/dbraw/zinc/55/12/56/598551256.db2.gz BIUOBUYDZXVUBL-UHFFFAOYSA-N -1 3 314.418 2.885 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc2ncccc2c1 ZINC000738190203 598572550 /nfs/dbraw/zinc/57/25/50/598572550.db2.gz BEHLUBRQHFJCCZ-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc2ncccc2c1 ZINC000738190203 598572551 /nfs/dbraw/zinc/57/25/51/598572551.db2.gz BEHLUBRQHFJCCZ-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCCC1 ZINC000738162004 598583930 /nfs/dbraw/zinc/58/39/30/598583930.db2.gz HYBWMLIOYAOCBF-UHFFFAOYSA-N -1 3 303.341 2.915 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCCCC1 ZINC000738162004 598583932 /nfs/dbraw/zinc/58/39/32/598583932.db2.gz HYBWMLIOYAOCBF-UHFFFAOYSA-N -1 3 303.341 2.915 20 0 DFADHM O=C(CC1CCCCC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737818124 598590925 /nfs/dbraw/zinc/59/09/25/598590925.db2.gz AUYLPNCRZGQYIH-UHFFFAOYSA-N -1 3 303.341 2.915 20 0 DFADHM O=C(CC1CCCCC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737818124 598590926 /nfs/dbraw/zinc/59/09/26/598590926.db2.gz AUYLPNCRZGQYIH-UHFFFAOYSA-N -1 3 303.341 2.915 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)cc(F)c1 ZINC000738166424 598591705 /nfs/dbraw/zinc/59/17/05/598591705.db2.gz JIWVJGFCHIPROO-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1 ZINC000738166424 598591707 /nfs/dbraw/zinc/59/17/07/598591707.db2.gz JIWVJGFCHIPROO-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000738167303 598591774 /nfs/dbraw/zinc/59/17/74/598591774.db2.gz QYVDRFQTHCVBAR-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000738167303 598591775 /nfs/dbraw/zinc/59/17/75/598591775.db2.gz QYVDRFQTHCVBAR-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM CN(CCc1ccccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000736805554 598592993 /nfs/dbraw/zinc/59/29/93/598592993.db2.gz HSMPMBVSHXNOID-UHFFFAOYSA-N -1 3 315.327 2.824 20 0 DFADHM CN(CCc1ccccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000736805554 598592994 /nfs/dbraw/zinc/59/29/94/598592994.db2.gz HSMPMBVSHXNOID-UHFFFAOYSA-N -1 3 315.327 2.824 20 0 DFADHM CC(=O)c1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000735498206 598607191 /nfs/dbraw/zinc/60/71/91/598607191.db2.gz GRSUDSLPLKAWSN-UHFFFAOYSA-N -1 3 308.341 2.957 20 0 DFADHM CC(=O)c1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000735498206 598607193 /nfs/dbraw/zinc/60/71/93/598607193.db2.gz GRSUDSLPLKAWSN-UHFFFAOYSA-N -1 3 308.341 2.957 20 0 DFADHM CCCN(CC(C)C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736470341 598627676 /nfs/dbraw/zinc/62/76/76/598627676.db2.gz OGPWJSUTHIBWGA-UHFFFAOYSA-N -1 3 320.372 2.906 20 0 DFADHM CCCN(CC(C)C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736470341 598627678 /nfs/dbraw/zinc/62/76/78/598627678.db2.gz OGPWJSUTHIBWGA-UHFFFAOYSA-N -1 3 320.372 2.906 20 0 DFADHM CC(C)COCCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000735838339 598629982 /nfs/dbraw/zinc/62/99/82/598629982.db2.gz OVUWBGLRBVRXDR-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM CC(C)COCCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000735838339 598629983 /nfs/dbraw/zinc/62/99/83/598629983.db2.gz OVUWBGLRBVRXDR-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736271424 598630731 /nfs/dbraw/zinc/63/07/31/598630731.db2.gz NIQXSEKVDOSLBJ-TVQRCGJNSA-N -1 3 318.356 2.706 20 0 DFADHM C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736271424 598630733 /nfs/dbraw/zinc/63/07/33/598630733.db2.gz NIQXSEKVDOSLBJ-TVQRCGJNSA-N -1 3 318.356 2.706 20 0 DFADHM CCC[C@@H](C)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736422038 598632331 /nfs/dbraw/zinc/63/23/31/598632331.db2.gz FHYNJOZHSLXQAG-SECBINFHSA-N -1 3 306.345 2.658 20 0 DFADHM CCC[C@@H](C)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736422038 598632333 /nfs/dbraw/zinc/63/23/33/598632333.db2.gz FHYNJOZHSLXQAG-SECBINFHSA-N -1 3 306.345 2.658 20 0 DFADHM CSc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737191801 598642269 /nfs/dbraw/zinc/64/22/69/598642269.db2.gz VVRBTEAHIPYXFH-UHFFFAOYSA-N -1 3 311.370 2.841 20 0 DFADHM CSc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737191801 598642271 /nfs/dbraw/zinc/64/22/71/598642271.db2.gz VVRBTEAHIPYXFH-UHFFFAOYSA-N -1 3 311.370 2.841 20 0 DFADHM COc1ccccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737155001 598643477 /nfs/dbraw/zinc/64/34/77/598643477.db2.gz BZLBMRURGGNHQO-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1ccccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737155001 598643478 /nfs/dbraw/zinc/64/34/78/598643478.db2.gz BZLBMRURGGNHQO-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM CCC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736417712 598662756 /nfs/dbraw/zinc/66/27/56/598662756.db2.gz VFMHSVYLQQKDTD-AWEZNQCLSA-N -1 3 322.372 2.784 20 0 DFADHM CCC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736417712 598662758 /nfs/dbraw/zinc/66/27/58/598662758.db2.gz VFMHSVYLQQKDTD-AWEZNQCLSA-N -1 3 322.372 2.784 20 0 DFADHM Cc1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737376550 598668443 /nfs/dbraw/zinc/66/84/43/598668443.db2.gz IIHKMVRRAVEPNA-UHFFFAOYSA-N -1 3 319.368 2.768 20 0 DFADHM Cc1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737376550 598668445 /nfs/dbraw/zinc/66/84/45/598668445.db2.gz IIHKMVRRAVEPNA-UHFFFAOYSA-N -1 3 319.368 2.768 20 0 DFADHM Fc1ccc(Cn2ccc(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000737658771 598700700 /nfs/dbraw/zinc/70/07/00/598700700.db2.gz IGLPAHSVXBTUCG-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1ccc(Cn2ccc(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000737658771 598700701 /nfs/dbraw/zinc/70/07/01/598700701.db2.gz IGLPAHSVXBTUCG-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM CCC[C@H](C)CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736423174 598710769 /nfs/dbraw/zinc/71/07/69/598710769.db2.gz LPAOBWAWNKULQU-JTQLQIEISA-N -1 3 306.341 2.875 20 0 DFADHM CCC[C@H](C)CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736423174 598710770 /nfs/dbraw/zinc/71/07/70/598710770.db2.gz LPAOBWAWNKULQU-JTQLQIEISA-N -1 3 306.341 2.875 20 0 DFADHM CCN(C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736535925 598745992 /nfs/dbraw/zinc/74/59/92/598745992.db2.gz YQVQTIBRZZSOIL-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CCN(C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736535925 598745995 /nfs/dbraw/zinc/74/59/95/598745995.db2.gz YQVQTIBRZZSOIL-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735752080 598749666 /nfs/dbraw/zinc/74/96/66/598749666.db2.gz XGMXRBOAMJJEGF-GJZGRUSLSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735752080 598749668 /nfs/dbraw/zinc/74/96/68/598749668.db2.gz XGMXRBOAMJJEGF-GJZGRUSLSA-N -1 3 313.405 2.811 20 0 DFADHM Cc1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)ccc1F ZINC000737244123 598779962 /nfs/dbraw/zinc/77/99/62/598779962.db2.gz YZOWBAASLRKKQN-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)ccc1F ZINC000737244123 598779964 /nfs/dbraw/zinc/77/99/64/598779964.db2.gz YZOWBAASLRKKQN-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2ccccc21 ZINC000738250103 598789662 /nfs/dbraw/zinc/78/96/62/598789662.db2.gz BWVPOLZUOQTOGA-OAHLLOKOSA-N -1 3 306.325 2.502 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000738250103 598789663 /nfs/dbraw/zinc/78/96/63/598789663.db2.gz BWVPOLZUOQTOGA-OAHLLOKOSA-N -1 3 306.325 2.502 20 0 DFADHM COc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cn1 ZINC000737095797 598791899 /nfs/dbraw/zinc/79/18/99/598791899.db2.gz NYVLFUAUWRMODK-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000737095797 598791901 /nfs/dbraw/zinc/79/19/01/598791901.db2.gz NYVLFUAUWRMODK-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM O=C(NC/C=C\c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738053534 598798923 /nfs/dbraw/zinc/79/89/23/598798923.db2.gz YAOQCBRMKOFCEH-YVMONPNESA-N -1 3 320.356 2.702 20 0 DFADHM O=C(NC/C=C\c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738053534 598798924 /nfs/dbraw/zinc/79/89/24/598798924.db2.gz YAOQCBRMKOFCEH-YVMONPNESA-N -1 3 320.356 2.702 20 0 DFADHM Cc1ncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000737489679 598799295 /nfs/dbraw/zinc/79/92/95/598799295.db2.gz MMZCVOHXLNMBCJ-QMMMGPOBSA-N -1 3 315.358 2.550 20 0 DFADHM Cc1ncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000737489679 598799296 /nfs/dbraw/zinc/79/92/96/598799296.db2.gz MMZCVOHXLNMBCJ-QMMMGPOBSA-N -1 3 315.358 2.550 20 0 DFADHM CC(C)n1cc([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000736135553 598815981 /nfs/dbraw/zinc/81/59/81/598815981.db2.gz BFKBRXGZFDTDQS-SNVBAGLBSA-N -1 3 315.356 2.956 20 0 DFADHM CC(C)n1cc([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000736135553 598815983 /nfs/dbraw/zinc/81/59/83/598815983.db2.gz BFKBRXGZFDTDQS-SNVBAGLBSA-N -1 3 315.356 2.956 20 0 DFADHM CCC/C=C\C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736436897 598818825 /nfs/dbraw/zinc/81/88/25/598818825.db2.gz AVVWABPKJGLYCM-SREVYHEPSA-N -1 3 313.405 2.960 20 0 DFADHM CCC/C=C\C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736436897 598818827 /nfs/dbraw/zinc/81/88/27/598818827.db2.gz AVVWABPKJGLYCM-SREVYHEPSA-N -1 3 313.405 2.960 20 0 DFADHM CCOc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000736626354 598821284 /nfs/dbraw/zinc/82/12/84/598821284.db2.gz RVHLFUCPCDYKCV-UHFFFAOYSA-N -1 3 324.340 2.793 20 0 DFADHM CCOc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000736626354 598821286 /nfs/dbraw/zinc/82/12/86/598821286.db2.gz RVHLFUCPCDYKCV-UHFFFAOYSA-N -1 3 324.340 2.793 20 0 DFADHM CN(C(=O)C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736731686 599306898 /nfs/dbraw/zinc/30/68/98/599306898.db2.gz FJEXJTRJTARRMR-GHXNOFRVSA-N -1 3 305.341 2.543 20 0 DFADHM CN(C(=O)C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736731686 599306900 /nfs/dbraw/zinc/30/69/00/599306900.db2.gz FJEXJTRJTARRMR-GHXNOFRVSA-N -1 3 305.341 2.543 20 0 DFADHM Cc1cnccc1CCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826319407 607850860 /nfs/dbraw/zinc/85/08/60/607850860.db2.gz BCVZBOBRWGZKAJ-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1cnccc1CCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826319407 607850861 /nfs/dbraw/zinc/85/08/61/607850861.db2.gz BCVZBOBRWGZKAJ-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)cc(F)c1 ZINC000821732174 607368487 /nfs/dbraw/zinc/36/84/87/607368487.db2.gz KYKSSBHLHKJHAJ-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)cc(F)c1 ZINC000821732174 607368490 /nfs/dbraw/zinc/36/84/90/607368490.db2.gz KYKSSBHLHKJHAJ-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Cc1ccc(C)c(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737327279 599324255 /nfs/dbraw/zinc/32/42/55/599324255.db2.gz YDOJYVXISDCATP-UHFFFAOYSA-N -1 3 309.373 2.974 20 0 DFADHM Cc1ccc(C)c(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737327279 599324258 /nfs/dbraw/zinc/32/42/58/599324258.db2.gz YDOJYVXISDCATP-UHFFFAOYSA-N -1 3 309.373 2.974 20 0 DFADHM FC(F)(F)COCCNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737628060 599326419 /nfs/dbraw/zinc/32/64/19/599326419.db2.gz VOQSCYUSPNXJHU-UHFFFAOYSA-N -1 3 321.690 2.511 20 0 DFADHM FC(F)(F)COCCNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737628060 599326422 /nfs/dbraw/zinc/32/64/22/599326422.db2.gz VOQSCYUSPNXJHU-UHFFFAOYSA-N -1 3 321.690 2.511 20 0 DFADHM COCC[C@@H](C)SCc1cc(-c2nnn[n-]2)ccc1OC ZINC000821685812 607368828 /nfs/dbraw/zinc/36/88/28/607368828.db2.gz QSESYMXRRAETEY-SNVBAGLBSA-N -1 3 308.407 2.534 20 0 DFADHM COCC[C@@H](C)SCc1cc(-c2nn[n-]n2)ccc1OC ZINC000821685812 607368830 /nfs/dbraw/zinc/36/88/30/607368830.db2.gz QSESYMXRRAETEY-SNVBAGLBSA-N -1 3 308.407 2.534 20 0 DFADHM CN(CCc1ccccn1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821604772 599337509 /nfs/dbraw/zinc/33/75/09/599337509.db2.gz FVACWBHAWGZHDO-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM CN(CCc1ccccn1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821604772 599337511 /nfs/dbraw/zinc/33/75/11/599337511.db2.gz FVACWBHAWGZHDO-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736237473 599341633 /nfs/dbraw/zinc/34/16/33/599341633.db2.gz PKMNLFAOUJEUKF-BYCMXARLSA-N -1 3 311.389 2.660 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736237473 599341634 /nfs/dbraw/zinc/34/16/34/599341634.db2.gz PKMNLFAOUJEUKF-BYCMXARLSA-N -1 3 311.389 2.660 20 0 DFADHM C[C@H]1CCN(c2ncccc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820727662 599359406 /nfs/dbraw/zinc/35/94/06/599359406.db2.gz NMLBTQDOLWNIOC-AAEUAGOBSA-N -1 3 310.361 2.832 20 0 DFADHM C[C@H]1CCN(c2ncccc2-c2nn[n-]n2)[C@H](c2ccco2)C1 ZINC000820727662 599359409 /nfs/dbraw/zinc/35/94/09/599359409.db2.gz NMLBTQDOLWNIOC-AAEUAGOBSA-N -1 3 310.361 2.832 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc2occc2s1 ZINC000738212768 599370590 /nfs/dbraw/zinc/37/05/90/599370590.db2.gz ZBYIKBKETCYTEX-UHFFFAOYSA-N -1 3 317.355 2.988 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc2occc2s1 ZINC000738212768 599370593 /nfs/dbraw/zinc/37/05/93/599370593.db2.gz ZBYIKBKETCYTEX-UHFFFAOYSA-N -1 3 317.355 2.988 20 0 DFADHM CSCCCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737180027 599372527 /nfs/dbraw/zinc/37/25/27/599372527.db2.gz ANNVAZAIKRPPHN-UHFFFAOYSA-N -1 3 322.438 2.505 20 0 DFADHM CSCCCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737180027 599372530 /nfs/dbraw/zinc/37/25/30/599372530.db2.gz ANNVAZAIKRPPHN-UHFFFAOYSA-N -1 3 322.438 2.505 20 0 DFADHM CN(Cc1cscn1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736831554 599418462 /nfs/dbraw/zinc/41/84/62/599418462.db2.gz OTGLOZVIUSDOFD-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CN(Cc1cscn1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736831554 599418465 /nfs/dbraw/zinc/41/84/65/599418465.db2.gz OTGLOZVIUSDOFD-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000820920122 599423207 /nfs/dbraw/zinc/42/32/07/599423207.db2.gz LGTMVHSPYHOPRP-RISCZKNCSA-N -1 3 316.409 2.662 20 0 DFADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000820920122 599423209 /nfs/dbraw/zinc/42/32/09/599423209.db2.gz LGTMVHSPYHOPRP-RISCZKNCSA-N -1 3 316.409 2.662 20 0 DFADHM Fc1ccccc1C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737662720 599441872 /nfs/dbraw/zinc/44/18/72/599441872.db2.gz DFFDKRDFIJZEFV-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1ccccc1C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737662720 599441873 /nfs/dbraw/zinc/44/18/73/599441873.db2.gz DFFDKRDFIJZEFV-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1ccc(CNCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC000822771448 599457749 /nfs/dbraw/zinc/45/77/49/599457749.db2.gz HOYFABKQOOSDLD-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM C[C@@H](NC(=O)N(C)CC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340725 599477842 /nfs/dbraw/zinc/47/78/42/599477842.db2.gz NDGBESLKLDCZKK-LLVKDONJSA-N -1 3 316.409 2.615 20 0 DFADHM C[C@@H](NC(=O)N(C)CC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340725 599477844 /nfs/dbraw/zinc/47/78/44/599477844.db2.gz NDGBESLKLDCZKK-LLVKDONJSA-N -1 3 316.409 2.615 20 0 DFADHM Fc1ccc(NCc2ccc(Cl)nc2)c(-c2nnn[n-]2)c1 ZINC000822783015 599486514 /nfs/dbraw/zinc/48/65/14/599486514.db2.gz QBAMMCGIRMFIAC-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(NCc2ccc(Cl)nc2)c(-c2nn[n-]n2)c1 ZINC000822783015 599486516 /nfs/dbraw/zinc/48/65/16/599486516.db2.gz QBAMMCGIRMFIAC-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Cc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1C ZINC000737362470 599486883 /nfs/dbraw/zinc/48/68/83/599486883.db2.gz PWCNANKICVWHGK-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1C ZINC000737362470 599486885 /nfs/dbraw/zinc/48/68/85/599486885.db2.gz PWCNANKICVWHGK-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM CC(C)COC1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820103211 599487011 /nfs/dbraw/zinc/48/70/11/599487011.db2.gz PTNWHXSUBQEGJA-UHFFFAOYSA-N -1 3 319.384 2.647 20 0 DFADHM CC(C)COC1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820103211 599487012 /nfs/dbraw/zinc/48/70/12/599487012.db2.gz PTNWHXSUBQEGJA-UHFFFAOYSA-N -1 3 319.384 2.647 20 0 DFADHM Oc1cccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000823731712 599504422 /nfs/dbraw/zinc/50/44/22/599504422.db2.gz DJMQBLDVXICJCA-UHFFFAOYSA-N -1 3 315.764 2.880 20 0 DFADHM Oc1cccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000823731712 599504425 /nfs/dbraw/zinc/50/44/25/599504425.db2.gz DJMQBLDVXICJCA-UHFFFAOYSA-N -1 3 315.764 2.880 20 0 DFADHM CCC[C@@H](C)CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821015461 599519131 /nfs/dbraw/zinc/51/91/31/599519131.db2.gz QFTVXNXTXWAFRV-VXGBXAGGSA-N -1 3 301.394 2.870 20 0 DFADHM CCC[C@@H](C)CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821015461 599519133 /nfs/dbraw/zinc/51/91/33/599519133.db2.gz QFTVXNXTXWAFRV-VXGBXAGGSA-N -1 3 301.394 2.870 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC000737422783 599526924 /nfs/dbraw/zinc/52/69/24/599526924.db2.gz OCFDGDCFOVJETK-KBPBESRZSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC000737422783 599526927 /nfs/dbraw/zinc/52/69/27/599526927.db2.gz OCFDGDCFOVJETK-KBPBESRZSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCC[C@H]1C ZINC000822336090 599528854 /nfs/dbraw/zinc/52/88/54/599528854.db2.gz OAZQETPCZIRZII-YGRLFVJLSA-N -1 3 308.389 2.746 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCC[C@H]1C ZINC000822336090 599528856 /nfs/dbraw/zinc/52/88/56/599528856.db2.gz OAZQETPCZIRZII-YGRLFVJLSA-N -1 3 308.389 2.746 20 0 DFADHM CCCC(O)(CCC)CNc1ccc(-c2nn[n-]n2)cc1F ZINC000736436235 599530649 /nfs/dbraw/zinc/53/06/49/599530649.db2.gz PRBXTQWYOVEPEP-UHFFFAOYSA-N -1 3 307.373 2.749 20 0 DFADHM CN(C(=O)CCC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732702 599545112 /nfs/dbraw/zinc/54/51/12/599545112.db2.gz NRMHCLUZKMTZAA-UHFFFAOYSA-N -1 3 305.357 2.795 20 0 DFADHM CN(C(=O)CCC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732702 599545114 /nfs/dbraw/zinc/54/51/14/599545114.db2.gz NRMHCLUZKMTZAA-UHFFFAOYSA-N -1 3 305.357 2.795 20 0 DFADHM C[C@@H]1CC[C@H](C)N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820683495 599547134 /nfs/dbraw/zinc/54/71/34/599547134.db2.gz BZJZRSKLXCJOJA-BWFAQCLASA-N -1 3 311.389 2.527 20 0 DFADHM C[C@@H]1CC[C@H](C)N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820683495 599547137 /nfs/dbraw/zinc/54/71/37/599547137.db2.gz BZJZRSKLXCJOJA-BWFAQCLASA-N -1 3 311.389 2.527 20 0 DFADHM Cc1cccc2nc(CNc3ccc(F)cc3-c3nnn[n-]3)cn21 ZINC000822340933 599547689 /nfs/dbraw/zinc/54/76/89/599547689.db2.gz NUZSNPNNNXAUQQ-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cccc2nc(CNc3ccc(F)cc3-c3nn[n-]n3)cn21 ZINC000822340933 599547691 /nfs/dbraw/zinc/54/76/91/599547691.db2.gz NUZSNPNNNXAUQQ-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM C[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000820709161 599549616 /nfs/dbraw/zinc/54/96/16/599549616.db2.gz DZVICFKJCSGUQX-QWRGUYRKSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000820709161 599549617 /nfs/dbraw/zinc/54/96/17/599549617.db2.gz DZVICFKJCSGUQX-QWRGUYRKSA-N -1 3 300.366 2.519 20 0 DFADHM CN(c1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCc2ccccc2C1 ZINC000821618928 599557546 /nfs/dbraw/zinc/55/75/46/599557546.db2.gz BPPHZYJAIIWNJE-OAHLLOKOSA-N -1 3 323.375 3.000 20 0 DFADHM CN(c1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCc2ccccc2C1 ZINC000821618928 599557548 /nfs/dbraw/zinc/55/75/48/599557548.db2.gz BPPHZYJAIIWNJE-OAHLLOKOSA-N -1 3 323.375 3.000 20 0 DFADHM CCOC[C@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821368145 599557561 /nfs/dbraw/zinc/55/75/61/599557561.db2.gz RHVMXTOVYGKUJB-NSHDSACASA-N -1 3 321.812 2.773 20 0 DFADHM CCOC[C@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821368145 599557564 /nfs/dbraw/zinc/55/75/64/599557564.db2.gz RHVMXTOVYGKUJB-NSHDSACASA-N -1 3 321.812 2.773 20 0 DFADHM CN1CCCN(Cc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000736857346 599584613 /nfs/dbraw/zinc/58/46/13/599584613.db2.gz RVENHWLKHOZUBZ-UHFFFAOYSA-N -1 3 320.400 2.713 20 0 DFADHM CN1CCCN(Cc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000736857346 599584614 /nfs/dbraw/zinc/58/46/14/599584614.db2.gz RVENHWLKHOZUBZ-UHFFFAOYSA-N -1 3 320.400 2.713 20 0 DFADHM C[C@@H]1CCC[C@H](C)CN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820696572 599585007 /nfs/dbraw/zinc/58/50/07/599585007.db2.gz AYRDXIJZQPUWCY-VHSXEESVSA-N -1 3 306.801 2.930 20 0 DFADHM C[C@@H]1CCC[C@H](C)CN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820696572 599585008 /nfs/dbraw/zinc/58/50/08/599585008.db2.gz AYRDXIJZQPUWCY-VHSXEESVSA-N -1 3 306.801 2.930 20 0 DFADHM CS[C@H]1CCCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821956075 607385905 /nfs/dbraw/zinc/38/59/05/607385905.db2.gz GQIVQAHZTLIUAW-JTQLQIEISA-N -1 3 307.398 2.728 20 0 DFADHM CS[C@H]1CCCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821956075 607385906 /nfs/dbraw/zinc/38/59/06/607385906.db2.gz GQIVQAHZTLIUAW-JTQLQIEISA-N -1 3 307.398 2.728 20 0 DFADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C1CCC1 ZINC000736505756 599609818 /nfs/dbraw/zinc/60/98/18/599609818.db2.gz MKLINGRSIJHFEN-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C1CCC1 ZINC000736505756 599609820 /nfs/dbraw/zinc/60/98/20/599609820.db2.gz MKLINGRSIJHFEN-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cccc2cc[nH]c21 ZINC000823431550 599621980 /nfs/dbraw/zinc/62/19/80/599621980.db2.gz REYHDFNHWKEVPR-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cccc2cc[nH]c21 ZINC000823431550 599621981 /nfs/dbraw/zinc/62/19/81/599621981.db2.gz REYHDFNHWKEVPR-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM C[C@H]1C[C@H](OC(=O)c2sccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000820649633 599625279 /nfs/dbraw/zinc/62/52/79/599625279.db2.gz NJQNVERSVFVFSE-MYJAWHEDSA-N -1 3 306.391 2.910 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccsc1 ZINC000822937091 599626419 /nfs/dbraw/zinc/62/64/19/599626419.db2.gz ZPFXSQIVBAPODM-AATRIKPKSA-N -1 3 312.354 2.685 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ccsc1 ZINC000822937091 599626420 /nfs/dbraw/zinc/62/64/20/599626420.db2.gz ZPFXSQIVBAPODM-AATRIKPKSA-N -1 3 312.354 2.685 20 0 DFADHM COc1cccc([C@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821860045 599628073 /nfs/dbraw/zinc/62/80/73/599628073.db2.gz WTEIQGKJIKYMDZ-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM COc1cccc([C@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821860045 599628074 /nfs/dbraw/zinc/62/80/74/599628074.db2.gz WTEIQGKJIKYMDZ-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCc1ccsc1 ZINC000826252060 607386639 /nfs/dbraw/zinc/38/66/39/607386639.db2.gz MRUCFBRWSCOYQM-UHFFFAOYSA-N -1 3 314.370 2.636 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCc1ccsc1 ZINC000826252060 607386640 /nfs/dbraw/zinc/38/66/40/607386640.db2.gz MRUCFBRWSCOYQM-UHFFFAOYSA-N -1 3 314.370 2.636 20 0 DFADHM C[C@H]1COc2ccccc2N1Cc1ccccc1-c1nnn[n-]1 ZINC000820814947 599643667 /nfs/dbraw/zinc/64/36/67/599643667.db2.gz ZLXUERHHGRLHPZ-LBPRGKRZSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@H]1COc2ccccc2N1Cc1ccccc1-c1nn[n-]n1 ZINC000820814947 599643668 /nfs/dbraw/zinc/64/36/68/599643668.db2.gz ZLXUERHHGRLHPZ-LBPRGKRZSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820690827 599663963 /nfs/dbraw/zinc/66/39/63/599663963.db2.gz SMYCYRYSNVYZKO-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820690827 599663964 /nfs/dbraw/zinc/66/39/64/599663964.db2.gz SMYCYRYSNVYZKO-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM CCC(C)(C)CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820847796 599673076 /nfs/dbraw/zinc/67/30/76/599673076.db2.gz MDPGHXDUTWPXSY-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CCC(C)(C)CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820847796 599673077 /nfs/dbraw/zinc/67/30/77/599673077.db2.gz MDPGHXDUTWPXSY-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CCC[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821014534 599680267 /nfs/dbraw/zinc/68/02/67/599680267.db2.gz IMTBLTBLTFYCKH-NWDGAFQWSA-N -1 3 316.409 2.758 20 0 DFADHM CCC[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821014534 599680268 /nfs/dbraw/zinc/68/02/68/599680268.db2.gz IMTBLTBLTFYCKH-NWDGAFQWSA-N -1 3 316.409 2.758 20 0 DFADHM CC(C)C[C@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000820067903 599686481 /nfs/dbraw/zinc/68/64/81/599686481.db2.gz NVLQSAHCVLUPCL-GFCCVEGCSA-N -1 3 312.421 2.623 20 0 DFADHM CC(C)C[C@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000820067903 599686482 /nfs/dbraw/zinc/68/64/82/599686482.db2.gz NVLQSAHCVLUPCL-GFCCVEGCSA-N -1 3 312.421 2.623 20 0 DFADHM CO[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)C(C)(C)C ZINC000821677375 599687484 /nfs/dbraw/zinc/68/74/84/599687484.db2.gz VLFGCDFVCWMYIC-GFCCVEGCSA-N -1 3 309.801 2.993 20 0 DFADHM CO[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)C(C)(C)C ZINC000821677375 599687485 /nfs/dbraw/zinc/68/74/85/599687485.db2.gz VLFGCDFVCWMYIC-GFCCVEGCSA-N -1 3 309.801 2.993 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC/C(Cl)=C\Cl ZINC000821701237 599697457 /nfs/dbraw/zinc/69/74/57/599697457.db2.gz HMYUVVVLZNHLGM-VMPITWQZSA-N -1 3 301.133 2.573 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC/C(Cl)=C\Cl ZINC000821701237 599697458 /nfs/dbraw/zinc/69/74/58/599697458.db2.gz HMYUVVVLZNHLGM-VMPITWQZSA-N -1 3 301.133 2.573 20 0 DFADHM CC(=O)Nc1cccc(CN(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000736167943 599710261 /nfs/dbraw/zinc/71/02/61/599710261.db2.gz PGUTUYIWTMGKAZ-UHFFFAOYSA-N -1 3 312.369 2.975 20 0 DFADHM CCCC(=O)NC[C@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000736952982 599784355 /nfs/dbraw/zinc/78/43/55/599784355.db2.gz YXINSDBANDACGB-CHWSQXEVSA-N -1 3 322.405 2.667 20 0 DFADHM COCCN(CCc1ccccc1)Cc1cc(C(=O)[O-])co1 ZINC000737800644 599849506 /nfs/dbraw/zinc/84/95/06/599849506.db2.gz ZLGUHFKLBMIRBO-UHFFFAOYSA-N -1 3 303.358 2.669 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825233422 607406002 /nfs/dbraw/zinc/40/60/02/607406002.db2.gz PFJZUPKSLJSTNV-DHZHZOJOSA-N -1 3 300.362 2.965 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825233422 607406003 /nfs/dbraw/zinc/40/60/03/607406003.db2.gz PFJZUPKSLJSTNV-DHZHZOJOSA-N -1 3 300.362 2.965 20 0 DFADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N(CCN(C)C)CC(C)C ZINC000320264194 599957903 /nfs/dbraw/zinc/95/79/03/599957903.db2.gz 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ZINC000312051347 601248124 /nfs/dbraw/zinc/24/81/24/601248124.db2.gz CHCUTVKHPBIVSR-QMMMGPOBSA-N -1 3 303.815 2.781 20 0 DFADHM CN(Cn1nc(C(=O)[O-])c2ccccc21)C1Cc2ccccc2C1 ZINC000830883994 601398482 /nfs/dbraw/zinc/39/84/82/601398482.db2.gz YJAROANBCIYHNW-UHFFFAOYSA-N -1 3 321.380 2.791 20 0 DFADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](C)[C@H]1C ZINC000832918051 601450179 /nfs/dbraw/zinc/45/01/79/601450179.db2.gz SGMBSRHJGZRFOW-RTXFEEFZSA-N -1 3 304.390 2.751 20 0 DFADHM CC(=O)C(C)(C)CCC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000823962626 607509604 /nfs/dbraw/zinc/50/96/04/607509604.db2.gz NMHDDPRUBFUWGR-UHFFFAOYSA-N -1 3 315.377 2.509 20 0 DFADHM CC(=O)C(C)(C)CCC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000823962626 607509606 /nfs/dbraw/zinc/50/96/06/607509606.db2.gz NMHDDPRUBFUWGR-UHFFFAOYSA-N -1 3 315.377 2.509 20 0 DFADHM C[C@H]1CN(Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1C(=O)[O-] ZINC000828462970 601505244 /nfs/dbraw/zinc/50/52/44/601505244.db2.gz NVBBFRPKLFONOZ-JOYOIKCWSA-N -1 3 322.311 2.772 20 0 DFADHM Cc1oc(-c2cccs2)nc1CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000111255255 601511884 /nfs/dbraw/zinc/51/18/84/601511884.db2.gz REZAFDOUHBPGLW-GXSJLCMTSA-N -1 3 306.387 2.864 20 0 DFADHM O=C([O-])CC1(NCc2nc(-c3ccco3)no2)CCCCC1 ZINC000833205371 601554250 /nfs/dbraw/zinc/55/42/50/601554250.db2.gz BDENVJBJBZMIQW-UHFFFAOYSA-N -1 3 305.334 2.597 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCCc2ccccc21 ZINC000826183234 607515882 /nfs/dbraw/zinc/51/58/82/607515882.db2.gz IWROLKVOLUXNAH-UHFFFAOYSA-N -1 3 321.384 2.828 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCCc2ccccc21 ZINC000826183234 607515883 /nfs/dbraw/zinc/51/58/83/607515883.db2.gz IWROLKVOLUXNAH-UHFFFAOYSA-N -1 3 321.384 2.828 20 0 DFADHM CC[C@@](NCc1ccc(OC)nc1)(C(=O)[O-])c1ccccc1 ZINC000828989078 601594599 /nfs/dbraw/zinc/59/45/99/601594599.db2.gz PDSUJDTUKSUTKA-KRWDZBQOSA-N -1 3 300.358 2.570 20 0 DFADHM CC(C)(NCc1cccc(C(=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000819948455 601602004 /nfs/dbraw/zinc/60/20/04/601602004.db2.gz YRAFICLAGKTQQY-UHFFFAOYSA-N -1 3 312.369 2.892 20 0 DFADHM COC(=O)c1cc(CN[C@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000820677723 601627691 /nfs/dbraw/zinc/62/76/91/601627691.db2.gz OESVFPNCSOJRLC-AWEZNQCLSA-N -1 3 319.382 2.759 20 0 DFADHM COC(=O)CC1(NCc2cc(C(=O)[O-])c(C)o2)CCCCC1 ZINC000831138977 601883338 /nfs/dbraw/zinc/88/33/38/601883338.db2.gz SHLBTZQAWFGLQH-UHFFFAOYSA-N -1 3 309.362 2.642 20 0 DFADHM CN(C[C@@H]1CCCCO1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830718593 601902589 /nfs/dbraw/zinc/90/25/89/601902589.db2.gz VKAZKTNUWQVSCF-HZMBPMFUSA-N -1 3 317.307 2.731 20 0 DFADHM O=C([O-])c1ccoc1CN1CCC2(CC1)OCc1ccccc12 ZINC000833333573 601911285 /nfs/dbraw/zinc/91/12/85/601911285.db2.gz JSEDZCAZAVWDOQ-UHFFFAOYSA-N -1 3 313.353 2.999 20 0 DFADHM C[C@]1(C(=O)[O-])CCN(C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000828024780 601943269 /nfs/dbraw/zinc/94/32/69/601943269.db2.gz VVGUXUCWPLIZTJ-JSGCOSHPSA-N -1 3 317.307 2.535 20 0 DFADHM Cc1nccc([C@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)n1 ZINC000833009645 601945958 /nfs/dbraw/zinc/94/59/58/601945958.db2.gz MKMSHSNZHDFCPQ-LBPRGKRZSA-N -1 3 317.414 2.924 20 0 DFADHM Cc1nc(C[C@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)no1 ZINC000832998652 601947738 /nfs/dbraw/zinc/94/77/38/601947738.db2.gz LGOCOYXBYRDFKA-LLVKDONJSA-N -1 3 321.402 2.592 20 0 DFADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@H](CCO)C1 ZINC000833172416 602046749 /nfs/dbraw/zinc/04/67/49/602046749.db2.gz VAMJLMNBTZVSLI-TVQRCGJNSA-N -1 3 318.200 2.823 20 0 DFADHM COc1ccc([C@H](NCCNC(=O)[O-])c2ccccc2)cc1 ZINC000739892148 602047456 /nfs/dbraw/zinc/04/74/56/602047456.db2.gz FLBMCVYMGSINJY-MRXNPFEDSA-N -1 3 300.358 2.642 20 0 DFADHM COc1cc(OC)cc([C@H](NCc2cccc(F)c2)C(=O)[O-])c1 ZINC000832057160 602167406 /nfs/dbraw/zinc/16/74/06/602167406.db2.gz NKTWJHLLHWIJAW-INIZCTEOSA-N -1 3 319.332 2.758 20 0 DFADHM COc1ccc(COc2cc(C)ccc2F)cc1-c1nnn[n-]1 ZINC000826206830 607548894 /nfs/dbraw/zinc/54/88/94/607548894.db2.gz NAVGZNUQARXHMX-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(COc2cc(C)ccc2F)cc1-c1nn[n-]n1 ZINC000826206830 607548896 /nfs/dbraw/zinc/54/88/96/607548896.db2.gz NAVGZNUQARXHMX-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM CN(C)CCN(C(=O)Nc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000737949811 602197386 /nfs/dbraw/zinc/19/73/86/602197386.db2.gz PETQAIKWOGCOPH-UHFFFAOYSA-N -1 3 319.405 2.723 20 0 DFADHM Cc1ccc(-c2nnc([C@@H](C)N3CC[C@H](C(=O)[O-])C3)o2)cc1C ZINC000818858707 602235122 /nfs/dbraw/zinc/23/51/22/602235122.db2.gz AVLCBDHXEMVAML-OCCSQVGLSA-N -1 3 315.373 2.821 20 0 DFADHM Cc1cc(CN2CCC[C@H]2C[C@H](O)c2ccco2)oc1C(=O)[O-] ZINC000832882343 602250244 /nfs/dbraw/zinc/25/02/44/602250244.db2.gz FGOOTAMIVRCXSA-JSGCOSHPSA-N -1 3 319.357 2.967 20 0 DFADHM Cc1cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)oc1C(=O)[O-] ZINC000832882281 602387749 /nfs/dbraw/zinc/38/77/49/602387749.db2.gz BZFTZVVOFKQEOZ-FZMZJTMJSA-N -1 3 303.362 2.566 20 0 DFADHM CN(C(=O)[O-])C1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000737937253 602552612 /nfs/dbraw/zinc/55/26/12/602552612.db2.gz GDPHKIXKXUHFDA-UHFFFAOYSA-N -1 3 315.373 2.515 20 0 DFADHM COc1cc(CN2CC[C@@H](CN(C)C(=O)[O-])C2)ccc1SC ZINC000739859232 602735488 /nfs/dbraw/zinc/73/54/88/602735488.db2.gz IKBFUAFRJNWLFO-ZDUSSCGKSA-N -1 3 324.446 2.849 20 0 DFADHM CCN(CC1CCN(C[C@H](O)c2cccc(F)c2)CC1)C(=O)[O-] ZINC000827092860 603510272 /nfs/dbraw/zinc/51/02/72/603510272.db2.gz JIPMNPQCMFFMLW-INIZCTEOSA-N -1 3 324.396 2.571 20 0 DFADHM O=C([O-])Nc1ccc(CNCCOc2ccc(Cl)cc2)cn1 ZINC000832842162 603534258 /nfs/dbraw/zinc/53/42/58/603534258.db2.gz PDWUTMOZPRAXJP-UHFFFAOYSA-N -1 3 321.764 2.994 20 0 DFADHM CC(C)(CNCc1ccccc1Br)NC(=O)[O-] ZINC000824006095 603576891 /nfs/dbraw/zinc/57/68/91/603576891.db2.gz WGSRRRQULKKJSQ-UHFFFAOYSA-N -1 3 301.184 2.585 20 0 DFADHM COC[C@@H](C)c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826149857 607644353 /nfs/dbraw/zinc/64/43/53/607644353.db2.gz QMZOQAQRKUHEOC-SECBINFHSA-N -1 3 301.375 2.740 20 0 DFADHM COC[C@@H](C)c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826149857 607644355 /nfs/dbraw/zinc/64/43/55/607644355.db2.gz QMZOQAQRKUHEOC-SECBINFHSA-N -1 3 301.375 2.740 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1cccs1 ZINC000826246905 607649386 /nfs/dbraw/zinc/64/93/86/607649386.db2.gz OTBKEYDUGAPCAC-SNVBAGLBSA-N -1 3 313.386 2.728 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1cccs1 ZINC000826246905 607649388 /nfs/dbraw/zinc/64/93/88/607649388.db2.gz OTBKEYDUGAPCAC-SNVBAGLBSA-N -1 3 313.386 2.728 20 0 DFADHM CCC(CC)(CNC(=O)[O-])NCc1cn2cc(C)ccc2n1 ZINC000826547214 603733728 /nfs/dbraw/zinc/73/37/28/603733728.db2.gz ATHJBRTUMOEMAF-UHFFFAOYSA-N -1 3 304.394 2.559 20 0 DFADHM Cc1csc(SCC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826320907 607656931 /nfs/dbraw/zinc/65/69/31/607656931.db2.gz JKXZDHSBWJMMRM-UHFFFAOYSA-N -1 3 317.399 2.607 20 0 DFADHM Cc1csc(SCC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826320907 607656933 /nfs/dbraw/zinc/65/69/33/607656933.db2.gz JKXZDHSBWJMMRM-UHFFFAOYSA-N -1 3 317.399 2.607 20 0 DFADHM CCc1noc(C)c1CN1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000827662429 603900472 /nfs/dbraw/zinc/90/04/72/603900472.db2.gz 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/nfs/dbraw/zinc/05/38/91/604053891.db2.gz NCMQNTOMMVSJCD-UHFFFAOYSA-N -1 3 324.446 2.862 20 0 DFADHM C[C@@H]1CN(CC2CCN(C(=O)[O-])CC2)[C@H](c2ccccc2)CO1 ZINC000826046945 604111000 /nfs/dbraw/zinc/11/10/00/604111000.db2.gz APCVWHGSSCQKAS-PBHICJAKSA-N -1 3 318.417 2.838 20 0 DFADHM CCC(CC)N(C(=O)c1ccc(-c2nnn[n-]2)cc1C)C1CC1 ZINC000825107967 607679862 /nfs/dbraw/zinc/67/98/62/607679862.db2.gz SSCVWBMTQOFNSJ-UHFFFAOYSA-N -1 3 313.405 2.968 20 0 DFADHM CCC(CC)N(C(=O)c1ccc(-c2nn[n-]n2)cc1C)C1CC1 ZINC000825107967 607679863 /nfs/dbraw/zinc/67/98/63/607679863.db2.gz SSCVWBMTQOFNSJ-UHFFFAOYSA-N -1 3 313.405 2.968 20 0 DFADHM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C)c1 ZINC000826209727 607680566 /nfs/dbraw/zinc/68/05/66/607680566.db2.gz NVFWIISESQHEHR-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC000826209727 607680568 /nfs/dbraw/zinc/68/05/68/607680568.db2.gz NVFWIISESQHEHR-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM 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C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc3nsnc32)C1 ZINC000825262264 605160990 /nfs/dbraw/zinc/16/09/90/605160990.db2.gz ABNWKMYCYIMIAN-MNOVXSKESA-N -1 3 320.418 2.559 20 0 DFADHM CC(C)CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC000824243101 607739308 /nfs/dbraw/zinc/73/93/08/607739308.db2.gz DJJMBDLDHMUABQ-CYBMUJFWSA-N -1 3 318.425 2.776 20 0 DFADHM CC(C)CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC000824243101 607739309 /nfs/dbraw/zinc/73/93/09/607739309.db2.gz DJJMBDLDHMUABQ-CYBMUJFWSA-N -1 3 318.425 2.776 20 0 DFADHM C[C@@]1(NCc2nnc(C3CC3)n2C2CC2)CCCC[C@H]1C(=O)[O-] ZINC000833571456 605267725 /nfs/dbraw/zinc/26/77/25/605267725.db2.gz ZTOXYKRDBIHHMP-SUMWQHHRSA-N -1 3 318.421 2.614 20 0 DFADHM O=C([O-])c1occc1CNCc1ccccc1Cn1cccn1 ZINC000833785458 605273966 /nfs/dbraw/zinc/27/39/66/605273966.db2.gz WVJOUZAVQQFGNS-UHFFFAOYSA-N -1 3 311.341 2.512 20 0 DFADHM CC(C)(C)[C@H]1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000833426890 605426390 /nfs/dbraw/zinc/42/63/90/605426390.db2.gz 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/nfs/dbraw/zinc/57/76/06/605577606.db2.gz PTIOPAQLXCFQJM-AWEZNQCLSA-N -1 3 304.390 2.565 20 0 DFADHM O=C([O-])N1CCC[C@H](N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)C1 ZINC000834098511 605598096 /nfs/dbraw/zinc/59/80/96/605598096.db2.gz LFGNZNRIWGCABU-XHSDSOJGSA-N -1 3 322.380 2.778 20 0 DFADHM O=C([O-])N[C@H]1C[C@@H](NCc2cccc(CO)c2)c2ccccc21 ZINC000834159261 605798466 /nfs/dbraw/zinc/79/84/66/605798466.db2.gz RNSQCYRUPGXLPP-SJORKVTESA-N -1 3 312.369 2.722 20 0 DFADHM Cc1ccc([C@H](O)CN[C@H]2C[C@H](NC(=O)[O-])c3ccccc32)o1 ZINC000833905701 605799038 /nfs/dbraw/zinc/79/90/38/605799038.db2.gz XLKUUYKOEWWVNX-SOUVJXGZSA-N -1 3 316.357 2.665 20 0 DFADHM O=C([O-])N1CC[C@@H](NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000831963735 605836943 /nfs/dbraw/zinc/83/69/43/605836943.db2.gz MWGCYGAKFQCBKY-CQSZACIVSA-N -1 3 313.357 2.716 20 0 DFADHM O=C([O-])NC[C@@H](NCCn1ccnc1)c1ccc2ccccc2c1 ZINC000834207748 605974693 /nfs/dbraw/zinc/97/46/93/605974693.db2.gz RAOYAIMIRBOTGD-QGZVFWFLSA-N -1 3 324.384 2.635 20 0 DFADHM CN(Cc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000821618126 606029261 /nfs/dbraw/zinc/02/92/61/606029261.db2.gz RLLWCNFCCINWSK-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CN(Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000821618126 606029266 /nfs/dbraw/zinc/02/92/66/606029266.db2.gz RLLWCNFCCINWSK-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CCO[C@H](CCNc1nc(C)cc(C)c1-c1nnn[n-]1)C(C)C ZINC000821350846 606039379 /nfs/dbraw/zinc/03/93/79/606039379.db2.gz FHRGFDDTOBWTBC-CYBMUJFWSA-N -1 3 318.425 2.742 20 0 DFADHM CCO[C@H](CCNc1nc(C)cc(C)c1-c1nn[n-]n1)C(C)C ZINC000821350846 606039385 /nfs/dbraw/zinc/03/93/85/606039385.db2.gz FHRGFDDTOBWTBC-CYBMUJFWSA-N -1 3 318.425 2.742 20 0 DFADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1c(F)cccc1F ZINC000820455044 606049585 /nfs/dbraw/zinc/04/95/85/606049585.db2.gz BLVFDHJWBARGFB-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1c(F)cccc1F ZINC000820455044 606049588 /nfs/dbraw/zinc/04/95/88/606049588.db2.gz BLVFDHJWBARGFB-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM COc1ccc(CC[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821790954 606058737 /nfs/dbraw/zinc/05/87/37/606058737.db2.gz XHCNKHWSOPBSIH-LBPRGKRZSA-N -1 3 324.388 2.704 20 0 DFADHM COc1ccc(CC[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821790954 606058741 /nfs/dbraw/zinc/05/87/41/606058741.db2.gz XHCNKHWSOPBSIH-LBPRGKRZSA-N -1 3 324.388 2.704 20 0 DFADHM Clc1ccccc1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC000822585611 606059053 /nfs/dbraw/zinc/05/90/53/606059053.db2.gz HDFCYABKTBLTAF-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1ccccc1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC000822585611 606059058 /nfs/dbraw/zinc/05/90/58/606059058.db2.gz HDFCYABKTBLTAF-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Cc1cccc2ncnc(Oc3ccc(-c4nnn[n-]4)cc3)c12 ZINC000822341010 606061918 /nfs/dbraw/zinc/06/19/18/606061918.db2.gz QHOYMZLYKNTRQK-UHFFFAOYSA-N -1 3 304.313 2.911 20 0 DFADHM Cc1cccc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3)c12 ZINC000822341010 606061924 /nfs/dbraw/zinc/06/19/24/606061924.db2.gz QHOYMZLYKNTRQK-UHFFFAOYSA-N -1 3 304.313 2.911 20 0 DFADHM Fc1ccc2c(CCNc3ccc(-c4nnn[n-]4)nc3)c[nH]c2c1 ZINC000822782885 606064435 /nfs/dbraw/zinc/06/44/35/606064435.db2.gz KQWDNMBGDFOBLD-UHFFFAOYSA-N -1 3 323.335 2.537 20 0 DFADHM Fc1ccc2c(CCNc3ccc(-c4nn[n-]n4)nc3)c[nH]c2c1 ZINC000822782885 606064440 /nfs/dbraw/zinc/06/44/40/606064440.db2.gz KQWDNMBGDFOBLD-UHFFFAOYSA-N -1 3 323.335 2.537 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820665152 606087249 /nfs/dbraw/zinc/08/72/49/606087249.db2.gz DQIANQBRHBSXLI-OCCSQVGLSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820665152 606087253 /nfs/dbraw/zinc/08/72/53/606087253.db2.gz DQIANQBRHBSXLI-OCCSQVGLSA-N -1 3 306.373 2.644 20 0 DFADHM Cc1noc(C)c1CCN1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000833930059 606091161 /nfs/dbraw/zinc/09/11/61/606091161.db2.gz CVLAIPIXTYLPPC-MRXNPFEDSA-N -1 3 321.421 2.688 20 0 DFADHM CCS[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821456865 606098189 /nfs/dbraw/zinc/09/81/89/606098189.db2.gz SHLXPTYCUZWZRP-ZYHUDNBSSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821456865 606098193 /nfs/dbraw/zinc/09/81/93/606098193.db2.gz SHLXPTYCUZWZRP-ZYHUDNBSSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821454935 606105366 /nfs/dbraw/zinc/10/53/66/606105366.db2.gz HTDUUYDDCWSALK-DGCLKSJQSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821454935 606105367 /nfs/dbraw/zinc/10/53/67/606105367.db2.gz HTDUUYDDCWSALK-DGCLKSJQSA-N -1 3 304.423 2.738 20 0 DFADHM O=C(CCC1CCC1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822950301 606132754 /nfs/dbraw/zinc/13/27/54/606132754.db2.gz JDIUYMNEZZBMRI-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(CCC1CCC1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822950301 606132755 /nfs/dbraw/zinc/13/27/55/606132755.db2.gz JDIUYMNEZZBMRI-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM C[C@@H](NC(=O)[C@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820322748 606147452 /nfs/dbraw/zinc/14/74/52/606147452.db2.gz VEOAZIZOJGMDOT-BXUZGUMPSA-N -1 3 311.389 2.624 20 0 DFADHM C[C@@H](NC(=O)[C@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820322748 606147453 /nfs/dbraw/zinc/14/74/53/606147453.db2.gz VEOAZIZOJGMDOT-BXUZGUMPSA-N -1 3 311.389 2.624 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cn2c(cccc2C)n1 ZINC000822221466 606156389 /nfs/dbraw/zinc/15/63/89/606156389.db2.gz PPENCAFGVIEVFS-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cn2c(cccc2C)n1 ZINC000822221466 606156391 /nfs/dbraw/zinc/15/63/91/606156391.db2.gz PPENCAFGVIEVFS-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM c1ccc(-c2nnn[n-]2)c(CSCc2noc(C3CC3)n2)c1 ZINC000823772321 606179053 /nfs/dbraw/zinc/17/90/53/606179053.db2.gz JKCWHDZGXDVMBH-UHFFFAOYSA-N -1 3 314.374 2.561 20 0 DFADHM c1ccc(-c2nn[n-]n2)c(CSCc2noc(C3CC3)n2)c1 ZINC000823772321 606179055 /nfs/dbraw/zinc/17/90/55/606179055.db2.gz JKCWHDZGXDVMBH-UHFFFAOYSA-N -1 3 314.374 2.561 20 0 DFADHM C[C@@H](C1CC1)n1nccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000820220889 606215594 /nfs/dbraw/zinc/21/55/94/606215594.db2.gz YTIXOGIUJUGJEI-VIFPVBQESA-N -1 3 315.406 2.708 20 0 DFADHM C[C@@H](C1CC1)n1nccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000820220889 606215596 /nfs/dbraw/zinc/21/55/96/606215596.db2.gz YTIXOGIUJUGJEI-VIFPVBQESA-N -1 3 315.406 2.708 20 0 DFADHM CCc1nc([C@@H](C)NCc2cc(-c3nnn[n-]3)cs2)cs1 ZINC000821504447 606218115 /nfs/dbraw/zinc/21/81/15/606218115.db2.gz DOVHQEQXVKJXHA-MRVPVSSYSA-N -1 3 320.447 2.798 20 0 DFADHM CCc1nc([C@@H](C)NCc2cc(-c3nn[n-]n3)cs2)cs1 ZINC000821504447 606218117 /nfs/dbraw/zinc/21/81/17/606218117.db2.gz DOVHQEQXVKJXHA-MRVPVSSYSA-N -1 3 320.447 2.798 20 0 DFADHM C[C@@]1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623811 606243166 /nfs/dbraw/zinc/24/31/66/606243166.db2.gz ZIMWCARMIYDIDK-HIFRSBDPSA-N -1 3 321.812 2.873 20 0 DFADHM C[C@@]1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623811 606243167 /nfs/dbraw/zinc/24/31/67/606243167.db2.gz ZIMWCARMIYDIDK-HIFRSBDPSA-N -1 3 321.812 2.873 20 0 DFADHM CC(C)C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC000820056257 606246057 /nfs/dbraw/zinc/24/60/57/606246057.db2.gz NYLXJFQHEVGXGM-AWEZNQCLSA-N -1 3 324.388 2.712 20 0 DFADHM CC(C)C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC000820056257 606246059 /nfs/dbraw/zinc/24/60/59/606246059.db2.gz NYLXJFQHEVGXGM-AWEZNQCLSA-N -1 3 324.388 2.712 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000822226568 606264959 /nfs/dbraw/zinc/26/49/59/606264959.db2.gz YOWROZHRIFOVKS-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000822226568 606264960 /nfs/dbraw/zinc/26/49/60/606264960.db2.gz YOWROZHRIFOVKS-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1ccsc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822380124 606267065 /nfs/dbraw/zinc/26/70/65/606267065.db2.gz YZBSYIPJXBTLED-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1ccsc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822380124 606267067 /nfs/dbraw/zinc/26/70/67/606267067.db2.gz YZBSYIPJXBTLED-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000822284773 606268426 /nfs/dbraw/zinc/26/84/26/606268426.db2.gz ZNNIIMVLIZBEIC-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000822284773 606268428 /nfs/dbraw/zinc/26/84/28/606268428.db2.gz ZNNIIMVLIZBEIC-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM O=C(C=Cc1cccs1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822937051 606268789 /nfs/dbraw/zinc/26/87/89/606268789.db2.gz ZGXWOUVECKMXDV-GQCTYLIASA-N -1 3 315.333 2.719 20 0 DFADHM O=C(C=Cc1cccs1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822937051 606268792 /nfs/dbraw/zinc/26/87/92/606268792.db2.gz ZGXWOUVECKMXDV-GQCTYLIASA-N -1 3 315.333 2.719 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)o1 ZINC000823346102 606272255 /nfs/dbraw/zinc/27/22/55/606272255.db2.gz ILTVXDRLXCSSBG-UHFFFAOYSA-N -1 3 307.672 2.505 20 0 DFADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)o1 ZINC000823346102 606272257 /nfs/dbraw/zinc/27/22/57/606272257.db2.gz ILTVXDRLXCSSBG-UHFFFAOYSA-N -1 3 307.672 2.505 20 0 DFADHM C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820241153 606275489 /nfs/dbraw/zinc/27/54/89/606275489.db2.gz FHZCPDAJPMKUTF-LLVKDONJSA-N -1 3 316.409 2.674 20 0 DFADHM C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820241153 606275490 /nfs/dbraw/zinc/27/54/90/606275490.db2.gz FHZCPDAJPMKUTF-LLVKDONJSA-N -1 3 316.409 2.674 20 0 DFADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000821573285 606316848 /nfs/dbraw/zinc/31/68/48/606316848.db2.gz JHWGYAOYJZHUFI-UHFFFAOYSA-N -1 3 324.388 2.769 20 0 DFADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000821573285 606316849 /nfs/dbraw/zinc/31/68/49/606316849.db2.gz JHWGYAOYJZHUFI-UHFFFAOYSA-N -1 3 324.388 2.769 20 0 DFADHM CC(C)(C)c1nnc(CSc2cccc(-c3nnn[n-]3)c2)o1 ZINC000819971884 606324877 /nfs/dbraw/zinc/32/48/77/606324877.db2.gz VVMDIZNFHRBCBE-UHFFFAOYSA-N -1 3 316.390 2.840 20 0 DFADHM CC(C)(C)c1nnc(CSc2cccc(-c3nn[n-]n3)c2)o1 ZINC000819971884 606324878 /nfs/dbraw/zinc/32/48/78/606324878.db2.gz VVMDIZNFHRBCBE-UHFFFAOYSA-N -1 3 316.390 2.840 20 0 DFADHM C[C@H](OC(=O)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512777 606339119 /nfs/dbraw/zinc/33/91/19/606339119.db2.gz OKKXSLKPMDWYBW-JTQLQIEISA-N -1 3 312.304 2.924 20 0 DFADHM C[C@H](OC(=O)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512777 606339121 /nfs/dbraw/zinc/33/91/21/606339121.db2.gz OKKXSLKPMDWYBW-JTQLQIEISA-N -1 3 312.304 2.924 20 0 DFADHM COc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821772588 606339728 /nfs/dbraw/zinc/33/97/28/606339728.db2.gz HEXKAOOTGYSMRM-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM COc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821772588 606339730 /nfs/dbraw/zinc/33/97/30/606339730.db2.gz HEXKAOOTGYSMRM-LLVKDONJSA-N -1 3 324.340 2.793 20 0 DFADHM C[C@@H](OC(=O)CCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498186 606344314 /nfs/dbraw/zinc/34/43/14/606344314.db2.gz ZCPZIVLTKKUWQK-LLVKDONJSA-N -1 3 312.329 2.697 20 0 DFADHM C[C@@H](OC(=O)CCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498186 606344316 /nfs/dbraw/zinc/34/43/16/606344316.db2.gz ZCPZIVLTKKUWQK-LLVKDONJSA-N -1 3 312.329 2.697 20 0 DFADHM C[C@H](OC(=O)[C@@H](C)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488741 606345588 /nfs/dbraw/zinc/34/55/88/606345588.db2.gz SWHXXJPQAMYXEJ-RYUDHWBXSA-N -1 3 323.356 2.670 20 0 DFADHM C[C@H](OC(=O)[C@@H](C)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488741 606345589 /nfs/dbraw/zinc/34/55/89/606345589.db2.gz SWHXXJPQAMYXEJ-RYUDHWBXSA-N -1 3 323.356 2.670 20 0 DFADHM C[C@@H](OC(=O)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820511905 606349561 /nfs/dbraw/zinc/34/95/61/606349561.db2.gz FENUQDPLLXJFFN-SNVBAGLBSA-N -1 3 312.304 2.924 20 0 DFADHM C[C@@H](OC(=O)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820511905 606349564 /nfs/dbraw/zinc/34/95/64/606349564.db2.gz FENUQDPLLXJFFN-SNVBAGLBSA-N -1 3 312.304 2.924 20 0 DFADHM C[C@@H](OC(=O)[C@@H]1Cc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487487 606354097 /nfs/dbraw/zinc/35/40/97/606354097.db2.gz HIGFCSBWVJUVIV-BDJLRTHQSA-N -1 3 320.352 2.811 20 0 DFADHM C[C@@H](OC(=O)[C@@H]1Cc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487487 606354099 /nfs/dbraw/zinc/35/40/99/606354099.db2.gz HIGFCSBWVJUVIV-BDJLRTHQSA-N -1 3 320.352 2.811 20 0 DFADHM C[C@H](OC(=O)CCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486950 606356843 /nfs/dbraw/zinc/35/68/43/606356843.db2.gz DPHRTLBBKINIIU-QMMMGPOBSA-N -1 3 314.267 2.813 20 0 DFADHM C[C@H](OC(=O)CCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486950 606356841 /nfs/dbraw/zinc/35/68/41/606356841.db2.gz DPHRTLBBKINIIU-QMMMGPOBSA-N -1 3 314.267 2.813 20 0 DFADHM CC(C)CO[C@@H](C)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820097523 606359008 /nfs/dbraw/zinc/35/90/08/606359008.db2.gz PKUCPMYIKRLLTD-RYUDHWBXSA-N -1 3 318.377 2.532 20 0 DFADHM CC(C)CO[C@@H](C)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820097523 606359010 /nfs/dbraw/zinc/35/90/10/606359010.db2.gz PKUCPMYIKRLLTD-RYUDHWBXSA-N -1 3 318.377 2.532 20 0 DFADHM CCC1(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CCC1 ZINC000820950095 606391868 /nfs/dbraw/zinc/39/18/68/606391868.db2.gz JNFZPWVNDNAKKL-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCC1(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CCC1 ZINC000820950095 606391869 /nfs/dbraw/zinc/39/18/69/606391869.db2.gz JNFZPWVNDNAKKL-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCS[C@H]1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC000821453872 606400453 /nfs/dbraw/zinc/40/04/53/606400453.db2.gz BPPNXJZFJSYAOC-MNOVXSKESA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@H]1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC000821453872 606400455 /nfs/dbraw/zinc/40/04/55/606400455.db2.gz BPPNXJZFJSYAOC-MNOVXSKESA-N -1 3 304.423 2.738 20 0 DFADHM CCCCO[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1(C)C ZINC000821071488 606402761 /nfs/dbraw/zinc/40/27/61/606402761.db2.gz GDGBDUFJCKOMSF-CHWSQXEVSA-N -1 3 316.409 2.657 20 0 DFADHM 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O=C(Nc1cnc2ccccc2c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376108 606488485 /nfs/dbraw/zinc/48/84/85/606488485.db2.gz XEELHHWHNTYZQX-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(C)cc1 ZINC000821153394 606490819 /nfs/dbraw/zinc/49/08/19/606490819.db2.gz AMQJLXLGHOKKGU-UHFFFAOYSA-N -1 3 313.386 2.903 20 0 DFADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(C)cc1 ZINC000821153394 606490820 /nfs/dbraw/zinc/49/08/20/606490820.db2.gz AMQJLXLGHOKKGU-UHFFFAOYSA-N -1 3 313.386 2.903 20 0 DFADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820698309 606492081 /nfs/dbraw/zinc/49/20/81/606492081.db2.gz SQYUTTBLCMYVAX-GXSJLCMTSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820698309 606492082 /nfs/dbraw/zinc/49/20/82/606492082.db2.gz SQYUTTBLCMYVAX-GXSJLCMTSA-N -1 3 305.407 2.579 20 0 DFADHM Cn1ccc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc21 ZINC000822690158 606498064 /nfs/dbraw/zinc/49/80/64/606498064.db2.gz 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C[C@H]1CC/C(=C/C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820674204 606618910 /nfs/dbraw/zinc/61/89/10/606618910.db2.gz BVYFJYKPIWDGQF-IXJPEXDMSA-N -1 3 311.389 2.572 20 0 DFADHM O=C(OCc1ccc(F)cc1F)c1cc(-c2nnn[n-]2)cs1 ZINC000823426174 606635474 /nfs/dbraw/zinc/63/54/74/606635474.db2.gz BMWQSJBLSNZFFK-UHFFFAOYSA-N -1 3 322.296 2.563 20 0 DFADHM O=C(OCc1ccc(F)cc1F)c1cc(-c2nn[n-]n2)cs1 ZINC000823426174 606635475 /nfs/dbraw/zinc/63/54/75/606635475.db2.gz BMWQSJBLSNZFFK-UHFFFAOYSA-N -1 3 322.296 2.563 20 0 DFADHM CC(C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)=C1CCCC1 ZINC000819884373 606635831 /nfs/dbraw/zinc/63/58/31/606635831.db2.gz VSJWKMIEUPZFIT-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM CC(C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)=C1CCCC1 ZINC000819884373 606635832 /nfs/dbraw/zinc/63/58/32/606635832.db2.gz VSJWKMIEUPZFIT-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM COc1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000821824931 606637802 /nfs/dbraw/zinc/63/78/02/606637802.db2.gz QXVQRCSZDWCYAV-UHFFFAOYSA-N -1 3 317.349 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ZINC000821000225 606745670 /nfs/dbraw/zinc/74/56/70/606745670.db2.gz BCIWTMLRHVWFHP-ARJAWSKDSA-N -1 3 308.288 2.658 20 0 DFADHM CCc1oc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821564223 606761047 /nfs/dbraw/zinc/76/10/47/606761047.db2.gz YBCYNNREXQBNCX-UHFFFAOYSA-N -1 3 312.329 2.688 20 0 DFADHM CCc1oc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821564223 606761048 /nfs/dbraw/zinc/76/10/48/606761048.db2.gz YBCYNNREXQBNCX-UHFFFAOYSA-N -1 3 312.329 2.688 20 0 DFADHM CC(C)CC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820063581 606766869 /nfs/dbraw/zinc/76/68/69/606766869.db2.gz WYLVGVVEJUIOLU-UHFFFAOYSA-N -1 3 314.393 2.815 20 0 DFADHM CC(C)CC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820063581 606766871 /nfs/dbraw/zinc/76/68/71/606766871.db2.gz WYLVGVVEJUIOLU-UHFFFAOYSA-N -1 3 314.393 2.815 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)C)cc1 ZINC000822135486 606776272 /nfs/dbraw/zinc/77/62/72/606776272.db2.gz BRDJOKNCJKJJER-UHFFFAOYSA-N -1 3 323.356 2.669 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)C)cc1 ZINC000822135486 606776273 /nfs/dbraw/zinc/77/62/73/606776273.db2.gz BRDJOKNCJKJJER-UHFFFAOYSA-N -1 3 323.356 2.669 20 0 DFADHM CCc1noc(C)c1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821552926 606781057 /nfs/dbraw/zinc/78/10/57/606781057.db2.gz BIEVVXCEPTTYLS-UHFFFAOYSA-N -1 3 319.752 2.958 20 0 DFADHM CCc1noc(C)c1COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821552926 606781058 /nfs/dbraw/zinc/78/10/58/606781058.db2.gz BIEVVXCEPTTYLS-UHFFFAOYSA-N -1 3 319.752 2.958 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(OCCOc2ccccc2)c1 ZINC000822568676 606781677 /nfs/dbraw/zinc/78/16/77/606781677.db2.gz WFSVLVVZEUACTQ-UHFFFAOYSA-N -1 3 316.748 2.978 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(OCCOc2ccccc2)c1 ZINC000822568676 606781681 /nfs/dbraw/zinc/78/16/81/606781681.db2.gz WFSVLVVZEUACTQ-UHFFFAOYSA-N -1 3 316.748 2.978 20 0 DFADHM OCCCCCCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823717465 606786285 /nfs/dbraw/zinc/78/62/85/606786285.db2.gz HHAVTMZLRXSYPT-UHFFFAOYSA-N -1 3 310.785 2.842 20 0 DFADHM OCCCCCCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823717465 606786287 /nfs/dbraw/zinc/78/62/87/606786287.db2.gz HHAVTMZLRXSYPT-UHFFFAOYSA-N -1 3 310.785 2.842 20 0 DFADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)C(F)=C1CCCC1 ZINC000823413200 606797612 /nfs/dbraw/zinc/79/76/12/606797612.db2.gz CETLLXPPKHLHAD-UHFFFAOYSA-N -1 3 320.299 2.847 20 0 DFADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)C(F)=C1CCCC1 ZINC000823413200 606797614 /nfs/dbraw/zinc/79/76/14/606797614.db2.gz CETLLXPPKHLHAD-UHFFFAOYSA-N -1 3 320.299 2.847 20 0 DFADHM CC(C)c1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000820192541 606808667 /nfs/dbraw/zinc/80/86/67/606808667.db2.gz SMHIYPBHESAXOM-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000820192541 606808669 /nfs/dbraw/zinc/80/86/69/606808669.db2.gz SMHIYPBHESAXOM-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CCC1(C(=O)OCc2ccccc2-c2nnn[n-]2)CCCC1 ZINC000820949933 606829841 /nfs/dbraw/zinc/82/98/41/606829841.db2.gz HXBYPOLFFMPCAZ-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM CCC1(C(=O)OCc2ccccc2-c2nn[n-]n2)CCCC1 ZINC000820949933 606829843 /nfs/dbraw/zinc/82/98/43/606829843.db2.gz HXBYPOLFFMPCAZ-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(F)=C1CCCC1 ZINC000821756992 606835087 /nfs/dbraw/zinc/83/50/87/606835087.db2.gz SRPASHMUFGXSPD-UHFFFAOYSA-N -1 3 317.324 2.611 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(F)=C1CCCC1 ZINC000821756992 606835089 /nfs/dbraw/zinc/83/50/89/606835089.db2.gz SRPASHMUFGXSPD-UHFFFAOYSA-N -1 3 317.324 2.611 20 0 DFADHM Cc1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)no1 ZINC000822444792 606851565 /nfs/dbraw/zinc/85/15/65/606851565.db2.gz ZITZYWANOMINGB-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM Cc1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)no1 ZINC000822444792 606851567 /nfs/dbraw/zinc/85/15/67/606851567.db2.gz ZITZYWANOMINGB-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM CCc1nnc(CSc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000821517657 606851735 /nfs/dbraw/zinc/85/17/35/606851735.db2.gz MHUSLQMXGMQTTD-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM CCc1nnc(CSc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000821517657 606851736 /nfs/dbraw/zinc/85/17/36/606851736.db2.gz MHUSLQMXGMQTTD-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM c1cn(C2CCCC2)nc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000823743348 606863115 /nfs/dbraw/zinc/86/31/15/606863115.db2.gz YRCVQLKKRZHXOT-UHFFFAOYSA-N -1 3 309.377 2.790 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC/C(Cl)=C\Cl ZINC000821765356 606863766 /nfs/dbraw/zinc/86/37/66/606863766.db2.gz BADUBIVVRKXDBA-VMPITWQZSA-N -1 3 300.149 2.606 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC/C(Cl)=C\Cl ZINC000821765356 606863768 /nfs/dbraw/zinc/86/37/68/606863768.db2.gz BADUBIVVRKXDBA-VMPITWQZSA-N -1 3 300.149 2.606 20 0 DFADHM CCC[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821041110 606869452 /nfs/dbraw/zinc/86/94/52/606869452.db2.gz ZGDCBKFEIQEYKI-GFCCVEGCSA-N -1 3 314.393 2.911 20 0 DFADHM CCC[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821041110 606869454 /nfs/dbraw/zinc/86/94/54/606869454.db2.gz ZGDCBKFEIQEYKI-GFCCVEGCSA-N -1 3 314.393 2.911 20 0 DFADHM CC[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820876882 606900754 /nfs/dbraw/zinc/90/07/54/606900754.db2.gz VMKUPRRVKCKHMG-SSDOTTSWSA-N -1 3 314.267 2.841 20 0 DFADHM CC[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820876882 606900756 /nfs/dbraw/zinc/90/07/56/606900756.db2.gz VMKUPRRVKCKHMG-SSDOTTSWSA-N -1 3 314.267 2.841 20 0 DFADHM CCc1nnc(Sc2ccccc2)c(-c2nnn[n-]2)c1CC ZINC000821548030 606909614 /nfs/dbraw/zinc/90/96/14/606909614.db2.gz GWBONOANKJSMIP-UHFFFAOYSA-N -1 3 312.402 2.933 20 0 DFADHM CCc1nnc(Sc2ccccc2)c(-c2nn[n-]n2)c1CC ZINC000821548030 606909616 /nfs/dbraw/zinc/90/96/16/606909616.db2.gz GWBONOANKJSMIP-UHFFFAOYSA-N -1 3 312.402 2.933 20 0 DFADHM CCN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000821169956 606921273 /nfs/dbraw/zinc/92/12/73/606921273.db2.gz JNYBAGODYPGWOG-QGZVFWFLSA-N -1 3 323.400 2.735 20 0 DFADHM CCN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000821169956 606921275 /nfs/dbraw/zinc/92/12/75/606921275.db2.gz JNYBAGODYPGWOG-QGZVFWFLSA-N -1 3 323.400 2.735 20 0 DFADHM COc1cc(F)c(NCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821719695 606931281 /nfs/dbraw/zinc/93/12/81/606931281.db2.gz HWEPHAPKMZQPDR-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1cc(F)c(NCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821719695 606931283 /nfs/dbraw/zinc/93/12/83/606931283.db2.gz HWEPHAPKMZQPDR-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@]2(C)CCCS2)n1 ZINC000822192947 606946885 /nfs/dbraw/zinc/94/68/85/606946885.db2.gz GMJQOVODNJNXMD-AWEZNQCLSA-N -1 3 304.423 2.576 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@]2(C)CCCS2)n1 ZINC000822192947 606946886 /nfs/dbraw/zinc/94/68/86/606946886.db2.gz GMJQOVODNJNXMD-AWEZNQCLSA-N -1 3 304.423 2.576 20 0 DFADHM CSC=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000821956011 606955193 /nfs/dbraw/zinc/95/51/93/606955193.db2.gz FFAIIORUAPPZLJ-VOTSOKGWSA-N -1 3 321.431 2.622 20 0 DFADHM CS/C=C/C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000821956011 606955194 /nfs/dbraw/zinc/95/51/94/606955194.db2.gz FFAIIORUAPPZLJ-VOTSOKGWSA-N -1 3 321.431 2.622 20 0 DFADHM Cc1cccc2c1N(Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000822341555 606964658 /nfs/dbraw/zinc/96/46/58/606964658.db2.gz ZSCRMLQDXSKRHA-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1cccc2c1N(Cc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000822341555 606964660 /nfs/dbraw/zinc/96/46/60/606964660.db2.gz ZSCRMLQDXSKRHA-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM CCn1ccnc1SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821566540 607007953 /nfs/dbraw/zinc/00/79/53/607007953.db2.gz ISDQHHOPLQDWRX-UHFFFAOYSA-N -1 3 304.354 2.515 20 0 DFADHM CCn1ccnc1SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821566540 607007954 /nfs/dbraw/zinc/00/79/54/607007954.db2.gz ISDQHHOPLQDWRX-UHFFFAOYSA-N -1 3 304.354 2.515 20 0 DFADHM Fc1ccc(COc2cccnc2Cl)cc1-c1nnn[n-]1 ZINC000822772267 607010495 /nfs/dbraw/zinc/01/04/95/607010495.db2.gz VFGIXBKLFMSNJJ-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1ccc(COc2cccnc2Cl)cc1-c1nn[n-]n1 ZINC000822772267 607010496 /nfs/dbraw/zinc/01/04/96/607010496.db2.gz VFGIXBKLFMSNJJ-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(Cn2cc(-c3ccccc3)cn2)c1 ZINC000822758240 607028399 /nfs/dbraw/zinc/02/83/99/607028399.db2.gz MGZOKSCZXPFLOH-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(Cn2cc(-c3ccccc3)cn2)c1 ZINC000822758240 607028401 /nfs/dbraw/zinc/02/84/01/607028401.db2.gz MGZOKSCZXPFLOH-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1noc2c1CCCC2 ZINC000822222615 607030493 /nfs/dbraw/zinc/03/04/93/607030493.db2.gz NUXPIESTYVWVSC-UHFFFAOYSA-N -1 3 311.345 2.621 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1noc2c1CCCC2 ZINC000822222615 607030495 /nfs/dbraw/zinc/03/04/95/607030495.db2.gz NUXPIESTYVWVSC-UHFFFAOYSA-N -1 3 311.345 2.621 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(CSC[C@@H]2CCCCO2)c1 ZINC000822758528 607033954 /nfs/dbraw/zinc/03/39/54/607033954.db2.gz QNZWGMJDKVCTPZ-LBPRGKRZSA-N -1 3 308.382 2.808 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(CSC[C@@H]2CCCCO2)c1 ZINC000822758528 607033955 /nfs/dbraw/zinc/03/39/55/607033955.db2.gz QNZWGMJDKVCTPZ-LBPRGKRZSA-N -1 3 308.382 2.808 20 0 DFADHM CC(=O)c1ccccc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819845590 607037611 /nfs/dbraw/zinc/03/76/11/607037611.db2.gz WRQNECDRBVAZIM-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccccc1OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819845590 607037613 /nfs/dbraw/zinc/03/76/13/607037613.db2.gz WRQNECDRBVAZIM-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM Cc1cccc(C)c1CCNc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000822294172 607040186 /nfs/dbraw/zinc/04/01/86/607040186.db2.gz UEIHBNLVUHPZMS-UHFFFAOYSA-N -1 3 323.404 2.545 20 0 DFADHM Cc1cccc(C)c1CCNc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000822294172 607040187 /nfs/dbraw/zinc/04/01/87/607040187.db2.gz UEIHBNLVUHPZMS-UHFFFAOYSA-N -1 3 323.404 2.545 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C1CCC1 ZINC000821118008 607040873 /nfs/dbraw/zinc/04/08/73/607040873.db2.gz DSYKIXIIQGTIBS-UHFFFAOYSA-N -1 3 312.377 2.737 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1cccc(Cl)n1 ZINC000822221369 607041689 /nfs/dbraw/zinc/04/16/89/607041689.db2.gz LXXZTLNZHLCTGG-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1cccc(Cl)n1 ZINC000822221369 607041690 /nfs/dbraw/zinc/04/16/90/607041690.db2.gz LXXZTLNZHLCTGG-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM CC(C)(C)OC1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000819945739 607043546 /nfs/dbraw/zinc/04/35/46/607043546.db2.gz BBUVMPJMRODJAR-UHFFFAOYSA-N -1 3 319.384 2.790 20 0 DFADHM CC(C)(C)OC1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000819945739 607043548 /nfs/dbraw/zinc/04/35/48/607043548.db2.gz BBUVMPJMRODJAR-UHFFFAOYSA-N -1 3 319.384 2.790 20 0 DFADHM C[C@H](O)C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820473491 607045448 /nfs/dbraw/zinc/04/54/48/607045448.db2.gz DYYUPNISSDGKLU-BBRMVZONSA-N -1 3 323.400 2.833 20 0 DFADHM CC(C)C[C@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820068173 607052201 /nfs/dbraw/zinc/05/22/01/607052201.db2.gz OOSHSGLNHIXHSF-CYBMUJFWSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)C[C@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820068173 607052202 /nfs/dbraw/zinc/05/22/02/607052202.db2.gz OOSHSGLNHIXHSF-CYBMUJFWSA-N -1 3 313.405 2.765 20 0 DFADHM CN(Cc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000821607416 607058322 /nfs/dbraw/zinc/05/83/22/607058322.db2.gz NOLAZYDJVOIZSA-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000821607416 607058324 /nfs/dbraw/zinc/05/83/24/607058324.db2.gz NOLAZYDJVOIZSA-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM O=C(CC1CCCC1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822941309 607073898 /nfs/dbraw/zinc/07/38/98/607073898.db2.gz UIKDZDFSKPWFRK-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(CC1CCCC1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822941309 607073899 /nfs/dbraw/zinc/07/38/99/607073899.db2.gz UIKDZDFSKPWFRK-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000823418798 607074663 /nfs/dbraw/zinc/07/46/63/607074663.db2.gz WSCUCBPSXYOSCF-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000823418798 607074665 /nfs/dbraw/zinc/07/46/65/607074665.db2.gz WSCUCBPSXYOSCF-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM CC(C)(C)/C=C/C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819908296 607082331 /nfs/dbraw/zinc/08/23/31/607082331.db2.gz ZRGYBLBAZPAODW-VOTSOKGWSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)(C)/C=C/C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819908296 607082332 /nfs/dbraw/zinc/08/23/32/607082332.db2.gz ZRGYBLBAZPAODW-VOTSOKGWSA-N -1 3 304.325 2.651 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820684573 607090568 /nfs/dbraw/zinc/09/05/68/607090568.db2.gz RIRSYSHWNRVANO-NEPJUHHUSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820684573 607090569 /nfs/dbraw/zinc/09/05/69/607090569.db2.gz RIRSYSHWNRVANO-NEPJUHHUSA-N -1 3 300.362 2.736 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccsc1 ZINC000821310267 607100112 /nfs/dbraw/zinc/10/01/12/607100112.db2.gz YCGHZEXAESCOJD-UHFFFAOYSA-N -1 3 314.374 2.612 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1CC12CCC2 ZINC000823332239 607113673 /nfs/dbraw/zinc/11/36/73/607113673.db2.gz MBEIIRLWJPPSEZ-JTQLQIEISA-N -1 3 303.753 2.649 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1CC12CCC2 ZINC000823332239 607113674 /nfs/dbraw/zinc/11/36/74/607113674.db2.gz MBEIIRLWJPPSEZ-JTQLQIEISA-N -1 3 303.753 2.649 20 0 DFADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1CC=CC1 ZINC000823731682 607113711 /nfs/dbraw/zinc/11/37/11/607113711.db2.gz BTSGTHRQXMPUKG-UHFFFAOYSA-N -1 3 320.809 2.525 20 0 DFADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1CC=CC1 ZINC000823731682 607113713 /nfs/dbraw/zinc/11/37/13/607113713.db2.gz BTSGTHRQXMPUKG-UHFFFAOYSA-N -1 3 320.809 2.525 20 0 DFADHM CC=C(C=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)CC ZINC000820832855 607119622 /nfs/dbraw/zinc/11/96/22/607119622.db2.gz OTCQNBUQKLOMNW-MJYGYMJXSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)CC ZINC000820832855 607119623 /nfs/dbraw/zinc/11/96/23/607119623.db2.gz OTCQNBUQKLOMNW-MJYGYMJXSA-N -1 3 316.336 2.962 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1Oc1ncnc2ccccc21 ZINC000822748002 607128796 /nfs/dbraw/zinc/12/87/96/607128796.db2.gz BXDRSYDLSBDLTF-UHFFFAOYSA-N -1 3 308.276 2.741 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2ccccc21 ZINC000822748002 607128797 /nfs/dbraw/zinc/12/87/97/607128797.db2.gz BXDRSYDLSBDLTF-UHFFFAOYSA-N -1 3 308.276 2.741 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1cccc(Cl)n1 ZINC000822748149 607138646 /nfs/dbraw/zinc/13/86/46/607138646.db2.gz KGIDJJIQLQDORD-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1cccc(Cl)n1 ZINC000822748149 607138647 /nfs/dbraw/zinc/13/86/47/607138647.db2.gz KGIDJJIQLQDORD-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1ccc(Cl)nc1 ZINC000822748026 607139956 /nfs/dbraw/zinc/13/99/56/607139956.db2.gz DGGMCSHOPUBIGW-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1ccc(Cl)nc1 ZINC000822748026 607139957 /nfs/dbraw/zinc/13/99/57/607139957.db2.gz DGGMCSHOPUBIGW-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM CCc1cnc(CSCc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000821499924 607150458 /nfs/dbraw/zinc/15/04/58/607150458.db2.gz WQIIOVWCNHNVBK-UHFFFAOYSA-N -1 3 319.365 2.990 20 0 DFADHM CCc1cnc(CSCc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000821499924 607150460 /nfs/dbraw/zinc/15/04/60/607150460.db2.gz WQIIOVWCNHNVBK-UHFFFAOYSA-N -1 3 319.365 2.990 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)oc1C ZINC000822168769 607157080 /nfs/dbraw/zinc/15/70/80/607157080.db2.gz RQEWHLJWOKREGI-JTQLQIEISA-N -1 3 311.345 2.568 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)oc1C ZINC000822168769 607157077 /nfs/dbraw/zinc/15/70/77/607157077.db2.gz RQEWHLJWOKREGI-JTQLQIEISA-N -1 3 311.345 2.568 20 0 DFADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)oc1C ZINC000822184311 607157341 /nfs/dbraw/zinc/15/73/41/607157341.db2.gz RRVBEBDEHIBSIZ-NSHDSACASA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)oc1C ZINC000822184311 607157343 /nfs/dbraw/zinc/15/73/43/607157343.db2.gz RRVBEBDEHIBSIZ-NSHDSACASA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)oc1C ZINC000822184251 607157483 /nfs/dbraw/zinc/15/74/83/607157483.db2.gz QCTPDXBGKDLTAX-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)oc1C ZINC000822184251 607157485 /nfs/dbraw/zinc/15/74/85/607157485.db2.gz QCTPDXBGKDLTAX-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1cccc(Cl)n1 ZINC000822137244 607158690 /nfs/dbraw/zinc/15/86/90/607158690.db2.gz VARLECXZSIFDGM-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821016007 607164660 /nfs/dbraw/zinc/16/46/60/607164660.db2.gz UVPNVNAJWMKUKL-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821016007 607164661 /nfs/dbraw/zinc/16/46/61/607164661.db2.gz UVPNVNAJWMKUKL-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CCCc1nnc(SCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000821143357 607169564 /nfs/dbraw/zinc/16/95/64/607169564.db2.gz SMUCEWNCTUERAT-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM CCCc1nnc(SCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000821143357 607169565 /nfs/dbraw/zinc/16/95/65/607169565.db2.gz SMUCEWNCTUERAT-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM Cc1ccc(F)c(OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822241142 607169871 /nfs/dbraw/zinc/16/98/71/607169871.db2.gz MCFSJTBUNABCBH-UHFFFAOYSA-N -1 3 312.304 2.576 20 0 DFADHM Cc1ccc(F)c(OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822241142 607169872 /nfs/dbraw/zinc/16/98/72/607169872.db2.gz MCFSJTBUNABCBH-UHFFFAOYSA-N -1 3 312.304 2.576 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(CN2CCc3cccc(F)c32)c1 ZINC000822758693 607177557 /nfs/dbraw/zinc/17/75/57/607177557.db2.gz WFHFZLVFKDUMOH-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCc3cccc(F)c32)c1 ZINC000822758693 607177558 /nfs/dbraw/zinc/17/75/58/607177558.db2.gz WFHFZLVFKDUMOH-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1CC=CCC1 ZINC000823314525 607190356 /nfs/dbraw/zinc/19/03/56/607190356.db2.gz PGOWETCGYNEFIY-SECBINFHSA-N -1 3 303.753 2.815 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CC=CCC1 ZINC000823314525 607190357 /nfs/dbraw/zinc/19/03/57/607190357.db2.gz PGOWETCGYNEFIY-SECBINFHSA-N -1 3 303.753 2.815 20 0 DFADHM CC[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820979149 607200858 /nfs/dbraw/zinc/20/08/58/607200858.db2.gz FSIQLFRFCMHNHE-SNVBAGLBSA-N -1 3 320.784 2.926 20 0 DFADHM CC[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820979149 607200859 /nfs/dbraw/zinc/20/08/59/607200859.db2.gz FSIQLFRFCMHNHE-SNVBAGLBSA-N -1 3 320.784 2.926 20 0 DFADHM CC(C)[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820017185 607201412 /nfs/dbraw/zinc/20/14/12/607201412.db2.gz UHQCJDFCDNPUQC-MRVPVSSYSA-N -1 3 308.773 2.686 20 0 DFADHM CC(C)[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820017185 607201413 /nfs/dbraw/zinc/20/14/13/607201413.db2.gz UHQCJDFCDNPUQC-MRVPVSSYSA-N -1 3 308.773 2.686 20 0 DFADHM CC(C)CC[C@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820073373 607224693 /nfs/dbraw/zinc/22/46/93/607224693.db2.gz TUWKHPQBMVFBJT-LLVKDONJSA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)CC[C@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820073373 607224694 /nfs/dbraw/zinc/22/46/94/607224694.db2.gz TUWKHPQBMVFBJT-LLVKDONJSA-N -1 3 319.434 2.969 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820691788 607246871 /nfs/dbraw/zinc/24/68/71/607246871.db2.gz ZKQDJYZEKFCZCK-KOLCDFICSA-N -1 3 304.325 2.738 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820691788 607246872 /nfs/dbraw/zinc/24/68/72/607246872.db2.gz ZKQDJYZEKFCZCK-KOLCDFICSA-N -1 3 304.325 2.738 20 0 DFADHM O=C(CCc1ccsc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822982175 607247874 /nfs/dbraw/zinc/24/78/74/607247874.db2.gz AMHIFLDPXFXLHD-UHFFFAOYSA-N -1 3 318.333 2.606 20 0 DFADHM O=C(CCc1ccsc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822982175 607247875 /nfs/dbraw/zinc/24/78/75/607247875.db2.gz AMHIFLDPXFXLHD-UHFFFAOYSA-N -1 3 318.333 2.606 20 0 DFADHM CC(C)c1cccnc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824352746 607778454 /nfs/dbraw/zinc/77/84/54/607778454.db2.gz LJABYTKNLQCSHC-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1cccnc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824352746 607778455 /nfs/dbraw/zinc/77/84/55/607778455.db2.gz LJABYTKNLQCSHC-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1cccnc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000824352412 607778464 /nfs/dbraw/zinc/77/84/64/607778464.db2.gz COVWSYVWDVFRRP-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM CC(C)c1cccnc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824352412 607778465 /nfs/dbraw/zinc/77/84/65/607778465.db2.gz COVWSYVWDVFRRP-UHFFFAOYSA-N -1 3 314.374 2.699 20 0 DFADHM CCc1c(C)sc(NC(=O)CO[C@@H](C)CC)c1-c1nnn[n-]1 ZINC000825687237 607785530 /nfs/dbraw/zinc/78/55/30/607785530.db2.gz DLSVATFYLUNFND-QMMMGPOBSA-N -1 3 323.422 2.553 20 0 DFADHM CCc1c(C)sc(NC(=O)CO[C@@H](C)CC)c1-c1nn[n-]n1 ZINC000825687237 607785531 /nfs/dbraw/zinc/78/55/31/607785531.db2.gz DLSVATFYLUNFND-QMMMGPOBSA-N -1 3 323.422 2.553 20 0 DFADHM CC(C)Oc1ccc(NC(=O)[C@H]2CC2(C)C)cc1-c1nnn[n-]1 ZINC000824324325 607794347 /nfs/dbraw/zinc/79/43/47/607794347.db2.gz LCCFYHFWCATZPS-GFCCVEGCSA-N -1 3 315.377 2.639 20 0 DFADHM CC(C)Oc1ccc(NC(=O)[C@H]2CC2(C)C)cc1-c1nn[n-]n1 ZINC000824324325 607794348 /nfs/dbraw/zinc/79/43/48/607794348.db2.gz LCCFYHFWCATZPS-GFCCVEGCSA-N -1 3 315.377 2.639 20 0 DFADHM CCN(C(=O)[C@@H]1Cc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366494 607797174 /nfs/dbraw/zinc/79/71/74/607797174.db2.gz AJMXDZSTBPPXRA-MRXNPFEDSA-N -1 3 319.368 2.560 20 0 DFADHM CCN(C(=O)[C@@H]1Cc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366494 607797175 /nfs/dbraw/zinc/79/71/75/607797175.db2.gz AJMXDZSTBPPXRA-MRXNPFEDSA-N -1 3 319.368 2.560 20 0 DFADHM CCN(C(=O)/C=C1/CC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366597 607798156 /nfs/dbraw/zinc/79/81/56/607798156.db2.gz CICCHGHNOLIQGN-NPRUJURCSA-N -1 3 311.389 2.966 20 0 DFADHM CCN(C(=O)/C=C1/CC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366597 607798157 /nfs/dbraw/zinc/79/81/57/607798157.db2.gz CICCHGHNOLIQGN-NPRUJURCSA-N -1 3 311.389 2.966 20 0 DFADHM Cc1c(NC(=O)NCCC2=CCCC2)cccc1-c1nnn[n-]1 ZINC000826241720 607804237 /nfs/dbraw/zinc/80/42/37/607804237.db2.gz MBZAEDFBEUHNTH-UHFFFAOYSA-N -1 3 312.377 2.797 20 0 DFADHM Cc1c(NC(=O)NCCC2=CCCC2)cccc1-c1nn[n-]n1 ZINC000826241720 607804238 /nfs/dbraw/zinc/80/42/38/607804238.db2.gz MBZAEDFBEUHNTH-UHFFFAOYSA-N -1 3 312.377 2.797 20 0 DFADHM CCC(CC)(CO)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825095512 607810121 /nfs/dbraw/zinc/81/01/21/607810121.db2.gz IESOMXKNPAHYBC-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CCC(CC)(CO)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825095512 607810122 /nfs/dbraw/zinc/81/01/22/607810122.db2.gz IESOMXKNPAHYBC-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM Cc1ccc(C)c(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826284658 607869426 /nfs/dbraw/zinc/86/94/26/607869426.db2.gz AHICSLGDWGJGKS-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc(C)c(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826284658 607869427 /nfs/dbraw/zinc/86/94/27/607869427.db2.gz AHICSLGDWGJGKS-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cc(C)cc([C@@H](O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000826264651 607870322 /nfs/dbraw/zinc/87/03/22/607870322.db2.gz VPXFXKFBTSMNRS-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cc(C)cc([C@@H](O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000826264651 607870323 /nfs/dbraw/zinc/87/03/23/607870323.db2.gz VPXFXKFBTSMNRS-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC1(O)CCCCC1 ZINC000826242844 607874123 /nfs/dbraw/zinc/87/41/23/607874123.db2.gz IXCJFQNPBLIZET-UHFFFAOYSA-N -1 3 302.378 2.558 20 0 DFADHM Cc1cc(C)cc([C@H](O)COc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826264588 607876454 /nfs/dbraw/zinc/87/64/54/607876454.db2.gz SZJASBFESIYQEJ-MRXNPFEDSA-N -1 3 324.384 2.904 20 0 DFADHM CCN(C(=O)C1CCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367207 607878784 /nfs/dbraw/zinc/87/87/84/607878784.db2.gz KYCFZJBLVHQDMR-UHFFFAOYSA-N -1 3 305.769 2.673 20 0 DFADHM CCN(C(=O)C1CCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367207 607878785 /nfs/dbraw/zinc/87/87/85/607878785.db2.gz KYCFZJBLVHQDMR-UHFFFAOYSA-N -1 3 305.769 2.673 20 0 DFADHM Cc1ccnc(CSCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826308657 607880680 /nfs/dbraw/zinc/88/06/80/607880680.db2.gz JSZHUKKXGFYTGM-UHFFFAOYSA-N -1 3 316.365 2.538 20 0 DFADHM Cc1ccnc(CSCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826308657 607880681 /nfs/dbraw/zinc/88/06/81/607880681.db2.gz JSZHUKKXGFYTGM-UHFFFAOYSA-N -1 3 316.365 2.538 20 0 DFADHM Fc1ccc(-c2nc(Cn3ccc(-c4nnn[n-]4)c3)co2)cc1 ZINC000826372855 607890948 /nfs/dbraw/zinc/89/09/48/607890948.db2.gz OJTRWLXJYIDSJL-UHFFFAOYSA-N -1 3 310.292 2.511 20 0 DFADHM Fc1ccc(-c2nc(Cn3ccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000826372855 607890949 /nfs/dbraw/zinc/89/09/49/607890949.db2.gz OJTRWLXJYIDSJL-UHFFFAOYSA-N -1 3 310.292 2.511 20 0 DFADHM Fc1ccc(-c2cc(Cn3ccc(-c4nnn[n-]4)c3)on2)cc1 ZINC000826372632 607891164 /nfs/dbraw/zinc/89/11/64/607891164.db2.gz GCVHEWBPQNTPBP-UHFFFAOYSA-N -1 3 310.292 2.511 20 0 DFADHM Fc1ccc(-c2cc(Cn3ccc(-c4nn[n-]n4)c3)on2)cc1 ZINC000826372632 607891165 /nfs/dbraw/zinc/89/11/65/607891165.db2.gz GCVHEWBPQNTPBP-UHFFFAOYSA-N -1 3 310.292 2.511 20 0 DFADHM c1cn(Cc2csc(C3CCCC3)n2)cc1-c1nnn[n-]1 ZINC000826525158 607892823 /nfs/dbraw/zinc/89/28/23/607892823.db2.gz YRAQMPVBWUEOPU-UHFFFAOYSA-N -1 3 300.391 2.831 20 0 DFADHM c1cn(Cc2csc(C3CCCC3)n2)cc1-c1nn[n-]n1 ZINC000826525158 607892824 /nfs/dbraw/zinc/89/28/24/607892824.db2.gz YRAQMPVBWUEOPU-UHFFFAOYSA-N -1 3 300.391 2.831 20 0 DFADHM CC1=CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824852559 607916680 /nfs/dbraw/zinc/91/66/80/607916680.db2.gz NXTCABIZRBPIOX-UHFFFAOYSA-N -1 3 318.768 2.704 20 0 DFADHM CC1=CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824852559 607916681 /nfs/dbraw/zinc/91/66/81/607916681.db2.gz NXTCABIZRBPIOX-UHFFFAOYSA-N -1 3 318.768 2.704 20 0 DFADHM Fc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000826372093 607936912 /nfs/dbraw/zinc/93/69/12/607936912.db2.gz HLPZPLMTVAOMLO-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM CC(C)(C(=O)Oc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000824065199 607962191 /nfs/dbraw/zinc/96/21/91/607962191.db2.gz WASABEJOHHRUCZ-UHFFFAOYSA-N -1 3 300.362 2.989 20 0 DFADHM CC(C)(C(=O)Oc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000824065199 607962192 /nfs/dbraw/zinc/96/21/92/607962192.db2.gz WASABEJOHHRUCZ-UHFFFAOYSA-N -1 3 300.362 2.989 20 0 DFADHM O=C(OCc1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826466928 608003463 /nfs/dbraw/zinc/00/34/63/608003463.db2.gz ZLMRRSAYQWXMJE-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826466928 608003464 /nfs/dbraw/zinc/00/34/64/608003464.db2.gz ZLMRRSAYQWXMJE-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM Cc1ncc([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826329420 608058533 /nfs/dbraw/zinc/05/85/33/608058533.db2.gz CHOVNKWHDIDFFI-QMMMGPOBSA-N -1 3 318.381 2.622 20 0 DFADHM CCC[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825224920 608113732 /nfs/dbraw/zinc/11/37/32/608113732.db2.gz GWJPFDQHVLZXGR-CQSZACIVSA-N -1 3 301.394 2.555 20 0 DFADHM CCC[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825224920 608113733 /nfs/dbraw/zinc/11/37/33/608113733.db2.gz GWJPFDQHVLZXGR-CQSZACIVSA-N -1 3 301.394 2.555 20 0 DFADHM O=C(CCCC(F)(F)F)Nc1sccc1-c1nnn[n-]1 ZINC000826405268 608149067 /nfs/dbraw/zinc/14/90/67/608149067.db2.gz AEGCAVXOAMRTBG-UHFFFAOYSA-N -1 3 305.285 2.599 20 0 DFADHM O=C(CCCC(F)(F)F)Nc1sccc1-c1nn[n-]n1 ZINC000826405268 608149068 /nfs/dbraw/zinc/14/90/68/608149068.db2.gz AEGCAVXOAMRTBG-UHFFFAOYSA-N -1 3 305.285 2.599 20 0 DFADHM c1ccc2nc(N3CC[C@H](C4CC4)C3)c(-c3nnn[n-]3)cc2c1 ZINC000826524075 608151975 /nfs/dbraw/zinc/15/19/75/608151975.db2.gz IMQWVQGWOXCHFJ-ZDUSSCGKSA-N -1 3 306.373 2.651 20 0 DFADHM c1ccc2nc(N3CC[C@H](C4CC4)C3)c(-c3nn[n-]n3)cc2c1 ZINC000826524075 608151976 /nfs/dbraw/zinc/15/19/76/608151976.db2.gz IMQWVQGWOXCHFJ-ZDUSSCGKSA-N -1 3 306.373 2.651 20 0 DFADHM CN(C(=O)CCCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825818268 608159914 /nfs/dbraw/zinc/15/99/14/608159914.db2.gz ZDXLAOQKGCFZOD-UHFFFAOYSA-N -1 3 313.283 2.562 20 0 DFADHM CN(C(=O)CCCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825818268 608159916 /nfs/dbraw/zinc/15/99/16/608159916.db2.gz ZDXLAOQKGCFZOD-UHFFFAOYSA-N -1 3 313.283 2.562 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CC12CCCCC2 ZINC000826401953 608165204 /nfs/dbraw/zinc/16/52/04/608165204.db2.gz JZGUOZAOCRCPJJ-XVJNWHFHSA-N -1 3 323.400 2.719 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CC12CCCCC2 ZINC000826401953 608165206 /nfs/dbraw/zinc/16/52/06/608165206.db2.gz JZGUOZAOCRCPJJ-XVJNWHFHSA-N -1 3 323.400 2.719 20 0 DFADHM C[C@H]1CCC[C@@H](COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824929755 608170340 /nfs/dbraw/zinc/17/03/40/608170340.db2.gz YNYRQYIHEYIKIG-GXTWGEPZSA-N -1 3 314.389 2.779 20 0 DFADHM C[C@H]1CCC[C@@H](COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824929755 608170342 /nfs/dbraw/zinc/17/03/42/608170342.db2.gz YNYRQYIHEYIKIG-GXTWGEPZSA-N -1 3 314.389 2.779 20 0 DFADHM C[C@H]1CCC[C@H](COC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824928863 608172209 /nfs/dbraw/zinc/17/22/09/608172209.db2.gz VNHVLCGZWOGDME-JSGCOSHPSA-N -1 3 314.389 2.779 20 0 DFADHM C[C@H]1CCC[C@H](COC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824928863 608172212 /nfs/dbraw/zinc/17/22/12/608172212.db2.gz VNHVLCGZWOGDME-JSGCOSHPSA-N -1 3 314.389 2.779 20 0 DFADHM CC(=O)c1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824024356 608186727 /nfs/dbraw/zinc/18/67/27/608186727.db2.gz BEAZEWLOYODZDZ-JTQLQIEISA-N -1 3 308.345 2.637 20 0 DFADHM CC(=O)c1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824024356 608186728 /nfs/dbraw/zinc/18/67/28/608186728.db2.gz BEAZEWLOYODZDZ-JTQLQIEISA-N -1 3 308.345 2.637 20 0 DFADHM C[C@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC12CCC2 ZINC000824961971 608196135 /nfs/dbraw/zinc/19/61/35/608196135.db2.gz LRJFKAGZCZAMJS-LBPRGKRZSA-N -1 3 324.432 2.767 20 0 DFADHM C[C@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC12CCC2 ZINC000824961971 608196137 /nfs/dbraw/zinc/19/61/37/608196137.db2.gz LRJFKAGZCZAMJS-LBPRGKRZSA-N -1 3 324.432 2.767 20 0 DFADHM Cc1ccnc(Cl)c1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826308475 608211884 /nfs/dbraw/zinc/21/18/84/608211884.db2.gz AYCVANKPQGUBLB-UHFFFAOYSA-N -1 3 319.727 2.942 20 0 DFADHM Cc1ccnc(Cl)c1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826308475 608211886 /nfs/dbraw/zinc/21/18/86/608211886.db2.gz AYCVANKPQGUBLB-UHFFFAOYSA-N -1 3 319.727 2.942 20 0 DFADHM Cc1nc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cs1 ZINC000826326243 608223420 /nfs/dbraw/zinc/22/34/20/608223420.db2.gz HJZYNWKLYWYYAP-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM Cc1nc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cs1 ZINC000826326243 608223422 /nfs/dbraw/zinc/22/34/22/608223422.db2.gz HJZYNWKLYWYYAP-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM Cc1cnc(COc2c(C)cc(-c3nn[n-]n3)cc2C)s1 ZINC000826318335 608227401 /nfs/dbraw/zinc/22/74/01/608227401.db2.gz DTUIDAFXZPETCA-UHFFFAOYSA-N -1 3 301.375 2.827 20 0 DFADHM C[C@@H]1C[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@H](C)O1 ZINC000824894037 608236332 /nfs/dbraw/zinc/23/63/32/608236332.db2.gz WUPMUJWXXXIGQV-GNXNZQSNSA-N -1 3 324.388 2.783 20 0 DFADHM C[C@@H]1C[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@H](C)O1 ZINC000824894037 608236333 /nfs/dbraw/zinc/23/63/33/608236333.db2.gz WUPMUJWXXXIGQV-GNXNZQSNSA-N -1 3 324.388 2.783 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825194419 608240361 /nfs/dbraw/zinc/24/03/61/608240361.db2.gz QQGNVOYNOZXUOM-GWCFXTLKSA-N -1 3 300.366 2.662 20 0 DFADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825194419 608240364 /nfs/dbraw/zinc/24/03/64/608240364.db2.gz QQGNVOYNOZXUOM-GWCFXTLKSA-N -1 3 300.366 2.662 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825194732 608245883 /nfs/dbraw/zinc/24/58/83/608245883.db2.gz SLBCHROTDNBWAK-CSJUJBHWSA-N -1 3 311.389 2.669 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825194732 608245884 /nfs/dbraw/zinc/24/58/84/608245884.db2.gz SLBCHROTDNBWAK-CSJUJBHWSA-N -1 3 311.389 2.669 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000826276395 608277066 /nfs/dbraw/zinc/27/70/66/608277066.db2.gz DUNJBSIJHZGKIT-TVQRCGJNSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000826276395 608277067 /nfs/dbraw/zinc/27/70/67/608277067.db2.gz DUNJBSIJHZGKIT-TVQRCGJNSA-N -1 3 310.361 2.899 20 0 DFADHM Cc1occc1CN(C)c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826342751 608277697 /nfs/dbraw/zinc/27/76/97/608277697.db2.gz YHFVYRBFQCGZRX-UHFFFAOYSA-N -1 3 324.388 2.678 20 0 DFADHM Cc1occc1CN(C)c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826342751 608277699 /nfs/dbraw/zinc/27/76/99/608277699.db2.gz YHFVYRBFQCGZRX-UHFFFAOYSA-N -1 3 324.388 2.678 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cccc3cccnc32)n1 ZINC000826277233 608278742 /nfs/dbraw/zinc/27/87/42/608278742.db2.gz OAJOKLBZXNJKNU-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cccc3cccnc32)n1 ZINC000826277233 608278743 /nfs/dbraw/zinc/27/87/43/608278743.db2.gz OAJOKLBZXNJKNU-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000826274249 608283775 /nfs/dbraw/zinc/28/37/75/608283775.db2.gz LCIOYADFPAUDJO-ZDUSSCGKSA-N -1 3 324.363 2.703 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000826274249 608283777 /nfs/dbraw/zinc/28/37/77/608283777.db2.gz LCIOYADFPAUDJO-ZDUSSCGKSA-N -1 3 324.363 2.703 20 0 DFADHM Cc1nc([C@H](C)NCc2cc(-c3nnn[n-]3)ccc2F)cs1 ZINC000826323654 608284522 /nfs/dbraw/zinc/28/45/22/608284522.db2.gz MDRFVUNRAMGIJH-QMMMGPOBSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1nc([C@H](C)NCc2cc(-c3nn[n-]n3)ccc2F)cs1 ZINC000826323654 608284523 /nfs/dbraw/zinc/28/45/23/608284523.db2.gz MDRFVUNRAMGIJH-QMMMGPOBSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1ccsc1CCNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000826262931 608293945 /nfs/dbraw/zinc/29/39/45/608293945.db2.gz DHQZPUMFQHIOAV-UHFFFAOYSA-N -1 3 314.418 2.903 20 0 DFADHM Cc1ccsc1CCNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000826262931 608293947 /nfs/dbraw/zinc/29/39/47/608293947.db2.gz DHQZPUMFQHIOAV-UHFFFAOYSA-N -1 3 314.418 2.903 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@](C)(c3ccccc3)C2)n1 ZINC000826274349 608294937 /nfs/dbraw/zinc/29/49/37/608294937.db2.gz OFGPJVZDWXEATE-SFHVURJKSA-N -1 3 320.400 2.738 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@](C)(c3ccccc3)C2)n1 ZINC000826274349 608294939 /nfs/dbraw/zinc/29/49/39/608294939.db2.gz OFGPJVZDWXEATE-SFHVURJKSA-N -1 3 320.400 2.738 20 0 DFADHM c1c2c(nc(N3CCC4(CCC4)C3)c1-c1nnn[n-]1)CCCC2 ZINC000826512192 608297529 /nfs/dbraw/zinc/29/75/29/608297529.db2.gz RUUYBKYOMJNQFD-UHFFFAOYSA-N -1 3 310.405 2.521 20 0 DFADHM c1c2c(nc(N3CCC4(CCC4)C3)c1-c1nn[n-]n1)CCCC2 ZINC000826512192 608297531 /nfs/dbraw/zinc/29/75/31/608297531.db2.gz RUUYBKYOMJNQFD-UHFFFAOYSA-N -1 3 310.405 2.521 20 0 DFADHM CCC1(CC)[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1OC ZINC000825171496 608297975 /nfs/dbraw/zinc/29/79/75/608297975.db2.gz QXIYGAPYTFJAGO-OLZOCXBDSA-N -1 3 316.409 2.576 20 0 DFADHM CCC1(CC)[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1OC ZINC000825171496 608297976 /nfs/dbraw/zinc/29/79/76/608297976.db2.gz QXIYGAPYTFJAGO-OLZOCXBDSA-N -1 3 316.409 2.576 20 0 DFADHM CS[C@H](C)CCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826226008 608301480 /nfs/dbraw/zinc/30/14/80/608301480.db2.gz QALHZZHBKIGYDQ-MNOVXSKESA-N -1 3 319.434 2.576 20 0 DFADHM CS[C@H](C)CCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826226008 608301482 /nfs/dbraw/zinc/30/14/82/608301482.db2.gz QALHZZHBKIGYDQ-MNOVXSKESA-N -1 3 319.434 2.576 20 0 DFADHM C[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C[C@H]1C ZINC000824947074 608306268 /nfs/dbraw/zinc/30/62/68/608306268.db2.gz MGTRYBNEJPILPV-VHSXEESVSA-N -1 3 318.356 2.516 20 0 DFADHM C[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C[C@H]1C ZINC000824947074 608306267 /nfs/dbraw/zinc/30/62/67/608306267.db2.gz MGTRYBNEJPILPV-VHSXEESVSA-N -1 3 318.356 2.516 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSCCOC(C)(C)C ZINC000826173759 608323055 /nfs/dbraw/zinc/32/30/55/608323055.db2.gz SXUBSMTUICCHOP-UHFFFAOYSA-N -1 3 322.434 2.924 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSCCOC(C)(C)C ZINC000826173759 608323056 /nfs/dbraw/zinc/32/30/56/608323056.db2.gz SXUBSMTUICCHOP-UHFFFAOYSA-N -1 3 322.434 2.924 20 0 DFADHM Cc1ccc2c(c1)CCN2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826294133 608323672 /nfs/dbraw/zinc/32/36/72/608323672.db2.gz JTGLDAAAUFCLSR-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1ccc2c(c1)CCN2Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826294133 608323674 /nfs/dbraw/zinc/32/36/74/608323674.db2.gz JTGLDAAAUFCLSR-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1cccc2c1CCN2Cc1cccc(-c2nnn[n-]2)c1F ZINC000826305137 608403325 /nfs/dbraw/zinc/40/33/25/608403325.db2.gz LZTNTCNCPZNBBI-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1cccc2c1CCN2Cc1cccc(-c2nn[n-]n2)c1F ZINC000826305137 608403327 /nfs/dbraw/zinc/40/33/27/608403327.db2.gz LZTNTCNCPZNBBI-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM CCSCCSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825674089 608403984 /nfs/dbraw/zinc/40/39/84/608403984.db2.gz HSXXXGFOJOIHIQ-UHFFFAOYSA-N -1 3 310.448 2.732 20 0 DFADHM CCSCCSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825674089 608403986 /nfs/dbraw/zinc/40/39/86/608403986.db2.gz HSXXXGFOJOIHIQ-UHFFFAOYSA-N -1 3 310.448 2.732 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(Cl)o1 ZINC000826466560 608440865 /nfs/dbraw/zinc/44/08/65/608440865.db2.gz IZLOMKLJMSUFLJ-UHFFFAOYSA-N -1 3 322.683 2.609 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(Cl)o1 ZINC000826466560 608440867 /nfs/dbraw/zinc/44/08/67/608440867.db2.gz IZLOMKLJMSUFLJ-UHFFFAOYSA-N -1 3 322.683 2.609 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825232140 608444469 /nfs/dbraw/zinc/44/44/69/608444469.db2.gz CPSXWEPUWLNSSN-CSKARUKUSA-N -1 3 304.325 2.795 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825232140 608444470 /nfs/dbraw/zinc/44/44/70/608444470.db2.gz CPSXWEPUWLNSSN-CSKARUKUSA-N -1 3 304.325 2.795 20 0 DFADHM C[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)C1CCCC1 ZINC000824052118 608450508 /nfs/dbraw/zinc/45/05/08/608450508.db2.gz LFGSQEPKYZBKLS-SNVBAGLBSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)C1CCCC1 ZINC000824052118 608450509 /nfs/dbraw/zinc/45/05/09/608450509.db2.gz LFGSQEPKYZBKLS-SNVBAGLBSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824907577 608450952 /nfs/dbraw/zinc/45/09/52/608450952.db2.gz JDUFJNOKWJPULD-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824907577 608450954 /nfs/dbraw/zinc/45/09/54/608450954.db2.gz JDUFJNOKWJPULD-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824907576 608451464 /nfs/dbraw/zinc/45/14/64/608451464.db2.gz JDUFJNOKWJPULD-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@@H](CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824907576 608451466 /nfs/dbraw/zinc/45/14/66/608451466.db2.gz JDUFJNOKWJPULD-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H](NCc1ncc(C2CC2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000824635209 608482559 /nfs/dbraw/zinc/48/25/59/608482559.db2.gz ZRAPQFULNNMBLN-JTQLQIEISA-N -1 3 310.361 2.583 20 0 DFADHM C[C@H](NCc1ncc(C2CC2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824635209 608482560 /nfs/dbraw/zinc/48/25/60/608482560.db2.gz ZRAPQFULNNMBLN-JTQLQIEISA-N -1 3 310.361 2.583 20 0 DFADHM CC=CC=CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825029212 608486184 /nfs/dbraw/zinc/48/61/84/608486184.db2.gz PBLCAXUFDLEIMJ-IAROGAJJSA-N -1 3 321.384 2.615 20 0 DFADHM CC=CC=CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825029212 608486185 /nfs/dbraw/zinc/48/61/85/608486185.db2.gz PBLCAXUFDLEIMJ-IAROGAJJSA-N -1 3 321.384 2.615 20 0 DFADHM Fc1ccccc1CN(Cc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC000826378660 608505465 /nfs/dbraw/zinc/50/54/65/608505465.db2.gz VAWWKOMJQGMGCX-UHFFFAOYSA-N -1 3 313.336 2.763 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(Cl)nc1 ZINC000825966161 608513098 /nfs/dbraw/zinc/51/30/98/608513098.db2.gz QPVUDXMPJIZNKX-UHFFFAOYSA-N -1 3 320.809 2.609 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccc(Cl)nc1 ZINC000825966161 608513100 /nfs/dbraw/zinc/51/31/00/608513100.db2.gz QPVUDXMPJIZNKX-UHFFFAOYSA-N -1 3 320.809 2.609 20 0 DFADHM CCCOc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825341911 608562794 /nfs/dbraw/zinc/56/27/94/608562794.db2.gz MNMIXZKTUNFJDG-UHFFFAOYSA-N -1 3 323.356 2.908 20 0 DFADHM CCCOc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825341911 608562795 /nfs/dbraw/zinc/56/27/95/608562795.db2.gz MNMIXZKTUNFJDG-UHFFFAOYSA-N -1 3 323.356 2.908 20 0 DFADHM CC(C)N(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CC1 ZINC000824285126 608574767 /nfs/dbraw/zinc/57/47/67/608574767.db2.gz YGVUUFJPOIQHIE-UHFFFAOYSA-N -1 3 305.769 2.533 20 0 DFADHM CC(C)N(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CC1 ZINC000824285126 608574769 /nfs/dbraw/zinc/57/47/69/608574769.db2.gz YGVUUFJPOIQHIE-UHFFFAOYSA-N -1 3 305.769 2.533 20 0 DFADHM CCOc1cccc([C@H]2C[C@H]2Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000825648983 608589219 /nfs/dbraw/zinc/58/92/19/608589219.db2.gz ISDXRCCDNMZMIG-HUUCEWRRSA-N -1 3 322.372 2.628 20 0 DFADHM CCOc1cccc([C@H]2C[C@H]2Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000825648983 608589221 /nfs/dbraw/zinc/58/92/21/608589221.db2.gz ISDXRCCDNMZMIG-HUUCEWRRSA-N -1 3 322.372 2.628 20 0 DFADHM Cn1cccc1[C@@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826363559 608745838 /nfs/dbraw/zinc/74/58/38/608745838.db2.gz SGYMXIVZKBFPDG-AWEZNQCLSA-N -1 3 312.377 2.525 20 0 DFADHM CCc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825712084 608764368 /nfs/dbraw/zinc/76/43/68/608764368.db2.gz JXFCONQTKDGUOZ-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CCc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825712084 608764372 /nfs/dbraw/zinc/76/43/72/608764372.db2.gz JXFCONQTKDGUOZ-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM Cc1ccccc1C1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826307014 608782664 /nfs/dbraw/zinc/78/26/64/608782664.db2.gz SVMRVZOFVVCYNU-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM Cc1ccccc1C1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826307014 608782666 /nfs/dbraw/zinc/78/26/66/608782666.db2.gz SVMRVZOFVVCYNU-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2)CN1c1cnccc1-c1nnn[n-]1 ZINC000824899655 608783421 /nfs/dbraw/zinc/78/34/21/608783421.db2.gz MLUGFIPUYRLVAP-GXTWGEPZSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@H]1C[C@@H](c2ccccc2)CN1c1cnccc1-c1nn[n-]n1 ZINC000824899655 608783422 /nfs/dbraw/zinc/78/34/22/608783422.db2.gz MLUGFIPUYRLVAP-GXTWGEPZSA-N -1 3 306.373 2.644 20 0 DFADHM c1[nH]c2ccccc2c1CCCNc1cnccc1-c1nnn[n-]1 ZINC000826522811 608783468 /nfs/dbraw/zinc/78/34/68/608783468.db2.gz PJEUFXRBHQGLFG-UHFFFAOYSA-N -1 3 319.372 2.788 20 0 DFADHM c1[nH]c2ccccc2c1CCCNc1cnccc1-c1nn[n-]n1 ZINC000826522811 608783470 /nfs/dbraw/zinc/78/34/70/608783470.db2.gz PJEUFXRBHQGLFG-UHFFFAOYSA-N -1 3 319.372 2.788 20 0 DFADHM Fc1ccc(CCNc2cnccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826374272 608785153 /nfs/dbraw/zinc/78/51/53/608785153.db2.gz SMYYIFMDXKUQTE-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM Fc1ccc(CCNc2cnccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826374272 608785156 /nfs/dbraw/zinc/78/51/56/608785156.db2.gz SMYYIFMDXKUQTE-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1cnccc1-c1nnn[n-]1 ZINC000824858178 608789120 /nfs/dbraw/zinc/78/91/20/608789120.db2.gz IGKLPJVRBIWFPP-HIFRSBDPSA-N -1 3 320.400 2.719 20 0 DFADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1cnccc1-c1nn[n-]n1 ZINC000824858178 608789121 /nfs/dbraw/zinc/78/91/21/608789121.db2.gz IGKLPJVRBIWFPP-HIFRSBDPSA-N -1 3 320.400 2.719 20 0 DFADHM CCO[C@H]1C[C@@H](Nc2cnccc2-c2nnn[n-]2)C1(CC)CC ZINC000825583935 608789144 /nfs/dbraw/zinc/78/91/44/608789144.db2.gz YPPZPWXLJHTLQZ-KGLIPLIRSA-N -1 3 316.409 2.657 20 0 DFADHM CCO[C@H]1C[C@@H](Nc2cnccc2-c2nn[n-]n2)C1(CC)CC ZINC000825583935 608789145 /nfs/dbraw/zinc/78/91/45/608789145.db2.gz YPPZPWXLJHTLQZ-KGLIPLIRSA-N -1 3 316.409 2.657 20 0 DFADHM Fc1ccc2c(c1)CCC[C@H]2Nc1cnccc1-c1nnn[n-]1 ZINC000826376355 608796362 /nfs/dbraw/zinc/79/63/62/608796362.db2.gz ZRLQPYWSMCZUHO-CQSZACIVSA-N -1 3 310.336 2.890 20 0 DFADHM Fc1ccc2c(c1)CCC[C@H]2Nc1cnccc1-c1nn[n-]n1 ZINC000826376355 608796364 /nfs/dbraw/zinc/79/63/64/608796364.db2.gz ZRLQPYWSMCZUHO-CQSZACIVSA-N -1 3 310.336 2.890 20 0 DFADHM Cc1ccc(C)c(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000826285236 608861514 /nfs/dbraw/zinc/86/15/14/608861514.db2.gz SXOJQKQNUYCAMS-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1ccc(C)c(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000826285236 608861515 /nfs/dbraw/zinc/86/15/15/608861515.db2.gz SXOJQKQNUYCAMS-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM CON(Cc1ccccc1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826166479 609143173 /nfs/dbraw/zinc/14/31/73/609143173.db2.gz MGDYOIMEPDNZKV-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CON(Cc1ccccc1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826166479 609143174 /nfs/dbraw/zinc/14/31/74/609143174.db2.gz MGDYOIMEPDNZKV-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM Cc1cnc(CN[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000826318624 609147291 /nfs/dbraw/zinc/14/72/91/609147291.db2.gz SFDDHDCSJPAHHY-SECBINFHSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1cnc(CN[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000826318624 609147294 /nfs/dbraw/zinc/14/72/94/609147294.db2.gz SFDDHDCSJPAHHY-SECBINFHSA-N -1 3 318.381 2.622 20 0 DFADHM CC(C)C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824243753 609171106 /nfs/dbraw/zinc/17/11/06/609171106.db2.gz NOGPYXMAAZIMRD-LSDHHAIUSA-N -1 3 301.394 2.872 20 0 DFADHM CC(C)C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824243752 609171182 /nfs/dbraw/zinc/17/11/82/609171182.db2.gz NOGPYXMAAZIMRD-HUUCEWRRSA-N -1 3 301.394 2.872 20 0 DFADHM C[C@H](N[C@@H](C)c1ccccn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529058 609182106 /nfs/dbraw/zinc/18/21/06/609182106.db2.gz DGMBRRMNCNMPFY-QWRGUYRKSA-N -1 3 312.352 2.813 20 0 DFADHM COc1cccc(CSCc2ccccc2-c2nnn[n-]2)n1 ZINC000826217113 609183992 /nfs/dbraw/zinc/18/39/92/609183992.db2.gz ZCGSCLFHXSNSQN-UHFFFAOYSA-N -1 3 313.386 2.704 20 0 DFADHM COc1cccc(CSCc2ccccc2-c2nn[n-]n2)n1 ZINC000826217113 609183993 /nfs/dbraw/zinc/18/39/93/609183993.db2.gz ZCGSCLFHXSNSQN-UHFFFAOYSA-N -1 3 313.386 2.704 20 0 DFADHM COc1ccc(CSCc2ccccn2)cc1-c1nnn[n-]1 ZINC000826208031 609185120 /nfs/dbraw/zinc/18/51/20/609185120.db2.gz PSLGFVBNZDPJTG-UHFFFAOYSA-N -1 3 313.386 2.704 20 0 DFADHM COc1ccc(CSCc2ccccn2)cc1-c1nn[n-]n1 ZINC000826208031 609185121 /nfs/dbraw/zinc/18/51/21/609185121.db2.gz PSLGFVBNZDPJTG-UHFFFAOYSA-N -1 3 313.386 2.704 20 0 DFADHM CC(C)(C)[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824071973 609197384 /nfs/dbraw/zinc/19/73/84/609197384.db2.gz PHVIIIHUQIFODX-AWEZNQCLSA-N -1 3 324.388 2.712 20 0 DFADHM CC(C)(C)[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824071973 609197385 /nfs/dbraw/zinc/19/73/85/609197385.db2.gz PHVIIIHUQIFODX-AWEZNQCLSA-N -1 3 324.388 2.712 20 0 DFADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825159942 609203916 /nfs/dbraw/zinc/20/39/16/609203916.db2.gz VFJWFKYSHLHPSH-HNNXBMFYSA-N -1 3 324.388 2.808 20 0 DFADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825159942 609203918 /nfs/dbraw/zinc/20/39/18/609203918.db2.gz VFJWFKYSHLHPSH-HNNXBMFYSA-N -1 3 324.388 2.808 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)CCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824658375 609236912 /nfs/dbraw/zinc/23/69/12/609236912.db2.gz WRPWMKQHIHREAH-LLVKDONJSA-N -1 3 307.357 2.975 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)CCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824658375 609236913 /nfs/dbraw/zinc/23/69/13/609236913.db2.gz WRPWMKQHIHREAH-LLVKDONJSA-N -1 3 307.357 2.975 20 0 DFADHM O=C(OCc1ccc(CF)cc1)c1sccc1-c1nnn[n-]1 ZINC000826465195 609239903 /nfs/dbraw/zinc/23/99/03/609239903.db2.gz CGYHVEHEJGFAEG-UHFFFAOYSA-N -1 3 318.333 2.755 20 0 DFADHM C[C@@H](Nc1cnn(CC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662273 609246857 /nfs/dbraw/zinc/24/68/57/609246857.db2.gz HHQGILPAUAJLTC-SECBINFHSA-N -1 3 319.319 2.501 20 0 DFADHM C[C@@H](Nc1cnn(CC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662273 609246860 /nfs/dbraw/zinc/24/68/60/609246860.db2.gz HHQGILPAUAJLTC-SECBINFHSA-N -1 3 319.319 2.501 20 0 DFADHM CC1(C)C[C@@H](Nc2ccc(F)cc2-c2nnn[n-]2)C(C)(C)O1 ZINC000824789280 609318519 /nfs/dbraw/zinc/31/85/19/609318519.db2.gz GLGWAVFEVCTJPI-GFCCVEGCSA-N -1 3 305.357 2.764 20 0 DFADHM CC1(C)C[C@@H](Nc2ccc(F)cc2-c2nn[n-]n2)C(C)(C)O1 ZINC000824789280 609318520 /nfs/dbraw/zinc/31/85/20/609318520.db2.gz GLGWAVFEVCTJPI-GFCCVEGCSA-N -1 3 305.357 2.764 20 0 DFADHM CC1(C)C[C@H](Nc2ccc(F)cc2-c2nnn[n-]2)C(C)(C)O1 ZINC000824789282 609318548 /nfs/dbraw/zinc/31/85/48/609318548.db2.gz GLGWAVFEVCTJPI-LBPRGKRZSA-N -1 3 305.357 2.764 20 0 DFADHM CC1(C)C[C@H](Nc2ccc(F)cc2-c2nn[n-]n2)C(C)(C)O1 ZINC000824789282 609318549 /nfs/dbraw/zinc/31/85/49/609318549.db2.gz GLGWAVFEVCTJPI-LBPRGKRZSA-N -1 3 305.357 2.764 20 0 DFADHM C[C@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@@H]1F ZINC000824962119 609319115 /nfs/dbraw/zinc/31/91/15/609319115.db2.gz OMDWYVAUFARLAW-GWCFXTLKSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@@H]1F ZINC000824962119 609319118 /nfs/dbraw/zinc/31/91/18/609319118.db2.gz OMDWYVAUFARLAW-GWCFXTLKSA-N -1 3 312.352 2.599 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000826262184 609319933 /nfs/dbraw/zinc/31/99/33/609319933.db2.gz GYVOQSOZQHVXCH-LLVKDONJSA-N -1 3 316.409 2.637 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000826262184 609319934 /nfs/dbraw/zinc/31/99/34/609319934.db2.gz GYVOQSOZQHVXCH-LLVKDONJSA-N -1 3 316.409 2.637 20 0 DFADHM Cc1cc2c(cc1NCc1cc(-c3nnn[n-]3)cs1)OCO2 ZINC000826273301 609320478 /nfs/dbraw/zinc/32/04/78/609320478.db2.gz XOOGEBYAWPAOLI-UHFFFAOYSA-N -1 3 315.358 2.577 20 0 DFADHM Cc1cc2c(cc1NCc1cc(-c3nn[n-]n3)cs1)OCO2 ZINC000826273301 609320481 /nfs/dbraw/zinc/32/04/81/609320481.db2.gz XOOGEBYAWPAOLI-UHFFFAOYSA-N -1 3 315.358 2.577 20 0 DFADHM CCC(CC)[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)CCO1 ZINC000825108277 609322036 /nfs/dbraw/zinc/32/20/36/609322036.db2.gz VBMHXPNCCRMAOZ-GXTWGEPZSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)CCO1 ZINC000825108277 609322038 /nfs/dbraw/zinc/32/20/38/609322038.db2.gz VBMHXPNCCRMAOZ-GXTWGEPZSA-N -1 3 316.409 2.657 20 0 DFADHM CCSCCOc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000825674521 609325069 /nfs/dbraw/zinc/32/50/69/609325069.db2.gz NLTXMIOPVFISLF-UHFFFAOYSA-N -1 3 314.798 2.661 20 0 DFADHM CCSCCOc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000825674521 609325073 /nfs/dbraw/zinc/32/50/73/609325073.db2.gz NLTXMIOPVFISLF-UHFFFAOYSA-N -1 3 314.798 2.661 20 0 DFADHM Cc1ccsc1COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826252354 609340296 /nfs/dbraw/zinc/34/02/96/609340296.db2.gz ABWDVLABWUOOEW-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM Cc1ccsc1COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826252354 609340298 /nfs/dbraw/zinc/34/02/98/609340298.db2.gz ABWDVLABWUOOEW-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM CCCn1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000825361532 609348030 /nfs/dbraw/zinc/34/80/30/609348030.db2.gz DTDQBTQQBYKRNE-JTQLQIEISA-N -1 3 315.356 2.785 20 0 DFADHM CCCn1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000825361532 609348031 /nfs/dbraw/zinc/34/80/31/609348031.db2.gz DTDQBTQQBYKRNE-JTQLQIEISA-N -1 3 315.356 2.785 20 0 DFADHM COC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000826116802 609376622 /nfs/dbraw/zinc/37/66/22/609376622.db2.gz DRNXXHMIMDCWRH-LLVKDONJSA-N -1 3 324.793 2.564 20 0 DFADHM COC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000826116802 609376625 /nfs/dbraw/zinc/37/66/25/609376625.db2.gz DRNXXHMIMDCWRH-LLVKDONJSA-N -1 3 324.793 2.564 20 0 DFADHM Cn1nc(C2CCCC2)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000826365812 609383292 /nfs/dbraw/zinc/38/32/92/609383292.db2.gz DTKMQEWUEVBLQI-UHFFFAOYSA-N -1 3 323.404 2.870 20 0 DFADHM Cn1nc(C2CCCC2)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000826365812 609383294 /nfs/dbraw/zinc/38/32/94/609383294.db2.gz DTKMQEWUEVBLQI-UHFFFAOYSA-N -1 3 323.404 2.870 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@]3(CC[C@H](C)C3)C2)n1 ZINC000826262661 609391143 /nfs/dbraw/zinc/39/11/43/609391143.db2.gz UVWOMOCCDHRCMI-GTNSWQLSSA-N -1 3 312.421 2.895 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@]3(CC[C@H](C)C3)C2)n1 ZINC000826262661 609391145 /nfs/dbraw/zinc/39/11/45/609391145.db2.gz UVWOMOCCDHRCMI-GTNSWQLSSA-N -1 3 312.421 2.895 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000824795934 609391781 /nfs/dbraw/zinc/39/17/81/609391781.db2.gz JGVLBRUUGNNITL-JTQLQIEISA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC000824795934 609391784 /nfs/dbraw/zinc/39/17/84/609391784.db2.gz JGVLBRUUGNNITL-JTQLQIEISA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000824915329 609395994 /nfs/dbraw/zinc/39/59/94/609395994.db2.gz CTQBYPCYLWWJEN-SJKOYZFVSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000824915329 609395997 /nfs/dbraw/zinc/39/59/97/609395997.db2.gz CTQBYPCYLWWJEN-SJKOYZFVSA-N -1 3 311.389 2.519 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCCc1ccccc1 ZINC000824020006 609417856 /nfs/dbraw/zinc/41/78/56/609417856.db2.gz YMPFFDQBVDJKPO-UHFFFAOYSA-N -1 3 307.357 2.724 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCCc1ccccc1 ZINC000824020006 609417857 /nfs/dbraw/zinc/41/78/57/609417857.db2.gz YMPFFDQBVDJKPO-UHFFFAOYSA-N -1 3 307.357 2.724 20 0 DFADHM O=C(Nc1csc2ccccc12)c1ccc(-c2nnn[n-]2)cn1 ZINC000826459763 609460574 /nfs/dbraw/zinc/46/05/74/609460574.db2.gz YOZOCUIXENRILN-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1csc2ccccc12)c1ccc(-c2nn[n-]n2)cn1 ZINC000826459763 609460576 /nfs/dbraw/zinc/46/05/76/609460576.db2.gz YOZOCUIXENRILN-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM Cc1c(NCc2nc3ccccc3n2C)cccc1-c1nnn[n-]1 ZINC000826242776 609486544 /nfs/dbraw/zinc/48/65/44/609486544.db2.gz FVTULOQBHTXOAW-UHFFFAOYSA-N -1 3 319.372 2.674 20 0 DFADHM Cc1c(NCc2nc3ccccc3n2C)cccc1-c1nn[n-]n1 ZINC000826242776 609486546 /nfs/dbraw/zinc/48/65/46/609486546.db2.gz FVTULOQBHTXOAW-UHFFFAOYSA-N -1 3 319.372 2.674 20 0 DFADHM C[C@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccccc1 ZINC000826232161 609510654 /nfs/dbraw/zinc/51/06/54/609510654.db2.gz VCWXOXHZTNCNFO-LBPRGKRZSA-N -1 3 319.368 2.560 20 0 DFADHM C[C@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccccc1 ZINC000826232161 609510657 /nfs/dbraw/zinc/51/06/57/609510657.db2.gz VCWXOXHZTNCNFO-LBPRGKRZSA-N -1 3 319.368 2.560 20 0 DFADHM Cc1c(Cl)cnc(NCc2ccccc2)c1-c1nnn[n-]1 ZINC000826240347 609518361 /nfs/dbraw/zinc/51/83/61/609518361.db2.gz OFYGFDOCEBNVCR-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1c(Cl)cnc(NCc2ccccc2)c1-c1nn[n-]n1 ZINC000826240347 609518363 /nfs/dbraw/zinc/51/83/63/609518363.db2.gz OFYGFDOCEBNVCR-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM C[C@@H]1CC(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000824877137 609518962 /nfs/dbraw/zinc/51/89/62/609518962.db2.gz VODSZXXKYBYCMI-RYUDHWBXSA-N -1 3 313.405 2.555 20 0 DFADHM C[C@@H]1CC(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000824877137 609518964 /nfs/dbraw/zinc/51/89/64/609518964.db2.gz VODSZXXKYBYCMI-RYUDHWBXSA-N -1 3 313.405 2.555 20 0 DFADHM Cc1c(Cl)cnc(NCCc2cccs2)c1-c1nnn[n-]1 ZINC000826240433 609522697 /nfs/dbraw/zinc/52/26/97/609522697.db2.gz SJDYRZHMTJAQMD-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1c(Cl)cnc(NCCc2cccs2)c1-c1nn[n-]n1 ZINC000826240433 609522699 /nfs/dbraw/zinc/52/26/99/609522699.db2.gz SJDYRZHMTJAQMD-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1ccc(OCCNc2nccc(C)c2-c2nnn[n-]2)c(C)c1 ZINC000826292402 609522777 /nfs/dbraw/zinc/52/27/77/609522777.db2.gz TXKWBNCMCYVPCT-UHFFFAOYSA-N -1 3 324.388 2.678 20 0 DFADHM Cc1ccc(OCCNc2nccc(C)c2-c2nn[n-]n2)c(C)c1 ZINC000826292402 609522779 /nfs/dbraw/zinc/52/27/79/609522779.db2.gz TXKWBNCMCYVPCT-UHFFFAOYSA-N -1 3 324.388 2.678 20 0 DFADHM Cc1ccnc(N2CCC[C@H]2c2cccs2)c1-c1nnn[n-]1 ZINC000826311218 609523291 /nfs/dbraw/zinc/52/32/91/609523291.db2.gz XGODAOLDKYJCDO-NSHDSACASA-N -1 3 312.402 2.973 20 0 DFADHM Cc1ccnc(N2CCC[C@H]2c2cccs2)c1-c1nn[n-]n1 ZINC000826311218 609523292 /nfs/dbraw/zinc/52/32/92/609523292.db2.gz XGODAOLDKYJCDO-NSHDSACASA-N -1 3 312.402 2.973 20 0 DFADHM COc1ccc([C@H](C)N(C)c2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826188372 609527861 /nfs/dbraw/zinc/52/78/61/609527861.db2.gz VGCDQWVAUPUBRY-LBPRGKRZSA-N -1 3 324.388 2.776 20 0 DFADHM COc1ccc([C@H](C)N(C)c2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826188372 609527863 /nfs/dbraw/zinc/52/78/63/609527863.db2.gz VGCDQWVAUPUBRY-LBPRGKRZSA-N -1 3 324.388 2.776 20 0 DFADHM Cc1ccnc(N2CCC[C@H]2c2ccsc2)c1-c1nnn[n-]1 ZINC000826311112 609535146 /nfs/dbraw/zinc/53/51/46/609535146.db2.gz UBWRZKPWXRLFCK-LBPRGKRZSA-N -1 3 312.402 2.973 20 0 DFADHM Cc1ccnc(N2CCC[C@H]2c2ccsc2)c1-c1nn[n-]n1 ZINC000826311112 609535148 /nfs/dbraw/zinc/53/51/48/609535148.db2.gz UBWRZKPWXRLFCK-LBPRGKRZSA-N -1 3 312.402 2.973 20 0 DFADHM CCOc1ccccc1CNc1nccc(C)c1-c1nnn[n-]1 ZINC000825653308 609539155 /nfs/dbraw/zinc/53/91/55/609539155.db2.gz ACUWHIBYSDFVHW-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1ccccc1CNc1nccc(C)c1-c1nn[n-]n1 ZINC000825653308 609539158 /nfs/dbraw/zinc/53/91/58/609539158.db2.gz ACUWHIBYSDFVHW-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCC[C@@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccccn1 ZINC000825241897 609548696 /nfs/dbraw/zinc/54/86/96/609548696.db2.gz CRBWTGUDKZKZNL-CYBMUJFWSA-N -1 3 309.377 2.918 20 0 DFADHM CCC[C@@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccccn1 ZINC000825241897 609548698 /nfs/dbraw/zinc/54/86/98/609548698.db2.gz CRBWTGUDKZKZNL-CYBMUJFWSA-N -1 3 309.377 2.918 20 0 DFADHM CCN(C)c1ccccc1CNc1nccc(C)c1-c1nnn[n-]1 ZINC000825394455 609549839 /nfs/dbraw/zinc/54/98/39/609549839.db2.gz DKPFDKASVKOIFK-UHFFFAOYSA-N -1 3 323.404 2.638 20 0 DFADHM CCN(C)c1ccccc1CNc1nccc(C)c1-c1nn[n-]n1 ZINC000825394455 609549841 /nfs/dbraw/zinc/54/98/41/609549841.db2.gz DKPFDKASVKOIFK-UHFFFAOYSA-N -1 3 323.404 2.638 20 0 DFADHM CC/C(C)=C(\C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825051570 609551784 /nfs/dbraw/zinc/55/17/84/609551784.db2.gz RQOHRIMJUJLKQA-MDZDMXLPSA-N -1 3 303.341 2.715 20 0 DFADHM CC/C(C)=C(\C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825051570 609551785 /nfs/dbraw/zinc/55/17/85/609551785.db2.gz RQOHRIMJUJLKQA-MDZDMXLPSA-N -1 3 303.341 2.715 20 0 DFADHM Cc1c(Cl)cnc(N2CCCCC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826237931 609553318 /nfs/dbraw/zinc/55/33/18/609553318.db2.gz QSGIIEBKNHNTFC-VIFPVBQESA-N -1 3 306.801 2.992 20 0 DFADHM Cc1c(Cl)cnc(N2CCCCC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826237931 609553320 /nfs/dbraw/zinc/55/33/20/609553320.db2.gz QSGIIEBKNHNTFC-VIFPVBQESA-N -1 3 306.801 2.992 20 0 DFADHM CC[C@H](c1ccncc1)N(C)c1nccc(C)c1-c1nnn[n-]1 ZINC000825158896 609556517 /nfs/dbraw/zinc/55/65/17/609556517.db2.gz DMABOXVRULTVHK-CYBMUJFWSA-N -1 3 309.377 2.553 20 0 DFADHM CC[C@H](c1ccncc1)N(C)c1nccc(C)c1-c1nn[n-]n1 ZINC000825158896 609556520 /nfs/dbraw/zinc/55/65/20/609556520.db2.gz DMABOXVRULTVHK-CYBMUJFWSA-N -1 3 309.377 2.553 20 0 DFADHM Cc1cccc(CC2CN(c3nccc(C)c3-c3nnn[n-]3)C2)c1 ZINC000826297623 609575738 /nfs/dbraw/zinc/57/57/38/609575738.db2.gz NAEFHORTPJRQSX-UHFFFAOYSA-N -1 3 320.400 2.557 20 0 DFADHM Cc1cccc(CC2CN(c3nccc(C)c3-c3nn[n-]n3)C2)c1 ZINC000826297623 609575740 /nfs/dbraw/zinc/57/57/40/609575740.db2.gz NAEFHORTPJRQSX-UHFFFAOYSA-N -1 3 320.400 2.557 20 0 DFADHM Cc1ccnc(N2CCC[C@@H]2CCC(C)C)c1-c1nnn[n-]1 ZINC000826310288 609578972 /nfs/dbraw/zinc/57/89/72/609578972.db2.gz QZMHCTKUXCODPH-CYBMUJFWSA-N -1 3 300.410 2.975 20 0 DFADHM Cc1ccnc(N2CCC[C@@H]2CCC(C)C)c1-c1nn[n-]n1 ZINC000826310288 609578974 /nfs/dbraw/zinc/57/89/74/609578974.db2.gz QZMHCTKUXCODPH-CYBMUJFWSA-N -1 3 300.410 2.975 20 0 DFADHM c1cc2nc(NCC[C@@H]3CCCCO3)ccc2cc1-c1nnn[n-]1 ZINC000826518493 609582477 /nfs/dbraw/zinc/58/24/77/609582477.db2.gz PLOMMNKZBLEUPU-AWEZNQCLSA-N -1 3 324.388 2.786 20 0 DFADHM c1cc2nc(NCC[C@@H]3CCCCO3)ccc2cc1-c1nn[n-]n1 ZINC000826518493 609582478 /nfs/dbraw/zinc/58/24/78/609582478.db2.gz PLOMMNKZBLEUPU-AWEZNQCLSA-N -1 3 324.388 2.786 20 0 DFADHM Cc1ccnc(NCC2(C)Cc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826313348 609585078 /nfs/dbraw/zinc/58/50/78/609585078.db2.gz CMLSABSAWLDZPG-UHFFFAOYSA-N -1 3 320.400 2.787 20 0 DFADHM Cc1ccnc(NCC2(C)Cc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826313348 609585080 /nfs/dbraw/zinc/58/50/80/609585080.db2.gz CMLSABSAWLDZPG-UHFFFAOYSA-N -1 3 320.400 2.787 20 0 DFADHM C[C@@H]1CC(C(=O)N(C)c2ccccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824875279 609595150 /nfs/dbraw/zinc/59/51/50/609595150.db2.gz KNWMSKFPGOQZPQ-RYUDHWBXSA-N -1 3 313.405 2.902 20 0 DFADHM C[C@@H]1CC(C(=O)N(C)c2ccccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824875279 609595152 /nfs/dbraw/zinc/59/51/52/609595152.db2.gz KNWMSKFPGOQZPQ-RYUDHWBXSA-N -1 3 313.405 2.902 20 0 DFADHM C[C@H]1C[C@H](CCNc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000824885077 609596073 /nfs/dbraw/zinc/59/60/73/609596073.db2.gz RCFFQMOMJMLBFS-WDEREUQCSA-N -1 3 305.357 2.623 20 0 DFADHM C[C@H]1C[C@H](CCNc2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824885077 609596074 /nfs/dbraw/zinc/59/60/74/609596074.db2.gz RCFFQMOMJMLBFS-WDEREUQCSA-N -1 3 305.357 2.623 20 0 DFADHM C[C@H]1C[C@@H](CCNc2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000824885370 609596327 /nfs/dbraw/zinc/59/63/27/609596327.db2.gz SISZSJGTWFJGNM-UWVGGRQHSA-N -1 3 323.347 2.762 20 0 DFADHM C[C@H]1C[C@@H](CCNc2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824885370 609596330 /nfs/dbraw/zinc/59/63/30/609596330.db2.gz SISZSJGTWFJGNM-UWVGGRQHSA-N -1 3 323.347 2.762 20 0 DFADHM C[C@@H]1C[C@@H](CCNc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000824885073 609596544 /nfs/dbraw/zinc/59/65/44/609596544.db2.gz RCFFQMOMJMLBFS-MNOVXSKESA-N -1 3 305.357 2.623 20 0 DFADHM C[C@@H]1C[C@@H](CCNc2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824885073 609596546 /nfs/dbraw/zinc/59/65/46/609596546.db2.gz RCFFQMOMJMLBFS-MNOVXSKESA-N -1 3 305.357 2.623 20 0 DFADHM Cc1cc(C)cc([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC000826264142 609602823 /nfs/dbraw/zinc/60/28/23/609602823.db2.gz 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O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1)c1cc(F)cc(F)c1 ZINC000067877403 398463371 /nfs/dbraw/zinc/46/33/71/398463371.db2.gz QSAUZVDYJKPOEQ-HUUCEWRRSA-N -1 3 309.337 2.799 20 0 DFADHM CCOC(=O)[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280313141 398460050 /nfs/dbraw/zinc/46/00/50/398460050.db2.gz NRSADVLNVHSUDS-OAHLLOKOSA-N -1 3 313.353 2.713 20 0 DFADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(-n2ccnn2)cc1 ZINC000089867833 398467984 /nfs/dbraw/zinc/46/79/84/398467984.db2.gz BNNNKTMFXXDTLA-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM CCOC(=O)c1cc(-c2ccc([C@@H](C)C(=O)OC)s2)[n-]n1 ZINC000596646125 398470623 /nfs/dbraw/zinc/47/06/23/398470623.db2.gz NRNOWDXDYKKHOB-MRVPVSSYSA-N -1 3 308.359 2.591 20 0 DFADHM CCOC(=O)c1cc(-c2ccc([C@@H](C)C(=O)OC)s2)n[n-]1 ZINC000596646125 398470628 /nfs/dbraw/zinc/47/06/28/398470628.db2.gz NRNOWDXDYKKHOB-MRVPVSSYSA-N -1 3 308.359 2.591 20 0 DFADHM Cc1noc([N-]C(=O)c2cc3c(C(F)F)nn(C)c3s2)n1 ZINC000279482324 214915649 /nfs/dbraw/zinc/91/56/49/214915649.db2.gz 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/nfs/dbraw/zinc/39/43/46/282394346.db2.gz PWGJCJOUUYGNCS-UHFFFAOYSA-N -1 3 313.188 2.819 20 0 DFADHM CC(C)(CNC(=O)c1cnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000050809386 282394348 /nfs/dbraw/zinc/39/43/48/282394348.db2.gz PWGJCJOUUYGNCS-UHFFFAOYSA-N -1 3 313.188 2.819 20 0 DFADHM CC(C)(CNC(=O)c1cn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000050809386 282394350 /nfs/dbraw/zinc/39/43/50/282394350.db2.gz PWGJCJOUUYGNCS-UHFFFAOYSA-N -1 3 313.188 2.819 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC000588099897 398482174 /nfs/dbraw/zinc/48/21/74/398482174.db2.gz FQWVRZKJULFWPN-VHSXEESVSA-N -1 3 309.749 2.817 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cncc(C)c2)c1[O-] ZINC000588096408 398482293 /nfs/dbraw/zinc/48/22/93/398482293.db2.gz BWOMEPYIGLVXJF-UHFFFAOYSA-N -1 3 320.732 2.788 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)c2coc(C)c2)c1[O-] ZINC000588101005 398483145 /nfs/dbraw/zinc/48/31/45/398483145.db2.gz SZZNANPOXIUHQA-UHFFFAOYSA-N -1 3 309.705 2.986 20 0 DFADHM C[C@@H](CN(C)C(=O)NCc1ccc([O-])c(F)c1)c1nccs1 ZINC000181811049 199355590 /nfs/dbraw/zinc/35/55/90/199355590.db2.gz JUGMJKXMSCHVAD-JTQLQIEISA-N -1 3 323.393 2.933 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@H](CC)c2ccc(OC)cc2)n1 ZINC000181812503 199355766 /nfs/dbraw/zinc/35/57/66/199355766.db2.gz FECSZOWCYBLUJZ-OAHLLOKOSA-N -1 3 301.390 2.994 20 0 DFADHM CCc1cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)OC)ccc1[O-] ZINC000592833153 398492975 /nfs/dbraw/zinc/49/29/75/398492975.db2.gz ZDMCJONIJAWDES-ZDUSSCGKSA-N -1 3 307.390 2.662 20 0 DFADHM O=C(Nc1ccc(-n2cccn2)nc1)c1cc(-c2ccco2)[n-]n1 ZINC000029806852 398492322 /nfs/dbraw/zinc/49/23/22/398492322.db2.gz CXLLXHZUCVCKLT-UHFFFAOYSA-N -1 3 320.312 2.503 20 0 DFADHM O=C(Nc1ccc(-n2cccn2)nc1)c1cc(-c2ccco2)n[n-]1 ZINC000029806852 398492324 /nfs/dbraw/zinc/49/23/24/398492324.db2.gz CXLLXHZUCVCKLT-UHFFFAOYSA-N -1 3 320.312 2.503 20 0 DFADHM COc1ccc([O-])c(C(=O)NCCOc2ccc(Cl)cc2)c1 ZINC000302057224 398495235 /nfs/dbraw/zinc/49/52/35/398495235.db2.gz 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/nfs/dbraw/zinc/36/17/42/199361742.db2.gz GXCAZLSUFDQSDF-UHFFFAOYSA-N -1 3 307.741 2.519 20 0 DFADHM COCCN(CCO)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000181851462 199361810 /nfs/dbraw/zinc/36/18/10/199361810.db2.gz ICBBQGHGVXREFT-UHFFFAOYSA-N -1 3 323.433 2.720 20 0 DFADHM CC(C)OCCCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000181848195 199362035 /nfs/dbraw/zinc/36/20/35/199362035.db2.gz ALDABKBFILOQNA-UHFFFAOYSA-N -1 3 323.817 2.963 20 0 DFADHM Cc1nnc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)n1C1CC1 ZINC000286813990 219179112 /nfs/dbraw/zinc/17/91/12/219179112.db2.gz WHMUBQVAVSNTOS-UHFFFAOYSA-N -1 3 323.356 2.736 20 0 DFADHM CC[C@H](NCc1cccc([O-])c1Br)[C@H](O)C(F)F ZINC000459563073 299134996 /nfs/dbraw/zinc/13/49/96/299134996.db2.gz GSBDWTOKGHCIET-KWQFWETISA-N -1 3 324.165 2.649 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)n1 ZINC000459561911 299135078 /nfs/dbraw/zinc/13/50/78/299135078.db2.gz NXWZYYQPFIVMIU-YVEFUNNKSA-N -1 3 321.421 2.605 20 0 DFADHM COCCOc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000031932094 398524461 /nfs/dbraw/zinc/52/44/61/398524461.db2.gz DMOZOLHILPYPIO-UHFFFAOYSA-N -1 3 301.342 2.978 20 0 DFADHM CC[C@@H]1[C@@H](CO)CCN1Cc1cccc([O-])c1Br ZINC000459571170 299136739 /nfs/dbraw/zinc/13/67/39/299136739.db2.gz OHNJOECEQCNJIU-VXGBXAGGSA-N -1 3 314.223 2.748 20 0 DFADHM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)CCC1CC1 ZINC000272645922 210050185 /nfs/dbraw/zinc/05/01/85/210050185.db2.gz OQLLHHRNBOBDCA-UHFFFAOYSA-N -1 3 305.403 2.723 20 0 DFADHM COCCCn1nccc1C=Cc1cc(=O)[n-]c(C(C)(C)C)n1 ZINC000414063727 295762690 /nfs/dbraw/zinc/76/26/90/295762690.db2.gz DGNSSLHZDNZTRY-VOTSOKGWSA-N -1 3 316.405 2.883 20 0 DFADHM CCc1nnc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc(C)cc2)[nH]1 ZINC000272630582 210031992 /nfs/dbraw/zinc/03/19/92/210031992.db2.gz BBFCRGHCRDFJJU-SNVBAGLBSA-N -1 3 308.332 2.645 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2sccc2C1 ZINC000032922848 398538447 /nfs/dbraw/zinc/53/84/47/398538447.db2.gz BCZSIQBTOOZXMB-UHFFFAOYSA-N -1 3 310.378 2.788 20 0 DFADHM COCc1ccccc1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000033047206 398540770 /nfs/dbraw/zinc/54/07/70/398540770.db2.gz AQAVUETUIJVUQC-UHFFFAOYSA-N -1 3 322.364 2.605 20 0 DFADHM CCSc1nnc([N-]C(=O)c2cnn(C)c2C(F)F)s1 ZINC000589283279 398542853 /nfs/dbraw/zinc/54/28/53/398542853.db2.gz GDCBCNVPRPJYSY-UHFFFAOYSA-N -1 3 319.362 2.574 20 0 DFADHM Cc1ccnn1-c1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000068988429 398541820 /nfs/dbraw/zinc/54/18/20/398541820.db2.gz GNEPMDLDJCIVMQ-UHFFFAOYSA-N -1 3 318.340 2.704 20 0 DFADHM CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000077509388 282579602 /nfs/dbraw/zinc/57/96/02/282579602.db2.gz QSKFYMCHIXBQDK-WDEREUQCSA-N -1 3 315.373 2.661 20 0 DFADHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)ccc1F)c1ccccc1 ZINC000078279427 282590367 /nfs/dbraw/zinc/59/03/67/282590367.db2.gz XEIDSVJRNUIHKI-OAHLLOKOSA-N -1 3 323.389 2.800 20 0 DFADHM Cc1cccc(C(=O)N2CCN(Cc3cccs3)CC2)c1[O-] ZINC000078353142 282592755 /nfs/dbraw/zinc/59/27/55/282592755.db2.gz IHMXMRHKOSBEGG-UHFFFAOYSA-N -1 3 316.426 2.720 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](c2nccs2)C1 ZINC000092120996 398559484 /nfs/dbraw/zinc/55/94/84/398559484.db2.gz QEAKNWVYHHHEJD-JTQLQIEISA-N -1 3 304.371 2.574 20 0 DFADHM Cc1ccc2c(c1)CC[C@H](C(=O)NCc1ccc([O-])c(F)c1)O2 ZINC000279803744 215160451 /nfs/dbraw/zinc/16/04/51/215160451.db2.gz HEWPXJCIIDIEFQ-QGZVFWFLSA-N -1 3 315.344 2.850 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000092124499 398559638 /nfs/dbraw/zinc/55/96/38/398559638.db2.gz ATBSCKXMCIQAJK-GFCCVEGCSA-N -1 3 301.317 2.867 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](c2nccs2)C1 ZINC000092121002 398560205 /nfs/dbraw/zinc/56/02/05/398560205.db2.gz QEAKNWVYHHHEJD-SNVBAGLBSA-N -1 3 304.371 2.574 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2)c(F)c1 ZINC000078706289 282597987 /nfs/dbraw/zinc/59/79/87/282597987.db2.gz WDSAPDHBYJTDIB-CYBMUJFWSA-N -1 3 323.389 2.880 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]CC[C@H](C)c1ccccc1 ZINC000041341989 398565865 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COc1nnc(NC(=O)c2cc(C3CC3)nc3ccc(C)cc32)[n-]1 ZINC000179368774 199023669 /nfs/dbraw/zinc/02/36/69/199023669.db2.gz DVWMFRRPJLYBML-UHFFFAOYSA-N -1 3 323.356 2.800 20 0 DFADHM COc1nc(NC(=O)c2cc(C3CC3)nc3ccc(C)cc32)n[n-]1 ZINC000179368774 199023671 /nfs/dbraw/zinc/02/36/71/199023671.db2.gz DVWMFRRPJLYBML-UHFFFAOYSA-N -1 3 323.356 2.800 20 0 DFADHM COc1n[n-]c(NC(=O)c2cc(C3CC3)nc3ccc(C)cc32)n1 ZINC000179368774 199023673 /nfs/dbraw/zinc/02/36/73/199023673.db2.gz DVWMFRRPJLYBML-UHFFFAOYSA-N -1 3 323.356 2.800 20 0 DFADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)cc1F ZINC000416558855 295954790 /nfs/dbraw/zinc/95/47/90/295954790.db2.gz KATPJARXQOTKGY-NRUUGDAUSA-N -1 3 301.358 2.740 20 0 DFADHM C[C@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@@H](c2ccccc2)O1 ZINC000179454366 199038651 /nfs/dbraw/zinc/03/86/51/199038651.db2.gz BCTLUKGUVPJGNL-SJCJKPOMSA-N -1 3 313.353 2.700 20 0 DFADHM CCN(CC)[C@@H](CNC(=O)c1ccc(O)cc1[O-])c1ccco1 ZINC000179458315 199038861 /nfs/dbraw/zinc/03/88/61/199038861.db2.gz 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O=C([N-]c1nc2c(s1)CCCCCC2)c1cccc[n+]1[O-] ZINC000055375626 398928178 /nfs/dbraw/zinc/92/81/78/398928178.db2.gz KABLGDIHFXYHQP-UHFFFAOYSA-N -1 3 303.387 2.688 20 0 DFADHM CCOCCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000188915067 200322211 /nfs/dbraw/zinc/32/22/11/200322211.db2.gz JQZAKQTXCCCNEE-UHFFFAOYSA-N -1 3 320.158 2.563 20 0 DFADHM CCn1cc(C(=O)Nc2nc(C)ccc2[O-])c(C(F)(F)F)n1 ZINC000281158335 216118627 /nfs/dbraw/zinc/11/86/27/216118627.db2.gz VMQTUDMUBIDRAC-UHFFFAOYSA-N -1 3 314.267 2.583 20 0 DFADHM O=C(NC[C@H]1CCCC[C@@H]1O)c1cc([O-])ccc1C(F)(F)F ZINC000189474077 200407795 /nfs/dbraw/zinc/40/77/95/200407795.db2.gz FGNOYIHOJLOHFL-RNCFNFMXSA-N -1 3 317.307 2.692 20 0 DFADHM CC[C@@H](NC(=O)NCc1ncccc1[O-])c1nc(C)cs1 ZINC000471841692 299310173 /nfs/dbraw/zinc/31/01/73/299310173.db2.gz ZHTHDPVCOULYQU-SNVBAGLBSA-N -1 3 306.391 2.503 20 0 DFADHM CC(C)CC(=O)N[C@H](C(=O)[N-]c1cc(C(C)C)no1)C(C)C ZINC000599240579 398941960 /nfs/dbraw/zinc/94/19/60/398941960.db2.gz DKXGXKJLHBFBBM-HNNXBMFYSA-N -1 3 309.410 2.923 20 0 DFADHM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1csc(=O)[n-]1 ZINC000471879847 299311794 /nfs/dbraw/zinc/31/17/94/299311794.db2.gz HVZHDAPQXHEMRG-OCCSQVGLSA-N -1 3 318.398 2.746 20 0 DFADHM O=C(NCCc1ccccc1F)NCc1ccc([O-])c(F)c1 ZINC000155408727 398946133 /nfs/dbraw/zinc/94/61/33/398946133.db2.gz BCVYRQFUJCTEHH-UHFFFAOYSA-N -1 3 306.312 2.712 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000246221558 283586778 /nfs/dbraw/zinc/58/67/78/283586778.db2.gz VVRRYWBNUMOGFV-DAXOMENPSA-N -1 3 301.386 2.642 20 0 DFADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C=C1CCCCC1 ZINC000055982978 398951463 /nfs/dbraw/zinc/95/14/63/398951463.db2.gz FONJHYGXKSFRIP-UHFFFAOYSA-N -1 3 308.403 2.887 20 0 DFADHM O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]12)N1CCc2nc[n-]c(=O)c2C1 ZINC000329210488 296026594 /nfs/dbraw/zinc/02/65/94/296026594.db2.gz ZPBWZLGMZHHIGN-BFHYXJOUSA-N -1 3 315.417 2.673 20 0 DFADHM C[C@@H]1CN(c2ccccc2NC(=O)[N-]OCC2CC2)C[C@H](C)O1 ZINC000292775824 223240501 /nfs/dbraw/zinc/24/05/01/223240501.db2.gz WRRBHUBUKITVRD-BETUJISGSA-N -1 3 319.405 2.763 20 0 DFADHM C=Cn1cc(CN[C@@H](CCC(=O)[O-])c2ccc(OC)cc2)cn1 ZINC000417571486 296031818 /nfs/dbraw/zinc/03/18/18/296031818.db2.gz FGTALJPMAJXDCZ-INIZCTEOSA-N -1 3 315.373 2.688 20 0 DFADHM C[C@@H](C(=O)[O-])[C@H](NCc1cccc2c1OCO2)c1ccccc1 ZINC000417569505 296031951 /nfs/dbraw/zinc/03/19/51/296031951.db2.gz VGFLJSVVPGEKLY-WBMJQRKESA-N -1 3 313.353 2.967 20 0 DFADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2C)n(C)n1 ZINC000417574863 296032130 /nfs/dbraw/zinc/03/21/30/296032130.db2.gz SBTQECTWDYQWNZ-INIZCTEOSA-N -1 3 301.390 2.651 20 0 DFADHM CCc1ccc([C@H](NCc2cnn(CC(F)F)c2)C(=O)[O-])cc1 ZINC000417579397 296032812 /nfs/dbraw/zinc/03/28/12/296032812.db2.gz CHFXPYGZCJSXLC-HNNXBMFYSA-N -1 3 323.343 2.626 20 0 DFADHM COCC[C@@H](NCc1cc(Cl)c(OC)cc1Cl)C(=O)[O-] ZINC000417584158 296033103 /nfs/dbraw/zinc/03/31/03/296033103.db2.gz BAECSRUUEFHKSV-LLVKDONJSA-N -1 3 322.188 2.581 20 0 DFADHM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1(C)C ZINC000271882850 209293999 /nfs/dbraw/zinc/29/39/99/209293999.db2.gz CHWYFGPNCXBNNB-HPEXNQPKSA-N -1 3 314.385 2.730 20 0 DFADHM CCOc1ccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])cc1F ZINC000417586162 296033306 /nfs/dbraw/zinc/03/33/06/296033306.db2.gz APLBLQONLLIQSI-ZDUSSCGKSA-N -1 3 313.369 2.582 20 0 DFADHM CC(C)(C)OC[C@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000417589837 296033541 /nfs/dbraw/zinc/03/35/41/296033541.db2.gz FIDJUMIIIYZWLV-LBPRGKRZSA-N -1 3 303.761 2.837 20 0 DFADHM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1Cl)[C@H]1CCOC1 ZINC000417598488 296033947 /nfs/dbraw/zinc/03/39/47/296033947.db2.gz ZXTGMUZPTSPGHQ-UFBFGSQYSA-N -1 3 322.163 2.712 20 0 DFADHM Cn1cc([C@H](NCc2ccc(C(C)(C)C)cc2)C(=O)[O-])cn1 ZINC000417600690 296034521 /nfs/dbraw/zinc/03/45/21/296034521.db2.gz RFRPWGVVOJFYDN-HNNXBMFYSA-N -1 3 301.390 2.633 20 0 DFADHM COc1ccc(Br)cc1CN[C@H](C)[C@@H](C)C(=O)[O-] ZINC000417610666 296035518 /nfs/dbraw/zinc/03/55/18/296035518.db2.gz MRGQWNFEPXUDSD-RKDXNWHRSA-N -1 3 316.195 2.657 20 0 DFADHM CO[C@@H]1CCC[C@H](CC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)C1 ZINC000281448047 216306883 /nfs/dbraw/zinc/30/68/83/216306883.db2.gz KRLNYKSFZIHSBC-NWDGAFQWSA-N -1 3 318.377 2.907 20 0 DFADHM CO[C@@H]1CCC[C@H](CC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)C1 ZINC000281448047 216306885 /nfs/dbraw/zinc/30/68/85/216306885.db2.gz KRLNYKSFZIHSBC-NWDGAFQWSA-N -1 3 318.377 2.907 20 0 DFADHM CO[C@@H]1CCC[C@H](CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)C1 ZINC000281448047 216306890 /nfs/dbraw/zinc/30/68/90/216306890.db2.gz KRLNYKSFZIHSBC-NWDGAFQWSA-N -1 3 318.377 2.907 20 0 DFADHM O=C(NCCCCCO)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000193288218 201019707 /nfs/dbraw/zinc/01/97/07/201019707.db2.gz GXUGOVGYZQOFIS-UHFFFAOYSA-N -1 3 313.810 2.684 20 0 DFADHM CCCn1ccc2cc([N-]S(=O)(=O)C[C@@H](C)OC)ccc21 ZINC000193320222 201029695 /nfs/dbraw/zinc/02/96/95/201029695.db2.gz DUFGGDIDXKKBFQ-GFCCVEGCSA-N -1 3 310.419 2.828 20 0 DFADHM Cc1cc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)ccc1Br ZINC000417618500 296036052 /nfs/dbraw/zinc/03/60/52/296036052.db2.gz JSJPMUKRSYXSIJ-NEPJUHHUSA-N -1 3 310.191 2.876 20 0 DFADHM O=C([O-])COCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000417620691 296036156 /nfs/dbraw/zinc/03/61/56/296036156.db2.gz JJGGUDYXDJWRKD-UHFFFAOYSA-N -1 3 309.749 2.791 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1 ZINC000193327352 201031183 /nfs/dbraw/zinc/03/11/83/201031183.db2.gz GEZCXDSDKGDMNZ-GFCCVEGCSA-N -1 3 322.386 2.651 20 0 DFADHM C[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)[C@H]1CCO ZINC000618015074 398972174 /nfs/dbraw/zinc/97/21/74/398972174.db2.gz RDUKASINWMNNMN-DYVFJYSZSA-N -1 3 317.429 2.894 20 0 DFADHM C[C@@]1(CNC(=O)c2cc([O-])ccc2C(F)(F)F)CCCO1 ZINC000193491912 201062770 /nfs/dbraw/zinc/06/27/70/201062770.db2.gz FMRZLCSJCBWATM-ZDUSSCGKSA-N -1 3 303.280 2.710 20 0 DFADHM COc1cc(Cl)c(CNCCSCC(=O)[O-])cc1Cl ZINC000417632337 296037147 /nfs/dbraw/zinc/03/71/47/296037147.db2.gz ZWEBQBFFSIAJCW-UHFFFAOYSA-N -1 3 324.229 2.909 20 0 DFADHM 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COC(=O)c1ccc(C(=O)Nc2ccc(C)cc2[O-])c(F)c1 ZINC000355240882 147236319 /nfs/dbraw/zinc/23/63/19/147236319.db2.gz OBQVEXFNMMSHNE-UHFFFAOYSA-N -1 3 303.289 2.879 20 0 DFADHM CC1(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCCCC1 ZINC000355294556 147254736 /nfs/dbraw/zinc/25/47/36/147254736.db2.gz HTRAGSSPGQMSMX-UHFFFAOYSA-N -1 3 324.446 2.758 20 0 DFADHM Cn1c(CNCc2ncccc2[O-])nc2ccc(Cl)cc21 ZINC000355337718 147270428 /nfs/dbraw/zinc/27/04/28/147270428.db2.gz ROGIDPDUVTZGOR-UHFFFAOYSA-N -1 3 302.765 2.617 20 0 DFADHM Cc1cccnc1C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000355390463 147295860 /nfs/dbraw/zinc/29/58/60/147295860.db2.gz LTSVPVPJJPNEHR-UHFFFAOYSA-N -1 3 314.769 2.661 20 0 DFADHM CCNC(=O)N(C)c1cccc(NCc2nc(C)ccc2[O-])c1 ZINC000355486982 147334357 /nfs/dbraw/zinc/33/43/57/147334357.db2.gz PWABYVKXKNPFCR-UHFFFAOYSA-N -1 3 314.389 2.873 20 0 DFADHM C[C@@H](NC(=O)c1cnc2c(cnn2C)c1[O-])[C@@H](C)c1ccccc1 ZINC000355604009 147380630 /nfs/dbraw/zinc/38/06/30/147380630.db2.gz ZYSJDQCQEARPSS-VXGBXAGGSA-N -1 3 324.384 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CC(C)c1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)nc1 ZINC000355091864 158272212 /nfs/dbraw/zinc/27/22/12/158272212.db2.gz ACEUYZGCXXPLKN-UHFFFAOYSA-N -1 3 322.372 2.561 20 0 DFADHM Cc1cccc(C)c1[C@@H](C)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000355139462 158282914 /nfs/dbraw/zinc/28/29/14/158282914.db2.gz YQXHVVPBKFYTLY-GFCCVEGCSA-N -1 3 314.389 2.668 20 0 DFADHM CN(CCC1CC1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000355145168 158284177 /nfs/dbraw/zinc/28/41/77/158284177.db2.gz DFEBZXJMABEQPN-UHFFFAOYSA-N -1 3 306.312 2.678 20 0 DFADHM CCc1cccc(Oc2ccc(NC(=O)c3nc[n-]n3)cn2)c1 ZINC000358440210 158380266 /nfs/dbraw/zinc/38/02/66/158380266.db2.gz IQOPYCNNSPZMCF-UHFFFAOYSA-N -1 3 309.329 2.807 20 0 DFADHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358463175 158380859 /nfs/dbraw/zinc/38/08/59/158380859.db2.gz LMKMLXTYAHSVGL-JTQLQIEISA-N -1 3 313.350 2.775 20 0 DFADHM O=C(Nc1ccc(OCc2ccccc2F)cc1)c1nc[n-]n1 ZINC000358461260 158381457 /nfs/dbraw/zinc/38/14/57/158381457.db2.gz XCZJUXIXIWMURK-UHFFFAOYSA-N -1 3 312.304 2.775 20 0 DFADHM Cc1cc(C(=O)NCCc2nn(C)c3ccccc23)ccc1[O-] ZINC000358589328 158391614 /nfs/dbraw/zinc/39/16/14/158391614.db2.gz ZKLCRNYLCDMANT-UHFFFAOYSA-N -1 3 309.369 2.560 20 0 DFADHM COc1ccc([O-])cc1C(=O)Nc1ccc2[nH]c(C)cc(=O)c2c1 ZINC000430178604 296775673 /nfs/dbraw/zinc/77/56/73/296775673.db2.gz MCSDZZXSIBHCCE-UHFFFAOYSA-N -1 3 324.336 2.803 20 0 DFADHM Cc1nnc([C@H]2CC23CCN(Cc2cc([O-])cc(F)c2)CC3)o1 ZINC000375223501 158835012 /nfs/dbraw/zinc/83/50/12/158835012.db2.gz CWAUPQTUZNDTHM-OAHLLOKOSA-N -1 3 317.364 2.992 20 0 DFADHM Cc1cccc(C(=O)N2CCC3(C2)Oc2ccccc2O3)c1[O-] ZINC000288920573 292413959 /nfs/dbraw/zinc/41/39/59/292413959.db2.gz LRNMEGCBGSJLGN-UHFFFAOYSA-N -1 3 311.337 2.714 20 0 DFADHM CC[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000455626655 298391636 /nfs/dbraw/zinc/39/16/36/298391636.db2.gz OONQXONEQZCOPQ-DLBZAZTESA-N -1 3 318.417 2.606 20 0 DFADHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000455626656 298391674 /nfs/dbraw/zinc/39/16/74/298391674.db2.gz OONQXONEQZCOPQ-IAGOWNOFSA-N -1 3 318.417 2.606 20 0 DFADHM CCc1nc2cc(NC(=O)c3c[n-]c(C(=O)OC)c3)ccc2o1 ZINC000431326230 296828816 /nfs/dbraw/zinc/82/88/16/296828816.db2.gz MHZUAMJGFUNMFJ-UHFFFAOYSA-N -1 3 313.313 2.757 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccc(C)c(OC)c2C)c[n-]1 ZINC000431966564 296857935 /nfs/dbraw/zinc/85/79/35/296857935.db2.gz OVYQUEDEKASIGZ-UHFFFAOYSA-N -1 3 302.330 2.679 20 0 DFADHM CCOc1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 ZINC000432766379 296886183 /nfs/dbraw/zinc/88/61/83/296886183.db2.gz CCYGPXMEXPAAFA-UHFFFAOYSA-N -1 3 320.414 2.952 20 0 DFADHM Cc1ccc(C[C@H](C)NC(=O)c2ccc3n[n-]nc3c2)s1 ZINC000129299281 196037248 /nfs/dbraw/zinc/03/72/48/196037248.db2.gz NZBVAGMAXQJRJF-VIFPVBQESA-N -1 3 300.387 2.689 20 0 DFADHM Cc1ccc([O-])c(CNC(C)(C)C(=O)NCC2CCCCC2)n1 ZINC000129509491 196054149 /nfs/dbraw/zinc/05/41/49/196054149.db2.gz CNCKTKBYCMHSMR-UHFFFAOYSA-N -1 3 319.449 2.660 20 0 DFADHM Cn1cc([N-]C(=O)c2c(F)ccc(F)c2F)cc(Cl)c1=O ZINC000129755243 196072539 /nfs/dbraw/zinc/07/25/39/196072539.db2.gz XJWNGHHSHDLZEE-UHFFFAOYSA-N -1 3 316.666 2.708 20 0 DFADHM Cc1cccc(CCC(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000053525655 425888055 /nfs/dbraw/zinc/88/80/55/425888055.db2.gz GIFVSGCTUFCXKF-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM Cc1cccc(CCC(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000053525655 425888056 /nfs/dbraw/zinc/88/80/56/425888056.db2.gz GIFVSGCTUFCXKF-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM Cc1cccc(CCC(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000053525655 425888057 /nfs/dbraw/zinc/88/80/57/425888057.db2.gz GIFVSGCTUFCXKF-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc2n[n-]nc2c1 ZINC000130523711 196087137 /nfs/dbraw/zinc/08/71/37/196087137.db2.gz AXIODMHXYBXXPI-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000130836407 196114632 /nfs/dbraw/zinc/11/46/32/196114632.db2.gz SXMHGSCDDXVHID-GFCCVEGCSA-N -1 3 317.393 2.647 20 0 DFADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000130836407 196114634 /nfs/dbraw/zinc/11/46/34/196114634.db2.gz SXMHGSCDDXVHID-GFCCVEGCSA-N -1 3 317.393 2.647 20 0 DFADHM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc2n[n-]nc2c1 ZINC000130840600 196115565 /nfs/dbraw/zinc/11/55/65/196115565.db2.gz AELGSVJAPIYRPG-MRXNPFEDSA-N -1 3 309.373 2.966 20 0 DFADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000132089861 196225862 /nfs/dbraw/zinc/22/58/62/196225862.db2.gz OSMAUBMNLDMCBA-YUMQZZPRSA-N -1 3 324.265 2.978 20 0 DFADHM Cc1cc(C(=O)Nc2ncccc2[O-])c(C)n1Cc1ccccn1 ZINC000132114703 196227693 /nfs/dbraw/zinc/22/76/93/196227693.db2.gz HKLQNSAJHYQBNW-UHFFFAOYSA-N -1 3 322.368 2.901 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCOCC1 ZINC000132913847 196296330 /nfs/dbraw/zinc/29/63/30/196296330.db2.gz LLACBPWSZWVIGS-SECBINFHSA-N -1 3 321.801 2.573 20 0 DFADHM CN(Cc1cc([O-])ccc1Br)C[C@@H]1CCCO1 ZINC000132965504 196300547 /nfs/dbraw/zinc/30/05/47/196300547.db2.gz DCRYBRNVQXIAMK-LBPRGKRZSA-N -1 3 300.196 2.766 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000133849682 196339788 /nfs/dbraw/zinc/33/97/88/196339788.db2.gz OSTJQTFIWRATSD-ZDUSSCGKSA-N -1 3 315.373 2.718 20 0 DFADHM COc1cccc(C(=O)N2CCO[C@@H](c3cccs3)C2)c1[O-] ZINC000134350362 196381000 /nfs/dbraw/zinc/38/10/00/196381000.db2.gz DDFNYOHMFMTLGA-CYBMUJFWSA-N -1 3 319.382 2.676 20 0 DFADHM Cc1ccc(C(N)=O)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000433308140 296905965 /nfs/dbraw/zinc/90/59/65/296905965.db2.gz XAZJPEGAZFZVRD-UHFFFAOYSA-N -1 3 304.733 2.705 20 0 DFADHM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2nnc(SC)[n-]2)cc1 ZINC000667618987 543642771 /nfs/dbraw/zinc/64/27/71/543642771.db2.gz PGWWKHGREYTKEF-JQWIXIFHSA-N -1 3 318.402 2.668 20 0 DFADHM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2nc(SC)n[n-]2)cc1 ZINC000667618987 543642772 /nfs/dbraw/zinc/64/27/72/543642772.db2.gz PGWWKHGREYTKEF-JQWIXIFHSA-N -1 3 318.402 2.668 20 0 DFADHM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2n[n-]c(SC)n2)cc1 ZINC000667618987 543642773 /nfs/dbraw/zinc/64/27/73/543642773.db2.gz PGWWKHGREYTKEF-JQWIXIFHSA-N -1 3 318.402 2.668 20 0 DFADHM Cc1noc([C@H]2CCCCN2C(=O)c2cc([O-])ccc2F)n1 ZINC000295706042 225146260 /nfs/dbraw/zinc/14/62/60/225146260.db2.gz KKWGQWJZANJXFT-CYBMUJFWSA-N -1 3 305.309 2.590 20 0 DFADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@H](O)CC3)c(=O)c2c1 ZINC000295677831 225114126 /nfs/dbraw/zinc/11/41/26/225114126.db2.gz VCQHEIHWYICOOO-ZDUSSCGKSA-N -1 3 314.385 2.544 20 0 DFADHM CSCC1CCC([N-]S(=O)(=O)c2cnc(C)s2)CC1 ZINC000295783873 225231004 /nfs/dbraw/zinc/23/10/04/225231004.db2.gz QYBSYPOOSITRSP-UHFFFAOYSA-N -1 3 320.505 2.652 20 0 DFADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000668394997 543801070 /nfs/dbraw/zinc/80/10/70/543801070.db2.gz ZCDSDDFDUUGJPR-ZDUSSCGKSA-N -1 3 317.389 2.690 20 0 DFADHM [O-]c1cccc(CN2CC[C@H]3COC[C@H]3C2)c1Br ZINC000668704416 543849087 /nfs/dbraw/zinc/84/90/87/543849087.db2.gz AMZDXQRDDNMLBP-NWDGAFQWSA-N -1 3 312.207 2.623 20 0 DFADHM CCCN(C(=O)Cc1cncc([O-])c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000669087309 543905805 /nfs/dbraw/zinc/90/58/05/543905805.db2.gz GHEMGOUZLWNTBB-HOTGVXAUSA-N -1 3 320.433 2.772 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000669204394 543919223 /nfs/dbraw/zinc/91/92/23/543919223.db2.gz IIMRVBXYPAFSER-YNEHKIRRSA-N -1 3 322.430 2.741 20 0 DFADHM Cc1cccnc1CCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000296646721 226084654 /nfs/dbraw/zinc/08/46/54/226084654.db2.gz DXERROYIVTZHGR-UHFFFAOYSA-N -1 3 317.364 2.667 20 0 DFADHM CSc1ccc([O-])c(C(=O)NCc2ccn(C(C)C)n2)c1 ZINC000668989891 543894854 /nfs/dbraw/zinc/89/48/54/543894854.db2.gz VPJZPRNFRPWXMD-UHFFFAOYSA-N -1 3 305.403 2.822 20 0 DFADHM CC[C@@](C)(NC(=O)c1ccc2[nH][n-]c(=O)c2c1)c1nccs1 ZINC000669033317 543899697 /nfs/dbraw/zinc/89/96/97/543899697.db2.gz LZQHWVUKBNBPMC-OAHLLOKOSA-N -1 3 316.386 2.780 20 0 DFADHM CCn1ncc2cc(C(=O)Nc3cccc([O-])c3F)c(C)nc21 ZINC000669612974 543974979 /nfs/dbraw/zinc/97/49/79/543974979.db2.gz FIYSTOCCARBIPL-UHFFFAOYSA-N -1 3 314.320 2.857 20 0 DFADHM Cn1c(=O)ccc2ccc(NCc3cc(=O)[n-]c(C4CC4)n3)cc21 ZINC000669365716 543938152 /nfs/dbraw/zinc/93/81/52/543938152.db2.gz JIFYCAXIANDWQC-UHFFFAOYSA-N -1 3 322.368 2.524 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1ccsc1 ZINC000669843770 543999866 /nfs/dbraw/zinc/99/98/66/543999866.db2.gz HBYUXHHGKGCIHG-QMMMGPOBSA-N -1 3 303.430 2.858 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccsc2)s1 ZINC000669843624 543999977 /nfs/dbraw/zinc/99/99/77/543999977.db2.gz BMVMEXITPOAFML-QMMMGPOBSA-N -1 3 302.446 2.807 20 0 DFADHM COc1cc(C(=O)N[C@H](C)c2ccsc2)cc(OC)c1[O-] ZINC000669919513 544007981 /nfs/dbraw/zinc/00/79/81/544007981.db2.gz PFHXJCKFMUTMQH-SECBINFHSA-N -1 3 307.371 2.962 20 0 DFADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000671188190 544059298 /nfs/dbraw/zinc/05/92/98/544059298.db2.gz PCPHQPUOFWEHOQ-HZGVNTEJSA-N -1 3 324.627 2.789 20 0 DFADHM CC(C)(C)n1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1ccoc1 ZINC000671673309 544096239 /nfs/dbraw/zinc/09/62/39/544096239.db2.gz ABMCJTBBFUTBMY-ZDUSSCGKSA-N -1 3 323.418 2.587 20 0 DFADHM CCc1cccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)c1[O-] ZINC000672178119 544126284 /nfs/dbraw/zinc/12/62/84/544126284.db2.gz FEFBBYXVOLWLLX-JOYOIKCWSA-N -1 3 317.307 2.746 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)NC[C@@H](C)c3ccncc3)c(=O)c2c1 ZINC000672208370 544129065 /nfs/dbraw/zinc/12/90/65/544129065.db2.gz QRXOAGGSJAJVLL-CYBMUJFWSA-N -1 3 321.380 2.765 20 0 DFADHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000672889466 544158910 /nfs/dbraw/zinc/15/89/10/544158910.db2.gz GTWUZVRSRFPFNQ-UHFFFAOYSA-N -1 3 317.279 2.974 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)s1 ZINC000672889068 544159108 /nfs/dbraw/zinc/15/91/08/544159108.db2.gz SGXIYLOHYJKRRF-UHFFFAOYSA-N -1 3 316.370 2.769 20 0 DFADHM CCCc1sc(C(=O)NCCCc2cc(=O)[nH][n-]2)cc1CC ZINC000673545255 544183862 /nfs/dbraw/zinc/18/38/62/544183862.db2.gz RQJZSVKYLGHSSV-UHFFFAOYSA-N -1 3 321.446 2.649 20 0 DFADHM CC(C)Sc1ccccc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673545626 544184093 /nfs/dbraw/zinc/18/40/93/544184093.db2.gz DKGUHMOLPKIMGU-UHFFFAOYSA-N -1 3 319.430 2.573 20 0 DFADHM Cc1ccc(CS(=O)(=O)[N-]Cc2cc(C(C)C)no2)cc1 ZINC000673562850 544184806 /nfs/dbraw/zinc/18/48/06/544184806.db2.gz ABOKTNNCVVOHNN-UHFFFAOYSA-N -1 3 308.403 2.726 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cc1F ZINC000673586347 544185349 /nfs/dbraw/zinc/18/53/49/544185349.db2.gz URVIZSOZEXUGSY-UHFFFAOYSA-N -1 3 307.337 2.990 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(F)c2)c[nH]1 ZINC000673820747 544200681 /nfs/dbraw/zinc/20/06/81/544200681.db2.gz SLJICQLVWCJNPM-QWHCGFSZSA-N -1 3 323.393 2.507 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3F)c[nH]1 ZINC000673820302 544200687 /nfs/dbraw/zinc/20/06/87/544200687.db2.gz LRIQJCIBEIQBKB-CYBMUJFWSA-N -1 3 323.393 2.638 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-]C(C)(C)c2cccs2)c[nH]1 ZINC000673822495 544200793 /nfs/dbraw/zinc/20/07/93/544200793.db2.gz NEJIDLZWQCOFNT-UHFFFAOYSA-N -1 3 313.448 2.808 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)c[nH]1 ZINC000673822700 544200805 /nfs/dbraw/zinc/20/08/05/544200805.db2.gz OFXGNGFKLZXWCA-OLZOCXBDSA-N -1 3 311.451 2.780 20 0 DFADHM O=C([N-]OCCC(F)(F)F)[C@@H]1CCN(c2ccccc2F)C1 ZINC000291404563 222370050 /nfs/dbraw/zinc/37/00/50/222370050.db2.gz XKQOTWDQYAFNPK-SNVBAGLBSA-N -1 3 320.286 2.652 20 0 DFADHM Cc1ccc(-c2csc([N-]C(=O)c3cc(CO)on3)n2)cc1 ZINC000673921869 544208311 /nfs/dbraw/zinc/20/83/11/544208311.db2.gz LMBJGMBNPNUTEL-UHFFFAOYSA-N -1 3 315.354 2.851 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@H]1CCC[C@H](O)C1 ZINC000442795252 297206514 /nfs/dbraw/zinc/20/65/14/297206514.db2.gz DUWCZUIXQDBNSL-IUCAKERBSA-N -1 3 319.279 2.780 20 0 DFADHM Cc1nccn1[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000674324994 544231514 /nfs/dbraw/zinc/23/15/14/544231514.db2.gz SYJPVBCOSVCRQA-ZDUSSCGKSA-N -1 3 303.337 2.514 20 0 DFADHM O=C(CCn1cccc1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000674326072 544231619 /nfs/dbraw/zinc/23/16/19/544231619.db2.gz BVEVUVMUUAKYDH-UHFFFAOYSA-N -1 3 317.299 2.580 20 0 DFADHM O=C(CCn1cccc1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000674326072 544231620 /nfs/dbraw/zinc/23/16/20/544231620.db2.gz BVEVUVMUUAKYDH-UHFFFAOYSA-N -1 3 317.299 2.580 20 0 DFADHM O=C(CCn1cccc1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000674326072 544231622 /nfs/dbraw/zinc/23/16/22/544231622.db2.gz BVEVUVMUUAKYDH-UHFFFAOYSA-N -1 3 317.299 2.580 20 0 DFADHM COc1cccc(S(=O)(=O)[N-]c2cc(OC)ccc2F)c1 ZINC000674870237 544271801 /nfs/dbraw/zinc/27/18/01/544271801.db2.gz WXQKUGJAWHFMAH-UHFFFAOYSA-N -1 3 311.334 2.644 20 0 DFADHM COc1cccc(C(=O)N[C@H]2COc3c2cccc3Cl)c1[O-] ZINC000675119153 544285733 /nfs/dbraw/zinc/28/57/33/544285733.db2.gz HJYXKUUBGRKQRX-LBPRGKRZSA-N -1 3 319.744 2.918 20 0 DFADHM CC(C)(C[N-]S(=O)(=O)c1cccs1)[C@@H]1CCCCO1 ZINC000675151804 544287812 /nfs/dbraw/zinc/28/78/12/544287812.db2.gz HJGDVCDPWQKDIA-NSHDSACASA-N -1 3 303.449 2.622 20 0 DFADHM CC(C)(CNC(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCCCO1 ZINC000675191468 544292433 /nfs/dbraw/zinc/29/24/33/544292433.db2.gz NMPBQCDBDYFXJH-OAHLLOKOSA-N -1 3 324.396 2.926 20 0 DFADHM O=C(CCn1cccc1)Nc1cc(Br)ccc1[O-] ZINC000674744270 544253864 /nfs/dbraw/zinc/25/38/64/544253864.db2.gz BLLZPIMPWZJJMN-UHFFFAOYSA-N -1 3 309.163 2.985 20 0 DFADHM CC1(C(=O)Nc2cc(Br)ccc2[O-])CCOCC1 ZINC000674744511 544253934 /nfs/dbraw/zinc/25/39/34/544253934.db2.gz HFGDSOQOHSXYMG-UHFFFAOYSA-N -1 3 314.179 2.910 20 0 DFADHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000675330736 544303365 /nfs/dbraw/zinc/30/33/65/544303365.db2.gz YIXHUWIISVLXMX-VHSXEESVSA-N -1 3 321.801 2.573 20 0 DFADHM COc1cccc(C(=O)NCC(C)(C)[C@H]2CCCCO2)c1[O-] ZINC000675220330 544294589 /nfs/dbraw/zinc/29/45/89/544294589.db2.gz KLZFOTDONHNAKE-CQSZACIVSA-N -1 3 307.390 2.726 20 0 DFADHM O=S(=O)([N-][C@H]1CCC(F)(F)C1)c1ccc(F)cc1Cl ZINC000675636203 544324181 /nfs/dbraw/zinc/32/41/81/544324181.db2.gz CPCOPYJVJWFEJW-QMMMGPOBSA-N -1 3 313.728 2.945 20 0 DFADHM CC(C)(CO)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000676398596 544374749 /nfs/dbraw/zinc/37/47/49/544374749.db2.gz DXRAHSKTWKCLHM-UHFFFAOYSA-N -1 3 313.397 2.731 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cc3occc3s2)n[n-]1 ZINC000676454998 544377445 /nfs/dbraw/zinc/37/74/45/544377445.db2.gz DAMLMPPZQQSQIB-UHFFFAOYSA-N -1 3 313.342 2.870 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cc3occc3s2)[n-]n1 ZINC000676454998 544377447 /nfs/dbraw/zinc/37/74/47/544377447.db2.gz DAMLMPPZQQSQIB-UHFFFAOYSA-N -1 3 313.342 2.870 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)s1 ZINC000677238708 544456603 /nfs/dbraw/zinc/45/66/03/544456603.db2.gz HNOKPHHARPLZOY-UHFFFAOYSA-N -1 3 308.428 2.809 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)c1 ZINC000677142315 544441076 /nfs/dbraw/zinc/44/10/76/544441076.db2.gz QDBTWTRDRQGOHT-GFCCVEGCSA-N -1 3 323.443 2.589 20 0 DFADHM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000677241235 544457246 /nfs/dbraw/zinc/45/72/46/544457246.db2.gz UQICPESSVPUOQX-HUUCEWRRSA-N -1 3 322.817 2.744 20 0 DFADHM CN(CC(=O)Nc1cccc([O-])c1F)c1ccc(Cl)cn1 ZINC000677801107 544542513 /nfs/dbraw/zinc/54/25/13/544542513.db2.gz AHXGEENWYFOFPU-UHFFFAOYSA-N -1 3 309.728 2.655 20 0 DFADHM Cn1cc(C(=O)Nc2cccc([O-])c2F)c(-c2ccncc2)n1 ZINC000677801553 544542826 /nfs/dbraw/zinc/54/28/26/544542826.db2.gz SSIYTXKICLBKRO-UHFFFAOYSA-N -1 3 312.304 2.579 20 0 DFADHM CCc1n[nH]cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000677591428 544509339 /nfs/dbraw/zinc/50/93/39/544509339.db2.gz RXUUOVOGJOTWJG-UHFFFAOYSA-N -1 3 310.151 2.693 20 0 DFADHM C[C@H](CN1CCCCC1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299255162 229009407 /nfs/dbraw/zinc/00/94/07/229009407.db2.gz FKAUKKNOUGKQNZ-CYBMUJFWSA-N -1 3 313.401 2.545 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000678315302 544649841 /nfs/dbraw/zinc/64/98/41/544649841.db2.gz PRYLFVFLXHAVPI-TVQRCGJNSA-N -1 3 317.307 2.746 20 0 DFADHM O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1c([O-])cccc1O ZINC000678344247 544655555 /nfs/dbraw/zinc/65/55/55/544655555.db2.gz JQKSWONQNKRQAC-UHFFFAOYSA-N -1 3 323.352 2.858 20 0 DFADHM CCc1cccc(C(=O)N2CCN3CCOc4cccc2c43)c1[O-] ZINC000678430270 544672557 /nfs/dbraw/zinc/67/25/57/544672557.db2.gz GQNZZZKREYPICT-UHFFFAOYSA-N -1 3 324.380 2.814 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000679320887 544831362 /nfs/dbraw/zinc/83/13/62/544831362.db2.gz VBMDUOIMPVEYLR-UHFFFAOYSA-N -1 3 324.336 2.606 20 0 DFADHM COc1ccccc1OCCCNC(=O)c1ccc([O-])c(C)c1 ZINC000679409816 544851151 /nfs/dbraw/zinc/85/11/51/544851151.db2.gz RXRPZOPFMOANLW-UHFFFAOYSA-N -1 3 315.369 2.908 20 0 DFADHM COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([O-])c(C)c1 ZINC000679407169 544851529 /nfs/dbraw/zinc/85/15/29/544851529.db2.gz HALGKVZCSFLBJP-AWEZNQCLSA-N -1 3 313.353 2.963 20 0 DFADHM CCc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)cc1 ZINC000679648413 544889892 /nfs/dbraw/zinc/88/98/92/544889892.db2.gz UUDOXSILAGPDDQ-UHFFFAOYSA-N -1 3 310.806 2.829 20 0 DFADHM Cc1nccc(NC(=O)c2c[n-]nc2-c2ccncc2)c1Cl ZINC000679920953 544925982 /nfs/dbraw/zinc/92/59/82/544925982.db2.gz KNONIMQSWQMUEC-UHFFFAOYSA-N -1 3 313.748 2.503 20 0 DFADHM Cc1nccc(NC(=O)c2cn[n-]c2-c2ccncc2)c1Cl ZINC000679920953 544925989 /nfs/dbraw/zinc/92/59/89/544925989.db2.gz KNONIMQSWQMUEC-UHFFFAOYSA-N -1 3 313.748 2.503 20 0 DFADHM CO[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000680005409 544941480 /nfs/dbraw/zinc/94/14/80/544941480.db2.gz HOWNZZFPLBGOAR-OAHLLOKOSA-N -1 3 303.402 2.912 20 0 DFADHM C[C@@H]1C[C@H]([N-]c2noc(C(C)(C)C)n2)C(=O)N1c1ccccc1 ZINC000302140019 230117466 /nfs/dbraw/zinc/11/74/66/230117466.db2.gz OLRJMGMRUAYBIB-YPMHNXCESA-N -1 3 314.389 2.973 20 0 DFADHM Cc1ccc(N2CC[C@@H]([N-]c3noc(C(C)(C)C)n3)C2=O)cc1 ZINC000302165106 230137502 /nfs/dbraw/zinc/13/75/02/230137502.db2.gz ZSTDZDBTDLTCGZ-CYBMUJFWSA-N -1 3 314.389 2.893 20 0 DFADHM CCC[C@H](C)CS(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000680107777 544959980 /nfs/dbraw/zinc/95/99/80/544959980.db2.gz MKKYXDCWGJKIGR-JOYOIKCWSA-N -1 3 319.373 2.754 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2COc3cc(F)cc(F)c32)c([O-])c1 ZINC000680157246 544965405 /nfs/dbraw/zinc/96/54/05/544965405.db2.gz MPQAXPWTIVXURP-LBPRGKRZSA-N -1 3 305.280 2.842 20 0 DFADHM CC(C)Cc1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1 ZINC000680224915 544971360 /nfs/dbraw/zinc/97/13/60/544971360.db2.gz OCQXFYGFEBABBX-UHFFFAOYSA-N -1 3 311.385 2.579 20 0 DFADHM C[C@@H](NCc1nc2c(cnn2C)c(=O)[n-]1)c1cc2ccccc2o1 ZINC000680405705 545005642 /nfs/dbraw/zinc/00/56/42/545005642.db2.gz CLFCIDUGOPVBJN-SNVBAGLBSA-N -1 3 323.356 2.666 20 0 DFADHM Oc1[n-]c(NC[C@@H](c2ccccc2)C(F)(F)F)nc2nncc1-2 ZINC000302487847 230267216 /nfs/dbraw/zinc/26/72/16/230267216.db2.gz SGXOMBIORORASD-JTQLQIEISA-N -1 3 323.278 2.817 20 0 DFADHM C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000055401969 425893476 /nfs/dbraw/zinc/89/34/76/425893476.db2.gz JXZIZWYQCSQOIZ-VXGBXAGGSA-N -1 3 310.825 2.896 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@H](C)C2)c1 ZINC000055488367 425893723 /nfs/dbraw/zinc/89/37/23/425893723.db2.gz VBGPIHHYILTOEU-AAEUAGOBSA-N -1 3 304.390 2.907 20 0 DFADHM O=c1nc(COCC(F)(F)F)[n-]c2sc3c(c21)CCCC3 ZINC000055491457 425894059 /nfs/dbraw/zinc/89/40/59/425894059.db2.gz BKGNHYVSNHYJRH-UHFFFAOYSA-N -1 3 318.320 2.942 20 0 DFADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)CCO2 ZINC000062571762 425900092 /nfs/dbraw/zinc/90/00/92/425900092.db2.gz UJBWZFDZOBDXSO-UHFFFAOYSA-N -1 3 318.398 2.624 20 0 DFADHM C[C@@]1(C(=O)[O-])CCCN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000062876365 425900253 /nfs/dbraw/zinc/90/02/53/425900253.db2.gz BOQCLKUTSOGXES-OAHLLOKOSA-N -1 3 311.765 2.755 20 0 DFADHM CCCN1Cc2cccc(NC(=O)c3ccc4n[n-]nc4c3)c2C1 ZINC000066761199 425906446 /nfs/dbraw/zinc/90/64/46/425906446.db2.gz OMGXYLLJMOHTJX-UHFFFAOYSA-N -1 3 321.384 2.936 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2CCOc3ccc(F)cc32)c([O-])c1 ZINC000068166177 425916541 /nfs/dbraw/zinc/91/65/41/425916541.db2.gz IUTZJMMFLQJCHT-CQSZACIVSA-N -1 3 317.316 2.794 20 0 DFADHM COCc1c2ccccc2oc1C(=O)[N-]c1nnc(C)s1 ZINC000068708934 425919280 /nfs/dbraw/zinc/91/92/80/425919280.db2.gz ATYDXZZSCNBDAZ-UHFFFAOYSA-N -1 3 303.343 2.991 20 0 DFADHM CCCn1c(=O)[n-]nc1SCc1nc(C2CCCC2)no1 ZINC000155795958 425927686 /nfs/dbraw/zinc/92/76/86/425927686.db2.gz AQSPVEFHQNBMES-UHFFFAOYSA-N -1 3 309.395 2.727 20 0 DFADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000007053462 267375437 /nfs/dbraw/zinc/37/54/37/267375437.db2.gz GTVBUPKCBZYEEF-UHFFFAOYSA-N -1 3 303.383 2.985 20 0 DFADHM C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000022024289 267381650 /nfs/dbraw/zinc/38/16/50/267381650.db2.gz LRCKWNNGXIHJMW-LBPRGKRZSA-N -1 3 314.341 2.646 20 0 DFADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccccc1Cl ZINC000031618529 267395925 /nfs/dbraw/zinc/39/59/25/267395925.db2.gz NRQGEDTUZLMZMC-UHFFFAOYSA-N -1 3 324.789 2.811 20 0 DFADHM CSc1ccc(CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000075003614 267429836 /nfs/dbraw/zinc/42/98/36/267429836.db2.gz XPCYNONKUMABKF-UHFFFAOYSA-N -1 3 313.469 2.991 20 0 DFADHM Cc1ccc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC000181256930 267724755 /nfs/dbraw/zinc/72/47/55/267724755.db2.gz MQCXUIUUJQQGHR-INIZCTEOSA-N -1 3 311.381 2.784 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCOCC2)c(Cl)cc1F ZINC000183386323 267752109 /nfs/dbraw/zinc/75/21/09/267752109.db2.gz GBZCSEPYIOJRHK-SNVBAGLBSA-N -1 3 321.801 2.635 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCN(c3ccccc3C)CC2)c1 ZINC000007185420 425637551 /nfs/dbraw/zinc/63/75/51/425637551.db2.gz MHGUYLWFFOLDCV-UHFFFAOYSA-N -1 3 310.397 2.971 20 0 DFADHM Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(C)cc3[O-])c12 ZINC000014899863 425776524 /nfs/dbraw/zinc/77/65/24/425776524.db2.gz RHCIXPAPGCXSRC-UHFFFAOYSA-N -1 3 310.357 2.851 20 0 DFADHM CC(C)OC(=O)Cc1nc(=O)c2c3c(sc2[n-]1)CCCCC3 ZINC000046703460 425866219 /nfs/dbraw/zinc/86/62/19/425866219.db2.gz QZGGHCYRYKJRRS-UHFFFAOYSA-N -1 3 320.414 2.748 20 0 DFADHM O=S(=O)([N-]Cc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000030518461 425831554 /nfs/dbraw/zinc/83/15/54/425831554.db2.gz CGWRACZFDYFWQR-UHFFFAOYSA-N -1 3 319.279 2.722 20 0 DFADHM CC(C)[C@@H](NCc1cc(F)ccc1Br)C(=O)[O-] ZINC000035391102 425844368 /nfs/dbraw/zinc/84/43/68/425844368.db2.gz PDDUWILAPQQSDX-LLVKDONJSA-N -1 3 304.159 2.787 20 0 DFADHM COc1ccccc1OCCNC(=O)c1cc(C)ccc1[O-] ZINC000036147453 425845493 /nfs/dbraw/zinc/84/54/93/425845493.db2.gz RMSOUDPHUWRIMA-UHFFFAOYSA-N -1 3 301.342 2.518 20 0 DFADHM O=C([O-])C1CCC(NCc2ccc(Br)o2)CC1 ZINC000037562159 425848540 /nfs/dbraw/zinc/84/85/40/425848540.db2.gz MGXKMXZLRRMDIA-UHFFFAOYSA-N -1 3 302.168 2.775 20 0 DFADHM COc1cc(CNc2ccn(C)n2)cc(Br)c1[O-] ZINC000037560400 425848691 /nfs/dbraw/zinc/84/86/91/425848691.db2.gz KQNWHJVYNKTVRG-UHFFFAOYSA-N -1 3 312.167 2.509 20 0 DFADHM O=C([O-])[C@H]1CCCN(CCOc2ccc(F)cc2Cl)C1 ZINC000041514494 425852135 /nfs/dbraw/zinc/85/21/35/425852135.db2.gz WAFSCAKZXJOLHE-JTQLQIEISA-N -1 3 301.745 2.655 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(C)C ZINC000044257701 425855837 /nfs/dbraw/zinc/85/58/37/425855837.db2.gz BVSTWRSEKHRNMR-NSHDSACASA-N -1 3 321.240 2.557 20 0 DFADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000192711461 268045668 /nfs/dbraw/zinc/04/56/68/268045668.db2.gz HHFLTEPVBMYSPV-UHFFFAOYSA-N -1 3 324.333 2.805 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(OCCC(C)C)CC2)on1 ZINC000193118241 268060281 /nfs/dbraw/zinc/06/02/81/268060281.db2.gz REKVOKRAWWKISJ-CQSZACIVSA-N -1 3 323.437 2.837 20 0 DFADHM COc1ccc2c(c1)[nH]nc2NC(=O)c1cccc(OC)c1[O-] ZINC000194816855 268117089 /nfs/dbraw/zinc/11/70/89/268117089.db2.gz IZCQEYUDVWOJBE-UHFFFAOYSA-N -1 3 313.313 2.538 20 0 DFADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000195212064 268129686 /nfs/dbraw/zinc/12/96/86/268129686.db2.gz XMEJCTLTDZYNNN-JTQLQIEISA-N -1 3 319.398 2.700 20 0 DFADHM CCN(CC)c1ccc(NC(=O)c2cc(OC)ccc2[O-])cn1 ZINC000195625818 268137361 /nfs/dbraw/zinc/13/73/61/268137361.db2.gz XLFGZCWOXBZQBC-UHFFFAOYSA-N -1 3 315.373 2.894 20 0 DFADHM COc1ccc2c(c1)CN(C(=O)c1ccc([O-])c(OC)c1)CC2 ZINC000268093408 268183595 /nfs/dbraw/zinc/18/35/95/268183595.db2.gz UPGCJZVDNOMUPC-UHFFFAOYSA-N -1 3 313.353 2.608 20 0 DFADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1)[C@@H](O)C(F)(F)F ZINC000270818177 268221574 /nfs/dbraw/zinc/22/15/74/268221574.db2.gz DJJFAYZSAJHGGO-VHSXEESVSA-N -1 3 311.250 2.596 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc([C@H]2CCOC2)c1 ZINC000270851610 268226019 /nfs/dbraw/zinc/22/60/19/268226019.db2.gz LZOHNKCKHDRKAR-HNNXBMFYSA-N -1 3 315.344 2.965 20 0 DFADHM O=C([N-]Cc1cn2c(n1)CCCC2)C(F)(F)c1ccccc1F ZINC000270888670 268231504 /nfs/dbraw/zinc/23/15/04/268231504.db2.gz XKUGMPXPWFZSAA-UHFFFAOYSA-N -1 3 323.318 2.767 20 0 DFADHM COCC[C@H]([N-]S(=O)(=O)c1ccsc1)c1ccc(C)o1 ZINC000286563907 268274088 /nfs/dbraw/zinc/27/40/88/268274088.db2.gz VMWLZZBNDHFOAP-LBPRGKRZSA-N -1 3 315.416 2.706 20 0 DFADHM COCCCON=C([O-])Nc1cc(F)ccc1OC(F)F ZINC000287281762 268276387 /nfs/dbraw/zinc/27/63/87/268276387.db2.gz YNQNUNOXXUWYSQ-UHFFFAOYSA-N -1 3 308.256 2.517 20 0 DFADHM COCCCO[N-]C(=O)Nc1cc(F)ccc1OC(F)F ZINC000287281762 268276391 /nfs/dbraw/zinc/27/63/91/268276391.db2.gz 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/nfs/dbraw/zinc/33/25/54/268332554.db2.gz RLDAWTDVVLASOB-UHFFFAOYSA-N -1 3 313.397 2.632 20 0 DFADHM C[C@H]1COCC[C@@H]1NCc1cccc([O-])c1Br ZINC000315218914 268341953 /nfs/dbraw/zinc/34/19/53/268341953.db2.gz OXPZAEFGGFKEBM-ONGXEEELSA-N -1 3 300.196 2.669 20 0 DFADHM C[C@H](NCc1cccc([O-])c1Br)[C@H]1CCOC1 ZINC000315561668 268343282 /nfs/dbraw/zinc/34/32/82/268343282.db2.gz MOHZQDRRRSWRDK-ONGXEEELSA-N -1 3 300.196 2.669 20 0 DFADHM C[C@@H]1CCC[C@]1(O)CNCc1cccc([O-])c1Br ZINC000315761134 268343704 /nfs/dbraw/zinc/34/37/04/268343704.db2.gz SXCFRDRTZHTQGM-YGRLFVJLSA-N -1 3 314.223 2.795 20 0 DFADHM [O-]c1cccc(CN[C@@H]2CCCOCC2)c1Br ZINC000315805907 268343801 /nfs/dbraw/zinc/34/38/01/268343801.db2.gz DYTCSMQDFAEDGZ-LLVKDONJSA-N -1 3 300.196 2.813 20 0 DFADHM COC1(CNCc2cccc([O-])c2Br)CCC1 ZINC000315675567 268344282 /nfs/dbraw/zinc/34/42/82/268344282.db2.gz ZIJVRSVOTILFHA-UHFFFAOYSA-N -1 3 300.196 2.813 20 0 DFADHM C[C@]1(C(=O)[O-])CCN(Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000316297076 268344665 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Cc1cccc(NC(=O)[C@H](C)[S@](=O)c2ccc([O-])cc2)c1 ZINC000108085957 426009919 /nfs/dbraw/zinc/00/99/19/426009919.db2.gz WGAUGZCRQYNMBZ-LAJNKCICSA-N -1 3 303.383 2.835 20 0 DFADHM Cc1ncncc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126432140 426019577 /nfs/dbraw/zinc/01/95/77/426019577.db2.gz REOLJTOOMKIYJS-UHFFFAOYSA-N -1 3 308.135 2.505 20 0 DFADHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(C)ccc1F)C(C)C ZINC000072715478 426020143 /nfs/dbraw/zinc/02/01/43/426020143.db2.gz MKRCGRLMTKBETM-CQSZACIVSA-N -1 3 317.426 2.864 20 0 DFADHM CCCC[C@H](COC)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000163078943 426088132 /nfs/dbraw/zinc/08/81/32/426088132.db2.gz GGJDVUGFANRSIU-LLVKDONJSA-N -1 3 321.389 2.589 20 0 DFADHM O=S(=O)([N-]c1cccc(O)c1F)c1cc(F)cc(F)c1 ZINC000127885335 426090842 /nfs/dbraw/zinc/09/08/42/426090842.db2.gz ZGBGPAPBYYBKIY-UHFFFAOYSA-N -1 3 303.261 2.610 20 0 DFADHM O=S(=O)([N-]c1cccc(O)c1F)c1cccc(Cl)c1 ZINC000127886820 426091035 /nfs/dbraw/zinc/09/10/35/426091035.db2.gz FUBDOTSXHWPEHJ-UHFFFAOYSA-N -1 3 301.726 2.986 20 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COC(=O)c1[nH]c(C)c(C(=O)Nc2cccc([O-])c2F)c1C ZINC000128924442 426137715 /nfs/dbraw/zinc/13/77/15/426137715.db2.gz GOEQAWNEZBEEQO-UHFFFAOYSA-N -1 3 306.293 2.515 20 0 DFADHM CC(C)Oc1cccc([C@@H](O)CNC(=O)c2ccccc2[O-])c1 ZINC000116984133 426203503 /nfs/dbraw/zinc/20/35/03/426203503.db2.gz IOIQWMQFTXKFLD-KRWDZBQOSA-N -1 3 315.369 2.643 20 0 DFADHM CC(C)CCn1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)nn1 ZINC000129913923 426141359 /nfs/dbraw/zinc/14/13/59/426141359.db2.gz WJBAQXHKONESGR-UHFFFAOYSA-N -1 3 322.438 2.726 20 0 DFADHM CCO[N-]C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000170685448 426145349 /nfs/dbraw/zinc/14/53/49/426145349.db2.gz MBKKSNRRKWXREZ-QWRGUYRKSA-N -1 3 311.357 2.512 20 0 DFADHM CCC[C@@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)C(C)C ZINC000130044362 426145828 /nfs/dbraw/zinc/14/58/28/426145828.db2.gz SJFMLKCDRQHYRY-MRXNPFEDSA-N -1 3 320.433 2.701 20 0 DFADHM CCc1cc2c(CN3CCCO[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC000170774019 426149881 /nfs/dbraw/zinc/14/98/81/426149881.db2.gz DRLGUEGFWNYXLE-LBPRGKRZSA-N -1 3 317.385 2.672 20 0 DFADHM CCCc1cc(NCc2ccc([O-])c(F)c2)n2ncnc2n1 ZINC000078020264 426155656 /nfs/dbraw/zinc/15/56/56/426155656.db2.gz ZRKUPPWDQGZWHR-UHFFFAOYSA-N -1 3 301.325 2.534 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(CCO)cc3)n[n-]2)o1 ZINC000171103857 426169583 /nfs/dbraw/zinc/16/95/83/426169583.db2.gz FXKUUUYVWBASJP-UHFFFAOYSA-N -1 3 311.341 2.765 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(CCO)cc3)[n-]n2)o1 ZINC000171103857 426169585 /nfs/dbraw/zinc/16/95/85/426169585.db2.gz FXKUUUYVWBASJP-UHFFFAOYSA-N -1 3 311.341 2.765 20 0 DFADHM COCc1csc(NC(=O)c2c[n-]nc2-c2ccccc2)n1 ZINC000115723316 426172258 /nfs/dbraw/zinc/17/22/58/426172258.db2.gz HDOZHBJQZPCIKJ-UHFFFAOYSA-N -1 3 314.370 2.932 20 0 DFADHM COCc1csc(NC(=O)c2cn[n-]c2-c2ccccc2)n1 ZINC000115723316 426172262 /nfs/dbraw/zinc/17/22/62/426172262.db2.gz HDOZHBJQZPCIKJ-UHFFFAOYSA-N -1 3 314.370 2.932 20 0 DFADHM COc1ccc([O-])c(C(=O)N(C)CCOc2ccc(F)cc2)c1 ZINC000078573085 426176063 /nfs/dbraw/zinc/17/60/63/426176063.db2.gz PTPQOQNQOYGZNN-UHFFFAOYSA-N -1 3 319.332 2.691 20 0 DFADHM O=C(c1ccc([O-])cc1)C1CCN(C[C@@H]2CCCCO2)CC1 ZINC000078657416 426179731 /nfs/dbraw/zinc/17/97/31/426179731.db2.gz JWDAKBWSGCBNCZ-KRWDZBQOSA-N -1 3 303.402 2.856 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1cc(F)ccc1F)c1nccs1 ZINC000116377029 426187513 /nfs/dbraw/zinc/18/75/13/426187513.db2.gz YRSDSDSAAMCNRK-UHFFFAOYSA-N -1 3 318.370 2.635 20 0 DFADHM O=S(=O)([N-]C(C1CC1)C1CC1)c1cc(F)ccc1Cl ZINC000171416389 426189283 /nfs/dbraw/zinc/18/92/83/426189283.db2.gz YPSDUAFSMSHMSL-UHFFFAOYSA-N -1 3 303.786 2.946 20 0 DFADHM CC(C)(C)c1noc(CSc2n[n-]c(-c3ccccn3)n2)n1 ZINC000117112303 426206486 /nfs/dbraw/zinc/20/64/86/426206486.db2.gz KEPPTDDHUBPUDV-UHFFFAOYSA-N -1 3 316.390 2.840 20 0 DFADHM CC(C)COc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cn1 ZINC000116818041 426197104 /nfs/dbraw/zinc/19/71/04/426197104.db2.gz FTXNHPVWEAWDBY-UHFFFAOYSA-N -1 3 311.345 2.640 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)sc1C ZINC000135576073 426223818 /nfs/dbraw/zinc/22/38/18/426223818.db2.gz LAPDABXQENCOLY-UHFFFAOYSA-N -1 3 313.386 2.721 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)sc1C ZINC000135576073 426223820 /nfs/dbraw/zinc/22/38/20/426223820.db2.gz LAPDABXQENCOLY-UHFFFAOYSA-N -1 3 313.386 2.721 20 0 DFADHM CCOC(=O)CC[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000339113764 268755305 /nfs/dbraw/zinc/75/53/05/268755305.db2.gz FXQDRDOBTCAUIC-JTQLQIEISA-N -1 3 306.391 2.691 20 0 DFADHM CC(C)(C)CCCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136989247 426249420 /nfs/dbraw/zinc/24/94/20/426249420.db2.gz LQGVCXDOAUVGME-UHFFFAOYSA-N -1 3 301.394 2.945 20 0 DFADHM CC(C)(C)CCCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136989247 426249423 /nfs/dbraw/zinc/24/94/23/426249423.db2.gz LQGVCXDOAUVGME-UHFFFAOYSA-N -1 3 301.394 2.945 20 0 DFADHM Cc1cccc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000137050814 426249724 /nfs/dbraw/zinc/24/97/24/426249724.db2.gz MWJMNRYNVVVWOS-ZDUSSCGKSA-N -1 3 319.401 2.895 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000137045879 426250250 /nfs/dbraw/zinc/25/02/50/426250250.db2.gz HNDYOUOTRRXTHJ-CYBMUJFWSA-N -1 3 319.401 2.895 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)ccc1Cl ZINC000151042430 426274595 /nfs/dbraw/zinc/27/45/95/426274595.db2.gz PWWUTTFITFAZCU-IEBDPFPHSA-N -1 3 322.213 2.592 20 0 DFADHM COc1cccc(F)c1[C@H](C)N[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000174228318 426253105 /nfs/dbraw/zinc/25/31/05/426253105.db2.gz ANQSIASFMQWWMS-WDEREUQCSA-N -1 3 321.352 2.809 20 0 DFADHM COc1cccc(F)c1[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000174494167 426258508 /nfs/dbraw/zinc/25/85/08/426258508.db2.gz MBXHIJHLUYEKOK-VIFPVBQESA-N -1 3 305.305 2.737 20 0 DFADHM COc1cccc(C(=O)NC[C@H](C)Oc2ccc(F)cc2)c1[O-] ZINC000174545542 426259638 /nfs/dbraw/zinc/25/96/38/426259638.db2.gz MLTXLMYAKHHYQQ-NSHDSACASA-N -1 3 319.332 2.737 20 0 DFADHM COc1cccc(C(=O)NC[C@@H](C)Oc2ccccc2F)c1[O-] ZINC000174542711 426259851 /nfs/dbraw/zinc/25/98/51/426259851.db2.gz PDIVEZWXYKYZIR-LLVKDONJSA-N -1 3 319.332 2.737 20 0 DFADHM COc1ccc(C(=O)N[C@H](C)COCc2ccccc2)c([O-])c1 ZINC000174588741 426260556 /nfs/dbraw/zinc/26/05/56/426260556.db2.gz FRMPTBPNBZVLBS-CYBMUJFWSA-N -1 3 315.369 2.736 20 0 DFADHM CCc1ccc(CN(C)C(=O)c2cnc3c(cnn3C)c2[O-])cc1 ZINC000119109864 426262877 /nfs/dbraw/zinc/26/28/77/426262877.db2.gz YTZVOFYHTLRZOV-UHFFFAOYSA-N -1 3 324.384 2.509 20 0 DFADHM CC(C)c1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cn1 ZINC000119266202 426273069 /nfs/dbraw/zinc/27/30/69/426273069.db2.gz SVWSDZPCEMDAGR-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CC(C)c1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cn1 ZINC000119266202 426273071 /nfs/dbraw/zinc/27/30/71/426273071.db2.gz SVWSDZPCEMDAGR-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CN(C)CCN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000080035219 426209329 /nfs/dbraw/zinc/20/93/29/426209329.db2.gz RZJANFHHPIZRQP-UHFFFAOYSA-N -1 3 306.793 2.832 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H](C)c1cccnc1)c2=O ZINC000135283532 426212011 /nfs/dbraw/zinc/21/20/11/426212011.db2.gz DZIGXIOCZCZOKI-LLVKDONJSA-N -1 3 323.352 2.835 20 0 DFADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000117374596 426212743 /nfs/dbraw/zinc/21/27/43/426212743.db2.gz SSVXRLZVYIBTCJ-ZJUUUORDSA-N -1 3 321.414 2.917 20 0 DFADHM Cc1nsc([N-]C(=O)c2csc(Br)c2)n1 ZINC000135307398 426212869 /nfs/dbraw/zinc/21/28/69/426212869.db2.gz PCVFXRCWXJJUAL-UHFFFAOYSA-N -1 3 304.194 2.923 20 0 DFADHM Cc1cc2c([n-]c(CN(C)C(=O)c3ccccc3)nc2=O)s1 ZINC000117428502 426214277 /nfs/dbraw/zinc/21/42/77/426214277.db2.gz QDQBXQKEJVTGPX-UHFFFAOYSA-N -1 3 313.382 2.565 20 0 DFADHM CC[C@@H](C)OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151395038 426293236 /nfs/dbraw/zinc/29/32/36/426293236.db2.gz MKJVADJUNFZPFV-SECBINFHSA-N -1 3 316.195 2.586 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@@H](c2cccnc2)C(C)C)c1 ZINC000175310014 426295407 /nfs/dbraw/zinc/29/54/07/426295407.db2.gz QPNWEMOQZOAWTH-MRXNPFEDSA-N -1 3 314.385 2.965 20 0 DFADHM Cc1cccc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1[O-] ZINC000151497693 426298337 /nfs/dbraw/zinc/29/83/37/426298337.db2.gz OQTFBEHDSSGTQQ-MRXNPFEDSA-N -1 3 313.353 2.620 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000151543509 426300563 /nfs/dbraw/zinc/30/05/63/426300563.db2.gz JSUGMIIBFQGFBE-GHMZBOCLSA-N -1 3 310.191 2.817 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc3cc[nH]c3c2)n[n-]1 ZINC000119820064 426302301 /nfs/dbraw/zinc/30/23/01/426302301.db2.gz HJZUJQLKRNTDTH-UHFFFAOYSA-N -1 3 306.329 2.544 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc3cc[nH]c3c2)[n-]n1 ZINC000119820064 426302302 /nfs/dbraw/zinc/30/23/02/426302302.db2.gz HJZUJQLKRNTDTH-UHFFFAOYSA-N -1 3 306.329 2.544 20 0 DFADHM CN(C)Cc1ccc(CNC(=O)c2c([O-])cccc2F)cc1 ZINC000120033005 426305864 /nfs/dbraw/zinc/30/58/64/426305864.db2.gz CCVKMDCFRXMNMH-UHFFFAOYSA-N -1 3 302.349 2.523 20 0 DFADHM COc1cccc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c1[O-] ZINC000175463629 426306879 /nfs/dbraw/zinc/30/68/79/426306879.db2.gz BMQLSZSBGLLGIK-BLLLJJGKSA-N -1 3 307.390 2.582 20 0 DFADHM COc1ccc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)c([O-])c1 ZINC000175462392 426307249 /nfs/dbraw/zinc/30/72/49/426307249.db2.gz RUKUPLWJDLRVAP-MLGOLLRUSA-N -1 3 307.390 2.582 20 0 DFADHM COc1cccc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)c1[O-] ZINC000175463674 426307306 /nfs/dbraw/zinc/30/73/06/426307306.db2.gz BMQLSZSBGLLGIK-MLGOLLRUSA-N -1 3 307.390 2.582 20 0 DFADHM COc1cccc(C(=O)NC[C@H]2CCCO[C@H]2C(C)C)c1[O-] ZINC000175463700 426307366 /nfs/dbraw/zinc/30/73/66/426307366.db2.gz BMQLSZSBGLLGIK-WBMJQRKESA-N -1 3 307.390 2.582 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc3c(c2)C(=O)CCC3)on1 ZINC000175512671 426309811 /nfs/dbraw/zinc/30/98/11/426309811.db2.gz GKBKGMCNGMRCBC-NSHDSACASA-N -1 3 313.357 2.941 20 0 DFADHM CC(C)n1nccc1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000120567094 426312313 /nfs/dbraw/zinc/31/23/13/426312313.db2.gz ZIEPNVXFROSMNN-UHFFFAOYSA-N -1 3 314.324 2.641 20 0 DFADHM CC(C)CCSCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120650591 426313523 /nfs/dbraw/zinc/31/35/23/426313523.db2.gz XSUKKTWEXZXWCF-UHFFFAOYSA-N -1 3 319.434 2.508 20 0 DFADHM CC(C)CCSCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120650591 426313524 /nfs/dbraw/zinc/31/35/24/426313524.db2.gz XSUKKTWEXZXWCF-UHFFFAOYSA-N -1 3 319.434 2.508 20 0 DFADHM C[C@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)C(C)(C)C ZINC000120744740 426315101 /nfs/dbraw/zinc/31/51/01/426315101.db2.gz ACFGTJLSAIORGY-LLVKDONJSA-N -1 3 301.394 2.801 20 0 DFADHM C[C@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)C(C)(C)C ZINC000120744740 426315103 /nfs/dbraw/zinc/31/51/03/426315103.db2.gz ACFGTJLSAIORGY-LLVKDONJSA-N -1 3 301.394 2.801 20 0 DFADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc2cc[nH]c21 ZINC000120719501 426315436 /nfs/dbraw/zinc/31/54/36/426315436.db2.gz UJPUPFMTRZTHST-UHFFFAOYSA-N -1 3 318.340 2.524 20 0 DFADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc2cc[nH]c21 ZINC000120719501 426315438 /nfs/dbraw/zinc/31/54/38/426315438.db2.gz UJPUPFMTRZTHST-UHFFFAOYSA-N -1 3 318.340 2.524 20 0 DFADHM Cc1nsc([N-]C(=O)c2cnn(CC(C)C)c2C(F)F)n1 ZINC000089917808 426318103 /nfs/dbraw/zinc/31/81/03/426318103.db2.gz UTAKOQUTVVHCGU-UHFFFAOYSA-N -1 3 315.349 2.889 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCOc3ccccc32)s1 ZINC000175729070 426323985 /nfs/dbraw/zinc/32/39/85/426323985.db2.gz WIYCYJRPUZVLGA-LBPRGKRZSA-N -1 3 324.427 2.562 20 0 DFADHM Cc1cc(F)ccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371122 426325975 /nfs/dbraw/zinc/32/59/75/426325975.db2.gz MEUVEWLKERQJFV-UHFFFAOYSA-N -1 3 301.243 2.848 20 0 DFADHM COc1cccc(C(=O)[N-]c2nnc(C(F)F)s2)c1F ZINC000090418860 426326424 /nfs/dbraw/zinc/32/64/24/426326424.db2.gz XDWVYWYXBWPYFE-UHFFFAOYSA-N -1 3 303.265 2.876 20 0 DFADHM Cc1[nH]nc2ncc(NC(=O)c3c[n-]nc3-c3ccccc3)cc12 ZINC000090409070 426326654 /nfs/dbraw/zinc/32/66/54/426326654.db2.gz JFHGJJQOPNZXKR-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM CN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@@H]1CCCN(C)C1 ZINC000175838930 426332206 /nfs/dbraw/zinc/33/22/06/426332206.db2.gz OEOPVNKTKXJQAP-SECBINFHSA-N -1 3 317.216 2.865 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000152294697 426336739 /nfs/dbraw/zinc/33/67/39/426336739.db2.gz ORFLMQXBZAZGHF-CHWSQXEVSA-N -1 3 304.296 2.711 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000152334858 426338678 /nfs/dbraw/zinc/33/86/78/426338678.db2.gz BEDPNWCAUFKUDE-OLZOCXBDSA-N -1 3 304.296 2.711 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000152334951 426338730 /nfs/dbraw/zinc/33/87/30/426338730.db2.gz BEDPNWCAUFKUDE-QWHCGFSZSA-N -1 3 304.296 2.711 20 0 DFADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000175085441 426278633 /nfs/dbraw/zinc/27/86/33/426278633.db2.gz QSDVIFXEKTZUQZ-STQMWFEESA-N -1 3 311.337 2.906 20 0 DFADHM CC[C@@](C)(NC(=O)c1ccc(O)cc1[O-])c1nc(C)cs1 ZINC000151235222 426285766 /nfs/dbraw/zinc/28/57/66/426285766.db2.gz DTIJMZIUXVCOKE-OAHLLOKOSA-N -1 3 306.387 2.918 20 0 DFADHM O=S(=O)([N-]Cc1ccncc1)c1cc(Cl)cc(Cl)c1 ZINC000119424279 426287286 /nfs/dbraw/zinc/28/72/86/426287286.db2.gz 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426347950 /nfs/dbraw/zinc/34/79/50/426347950.db2.gz MUMKARZIWJMOKY-UHFFFAOYSA-N -1 3 301.342 2.605 20 0 DFADHM C[C@@H]1CC(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C[C@@H](C)O1 ZINC000092559202 426349492 /nfs/dbraw/zinc/34/94/92/426349492.db2.gz ZLVIZABDHJSODO-GHMZBOCLSA-N -1 3 319.401 2.792 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cccc(Cn3cccn3)c2)c1 ZINC000121591543 426351227 /nfs/dbraw/zinc/35/12/27/426351227.db2.gz PGZQZJLORALETL-UHFFFAOYSA-N -1 3 323.352 2.898 20 0 DFADHM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1ccc2n[n-]nc2c1 ZINC000176143446 426355416 /nfs/dbraw/zinc/35/54/16/426355416.db2.gz WMOUWKLIRYMLQS-GFCCVEGCSA-N -1 3 312.295 2.809 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2C)c1 ZINC000152996173 426365080 /nfs/dbraw/zinc/36/50/80/426365080.db2.gz BVUUKYITKPLOJR-MLGOLLRUSA-N -1 3 319.430 2.676 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1CCCc2sccc21 ZINC000122368871 426371850 /nfs/dbraw/zinc/37/18/50/426371850.db2.gz SLRPLUJTOVJKPJ-ZETCQYMHSA-N -1 3 316.308 2.944 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1CCCc2sccc21 ZINC000122368871 426371851 /nfs/dbraw/zinc/37/18/51/426371851.db2.gz SLRPLUJTOVJKPJ-ZETCQYMHSA-N -1 3 316.308 2.944 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC(OC3CCOCC3)CC2)c1 ZINC000153147212 426372371 /nfs/dbraw/zinc/37/23/71/426372371.db2.gz XQORLBVHQSOZCP-UHFFFAOYSA-N -1 3 319.401 2.501 20 0 DFADHM COC(=O)[C@H](C)[C@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000176402601 426378233 /nfs/dbraw/zinc/37/82/33/426378233.db2.gz PUCNZBKXYGADRO-WBMJQRKESA-N -1 3 313.353 2.672 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1C ZINC000176421146 426379856 /nfs/dbraw/zinc/37/98/56/426379856.db2.gz DALQOCISTVVPFM-UHFFFAOYSA-N -1 3 319.430 2.561 20 0 DFADHM COc1cc(CC[N-]S(=O)(=O)c2ccccc2F)ccc1C ZINC000153322186 426380205 /nfs/dbraw/zinc/38/02/05/426380205.db2.gz RGFHJXAMRLATRW-UHFFFAOYSA-N -1 3 323.389 2.664 20 0 DFADHM C=CC(=O)NCc1ccc(C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000122537086 426380920 /nfs/dbraw/zinc/38/09/20/426380920.db2.gz YDMHSHQLKNQESY-UHFFFAOYSA-N -1 3 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ZINC000177140384 426447600 /nfs/dbraw/zinc/44/76/00/426447600.db2.gz OHDFPRJIUJHDGP-CQQXOOPHSA-N -1 3 320.418 2.553 20 0 DFADHM CCNc1ncc(C(=O)[N-]c2nnc(CC(C)C)s2)s1 ZINC000177014598 426433835 /nfs/dbraw/zinc/43/38/35/426433835.db2.gz RJMCHMJRRXIPDW-UHFFFAOYSA-N -1 3 311.436 2.877 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2ccc(F)cc2C1 ZINC000154309660 426435844 /nfs/dbraw/zinc/43/58/44/426435844.db2.gz PYPYAQRKHOVVEM-UHFFFAOYSA-N -1 3 318.323 2.938 20 0 DFADHM CN(C)[C@@H](CNC(=O)c1ccc(F)cc1[O-])c1ccc(F)cc1 ZINC000123477246 426436072 /nfs/dbraw/zinc/43/60/72/426436072.db2.gz DFVXTIDTLOMNMY-HNNXBMFYSA-N -1 3 320.339 2.703 20 0 DFADHM CCC1(C(=O)NCCCNC(=O)c2cccc([O-])c2)CCCC1 ZINC000154586884 426445627 /nfs/dbraw/zinc/44/56/27/426445627.db2.gz IPYNQJJMNDHXJF-UHFFFAOYSA-N -1 3 318.417 2.599 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccn1 ZINC000340727247 269005590 /nfs/dbraw/zinc/00/55/90/269005590.db2.gz WQOIWCYQPXAHPV-SECBINFHSA-N -1 3 314.769 2.914 20 0 DFADHM CCc1ccc([C@@H](C)NC(=O)c2c[n-]c3ccncc3c2=O)cc1 ZINC000340831251 269018773 /nfs/dbraw/zinc/01/87/73/269018773.db2.gz HERJHBOPDWBHFQ-GFCCVEGCSA-N -1 3 321.380 2.977 20 0 DFADHM Cc1nc([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cs1 ZINC000340980417 269031857 /nfs/dbraw/zinc/03/18/57/269031857.db2.gz QIOAPGDHJZQBON-VIFPVBQESA-N -1 3 313.382 2.784 20 0 DFADHM CCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000340992440 269034584 /nfs/dbraw/zinc/03/45/84/269034584.db2.gz QUAILLTWYKSCNZ-NSHDSACASA-N -1 3 323.418 2.689 20 0 DFADHM O=S(=O)([N-]CCC1(O)CCC1)c1ccc(Cl)c(Cl)c1 ZINC000341074038 269039125 /nfs/dbraw/zinc/03/91/25/269039125.db2.gz DKIAXFKQCFNINJ-UHFFFAOYSA-N -1 3 324.229 2.577 20 0 DFADHM O=C(NCCc1cc2ccccc2o1)c1ccc2n[n-]nc2c1 ZINC000123821289 426454925 /nfs/dbraw/zinc/45/49/25/426454925.db2.gz XWHQLFDNSVQHRP-UHFFFAOYSA-N -1 3 306.325 2.677 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N(C)Cc3ccncc3)c[n-]c12 ZINC000155278179 426467859 /nfs/dbraw/zinc/46/78/59/426467859.db2.gz GKTBUBVGWQQJMS-UHFFFAOYSA-N -1 3 307.353 2.916 20 0 DFADHM Cc1ccc(C(=O)Nc2ccccc2N2CCOC2=O)c([O-])c1 ZINC000102257069 426488323 /nfs/dbraw/zinc/48/83/23/426488323.db2.gz VSYRVVHRUXLEDR-UHFFFAOYSA-N -1 3 312.325 2.910 20 0 DFADHM O=C(c1ccc(F)cc1[O-])N1CCN(C2CCCCC2)CC1 ZINC000124169644 426473840 /nfs/dbraw/zinc/47/38/40/426473840.db2.gz AKJMGXJSKOMQIE-UHFFFAOYSA-N -1 3 306.381 2.622 20 0 DFADHM C[C@@]1(O)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000177397158 426474961 /nfs/dbraw/zinc/47/49/61/426474961.db2.gz SHDUFSUMVXUCKX-GOSISDBHSA-N -1 3 313.353 2.781 20 0 DFADHM COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc([O-])cc(F)c1 ZINC000186150274 426488814 /nfs/dbraw/zinc/48/88/14/426488814.db2.gz MFIXQHRUZIOMEO-QGZVFWFLSA-N -1 3 315.344 2.631 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000101950349 426487253 /nfs/dbraw/zinc/48/72/53/426487253.db2.gz PVTGDONTTNSYRM-HNNXBMFYSA-N -1 3 322.368 2.619 20 0 DFADHM C[C@]1(O)CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000280193141 426516593 /nfs/dbraw/zinc/51/65/93/426516593.db2.gz DGESEEFMTRGKFN-SFHVURJKSA-N -1 3 303.402 2.648 20 0 DFADHM COc1ccc([O-])c(-c2nc([C@@H](C)C(=O)OC(C)(C)C)no2)c1 ZINC000280192681 426517027 /nfs/dbraw/zinc/51/70/27/426517027.db2.gz AWFHMKDLFWAKGX-SECBINFHSA-N -1 3 320.345 2.896 20 0 DFADHM CC(C)N1CCC(N(C)Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000264223500 426521536 /nfs/dbraw/zinc/52/15/36/426521536.db2.gz PXHOBUXHKQLPQW-UHFFFAOYSA-N -1 3 320.462 2.702 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2C(C)(C)C)c(=O)[n-]1 ZINC000264219686 426521843 /nfs/dbraw/zinc/52/18/43/426521843.db2.gz KLPDYLUMFGFEKN-AWEZNQCLSA-N -1 3 305.422 2.769 20 0 DFADHM CCCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(C)c1[O-] ZINC000186412354 426522361 /nfs/dbraw/zinc/52/23/61/426522361.db2.gz QBGRJFRMOPQLQG-UHFFFAOYSA-N -1 3 307.390 2.895 20 0 DFADHM CC(C)(C)CC[C@@H]1NC(=O)N(Cc2ccc([O-])c(F)c2)C1=O ZINC000280210294 426522915 /nfs/dbraw/zinc/52/29/15/426522915.db2.gz UBTGJINKCIJQDU-LBPRGKRZSA-N -1 3 308.353 2.778 20 0 DFADHM C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)c1cnn(C)c1 ZINC000280217346 426523711 /nfs/dbraw/zinc/52/37/11/426523711.db2.gz ROCIFZKQJVIIEY-QMMMGPOBSA-N -1 3 313.279 2.636 20 0 DFADHM COc1cccc(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1[O-] ZINC000186431405 426525433 /nfs/dbraw/zinc/52/54/33/426525433.db2.gz JQFDUSKFDAFDNF-JTQLQIEISA-N -1 3 301.346 2.821 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000177912620 426536919 /nfs/dbraw/zinc/53/69/19/426536919.db2.gz IYSOYXYNXGLDPO-ZDUSSCGKSA-N -1 3 316.380 2.513 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CCCOc2ccccc2)n1 ZINC000177917552 426539055 /nfs/dbraw/zinc/53/90/55/426539055.db2.gz UJUYCYGTHAYGOC-AWEZNQCLSA-N -1 3 301.390 2.953 20 0 DFADHM Cc1cccc(N2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC000177915347 426539218 /nfs/dbraw/zinc/53/92/18/426539218.db2.gz CLILAYIRRCBZFJ-OAHLLOKOSA-N -1 3 312.417 2.682 20 0 DFADHM CCC[C@H](O)CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000186521575 426542894 /nfs/dbraw/zinc/54/28/94/426542894.db2.gz CCACFFFWZCLKQS-QMMMGPOBSA-N -1 3 313.810 2.682 20 0 DFADHM CCc1[nH]c(C(=O)Nc2ccccc2[O-])c(C)c1C(=O)OC ZINC000198138661 426543610 /nfs/dbraw/zinc/54/36/10/426543610.db2.gz ACOLWKLSIZXQPH-UHFFFAOYSA-N -1 3 302.330 2.630 20 0 DFADHM Cc1c([O-])ccc2c(CN3CCCC[C@H]3[C@@H](C)O)cc(=O)oc12 ZINC000264448154 426555331 /nfs/dbraw/zinc/55/53/31/426555331.db2.gz RMRQVFYMBWVDNK-DOMZBBRYSA-N -1 3 317.385 2.542 20 0 DFADHM CN(C)c1cccc(CCC(=O)[N-]OCCC(F)(F)F)c1 ZINC000280313347 426547632 /nfs/dbraw/zinc/54/76/32/426547632.db2.gz NUCTYRJLLOBBBF-UHFFFAOYSA-N -1 3 304.312 2.685 20 0 DFADHM COc1cc(Cl)c(NC([O-])=NOC[C@H]2CCOC2)cc1C ZINC000288928355 426552825 /nfs/dbraw/zinc/55/28/25/426552825.db2.gz ORCNZSPLRMJOCK-JTQLQIEISA-N -1 3 314.769 2.747 20 0 DFADHM COc1cc(Cl)c(NC(=O)[N-]OC[C@H]2CCOC2)cc1C ZINC000288928355 426552827 /nfs/dbraw/zinc/55/28/27/426552827.db2.gz ORCNZSPLRMJOCK-JTQLQIEISA-N -1 3 314.769 2.747 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000186161139 426489674 /nfs/dbraw/zinc/48/96/74/426489674.db2.gz YFAOSWSRXGHXNG-NEPJUHHUSA-N -1 3 318.377 2.989 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000186161139 426489676 /nfs/dbraw/zinc/48/96/76/426489676.db2.gz YFAOSWSRXGHXNG-NEPJUHHUSA-N -1 3 318.377 2.989 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000186161139 426489677 /nfs/dbraw/zinc/48/96/77/426489677.db2.gz YFAOSWSRXGHXNG-NEPJUHHUSA-N -1 3 318.377 2.989 20 0 DFADHM CNC(=O)c1ccc(CN(C)Cc2cc([O-])cc(F)c2)cc1 ZINC000186166488 426490236 /nfs/dbraw/zinc/49/02/36/426490236.db2.gz ZNHHVBIOJJJQMT-UHFFFAOYSA-N -1 3 302.349 2.523 20 0 DFADHM Cc1nc(C[C@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)no1 ZINC000186207483 426493912 /nfs/dbraw/zinc/49/39/12/426493912.db2.gz WBBFQLHMTQZIAA-GFCCVEGCSA-N -1 3 305.353 2.677 20 0 DFADHM C[C@@H](c1cccnc1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186227764 426496118 /nfs/dbraw/zinc/49/61/18/426496118.db2.gz BKGXVLYJGBSEIE-AWEZNQCLSA-N -1 3 315.392 2.805 20 0 DFADHM Cc1nc(N2CCN(Cc3cc([O-])cc(F)c3)CC2)sc1C ZINC000186245447 426497157 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Cc1cc(C(=O)NC[C@H](c2ccsc2)N(C)C)ccc1[O-] ZINC000272357420 426504184 /nfs/dbraw/zinc/50/41/84/426504184.db2.gz BNIOTDWBOKCHGT-CQSZACIVSA-N -1 3 304.415 2.795 20 0 DFADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([O-])c(OC)c2)C1(C)C ZINC000272603845 426572927 /nfs/dbraw/zinc/57/29/27/426572927.db2.gz LOUOFNRLFYEYOK-LSDHHAIUSA-N -1 3 307.390 2.676 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)c2nccs2)c(F)c1 ZINC000186685600 426577878 /nfs/dbraw/zinc/57/78/78/426577878.db2.gz YQIIBEVFKHSDFS-JTQLQIEISA-N -1 3 314.407 2.673 20 0 DFADHM CC(C)CO[N-]C(=O)Nc1ccccc1-c1nnnn1C(C)C ZINC000273226967 426621229 /nfs/dbraw/zinc/62/12/29/426621229.db2.gz USYBKAXBUKBPMT-UHFFFAOYSA-N -1 3 318.381 2.630 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@H]1CCCCS1 ZINC000273067755 426587738 /nfs/dbraw/zinc/58/77/38/426587738.db2.gz KDCIUZLSNNAPKZ-LLVKDONJSA-N -1 3 306.366 2.835 20 0 DFADHM CC(C)OCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000186582278 426557021 /nfs/dbraw/zinc/55/70/21/426557021.db2.gz QZNJVDDUEXOOGV-UHFFFAOYSA-N -1 3 312.218 2.697 20 0 DFADHM Cc1ccc(C(=O)NCCc2nn(C)c3ccccc23)c([O-])c1 ZINC000187004597 426620366 /nfs/dbraw/zinc/62/03/66/426620366.db2.gz KBHLYGNXVQTHLW-UHFFFAOYSA-N -1 3 309.369 2.560 20 0 DFADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000273560090 426686189 /nfs/dbraw/zinc/68/61/89/426686189.db2.gz DQRYJHQFVBVUDH-SSDOTTSWSA-N -1 3 317.823 2.539 20 0 DFADHM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000265438647 426636550 /nfs/dbraw/zinc/63/65/50/426636550.db2.gz VJMSWKKBTSUAAO-SWLSCSKDSA-N -1 3 313.419 2.785 20 0 DFADHM C[C@H](c1ccccn1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289389022 426646108 /nfs/dbraw/zinc/64/61/08/426646108.db2.gz DGLUUXOCGDRAOJ-VXGBXAGGSA-N -1 3 315.339 2.533 20 0 DFADHM CSCCON=C([O-])Nc1cc(C)n(-c2ccc(C)cc2)n1 ZINC000280742973 426646262 /nfs/dbraw/zinc/64/62/62/426646262.db2.gz FLAKEKUBSPZOSF-UHFFFAOYSA-N -1 3 320.418 2.905 20 0 DFADHM CSCCO[N-]C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 ZINC000280742973 426646265 /nfs/dbraw/zinc/64/62/65/426646265.db2.gz 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CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000265850615 426699607 /nfs/dbraw/zinc/69/96/07/426699607.db2.gz VWISMXPIDYJLQE-GFCCVEGCSA-N -1 3 309.366 2.746 20 0 DFADHM CO[C@]1(C)C[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1(C)C ZINC000266724741 426767386 /nfs/dbraw/zinc/76/73/86/426767386.db2.gz VROUAGVWZBACOR-MAUKXSAKSA-N -1 3 314.385 2.874 20 0 DFADHM O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1c[n-]nn1 ZINC000281804329 426767728 /nfs/dbraw/zinc/76/77/28/426767728.db2.gz WKPKYSBURQDBOQ-KYZUINATSA-N -1 3 311.172 2.788 20 0 DFADHM O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1cnn[n-]1 ZINC000281804329 426767735 /nfs/dbraw/zinc/76/77/35/426767735.db2.gz WKPKYSBURQDBOQ-KYZUINATSA-N -1 3 311.172 2.788 20 0 DFADHM O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1cn[n-]n1 ZINC000281804329 426767739 /nfs/dbraw/zinc/76/77/39/426767739.db2.gz WKPKYSBURQDBOQ-KYZUINATSA-N -1 3 311.172 2.788 20 0 DFADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(Cl)c(F)c1)c2[O-] ZINC000179434736 426789614 /nfs/dbraw/zinc/78/96/14/426789614.db2.gz XNMNSNNUELDNNC-UHFFFAOYSA-N -1 3 320.711 2.719 20 0 DFADHM CC(C)c1noc([N-]Cc2nc(COc3ccccc3)n[nH]2)n1 ZINC000274442478 426769414 /nfs/dbraw/zinc/76/94/14/426769414.db2.gz GWLJCUADUZPKOQ-UHFFFAOYSA-N -1 3 314.349 2.502 20 0 DFADHM CC(C)c1noc([N-]Cc2n[nH]c(COc3ccccc3)n2)n1 ZINC000274442478 426769418 /nfs/dbraw/zinc/76/94/18/426769418.db2.gz GWLJCUADUZPKOQ-UHFFFAOYSA-N -1 3 314.349 2.502 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cc(C3CC3)n(C)n2)c1[O-] ZINC000290503137 426779150 /nfs/dbraw/zinc/77/91/50/426779150.db2.gz IZDFNPBZCHUJIJ-UHFFFAOYSA-N -1 3 301.346 2.572 20 0 DFADHM Cc1ccc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)c([O-])c1 ZINC000188690209 426779187 /nfs/dbraw/zinc/77/91/87/426779187.db2.gz YZUHIROKIMEIHY-LBPRGKRZSA-N -1 3 314.389 2.633 20 0 DFADHM COC(=O)CCCO[N-]C(=O)[C@H](C)CCCc1ccccc1 ZINC000290514565 426781356 /nfs/dbraw/zinc/78/13/56/426781356.db2.gz FWTFARBLPIQHLV-CQSZACIVSA-N -1 3 307.390 2.646 20 0 DFADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccco2)C1(CC)CC ZINC000188748481 426784304 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CCCCCC[C@@H](C)CC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179091347 426750207 /nfs/dbraw/zinc/75/02/07/426750207.db2.gz JULRTURCUWNFJB-CYBMUJFWSA-N -1 3 305.422 2.651 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CC2(O)CCCCC2)sc1Cl ZINC000188452009 426754564 /nfs/dbraw/zinc/75/45/64/426754564.db2.gz PUGMGYUZFYFFKD-UHFFFAOYSA-N -1 3 323.867 2.683 20 0 DFADHM COc1cc(C(=O)N[C@@H](C)c2cccs2)cc(OC)c1[O-] ZINC000179131009 426756630 /nfs/dbraw/zinc/75/66/30/426756630.db2.gz VIBNNGCWGBMDNE-VIFPVBQESA-N -1 3 307.371 2.962 20 0 DFADHM CC(=O)Nc1cccc(C(=O)NCc2ccc([O-])c(F)c2)c1C ZINC000188536942 426762495 /nfs/dbraw/zinc/76/24/95/426762495.db2.gz PDIAKRUUHMAINV-UHFFFAOYSA-N -1 3 316.332 2.728 20 0 DFADHM O=C(c1ccccc1[O-])N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000290422086 426763116 /nfs/dbraw/zinc/76/31/16/426763116.db2.gz AYZVGPVJJMVRKP-OAHLLOKOSA-N -1 3 308.381 2.669 20 0 DFADHM COCCCOc1cccc(C[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000179185707 426764511 /nfs/dbraw/zinc/76/45/11/426764511.db2.gz IILGXMKJISDJOA-UHFFFAOYSA-N -1 3 323.286 2.619 20 0 DFADHM Cc1cccc(-n2cc(C(=O)Nc3c(C)cccc3[O-])nn2)c1 ZINC000179546607 426800084 /nfs/dbraw/zinc/80/00/84/426800084.db2.gz GAQZOMRYUFFDFR-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM Cc1ccn(-c2ccccc2NC(=O)/C=C/c2cncc([O-])c2)n1 ZINC000179544570 426800795 /nfs/dbraw/zinc/80/07/95/426800795.db2.gz NLFVDQRRBNYJFK-VOTSOKGWSA-N -1 3 320.352 2.933 20 0 DFADHM Oc1[n-]c(N[C@H]2CCC[C@H](C(F)(F)F)C2)nc2nncc1-2 ZINC000274640441 426808382 /nfs/dbraw/zinc/80/83/82/426808382.db2.gz FHEVGUMCPPDUII-BQBZGAKWSA-N -1 3 301.272 2.592 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)CCCC(C)(C)C)c1ccco1 ZINC000290650790 426812807 /nfs/dbraw/zinc/81/28/07/426812807.db2.gz DZNIRXNNRFHPFF-GFCCVEGCSA-N -1 3 303.424 2.713 20 0 DFADHM COc1nnc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)[n-]1 ZINC000179702379 426813812 /nfs/dbraw/zinc/81/38/12/426813812.db2.gz UZQDYYCTUCPUFM-NSHDSACASA-N -1 3 318.377 2.651 20 0 DFADHM COc1nc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)n[n-]1 ZINC000179702379 426813816 /nfs/dbraw/zinc/81/38/16/426813816.db2.gz 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CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000282185297 426848324 /nfs/dbraw/zinc/84/83/24/426848324.db2.gz KACYNBRHIWMFFY-VXGBXAGGSA-N -1 3 301.408 2.641 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246621715 426850599 /nfs/dbraw/zinc/85/05/99/426850599.db2.gz XWDSNWDJPZGDOZ-IWIIMEHWSA-N -1 3 300.337 2.986 20 0 DFADHM O=S(=O)([N-][C@H]1CCCSC1)c1cc(F)ccc1Cl ZINC000267232456 426852675 /nfs/dbraw/zinc/85/26/75/426852675.db2.gz WBRKECBBGGYERT-VIFPVBQESA-N -1 3 309.815 2.653 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(NCC2CC2)nc1 ZINC000282227489 426858562 /nfs/dbraw/zinc/85/85/62/426858562.db2.gz TYUJSACAIUZAGO-UHFFFAOYSA-N -1 3 324.344 2.534 20 0 DFADHM O=C([N-]CCc1c[nH]c2cc(F)ccc12)C(F)(F)C(F)F ZINC000267255692 426855288 /nfs/dbraw/zinc/85/52/88/426855288.db2.gz MITAYWQFINYJKI-UHFFFAOYSA-N -1 3 306.234 2.866 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(NCC2CC2)nc1 ZINC000282227489 426858569 /nfs/dbraw/zinc/85/85/69/426858569.db2.gz 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/nfs/dbraw/zinc/91/81/67/426918167.db2.gz BQJYNDNSOIQOLG-NXEZZACHSA-N -1 3 303.362 2.970 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000181144059 426918173 /nfs/dbraw/zinc/91/81/73/426918173.db2.gz BQJYNDNSOIQOLG-NXEZZACHSA-N -1 3 303.362 2.970 20 0 DFADHM CCc1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000291580535 426919678 /nfs/dbraw/zinc/91/96/78/426919678.db2.gz OWFHIECNZOJHHU-LLVKDONJSA-N -1 3 318.339 2.733 20 0 DFADHM C[C@H]1CN(Cc2ccccc2Br)CC[C@H]1C(=O)[O-] ZINC000310703999 426920093 /nfs/dbraw/zinc/92/00/93/426920093.db2.gz BSUUFECVTMAFIZ-CMPLNLGQSA-N -1 3 312.207 2.992 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(O)c3)nc2)n1 ZINC000180418621 426859439 /nfs/dbraw/zinc/85/94/39/426859439.db2.gz CCZDUDUZLIFRBW-UHFFFAOYSA-N -1 3 322.368 2.712 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3CCO[C@H]4CCC[C@@H]43)c[n-]c12 ZINC000275091526 426859585 /nfs/dbraw/zinc/85/95/85/426859585.db2.gz IFLOFOWTHFNOSC-GJZGRUSLSA-N -1 3 312.369 2.642 20 0 DFADHM 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CO[C@@H]1CN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CC[C@H]1C ZINC000189821846 426959963 /nfs/dbraw/zinc/95/99/63/426959963.db2.gz JYJJXYNJYJHHRD-IAQYHMDHSA-N -1 3 314.385 2.746 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(N(C)C(=O)OC)cc1 ZINC000291724722 426964419 /nfs/dbraw/zinc/96/44/19/426964419.db2.gz HRVVRWRGNXUMED-LLVKDONJSA-N -1 3 309.366 2.988 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)cn1 ZINC000337788446 426969570 /nfs/dbraw/zinc/96/95/70/426969570.db2.gz ZDMWWESFYCXOGD-UHFFFAOYSA-N -1 3 319.430 2.561 20 0 DFADHM CCOc1cccc(CCNC(=O)c2ccc([O-])c(OC)c2)c1 ZINC000276034811 426971083 /nfs/dbraw/zinc/97/10/83/426971083.db2.gz UXDKESBWWYTJTG-UHFFFAOYSA-N -1 3 315.369 2.772 20 0 DFADHM [O-]c1cccc(CN2CCC(CN3CCOCC3)CC2)c1Cl ZINC000295476656 426974479 /nfs/dbraw/zinc/97/44/79/426974479.db2.gz WWYSHXAUZRPNAM-UHFFFAOYSA-N -1 3 324.852 2.590 20 0 DFADHM C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000295475788 426974672 /nfs/dbraw/zinc/97/46/72/426974672.db2.gz YKEXLXZIAMYQCQ-CMPLNLGQSA-N -1 3 307.781 2.957 20 0 DFADHM CC[C@H]1CC[C@@H](C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)O1 ZINC000268280125 426975790 /nfs/dbraw/zinc/97/57/90/426975790.db2.gz VIGYGXGHNOLEON-KWQFWETISA-N -1 3 322.315 2.646 20 0 DFADHM CC[C@H]1CC[C@@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)O1 ZINC000268280125 426975795 /nfs/dbraw/zinc/97/57/95/426975795.db2.gz VIGYGXGHNOLEON-KWQFWETISA-N -1 3 322.315 2.646 20 0 DFADHM CC[C@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)O1 ZINC000268280125 426975802 /nfs/dbraw/zinc/97/58/02/426975802.db2.gz VIGYGXGHNOLEON-KWQFWETISA-N -1 3 322.315 2.646 20 0 DFADHM CS[C@@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000295484077 426976875 /nfs/dbraw/zinc/97/68/75/426976875.db2.gz DMYLUMBVSGLMSC-SECBINFHSA-N -1 3 305.321 2.989 20 0 DFADHM Cc1sccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000295485051 426978166 /nfs/dbraw/zinc/97/81/66/426978166.db2.gz XJRARQOSKKGSGO-UHFFFAOYSA-N -1 3 316.426 2.720 20 0 DFADHM O=C(Nc1nc2ccsc2s1)c1c[n-]nc1[C@H]1CCOC1 ZINC000276071579 426978655 /nfs/dbraw/zinc/97/86/55/426978655.db2.gz UPCHSJLQOLFZGN-ZETCQYMHSA-N -1 3 320.399 2.837 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c([O-])c1 ZINC000248129819 426982160 /nfs/dbraw/zinc/98/21/60/426982160.db2.gz YDFFZRPAHQEAJH-LBPRGKRZSA-N -1 3 313.353 2.963 20 0 DFADHM Cc1csc([C@H]2CN(C(=O)c3cc(C)ccc3[O-])CCO2)n1 ZINC000283260301 426986057 /nfs/dbraw/zinc/98/60/57/426986057.db2.gz WAOBXBFFBYGTKN-CQSZACIVSA-N -1 3 318.398 2.679 20 0 DFADHM Cn1cnnc1C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295511573 426989201 /nfs/dbraw/zinc/98/92/01/426989201.db2.gz ZGHLUHFNAKKJLJ-UHFFFAOYSA-N -1 3 306.797 2.554 20 0 DFADHM COc1ccc([C@@H](CO)N(C)Cc2c(F)ccc([O-])c2F)cc1 ZINC000295517921 426990713 /nfs/dbraw/zinc/99/07/13/426990713.db2.gz ZSSVGVWKSHLCIW-OAHLLOKOSA-N -1 3 323.339 2.844 20 0 DFADHM COc1cccc(CC[N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000181220555 426926816 /nfs/dbraw/zinc/92/68/16/426926816.db2.gz BNKRTBXUZRIKHL-UHFFFAOYSA-N -1 3 323.389 2.664 20 0 DFADHM O=c1nc([C@@H]2CCCCN2Cc2cccc(C(F)F)c2)[nH][n-]1 ZINC000295362764 426926828 /nfs/dbraw/zinc/92/68/28/426926828.db2.gz RSOHNAAKGSARBA-LBPRGKRZSA-N -1 3 308.332 2.763 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c1F ZINC000181253337 426927210 /nfs/dbraw/zinc/92/72/10/426927210.db2.gz GGKARGALKLXKBG-GFCCVEGCSA-N -1 3 307.346 2.546 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000291616941 426929024 /nfs/dbraw/zinc/92/90/24/426929024.db2.gz SXTUYOGBMXCJOP-GFCCVEGCSA-N -1 3 305.765 2.638 20 0 DFADHM CC1(C)CN(Cc2cc([O-])ccc2Br)CC[C@H]1O ZINC000275873070 426936588 /nfs/dbraw/zinc/93/65/88/426936588.db2.gz KDOMVNTUHZFJEB-CYBMUJFWSA-N -1 3 314.223 2.748 20 0 DFADHM C[C@@H]1C[C@@H](NCc2cccc([O-])c2Br)[C@H](C)O1 ZINC000315640306 426936580 /nfs/dbraw/zinc/93/65/80/426936580.db2.gz VVTUHFJJYCIXMQ-WCABBAIRSA-N -1 3 300.196 2.810 20 0 DFADHM Cc1nc(C(C)C)ccc1CN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000295396633 426940263 /nfs/dbraw/zinc/94/02/63/426940263.db2.gz 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O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCCC2 ZINC000121132116 271020307 /nfs/dbraw/zinc/02/03/07/271020307.db2.gz XRNGWHYPQPLFQI-UHFFFAOYSA-N -1 3 319.368 2.998 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCCC2 ZINC000121132116 271020311 /nfs/dbraw/zinc/02/03/11/271020311.db2.gz XRNGWHYPQPLFQI-UHFFFAOYSA-N -1 3 319.368 2.998 20 0 DFADHM CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000121127066 271021046 /nfs/dbraw/zinc/02/10/46/271021046.db2.gz IIDXFDMQQJEOQS-UHFFFAOYSA-N -1 3 309.329 2.518 20 0 DFADHM CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000121127066 271021051 /nfs/dbraw/zinc/02/10/51/271021051.db2.gz IIDXFDMQQJEOQS-UHFFFAOYSA-N -1 3 309.329 2.518 20 0 DFADHM Cc1ccccc1-n1nccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000121166524 271023384 /nfs/dbraw/zinc/02/33/84/271023384.db2.gz JJXRBJQWKVYYQE-HNNXBMFYSA-N -1 3 316.361 2.760 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)c3ccccc3F)[n-]c21 ZINC000157773557 271070624 /nfs/dbraw/zinc/07/06/24/271070624.db2.gz TZQRQUCTONRPAO-UHFFFAOYSA-N -1 3 313.288 2.741 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3F)nc21 ZINC000157773557 271070629 /nfs/dbraw/zinc/07/06/29/271070629.db2.gz TZQRQUCTONRPAO-UHFFFAOYSA-N -1 3 313.288 2.741 20 0 DFADHM COc1cccc(C(=O)N(CCc2nccs2)C(C)C)c1[O-] ZINC000163296133 271088602 /nfs/dbraw/zinc/08/86/02/271088602.db2.gz GPVVUGXBBCPUBO-UHFFFAOYSA-N -1 3 320.414 2.951 20 0 DFADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000174073649 271125799 /nfs/dbraw/zinc/12/57/99/271125799.db2.gz XNWMZDALQKQBKC-VIFPVBQESA-N -1 3 309.403 2.775 20 0 DFADHM CCc1cc(C(=O)N(CCCO)Cc2ccccc2)ccc1[O-] ZINC000292296660 427163386 /nfs/dbraw/zinc/16/33/86/427163386.db2.gz VMZVZLRXMBOGJP-UHFFFAOYSA-N -1 3 313.397 2.979 20 0 DFADHM Cc1ccc(CCCSc2nc3n[nH]cc3c(=O)[n-]2)cc1 ZINC000182903359 427166942 /nfs/dbraw/zinc/16/69/42/427166942.db2.gz FJEDDCJVNTXQGQ-UHFFFAOYSA-N -1 3 300.387 2.680 20 0 DFADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c1 ZINC000174959790 271142844 /nfs/dbraw/zinc/14/28/44/271142844.db2.gz LWNOWFYFUZRUOJ-ZDUSSCGKSA-N -1 3 307.419 2.579 20 0 DFADHM CCNc1ncc(C(=O)[N-]c2ncn(C3CCCCC3)n2)s1 ZINC000182886473 427164148 /nfs/dbraw/zinc/16/41/48/427164148.db2.gz VKPRWZIKZPKPTQ-UHFFFAOYSA-N -1 3 320.422 2.924 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1ccccc1F ZINC000296378341 427164281 /nfs/dbraw/zinc/16/42/81/427164281.db2.gz XXKWAJJFDCOXMM-SNVBAGLBSA-N -1 3 307.337 2.930 20 0 DFADHM O=C(c1ccccc1[O-])N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000175281849 271151620 /nfs/dbraw/zinc/15/16/20/271151620.db2.gz NYBXEOMTJLMMRO-MRXNPFEDSA-N -1 3 311.381 2.866 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccnc2)c(F)cc1F ZINC000175780194 271158890 /nfs/dbraw/zinc/15/88/90/271158890.db2.gz SHEZOAANBJCEHI-SNVBAGLBSA-N -1 3 312.341 2.708 20 0 DFADHM Cc1cc(C)cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000177747251 271184974 /nfs/dbraw/zinc/18/49/74/271184974.db2.gz DMQZYMSIHYVYEY-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM O=C(NCCc1ccccc1OC(F)F)c1c([O-])cccc1O ZINC000188435913 271201798 /nfs/dbraw/zinc/20/17/98/271201798.db2.gz IOFRIKYPSNLONW-UHFFFAOYSA-N -1 3 323.295 2.672 20 0 DFADHM C[C@@H](O)CC(C)(C)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000182932867 427167885 /nfs/dbraw/zinc/16/78/85/427167885.db2.gz KKJSYEMXPIUQPG-GFCCVEGCSA-N -1 3 305.418 2.798 20 0 DFADHM Cc1nccn1C[C@@H](C)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000195095327 271231439 /nfs/dbraw/zinc/23/14/39/271231439.db2.gz WDVRORRSAWYJDS-JTQLQIEISA-N -1 3 307.781 2.617 20 0 DFADHM Cc1cccc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000242976847 271258291 /nfs/dbraw/zinc/25/82/91/271258291.db2.gz HQGNTYTWXQUYNC-UHFFFAOYSA-N -1 3 318.398 2.548 20 0 DFADHM O=C(NC[C@@H](O)C1CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000268550951 271287099 /nfs/dbraw/zinc/28/70/99/271287099.db2.gz MNOXBXWXPFKHNA-QGZVFWFLSA-N -1 3 314.385 2.611 20 0 DFADHM CO[C@@H](C[N-]C(=O)C(F)(F)c1c(F)cccc1F)C(C)C ZINC000270474707 271294963 /nfs/dbraw/zinc/29/49/63/271294963.db2.gz VSSOGJOFXKGWDN-NSHDSACASA-N -1 3 307.287 2.844 20 0 DFADHM O=c1[n-]nc(C2CCN(Cc3cccc4ccccc43)CC2)o1 ZINC000284284772 427171936 /nfs/dbraw/zinc/17/19/36/427171936.db2.gz NNLLWXIIHLYUEA-UHFFFAOYSA-N -1 3 309.369 2.896 20 0 DFADHM COc1cc(C(=O)NCC(C)(C)C2CCC2)cc(OC)c1[O-] ZINC000296412248 427172408 /nfs/dbraw/zinc/17/24/08/427172408.db2.gz KONIFSMHQFXKRA-UHFFFAOYSA-N -1 3 307.390 2.966 20 0 DFADHM COC(=O)c1sc([N-]c2cn(C)nc2C2CC2)nc1Cl ZINC000292320280 427172968 /nfs/dbraw/zinc/17/29/68/427172968.db2.gz MIYMDZWXLRIDMT-UHFFFAOYSA-N -1 3 312.782 2.938 20 0 DFADHM CCc1ccc(C(=O)N2CCOC[C@@H](C3CCC3)C2)c([O-])c1 ZINC000293942136 271349814 /nfs/dbraw/zinc/34/98/14/271349814.db2.gz RMBDIEKECJHNJX-HNNXBMFYSA-N -1 3 303.402 2.843 20 0 DFADHM C[C@@](O)(CCc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000338176588 427171006 /nfs/dbraw/zinc/17/10/06/427171006.db2.gz VKGSELMZEFZLPW-QGZVFWFLSA-N -1 3 303.333 2.854 20 0 DFADHM Cc1cccc(C(=O)NCc2ccc(OCC3CC3)nc2)c1[O-] ZINC000303102332 271364288 /nfs/dbraw/zinc/36/42/88/271364288.db2.gz LPVFGNJHKJMSGD-UHFFFAOYSA-N -1 3 312.369 2.814 20 0 DFADHM C[C@@H]1C[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)C[C@H](C)O1 ZINC000253556643 427216356 /nfs/dbraw/zinc/21/63/56/427216356.db2.gz OKGUMLOJQUJNCZ-ZSBIGDGJSA-N -1 3 300.358 2.626 20 0 DFADHM CCC[C@](C)(O)CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000269355593 427176754 /nfs/dbraw/zinc/17/67/54/427176754.db2.gz SMCZJVSFORCEBI-KRWDZBQOSA-N -1 3 320.364 2.669 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@@H]1C(F)F ZINC000338184831 427177864 /nfs/dbraw/zinc/17/78/64/427177864.db2.gz VOERQVFVUVUSAE-BQBZGAKWSA-N -1 3 306.106 2.994 20 0 DFADHM O=C(c1cccc([O-])c1)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000182980225 427179233 /nfs/dbraw/zinc/17/92/33/427179233.db2.gz ZMMVQKNSIBIRBO-GOSISDBHSA-N -1 3 311.381 2.806 20 0 DFADHM Cc1ccccc1-c1cc([N-]S(=O)(=O)N2CCC[C@H]2C)n[nH]1 ZINC000329931546 427182455 /nfs/dbraw/zinc/18/24/55/427182455.db2.gz IIIHHEPYOFFGLL-GFCCVEGCSA-N -1 3 320.418 2.526 20 0 DFADHM Cc1cccc([O-])c1NC(=O)CCNC(=O)c1cccs1 ZINC000183032604 427183906 /nfs/dbraw/zinc/18/39/06/427183906.db2.gz PZGWRAXQLIEHCV-UHFFFAOYSA-N -1 3 304.371 2.521 20 0 DFADHM CCCC(=O)N[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000284337002 427184104 /nfs/dbraw/zinc/18/41/04/427184104.db2.gz XPEWBIKVOHFHIX-NSHDSACASA-N -1 3 312.360 2.551 20 0 DFADHM CC[C@@H]1OCCC[C@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000277402728 427190265 /nfs/dbraw/zinc/19/02/65/427190265.db2.gz YPBGEDCPCUYJJX-MNOVXSKESA-N -1 3 304.350 2.517 20 0 DFADHM CC[C@@H]1OCCC[C@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000277402728 427190272 /nfs/dbraw/zinc/19/02/72/427190272.db2.gz YPBGEDCPCUYJJX-MNOVXSKESA-N -1 3 304.350 2.517 20 0 DFADHM CC[C@@H]1OCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000277402728 427190281 /nfs/dbraw/zinc/19/02/81/427190281.db2.gz YPBGEDCPCUYJJX-MNOVXSKESA-N -1 3 304.350 2.517 20 0 DFADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 ZINC000292516736 427190693 /nfs/dbraw/zinc/19/06/93/427190693.db2.gz DNYZNLZLXVINKZ-VXGBXAGGSA-N -1 3 323.393 2.759 20 0 DFADHM Cc1nc([C@H](C)NCCCNC(=O)c2cccc([O-])c2)cs1 ZINC000269436592 427194350 /nfs/dbraw/zinc/19/43/50/427194350.db2.gz RCPOWDIRUYUABU-NSHDSACASA-N -1 3 319.430 2.628 20 0 DFADHM CCC[C@H](N)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000183080874 427197059 /nfs/dbraw/zinc/19/70/59/427197059.db2.gz YHLQGAMVGOPMOI-VIFPVBQESA-N -1 3 301.184 2.529 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2ccccc2Oc2cnn(C)c2)n1 ZINC000338216409 427197501 /nfs/dbraw/zinc/19/75/01/427197501.db2.gz ZGYMYIMWFYFZKO-UHFFFAOYSA-N -1 3 324.340 2.874 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@@]2(CCOC2)C1 ZINC000183115275 427201715 /nfs/dbraw/zinc/20/17/15/427201715.db2.gz BKUKYFRIJVQNRT-GOSISDBHSA-N -1 3 301.386 2.524 20 0 DFADHM O=C([N-]c1ccnc2ccncc12)c1nc2cccnc2s1 ZINC000338228619 427202482 /nfs/dbraw/zinc/20/24/82/427202482.db2.gz JYJANWYWFMTBSL-UHFFFAOYSA-N -1 3 307.338 2.887 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-]CC(C)(C)C2CCCC2)c1 ZINC000338230034 427203225 /nfs/dbraw/zinc/20/32/25/427203225.db2.gz KUPUHJBKKDSFTF-UHFFFAOYSA-N -1 3 313.467 2.959 20 0 DFADHM COC(=O)[C@@H](CC(C)C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000284984514 427205446 /nfs/dbraw/zinc/20/54/46/427205446.db2.gz BFHZNCWFLJLHJT-LLVKDONJSA-N -1 3 306.391 2.547 20 0 DFADHM COc1cc(C(=O)NCC(C)(C)c2ccccn2)ccc1[O-] ZINC000296508472 427205533 /nfs/dbraw/zinc/20/55/33/427205533.db2.gz UPHJNGDKEJQTTB-UHFFFAOYSA-N -1 3 300.358 2.503 20 0 DFADHM CCc1nnc([N-]c2cc(C)n([C@@H](C)C3CC3)n2)nc1CC ZINC000330224592 427205741 /nfs/dbraw/zinc/20/57/41/427205741.db2.gz AUCXQVZTTFYKQW-NSHDSACASA-N -1 3 300.410 3.216 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2Cc3cnn(-c4ccccc4)c3C2)n1 ZINC000292979987 427210329 /nfs/dbraw/zinc/21/03/29/427210329.db2.gz BFGVODJQPFEBKC-ZDUSSCGKSA-N -1 3 321.384 2.753 20 0 DFADHM CCc1cc2c(CN[C@H](C)[C@H]3CCCO3)cc(=O)oc2cc1[O-] ZINC000183140474 427210556 /nfs/dbraw/zinc/21/05/56/427210556.db2.gz DCGJTDVNBAVEKH-BDJLRTHQSA-N -1 3 317.385 2.718 20 0 DFADHM C[C@@H]1C[C@H](C)N(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000330257584 427211636 /nfs/dbraw/zinc/21/16/36/427211636.db2.gz LQRDRRWKVTUJET-VGTOOOLASA-N -1 3 315.373 2.656 20 0 DFADHM COc1cc(C(=O)Nc2ccc(F)cc2OC)cc(OC)c1[O-] ZINC000338248691 427213193 /nfs/dbraw/zinc/21/31/93/427213193.db2.gz BPAQKTQOWZTYOE-UHFFFAOYSA-N -1 3 321.304 2.809 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000183507535 427285058 /nfs/dbraw/zinc/28/50/58/427285058.db2.gz UXTYHCRLXKGSRU-VHSXEESVSA-N -1 3 316.398 2.818 20 0 DFADHM COc1cc(C(=O)N[C@@H](C)c2csc(C)n2)cc(OC)c1[O-] ZINC000338262468 427222406 /nfs/dbraw/zinc/22/24/06/427222406.db2.gz HRLSVSQBBYCBAB-QMMMGPOBSA-N -1 3 322.386 2.665 20 0 DFADHM COC(=O)C1(NC(=O)c2cc([O-])ccc2Cl)CCCCC1 ZINC000277502971 427224855 /nfs/dbraw/zinc/22/48/55/427224855.db2.gz SAIBFLFOPGEGCX-UHFFFAOYSA-N -1 3 311.765 2.651 20 0 DFADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccccc1OC(C)C ZINC000296583367 427227600 /nfs/dbraw/zinc/22/76/00/427227600.db2.gz IIRHKOJOPBOSAZ-UHFFFAOYSA-N -1 3 324.377 2.869 20 0 DFADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccccc1OC(C)C ZINC000296583367 427227604 /nfs/dbraw/zinc/22/76/04/427227604.db2.gz IIRHKOJOPBOSAZ-UHFFFAOYSA-N -1 3 324.377 2.869 20 0 DFADHM Cc1cc(C)nc(SCC(=O)Nc2ccc([O-])cc2F)n1 ZINC000183238363 427228959 /nfs/dbraw/zinc/22/89/59/427228959.db2.gz XAVDHADOYWXXTO-UHFFFAOYSA-N -1 3 307.350 2.669 20 0 DFADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(Br)c1 ZINC000191032691 427234742 /nfs/dbraw/zinc/23/47/42/427234742.db2.gz QWBWFVJRNVSGAN-VIFPVBQESA-N -1 3 315.167 2.539 20 0 DFADHM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000183254300 427236790 /nfs/dbraw/zinc/23/67/90/427236790.db2.gz UTMJGZXLSHLKJB-JTQLQIEISA-N -1 3 324.352 2.727 20 0 DFADHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 ZINC000330439534 427238516 /nfs/dbraw/zinc/23/85/16/427238516.db2.gz TTWLSCWDODKXSK-LBPRGKRZSA-N -1 3 323.418 2.651 20 0 DFADHM Cc1cc(NC([O-])=NOCC2CC2)nn1-c1ccc(C)cc1 ZINC000296798889 427239193 /nfs/dbraw/zinc/23/91/93/427239193.db2.gz IAKPIWKPNFWZMD-UHFFFAOYSA-N -1 3 300.362 2.952 20 0 DFADHM Cc1cc(NC(=O)[N-]OCC2CC2)nn1-c1ccc(C)cc1 ZINC000296798889 427239200 /nfs/dbraw/zinc/23/92/00/427239200.db2.gz IAKPIWKPNFWZMD-UHFFFAOYSA-N -1 3 300.362 2.952 20 0 DFADHM CC(C)C[C@H](C(=O)Nc1ccc([O-])cc1F)N1CCCCC1=O ZINC000183278500 427240638 /nfs/dbraw/zinc/24/06/38/427240638.db2.gz VKKKHWODGIHLPU-OAHLLOKOSA-N -1 3 322.380 2.897 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CCCN(C)Cc2ccco2)n1 ZINC000285472653 427241973 /nfs/dbraw/zinc/24/19/73/427241973.db2.gz AZIYGPZJJFKZJL-AWEZNQCLSA-N -1 3 318.421 2.599 20 0 DFADHM Cn1cc(C(=O)Nc2ncccc2[O-])c(C2CCCCC2)n1 ZINC000269663164 427244720 /nfs/dbraw/zinc/24/47/20/427244720.db2.gz UQHHOUFTNDZBLZ-UHFFFAOYSA-N -1 3 300.362 2.821 20 0 DFADHM O=S(=O)([N-][C@H]1CCCOCC1)c1ccccc1C(F)(F)F ZINC000183379025 427257350 /nfs/dbraw/zinc/25/73/50/427257350.db2.gz KUNOVGYKAIOPRI-JTQLQIEISA-N -1 3 323.336 2.553 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)NCCCc1cccc(F)c1 ZINC000255419790 427269648 /nfs/dbraw/zinc/26/96/48/427269648.db2.gz YUFMLWHCVUXAGN-SREVYHEPSA-N -1 3 300.333 2.689 20 0 DFADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)CC2CCCC2)[n-]1 ZINC000183440503 427270296 /nfs/dbraw/zinc/27/02/96/427270296.db2.gz LPIMANQZJWXYKL-HXUWFJFHSA-N -1 3 308.325 2.640 20 0 DFADHM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000296907730 427271538 /nfs/dbraw/zinc/27/15/38/427271538.db2.gz MGOQKCCXGKTQDB-DTWKUNHWSA-N -1 3 303.280 2.901 20 0 DFADHM CCO[C@@H]1C[C@](CO)(NCc2cccc([O-])c2Cl)C1(C)C ZINC000293278186 427271651 /nfs/dbraw/zinc/27/16/51/427271651.db2.gz NZNGNWUQICKCDH-CZUORRHYSA-N -1 3 313.825 2.701 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c(F)c1 ZINC000269770602 427273554 /nfs/dbraw/zinc/27/35/54/427273554.db2.gz MLUGALGXRFEIOT-OAHLLOKOSA-N -1 3 323.389 2.536 20 0 DFADHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000277667080 427278665 /nfs/dbraw/zinc/27/86/65/427278665.db2.gz FYSRCORNVBIWNT-KWQFWETISA-N -1 3 324.229 2.697 20 0 DFADHM CSc1ccc(NC([O-])=NOC(C)(C)CO)cc1Cl ZINC000296924499 427279968 /nfs/dbraw/zinc/27/99/68/427279968.db2.gz OKIDGGCIWRQGKU-UHFFFAOYSA-N -1 3 304.799 2.886 20 0 DFADHM CSc1ccc(NC(=O)[N-]OC(C)(C)CO)cc1Cl ZINC000296924499 427279971 /nfs/dbraw/zinc/27/99/71/427279971.db2.gz OKIDGGCIWRQGKU-UHFFFAOYSA-N -1 3 304.799 2.886 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2OC)c([O-])c1 ZINC000293312131 427283575 /nfs/dbraw/zinc/28/35/75/427283575.db2.gz FDYTVLREVCVDFS-DOMZBBRYSA-N -1 3 321.373 2.713 20 0 DFADHM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1[O-] ZINC000285656544 427301178 /nfs/dbraw/zinc/30/11/78/427301178.db2.gz CTYFLILGTOQLPJ-VIFPVBQESA-N -1 3 312.341 2.631 20 0 DFADHM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000270422720 427352354 /nfs/dbraw/zinc/35/23/54/427352354.db2.gz LQYRKDUFXWXRNV-CYBMUJFWSA-N -1 3 322.386 2.571 20 0 DFADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cnc(C)s2)cs1 ZINC000269925894 427307905 /nfs/dbraw/zinc/30/79/05/427307905.db2.gz BXQFGVSXUJNHFV-SSDOTTSWSA-N -1 3 317.461 2.510 20 0 DFADHM CCOC(=O)COc1ccc(NC(=O)[N-]OC[C@H](C)CC)cc1 ZINC000297023128 427308207 /nfs/dbraw/zinc/30/82/07/427308207.db2.gz ALEQRARGODUEOD-GFCCVEGCSA-N -1 3 324.377 2.728 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183672247 427317456 /nfs/dbraw/zinc/31/74/56/427317456.db2.gz VKZXYVPFARQAQC-CQSZACIVSA-N -1 3 317.316 2.530 20 0 DFADHM Cn1nccc1N1CCC[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000293417196 427318621 /nfs/dbraw/zinc/31/86/21/427318621.db2.gz ZNPQWGNMRXIQHU-CYBMUJFWSA-N -1 3 320.824 2.538 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)c([O-])c1 ZINC000297085295 427323688 /nfs/dbraw/zinc/32/36/88/427323688.db2.gz QTFVGCYTOLLPGE-YOEHRIQHSA-N -1 3 312.369 2.746 20 0 DFADHM C[C@@]1(c2nc(-c3ccc([O-])c4ccccc34)no2)CCC(=O)NC1 ZINC000293436298 427324326 /nfs/dbraw/zinc/32/43/26/427324326.db2.gz OEYBRLUDVDZANV-GOSISDBHSA-N -1 3 323.352 2.763 20 0 DFADHM CCOc1cc(-c2noc(C[C@@H]3CCCCO3)n2)ccc1[O-] ZINC000277813234 427325972 /nfs/dbraw/zinc/32/59/72/427325972.db2.gz GUOCLPDAQGFIKI-LBPRGKRZSA-N -1 3 304.346 2.953 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000270345584 427329733 /nfs/dbraw/zinc/32/97/33/427329733.db2.gz OKNDHZLNMNPIAI-SECBINFHSA-N -1 3 305.765 2.821 20 0 DFADHM CCn1cnnc1[N-]C(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC000285769693 427335379 /nfs/dbraw/zinc/33/53/79/427335379.db2.gz LCCKNCMTKNTFSO-UHFFFAOYSA-N -1 3 308.769 2.748 20 0 DFADHM CCC[C@]1([N-]C(=O)C(F)(F)c2ccccc2F)CCOC1 ZINC000285808035 427343895 /nfs/dbraw/zinc/34/38/95/427343895.db2.gz UUHTXOWLHONNQI-AWEZNQCLSA-N -1 3 301.308 2.993 20 0 DFADHM CC[C@H](C(=O)[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000191422901 427345116 /nfs/dbraw/zinc/34/51/16/427345116.db2.gz SVDKUDPCHMPFGU-OLZOCXBDSA-N -1 3 317.307 2.942 20 0 DFADHM O=S(=O)(CC1CCC1)[N-]Cc1cc(-c2ccccc2)no1 ZINC000270410745 427348114 /nfs/dbraw/zinc/34/81/14/427348114.db2.gz ZVQHQUHZCCYDEY-UHFFFAOYSA-N -1 3 306.387 2.561 20 0 DFADHM CCN(Cc1ccccc1)C(=O)C[N-]c1noc(C(C)(C)C)n1 ZINC000183825926 427349050 /nfs/dbraw/zinc/34/90/50/427349050.db2.gz QLNFMJAIGUAFTL-UHFFFAOYSA-N -1 3 316.405 2.828 20 0 DFADHM 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427479512 /nfs/dbraw/zinc/47/95/12/427479512.db2.gz OGKPSKFCNMVTTK-RKDXNWHRSA-N -1 3 305.271 2.740 20 0 DFADHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000184528198 427481285 /nfs/dbraw/zinc/48/12/85/427481285.db2.gz YYKQRNWLDOQQQQ-DTWKUNHWSA-N -1 3 320.315 2.747 20 0 DFADHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000184528198 427481290 /nfs/dbraw/zinc/48/12/90/427481290.db2.gz YYKQRNWLDOQQQQ-DTWKUNHWSA-N -1 3 320.315 2.747 20 0 DFADHM CCOc1cc(CN2CCC[C@H]2C(=O)OC)cc(Cl)c1[O-] ZINC000297901124 427481558 /nfs/dbraw/zinc/48/15/58/427481558.db2.gz RPNVOOQBPUIMOY-LBPRGKRZSA-N -1 3 313.781 2.582 20 0 DFADHM CCC1CCC(N(C)C(=O)Cc2c(C)nc(C)[n-]c2=O)CC1 ZINC000340684216 271747679 /nfs/dbraw/zinc/74/76/79/271747679.db2.gz YVUJAHSAKIMHGS-UHFFFAOYSA-N -1 3 305.422 2.769 20 0 DFADHM O=C(CCC(=O)[N-]OCC1CC1)CCC(=O)c1cccs1 ZINC000293759718 427425470 /nfs/dbraw/zinc/42/54/70/427425470.db2.gz LOAUKVBAWDOYOO-UHFFFAOYSA-N -1 3 309.387 2.518 20 0 DFADHM 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ZINC000370070517 428125223 /nfs/dbraw/zinc/12/52/23/428125223.db2.gz AXVNDXZMEIQIDP-LLVKDONJSA-N -1 3 320.418 2.646 20 0 DFADHM CCOc1cc(-c2noc([C@@H](C)c3ccnn3C)n2)ccc1[O-] ZINC000351323692 428065873 /nfs/dbraw/zinc/06/58/73/428065873.db2.gz IKCRXBUMYDALJL-JTQLQIEISA-N -1 3 314.345 2.726 20 0 DFADHM Cc1cc(C(=O)[N-]c2nnc3n(C)[nH]c(-c4ccccc4)c2-3)on1 ZINC000360044333 428131917 /nfs/dbraw/zinc/13/19/17/428131917.db2.gz KAXYSMVBEHUMOY-UHFFFAOYSA-N -1 3 322.328 2.512 20 0 DFADHM CSc1ccc(C(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)c([O-])c1 ZINC000370121185 428138888 /nfs/dbraw/zinc/13/88/88/428138888.db2.gz LBKVSTWSIIUCSR-ZBFHGGJFSA-N -1 3 307.415 2.802 20 0 DFADHM CCN(Cc1ccccc1C)C(=O)c1c[n-]c2ccncc2c1=O ZINC000341660722 428144520 /nfs/dbraw/zinc/14/45/20/428144520.db2.gz SFXIVFQSDZGLCP-UHFFFAOYSA-N -1 3 321.380 2.894 20 0 DFADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1 ZINC000341663086 428144987 /nfs/dbraw/zinc/14/49/87/428144987.db2.gz WHLMCNWQVFOTDL-LBPRGKRZSA-N -1 3 321.320 2.508 20 0 DFADHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2c(C)cccc2F)C1(C)C ZINC000356366170 428145539 /nfs/dbraw/zinc/14/55/39/428145539.db2.gz LBCMKCSKXOCQCQ-WFASDCNBSA-N -1 3 315.410 2.616 20 0 DFADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000341667462 428147246 /nfs/dbraw/zinc/14/72/46/428147246.db2.gz SFEVFJIVHMBIOJ-ZETCQYMHSA-N -1 3 301.717 2.878 20 0 DFADHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)C(C)C ZINC000360076440 428148406 /nfs/dbraw/zinc/14/84/06/428148406.db2.gz UBNZIBHKCJOEEQ-AWEZNQCLSA-N -1 3 323.393 2.600 20 0 DFADHM CC(C)N(CCN(C)Cc1nc(=O)c2sccc2[n-]1)C(C)C ZINC000356390287 428158314 /nfs/dbraw/zinc/15/83/14/428158314.db2.gz IYJFHSTYXDFPNZ-UHFFFAOYSA-N -1 3 322.478 2.948 20 0 DFADHM CC(F)(F)c1ccc(CNC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000352571995 428155348 /nfs/dbraw/zinc/15/53/48/428155348.db2.gz BGVONPJQXNZJMJ-UHFFFAOYSA-N -1 3 316.311 3.000 20 0 DFADHM O=C([N-]c1ncn(-c2cccnc2)n1)c1cc(Cl)ccc1F ZINC000370324901 428184549 /nfs/dbraw/zinc/18/45/49/428184549.db2.gz 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/nfs/dbraw/zinc/21/66/07/428216607.db2.gz RFCTYDWLLCNUGQ-UHFFFAOYSA-N -1 3 315.341 2.967 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)[C@H]1CCCCO1 ZINC000346564507 428220882 /nfs/dbraw/zinc/22/08/82/428220882.db2.gz IRPZXCADBRBSKD-NOZJJQNGSA-N -1 3 321.801 2.715 20 0 DFADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CCCCO1 ZINC000346567813 428223120 /nfs/dbraw/zinc/22/31/20/428223120.db2.gz KLSICSQZMSHVPK-BLLLJJGKSA-N -1 3 309.381 2.928 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C[C@@H]2CCC(=O)[C@@H]2C)c([O-])c1 ZINC000356538641 428224679 /nfs/dbraw/zinc/22/46/79/428224679.db2.gz GYYYYMUUIDOFEN-MNOVXSKESA-N -1 3 319.357 2.513 20 0 DFADHM O=S(=O)([N-]CCCCF)c1ccc(F)cc1C(F)(F)F ZINC000360262799 428228758 /nfs/dbraw/zinc/22/87/58/428228758.db2.gz VANRHRJUUDBTCZ-UHFFFAOYSA-N -1 3 317.279 2.873 20 0 DFADHM CC(C)(C)[C@@H](CCO)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346586601 428229830 /nfs/dbraw/zinc/22/98/30/428229830.db2.gz GMORHPHSIXYQRQ-OAHLLOKOSA-N -1 3 311.397 2.767 20 0 DFADHM FC1(c2cccc(Cl)c2)CC(N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000360286208 428236164 /nfs/dbraw/zinc/23/61/64/428236164.db2.gz PEKKAVHDZGLUGF-UHFFFAOYSA-N -1 3 317.755 2.819 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346613782 428239325 /nfs/dbraw/zinc/23/93/25/428239325.db2.gz NLUJNLXRJCDMSG-CZUORRHYSA-N -1 3 309.381 2.785 20 0 DFADHM O=C(c1cnn(-c2cccnc2)c1)N1CCCc2cccc([O-])c21 ZINC000352666617 428191143 /nfs/dbraw/zinc/19/11/43/428191143.db2.gz XHXLFELQSLPEBS-UHFFFAOYSA-N -1 3 320.352 2.566 20 0 DFADHM C[C@H]1[C@@H](CO)CCCN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000414044691 428191554 /nfs/dbraw/zinc/19/15/54/428191554.db2.gz VJSLSKSZTZLLHM-VHSXEESVSA-N -1 3 317.307 2.644 20 0 DFADHM COc1nc(NC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)n[n-]1 ZINC000352686591 428204422 /nfs/dbraw/zinc/20/44/22/428204422.db2.gz OKPWXASDGWEZJN-LLVKDONJSA-N -1 3 318.377 2.651 20 0 DFADHM COc1nnc(NC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)[n-]1 ZINC000352686591 428204425 /nfs/dbraw/zinc/20/44/25/428204425.db2.gz OKPWXASDGWEZJN-LLVKDONJSA-N -1 3 318.377 2.651 20 0 DFADHM COc1n[n-]c(NC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)n1 ZINC000352686591 428204428 /nfs/dbraw/zinc/20/44/28/428204428.db2.gz OKPWXASDGWEZJN-LLVKDONJSA-N -1 3 318.377 2.651 20 0 DFADHM COc1cc(C(=O)N2Cc3ccccc3O[C@@H](C)C2)ccc1[O-] ZINC000346676080 428269006 /nfs/dbraw/zinc/26/90/06/428269006.db2.gz PLIDIXUIIMXAAR-LBPRGKRZSA-N -1 3 313.353 2.824 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(C(C)C)c1 ZINC000356708532 428279887 /nfs/dbraw/zinc/27/98/87/428279887.db2.gz HFKRZFSLUTUBKI-UHFFFAOYSA-N -1 3 308.403 2.893 20 0 DFADHM CN1Cc2ccccc2[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000370730308 428285864 /nfs/dbraw/zinc/28/58/64/428285864.db2.gz MXWBRTYTJIUKER-INIZCTEOSA-N -1 3 316.788 2.962 20 0 DFADHM CC(=O)NC1CCC(N(C)Cc2cccc([O-])c2Cl)CC1 ZINC000352873321 428289136 /nfs/dbraw/zinc/28/91/36/428289136.db2.gz GDLCDGKYKPBSTM-UHFFFAOYSA-N -1 3 310.825 2.925 20 0 DFADHM CC(C)c1ccc(C(=O)N2CC[C@](CO)(C(C)C)C2)c([O-])c1 ZINC000378029914 428289991 /nfs/dbraw/zinc/28/99/91/428289991.db2.gz XJRGCFSXLSAAPK-SFHVURJKSA-N -1 3 305.418 2.996 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC2(CCOCC2)C1 ZINC000377905771 428258081 /nfs/dbraw/zinc/25/80/81/428258081.db2.gz RWZSQMINGGVVFA-UHFFFAOYSA-N -1 3 322.380 2.634 20 0 DFADHM CCc1nc([C@@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)no1 ZINC000377907499 428258116 /nfs/dbraw/zinc/25/81/16/428258116.db2.gz IRKDWXCZCDAWRQ-LBPRGKRZSA-N -1 3 321.764 2.968 20 0 DFADHM Cc1nc2n(c1C)CCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC000377919131 428261488 /nfs/dbraw/zinc/26/14/88/428261488.db2.gz ZMKTZSMWOIQMLG-UHFFFAOYSA-N -1 3 305.765 2.515 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@H](C)[C@H](C)C2CCCCC2)c1 ZINC000360461244 428307547 /nfs/dbraw/zinc/30/75/47/428307547.db2.gz TXGRRCBEOKDFAR-QWHCGFSZSA-N -1 3 313.467 2.786 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C(C)C)C(F)(F)F)ccc1F ZINC000414480121 428312242 /nfs/dbraw/zinc/31/22/42/428312242.db2.gz TUDOQKUBPNANGL-LLVKDONJSA-N -1 3 313.316 2.999 20 0 DFADHM Cc1ccc([O-])c(CN([C@@H](C)C(=O)OC(C)(C)C)C2CC2)n1 ZINC000414483921 428314944 /nfs/dbraw/zinc/31/49/44/428314944.db2.gz GCEAENKCGHKDQC-LBPRGKRZSA-N -1 3 306.406 2.790 20 0 DFADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000360485377 428317802 /nfs/dbraw/zinc/31/78/02/428317802.db2.gz CBXFWOLPRICELW-BDAKNGLRSA-N -1 3 321.240 2.557 20 0 DFADHM Cc1ncc(CN[C@@H](C)c2ccc(F)cc2N(C)C)c(=O)[n-]1 ZINC000346799996 428321504 /nfs/dbraw/zinc/32/15/04/428321504.db2.gz QGLHHMCNXCFYPV-JTQLQIEISA-N -1 3 304.369 2.547 20 0 DFADHM C[C@H]1CC(c2noc(-c3cc(=O)[n-]c(N(C)C)n3)n2)C[C@H](C)C1 ZINC000346799830 428322059 /nfs/dbraw/zinc/32/20/59/428322059.db2.gz OPKZOLADFMXDDP-NXEZZACHSA-N -1 3 317.393 2.838 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2cccc3c2OCC(=O)N3)c1 ZINC000356819839 428322536 /nfs/dbraw/zinc/32/25/36/428322536.db2.gz WLUVVMIWJYJXKH-UHFFFAOYSA-N -1 3 312.325 2.538 20 0 DFADHM C[C@H]1Oc2c(cccc2F)[C@@H]1[N-]S(=O)(=O)c1ccccc1 ZINC000378165146 428323514 /nfs/dbraw/zinc/32/35/14/428323514.db2.gz WWSRZQPUSORYDJ-QMTHXVAHSA-N -1 3 307.346 2.626 20 0 DFADHM C[C@@H]1Oc2c(cccc2F)[C@@H]1[N-]S(=O)(=O)c1ccccc1 ZINC000378165145 428324204 /nfs/dbraw/zinc/32/42/04/428324204.db2.gz WWSRZQPUSORYDJ-IINYFYTJSA-N -1 3 307.346 2.626 20 0 DFADHM Cc1ccccc1OCCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000352946894 428324796 /nfs/dbraw/zinc/32/47/96/428324796.db2.gz PTWCFQMDBVGOFH-UHFFFAOYSA-N -1 3 322.368 2.589 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]CCCc2ccccc2)s1 ZINC000360510098 428326492 /nfs/dbraw/zinc/32/64/92/428326492.db2.gz FVCKPGIYBVRKDO-UHFFFAOYSA-N -1 3 310.444 2.671 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)s1 ZINC000360516729 428328567 /nfs/dbraw/zinc/32/85/67/428328567.db2.gz VJFJXNYZQJTPDG-UHFFFAOYSA-N -1 3 316.835 2.892 20 0 DFADHM CCC1(CC)[C@H](NC(=O)c2ccc3n[n-]nc3c2)[C@H](C)[C@H]1OC ZINC000356837983 428332580 /nfs/dbraw/zinc/33/25/80/428332580.db2.gz CGLWJOUEFRXZGR-COLVAYQJSA-N -1 3 316.405 2.527 20 0 DFADHM Cn1c(=O)[nH]c2ccc(NC(=O)c3cc([O-])ccc3Cl)cc21 ZINC000352973341 428333703 /nfs/dbraw/zinc/33/37/03/428333703.db2.gz ANPROIZFZIFRAP-UHFFFAOYSA-N -1 3 317.732 2.890 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCCCC[C@H]1O ZINC000360534358 428336336 /nfs/dbraw/zinc/33/63/36/428336336.db2.gz YVVRJRICGCXPJK-GDBMZVCRSA-N -1 3 309.381 2.664 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCN1Cc1ccccn1 ZINC000378293194 428356000 /nfs/dbraw/zinc/35/60/00/428356000.db2.gz NYLDAPVWZPZNEA-HNNXBMFYSA-N -1 3 315.348 2.529 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCN1Cc1ccccn1 ZINC000378293195 428356036 /nfs/dbraw/zinc/35/60/36/428356036.db2.gz NYLDAPVWZPZNEA-OAHLLOKOSA-N -1 3 315.348 2.529 20 0 DFADHM O=C1CCc2ccc(-c3nc4cc(F)c(F)cc4c(=O)[n-]3)cc21 ZINC000356887325 428349279 /nfs/dbraw/zinc/34/92/79/428349279.db2.gz SVQJBHCKFRMBMJ-UHFFFAOYSA-N -1 3 312.275 2.997 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccn2)c([O-])c1 ZINC000378279071 428353079 /nfs/dbraw/zinc/35/30/79/428353079.db2.gz GLHPKTWQFNXUHA-MRXNPFEDSA-N -1 3 311.385 2.699 20 0 DFADHM 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CCCc1ncc(C[N-]S(=O)(=O)c2cc(C)ccc2F)o1 ZINC000451961397 429028807 /nfs/dbraw/zinc/02/88/07/429028807.db2.gz SGKMFHCXGJPULP-UHFFFAOYSA-N -1 3 312.366 2.553 20 0 DFADHM O=C(Cc1ccc2c[nH]nc2c1)N1CCCc2cccc([O-])c21 ZINC000433373617 429029556 /nfs/dbraw/zinc/02/95/56/429029556.db2.gz SLKNGTLKRWZWBU-UHFFFAOYSA-N -1 3 307.353 2.790 20 0 DFADHM CS[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC000412387140 429030454 /nfs/dbraw/zinc/03/04/54/429030454.db2.gz VXOHIQCIHBHDER-VIFPVBQESA-N -1 3 322.817 2.759 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c(F)c1 ZINC000451819992 428985561 /nfs/dbraw/zinc/98/55/61/428985561.db2.gz CCUJQYVKEURMGV-SECBINFHSA-N -1 3 323.336 2.548 20 0 DFADHM O=C(NC1(c2cccc(F)c2)CC1)c1cc(F)cc2nn[n-]c21 ZINC000433477801 429033932 /nfs/dbraw/zinc/03/39/32/429033932.db2.gz OCCDXAOXDHLVTC-UHFFFAOYSA-N -1 3 314.295 2.655 20 0 DFADHM O=C(NC1(c2cccc(F)c2)CC1)c1cc(F)cc2[n-]nnc21 ZINC000433477801 429033935 /nfs/dbraw/zinc/03/39/35/429033935.db2.gz OCCDXAOXDHLVTC-UHFFFAOYSA-N -1 3 314.295 2.655 20 0 DFADHM O=C(NC1(c2cccc(F)c2)CC1)c1cc(F)cc2n[n-]nc21 ZINC000433477801 429033938 /nfs/dbraw/zinc/03/39/38/429033938.db2.gz OCCDXAOXDHLVTC-UHFFFAOYSA-N -1 3 314.295 2.655 20 0 DFADHM Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000375831127 428990599 /nfs/dbraw/zinc/99/05/99/428990599.db2.gz MLOCBOGSIFQSQC-CQSZACIVSA-N -1 3 311.385 2.812 20 0 DFADHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1n[n-]c(=O)s1 ZINC000375844067 428992693 /nfs/dbraw/zinc/99/26/93/428992693.db2.gz ZMFYDQJWHMBWEK-BFHYXJOUSA-N -1 3 319.430 2.685 20 0 DFADHM CC(=O)c1ccc(C(=O)NCC(C)(C)C2(O)CCCC2)cc1[O-] ZINC000412403892 429034031 /nfs/dbraw/zinc/03/40/31/429034031.db2.gz QFSVVOOAVMSELC-UHFFFAOYSA-N -1 3 319.401 2.656 20 0 DFADHM Cc1cc(C)cc(C[C@H](C)NC(=O)NCc2ncccc2[O-])c1 ZINC000349490908 428996363 /nfs/dbraw/zinc/99/63/63/428996363.db2.gz IFLNMMJTKYNEPT-AWEZNQCLSA-N -1 3 313.401 2.834 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2cnc(CC(C)C)nc2)cc1[O-] ZINC000412300392 429008565 /nfs/dbraw/zinc/00/85/65/429008565.db2.gz REJLLMFJOUTNLB-UHFFFAOYSA-N -1 3 313.357 2.836 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000412300092 429008682 /nfs/dbraw/zinc/00/86/82/429008682.db2.gz QKIYLOBOVUTRDQ-QWHCGFSZSA-N -1 3 302.761 2.861 20 0 DFADHM O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc([O-])c2ccccc2c1 ZINC000375986773 429035753 /nfs/dbraw/zinc/03/57/53/429035753.db2.gz IRNILCLZGWGIDA-AWEZNQCLSA-N -1 3 307.353 2.556 20 0 DFADHM CCOC[C@@H]1CCCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000412421335 429038932 /nfs/dbraw/zinc/03/89/32/429038932.db2.gz QIFQUUXRKHFSFV-ZDUSSCGKSA-N -1 3 314.385 2.559 20 0 DFADHM O=C(c1ccccc1[O-])N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000376200736 429075399 /nfs/dbraw/zinc/07/53/99/429075399.db2.gz ULYOJEAMFXASAY-CVEARBPZSA-N -1 3 311.381 2.630 20 0 DFADHM O=C(c1ccccc1[O-])N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000412651574 429076634 /nfs/dbraw/zinc/07/66/34/429076634.db2.gz FCHXCLRALSSRKW-LJQANCHMSA-N -1 3 323.348 2.642 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@](C)(F)C3)c[n-]c12 ZINC000452196701 429083436 /nfs/dbraw/zinc/08/34/36/429083436.db2.gz RKNXNVKVFIRCQK-KRWDZBQOSA-N -1 3 320.339 2.940 20 0 DFADHM O=S(=O)(CCOCC1CC1)[N-]c1cccc(-n2cccc2)c1 ZINC000424067140 429085312 /nfs/dbraw/zinc/08/53/12/429085312.db2.gz OOOCCENPYYYTNB-UHFFFAOYSA-N -1 3 320.414 2.646 20 0 DFADHM CN(CC1CCCCC1)C(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424262143 429116767 /nfs/dbraw/zinc/11/67/67/429116767.db2.gz QDKGOOWEDDFSQK-INIZCTEOSA-N -1 3 324.465 2.744 20 0 DFADHM C[C@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)[C@H]1C(=O)[O-] ZINC000424266910 429117063 /nfs/dbraw/zinc/11/70/63/429117063.db2.gz JSDKDKOPXDQXKZ-BLLLJJGKSA-N -1 3 317.364 2.697 20 0 DFADHM CC(C)[C@H](O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000412981145 429117140 /nfs/dbraw/zinc/11/71/40/429117140.db2.gz UORLQGIOJJTXHP-LLVKDONJSA-N -1 3 313.423 3.530 20 0 DFADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)c1cccc(F)c1 ZINC000412986937 429118237 /nfs/dbraw/zinc/11/82/37/429118237.db2.gz XXBRDXZELZYKIH-SECBINFHSA-N -1 3 309.366 2.896 20 0 DFADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000452519938 429124290 /nfs/dbraw/zinc/12/42/90/429124290.db2.gz NBOFDFMQUSSWEX-TZMCWYRMSA-N -1 3 324.446 2.614 20 0 DFADHM CCc1cc(C(=O)N[C@H]2COc3ccc(F)cc32)ccc1[O-] ZINC000487164731 429139434 /nfs/dbraw/zinc/13/94/34/429139434.db2.gz PUFUQFZAAVQWFQ-AWEZNQCLSA-N -1 3 301.317 2.957 20 0 DFADHM O=C([O-])[C@@H]1CC[C@H](NCc2cc(Br)ccc2F)C1 ZINC000424616669 429163356 /nfs/dbraw/zinc/16/33/56/429163356.db2.gz JXWZYRHIBMDFDD-KCJUWKMLSA-N -1 3 316.170 2.931 20 0 DFADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1ccn(-c2ccccc2)n1 ZINC000424616058 429163390 /nfs/dbraw/zinc/16/33/90/429163390.db2.gz FSAIWBWNCDTKBY-BBRMVZONSA-N -1 3 301.390 2.707 20 0 DFADHM O=C([O-])[C@@H]1CC[C@H](NCc2cc(F)ccc2Br)C1 ZINC000424628414 429166972 /nfs/dbraw/zinc/16/69/72/429166972.db2.gz WUDMNOIUXTUBNL-KCJUWKMLSA-N -1 3 316.170 2.931 20 0 DFADHM C[C@@H](CO)N(CC1CCC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000435857607 429169323 /nfs/dbraw/zinc/16/93/23/429169323.db2.gz WCTREJSVFFLQGD-ZDUSSCGKSA-N -1 3 323.408 2.864 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](c2cnn(C)c2)c2ccccc2)c1[O-] ZINC000364287091 429175728 /nfs/dbraw/zinc/17/57/28/429175728.db2.gz ADDBTWFSYVZJID-QGZVFWFLSA-N -1 3 321.380 2.954 20 0 DFADHM COc1cc(C)cnc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000488570910 429185820 /nfs/dbraw/zinc/18/58/20/429185820.db2.gz WDOFWSFFXSTZJZ-UHFFFAOYSA-N -1 3 306.391 2.701 20 0 DFADHM CCOc1ccc([C@H]2CCCN2Cc2n[n-]c(=O)s2)cc1 ZINC000364488285 429213099 /nfs/dbraw/zinc/21/30/99/429213099.db2.gz AWWZWUKEUUEJFW-CYBMUJFWSA-N -1 3 305.403 2.980 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)sc1Cl ZINC000364524790 429219246 /nfs/dbraw/zinc/21/92/46/429219246.db2.gz BTRVMMIXZDSBQS-IVZWLZJFSA-N -1 3 321.851 2.556 20 0 DFADHM C[C@H](CO[N-]C(=O)C12CCC(CC1)C2)NC(=O)OC(C)(C)C ZINC000495302787 429197751 /nfs/dbraw/zinc/19/77/51/429197751.db2.gz VQDUMYBAFAWQDN-OPGSHWCFSA-N -1 3 312.410 2.528 20 0 DFADHM CC(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000488793808 429198759 /nfs/dbraw/zinc/19/87/59/429198759.db2.gz JFSWISVTTYJPJR-UONOGXRCSA-N -1 3 300.399 2.714 20 0 DFADHM Cc1cccc(C(=O)NCCNc2ccc3ccccc3n2)c1[O-] ZINC000436561333 429199789 /nfs/dbraw/zinc/19/97/89/429199789.db2.gz FVRHSCYWZNXJCD-UHFFFAOYSA-N -1 3 321.380 3.091 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2ccn(-c3ccccc3)n2)c1[O-] ZINC000436755032 429202313 /nfs/dbraw/zinc/20/23/13/429202313.db2.gz LMFHUYQAIIAEMA-UHFFFAOYSA-N -1 3 323.352 3.147 20 0 DFADHM CCn1ccnc1[C@H](C)NC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000456357747 429285286 /nfs/dbraw/zinc/28/52/86/429285286.db2.gz PROBIDAFVNDHLX-LBPRGKRZSA-N -1 3 324.384 2.544 20 0 DFADHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000490331009 429285603 /nfs/dbraw/zinc/28/56/03/429285603.db2.gz GZHJKSLWDKCWJN-UHFFFAOYSA-N -1 3 303.742 2.859 20 0 DFADHM O=C(c1ccccc1[O-])N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425126876 429236338 /nfs/dbraw/zinc/23/63/38/429236338.db2.gz VMQJFQQKHBOSPH-INIZCTEOSA-N -1 3 301.386 2.814 20 0 DFADHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442936625 429241315 /nfs/dbraw/zinc/24/13/15/429241315.db2.gz ZVARQCCIZCCGSJ-CPCISQLKSA-N -1 3 307.268 2.636 20 0 DFADHM CCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C1CC1 ZINC000442926423 429241817 /nfs/dbraw/zinc/24/18/17/429241817.db2.gz VWELKZGPFFJGQE-UHFFFAOYSA-N -1 3 318.295 2.714 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c([O-])c1C ZINC000456130025 429246603 /nfs/dbraw/zinc/24/66/03/429246603.db2.gz PSZYKGFDKUKWJF-BMFZPTHFSA-N -1 3 303.402 2.775 20 0 DFADHM CO[C@H](C)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000443401837 429247151 /nfs/dbraw/zinc/24/71/51/429247151.db2.gz WANIGSIOSZXKNP-CQSZACIVSA-N -1 3 313.397 2.942 20 0 DFADHM CO[C@@H](C)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000443401836 429248356 /nfs/dbraw/zinc/24/83/56/429248356.db2.gz WANIGSIOSZXKNP-AWEZNQCLSA-N -1 3 313.397 2.942 20 0 DFADHM COc1ccc2c(c1)CCN([C@@H](C)c1nc(C)cc(=O)[n-]1)CC2 ZINC000364709791 429254314 /nfs/dbraw/zinc/25/43/14/429254314.db2.gz PEMZOZSDYKEAFH-ZDUSSCGKSA-N -1 3 313.401 2.661 20 0 DFADHM COC(=O)NCCCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000495777703 429264200 /nfs/dbraw/zinc/26/42/00/429264200.db2.gz ONCUOJPNXLLWDO-UHFFFAOYSA-N -1 3 308.378 2.764 20 0 DFADHM COc1nc(NC(=O)C[C@H]2C[C@H](C)c3c2cccc3C)n[n-]1 ZINC000489963564 429271081 /nfs/dbraw/zinc/27/10/81/429271081.db2.gz JZCGKTBNGGBXOQ-WDEREUQCSA-N -1 3 300.362 2.741 20 0 DFADHM COc1nnc(NC(=O)C[C@H]2C[C@H](C)c3c2cccc3C)[n-]1 ZINC000489963564 429271083 /nfs/dbraw/zinc/27/10/83/429271083.db2.gz JZCGKTBNGGBXOQ-WDEREUQCSA-N -1 3 300.362 2.741 20 0 DFADHM COc1n[n-]c(NC(=O)C[C@H]2C[C@H](C)c3c2cccc3C)n1 ZINC000489963564 429271088 /nfs/dbraw/zinc/27/10/88/429271088.db2.gz JZCGKTBNGGBXOQ-WDEREUQCSA-N -1 3 300.362 2.741 20 0 DFADHM C[C@@H]1CCN(C(=O)[C@@H]2CCc3nccn3C2)c2c([O-])cccc21 ZINC000364993689 429271507 /nfs/dbraw/zinc/27/15/07/429271507.db2.gz KSWDUGRRXCWBKZ-CHWSQXEVSA-N -1 3 311.385 2.692 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000456344510 429280479 /nfs/dbraw/zinc/28/04/79/429280479.db2.gz XFMAMHPURPTMSI-BNOWGMLFSA-N -1 3 323.820 2.598 20 0 DFADHM CSc1ccc(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([O-])c1 ZINC000365521614 429333018 /nfs/dbraw/zinc/33/30/18/429333018.db2.gz KIAIWIWWHWVEKM-CFVMTHIKSA-N -1 3 321.442 3.000 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1 ZINC000365543640 429338570 /nfs/dbraw/zinc/33/85/70/429338570.db2.gz ASCIEIQBDSCNEH-JTQLQIEISA-N -1 3 324.352 2.832 20 0 DFADHM COc1ccc([O-])c(C(=O)NCCOc2ccccc2Cl)c1 ZINC000505967780 429345371 /nfs/dbraw/zinc/34/53/71/429345371.db2.gz KHPSAXKKDJHEPH-UHFFFAOYSA-N -1 3 321.760 2.863 20 0 DFADHM Cc1cccc(C)c1OCCC[N-]S(=O)(=O)c1ccco1 ZINC000445737392 429290380 /nfs/dbraw/zinc/29/03/80/429290380.db2.gz VYMILAHKMVDGIH-UHFFFAOYSA-N -1 3 309.387 2.644 20 0 DFADHM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)[N-]OC1CCCCC1 ZINC000495957383 429299612 /nfs/dbraw/zinc/29/96/12/429299612.db2.gz NODVCKQJTWJCNS-RYUDHWBXSA-N -1 3 314.426 2.916 20 0 DFADHM CCC[C@@]1(CO)CCN(C(=O)c2ccc(SC)cc2[O-])C1 ZINC000365597101 429346732 /nfs/dbraw/zinc/34/67/32/429346732.db2.gz KDVWHTACUAOPBM-MRXNPFEDSA-N -1 3 309.431 2.739 20 0 DFADHM Cn1nccc1/C=C\C(=O)Nc1ccc(Br)cc1[O-] ZINC000490733999 429302420 /nfs/dbraw/zinc/30/24/20/429302420.db2.gz NOCWSVRZJJCCDF-HYXAFXHYSA-N -1 3 322.162 2.540 20 0 DFADHM Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000517811979 429398871 /nfs/dbraw/zinc/39/88/71/429398871.db2.gz QJNOCVHVKWFVPQ-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000517811979 429398876 /nfs/dbraw/zinc/39/88/76/429398876.db2.gz QJNOCVHVKWFVPQ-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM CC(C)CC(CC(C)C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517880157 429401052 /nfs/dbraw/zinc/40/10/52/429401052.db2.gz SKFODULBJPZBNK-UHFFFAOYSA-N -1 3 316.401 2.761 20 0 DFADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517880208 429402034 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COC(=O)c1cc(NC(=O)c2cccc([O-])c2)cc2[nH]ccc21 ZINC000425971270 429355003 /nfs/dbraw/zinc/35/50/03/429355003.db2.gz NWQGJHJZOBLQRR-UHFFFAOYSA-N -1 3 310.309 2.912 20 0 DFADHM O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1cc(F)ccc1[O-] ZINC000365782582 429372361 /nfs/dbraw/zinc/37/23/61/429372361.db2.gz DOUUNNCQWLIHBO-LLVKDONJSA-N -1 3 300.289 2.596 20 0 DFADHM Cc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1-n1cncn1 ZINC000426710501 429410271 /nfs/dbraw/zinc/41/02/71/429410271.db2.gz WQDBMVZTUYAOMG-UHFFFAOYSA-N -1 3 322.368 2.564 20 0 DFADHM Cc1cc(NC(=O)c2cccc3nn[n-]c32)nn1C1CCCCC1 ZINC000516527687 429380102 /nfs/dbraw/zinc/38/01/02/429380102.db2.gz BVYYAHOWDWPLSA-UHFFFAOYSA-N -1 3 324.388 3.220 20 0 DFADHM Cc1cc(NC(=O)c2cccc3[n-]nnc32)nn1C1CCCCC1 ZINC000516527687 429380108 /nfs/dbraw/zinc/38/01/08/429380108.db2.gz BVYYAHOWDWPLSA-UHFFFAOYSA-N -1 3 324.388 3.220 20 0 DFADHM Cc1cc(NC(=O)c2cccc3n[n-]nc32)nn1C1CCCCC1 ZINC000516527687 429380112 /nfs/dbraw/zinc/38/01/12/429380112.db2.gz BVYYAHOWDWPLSA-UHFFFAOYSA-N -1 3 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CLZDXLCQUQLEQX-UHFFFAOYSA-N -1 3 318.417 2.523 20 0 DFADHM C[C@@H]1[C@H](C(=O)[N-]OC2CCCC2)CCN1C(=O)OC(C)(C)C ZINC000492697044 429595427 /nfs/dbraw/zinc/59/54/27/429595427.db2.gz RQEVMFMJEHMHMB-DGCLKSJQSA-N -1 3 312.410 2.622 20 0 DFADHM O=C(/C=C/c1ccc(C(F)(F)F)cc1)[N-]OC1CCOCC1 ZINC000492700011 429597142 /nfs/dbraw/zinc/59/71/42/429597142.db2.gz BGDLNZXQBUOPOO-ZZXKWVIFSA-N -1 3 315.291 2.945 20 0 DFADHM CCOCCO[N-]C(=O)/C=C\c1ccc(Br)s1 ZINC000492707023 429598629 /nfs/dbraw/zinc/59/86/29/429598629.db2.gz OCLXECRRDOMTHO-XQRVVYSFSA-N -1 3 320.208 2.608 20 0 DFADHM O=c1[n-]nc(CN2CC[C@H](Cc3cccc(Cl)c3)C2)s1 ZINC000367456314 429652088 /nfs/dbraw/zinc/65/20/88/429652088.db2.gz BJZCAZYPZRBNMZ-LLVKDONJSA-N -1 3 309.822 2.962 20 0 DFADHM C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)c1ccn(C)n1 ZINC000458263618 429610287 /nfs/dbraw/zinc/61/02/87/429610287.db2.gz AYDQOQSHIMMNDH-QMMMGPOBSA-N -1 3 313.279 2.636 20 0 DFADHM Cc1ccc(C[N-]C(=O)C(C)(F)F)c(-n2cc(Cl)cn2)n1 ZINC000367466115 429655553 /nfs/dbraw/zinc/65/55/53/429655553.db2.gz RTPODTABSLHYHZ-UHFFFAOYSA-N -1 3 314.723 2.501 20 0 DFADHM COc1cc(C(=O)[N-]c2c(C)cnc3c(OC)cccc23)on1 ZINC000430159033 429658519 /nfs/dbraw/zinc/65/85/19/429658519.db2.gz ZVMARDSRIRPMPP-UHFFFAOYSA-N -1 3 313.313 2.801 20 0 DFADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCn2nccc21 ZINC000367498993 429660737 /nfs/dbraw/zinc/66/07/37/429660737.db2.gz YKCZUDVFILBPRY-UHFFFAOYSA-N -1 3 319.364 2.840 20 0 DFADHM C[C@@H]1CCCC[C@]1(C)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000458649205 429671682 /nfs/dbraw/zinc/67/16/82/429671682.db2.gz HHVPVINHPFDCDN-PELKAZGASA-N -1 3 319.331 2.592 20 0 DFADHM C[C@@H]1CCCC[C@]1(C)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000458649205 429671685 /nfs/dbraw/zinc/67/16/85/429671685.db2.gz HHVPVINHPFDCDN-PELKAZGASA-N -1 3 319.331 2.592 20 0 DFADHM C[C@@H]1CCCC[C@]1(C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000458649205 429671689 /nfs/dbraw/zinc/67/16/89/429671689.db2.gz HHVPVINHPFDCDN-PELKAZGASA-N -1 3 319.331 2.592 20 0 DFADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccco2)c2ccccc2O1 ZINC000188763805 276143484 /nfs/dbraw/zinc/14/34/84/276143484.db2.gz IONUMVCCJIRLTG-GFCCVEGCSA-N -1 3 307.371 2.860 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)NCc2nnc(C(F)(F)F)[n-]2)C[C@@H]1C ZINC000450747396 429690846 /nfs/dbraw/zinc/69/08/46/429690846.db2.gz OHIYGEGKNHQBQB-VGMNWLOBSA-N -1 3 304.316 2.512 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)NCc2n[n-]c(C(F)(F)F)n2)C[C@@H]1C ZINC000450747396 429690851 /nfs/dbraw/zinc/69/08/51/429690851.db2.gz OHIYGEGKNHQBQB-VGMNWLOBSA-N -1 3 304.316 2.512 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@@H]1C ZINC000450747396 429690854 /nfs/dbraw/zinc/69/08/54/429690854.db2.gz OHIYGEGKNHQBQB-VGMNWLOBSA-N -1 3 304.316 2.512 20 0 DFADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC000526072004 429699577 /nfs/dbraw/zinc/69/95/77/429699577.db2.gz YMLINUWPERYRMZ-CYBMUJFWSA-N -1 3 321.808 2.705 20 0 DFADHM O=C(NCc1ncccc1F)c1cc2c(cc1[O-])CCCC2 ZINC000526023280 429695621 /nfs/dbraw/zinc/69/56/21/429695621.db2.gz XIEFXFVGQNAEKO-UHFFFAOYSA-N -1 3 300.333 2.735 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CCC3(CCC3)CC2)c(=O)[n-]1 ZINC000367663205 429695905 /nfs/dbraw/zinc/69/59/05/429695905.db2.gz DGIAQFWQOCYRMM-UHFFFAOYSA-N -1 3 303.406 2.524 20 0 DFADHM O=C([N-]CCCN1CC[C@H]1c1ccccc1F)C(F)(F)F ZINC000367677823 429698011 /nfs/dbraw/zinc/69/80/11/429698011.db2.gz HVSLFJTWGALCOY-LBPRGKRZSA-N -1 3 304.287 2.641 20 0 DFADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1nc(C)ncc1Cl ZINC000526090193 429701771 /nfs/dbraw/zinc/70/17/71/429701771.db2.gz WENZXDBSPSKUPE-UHFFFAOYSA-N -1 3 323.711 2.616 20 0 DFADHM COc1c(Cl)cccc1NC(=O)c1cccc2nn[n-]c21 ZINC000527358502 429746046 /nfs/dbraw/zinc/74/60/46/429746046.db2.gz CMJQAFBFNXQTLX-UHFFFAOYSA-N -1 3 302.721 2.872 20 0 DFADHM COc1c(Cl)cccc1NC(=O)c1cccc2[n-]nnc21 ZINC000527358502 429746050 /nfs/dbraw/zinc/74/60/50/429746050.db2.gz CMJQAFBFNXQTLX-UHFFFAOYSA-N -1 3 302.721 2.872 20 0 DFADHM COc1c(Cl)cccc1NC(=O)c1cccc2n[n-]nc21 ZINC000527358502 429746055 /nfs/dbraw/zinc/74/60/55/429746055.db2.gz CMJQAFBFNXQTLX-UHFFFAOYSA-N -1 3 302.721 2.872 20 0 DFADHM CC[C@@]1(O)CCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000450808371 429703217 /nfs/dbraw/zinc/70/32/17/429703217.db2.gz IHTFEILGOFZALZ-LJQANCHMSA-N -1 3 313.397 2.851 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CSC[C@@H]3C)nc2)n1 ZINC000367734984 429709566 /nfs/dbraw/zinc/70/95/66/429709566.db2.gz VFTANXMRSATGMZ-GXFFZTMASA-N -1 3 316.430 2.970 20 0 DFADHM COCCCO[N-]C(=O)[C@H]1C[C@@]12CC(C)(C)Oc1ccccc12 ZINC000367776522 429715258 /nfs/dbraw/zinc/71/52/58/429715258.db2.gz NHGJUOMPAOVLOX-KDOFPFPSSA-N -1 3 319.401 2.590 20 0 DFADHM CC(C)(C)[C@@H](NC(=O)c1cccc2nn[n-]c21)C(F)(F)F ZINC000527356667 429746484 /nfs/dbraw/zinc/74/64/84/429746484.db2.gz GYRDSGAPGPHPFR-LLVKDONJSA-N -1 3 300.284 2.665 20 0 DFADHM CC(C)(C)[C@@H](NC(=O)c1cccc2[n-]nnc21)C(F)(F)F ZINC000527356667 429746487 /nfs/dbraw/zinc/74/64/87/429746487.db2.gz GYRDSGAPGPHPFR-LLVKDONJSA-N -1 3 300.284 2.665 20 0 DFADHM CC(C)(C)[C@@H](NC(=O)c1cccc2n[n-]nc21)C(F)(F)F ZINC000527356667 429746490 /nfs/dbraw/zinc/74/64/90/429746490.db2.gz GYRDSGAPGPHPFR-LLVKDONJSA-N -1 3 300.284 2.665 20 0 DFADHM CSCC1CCC(NC(=O)/C=C\c2cncc([O-])c2)CC1 ZINC000493248757 429720435 /nfs/dbraw/zinc/72/04/35/429720435.db2.gz FYSFEFMRDDGHDF-DAXSKMNVSA-N -1 3 306.431 2.838 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc2nn[n-]c21 ZINC000527108995 429723881 /nfs/dbraw/zinc/72/38/81/429723881.db2.gz CRUMCLBAZHKCMU-NOZJJQNGSA-N -1 3 314.295 2.522 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc2[n-]nnc21 ZINC000527108995 429723885 /nfs/dbraw/zinc/72/38/85/429723885.db2.gz CRUMCLBAZHKCMU-NOZJJQNGSA-N -1 3 314.295 2.522 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc2n[n-]nc21 ZINC000527108995 429723888 /nfs/dbraw/zinc/72/38/88/429723888.db2.gz CRUMCLBAZHKCMU-NOZJJQNGSA-N -1 3 314.295 2.522 20 0 DFADHM CCC(CC)(CCSc1ncc(C(=O)OC)[n-]1)C(=O)OC ZINC000450906392 429726552 /nfs/dbraw/zinc/72/65/52/429726552.db2.gz QZSPNONUXUFVFJ-UHFFFAOYSA-N -1 3 314.407 2.658 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@H]1C[C@]12CCOC2 ZINC000527193999 429730925 /nfs/dbraw/zinc/73/09/25/429730925.db2.gz LKPWLFHSQHSQAA-RNCFNFMXSA-N -1 3 317.263 2.656 20 0 DFADHM CCC(CC)[C@H](CCNC(=O)c1cccc2nn[n-]c21)OC ZINC000527361429 429746898 /nfs/dbraw/zinc/74/68/98/429746898.db2.gz JDIMSACHKKMKPR-AWEZNQCLSA-N -1 3 304.394 2.529 20 0 DFADHM CCC(CC)[C@H](CCNC(=O)c1cccc2[n-]nnc21)OC ZINC000527361429 429746899 /nfs/dbraw/zinc/74/68/99/429746899.db2.gz JDIMSACHKKMKPR-AWEZNQCLSA-N -1 3 304.394 2.529 20 0 DFADHM CCC(CC)[C@H](CCNC(=O)c1cccc2n[n-]nc21)OC ZINC000527361429 429746902 /nfs/dbraw/zinc/74/69/02/429746902.db2.gz JDIMSACHKKMKPR-AWEZNQCLSA-N -1 3 304.394 2.529 20 0 DFADHM COC(=O)c1cc(-c2nc(Cc3cccc(F)c3)no2)c[n-]1 ZINC000431031109 429734772 /nfs/dbraw/zinc/73/47/72/429734772.db2.gz VBZHPIQVYDRJBR-UHFFFAOYSA-N -1 3 301.277 2.581 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)CCc2ccccc2)s1 ZINC000431091253 429741175 /nfs/dbraw/zinc/74/11/75/429741175.db2.gz PZXOJFRGTVKZMI-NSHDSACASA-N -1 3 310.444 2.751 20 0 DFADHM CC(C)(C)n1ncc2c1CCC[C@H]2[N-]c1nnc(C(F)F)o1 ZINC000367911180 429742600 /nfs/dbraw/zinc/74/26/00/429742600.db2.gz MPIHVWDILFHHEH-SECBINFHSA-N -1 3 311.336 3.448 20 0 DFADHM C[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC12CCCCC2 ZINC000368150439 429798807 /nfs/dbraw/zinc/79/88/07/429798807.db2.gz LPUGGVUXDGKRMC-AWEZNQCLSA-N -1 3 314.433 2.815 20 0 DFADHM O=C(c1cccc([O-])c1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000368165741 429801921 /nfs/dbraw/zinc/80/19/21/429801921.db2.gz WZCVYGJOTLCYGK-INIZCTEOSA-N -1 3 301.317 2.825 20 0 DFADHM CCOc1nc2cc(C(=O)N3C[C@H](C)O[C@H](C)[C@@H]3C)ccc2[n-]1 ZINC000451004757 429747975 /nfs/dbraw/zinc/74/79/75/429747975.db2.gz NQRVCYMUBSRZHA-SDDRHHMPSA-N -1 3 317.389 2.600 20 0 DFADHM CCOc1nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)[C@@H]3C)cc2[n-]1 ZINC000451004757 429747981 /nfs/dbraw/zinc/74/79/81/429747981.db2.gz NQRVCYMUBSRZHA-SDDRHHMPSA-N -1 3 317.389 2.600 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccc(OC(F)F)cc2)c[n-]1 ZINC000431277591 429750707 /nfs/dbraw/zinc/75/07/07/429750707.db2.gz WUKBEGIHTPVJBJ-UHFFFAOYSA-N -1 3 310.256 2.655 20 0 DFADHM CCc1cc(C(=O)N(C)C2(C(=O)OC)CCCCC2)ccc1[O-] ZINC000486805725 429751179 /nfs/dbraw/zinc/75/11/79/429751179.db2.gz WXZHBBREJYDYLP-UHFFFAOYSA-N -1 3 319.401 2.903 20 0 DFADHM COc1nc(NC(=O)CCSc2cccc(Cl)c2)n[n-]1 ZINC000486951912 429754958 /nfs/dbraw/zinc/75/49/58/429754958.db2.gz WCKMHVIYEHHKMT-UHFFFAOYSA-N -1 3 312.782 2.588 20 0 DFADHM COc1nnc(NC(=O)CCSc2cccc(Cl)c2)[n-]1 ZINC000486951912 429754963 /nfs/dbraw/zinc/75/49/63/429754963.db2.gz WCKMHVIYEHHKMT-UHFFFAOYSA-N -1 3 312.782 2.588 20 0 DFADHM COc1n[n-]c(NC(=O)CCSc2cccc(Cl)c2)n1 ZINC000486951912 429754967 /nfs/dbraw/zinc/75/49/67/429754967.db2.gz WCKMHVIYEHHKMT-UHFFFAOYSA-N -1 3 312.782 2.588 20 0 DFADHM C[C@H]1CCN(C(=O)c2noc3c2COCC3)c2c([O-])cccc21 ZINC000527607912 429765385 /nfs/dbraw/zinc/76/53/85/429765385.db2.gz LYXAQNJCOOHTHM-JTQLQIEISA-N -1 3 314.341 2.607 20 0 DFADHM C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)/C=C/c1cncc([O-])c1 ZINC000368023954 429768989 /nfs/dbraw/zinc/76/89/89/429768989.db2.gz MIHITYPSIRFJEZ-WHTVEOTOSA-N -1 3 314.316 2.578 20 0 DFADHM CCc1cc(C(=O)N2CCC(c3cnccn3)CC2)ccc1[O-] ZINC000368025877 429769584 /nfs/dbraw/zinc/76/95/84/429769584.db2.gz CTVRCRNAANXQLC-UHFFFAOYSA-N -1 3 311.385 2.764 20 0 DFADHM CCc1cc(C(=O)N2CCC(n3ccc(C)n3)CC2)ccc1[O-] ZINC000368037242 429772622 /nfs/dbraw/zinc/77/26/22/429772622.db2.gz CEKCWESICHNOBE-UHFFFAOYSA-N -1 3 313.401 2.937 20 0 DFADHM O=C(Nc1ccccc1[O-])c1cnn(CCO)c1-c1ccccc1 ZINC000431639586 429773458 /nfs/dbraw/zinc/77/34/58/429773458.db2.gz YOKCVAGZFXVLCI-UHFFFAOYSA-N -1 3 323.352 2.500 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@H](c2ccncc2)C1 ZINC000493496495 429774511 /nfs/dbraw/zinc/77/45/11/429774511.db2.gz WOSACLCPFLETQS-CWDCEQMOSA-N -1 3 309.369 2.602 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])n(C2CCOCC2)n1 ZINC000527661066 429774705 /nfs/dbraw/zinc/77/47/05/429774705.db2.gz YKZHAZIVNFUTMR-UHFFFAOYSA-N -1 3 315.373 2.809 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3)C2)o1 ZINC000431645927 429775389 /nfs/dbraw/zinc/77/53/89/429775389.db2.gz ZXNLTMLFCSLGGT-MQMHXKEQSA-N -1 3 309.362 2.952 20 0 DFADHM O=C(NCCc1cn2c(n1)CCCC2)c1cc([O-])ccc1Cl ZINC000368060282 429777429 /nfs/dbraw/zinc/77/74/29/429777429.db2.gz FDAFIFXQAVRMIA-UHFFFAOYSA-N -1 3 319.792 2.551 20 0 DFADHM CC[C@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000431701365 429778204 /nfs/dbraw/zinc/77/82/04/429778204.db2.gz CTUKPPQUXNPDDU-XYPYZODXSA-N -1 3 315.373 2.661 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2)c1 ZINC000451167776 429779381 /nfs/dbraw/zinc/77/93/81/429779381.db2.gz AFECRMMBOSIHOE-ZDUSSCGKSA-N -1 3 322.455 2.614 20 0 DFADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1CC2CCC1CC2 ZINC000431747874 429780642 /nfs/dbraw/zinc/78/06/42/429780642.db2.gz BRJBMHHCRRAYSV-BPCQOVAHSA-N -1 3 322.430 2.823 20 0 DFADHM CCOc1cc(CNCc2ncccc2[O-])c(F)cc1OC ZINC000527701384 429781447 /nfs/dbraw/zinc/78/14/47/429781447.db2.gz RAZXOLHNVLBHNW-UHFFFAOYSA-N -1 3 306.337 2.623 20 0 DFADHM COC(=O)c1ccc(C(=O)N2CCCSc3ccccc32)[n-]1 ZINC000431786269 429782817 /nfs/dbraw/zinc/78/28/17/429782817.db2.gz CTNLDZSOFDWKRT-UHFFFAOYSA-N -1 3 316.382 2.944 20 0 DFADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CCOC1 ZINC000451191344 429784763 /nfs/dbraw/zinc/78/47/63/429784763.db2.gz ZMRZEUIKPPBDHU-INIZCTEOSA-N -1 3 323.389 2.684 20 0 DFADHM Cc1ncc(CNC(=O)C=Cc2ccc(C3CC3)cc2)c(=O)[n-]1 ZINC000493553288 429785455 /nfs/dbraw/zinc/78/54/55/429785455.db2.gz KVDCREXHVDINRW-WTKPLQERSA-N -1 3 309.369 2.698 20 0 DFADHM COC(=O)c1ccc(C(=O)N2CCCc3cc(F)ccc32)[n-]1 ZINC000431837004 429785938 /nfs/dbraw/zinc/78/59/38/429785938.db2.gz UEEFURKISKNTHF-UHFFFAOYSA-N -1 3 302.305 2.533 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)[C@@H]1c1ccccc1 ZINC000431849023 429787512 /nfs/dbraw/zinc/78/75/12/429787512.db2.gz ZGTVDMWFGNZJBX-HWPZZCPQSA-N -1 3 310.332 2.930 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)[C@@H]1c1ccccc1 ZINC000431849023 429787517 /nfs/dbraw/zinc/78/75/17/429787517.db2.gz ZGTVDMWFGNZJBX-HWPZZCPQSA-N -1 3 310.332 2.930 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)[C@@H]1c1ccccc1 ZINC000431849023 429787520 /nfs/dbraw/zinc/78/75/20/429787520.db2.gz ZGTVDMWFGNZJBX-HWPZZCPQSA-N -1 3 310.332 2.930 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)[C@H]1c1ccccc1 ZINC000431849026 429787777 /nfs/dbraw/zinc/78/77/77/429787777.db2.gz ZGTVDMWFGNZJBX-QLJPJBMISA-N -1 3 310.332 2.930 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)[C@H]1c1ccccc1 ZINC000431849026 429787782 /nfs/dbraw/zinc/78/77/82/429787782.db2.gz ZGTVDMWFGNZJBX-QLJPJBMISA-N -1 3 310.332 2.930 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)[C@H]1c1ccccc1 ZINC000431849026 429787785 /nfs/dbraw/zinc/78/77/85/429787785.db2.gz ZGTVDMWFGNZJBX-QLJPJBMISA-N -1 3 310.332 2.930 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@@]12CCOC2 ZINC000368130025 429793980 /nfs/dbraw/zinc/79/39/80/429793980.db2.gz XXZJLBXMSBQAHR-TVQRCGJNSA-N -1 3 312.163 2.520 20 0 DFADHM COc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c([O-])c1 ZINC000493609569 429794715 /nfs/dbraw/zinc/79/47/15/429794715.db2.gz HXDKCSGXJPZYRY-XVNBXDOJSA-N -1 3 313.309 2.781 20 0 DFADHM Cc1ncc(CN[C@H](C)c2cc(-c3ccccc3)n(C)n2)c(=O)[n-]1 ZINC000527885452 429815495 /nfs/dbraw/zinc/81/54/95/429815495.db2.gz HLRBCMNIQZYNRW-GFCCVEGCSA-N -1 3 323.400 2.742 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000451435358 429830458 /nfs/dbraw/zinc/83/04/58/429830458.db2.gz QZRTVBLFXZBMEF-NUEKZKHPSA-N -1 3 321.392 2.616 20 0 DFADHM O=C(Nc1ccccc1[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000432653544 429832589 /nfs/dbraw/zinc/83/25/89/429832589.db2.gz FMQQDWQZSBVXFS-CQSZACIVSA-N -1 3 310.353 2.774 20 0 DFADHM Cc1cc(CN(C)C(=O)/C=C\c2cncc([O-])c2)ccc1F ZINC000493856580 429843193 /nfs/dbraw/zinc/84/31/93/429843193.db2.gz OQCGSKYVHOUBJZ-XQRVVYSFSA-N -1 3 300.333 2.907 20 0 DFADHM 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Cc1csc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c1 ZINC000562723689 430172228 /nfs/dbraw/zinc/17/22/28/430172228.db2.gz ANKDAFBWJNIDNO-UHFFFAOYSA-N -1 3 314.457 2.869 20 0 DFADHM O=C(Nc1cccc([O-])c1F)c1coc(C2CCOCC2)n1 ZINC000562470295 430135373 /nfs/dbraw/zinc/13/53/73/430135373.db2.gz XIVXGVTVIQZEHA-UHFFFAOYSA-N -1 3 306.293 2.666 20 0 DFADHM COC(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000580610254 430137612 /nfs/dbraw/zinc/13/76/12/430137612.db2.gz CLGRWOYFXKLZQV-GHMZBOCLSA-N -1 3 311.765 2.964 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000531373276 430139338 /nfs/dbraw/zinc/13/93/38/430139338.db2.gz LKAKHXBQTUZZRB-LLVKDONJSA-N -1 3 320.364 2.651 20 0 DFADHM COCc1nsc(=NCCN2CCC3(CCCCC3)CC2)[n-]1 ZINC000562512293 430140486 /nfs/dbraw/zinc/14/04/86/430140486.db2.gz XGGGYJKFIGCDMY-UHFFFAOYSA-N -1 3 324.494 2.565 20 0 DFADHM Cc1nocc1[N-]C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000640485604 430182702 /nfs/dbraw/zinc/18/27/02/430182702.db2.gz JNHQSJCAHFITCM-UHFFFAOYSA-N -1 3 301.224 2.571 20 0 DFADHM C[C@H]1CCN(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000563381507 430183366 /nfs/dbraw/zinc/18/33/66/430183366.db2.gz UIECGUCFXCXUSX-VIFPVBQESA-N -1 3 302.296 2.691 20 0 DFADHM COc1cc(C)c(CN(C)Cc2ncccc2[O-])cc1OC ZINC000581158549 430183460 /nfs/dbraw/zinc/18/34/60/430183460.db2.gz WCGOKPKIJNFQEM-UHFFFAOYSA-N -1 3 302.374 2.745 20 0 DFADHM Cc1ccc(C)c([C@H]2CN(CC3(C(=O)[O-])CC3)[C@H](C)CO2)c1 ZINC000581136800 430180316 /nfs/dbraw/zinc/18/03/16/430180316.db2.gz DQJYSVVNPVUDLM-GDBMZVCRSA-N -1 3 303.402 2.930 20 0 DFADHM COc1nc2ccccc2cc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000563396618 430188298 /nfs/dbraw/zinc/18/82/98/430188298.db2.gz KPFWRHOWQCTPOW-ZDUSSCGKSA-N -1 3 300.358 2.540 20 0 DFADHM COc1ccc([C@H]2CCCN2C(=O)Cc2cncc([O-])c2)cc1 ZINC000581208664 430188948 /nfs/dbraw/zinc/18/89/48/430188948.db2.gz VGHBPMMUNGNIAZ-QGZVFWFLSA-N -1 3 312.369 2.702 20 0 DFADHM COC(=O)c1sc([N-]C(=O)c2cc(C)on2)nc1C(C)(C)C ZINC000173982247 277174486 /nfs/dbraw/zinc/17/44/86/277174486.db2.gz QNSCRMCOABEUFS-UHFFFAOYSA-N -1 3 323.374 2.776 20 0 DFADHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000368795986 277186965 /nfs/dbraw/zinc/18/69/65/277186965.db2.gz UBADEYNFACSPML-UHFFFAOYSA-N -1 3 320.389 2.614 20 0 DFADHM CO[C@@H](C)CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000542076817 430202387 /nfs/dbraw/zinc/20/23/87/430202387.db2.gz PSDPVSZUVWXALE-QMMMGPOBSA-N -1 3 302.168 2.908 20 0 DFADHM COc1cccc(-c2nc(CNC3(C(=O)[O-])CCCC3)co2)c1 ZINC000635014678 430198433 /nfs/dbraw/zinc/19/84/33/430198433.db2.gz CRUVFNRTSBYFEB-UHFFFAOYSA-N -1 3 316.357 2.837 20 0 DFADHM CCCN1CCN(c2nc3ccccc3c(C)c2C(=O)[O-])CC1 ZINC000565307785 430207731 /nfs/dbraw/zinc/20/77/31/430207731.db2.gz OXTUZWKCEGPLEN-UHFFFAOYSA-N -1 3 313.401 2.773 20 0 DFADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(-c2ccc[nH]2)cc1)C1CC1 ZINC000581429339 430208843 /nfs/dbraw/zinc/20/88/43/430208843.db2.gz HYKLTPZGUYAMRQ-MRXNPFEDSA-N -1 3 320.414 2.848 20 0 DFADHM O=C(NCCCc1ccccc1F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565606900 430221576 /nfs/dbraw/zinc/22/15/76/430221576.db2.gz DYVFXLKLDPODGB-UHFFFAOYSA-N -1 3 315.348 2.561 20 0 DFADHM COc1cc(C(=O)N2CC(C)(C)[C@H]2C(C)C)cc(OC)c1[O-] ZINC000293803417 277367626 /nfs/dbraw/zinc/36/76/26/277367626.db2.gz GLKNBNFGSNHVOG-OAHLLOKOSA-N -1 3 307.390 2.916 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CC[C@H](c2cccc(F)c2)C1 ZINC000565752157 430224068 /nfs/dbraw/zinc/22/40/68/430224068.db2.gz TVXKIVDMKWPFJK-LBPRGKRZSA-N -1 3 310.332 2.727 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CC[C@H](c2cccc(F)c2)C1 ZINC000565752157 430224073 /nfs/dbraw/zinc/22/40/73/430224073.db2.gz TVXKIVDMKWPFJK-LBPRGKRZSA-N -1 3 310.332 2.727 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CC[C@H](c2cccc(F)c2)C1 ZINC000565752157 430224076 /nfs/dbraw/zinc/22/40/76/430224076.db2.gz TVXKIVDMKWPFJK-LBPRGKRZSA-N -1 3 310.332 2.727 20 0 DFADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000565516175 430215057 /nfs/dbraw/zinc/21/50/57/430215057.db2.gz FXNZLCAVPMCQSG-ONGXEEELSA-N -1 3 312.329 2.581 20 0 DFADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000565516175 430215059 /nfs/dbraw/zinc/21/50/59/430215059.db2.gz FXNZLCAVPMCQSG-ONGXEEELSA-N -1 3 312.329 2.581 20 0 DFADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000565516175 430215063 /nfs/dbraw/zinc/21/50/63/430215063.db2.gz FXNZLCAVPMCQSG-ONGXEEELSA-N -1 3 312.329 2.581 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN1CCC[C@H]1CCc1ccccc1 ZINC000635300578 430247521 /nfs/dbraw/zinc/24/75/21/430247521.db2.gz UQPYGYXEBHPYMY-HNNXBMFYSA-N -1 3 313.401 2.716 20 0 DFADHM COC(=O)c1cnc(SCCC=Cc2cncc(OC)c2)[n-]1 ZINC000566209618 430248528 /nfs/dbraw/zinc/24/85/28/430248528.db2.gz JJPCSVGSZYLDMX-HYXAFXHYSA-N -1 3 319.386 2.796 20 0 DFADHM C[C@H]1CN(Cc2ncccc2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000581911177 430248863 /nfs/dbraw/zinc/24/88/63/430248863.db2.gz IZESPWOZOAMYEU-YVEFUNNKSA-N -1 3 302.349 2.888 20 0 DFADHM CN(Cc1cc(C(=O)[O-])nn1C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000635310953 430250325 /nfs/dbraw/zinc/25/03/25/430250325.db2.gz LPLSDNMPJXNEFF-WBVHZDCISA-N -1 3 313.401 2.886 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CNCCCCCc1ccccc1 ZINC000635306080 430250689 /nfs/dbraw/zinc/25/06/89/430250689.db2.gz OHRXPHTVJBFIKF-UHFFFAOYSA-N -1 3 301.390 2.621 20 0 DFADHM CC[C@@H](CSc1ccccc1)NCc1cc(C(=O)[O-])nn1C ZINC000635307507 430250924 /nfs/dbraw/zinc/25/09/24/430250924.db2.gz NWZPRDNMIMXYJR-LBPRGKRZSA-N -1 3 319.430 2.779 20 0 DFADHM COc1ccccc1-c1ccc(CNCCOCC(=O)[O-])cc1 ZINC000635316656 430253793 /nfs/dbraw/zinc/25/37/93/430253793.db2.gz MTSMGOYRBGCXCX-UHFFFAOYSA-N -1 3 315.369 2.553 20 0 DFADHM O=C([O-])[C@H]1CCCN(Cc2cnc(-c3ccncc3)s2)C1 ZINC000635322427 430255381 /nfs/dbraw/zinc/25/53/81/430255381.db2.gz HFSMLCXUVIUVJY-LBPRGKRZSA-N -1 3 303.387 2.502 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cn1 ZINC000543937043 430269044 /nfs/dbraw/zinc/26/90/44/430269044.db2.gz ZFQAESJNLWITRL-UHFFFAOYSA-N -1 3 314.341 2.833 20 0 DFADHM COc1ccc(Br)cc1C(=O)Nc1ncccc1[O-] ZINC000544023639 430270429 /nfs/dbraw/zinc/27/04/29/430270429.db2.gz DSWPCOKQSHONAL-UHFFFAOYSA-N -1 3 323.146 2.811 20 0 DFADHM Cc1ncc(CNC(=O)NCC[C@H]2CCC[C@H](C)C2)c(=O)[n-]1 ZINC000544132126 430274148 /nfs/dbraw/zinc/27/41/48/430274148.db2.gz NIEYPVGSURVSGU-WCQYABFASA-N -1 3 306.410 2.506 20 0 DFADHM Cc1nc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)sc1C ZINC000582186723 430277130 /nfs/dbraw/zinc/27/71/30/430277130.db2.gz NQGWPLURWVGKEP-QGZVFWFLSA-N -1 3 316.426 2.988 20 0 DFADHM C[C@@]1(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CCCCO1 ZINC000582227970 430280443 /nfs/dbraw/zinc/28/04/43/430280443.db2.gz YJQPCXGKHCCQER-HNNXBMFYSA-N -1 3 322.315 2.648 20 0 DFADHM C[C@@]1(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CCCCO1 ZINC000582227970 430280445 /nfs/dbraw/zinc/28/04/45/430280445.db2.gz YJQPCXGKHCCQER-HNNXBMFYSA-N -1 3 322.315 2.648 20 0 DFADHM C[C@@]1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCCCO1 ZINC000582227970 430280448 /nfs/dbraw/zinc/28/04/48/430280448.db2.gz YJQPCXGKHCCQER-HNNXBMFYSA-N -1 3 322.315 2.648 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)ccc2[O-])cn1 ZINC000543008554 430233777 /nfs/dbraw/zinc/23/37/77/430233777.db2.gz WVFCPJUYMJDULK-UHFFFAOYSA-N -1 3 300.314 2.525 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@H]1CCc2sc(Cl)cc21 ZINC000565982031 430235217 /nfs/dbraw/zinc/23/52/17/430235217.db2.gz AESNGSAIPGTKEG-VIFPVBQESA-N -1 3 323.805 2.989 20 0 DFADHM O=c1cc(-c2noc([C@@H]3C[C@]34CCc3ccccc34)n2)nc[n-]1 ZINC000581824076 430240577 /nfs/dbraw/zinc/24/05/77/430240577.db2.gz VPIIMMGBMVGFGU-SJCJKPOMSA-N -1 3 306.325 2.604 20 0 DFADHM CCc1cc(C[N-]S(=O)(=O)CC23CCC(CC2)CC3)on1 ZINC000582941724 430348843 /nfs/dbraw/zinc/34/88/43/430348843.db2.gz FROSZDRSEPTGTB-UHFFFAOYSA-N -1 3 312.435 2.627 20 0 DFADHM [O-]c1cc2c(cc1-c1nc(Cc3ccncn3)no1)CCCC2 ZINC000545090268 430299989 /nfs/dbraw/zinc/29/99/89/430299989.db2.gz OWQWTHWKDBAAOA-UHFFFAOYSA-N -1 3 308.341 2.702 20 0 DFADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)ncn2)c(F)c1F ZINC000545184345 430304125 /nfs/dbraw/zinc/30/41/25/430304125.db2.gz YXPIQOOTWYAXOJ-UHFFFAOYSA-N -1 3 309.247 2.657 20 0 DFADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc(C(=O)OC)c1F ZINC000567998191 430304048 /nfs/dbraw/zinc/30/40/48/430304048.db2.gz FWDQQNYYXOTYNP-JTQLQIEISA-N -1 3 317.382 2.933 20 0 DFADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc(C(=O)OC)c1F ZINC000567998192 430304426 /nfs/dbraw/zinc/30/44/26/430304426.db2.gz FWDQQNYYXOTYNP-SNVBAGLBSA-N -1 3 317.382 2.933 20 0 DFADHM O=S(=O)([N-]Cc1cc2c(s1)CCCC2)c1cscn1 ZINC000582484151 430305268 /nfs/dbraw/zinc/30/52/68/430305268.db2.gz QCKZOEGDRJQFNR-UHFFFAOYSA-N -1 3 314.457 2.562 20 0 DFADHM Cc1nc(C)c(CCC(=O)Nc2nc(C(C)(C)C)co2)c(=O)[n-]1 ZINC000582554393 430310503 /nfs/dbraw/zinc/31/05/03/430310503.db2.gz LFQNBTRZSMPSRR-UHFFFAOYSA-N -1 3 318.377 2.656 20 0 DFADHM Cc1csc([C@H]2CCCN([C@@H](C(=O)[O-])c3cccnc3)C2)n1 ZINC000568061771 430311385 /nfs/dbraw/zinc/31/13/85/430311385.db2.gz QSADWZCWPGJQGD-UONOGXRCSA-N -1 3 317.414 2.852 20 0 DFADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cn3ccccc3n2)C1 ZINC000568074047 430312460 /nfs/dbraw/zinc/31/24/60/430312460.db2.gz VAJACCNCAYWSFE-IBGZPJMESA-N -1 3 321.380 2.563 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000582567417 430312468 /nfs/dbraw/zinc/31/24/68/430312468.db2.gz ZVUIHSBBAGBEED-ABKXIKBNSA-N -1 3 317.316 2.792 20 0 DFADHM O=C([O-])c1cccc(OCCN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000568066898 430313339 /nfs/dbraw/zinc/31/33/39/430313339.db2.gz GQZYKGJKOWXNEZ-QGZVFWFLSA-N -1 3 319.401 2.655 20 0 DFADHM Cc1ccc(-c2cn(Cc3cc(=O)[n-]c(C4CC4)n3)nn2)cc1 ZINC000641048668 430313716 /nfs/dbraw/zinc/31/37/16/430313716.db2.gz XKYGCAMQLKEPGY-UHFFFAOYSA-N -1 3 307.357 2.675 20 0 DFADHM CC(C)(O)CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000582701726 430324480 /nfs/dbraw/zinc/32/44/80/430324480.db2.gz OYPANNIJEJHDOF-UHFFFAOYSA-N -1 3 302.168 2.644 20 0 DFADHM O=C(c1cc(F)c[n-]c1=O)N(CC1CCC1)CC(F)(F)F ZINC000635652109 430335203 /nfs/dbraw/zinc/33/52/03/430335203.db2.gz IHZJPXTWUKVRLT-UHFFFAOYSA-N -1 3 306.259 2.731 20 0 DFADHM CCCc1ncc(C[N-]S(=O)(=O)c2sc(C)cc2C)o1 ZINC000582946061 430348435 /nfs/dbraw/zinc/34/84/35/430348435.db2.gz BUBSVVWGMFCNIT-UHFFFAOYSA-N -1 3 314.432 2.784 20 0 DFADHM CC(=O)c1cccc(NC(=O)C2(c3cc(C)no3)CC2)c1[O-] ZINC000635929620 430413603 /nfs/dbraw/zinc/41/36/03/430413603.db2.gz LLWDWCYKGQKHOR-UHFFFAOYSA-N -1 3 300.314 2.562 20 0 DFADHM CCc1cccc(C(=O)Nc2ccc(OC3COC3)cc2)c1[O-] ZINC000547738677 430416978 /nfs/dbraw/zinc/41/69/78/430416978.db2.gz AVRXFJPNHVXALU-UHFFFAOYSA-N -1 3 313.353 2.985 20 0 DFADHM Cc1ccc([O-])c(CN2CCC([C@](C)(O)C(F)(F)F)CC2)n1 ZINC000546658464 430361094 /nfs/dbraw/zinc/36/10/94/430361094.db2.gz ZPJIXKJXAWCVKB-AWEZNQCLSA-N -1 3 318.339 2.621 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000546659892 430363174 /nfs/dbraw/zinc/36/31/74/430363174.db2.gz KKEHHYBHFKVMMC-SJLPKXTDSA-N -1 3 303.402 2.890 20 0 DFADHM Cc1ccc(C2CC2)c(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000568503543 430364050 /nfs/dbraw/zinc/36/40/50/430364050.db2.gz KLRKLUGHZGZGAZ-UHFFFAOYSA-N -1 3 321.384 3.248 20 0 DFADHM Cc1ccc(C2CC2)c(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000568503543 430364052 /nfs/dbraw/zinc/36/40/52/430364052.db2.gz KLRKLUGHZGZGAZ-UHFFFAOYSA-N -1 3 321.384 3.248 20 0 DFADHM O=C(CC1CCN(CC(F)F)CC1)Nc1cccc([O-])c1F ZINC000635742874 430365528 /nfs/dbraw/zinc/36/55/28/430365528.db2.gz FBDKMUXTSLINLP-UHFFFAOYSA-N -1 3 316.323 2.837 20 0 DFADHM Cc1c2ccccc2nc(CN(C)C[C@H]2CCOC2)c1C(=O)[O-] ZINC000568522099 430367473 /nfs/dbraw/zinc/36/74/73/430367473.db2.gz QDTBKDVHKLIEJS-CYBMUJFWSA-N -1 3 314.385 2.710 20 0 DFADHM CC1(C)[C@@H](CS(=O)(=O)[N-]Cc2ccc(Cl)o2)C1(F)F ZINC000641258025 430370431 /nfs/dbraw/zinc/37/04/31/430370431.db2.gz MIMXAFCHHDWZRM-MRVPVSSYSA-N -1 3 313.753 2.644 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)C[C@@]2(C)CC2(F)F)o1 ZINC000641285946 430376037 /nfs/dbraw/zinc/37/60/37/430376037.db2.gz NGESEEUOHFQJCG-SUZMYJTESA-N -1 3 319.373 2.868 20 0 DFADHM Cc1oc([C@H](C)N2CC[C@@H](COC(F)F)C2)cc1C(=O)[O-] ZINC000568650010 430379080 /nfs/dbraw/zinc/37/90/80/430379080.db2.gz XNXSZCLQWCMICE-WCBMZHEXSA-N -1 3 303.305 2.908 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)C[C@H]1C(C)(C)C1(F)F)c1nccs1 ZINC000641337904 430385787 /nfs/dbraw/zinc/38/57/87/430385787.db2.gz PBBQWKAZMFKIRR-BDAKNGLRSA-N -1 3 324.418 2.805 20 0 DFADHM CC[C@](C)([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)c1nccs1 ZINC000641346253 430387270 /nfs/dbraw/zinc/38/72/70/430387270.db2.gz HBCBGBAPRSZOOZ-QWRGUYRKSA-N -1 3 324.418 2.733 20 0 DFADHM CCCCn1c(=O)[n-]nc1SCCc1nc2ccccc2[nH]1 ZINC000641419625 430397581 /nfs/dbraw/zinc/39/75/81/430397581.db2.gz NZXYHJKCZIPBMU-UHFFFAOYSA-N -1 3 317.418 2.995 20 0 DFADHM COc1ccc([C@H]([N-]S(=O)(=O)c2cscn2)C2CC2)cc1 ZINC000568860739 430399070 /nfs/dbraw/zinc/39/90/70/430399070.db2.gz GRMQPPADYYXCKX-CQSZACIVSA-N -1 3 324.427 2.581 20 0 DFADHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000568889523 430403928 /nfs/dbraw/zinc/40/39/28/430403928.db2.gz LKGKRLKNRAPENX-JOYOIKCWSA-N -1 3 323.817 2.555 20 0 DFADHM CCc1cccc(C(=O)NCc2nccc(C(F)F)n2)c1[O-] ZINC000583557019 430405743 /nfs/dbraw/zinc/40/57/43/430405743.db2.gz MSSRXPZYSCYGDL-UHFFFAOYSA-N -1 3 307.300 2.612 20 0 DFADHM Cc1ncc(CN2CCC[C@H](CC(=O)[O-])C2)n1-c1ccccc1 ZINC000568962376 430409844 /nfs/dbraw/zinc/40/98/44/430409844.db2.gz MKSJNIOLNRFRHY-OAHLLOKOSA-N -1 3 313.401 2.867 20 0 DFADHM O=S(=O)(CCC1CCCC1)[N-]c1ccccc1-n1cncn1 ZINC000641680048 430439930 /nfs/dbraw/zinc/43/99/30/430439930.db2.gz JIEOWOPLXPRNFB-UHFFFAOYSA-N -1 3 320.418 2.589 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(c1nc(C3CCCC3)ns1)C2 ZINC000641686714 430443075 /nfs/dbraw/zinc/44/30/75/430443075.db2.gz BRJLPZIXTKUPNE-UHFFFAOYSA-N -1 3 303.391 2.520 20 0 DFADHM O=S(=O)([N-]C12CC(c3ccccc3)(C1)C2)c1ccccc1F ZINC000641696142 430443163 /nfs/dbraw/zinc/44/31/63/430443163.db2.gz HCAYHFBJFDJHRD-UHFFFAOYSA-N -1 3 317.385 2.978 20 0 DFADHM COCC1(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)CC1 ZINC000641686411 430444288 /nfs/dbraw/zinc/44/42/88/430444288.db2.gz WGPBGQYIBKFZAX-UHFFFAOYSA-N -1 3 322.386 2.571 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccc2c(Cl)ccnc21)C(F)F ZINC000641707057 430447029 /nfs/dbraw/zinc/44/70/29/430447029.db2.gz YPSGVTHVLWABJR-ZETCQYMHSA-N -1 3 320.748 2.820 20 0 DFADHM CCOc1cc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)ccc1C ZINC000569485504 430459788 /nfs/dbraw/zinc/45/97/88/430459788.db2.gz JGQZWRHZTLEGFE-OAHLLOKOSA-N -1 3 313.419 2.560 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)CCCc1ccc(C)s1 ZINC000584240199 430472360 /nfs/dbraw/zinc/47/23/60/430472360.db2.gz ZQIIZDAJWMMBLB-UHFFFAOYSA-N -1 3 307.375 2.528 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)CCCc1ccc(C)s1 ZINC000584240199 430472363 /nfs/dbraw/zinc/47/23/63/430472363.db2.gz ZQIIZDAJWMMBLB-UHFFFAOYSA-N -1 3 307.375 2.528 20 0 DFADHM O=C([O-])C[C@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000641795101 430474558 /nfs/dbraw/zinc/47/45/58/430474558.db2.gz DWMHBMVLSPTMBO-XJKSGUPXSA-N -1 3 316.401 2.517 20 0 DFADHM O=C([O-])C[C@@H]1CCCN(Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641792353 430475103 /nfs/dbraw/zinc/47/51/03/430475103.db2.gz SAHFRXYOECYFTL-JTQLQIEISA-N -1 3 313.300 2.695 20 0 DFADHM Cc1nc(-c2ccccc2)oc1CN1CCC(C(=O)[O-])CC1 ZINC000641792693 430475152 /nfs/dbraw/zinc/47/51/52/430475152.db2.gz WNHJCGKSSOMBCD-UHFFFAOYSA-N -1 3 300.358 2.947 20 0 DFADHM C[C@H](C(=O)[O-])N(Cc1ccn(-c2ccc(F)cc2)n1)C1CCC1 ZINC000583705412 430423109 /nfs/dbraw/zinc/42/31/09/430423109.db2.gz ZHBFBBLUAUKDJF-GFCCVEGCSA-N -1 3 317.364 2.839 20 0 DFADHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cccs1 ZINC000641597716 430425961 /nfs/dbraw/zinc/42/59/61/430425961.db2.gz DYDSMVWAJWFDDX-UHFFFAOYSA-N -1 3 300.405 2.646 20 0 DFADHM O=S(=O)([N-]CC1CSC1)c1c(Cl)cccc1Cl ZINC000641613169 430429143 /nfs/dbraw/zinc/42/91/43/430429143.db2.gz NFSQWXPQGAZZAP-UHFFFAOYSA-N -1 3 312.243 2.635 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2cnn(C(C)C)c2)cc1[O-] ZINC000569789684 430485091 /nfs/dbraw/zinc/48/50/91/430485091.db2.gz RNSIOWABXMKBEQ-LLVKDONJSA-N -1 3 315.373 2.863 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c1 ZINC000569899952 430495248 /nfs/dbraw/zinc/49/52/48/430495248.db2.gz MXERMSMFBFVKMV-UHFFFAOYSA-N -1 3 301.355 2.923 20 0 DFADHM CCOc1nc2cc(C(=O)NCC[C@H]3CCCCO3)ccc2[n-]1 ZINC000548744689 430498108 /nfs/dbraw/zinc/49/81/08/430498108.db2.gz SYBNXABZESTVJE-CYBMUJFWSA-N -1 3 317.389 2.651 20 0 DFADHM CCOc1nc2ccc(C(=O)NCC[C@H]3CCCCO3)cc2[n-]1 ZINC000548744689 430498112 /nfs/dbraw/zinc/49/81/12/430498112.db2.gz SYBNXABZESTVJE-CYBMUJFWSA-N -1 3 317.389 2.651 20 0 DFADHM C[C@H](CNc1ncccc1C(=O)[O-])N1CCc2ccccc2C1 ZINC000642093330 430498750 /nfs/dbraw/zinc/49/87/50/430498750.db2.gz KCPLSXGXBWCVGE-CYBMUJFWSA-N -1 3 311.385 2.639 20 0 DFADHM COCCCN(C)Cc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000569933970 430500026 /nfs/dbraw/zinc/50/00/26/430500026.db2.gz BSGRZYXPUCYPFM-UHFFFAOYSA-N -1 3 302.374 2.710 20 0 DFADHM CCCc1ccc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)s1 ZINC000636282347 430502335 /nfs/dbraw/zinc/50/23/35/430502335.db2.gz IWUKKTFPWLSKRZ-UHFFFAOYSA-N -1 3 303.387 2.661 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c([O-])c1 ZINC000642200041 430504071 /nfs/dbraw/zinc/50/40/71/430504071.db2.gz CPKYGTKSGGTASW-ZDUSSCGKSA-N -1 3 316.401 2.820 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cccc(C(F)F)c1F)C2 ZINC000636289170 430504962 /nfs/dbraw/zinc/50/49/62/430504962.db2.gz QXVNHZMOSYPALL-UHFFFAOYSA-N -1 3 323.274 2.723 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C/C=C/Cc1ccccc1)C2 ZINC000636294135 430505761 /nfs/dbraw/zinc/50/57/61/430505761.db2.gz KHFAQUVUZOHUGI-AATRIKPKSA-N -1 3 309.369 2.522 20 0 DFADHM C[C@@]1(c2ccccc2)CCN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000548869070 430507512 /nfs/dbraw/zinc/50/75/12/430507512.db2.gz VZZGKXQXSBRJNH-GOSISDBHSA-N -1 3 324.359 2.901 20 0 DFADHM C[C@@]1(c2ccccc2)CCN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000548869070 430507516 /nfs/dbraw/zinc/50/75/16/430507516.db2.gz VZZGKXQXSBRJNH-GOSISDBHSA-N -1 3 324.359 2.901 20 0 DFADHM C[C@@]1(c2ccccc2)CCN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000548869070 430507518 /nfs/dbraw/zinc/50/75/18/430507518.db2.gz VZZGKXQXSBRJNH-GOSISDBHSA-N -1 3 324.359 2.901 20 0 DFADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccnc1C1CC1 ZINC000636320058 430512373 /nfs/dbraw/zinc/51/23/73/430512373.db2.gz COOSVTXMBWFZON-UHFFFAOYSA-N -1 3 324.384 2.652 20 0 DFADHM CS[C@H]1CCC[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000570090487 430513470 /nfs/dbraw/zinc/51/34/70/430513470.db2.gz KFAOWQYQTVTFQS-RYUDHWBXSA-N -1 3 316.430 2.876 20 0 DFADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H]1CC12CCCC2 ZINC000636319308 430513525 /nfs/dbraw/zinc/51/35/25/430513525.db2.gz MBRNPTXGEODVGX-ZDUSSCGKSA-N -1 3 301.390 2.646 20 0 DFADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(F)(F)F ZINC000548979792 430513976 /nfs/dbraw/zinc/51/39/76/430513976.db2.gz FFWLZOCMRIRWFR-UHFFFAOYSA-N -1 3 317.279 2.832 20 0 DFADHM CCCCS(=O)(=O)[N-]Cc1nc(C2CCCCCC2)no1 ZINC000570162065 430517982 /nfs/dbraw/zinc/51/79/82/430517982.db2.gz FJYHVXVMLLXQIP-UHFFFAOYSA-N -1 3 315.439 2.727 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cccc2ccc(C)nc21)C(F)F ZINC000570159527 430518542 /nfs/dbraw/zinc/51/85/42/430518542.db2.gz WJTFCKDTKCRLEN-NSHDSACASA-N -1 3 314.357 2.865 20 0 DFADHM O=C(COc1ccc2c([O-])coc2c1)NCCC1=CCCCC1 ZINC000642608549 430520222 /nfs/dbraw/zinc/52/02/22/430520222.db2.gz GTGGVZVKDQHQJH-UHFFFAOYSA-N -1 3 315.369 2.647 20 0 DFADHM Cc1cc(OCC(=O)N2CCc3ccccc32)cc2occ([O-])c21 ZINC000642609940 430521237 /nfs/dbraw/zinc/52/12/37/430521237.db2.gz GIEKPGUIMVBPFT-UHFFFAOYSA-N -1 3 323.348 2.538 20 0 DFADHM Cc1cccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)c1[O-] ZINC000636352731 430521866 /nfs/dbraw/zinc/52/18/66/430521866.db2.gz LXEVKYPZAMOQPC-SNVBAGLBSA-N -1 3 305.359 2.656 20 0 DFADHM CCc1ncc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)s1 ZINC000636351893 430522010 /nfs/dbraw/zinc/52/20/10/430522010.db2.gz GYAIUYIOPCUIOL-ZETCQYMHSA-N -1 3 310.404 2.661 20 0 DFADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1occ2c1CCC2 ZINC000636359559 430523207 /nfs/dbraw/zinc/52/32/07/430523207.db2.gz ZOEFYOWHBKCORP-JTQLQIEISA-N -1 3 305.359 2.724 20 0 DFADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1ncccc1Cl ZINC000636359154 430523597 /nfs/dbraw/zinc/52/35/97/430523597.db2.gz WEKIZURAWBNYMT-QMMMGPOBSA-N -1 3 310.766 2.690 20 0 DFADHM COc1cccc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])n1 ZINC000570337996 430534929 /nfs/dbraw/zinc/53/49/29/430534929.db2.gz KXEFKIVOKMSZBL-CQSZACIVSA-N -1 3 314.385 2.813 20 0 DFADHM COc1cccc(CN2CCC[C@@H](CC(=O)[O-])CC2)c1OC ZINC000641814970 430482252 /nfs/dbraw/zinc/48/22/52/430482252.db2.gz YGSIZKBNEXXBLH-CYBMUJFWSA-N -1 3 307.390 2.781 20 0 DFADHM O=c1cc(CN2CCC(=O)CC23CCC3)nc(-c2ccccc2)[n-]1 ZINC000570579711 430555906 /nfs/dbraw/zinc/55/59/06/430555906.db2.gz BMOYYYMJDCVXAX-UHFFFAOYSA-N -1 3 323.396 2.937 20 0 DFADHM CC(C)n1ncc2cc(CN(C[C@@H](C)C(=O)[O-])C3CC3)cnc21 ZINC000570576904 430556640 /nfs/dbraw/zinc/55/66/40/430556640.db2.gz NFZYDMCOJUDIJF-GFCCVEGCSA-N -1 3 316.405 2.697 20 0 DFADHM CC[C@@](C)(OC)C(=O)Nc1ccc(Br)cc1[O-] ZINC000570660197 430562707 /nfs/dbraw/zinc/56/27/07/430562707.db2.gz CHGURXSNOHIUDZ-GFCCVEGCSA-N -1 3 302.168 2.908 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])NC1(C2CC2)CC1 ZINC000551847529 430564871 /nfs/dbraw/zinc/56/48/71/430564871.db2.gz SACGZGWIERUKGD-UHFFFAOYSA-N -1 3 310.191 2.756 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-]C23CCC(CC2)CC3)s1 ZINC000570668683 430564966 /nfs/dbraw/zinc/56/49/66/430564966.db2.gz NPAJLXWLOLRNGC-UHFFFAOYSA-N -1 3 300.449 2.707 20 0 DFADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1Cc1ccccc1)c1cscn1 ZINC000570714439 430569812 /nfs/dbraw/zinc/56/98/12/430569812.db2.gz MTYBJOYWDCHOEE-ZIAGYGMSSA-N -1 3 322.455 2.833 20 0 DFADHM CCc1cc(CCCN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)on1 ZINC000570729721 430571132 /nfs/dbraw/zinc/57/11/32/430571132.db2.gz QDCXLGKRJYYIFR-ZDUSSCGKSA-N -1 3 320.311 2.509 20 0 DFADHM O=C(Cc1cncc([O-])c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000570738858 430572995 /nfs/dbraw/zinc/57/29/95/430572995.db2.gz NKMXZZCKIBROQM-INIZCTEOSA-N -1 3 322.368 2.570 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCc1ccc(C)s1 ZINC000570770109 430574122 /nfs/dbraw/zinc/57/41/22/430574122.db2.gz LMETYZQYYDGUBJ-UHFFFAOYSA-N -1 3 321.402 2.836 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCc1ccc(C)s1 ZINC000570770109 430574126 /nfs/dbraw/zinc/57/41/26/430574126.db2.gz LMETYZQYYDGUBJ-UHFFFAOYSA-N -1 3 321.402 2.836 20 0 DFADHM C[C@H]1CCN(C(=O)c2cnc(C3CC3)nc2N)c2c([O-])cccc21 ZINC000613576044 430576245 /nfs/dbraw/zinc/57/62/45/430576245.db2.gz HELLHKONJXMVLW-JTQLQIEISA-N -1 3 324.384 2.796 20 0 DFADHM CC[C@H](CC(F)(F)F)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615135314 430579599 /nfs/dbraw/zinc/57/95/99/430579599.db2.gz FTCNLHMYRXHKDF-SSDOTTSWSA-N -1 3 301.268 3.186 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000571022896 430596095 /nfs/dbraw/zinc/59/60/95/430596095.db2.gz ADRDQWBCZMVZEN-UHFFFAOYSA-N -1 3 308.337 2.805 20 0 DFADHM CC[C@@]1(CO)CCCN(c2c(C(=O)[O-])cnc3ccccc32)C1 ZINC000571807575 430655373 /nfs/dbraw/zinc/65/53/73/430655373.db2.gz YHUKXSTXNYZHKF-GOSISDBHSA-N -1 3 314.385 2.922 20 0 DFADHM CCCCO[C@@H]1C[C@H](N(C)C(=O)Cc2cncc([O-])c2)C1(C)C ZINC000553497563 430618496 /nfs/dbraw/zinc/61/84/96/430618496.db2.gz SOPKYBRSVPJBGQ-JKSUJKDBSA-N -1 3 320.433 2.772 20 0 DFADHM O=C(Cc1cncc([O-])c1)N1CCc2c1cccc2C(F)(F)F ZINC000553555423 430619201 /nfs/dbraw/zinc/61/92/01/430619201.db2.gz HGDYLLFCTNNJJQ-UHFFFAOYSA-N -1 3 322.286 2.938 20 0 DFADHM Cc1cc(C)cc(OCC(=O)[N-]c2nncn2-c2ccccc2)c1 ZINC000553857251 430624724 /nfs/dbraw/zinc/62/47/24/430624724.db2.gz VEDZHOUBBPATRP-UHFFFAOYSA-N -1 3 322.368 2.902 20 0 DFADHM Cc1ccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)nc1 ZINC000571449554 430629161 /nfs/dbraw/zinc/62/91/61/430629161.db2.gz UZYDPIRSBNGIEQ-UHFFFAOYSA-N -1 3 312.369 2.739 20 0 DFADHM O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ncccc2[O-])C1 ZINC000571483250 430630373 /nfs/dbraw/zinc/63/03/73/430630373.db2.gz PZGMQTJKYUTMBH-AWEZNQCLSA-N -1 3 311.385 2.638 20 0 DFADHM O=C(Nc1ccccc1)[C@H]1CCCN(Cc2ncccc2[O-])C1 ZINC000571483250 430630376 /nfs/dbraw/zinc/63/03/76/430630376.db2.gz PZGMQTJKYUTMBH-AWEZNQCLSA-N -1 3 311.385 2.638 20 0 DFADHM [O-]c1cccc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1Cl ZINC000639387222 430631158 /nfs/dbraw/zinc/63/11/58/430631158.db2.gz TXUISGPYFAXDHF-VHSXEESVSA-N -1 3 309.715 2.648 20 0 DFADHM Cc1ccccc1OCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000643894665 430641002 /nfs/dbraw/zinc/64/10/02/430641002.db2.gz PGXZHIIRNWTNJC-UHFFFAOYSA-N -1 3 307.313 2.895 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)CC1CCCCC1)C(=O)OC(C)(C)C ZINC000555351147 430666199 /nfs/dbraw/zinc/66/61/99/430666199.db2.gz QGJJTUAYSNPRLY-CYBMUJFWSA-N -1 3 319.467 2.606 20 0 DFADHM Cc1oc(CN(C)C[C@@H](O)[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000572250279 430678230 /nfs/dbraw/zinc/67/82/30/430678230.db2.gz MFTQBLLCPTWYJZ-YVEFUNNKSA-N -1 3 317.385 2.883 20 0 DFADHM CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cncc([O-])c1 ZINC000572256712 430678704 /nfs/dbraw/zinc/67/87/04/430678704.db2.gz UGSZQDRGKZEGKB-UHFFFAOYSA-N -1 3 309.369 2.640 20 0 DFADHM Cc1ccc2nc(CN(C)[C@@H](Cc3ccccc3)C(=O)[O-])cn2c1 ZINC000571928736 430662477 /nfs/dbraw/zinc/66/24/77/430662477.db2.gz DXWOUNOJFYXBCK-KRWDZBQOSA-N -1 3 323.396 2.770 20 0 DFADHM CC(=O)N1CC[C@H](NC(=O)c2ccc([O-])c(C)c2)c2ccccc21 ZINC000354574052 278055317 /nfs/dbraw/zinc/05/53/17/278055317.db2.gz ONMSXLBHNQKRDA-INIZCTEOSA-N -1 3 324.380 2.928 20 0 DFADHM Cc1nc(COC(C)(C)C)oc1C(=O)[N-]c1ccncc1F ZINC000572410151 430686134 /nfs/dbraw/zinc/68/61/34/430686134.db2.gz PLJVCMLOTANLQF-UHFFFAOYSA-N -1 3 307.325 2.506 20 0 DFADHM C[C@@H]1CN(C(=O)c2c([O-])cccc2O)C[C@@H](c2ccccc2)O1 ZINC000125732206 288012319 /nfs/dbraw/zinc/01/23/19/288012319.db2.gz OQHOWAHMPDYLLY-WBMJQRKESA-N -1 3 313.353 2.700 20 0 DFADHM O=C(NCC[C@H]1CCc2ccccc21)c1ccc2n[n-]nc2c1 ZINC000572593024 430691560 /nfs/dbraw/zinc/69/15/60/430691560.db2.gz SXCSVASOXWODMR-CYBMUJFWSA-N -1 3 306.369 2.808 20 0 DFADHM CSc1nnc(NC(=O)[C@@H]2SCCc3sccc32)[n-]1 ZINC000266262998 278180979 /nfs/dbraw/zinc/18/09/79/278180979.db2.gz FESSHTQIHQVEDP-MRVPVSSYSA-N -1 3 312.445 2.557 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H]2SCCc3sccc32)n1 ZINC000266262998 278180980 /nfs/dbraw/zinc/18/09/80/278180980.db2.gz FESSHTQIHQVEDP-MRVPVSSYSA-N -1 3 312.445 2.557 20 0 DFADHM CSc1nc(NC(=O)[C@@H]2SCCc3sccc32)n[n-]1 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289301020 /nfs/dbraw/zinc/30/10/20/289301020.db2.gz FRSQXBQGQHMVDL-QWHCGFSZSA-N -1 3 320.458 2.670 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@H]2C)s1 ZINC000288611206 293243650 /nfs/dbraw/zinc/24/36/50/293243650.db2.gz KYSKRDUUSVKWLS-TVQRCGJNSA-N -1 3 324.427 2.560 20 0 DFADHM COC(=O)C1(NC(=O)c2cc(C)ccc2[O-])CCC(C)CC1 ZINC000436487108 297006128 /nfs/dbraw/zinc/00/61/28/297006128.db2.gz SJIXIWNUCFVMPH-UHFFFAOYSA-N -1 3 305.374 2.552 20 0 DFADHM COC(=O)[C@H](C)CN(C(=O)c1ccc(C(C)C)cc1[O-])C1CC1 ZINC000436535789 297009932 /nfs/dbraw/zinc/00/99/32/297009932.db2.gz OPCQMTJBCWWPJS-GFCCVEGCSA-N -1 3 319.401 2.929 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436523970 297008974 /nfs/dbraw/zinc/00/89/74/297008974.db2.gz XLFAUWQBSIBPEX-GHMZBOCLSA-N -1 3 312.360 2.663 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCn3c4ccccc4nc32)cc1[O-] ZINC000436524399 297009108 /nfs/dbraw/zinc/00/91/08/297009108.db2.gz HLCBCPGYDLCSTG-UHFFFAOYSA-N -1 3 321.336 2.605 20 0 DFADHM C[C@@H](CNC(=O)c1cc2c(cc1[O-])CCCC2)Cn1ccnc1 ZINC000436528001 297009469 /nfs/dbraw/zinc/00/94/69/297009469.db2.gz JUIOQRSSJYDCON-ZDUSSCGKSA-N -1 3 313.401 2.534 20 0 DFADHM C[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCCC[C@H]1C ZINC000436529235 297009503 /nfs/dbraw/zinc/00/95/03/297009503.db2.gz KJWKQTZGTUSTKF-GHMZBOCLSA-N -1 3 312.360 2.663 20 0 DFADHM CCOC(=O)C[C@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000436542950 297010396 /nfs/dbraw/zinc/01/03/96/297010396.db2.gz BXIJIRPEYPOFPF-HNNXBMFYSA-N -1 3 313.353 2.817 20 0 DFADHM Cc1ccc(C(=O)N[C@H](C)COCC(F)(F)F)c([O-])c1C ZINC000436541833 297010583 /nfs/dbraw/zinc/01/05/83/297010583.db2.gz ZCARCJJDFVFXBL-SECBINFHSA-N -1 3 305.296 2.706 20 0 DFADHM COC(=O)[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])c1ccccc1 ZINC000436539410 297010675 /nfs/dbraw/zinc/01/06/75/297010675.db2.gz YFBAKGYRQZLIPA-HNNXBMFYSA-N -1 3 313.353 2.653 20 0 DFADHM Cc1cccc(C(=O)NCc2cccc(-n3ccnc3)c2)c1[O-] ZINC000436544090 297010929 /nfs/dbraw/zinc/01/09/29/297010929.db2.gz 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O=C(NCCCc1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000436585527 297015180 /nfs/dbraw/zinc/01/51/80/297015180.db2.gz MIKFZODRPHSQSF-UHFFFAOYSA-N -1 3 313.353 2.526 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 ZINC000436591091 297015591 /nfs/dbraw/zinc/01/55/91/297015591.db2.gz VIDWPYHIMCYKBG-XJKSGUPXSA-N -1 3 324.380 2.624 20 0 DFADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])n(Cc2ccccn2)n1 ZINC000436588396 297015751 /nfs/dbraw/zinc/01/57/51/297015751.db2.gz SVPUFJDQQQYANU-UHFFFAOYSA-N -1 3 322.368 2.901 20 0 DFADHM Cc1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)c([O-])c1 ZINC000436597539 297016825 /nfs/dbraw/zinc/01/68/25/297016825.db2.gz QIHFBOSZNBQOBC-ZDUSSCGKSA-N -1 3 313.353 2.661 20 0 DFADHM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000436596749 297016842 /nfs/dbraw/zinc/01/68/42/297016842.db2.gz RQCZXCHTYDFCQY-OALUTQOASA-N -1 3 323.392 2.659 20 0 DFADHM CC(C)c1ccc(C(=O)NCCOc2ncccc2F)c([O-])c1 ZINC000436599631 297017097 /nfs/dbraw/zinc/01/70/97/297017097.db2.gz FGGXQAISPHHYDA-UHFFFAOYSA-N -1 3 318.348 2.859 20 0 DFADHM COCCN(C[C@@H]1CC=CCC1)C(=O)c1ccc(OC)cc1[O-] ZINC000436599890 297017416 /nfs/dbraw/zinc/01/74/16/297017416.db2.gz DUVAKBLIKALAAU-CQSZACIVSA-N -1 3 319.401 2.846 20 0 DFADHM CNC(=O)Nc1cc(NC(=O)c2cc(C)ccc2[O-])ccc1F ZINC000436606497 297017648 /nfs/dbraw/zinc/01/76/48/297017648.db2.gz QTCFSEPQTJWRNS-UHFFFAOYSA-N -1 3 317.320 2.843 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c([O-])c1 ZINC000436606456 297017745 /nfs/dbraw/zinc/01/77/45/297017745.db2.gz RBRKLNSZHGCWFB-CGTJXYLNSA-N -1 3 309.365 2.859 20 0 DFADHM CCC(CC)[C@H](CCNC(=O)c1cc(OC)ccc1[O-])OC ZINC000436607606 297017865 /nfs/dbraw/zinc/01/78/65/297017865.db2.gz OQYJKLUPMHALLN-INIZCTEOSA-N -1 3 309.406 2.972 20 0 DFADHM Cc1n[nH]cc1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436615962 297018152 /nfs/dbraw/zinc/01/81/52/297018152.db2.gz CDXOMGAZNPRBTH-UHFFFAOYSA-N -1 3 321.380 2.945 20 0 DFADHM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000436615709 297018224 /nfs/dbraw/zinc/01/82/24/297018224.db2.gz BPVFSNSGXFMSPB-SJLPKXTDSA-N -1 3 313.353 2.566 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCc2ccc(F)c(F)c2C1 ZINC000436621521 297018614 /nfs/dbraw/zinc/01/86/14/297018614.db2.gz AHKIRFBLRNOCJS-UHFFFAOYSA-N -1 3 305.280 2.575 20 0 DFADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000436622476 297018627 /nfs/dbraw/zinc/01/86/27/297018627.db2.gz DFOZFNSLFZJASZ-DINDLPBHSA-N -1 3 313.353 2.781 20 0 DFADHM CCCCCn1cc(CNC(=O)c2ccc(O)cc2[O-])c(C)n1 ZINC000436624587 297019247 /nfs/dbraw/zinc/01/92/47/297019247.db2.gz KBVLOJQFSVHOTK-UHFFFAOYSA-N -1 3 317.389 2.723 20 0 DFADHM CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436631538 297019859 /nfs/dbraw/zinc/01/98/59/297019859.db2.gz SQLSSOHOCKYSEZ-TZMCWYRMSA-N -1 3 319.401 2.651 20 0 DFADHM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1c([O-])cccc1O ZINC000436645821 297020620 /nfs/dbraw/zinc/02/06/20/297020620.db2.gz DVWWRFNVDLLOQF-CRAIPNDOSA-N -1 3 313.353 2.566 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCc2[nH]c3ccccc3c2C1 ZINC000436646224 297021070 /nfs/dbraw/zinc/02/10/70/297021070.db2.gz GRHXWAMCSGEMMF-UHFFFAOYSA-N -1 3 308.337 2.778 20 0 DFADHM CCc1cccc2c1OCC[C@H]2NC(=O)c1c([O-])cccc1O ZINC000436646933 297021094 /nfs/dbraw/zinc/02/10/94/297021094.db2.gz HQRNFECVDDPCRD-CYBMUJFWSA-N -1 3 313.353 2.914 20 0 DFADHM COc1ccc(OC)c([C@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000436649526 297021528 /nfs/dbraw/zinc/02/15/28/297021528.db2.gz VDYMEOBWNQFEQS-JTQLQIEISA-N -1 3 317.341 2.606 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@H]2CCOC[C@H]2C)c([O-])c1 ZINC000436664394 297022950 /nfs/dbraw/zinc/02/29/50/297022950.db2.gz OGQMWLQWLUXDPZ-KGLIPLIRSA-N -1 3 321.417 2.974 20 0 DFADHM COc1cccc(C(F)(F)CNC(=O)c2ccc([O-])c(C)c2)n1 ZINC000436684100 297024840 /nfs/dbraw/zinc/02/48/40/297024840.db2.gz XNLKQGWOEXIJJB-UHFFFAOYSA-N -1 3 322.311 2.626 20 0 DFADHM CCOC(=O)[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000436689919 297025246 /nfs/dbraw/zinc/02/52/46/297025246.db2.gz SRDQDTWITFUSQX-MRXNPFEDSA-N -1 3 313.353 2.735 20 0 DFADHM CC[C@H](C)c1noc(CCNC(=O)c2ccc(C)cc2[O-])n1 ZINC000436685737 297025270 /nfs/dbraw/zinc/02/52/70/297025270.db2.gz CFJSIOQIDYRZPX-NSHDSACASA-N -1 3 303.362 2.570 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H]1O ZINC000436695565 297025521 /nfs/dbraw/zinc/02/55/21/297025521.db2.gz FUXMKZVGQNHTIG-SJKOYZFVSA-N -1 3 313.353 2.637 20 0 DFADHM CC(C)(C)C[C@@H](CO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436695864 297025572 /nfs/dbraw/zinc/02/55/72/297025572.db2.gz MNHLDGYTCAEXCY-LBPRGKRZSA-N -1 3 321.417 2.633 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(OCCCO)cc2)c([O-])c1 ZINC000436697833 297026178 /nfs/dbraw/zinc/02/61/78/297026178.db2.gz OGUJDWWIHDYVEV-UHFFFAOYSA-N -1 3 301.342 2.714 20 0 DFADHM O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000436703561 297026211 /nfs/dbraw/zinc/02/62/11/297026211.db2.gz FBCBJPAOEGBKGI-ZDUSSCGKSA-N -1 3 314.360 2.930 20 0 DFADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])c1nc2ccccc2[nH]1 ZINC000436748306 297031467 /nfs/dbraw/zinc/03/14/67/297031467.db2.gz OQLMTYREYIHWAH-LBPRGKRZSA-N -1 3 311.341 2.855 20 0 DFADHM Cc1cccc(C(=O)NCc2ccc(C[S@](C)=O)cc2)c1[O-] ZINC000436715543 297027953 /nfs/dbraw/zinc/02/79/53/297027953.db2.gz XLUDZSFAHHXYEY-QFIPXVFZSA-N -1 3 317.410 2.509 20 0 DFADHM COc1ccccc1O[C@@H](C)CNC(=O)c1cc(C)ccc1[O-] ZINC000436719149 297028008 /nfs/dbraw/zinc/02/80/08/297028008.db2.gz NSKZTXLJMYCXEM-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM C[C@@H](CO)[C@@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436721059 297028356 /nfs/dbraw/zinc/02/83/56/297028356.db2.gz LBTWAHCGYLIAKV-QWHCGFSZSA-N -1 3 315.369 2.931 20 0 DFADHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000436726866 297028960 /nfs/dbraw/zinc/02/89/60/297028960.db2.gz WKYNZZGMVXKJOP-UONOGXRCSA-N -1 3 307.390 2.724 20 0 DFADHM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436731073 297029306 /nfs/dbraw/zinc/02/93/06/297029306.db2.gz ZRCILOHTOGZXFM-KZULUSFZSA-N -1 3 303.402 2.552 20 0 DFADHM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2cccc(C)c2[O-])[nH]1 ZINC000436733464 297029340 /nfs/dbraw/zinc/02/93/40/297029340.db2.gz XJXIZWVIBXKMJC-KOLCDFICSA-N -1 3 302.378 2.823 20 0 DFADHM C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436731070 297029345 /nfs/dbraw/zinc/02/93/45/297029345.db2.gz ZRCILOHTOGZXFM-KPZWWZAWSA-N -1 3 303.402 2.552 20 0 DFADHM O=C(NCc1ccncn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436733319 297029477 /nfs/dbraw/zinc/02/94/77/297029477.db2.gz GUQZFVRXVWUGFD-UHFFFAOYSA-N -1 3 319.364 2.703 20 0 DFADHM COCCN(Cc1scnc1C)C(=O)c1cc(C)ccc1[O-] ZINC000436730804 297029581 /nfs/dbraw/zinc/02/95/81/297029581.db2.gz YFLUEPQVOLKKSI-UHFFFAOYSA-N -1 3 320.414 2.754 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2snnc2C)c([O-])c1 ZINC000436732112 297029600 /nfs/dbraw/zinc/02/96/00/297029600.db2.gz OPTPWBAGYSLXMD-UHFFFAOYSA-N -1 3 321.402 2.661 20 0 DFADHM CN(C)[C@H](CNC(=O)c1cc(F)ccc1[O-])c1ccsc1 ZINC000436760298 297032543 /nfs/dbraw/zinc/03/25/43/297032543.db2.gz AMUUXZOPXUJDAL-CYBMUJFWSA-N -1 3 308.378 2.626 20 0 DFADHM Cc1ccc(C(=O)NCc2nc3ccccc3n2C)c([O-])c1C ZINC000436758970 297032567 /nfs/dbraw/zinc/03/25/67/297032567.db2.gz PMFPHPWTMIBNRZ-UHFFFAOYSA-N -1 3 309.369 2.826 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccccn2)c1 ZINC000436785816 297033929 /nfs/dbraw/zinc/03/39/29/297033929.db2.gz GPHSCCLJZURSMF-NSHDSACASA-N -1 3 313.357 2.579 20 0 DFADHM CCN1CCCC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436784898 297034019 /nfs/dbraw/zinc/03/40/19/297034019.db2.gz RZJFRDCAHQUVQU-LLVKDONJSA-N -1 3 314.788 2.789 20 0 DFADHM O=C(c1ccccc1[O-])N1CCC(CCCn2ccnc2)CC1 ZINC000436790339 297034491 /nfs/dbraw/zinc/03/44/91/297034491.db2.gz HBRKNSRVMIVLDC-UHFFFAOYSA-N -1 3 313.401 2.921 20 0 DFADHM COCCN(C(=O)c1cc(C)ccc1[O-])[C@@H]1CCCSC1 ZINC000436806067 297035719 /nfs/dbraw/zinc/03/57/19/297035719.db2.gz FNVWCIOSLHXKRM-CYBMUJFWSA-N -1 3 309.431 2.685 20 0 DFADHM O=C(NCCCCO)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436812056 297036134 /nfs/dbraw/zinc/03/61/34/297036134.db2.gz CTRFPXNVDHVWAX-UHFFFAOYSA-N -1 3 313.397 2.680 20 0 DFADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@@H]1CCCCO1 ZINC000436813880 297036434 /nfs/dbraw/zinc/03/64/34/297036434.db2.gz GKQUCVHKBVLEEX-RISCZKNCSA-N -1 3 319.401 2.793 20 0 DFADHM C[C@@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCCN1C ZINC000436830086 297037809 /nfs/dbraw/zinc/03/78/09/297037809.db2.gz UOOJGNJAVGNUHJ-BXKDBHETSA-N -1 3 316.323 2.624 20 0 DFADHM CCc1ccc(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)c([O-])c1 ZINC000436835304 297038345 /nfs/dbraw/zinc/03/83/45/297038345.db2.gz VIFSRQIPQTYLSW-UKRRQHHQSA-N -1 3 302.418 2.653 20 0 DFADHM CCc1ccc(C(=O)NCc2nnc(C(C)C)s2)c([O-])c1 ZINC000436832582 297038481 /nfs/dbraw/zinc/03/84/81/297038481.db2.gz SOKVFDKHQNJECN-UHFFFAOYSA-N -1 3 305.403 2.860 20 0 DFADHM C[C@H](NC(=O)c1c([O-])cccc1F)[C@H](c1ccccc1)N(C)C ZINC000436904612 297043486 /nfs/dbraw/zinc/04/34/86/297043486.db2.gz MAKZGYCGWBKZMY-YVEFUNNKSA-N -1 3 316.376 2.953 20 0 DFADHM Cc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)no2)c([O-])c1 ZINC000436902183 297043513 /nfs/dbraw/zinc/04/35/13/297043513.db2.gz OWRACFDVDIPGGE-UHFFFAOYSA-N -1 3 307.309 2.912 20 0 DFADHM COc1ccc(C(=O)NCc2cccc(-c3ncc[nH]3)c2)c([O-])c1 ZINC000436862612 297040676 /nfs/dbraw/zinc/04/06/76/297040676.db2.gz PHDNSJFVHLACLW-UHFFFAOYSA-N -1 3 323.352 2.721 20 0 DFADHM CC[C@@H](C)Oc1cc(CNC(=O)c2ccccc2[O-])ccn1 ZINC000436863925 297041045 /nfs/dbraw/zinc/04/10/45/297041045.db2.gz KYJQYYPXCTUCBQ-GFCCVEGCSA-N -1 3 300.358 2.895 20 0 DFADHM [O-]c1ccc(-c2noc(CCc3cccc4c3OCO4)n2)cc1 ZINC000436870423 297041363 /nfs/dbraw/zinc/04/13/63/297041363.db2.gz NFGIUXMMAIOGFK-UHFFFAOYSA-N -1 3 310.309 2.956 20 0 DFADHM COc1cc(-c2noc(C(=O)c3ccc(F)cc3)n2)ccc1[O-] ZINC000436886623 297041991 /nfs/dbraw/zinc/04/19/91/297041991.db2.gz HJUIWQPDMGUOLH-UHFFFAOYSA-N -1 3 314.272 2.821 20 0 DFADHM COc1ccc(C(=O)NCC2(OC)CCC(C)CC2)c([O-])c1 ZINC000436890802 297042722 /nfs/dbraw/zinc/04/27/22/297042722.db2.gz CTSPGASOUGFCIV-UHFFFAOYSA-N -1 3 307.390 2.726 20 0 DFADHM C[C@@H](NC(=O)c1cc(F)ccc1[O-])[C@H](c1ccccc1)N(C)C ZINC000436896230 297043001 /nfs/dbraw/zinc/04/30/01/297043001.db2.gz XTEPYMNMOUKSFN-SJKOYZFVSA-N -1 3 316.376 2.953 20 0 DFADHM Cc1ccc([O-])c(-c2nc(-c3ccnc(-n4cccn4)c3)no2)c1 ZINC000436896145 297043135 /nfs/dbraw/zinc/04/31/35/297043135.db2.gz XDXFQXUAOVQFAC-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM Cc1cccc(CN2CCN(C(=O)c3ccc([O-])c(C)c3)CC2)c1 ZINC000436904505 297043370 /nfs/dbraw/zinc/04/33/70/297043370.db2.gz WWEOJFCWTRDWNC-UHFFFAOYSA-N -1 3 324.424 2.967 20 0 DFADHM Cc1nnc2n1CCC[C@H]2[N-]C(=O)C(F)(F)c1ccc(C)cc1 ZINC000365023237 293891590 /nfs/dbraw/zinc/89/15/90/293891590.db2.gz UXPUMGGCLNRNAL-CYBMUJFWSA-N -1 3 320.343 2.638 20 0 DFADHM O=C(NC[C@H]1CCCCN1C1CC1)c1cc(Cl)ccc1[O-] ZINC000436912072 297043811 /nfs/dbraw/zinc/04/38/11/297043811.db2.gz VUSXJRHTOQABKY-CYBMUJFWSA-N -1 3 308.809 2.792 20 0 DFADHM CCOc1ccc(CNC(=O)c2cccc(OC)c2[O-])cc1 ZINC000436908667 297044015 /nfs/dbraw/zinc/04/40/15/297044015.db2.gz WHIPXPULTUEWFA-UHFFFAOYSA-N -1 3 301.342 2.730 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1ccnc(NC(=O)C(C)C)c1 ZINC000436907712 297044026 /nfs/dbraw/zinc/04/40/26/297044026.db2.gz SWDYHVQEMBVWSW-UHFFFAOYSA-N -1 3 313.357 2.942 20 0 DFADHM Cc1ccoc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915047 297044458 /nfs/dbraw/zinc/04/44/58/297044458.db2.gz OCDMKGGNTWWEMN-UHFFFAOYSA-N -1 3 318.720 2.984 20 0 DFADHM CN(C)CCc1ccccc1NC(=O)c1c([O-])cccc1F ZINC000436913963 297044601 /nfs/dbraw/zinc/04/46/01/297044601.db2.gz WUQVOMBSNBLTLF-UHFFFAOYSA-N -1 3 302.349 2.888 20 0 DFADHM COc1cccc(C(=O)NC(C)(C)c2ccc(C)nc2)c1[O-] ZINC000436917119 297044603 /nfs/dbraw/zinc/04/46/03/297044603.db2.gz ABAFKEGTKIGAJO-UHFFFAOYSA-N -1 3 300.358 2.769 20 0 DFADHM O=C(NCCOC(F)(F)F)c1cc2c(cc1[O-])CCCC2 ZINC000436976840 297049535 /nfs/dbraw/zinc/04/95/35/297049535.db2.gz CMNVTKOEPXFNBY-UHFFFAOYSA-N -1 3 303.280 2.537 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)ccc1[O-] ZINC000436923966 297044880 /nfs/dbraw/zinc/04/48/80/297044880.db2.gz FDNYKPYBQLDSCK-NSHDSACASA-N -1 3 313.357 2.682 20 0 DFADHM CNC(=O)c1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1Cl ZINC000436924363 297044896 /nfs/dbraw/zinc/04/48/96/297044896.db2.gz GFXQBFXWOTVRAH-UHFFFAOYSA-N -1 3 318.760 2.966 20 0 DFADHM Cc1cccc(C(=O)N[C@H]2COc3ccc(F)cc3C2)c1[O-] ZINC000436924532 297045043 /nfs/dbraw/zinc/04/50/43/297045043.db2.gz GJKIBSMRFGZMTK-CYBMUJFWSA-N -1 3 301.317 2.573 20 0 DFADHM COc1ccc(NC(C)=O)c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436923340 297045064 /nfs/dbraw/zinc/04/50/64/297045064.db2.gz BSYOCGMKRALMPT-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM COc1ccc(CCNC(=O)c2ccc([O-])c(C)c2)cc1F ZINC000436928487 297045306 /nfs/dbraw/zinc/04/53/06/297045306.db2.gz QZHDKVLUACOYQM-UHFFFAOYSA-N -1 3 303.333 2.821 20 0 DFADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(O)cc1[O-] ZINC000436928208 297045356 /nfs/dbraw/zinc/04/53/56/297045356.db2.gz QVEKCHMLXBNZAU-INIZCTEOSA-N -1 3 313.353 2.914 20 0 DFADHM COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(O)cc1[O-] ZINC000436928210 297045517 /nfs/dbraw/zinc/04/55/17/297045517.db2.gz QVEKCHMLXBNZAU-MRXNPFEDSA-N -1 3 313.353 2.914 20 0 DFADHM Cc1ccc(-c2nc(-c3cccc(-n4cccn4)n3)no2)c([O-])c1 ZINC000436935111 297045973 /nfs/dbraw/zinc/04/59/73/297045973.db2.gz IXNYFVPBWJZHSS-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM COc1ccc(C(=O)NCC(F)(F)c2ccccc2)c([O-])c1 ZINC000436930390 297045998 /nfs/dbraw/zinc/04/59/98/297045998.db2.gz HHKSCZGTJAHPFY-UHFFFAOYSA-N -1 3 307.296 2.923 20 0 DFADHM Cc1ccc([O-])c(-c2nc(-c3cccc(-n4cncn4)c3)no2)c1 ZINC000436937756 297046159 /nfs/dbraw/zinc/04/61/59/297046159.db2.gz RJTOVWMMAHKDPD-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM Cc1ccc(-c2nc(-c3ccc(CC(N)=O)cc3)no2)c([O-])c1C ZINC000436941425 297046576 /nfs/dbraw/zinc/04/65/76/297046576.db2.gz QABZRHWZCIJREZ-UHFFFAOYSA-N -1 3 323.352 2.754 20 0 DFADHM CN(C[C@H]1CCCCO1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436947924 297047223 /nfs/dbraw/zinc/04/72/23/297047223.db2.gz FEQDYEZMHJHWSA-CQSZACIVSA-N -1 3 303.402 2.912 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCOCC2(CCC2)C1 ZINC000436958014 297047825 /nfs/dbraw/zinc/04/78/25/297047825.db2.gz CETDLXFNGNNQLG-UHFFFAOYSA-N -1 3 315.413 2.914 20 0 DFADHM O=C(NCC1(CCO)CCCC1)c1ccc2c(c1[O-])CCCC2 ZINC000436974646 297048900 /nfs/dbraw/zinc/04/89/00/297048900.db2.gz AHSKDEGJFGKRSL-UHFFFAOYSA-N -1 3 317.429 2.944 20 0 DFADHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1cc[nH]c(=O)c1 ZINC000436977451 297049246 /nfs/dbraw/zinc/04/92/46/297049246.db2.gz ROHLUNLYPKGXFI-NSHDSACASA-N -1 3 312.369 2.863 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@](C)(O)C(C)C)c([O-])c1 ZINC000436985986 297050046 /nfs/dbraw/zinc/05/00/46/297050046.db2.gz IUFKTCMOJWMRTD-QGZVFWFLSA-N -1 3 309.406 2.708 20 0 DFADHM CCCCOc1ccc(C(=O)NCC[C@H](O)C(C)C)c([O-])c1 ZINC000436985951 297050177 /nfs/dbraw/zinc/05/01/77/297050177.db2.gz IRJQDVAKOIRJSR-HNNXBMFYSA-N -1 3 309.406 2.708 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000436990604 297050880 /nfs/dbraw/zinc/05/08/80/297050880.db2.gz RANXHXFESACRNG-XJKSGUPXSA-N -1 3 321.417 2.852 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](c2nc[nH]n2)c2ccccc2)c([O-])c1C ZINC000436992197 297051048 /nfs/dbraw/zinc/05/10/48/297051048.db2.gz XYZLIJGEWNIQTR-OAHLLOKOSA-N -1 3 322.368 2.647 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](C)CCC(=O)OC(C)C)c([O-])c1 ZINC000437003750 297052155 /nfs/dbraw/zinc/05/21/55/297052155.db2.gz SFOAXOXQKBGPAJ-LBPRGKRZSA-N -1 3 307.390 2.805 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)CCC(=O)OC(C)C)c([O-])c1C ZINC000437003832 297052188 /nfs/dbraw/zinc/05/21/88/297052188.db2.gz SRKBDPGCCIOGSO-LBPRGKRZSA-N -1 3 307.390 2.859 20 0 DFADHM CO[C@@]1(C)C[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)C1(C)C ZINC000155707250 294145216 /nfs/dbraw/zinc/14/52/16/294145216.db2.gz IRXQEYCVKWRTQE-CJNGLKHVSA-N -1 3 311.809 2.908 20 0 DFADHM O=C(NCc1c(F)cc(F)c(F)c1F)c1c([O-])cccc1O ZINC000437822874 297071033 /nfs/dbraw/zinc/07/10/33/297071033.db2.gz UFBKCGHWUJZUJU-UHFFFAOYSA-N -1 3 315.222 2.584 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(F)c(C)c1 ZINC000154340038 295297457 /nfs/dbraw/zinc/29/74/57/295297457.db2.gz JACMMORKSRHNQF-UHFFFAOYSA-N -1 3 315.391 2.683 20 0 DFADHM O=c1[n-]c(=O)n(Cc2ccc(-c3ccccc3)cc2)cc1Cl ZINC000154410746 295299369 /nfs/dbraw/zinc/29/93/69/295299369.db2.gz SPYSUVAZSAFGTE-UHFFFAOYSA-N -1 3 312.756 2.905 20 0 DFADHM O=C(/C=C/c1ccc(-n2ccnc2)cc1)[N-]OCc1cccnc1 ZINC000155849528 295326809 /nfs/dbraw/zinc/32/68/09/295326809.db2.gz UTVBQUGGNXFLDL-VMPITWQZSA-N -1 3 320.352 2.529 20 0 DFADHM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2ccccc2[O-])c1C ZINC000157538504 295349764 /nfs/dbraw/zinc/34/97/64/295349764.db2.gz DDZSJHCLBHRJQS-UHFFFAOYSA-N -1 3 319.382 2.665 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)c3ccc(C)cc3)[n-]c21 ZINC000157782989 295353499 /nfs/dbraw/zinc/35/34/99/295353499.db2.gz UMNFJVDWBFTDHC-UHFFFAOYSA-N -1 3 309.325 2.910 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C)cc3)nc21 ZINC000157782989 295353500 /nfs/dbraw/zinc/35/35/00/295353500.db2.gz UMNFJVDWBFTDHC-UHFFFAOYSA-N -1 3 309.325 2.910 20 0 DFADHM COc1cc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)ncn1 ZINC000157929214 295355625 /nfs/dbraw/zinc/35/56/25/295355625.db2.gz NCDYQCBZICMHMJ-UHFFFAOYSA-N -1 3 310.313 2.701 20 0 DFADHM COCCC1(C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000158891713 295369050 /nfs/dbraw/zinc/36/90/50/295369050.db2.gz VGLKRGOKGHGPMF-UHFFFAOYSA-N -1 3 314.179 2.910 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)C1CCCC1 ZINC000159067781 295371795 /nfs/dbraw/zinc/37/17/95/295371795.db2.gz MICSKKVFLARNLO-UHFFFAOYSA-N -1 3 300.424 2.786 20 0 DFADHM O=C(/C=C/c1nc2ccccc2o1)[N-]OCCC(F)(F)F ZINC000162679480 295415958 /nfs/dbraw/zinc/41/59/58/295415958.db2.gz FBUAWPNDLQWQQK-AATRIKPKSA-N -1 3 300.236 2.841 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)cc1[O-] ZINC000411894190 295566895 /nfs/dbraw/zinc/56/68/95/295566895.db2.gz PSWUFJZNZQKUKT-INIZCTEOSA-N -1 3 324.380 2.921 20 0 DFADHM CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(C(C)=O)c([O-])c2)C1(C)C ZINC000412169294 295596296 /nfs/dbraw/zinc/59/62/96/295596296.db2.gz JLTNQNHTRNYMBW-CRAIPNDOSA-N -1 3 319.401 2.870 20 0 DFADHM CN(C(=O)c1c[n-]c2ccncc2c1=O)C1CCC(C)(C)CC1 ZINC000412172506 295596694 /nfs/dbraw/zinc/59/66/94/295596694.db2.gz MYUZFELJDBIEDE-UHFFFAOYSA-N -1 3 313.401 2.964 20 0 DFADHM COCC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccco1 ZINC000412244379 295604665 /nfs/dbraw/zinc/60/46/65/295604665.db2.gz GHZNENVJIAAZOM-AWEZNQCLSA-N -1 3 317.341 2.695 20 0 DFADHM CCOC1CC2(C1)CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)C2 ZINC000412337980 295613680 /nfs/dbraw/zinc/61/36/80/295613680.db2.gz NGMHJEQNSLKJBM-UHFFFAOYSA-N -1 3 317.385 2.626 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](C(C)C)[C@@H](CO)C(C)C)cc1[O-] ZINC000412381388 295617737 /nfs/dbraw/zinc/61/77/37/295617737.db2.gz TWEHYKWSKAXLOD-DOTOQJQBSA-N -1 3 321.417 2.614 20 0 DFADHM CCC[C@H](NC(=O)c1c[n-]c2ccncc2c1=O)C(C)(C)C ZINC000412382996 295617871 /nfs/dbraw/zinc/61/78/71/295617871.db2.gz NFAZHVRXHCISJY-AWEZNQCLSA-N -1 3 301.390 2.868 20 0 DFADHM CN1CCC[C@@H](NC(=O)c2c([O-])cccc2O)c2ccccc21 ZINC000412396601 295619100 /nfs/dbraw/zinc/61/91/00/295619100.db2.gz 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CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000443306680 297218872 /nfs/dbraw/zinc/21/88/72/297218872.db2.gz GIUIKYRZETVSLT-KOLCDFICSA-N -1 3 323.817 2.555 20 0 DFADHM O=S(=O)([N-]CC1(C2CC2)CCC1)c1cc(F)c(F)c(F)c1 ZINC000443721137 297225036 /nfs/dbraw/zinc/22/50/36/297225036.db2.gz FXOQYTCRAJBOOR-UHFFFAOYSA-N -1 3 319.348 2.963 20 0 DFADHM C[C@H](O)CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000443780041 297225747 /nfs/dbraw/zinc/22/57/47/297225747.db2.gz MNJSNNFNIIIEIN-JTQLQIEISA-N -1 3 313.806 2.542 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N(C)Cc2cc(F)cc(F)c2)on1 ZINC000444714995 297246560 /nfs/dbraw/zinc/24/65/60/297246560.db2.gz LAEOMRFDUXNOLO-JTQLQIEISA-N -1 3 309.316 2.720 20 0 DFADHM Cc1ncc(CNC(=O)Nc2cc3[nH]ccc3cc2C)c(=O)[n-]1 ZINC000445005738 297257712 /nfs/dbraw/zinc/25/77/12/297257712.db2.gz MZABFBRCFPGEPL-UHFFFAOYSA-N -1 3 311.345 2.602 20 0 DFADHM Cc1ccc(CNC(=O)Cc2noc(-c3ccccc3[O-])n2)cc1 ZINC000445566556 297262935 /nfs/dbraw/zinc/26/29/35/297262935.db2.gz 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/nfs/dbraw/zinc/31/45/73/297314573.db2.gz PHIBQDACXBPQBA-UHFFFAOYSA-N -1 3 322.702 2.820 20 0 DFADHM CN1CCCC(C)(C)[C@@H]1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000448110414 297332758 /nfs/dbraw/zinc/33/27/58/297332758.db2.gz RYENJLVNEPBRMA-AWEZNQCLSA-N -1 3 324.465 2.648 20 0 DFADHM Cn1cccc1[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000448615295 297349051 /nfs/dbraw/zinc/34/90/51/297349051.db2.gz KJCMITILIDTAGJ-HNNXBMFYSA-N -1 3 302.349 2.776 20 0 DFADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000448624110 297349891 /nfs/dbraw/zinc/34/98/91/297349891.db2.gz UNSDLHZOOLWCNO-QMMMGPOBSA-N -1 3 313.283 2.784 20 0 DFADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000448624110 297349892 /nfs/dbraw/zinc/34/98/92/297349892.db2.gz UNSDLHZOOLWCNO-QMMMGPOBSA-N -1 3 313.283 2.784 20 0 DFADHM C[C@H]1CCCC[C@@H]1OCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448716471 297360234 /nfs/dbraw/zinc/36/02/34/297360234.db2.gz VBIJWSJUOVTAAB-LRDDRELGSA-N -1 3 309.381 2.785 20 0 DFADHM C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448716473 297360251 /nfs/dbraw/zinc/36/02/51/297360251.db2.gz VBIJWSJUOVTAAB-WBMJQRKESA-N -1 3 309.381 2.785 20 0 DFADHM Cc1cccc(OC[C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448772839 297366179 /nfs/dbraw/zinc/36/61/79/297366179.db2.gz UXPICVVENPAGEH-ZDUSSCGKSA-N -1 3 317.360 2.966 20 0 DFADHM Cc1cccc(CCN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000449013531 297390722 /nfs/dbraw/zinc/39/07/22/297390722.db2.gz LLJLMFSNVIIVTG-UHFFFAOYSA-N -1 3 324.424 2.701 20 0 DFADHM CCC[C@@H](CC(C)C)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000449809309 297540001 /nfs/dbraw/zinc/54/00/01/297540001.db2.gz FXHQUKDHZNXSTO-HNNXBMFYSA-N -1 3 320.433 2.701 20 0 DFADHM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@H](N2CCCC2)C1 ZINC000073290325 304535318 /nfs/dbraw/zinc/53/53/18/304535318.db2.gz FPQLYSVUQUOJEP-LBPRGKRZSA-N -1 3 317.414 2.801 20 0 DFADHM Cc1cnc(C(C)(C)NC(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000450117352 297588656 /nfs/dbraw/zinc/58/86/56/297588656.db2.gz 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ZINC000685285963 546337638 /nfs/dbraw/zinc/33/76/38/546337638.db2.gz ULOUJHXZSUMBDQ-UHFFFAOYSA-N -1 3 314.276 2.532 20 0 DFADHM Cn1c2c(nc1[C@H]1CCCN1Cc1ncccc1[O-])CCCC2 ZINC000685428070 546348655 /nfs/dbraw/zinc/34/86/55/546348655.db2.gz RDKOKRCXMRCDKX-MRXNPFEDSA-N -1 3 312.417 2.737 20 0 DFADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@@H](C(F)(F)F)O1 ZINC000685768175 546388820 /nfs/dbraw/zinc/38/88/20/546388820.db2.gz FWRZKHKZOWWDMT-CPCISQLKSA-N -1 3 323.698 2.837 20 0 DFADHM Cc1cn2c(n1)CN(Cc1cc([O-])cc(C(F)(F)F)c1)CC2 ZINC000685843737 546397035 /nfs/dbraw/zinc/39/70/35/546397035.db2.gz VNULNPUJMBTHEP-UHFFFAOYSA-N -1 3 311.307 2.932 20 0 DFADHM C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc([O-])ccc1Cl ZINC000685854187 546399868 /nfs/dbraw/zinc/39/98/68/546399868.db2.gz CBQNZZRFKWVDPM-HQJQHLMTSA-N -1 3 323.698 2.837 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](F)C3)nc2)n1 ZINC000685917497 546409025 /nfs/dbraw/zinc/40/90/25/546409025.db2.gz AQRXNXGBKQTOHX-LBPRGKRZSA-N -1 3 302.353 2.745 20 0 DFADHM Cc1nc(-c2ccc(N3CC[C@@H](C(F)F)C3)nc2)[n-]c(=O)c1C ZINC000685918908 546409564 /nfs/dbraw/zinc/40/95/64/546409564.db2.gz RASSGQKFKULNFD-GFCCVEGCSA-N -1 3 320.343 2.952 20 0 DFADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H]1C=CCCC1 ZINC000737523680 598826472 /nfs/dbraw/zinc/82/64/72/598826472.db2.gz REBHFFXPKBOOJH-CQSZACIVSA-N -1 3 307.361 2.715 20 0 DFADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H]1C=CCCC1 ZINC000737523680 598826474 /nfs/dbraw/zinc/82/64/74/598826474.db2.gz REBHFFXPKBOOJH-CQSZACIVSA-N -1 3 307.361 2.715 20 0 DFADHM CC[C@@H]1CCCCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736400237 598837272 /nfs/dbraw/zinc/83/72/72/598837272.db2.gz NFIMSOPCEUQETL-SNVBAGLBSA-N -1 3 305.407 2.723 20 0 DFADHM CC[C@@H]1CCCCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736400237 598837274 /nfs/dbraw/zinc/83/72/74/598837274.db2.gz NFIMSOPCEUQETL-SNVBAGLBSA-N -1 3 305.407 2.723 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000736239015 598838470 /nfs/dbraw/zinc/83/84/70/598838470.db2.gz FQWZZYXNWZVIGO-UHIISALHSA-N -1 3 314.393 2.813 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736239015 598838472 /nfs/dbraw/zinc/83/84/72/598838472.db2.gz FQWZZYXNWZVIGO-UHIISALHSA-N -1 3 314.393 2.813 20 0 DFADHM Cc1nnc(N[C@H]2C[C@H](C)C[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737519252 598857260 /nfs/dbraw/zinc/85/72/60/598857260.db2.gz BZVISRYGHCZSCQ-GDGBQDQQSA-N -1 3 301.398 2.510 20 0 DFADHM Cc1nnc(N[C@H]2C[C@H](C)C[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737519252 598857261 /nfs/dbraw/zinc/85/72/61/598857261.db2.gz BZVISRYGHCZSCQ-GDGBQDQQSA-N -1 3 301.398 2.510 20 0 DFADHM CCOC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736611493 598869635 /nfs/dbraw/zinc/86/96/35/598869635.db2.gz PVPMHNPJBKOQDP-LLVKDONJSA-N -1 3 321.812 2.773 20 0 DFADHM CCOC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736611493 598869637 /nfs/dbraw/zinc/86/96/37/598869637.db2.gz PVPMHNPJBKOQDP-LLVKDONJSA-N -1 3 321.812 2.773 20 0 DFADHM CC/C=C(/C)C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736408237 598888001 /nfs/dbraw/zinc/88/80/01/598888001.db2.gz DXCMRQHIUKUWBW-HUMZTAOYSA-N -1 3 316.361 2.534 20 0 DFADHM CC/C=C(/C)C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736408237 598888002 /nfs/dbraw/zinc/88/80/02/598888002.db2.gz DXCMRQHIUKUWBW-HUMZTAOYSA-N -1 3 316.361 2.534 20 0 DFADHM CO[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)C(F)(F)F ZINC000821676739 599557917 /nfs/dbraw/zinc/55/79/17/599557917.db2.gz GMTXRNKDCYFKEJ-MRVPVSSYSA-N -1 3 321.690 2.509 20 0 DFADHM C[C@H](CC1CCCC1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735987299 598902777 /nfs/dbraw/zinc/90/27/77/598902777.db2.gz YBMIGOKEAHBZKJ-GFCCVEGCSA-N -1 3 313.405 2.699 20 0 DFADHM C[C@H](CC1CCCC1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735987299 598902779 /nfs/dbraw/zinc/90/27/79/598902779.db2.gz YBMIGOKEAHBZKJ-GFCCVEGCSA-N -1 3 313.405 2.699 20 0 DFADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736263355 598907696 /nfs/dbraw/zinc/90/76/96/598907696.db2.gz PQCMNIIXYNBRLC-OLZOCXBDSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736263355 598907698 /nfs/dbraw/zinc/90/76/98/598907698.db2.gz PQCMNIIXYNBRLC-OLZOCXBDSA-N -1 3 313.405 2.813 20 0 DFADHM CC(C)(CNc1ncccc1-c1nnn[n-]1)c1cccs1 ZINC000735670540 598914846 /nfs/dbraw/zinc/91/48/46/598914846.db2.gz ATLODRFNTRLLSX-UHFFFAOYSA-N -1 3 300.391 2.713 20 0 DFADHM CC(C)(CNc1ncccc1-c1nn[n-]n1)c1cccs1 ZINC000735670540 598914848 /nfs/dbraw/zinc/91/48/48/598914848.db2.gz ATLODRFNTRLLSX-UHFFFAOYSA-N -1 3 300.391 2.713 20 0 DFADHM C[C@@H]1CCCC[C@@H]1N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736276543 598936855 /nfs/dbraw/zinc/93/68/55/598936855.db2.gz ZBOTXWOMDKBGFX-SKDRFNHKSA-N -1 3 306.801 2.930 20 0 DFADHM C[C@@H]1CCCC[C@@H]1N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736276543 598936857 /nfs/dbraw/zinc/93/68/57/598936857.db2.gz ZBOTXWOMDKBGFX-SKDRFNHKSA-N -1 3 306.801 2.930 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OCCSC1CCCC1 ZINC000737031590 598937401 /nfs/dbraw/zinc/93/74/01/598937401.db2.gz ARKSSYIUKRYTTO-UHFFFAOYSA-N -1 3 320.418 2.930 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OCCSC1CCCC1 ZINC000737031590 598937403 /nfs/dbraw/zinc/93/74/03/598937403.db2.gz ARKSSYIUKRYTTO-UHFFFAOYSA-N -1 3 320.418 2.930 20 0 DFADHM CC(C)(C)n1cc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000735661477 598939303 /nfs/dbraw/zinc/93/93/03/598939303.db2.gz LMKKROCNWNYNHK-UHFFFAOYSA-N -1 3 318.772 2.610 20 0 DFADHM CC(C)(C)n1cc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000735661477 598939304 /nfs/dbraw/zinc/93/93/04/598939304.db2.gz LMKKROCNWNYNHK-UHFFFAOYSA-N -1 3 318.772 2.610 20 0 DFADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1CC=CC1 ZINC000738206002 598940715 /nfs/dbraw/zinc/94/07/15/598940715.db2.gz ABNMXYPHKAGICS-UHFFFAOYSA-N -1 3 315.402 2.712 20 0 DFADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1CC=CC1 ZINC000738206002 598940717 /nfs/dbraw/zinc/94/07/17/598940717.db2.gz ABNMXYPHKAGICS-UHFFFAOYSA-N -1 3 315.402 2.712 20 0 DFADHM Cc1ccc(Nc2ccc(-c3nnn[n-]3)cn2)cc1OC(F)F ZINC000737362931 598944154 /nfs/dbraw/zinc/94/41/54/598944154.db2.gz YVGVZTYRENFGME-UHFFFAOYSA-N -1 3 318.287 2.915 20 0 DFADHM Cc1ccc(Nc2ccc(-c3nn[n-]n3)cn2)cc1OC(F)F ZINC000737362931 598944155 /nfs/dbraw/zinc/94/41/55/598944155.db2.gz YVGVZTYRENFGME-UHFFFAOYSA-N -1 3 318.287 2.915 20 0 DFADHM CCC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736308187 598962701 /nfs/dbraw/zinc/96/27/01/598962701.db2.gz AJLPAEQXWBAWRP-UHFFFAOYSA-N -1 3 322.372 2.827 20 0 DFADHM CCC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736308187 598962703 /nfs/dbraw/zinc/96/27/03/598962703.db2.gz AJLPAEQXWBAWRP-UHFFFAOYSA-N -1 3 322.372 2.827 20 0 DFADHM C[C@H](Cc1ccccc1)OC(=O)c1sccc1-c1nnn[n-]1 ZINC000736057683 599026449 /nfs/dbraw/zinc/02/64/49/599026449.db2.gz JCBOIPGWOLSHLO-SNVBAGLBSA-N -1 3 314.370 2.716 20 0 DFADHM C[C@H](C(=O)Nc1cccc(NC(=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC000736762363 599740242 /nfs/dbraw/zinc/74/02/42/599740242.db2.gz KSHCQRBYWMBZHQ-GRYCIOLGSA-N -1 3 305.378 2.976 20 0 DFADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)Cc1cccs1 ZINC000820281232 599041357 /nfs/dbraw/zinc/04/13/57/599041357.db2.gz UHDSWNZSZRNAMY-JTQLQIEISA-N -1 3 300.391 2.614 20 0 DFADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)Cc1cccs1 ZINC000820281232 599041360 /nfs/dbraw/zinc/04/13/60/599041360.db2.gz UHDSWNZSZRNAMY-JTQLQIEISA-N -1 3 300.391 2.614 20 0 DFADHM Cc1csc([C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CC2)n1 ZINC000822408745 599044773 /nfs/dbraw/zinc/04/47/73/599044773.db2.gz HRSURZTZFPKWTN-LBPRGKRZSA-N -1 3 313.390 2.590 20 0 DFADHM Cc1csc([C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)n1 ZINC000822408745 599044775 /nfs/dbraw/zinc/04/47/75/599044775.db2.gz HRSURZTZFPKWTN-LBPRGKRZSA-N -1 3 313.390 2.590 20 0 DFADHM Cc1c(NCCOc2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822123303 607257849 /nfs/dbraw/zinc/25/78/49/607257849.db2.gz YXZGDAIXLGVRHB-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1c(NCCOc2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822123303 607257850 /nfs/dbraw/zinc/25/78/50/607257850.db2.gz YXZGDAIXLGVRHB-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM CC1(C)[C@@H]2CN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C[C@@H]21 ZINC000820586262 599053121 /nfs/dbraw/zinc/05/31/21/599053121.db2.gz UZJVVEJXNJAOIO-TXEJJXNPSA-N -1 3 323.322 2.978 20 0 DFADHM CC1(C)[C@@H]2CN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)C[C@@H]21 ZINC000820586262 599053124 /nfs/dbraw/zinc/05/31/24/599053124.db2.gz UZJVVEJXNJAOIO-TXEJJXNPSA-N -1 3 323.322 2.978 20 0 DFADHM COc1cccc(F)c1[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC000821872792 599055409 /nfs/dbraw/zinc/05/54/09/599055409.db2.gz QJULSEVXOUOLGZ-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM COc1cccc(F)c1[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC000821872792 599055412 /nfs/dbraw/zinc/05/54/12/599055412.db2.gz QJULSEVXOUOLGZ-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM C[C@@H](CCc1cccn1C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820254597 599054421 /nfs/dbraw/zinc/05/44/21/599054421.db2.gz RMTZILDLUWUILV-NSHDSACASA-N -1 3 314.368 2.778 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2C2CC2)n1 ZINC000737633351 599056017 /nfs/dbraw/zinc/05/60/17/599056017.db2.gz QMLUKAIGCOWYAQ-SNVBAGLBSA-N -1 3 324.310 2.659 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2C2CC2)n1 ZINC000737633351 599056019 /nfs/dbraw/zinc/05/60/19/599056019.db2.gz QMLUKAIGCOWYAQ-SNVBAGLBSA-N -1 3 324.310 2.659 20 0 DFADHM CN(CC1CCC1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736796053 599056470 /nfs/dbraw/zinc/05/64/70/599056470.db2.gz ZYWFEZILRIIGCM-UHFFFAOYSA-N -1 3 312.299 2.517 20 0 DFADHM CN(CC1CCC1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736796053 599056473 /nfs/dbraw/zinc/05/64/73/599056473.db2.gz ZYWFEZILRIIGCM-UHFFFAOYSA-N -1 3 312.299 2.517 20 0 DFADHM C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820668975 599059877 /nfs/dbraw/zinc/05/98/77/599059877.db2.gz XVLDQIYVAAPOOH-XHDPSFHLSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820668975 599059880 /nfs/dbraw/zinc/05/98/80/599059880.db2.gz XVLDQIYVAAPOOH-XHDPSFHLSA-N -1 3 324.363 2.988 20 0 DFADHM CCc1noc([C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000736713077 599063730 /nfs/dbraw/zinc/06/37/30/599063730.db2.gz MSXRQEJRCNPNPJ-ZETCQYMHSA-N -1 3 320.353 2.805 20 0 DFADHM CCc1noc([C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000736713077 599063733 /nfs/dbraw/zinc/06/37/33/599063733.db2.gz MSXRQEJRCNPNPJ-ZETCQYMHSA-N -1 3 320.353 2.805 20 0 DFADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(F)cc1 ZINC000820275407 599066956 /nfs/dbraw/zinc/06/69/56/599066956.db2.gz PZNFYQAYLBHKKR-LLVKDONJSA-N -1 3 313.336 2.885 20 0 DFADHM CS[C@@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821951345 599073300 /nfs/dbraw/zinc/07/33/00/599073300.db2.gz XAJJBGVADUYPMI-DTWKUNHWSA-N -1 3 310.814 2.611 20 0 DFADHM CS[C@@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821951345 599073304 /nfs/dbraw/zinc/07/33/04/599073304.db2.gz XAJJBGVADUYPMI-DTWKUNHWSA-N -1 3 310.814 2.611 20 0 DFADHM CS[C@@H]1CC[C@H](Nc2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000821951529 599073766 /nfs/dbraw/zinc/07/37/66/599073766.db2.gz ZVVGWDBHBXZELL-WDEREUQCSA-N -1 3 304.423 2.575 20 0 DFADHM CS[C@@H]1CC[C@H](Nc2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000821951529 599073768 /nfs/dbraw/zinc/07/37/68/599073768.db2.gz ZVVGWDBHBXZELL-WDEREUQCSA-N -1 3 304.423 2.575 20 0 DFADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCCC3CC3)c2c1 ZINC000822195502 599077336 /nfs/dbraw/zinc/07/73/36/599077336.db2.gz UERJZNYHVQQPCE-UHFFFAOYSA-N -1 3 308.389 2.666 20 0 DFADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCCC3CC3)c2c1 ZINC000822195502 599077339 /nfs/dbraw/zinc/07/73/39/599077339.db2.gz UERJZNYHVQQPCE-UHFFFAOYSA-N -1 3 308.389 2.666 20 0 DFADHM O[C@H](CCNc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823674031 599085719 /nfs/dbraw/zinc/08/57/19/599085719.db2.gz OZBZRKNXSIWBKE-OAHLLOKOSA-N -1 3 313.336 2.541 20 0 DFADHM O[C@H](CCNc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823674031 599085722 /nfs/dbraw/zinc/08/57/22/599085722.db2.gz OZBZRKNXSIWBKE-OAHLLOKOSA-N -1 3 313.336 2.541 20 0 DFADHM O[C@H](CCNc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823675792 599086691 /nfs/dbraw/zinc/08/66/91/599086691.db2.gz ZRCNCTGCBGAHLL-OAHLLOKOSA-N -1 3 313.336 2.541 20 0 DFADHM CN(CCc1cccs1)c1cccc(F)c1-c1nnn[n-]1 ZINC000821607130 599088088 /nfs/dbraw/zinc/08/80/88/599088088.db2.gz AFTKGFSFXZNJLZ-UHFFFAOYSA-N -1 3 303.366 2.746 20 0 DFADHM CN(CCc1cccs1)c1cccc(F)c1-c1nn[n-]n1 ZINC000821607130 599088091 /nfs/dbraw/zinc/08/80/91/599088091.db2.gz AFTKGFSFXZNJLZ-UHFFFAOYSA-N -1 3 303.366 2.746 20 0 DFADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738021156 599096170 /nfs/dbraw/zinc/09/61/70/599096170.db2.gz PIWZYFMGASKKRG-GJZGRUSLSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738021156 599096173 /nfs/dbraw/zinc/09/61/73/599096173.db2.gz PIWZYFMGASKKRG-GJZGRUSLSA-N -1 3 311.389 2.565 20 0 DFADHM CCSCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000821461754 599107212 /nfs/dbraw/zinc/10/72/12/599107212.db2.gz SMGROZFRQSOBAA-QMMMGPOBSA-N -1 3 312.830 2.859 20 0 DFADHM CCSCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000821461754 599107215 /nfs/dbraw/zinc/10/72/15/599107215.db2.gz SMGROZFRQSOBAA-QMMMGPOBSA-N -1 3 312.830 2.859 20 0 DFADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1c[nH]c(-c2ccccc2)n1 ZINC000819709608 599109324 /nfs/dbraw/zinc/10/93/24/599109324.db2.gz LXNZCRUHMLDQQB-CMDGGOBGSA-N -1 3 315.340 2.822 20 0 DFADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1c[nH]c(-c2ccccc2)n1 ZINC000819709608 599109327 /nfs/dbraw/zinc/10/93/27/599109327.db2.gz LXNZCRUHMLDQQB-CMDGGOBGSA-N -1 3 315.340 2.822 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(CSC[C@@H]2CCCOC2)c1 ZINC000822757691 607258604 /nfs/dbraw/zinc/25/86/04/607258604.db2.gz DAOAHRLLHNYVLA-SNVBAGLBSA-N -1 3 308.382 2.666 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(CSC[C@@H]2CCCOC2)c1 ZINC000822757691 607258605 /nfs/dbraw/zinc/25/86/05/607258605.db2.gz DAOAHRLLHNYVLA-SNVBAGLBSA-N -1 3 308.382 2.666 20 0 DFADHM CCO[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC000736609884 599119141 /nfs/dbraw/zinc/11/91/41/599119141.db2.gz GTBOEIIIOTYEIM-OLZOCXBDSA-N -1 3 317.368 2.765 20 0 DFADHM CCO[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC000736609884 599119142 /nfs/dbraw/zinc/11/91/42/599119142.db2.gz GTBOEIIIOTYEIM-OLZOCXBDSA-N -1 3 317.368 2.765 20 0 DFADHM COCc1nc(CSc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821696740 599125805 /nfs/dbraw/zinc/12/58/05/599125805.db2.gz ODCLDIANCGDYKO-UHFFFAOYSA-N -1 3 319.415 2.762 20 0 DFADHM COCc1nc(CSc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821696740 599125808 /nfs/dbraw/zinc/12/58/08/599125808.db2.gz ODCLDIANCGDYKO-UHFFFAOYSA-N -1 3 319.415 2.762 20 0 DFADHM CC(C)[C@H](C)S[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820550186 599130738 /nfs/dbraw/zinc/13/07/38/599130738.db2.gz VKEFLHFBVLPBID-WDEREUQCSA-N -1 3 319.434 2.971 20 0 DFADHM CC(C)[C@H](C)S[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820550186 599130739 /nfs/dbraw/zinc/13/07/39/599130739.db2.gz VKEFLHFBVLPBID-WDEREUQCSA-N -1 3 319.434 2.971 20 0 DFADHM CN(C(=O)c1cccc2cc[nH]c21)c1cccc(-c2nnn[n-]2)c1 ZINC000821574699 599144795 /nfs/dbraw/zinc/14/47/95/599144795.db2.gz SPHROVDOFJNPDS-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM CN(C(=O)c1cccc2cc[nH]c21)c1cccc(-c2nn[n-]n2)c1 ZINC000821574699 599144798 /nfs/dbraw/zinc/14/47/98/599144798.db2.gz SPHROVDOFJNPDS-UHFFFAOYSA-N -1 3 318.340 2.625 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822227311 599147971 /nfs/dbraw/zinc/14/79/71/599147971.db2.gz CZLAIOADFHLAHQ-LLVKDONJSA-N -1 3 311.345 2.535 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822227311 599147975 /nfs/dbraw/zinc/14/79/75/599147975.db2.gz CZLAIOADFHLAHQ-LLVKDONJSA-N -1 3 311.345 2.535 20 0 DFADHM COc1cccc(CSc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000737132830 599166305 /nfs/dbraw/zinc/16/63/05/599166305.db2.gz RRVJCGKVHULNBQ-UHFFFAOYSA-N -1 3 317.349 2.702 20 0 DFADHM COc1cccc(CSc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000737132830 599166307 /nfs/dbraw/zinc/16/63/07/599166307.db2.gz RRVJCGKVHULNBQ-UHFFFAOYSA-N -1 3 317.349 2.702 20 0 DFADHM CCc1nnc([C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000736705910 599171364 /nfs/dbraw/zinc/17/13/64/599171364.db2.gz CJRMLPJYLUZBCH-ZETCQYMHSA-N -1 3 320.353 2.805 20 0 DFADHM CCc1nnc([C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000736705910 599171365 /nfs/dbraw/zinc/17/13/65/599171365.db2.gz CJRMLPJYLUZBCH-ZETCQYMHSA-N -1 3 320.353 2.805 20 0 DFADHM CCCC(C)(C)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736416440 599187460 /nfs/dbraw/zinc/18/74/60/599187460.db2.gz NJAWZEKBSOXAHW-LLVKDONJSA-N -1 3 316.409 2.806 20 0 DFADHM CCCC(C)(C)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736416440 599187463 /nfs/dbraw/zinc/18/74/63/599187463.db2.gz NJAWZEKBSOXAHW-LLVKDONJSA-N -1 3 316.409 2.806 20 0 DFADHM Cc1nc(Cl)cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822449501 599357449 /nfs/dbraw/zinc/35/74/49/599357449.db2.gz BRJKSNKDUITCQB-QMMMGPOBSA-N -1 3 315.768 2.792 20 0 DFADHM Cc1nc(Cl)cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822449501 599357452 /nfs/dbraw/zinc/35/74/52/599357452.db2.gz BRJKSNKDUITCQB-QMMMGPOBSA-N -1 3 315.768 2.792 20 0 DFADHM Cc1nc(Cl)cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822449500 599357657 /nfs/dbraw/zinc/35/76/57/599357657.db2.gz BRJKSNKDUITCQB-MRVPVSSYSA-N -1 3 315.768 2.792 20 0 DFADHM Cc1nc(Cl)cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822449500 599357660 /nfs/dbraw/zinc/35/76/60/599357660.db2.gz BRJKSNKDUITCQB-MRVPVSSYSA-N -1 3 315.768 2.792 20 0 DFADHM Cc1ccc(F)c(CNCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737344485 599213205 /nfs/dbraw/zinc/21/32/05/599213205.db2.gz GNQAOTRVVNDICV-UHFFFAOYSA-N -1 3 315.327 2.743 20 0 DFADHM Cc1ccc(F)c(CNCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737344485 599213207 /nfs/dbraw/zinc/21/32/07/599213207.db2.gz GNQAOTRVVNDICV-UHFFFAOYSA-N -1 3 315.327 2.743 20 0 DFADHM FC(F)(F)CCCNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000822714272 599358700 /nfs/dbraw/zinc/35/87/00/599358700.db2.gz JGTWBJLQVYAHKM-UHFFFAOYSA-N -1 3 322.294 2.591 20 0 DFADHM FC(F)(F)CCCNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000822714272 599358702 /nfs/dbraw/zinc/35/87/02/599358702.db2.gz JGTWBJLQVYAHKM-UHFFFAOYSA-N -1 3 322.294 2.591 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000737801785 599225087 /nfs/dbraw/zinc/22/50/87/599225087.db2.gz UJMORKMSQJTMNC-HMDHADNKSA-N -1 3 323.400 2.671 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000737801785 599225088 /nfs/dbraw/zinc/22/50/88/599225088.db2.gz UJMORKMSQJTMNC-HMDHADNKSA-N -1 3 323.400 2.671 20 0 DFADHM CC(C)[C@@H]1CCCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000735751212 599225974 /nfs/dbraw/zinc/22/59/74/599225974.db2.gz VLAXMZXVQYFNSA-NSHDSACASA-N -1 3 305.407 2.579 20 0 DFADHM CC(C)[C@@H]1CCCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000735751212 599225977 /nfs/dbraw/zinc/22/59/77/599225977.db2.gz VLAXMZXVQYFNSA-NSHDSACASA-N -1 3 305.407 2.579 20 0 DFADHM CCc1ccccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821491906 607264439 /nfs/dbraw/zinc/26/44/39/607264439.db2.gz BVMGOBNULHXQEG-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM CCc1ccccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821491906 607264440 /nfs/dbraw/zinc/26/44/40/607264440.db2.gz BVMGOBNULHXQEG-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM CSc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)o1 ZINC000821978758 607266943 /nfs/dbraw/zinc/26/69/43/607266943.db2.gz MRLIMSOVSWKRBL-UHFFFAOYSA-N -1 3 315.358 2.742 20 0 DFADHM CSc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)o1 ZINC000821978758 607266944 /nfs/dbraw/zinc/26/69/44/607266944.db2.gz MRLIMSOVSWKRBL-UHFFFAOYSA-N -1 3 315.358 2.742 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820698253 599240322 /nfs/dbraw/zinc/24/03/22/599240322.db2.gz RUQHGDZKIXXADW-NEPJUHHUSA-N -1 3 314.393 2.909 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820698253 599240324 /nfs/dbraw/zinc/24/03/24/599240324.db2.gz RUQHGDZKIXXADW-NEPJUHHUSA-N -1 3 314.393 2.909 20 0 DFADHM CC1(C)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820595852 599240609 /nfs/dbraw/zinc/24/06/09/599240609.db2.gz KKMNCMJFFQAJFC-UHFFFAOYSA-N -1 3 314.393 2.911 20 0 DFADHM CC1(C)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820595852 599240612 /nfs/dbraw/zinc/24/06/12/599240612.db2.gz KKMNCMJFFQAJFC-UHFFFAOYSA-N -1 3 314.393 2.911 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820870099 599243004 /nfs/dbraw/zinc/24/30/04/599243004.db2.gz MRMLABOSJANMSW-MNOVXSKESA-N -1 3 302.382 2.813 20 0 DFADHM CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820870099 599243005 /nfs/dbraw/zinc/24/30/05/599243005.db2.gz MRMLABOSJANMSW-MNOVXSKESA-N -1 3 302.382 2.813 20 0 DFADHM CCSCC[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821462269 599245442 /nfs/dbraw/zinc/24/54/42/599245442.db2.gz XXIFZOKMMLGMLZ-JTQLQIEISA-N -1 3 320.422 2.520 20 0 DFADHM CCSCC[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821462269 599245444 /nfs/dbraw/zinc/24/54/44/599245444.db2.gz XXIFZOKMMLGMLZ-JTQLQIEISA-N -1 3 320.422 2.520 20 0 DFADHM CN(C(=O)/C=C\C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000736731463 599249026 /nfs/dbraw/zinc/24/90/26/599249026.db2.gz DPPGUGRMIFXHDI-KHPPLWFESA-N -1 3 311.389 2.966 20 0 DFADHM CN(C(=O)/C=C\C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000736731463 599249029 /nfs/dbraw/zinc/24/90/29/599249029.db2.gz DPPGUGRMIFXHDI-KHPPLWFESA-N -1 3 311.389 2.966 20 0 DFADHM C[C@H]1C[C@H](C)CN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000736225778 599252314 /nfs/dbraw/zinc/25/23/14/599252314.db2.gz DICWVJWOPGXRKL-RYUDHWBXSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@H]1C[C@H](C)CN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000736225778 599252316 /nfs/dbraw/zinc/25/23/16/599252316.db2.gz DICWVJWOPGXRKL-RYUDHWBXSA-N -1 3 308.389 2.897 20 0 DFADHM Cc1c(NC(=O)N(C)C2CCCC2)cccc1-c1nnn[n-]1 ZINC000822076782 607282135 /nfs/dbraw/zinc/28/21/35/607282135.db2.gz RVYWCPBCCKBOQG-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM Cc1c(NC(=O)N(C)C2CCCC2)cccc1-c1nn[n-]n1 ZINC000822076782 607282136 /nfs/dbraw/zinc/28/21/36/607282136.db2.gz RVYWCPBCCKBOQG-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM Cc1c(NC(=O)N2CCCCCCC2)cccc1-c1nnn[n-]1 ZINC000822084768 607283969 /nfs/dbraw/zinc/28/39/69/607283969.db2.gz OTIIHAKUHPGTBQ-UHFFFAOYSA-N -1 3 314.393 2.973 20 0 DFADHM Cc1c(NC(=O)N2CCCCCCC2)cccc1-c1nn[n-]n1 ZINC000822084768 607283970 /nfs/dbraw/zinc/28/39/70/607283970.db2.gz OTIIHAKUHPGTBQ-UHFFFAOYSA-N -1 3 314.393 2.973 20 0 DFADHM CCC[C@H](CC)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821014714 607290204 /nfs/dbraw/zinc/29/02/04/607290204.db2.gz KEEKUIQOAJWKHX-NSHDSACASA-N -1 3 302.382 2.875 20 0 DFADHM CCC[C@H](CC)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821014714 607290205 /nfs/dbraw/zinc/29/02/05/607290205.db2.gz KEEKUIQOAJWKHX-NSHDSACASA-N -1 3 302.382 2.875 20 0 DFADHM Cc1c(NC(=O)N2CCCC[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822083933 607290509 /nfs/dbraw/zinc/29/05/09/607290509.db2.gz FNDHWRZZANNAMU-SNVBAGLBSA-N -1 3 300.366 2.581 20 0 DFADHM Cc1c(NC(=O)N2CCCC[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822083933 607290510 /nfs/dbraw/zinc/29/05/10/607290510.db2.gz FNDHWRZZANNAMU-SNVBAGLBSA-N -1 3 300.366 2.581 20 0 DFADHM Cc1cc(F)cc(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822203092 607307222 /nfs/dbraw/zinc/30/72/22/607307222.db2.gz DKBQMBURBWDTEP-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM COc1c(F)cc(NCc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000821698584 607310049 /nfs/dbraw/zinc/31/00/49/607310049.db2.gz PXKCLUKIKRXKFY-UHFFFAOYSA-N -1 3 323.328 2.827 20 0 DFADHM COc1c(F)cc(NCc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000821698584 607310050 /nfs/dbraw/zinc/31/00/50/607310050.db2.gz PXKCLUKIKRXKFY-UHFFFAOYSA-N -1 3 323.328 2.827 20 0 DFADHM c1cn(-c2cccc(NCc3ccc(-c4nnn[n-]4)cc3)c2)cn1 ZINC000823756721 607313712 /nfs/dbraw/zinc/31/37/12/607313712.db2.gz GAPGIQRYIOFUJB-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM c1cn(-c2cccc(NCc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000823756721 607313713 /nfs/dbraw/zinc/31/37/13/607313713.db2.gz GAPGIQRYIOFUJB-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM C[C@H](Nc1nnc(C2CC2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461386 607304546 /nfs/dbraw/zinc/30/45/46/607304546.db2.gz JBCWCKWALNSGGB-QMMMGPOBSA-N -1 3 313.390 2.769 20 0 DFADHM C[C@H](Nc1nnc(C2CC2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461386 607304547 /nfs/dbraw/zinc/30/45/47/607304547.db2.gz JBCWCKWALNSGGB-QMMMGPOBSA-N -1 3 313.390 2.769 20 0 DFADHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@H](C(=O)[O-])C1 ZINC000246548086 597536034 /nfs/dbraw/zinc/53/60/34/597536034.db2.gz SXKLVEULRDPZAP-IUODEOHRSA-N -1 3 312.369 2.573 20 0 DFADHM CCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC ZINC000736438277 599274610 /nfs/dbraw/zinc/27/46/10/599274610.db2.gz HZQNWGFUSOIHST-UHFFFAOYSA-N -1 3 302.382 2.817 20 0 DFADHM COc1cccc(COc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000737133031 599288416 /nfs/dbraw/zinc/28/84/16/599288416.db2.gz VTKUSRRGXFNLMO-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COc1cccc(COc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000737133031 599288417 /nfs/dbraw/zinc/28/84/17/599288417.db2.gz VTKUSRRGXFNLMO-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COC(=O)C[C@@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736912555 599290429 /nfs/dbraw/zinc/29/04/29/599290429.db2.gz OXZCZOPFOQDDTF-ZJUUUORDSA-N -1 3 306.391 2.613 20 0 DFADHM COC(=O)C[C@@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736912555 599290431 /nfs/dbraw/zinc/29/04/31/599290431.db2.gz OXZCZOPFOQDDTF-ZJUUUORDSA-N -1 3 306.391 2.613 20 0 DFADHM Cc1cn(Cc2cccc(OC(F)F)c2)cc1-c1nnn[n-]1 ZINC000822384071 607330083 /nfs/dbraw/zinc/33/00/83/607330083.db2.gz GTKKTUXADQMHEE-UHFFFAOYSA-N -1 3 305.288 2.626 20 0 DFADHM Cc1cn(Cc2cccc(OC(F)F)c2)cc1-c1nn[n-]n1 ZINC000822384071 607330084 /nfs/dbraw/zinc/33/00/84/607330084.db2.gz GTKKTUXADQMHEE-UHFFFAOYSA-N -1 3 305.288 2.626 20 0 DFADHM Cc1c([C@H](C)NCCCCC(=O)[O-])nnn1-c1ccc(C)cc1 ZINC000821058225 598171415 /nfs/dbraw/zinc/17/14/15/598171415.db2.gz DDCGHXCASQHHCK-ZDUSSCGKSA-N -1 3 316.405 2.790 20 0 DFADHM CCOc1ccc(-c2nc(CN[C@@H](C(=O)[O-])C(C)C)co2)cc1 ZINC000820382676 598188168 /nfs/dbraw/zinc/18/81/68/598188168.db2.gz DBLJDHHZFALDLV-OAHLLOKOSA-N -1 3 318.373 2.939 20 0 DFADHM Cc1ccn2cc(CNc3ccc(-c4nn[n-]n4)cc3F)nc2c1 ZINC000737436139 598240713 /nfs/dbraw/zinc/24/07/13/598240713.db2.gz LNJFTDXYPQJLQG-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737409019 598241400 /nfs/dbraw/zinc/24/14/00/598241400.db2.gz LZNUNPHGJATBFP-INIZCTEOSA-N -1 3 319.368 2.592 20 0 DFADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737409019 598241401 /nfs/dbraw/zinc/24/14/01/598241401.db2.gz LZNUNPHGJATBFP-INIZCTEOSA-N -1 3 319.368 2.592 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NCCOC1CCCCC1 ZINC000737641777 598242463 /nfs/dbraw/zinc/24/24/63/598242463.db2.gz YHEFNEJSNGRTFX-UHFFFAOYSA-N -1 3 305.357 2.767 20 0 DFADHM CCc1cccc2c1OCC[C@H]2Nc1ncccc1-c1nnn[n-]1 ZINC000736696569 598248111 /nfs/dbraw/zinc/24/81/11/598248111.db2.gz ZNWVQHQFBDZMTI-CQSZACIVSA-N -1 3 322.372 2.760 20 0 DFADHM CCc1cccc2c1OCC[C@H]2Nc1ncccc1-c1nn[n-]n1 ZINC000736696569 598248112 /nfs/dbraw/zinc/24/81/12/598248112.db2.gz ZNWVQHQFBDZMTI-CQSZACIVSA-N -1 3 322.372 2.760 20 0 DFADHM CC[C@@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736322992 598279504 /nfs/dbraw/zinc/27/95/04/598279504.db2.gz SPHLNPXWMPKHAI-SNVBAGLBSA-N -1 3 319.413 2.685 20 0 DFADHM CC[C@@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736322992 598279505 /nfs/dbraw/zinc/27/95/05/598279505.db2.gz SPHLNPXWMPKHAI-SNVBAGLBSA-N -1 3 319.413 2.685 20 0 DFADHM CCCCN(C(=O)Nc1sccc1-c1nnn[n-]1)C1CC1 ZINC000736451325 598331956 /nfs/dbraw/zinc/33/19/56/598331956.db2.gz KGTLCJJEFPQKCE-UHFFFAOYSA-N -1 3 306.395 2.725 20 0 DFADHM CCCCN(C(=O)Nc1sccc1-c1nn[n-]n1)C1CC1 ZINC000736451325 598331957 /nfs/dbraw/zinc/33/19/57/598331957.db2.gz KGTLCJJEFPQKCE-UHFFFAOYSA-N -1 3 306.395 2.725 20 0 DFADHM C[C@H]1OCC[C@@H]1SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825021894 607845398 /nfs/dbraw/zinc/84/53/98/607845398.db2.gz VBQIMNHVSMBLKW-RISCZKNCSA-N -1 3 320.418 2.546 20 0 DFADHM C[C@H]1OCC[C@@H]1SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825021894 607845399 /nfs/dbraw/zinc/84/53/99/607845399.db2.gz VBQIMNHVSMBLKW-RISCZKNCSA-N -1 3 320.418 2.546 20 0 DFADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cccc(F)c1F ZINC000738232928 598361131 /nfs/dbraw/zinc/36/11/31/598361131.db2.gz BACCWQRRLMWRKN-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000738232928 598361133 /nfs/dbraw/zinc/36/11/33/598361133.db2.gz BACCWQRRLMWRKN-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM Fc1cccc(N2CC[C@H](Nc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000737662218 598374312 /nfs/dbraw/zinc/37/43/12/598374312.db2.gz RZMDZFDDEQIQAY-ZDUSSCGKSA-N -1 3 324.363 2.697 20 0 DFADHM Fc1cccc(N2CC[C@H](Nc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000737662218 598374314 /nfs/dbraw/zinc/37/43/14/598374314.db2.gz RZMDZFDDEQIQAY-ZDUSSCGKSA-N -1 3 324.363 2.697 20 0 DFADHM CC1(C)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736210247 598385029 /nfs/dbraw/zinc/38/50/29/598385029.db2.gz BLOMYCSIHFESHJ-BQYQJAHWSA-N -1 3 311.389 2.529 20 0 DFADHM CC1(C)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736210247 598385031 /nfs/dbraw/zinc/38/50/31/598385031.db2.gz BLOMYCSIHFESHJ-BQYQJAHWSA-N -1 3 311.389 2.529 20 0 DFADHM Cc1nc(Cl)cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737480394 598392851 /nfs/dbraw/zinc/39/28/51/598392851.db2.gz ONOOHVOPLDCKPB-QMMMGPOBSA-N -1 3 315.768 2.792 20 0 DFADHM Cc1nc(Cl)cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480394 598392852 /nfs/dbraw/zinc/39/28/52/598392852.db2.gz ONOOHVOPLDCKPB-QMMMGPOBSA-N -1 3 315.768 2.792 20 0 DFADHM C[C@H](NC(=O)N(C)CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112776 598412177 /nfs/dbraw/zinc/41/21/77/598412177.db2.gz UQXJSHTUFGSVMC-NSHDSACASA-N -1 3 316.409 2.615 20 0 DFADHM C[C@H](NC(=O)N(C)CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112776 598412178 /nfs/dbraw/zinc/41/21/78/598412178.db2.gz UQXJSHTUFGSVMC-NSHDSACASA-N -1 3 316.409 2.615 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000737344303 598415575 /nfs/dbraw/zinc/41/55/75/598415575.db2.gz DAWCPQWFFMQQBB-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000737344303 598415576 /nfs/dbraw/zinc/41/55/76/598415576.db2.gz DAWCPQWFFMQQBB-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM CN(Cc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1F ZINC000736815041 598421892 /nfs/dbraw/zinc/42/18/92/598421892.db2.gz PWONUPBOIDMIKY-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1F ZINC000736815041 598421894 /nfs/dbraw/zinc/42/18/94/598421894.db2.gz PWONUPBOIDMIKY-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM COc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737103950 598423559 /nfs/dbraw/zinc/42/35/59/598423559.db2.gz MFEYLGBKYBAPNN-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM COc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737103950 598423561 /nfs/dbraw/zinc/42/35/61/598423561.db2.gz MFEYLGBKYBAPNN-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM O=C(Oc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cn1 ZINC000738246986 598436149 /nfs/dbraw/zinc/43/61/49/598436149.db2.gz LHUDDMFHQOMHLG-UHFFFAOYSA-N -1 3 317.308 2.634 20 0 DFADHM O=C(Oc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cn1 ZINC000738246986 598436151 /nfs/dbraw/zinc/43/61/51/598436151.db2.gz LHUDDMFHQOMHLG-UHFFFAOYSA-N -1 3 317.308 2.634 20 0 DFADHM O=C(Oc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738247595 598436612 /nfs/dbraw/zinc/43/66/12/598436612.db2.gz SCVVPSRJJMRYOL-UHFFFAOYSA-N -1 3 317.308 2.634 20 0 DFADHM O=C(Oc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738247595 598436613 /nfs/dbraw/zinc/43/66/13/598436613.db2.gz SCVVPSRJJMRYOL-UHFFFAOYSA-N -1 3 317.308 2.634 20 0 DFADHM CCN(C(=O)c1sccc1-c1nnn[n-]1)[C@H]1CCCC[C@H]1C ZINC000736507107 598445858 /nfs/dbraw/zinc/44/58/58/598445858.db2.gz ADWOACLECKGYAC-PWSUYJOCSA-N -1 3 319.434 2.969 20 0 DFADHM CCN(C(=O)c1sccc1-c1nn[n-]n1)[C@H]1CCCC[C@H]1C ZINC000736507107 598445859 /nfs/dbraw/zinc/44/58/59/598445859.db2.gz ADWOACLECKGYAC-PWSUYJOCSA-N -1 3 319.434 2.969 20 0 DFADHM CCCCCCOCC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736447027 598449449 /nfs/dbraw/zinc/44/94/49/598449449.db2.gz MHFSGMNBNVSMAM-UHFFFAOYSA-N -1 3 317.393 2.711 20 0 DFADHM CCCCCCOCC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736447027 598449447 /nfs/dbraw/zinc/44/94/47/598449447.db2.gz MHFSGMNBNVSMAM-UHFFFAOYSA-N -1 3 317.393 2.711 20 0 DFADHM C[C@@H](NCc1coc(C2CC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736133038 598466699 /nfs/dbraw/zinc/46/66/99/598466699.db2.gz ZCVTUJRFQAWUPA-SNVBAGLBSA-N -1 3 310.361 2.583 20 0 DFADHM C[C@@H](NCc1coc(C2CC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736133038 598466701 /nfs/dbraw/zinc/46/67/01/598466701.db2.gz ZCVTUJRFQAWUPA-SNVBAGLBSA-N -1 3 310.361 2.583 20 0 DFADHM CCCCCCOCC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736448477 598475355 /nfs/dbraw/zinc/47/53/55/598475355.db2.gz ZWHGHPBQGJLGHQ-UHFFFAOYSA-N -1 3 318.377 2.507 20 0 DFADHM CCCCCCOCC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736448477 598475356 /nfs/dbraw/zinc/47/53/56/598475356.db2.gz ZWHGHPBQGJLGHQ-UHFFFAOYSA-N -1 3 318.377 2.507 20 0 DFADHM Cc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000737314409 598483395 /nfs/dbraw/zinc/48/33/95/598483395.db2.gz CQQRPWOYGLOMDM-GFCCVEGCSA-N -1 3 323.356 2.797 20 0 DFADHM Cc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000737314409 598483396 /nfs/dbraw/zinc/48/33/96/598483396.db2.gz CQQRPWOYGLOMDM-GFCCVEGCSA-N -1 3 323.356 2.797 20 0 DFADHM O=C(OC[C@@H]1CCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738221739 598485843 /nfs/dbraw/zinc/48/58/43/598485843.db2.gz OTFAOPCBXQQJLV-HNNXBMFYSA-N -1 3 320.352 2.754 20 0 DFADHM O=C(OC[C@@H]1CCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738221739 598485845 /nfs/dbraw/zinc/48/58/45/598485845.db2.gz OTFAOPCBXQQJLV-HNNXBMFYSA-N -1 3 320.352 2.754 20 0 DFADHM CC(C)(C)OC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735622964 598516016 /nfs/dbraw/zinc/51/60/16/598516016.db2.gz CLBXRCWEFZIIBT-UHFFFAOYSA-N -1 3 315.377 2.766 20 0 DFADHM CC(C)(C)OC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735622964 598516018 /nfs/dbraw/zinc/51/60/18/598516018.db2.gz CLBXRCWEFZIIBT-UHFFFAOYSA-N -1 3 315.377 2.766 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1F ZINC000738251797 598530927 /nfs/dbraw/zinc/53/09/27/598530927.db2.gz SAUZRCPKVSZNCZ-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1F ZINC000738251797 598530929 /nfs/dbraw/zinc/53/09/29/598530929.db2.gz SAUZRCPKVSZNCZ-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM CC[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736402565 598534614 /nfs/dbraw/zinc/53/46/14/598534614.db2.gz NZFFOUMUTMZWLX-LBPRGKRZSA-N -1 3 300.366 2.581 20 0 DFADHM CC[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736402565 598534615 /nfs/dbraw/zinc/53/46/15/598534615.db2.gz NZFFOUMUTMZWLX-LBPRGKRZSA-N -1 3 300.366 2.581 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2ccccc21 ZINC000737222055 598551419 /nfs/dbraw/zinc/55/14/19/598551419.db2.gz USIZBOXRSAJDPN-UHFFFAOYSA-N -1 3 304.313 2.911 20 0 DFADHM Cc1ccc(C)c(CC(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737323267 598559175 /nfs/dbraw/zinc/55/91/75/598559175.db2.gz SBUMBWYZPQQENA-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM Cc1ccc(C)c(CC(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737323267 598559176 /nfs/dbraw/zinc/55/91/76/598559176.db2.gz SBUMBWYZPQQENA-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM O=C(C=Cc1ccsc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737809438 598589436 /nfs/dbraw/zinc/58/94/36/598589436.db2.gz WDSXYQLAPHJIMX-DAFODLJHSA-N -1 3 315.333 2.719 20 0 DFADHM O=C(C=Cc1ccsc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737809438 598589437 /nfs/dbraw/zinc/58/94/37/598589437.db2.gz WDSXYQLAPHJIMX-DAFODLJHSA-N -1 3 315.333 2.719 20 0 DFADHM C[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccn1 ZINC000736137829 598592217 /nfs/dbraw/zinc/59/22/17/598592217.db2.gz MLVHEAGXWKWWQL-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000736137829 598592218 /nfs/dbraw/zinc/59/22/18/598592218.db2.gz MLVHEAGXWKWWQL-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM O=C(C=Cc1cccs1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737806417 598592695 /nfs/dbraw/zinc/59/26/95/598592695.db2.gz LKBKWGASJUIWTO-XQRVVYSFSA-N -1 3 315.333 2.719 20 0 DFADHM O=C(C=Cc1cccs1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737806417 598592696 /nfs/dbraw/zinc/59/26/96/598592696.db2.gz LKBKWGASJUIWTO-XQRVVYSFSA-N -1 3 315.333 2.719 20 0 DFADHM O=C(CCC1CCCC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737824583 598592748 /nfs/dbraw/zinc/59/27/48/598592748.db2.gz RWGYLLONAYJBEI-UHFFFAOYSA-N -1 3 303.341 2.915 20 0 DFADHM O=C(CCC1CCCC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737824583 598592750 /nfs/dbraw/zinc/59/27/50/598592750.db2.gz RWGYLLONAYJBEI-UHFFFAOYSA-N -1 3 303.341 2.915 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000738167203 598592868 /nfs/dbraw/zinc/59/28/68/598592868.db2.gz OWIUUNOQFIUFRZ-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000738167203 598592869 /nfs/dbraw/zinc/59/28/69/598592869.db2.gz OWIUUNOQFIUFRZ-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM CC(C)Cc1noc([C@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000735851278 598610639 /nfs/dbraw/zinc/61/06/39/598610639.db2.gz ORJVTRQCPMRGFG-JTQLQIEISA-N -1 3 314.349 2.588 20 0 DFADHM CC(C)Cc1noc([C@H](C)Oc2ccccc2-c2nn[n-]n2)n1 ZINC000735851278 598610641 /nfs/dbraw/zinc/61/06/41/598610641.db2.gz ORJVTRQCPMRGFG-JTQLQIEISA-N -1 3 314.349 2.588 20 0 DFADHM CN(CC(C)(C)C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736788479 598626172 /nfs/dbraw/zinc/62/61/72/598626172.db2.gz LLJKCUCKUFNMDD-UHFFFAOYSA-N -1 3 306.345 2.516 20 0 DFADHM CN(CC(C)(C)C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736788479 598626173 /nfs/dbraw/zinc/62/61/73/598626173.db2.gz LLJKCUCKUFNMDD-UHFFFAOYSA-N -1 3 306.345 2.516 20 0 DFADHM COc1cccc(CN(C)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737131955 598629563 /nfs/dbraw/zinc/62/95/63/598629563.db2.gz SDUPTXUTMHRNSN-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM COc1cccc(CN(C)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737131955 598629564 /nfs/dbraw/zinc/62/95/64/598629564.db2.gz SDUPTXUTMHRNSN-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM CC(C)CC[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735797428 598629849 /nfs/dbraw/zinc/62/98/49/598629849.db2.gz PFSWMOFRVUWTND-JTQLQIEISA-N -1 3 320.372 2.952 20 0 DFADHM CC(C)CC[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735797428 598629851 /nfs/dbraw/zinc/62/98/51/598629851.db2.gz PFSWMOFRVUWTND-JTQLQIEISA-N -1 3 320.372 2.952 20 0 DFADHM C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736259018 598631843 /nfs/dbraw/zinc/63/18/43/598631843.db2.gz IIVMBEHINGWDPZ-VHSXEESVSA-N -1 3 318.356 2.706 20 0 DFADHM C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736259018 598631844 /nfs/dbraw/zinc/63/18/44/598631844.db2.gz IIVMBEHINGWDPZ-VHSXEESVSA-N -1 3 318.356 2.706 20 0 DFADHM CCn1ccnc1SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736722792 598644288 /nfs/dbraw/zinc/64/42/88/598644288.db2.gz SVCQGNBYVKNKEO-UHFFFAOYSA-N -1 3 304.354 2.515 20 0 DFADHM CCn1ccnc1SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736722792 598644290 /nfs/dbraw/zinc/64/42/90/598644290.db2.gz SVCQGNBYVKNKEO-UHFFFAOYSA-N -1 3 304.354 2.515 20 0 DFADHM CCN(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736509545 598653106 /nfs/dbraw/zinc/65/31/06/598653106.db2.gz GHSQZMLDAVIRDO-UHFFFAOYSA-N -1 3 323.356 2.751 20 0 DFADHM CCN(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736509545 598653108 /nfs/dbraw/zinc/65/31/08/598653108.db2.gz GHSQZMLDAVIRDO-UHFFFAOYSA-N -1 3 323.356 2.751 20 0 DFADHM CC[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736331107 598658293 /nfs/dbraw/zinc/65/82/93/598658293.db2.gz IALUAYCXZQAMRM-GFCCVEGCSA-N -1 3 322.372 2.784 20 0 DFADHM CC[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736331107 598658295 /nfs/dbraw/zinc/65/82/95/598658295.db2.gz IALUAYCXZQAMRM-GFCCVEGCSA-N -1 3 322.372 2.784 20 0 DFADHM COc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737111245 598674645 /nfs/dbraw/zinc/67/46/45/598674645.db2.gz JYFPNXFUGRQOMO-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737111245 598674647 /nfs/dbraw/zinc/67/46/47/598674647.db2.gz JYFPNXFUGRQOMO-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM C[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccccc2O1 ZINC000736289139 598707287 /nfs/dbraw/zinc/70/72/87/598707287.db2.gz JZHWDMNDCQYRLT-GFCCVEGCSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000736289139 598707289 /nfs/dbraw/zinc/70/72/89/598707289.db2.gz JZHWDMNDCQYRLT-GFCCVEGCSA-N -1 3 307.357 2.654 20 0 DFADHM CC[C@H](C)CN(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736323702 598717020 /nfs/dbraw/zinc/71/70/20/598717020.db2.gz XZZZKUBKPJAZES-NWDGAFQWSA-N -1 3 316.409 2.615 20 0 DFADHM CC[C@H](C)CN(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736323702 598717021 /nfs/dbraw/zinc/71/70/21/598717021.db2.gz XZZZKUBKPJAZES-NWDGAFQWSA-N -1 3 316.409 2.615 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736058746 598741181 /nfs/dbraw/zinc/74/11/81/598741181.db2.gz OUAUPFKBUYXPCJ-JTQLQIEISA-N -1 3 313.386 2.746 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736058746 598741182 /nfs/dbraw/zinc/74/11/82/598741182.db2.gz OUAUPFKBUYXPCJ-JTQLQIEISA-N -1 3 313.386 2.746 20 0 DFADHM CC[C@H](C)[C@@](C)(O)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736333878 598774512 /nfs/dbraw/zinc/77/45/12/598774512.db2.gz VRZGDICDXCJVKP-XPTSAGLGSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@H](C)[C@@](C)(O)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736333878 598774514 /nfs/dbraw/zinc/77/45/14/598774514.db2.gz VRZGDICDXCJVKP-XPTSAGLGSA-N -1 3 309.801 2.729 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)ccc1F ZINC000821732860 607369151 /nfs/dbraw/zinc/36/91/51/607369151.db2.gz VXAGFQAGYUJCGS-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)ccc1F ZINC000821732860 607369152 /nfs/dbraw/zinc/36/91/52/607369152.db2.gz VXAGFQAGYUJCGS-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM C[C@@H]1CC[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)[C@@H](C)C1 ZINC000736245481 598817334 /nfs/dbraw/zinc/81/73/34/598817334.db2.gz SDUPAINOLBVHPC-UHIISALHSA-N -1 3 312.421 2.987 20 0 DFADHM C[C@@H]1CC[C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)[C@@H](C)C1 ZINC000736245481 598817335 /nfs/dbraw/zinc/81/73/35/598817335.db2.gz SDUPAINOLBVHPC-UHIISALHSA-N -1 3 312.421 2.987 20 0 DFADHM CC[C@H](CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736330318 598818372 /nfs/dbraw/zinc/81/83/72/598818372.db2.gz CFMGDGZWJNWDIP-GFCCVEGCSA-N -1 3 301.394 2.902 20 0 DFADHM CC[C@H](CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736330318 598818373 /nfs/dbraw/zinc/81/83/73/598818373.db2.gz CFMGDGZWJNWDIP-GFCCVEGCSA-N -1 3 301.394 2.902 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)c1coc2ccccc12 ZINC000738209178 598822524 /nfs/dbraw/zinc/82/25/24/598822524.db2.gz MSPWSGUOARJEPQ-UHFFFAOYSA-N -1 3 311.326 2.927 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)c1coc2ccccc12 ZINC000738209178 598822525 /nfs/dbraw/zinc/82/25/25/598822525.db2.gz MSPWSGUOARJEPQ-UHFFFAOYSA-N -1 3 311.326 2.927 20 0 DFADHM C[C@@H](NC(=O)NC1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357501 599299263 /nfs/dbraw/zinc/29/92/63/599299263.db2.gz HFTQYEMKOLTXAZ-LLVKDONJSA-N -1 3 314.393 2.560 20 0 DFADHM C[C@@H](NC(=O)NC1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357501 599299265 /nfs/dbraw/zinc/29/92/65/599299265.db2.gz HFTQYEMKOLTXAZ-LLVKDONJSA-N -1 3 314.393 2.560 20 0 DFADHM CN(C(=O)C=Cc1ccsc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736732864 599304101 /nfs/dbraw/zinc/30/41/01/599304101.db2.gz OZNMBYOHVWUFKE-UQCOIBPSSA-N -1 3 311.370 2.604 20 0 DFADHM CN(C(=O)C=Cc1ccsc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736732864 599304104 /nfs/dbraw/zinc/30/41/04/599304104.db2.gz OZNMBYOHVWUFKE-UQCOIBPSSA-N -1 3 311.370 2.604 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000735597461 599304439 /nfs/dbraw/zinc/30/44/39/599304439.db2.gz PASTXVWZEQZUTA-SMDDNHRTSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000735597461 599304441 /nfs/dbraw/zinc/30/44/41/599304441.db2.gz PASTXVWZEQZUTA-SMDDNHRTSA-N -1 3 316.409 2.515 20 0 DFADHM CN(C(=O)c1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736749789 599305443 /nfs/dbraw/zinc/30/54/43/599305443.db2.gz RRNVHIQRAYTWBX-UHFFFAOYSA-N -1 3 319.324 2.890 20 0 DFADHM CN(C(=O)c1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736749789 599305447 /nfs/dbraw/zinc/30/54/47/599305447.db2.gz RRNVHIQRAYTWBX-UHFFFAOYSA-N -1 3 319.324 2.890 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737310087 599306019 /nfs/dbraw/zinc/30/60/19/599306019.db2.gz WDUGOZBKQKQBQF-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737310087 599306020 /nfs/dbraw/zinc/30/60/20/599306020.db2.gz WDUGOZBKQKQBQF-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CCN(C(=O)C=Cc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503200 599310945 /nfs/dbraw/zinc/31/09/45/599310945.db2.gz TWHWEFHBFLGTGZ-KTKRTIGZSA-N -1 3 309.329 2.526 20 0 DFADHM CCN(C(=O)C=Cc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503200 599310948 /nfs/dbraw/zinc/31/09/48/599310948.db2.gz TWHWEFHBFLGTGZ-KTKRTIGZSA-N -1 3 309.329 2.526 20 0 DFADHM Cc1ccc(F)cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737344581 599311157 /nfs/dbraw/zinc/31/11/57/599311157.db2.gz HJFRETZDLOUUJP-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1ccc(F)cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737344581 599311159 /nfs/dbraw/zinc/31/11/59/599311159.db2.gz HJFRETZDLOUUJP-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Clc1cccc(SCCn2cc(-c3nnn[n-]3)cn2)c1 ZINC000737574535 599340303 /nfs/dbraw/zinc/34/03/03/599340303.db2.gz LOWLSBXGNZBTEP-UHFFFAOYSA-N -1 3 306.782 2.509 20 0 DFADHM Clc1cccc(SCCn2cc(-c3nn[n-]n3)cn2)c1 ZINC000737574535 599340308 /nfs/dbraw/zinc/34/03/08/599340308.db2.gz LOWLSBXGNZBTEP-UHFFFAOYSA-N -1 3 306.782 2.509 20 0 DFADHM FC(F)(F)CCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000822714379 599358495 /nfs/dbraw/zinc/35/84/95/599358495.db2.gz MRVANMJUGDCOEM-UHFFFAOYSA-N -1 3 306.679 2.670 20 0 DFADHM FC(F)(F)CCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000822714379 599358498 /nfs/dbraw/zinc/35/84/98/599358498.db2.gz MRVANMJUGDCOEM-UHFFFAOYSA-N -1 3 306.679 2.670 20 0 DFADHM C[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000820727664 599359197 /nfs/dbraw/zinc/35/91/97/599359197.db2.gz NMLBTQDOLWNIOC-DGCLKSJQSA-N -1 3 310.361 2.832 20 0 DFADHM C[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)[C@@H](c2ccco2)C1 ZINC000820727664 599359200 /nfs/dbraw/zinc/35/92/00/599359200.db2.gz NMLBTQDOLWNIOC-DGCLKSJQSA-N -1 3 310.361 2.832 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461501 599359626 /nfs/dbraw/zinc/35/96/26/599359626.db2.gz LAXASFFRKVMKIJ-LLVKDONJSA-N -1 3 323.356 2.811 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461501 599359628 /nfs/dbraw/zinc/35/96/28/599359628.db2.gz LAXASFFRKVMKIJ-LLVKDONJSA-N -1 3 323.356 2.811 20 0 DFADHM Clc1cccc(NCCc2ccccn2)c1-c1nnn[n-]1 ZINC000822585572 599367975 /nfs/dbraw/zinc/36/79/75/599367975.db2.gz FVFWYZSEORQESB-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1cccc(NCCc2ccccn2)c1-c1nn[n-]n1 ZINC000822585572 599367977 /nfs/dbraw/zinc/36/79/77/599367977.db2.gz FVFWYZSEORQESB-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000736244539 599376120 /nfs/dbraw/zinc/37/61/20/599376120.db2.gz JXBGQGGIIXZBPO-SUNKGSAMSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736244539 599376123 /nfs/dbraw/zinc/37/61/23/599376123.db2.gz JXBGQGGIIXZBPO-SUNKGSAMSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)CC(=O)N2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461492 599377825 /nfs/dbraw/zinc/37/78/25/599377825.db2.gz KXMHSUVOJHZUPP-SNVBAGLBSA-N -1 3 320.356 2.534 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)CC(=O)N2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461492 599377828 /nfs/dbraw/zinc/37/78/28/599377828.db2.gz KXMHSUVOJHZUPP-SNVBAGLBSA-N -1 3 320.356 2.534 20 0 DFADHM Cc1nc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)cs1 ZINC000737471902 599401670 /nfs/dbraw/zinc/40/16/70/599401670.db2.gz PALHMEUELCGIIF-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1nc(CCNc2cc(Cl)ccc2-c2nn[n-]n2)cs1 ZINC000737471902 599401673 /nfs/dbraw/zinc/40/16/73/599401673.db2.gz PALHMEUELCGIIF-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM CCCOc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821133837 599406691 /nfs/dbraw/zinc/40/66/91/599406691.db2.gz GVYCCVUKQWEWJF-UHFFFAOYSA-N -1 3 313.361 2.538 20 0 DFADHM CCOc1ccccc1[C@@H](C)NCc1ccc(-c2nnn[n-]2)o1 ZINC000821431409 599419695 /nfs/dbraw/zinc/41/96/95/599419695.db2.gz TTYYGYVAEOGVKG-LLVKDONJSA-N -1 3 313.361 2.709 20 0 DFADHM CCOc1ccccc1[C@@H](C)NCc1ccc(-c2nn[n-]n2)o1 ZINC000821431409 599419698 /nfs/dbraw/zinc/41/96/98/599419698.db2.gz TTYYGYVAEOGVKG-LLVKDONJSA-N -1 3 313.361 2.709 20 0 DFADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000820920123 599423638 /nfs/dbraw/zinc/42/36/38/599423638.db2.gz LGTMVHSPYHOPRP-SMDDNHRTSA-N -1 3 316.409 2.662 20 0 DFADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000820920123 599423640 /nfs/dbraw/zinc/42/36/40/599423640.db2.gz LGTMVHSPYHOPRP-SMDDNHRTSA-N -1 3 316.409 2.662 20 0 DFADHM CC[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000736405252 599435781 /nfs/dbraw/zinc/43/57/81/599435781.db2.gz FDPUHQJWVDAKKB-GXSJLCMTSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736405252 599435782 /nfs/dbraw/zinc/43/57/82/599435782.db2.gz FDPUHQJWVDAKKB-GXSJLCMTSA-N -1 3 307.785 2.524 20 0 DFADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ncccc1-c1nnn[n-]1 ZINC000736234224 599471963 /nfs/dbraw/zinc/47/19/63/599471963.db2.gz IQFDTJDESPHJSF-AAEUAGOBSA-N -1 3 324.363 2.783 20 0 DFADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ncccc1-c1nn[n-]n1 ZINC000736234224 599471965 /nfs/dbraw/zinc/47/19/65/599471965.db2.gz IQFDTJDESPHJSF-AAEUAGOBSA-N -1 3 324.363 2.783 20 0 DFADHM CC(C)[C@H](C)CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820358863 599485719 /nfs/dbraw/zinc/48/57/19/599485719.db2.gz PSFKCGARESOQHH-VXGBXAGGSA-N -1 3 316.409 2.519 20 0 DFADHM CC(C)[C@H](C)CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820358863 599485722 /nfs/dbraw/zinc/48/57/22/599485722.db2.gz PSFKCGARESOQHH-VXGBXAGGSA-N -1 3 316.409 2.519 20 0 DFADHM COc1cc(CNc2ccc(F)cc2-c2nnn[n-]2)ccc1C ZINC000821716638 599490811 /nfs/dbraw/zinc/49/08/11/599490811.db2.gz DETBWVFUJRIAHT-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1cc(CNc2ccc(F)cc2-c2nn[n-]n2)ccc1C ZINC000821716638 599490814 /nfs/dbraw/zinc/49/08/14/599490814.db2.gz DETBWVFUJRIAHT-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM CN(Cc1cscn1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821616833 599495189 /nfs/dbraw/zinc/49/51/89/599495189.db2.gz KDIMTXYIVHPILU-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CN(Cc1cscn1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821616833 599495190 /nfs/dbraw/zinc/49/51/90/599495190.db2.gz KDIMTXYIVHPILU-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CCOC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736602144 599518329 /nfs/dbraw/zinc/51/83/29/599518329.db2.gz HLSDIZNEJXLTAW-UHFFFAOYSA-N -1 3 323.356 2.656 20 0 DFADHM CCOC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736602144 599518331 /nfs/dbraw/zinc/51/83/31/599518331.db2.gz HLSDIZNEJXLTAW-UHFFFAOYSA-N -1 3 323.356 2.656 20 0 DFADHM C[C@@H](NC(=O)CC1=CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323005 599521070 /nfs/dbraw/zinc/52/10/70/599521070.db2.gz VSSQMWDNXYRFAE-GFCCVEGCSA-N -1 3 311.389 2.934 20 0 DFADHM C[C@@H](NC(=O)CC1=CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323005 599521071 /nfs/dbraw/zinc/52/10/71/599521071.db2.gz VSSQMWDNXYRFAE-GFCCVEGCSA-N -1 3 311.389 2.934 20 0 DFADHM C[C@@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1cccs1 ZINC000735570657 599539522 /nfs/dbraw/zinc/53/95/22/599539522.db2.gz OROKDVUUOITJGH-SSDOTTSWSA-N -1 3 305.388 2.732 20 0 DFADHM C[C@@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1cccs1 ZINC000735570657 599539523 /nfs/dbraw/zinc/53/95/23/599539523.db2.gz OROKDVUUOITJGH-SSDOTTSWSA-N -1 3 305.388 2.732 20 0 DFADHM Cc1ccc(C)c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822230550 599540788 /nfs/dbraw/zinc/54/07/88/599540788.db2.gz JVDPKIZEAZQHDV-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1ccc(C)c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822230550 599540790 /nfs/dbraw/zinc/54/07/90/599540790.db2.gz JVDPKIZEAZQHDV-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM C[C@@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000735511934 599543110 /nfs/dbraw/zinc/54/31/10/599543110.db2.gz IIKVIUHOWAGCON-SNVBAGLBSA-N -1 3 313.386 2.695 20 0 DFADHM C[C@@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000735511934 599543112 /nfs/dbraw/zinc/54/31/12/599543112.db2.gz IIKVIUHOWAGCON-SNVBAGLBSA-N -1 3 313.386 2.695 20 0 DFADHM Cc1nc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000822428113 599545602 /nfs/dbraw/zinc/54/56/02/599545602.db2.gz ZURNWBAIHJIXIU-ZETCQYMHSA-N -1 3 304.354 2.944 20 0 DFADHM Cc1nc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000822428113 599545603 /nfs/dbraw/zinc/54/56/03/599545603.db2.gz ZURNWBAIHJIXIU-ZETCQYMHSA-N -1 3 304.354 2.944 20 0 DFADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736326699 599548254 /nfs/dbraw/zinc/54/82/54/599548254.db2.gz CLDHTULGWJNFIX-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736326699 599548257 /nfs/dbraw/zinc/54/82/57/599548257.db2.gz CLDHTULGWJNFIX-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000823308449 599554021 /nfs/dbraw/zinc/55/40/21/599554021.db2.gz 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/nfs/dbraw/zinc/38/39/41/607383941.db2.gz GWKBTODAOZRAKM-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM CCCN(Cc1ncc(C)o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821104603 599563990 /nfs/dbraw/zinc/56/39/90/599563990.db2.gz JUGOLPFAYJVELR-UHFFFAOYSA-N -1 3 312.377 2.575 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCC1CC1 ZINC000822334279 599564691 /nfs/dbraw/zinc/56/46/91/599564691.db2.gz ATPYVFBQWNIMSU-UHFFFAOYSA-N -1 3 308.389 2.747 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCCC1CC1 ZINC000822334279 599564693 /nfs/dbraw/zinc/56/46/93/599564693.db2.gz ATPYVFBQWNIMSU-UHFFFAOYSA-N -1 3 308.389 2.747 20 0 DFADHM CCN(Cc1ncc(C)o1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230550 599567661 /nfs/dbraw/zinc/56/76/61/599567661.db2.gz NBGVKRPAYBBXEQ-LBPRGKRZSA-N -1 3 312.377 2.746 20 0 DFADHM CCN(Cc1ncc(C)o1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230550 599567662 /nfs/dbraw/zinc/56/76/62/599567662.db2.gz NBGVKRPAYBBXEQ-LBPRGKRZSA-N -1 3 312.377 2.746 20 0 DFADHM CN1CCCN(Cc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000736856049 599584559 /nfs/dbraw/zinc/58/45/59/599584559.db2.gz ISSDJYJAOSTPFD-UHFFFAOYSA-N -1 3 320.400 2.713 20 0 DFADHM CN1CCCN(Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736856049 599584560 /nfs/dbraw/zinc/58/45/60/599584560.db2.gz ISSDJYJAOSTPFD-UHFFFAOYSA-N -1 3 320.400 2.713 20 0 DFADHM C[C@@H](O)CC(C)(C)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820475313 599585158 /nfs/dbraw/zinc/58/51/58/599585158.db2.gz ZXUHIOFOESEMMS-SECBINFHSA-N -1 3 309.801 2.729 20 0 DFADHM C[C@@H](O)CC(C)(C)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820475313 599585161 /nfs/dbraw/zinc/58/51/61/599585161.db2.gz ZXUHIOFOESEMMS-SECBINFHSA-N -1 3 309.801 2.729 20 0 DFADHM CCO[C@@H]1C[C@@H](Nc2ccc(F)cc2-c2nnn[n-]2)C12CCC2 ZINC000821358211 599587199 /nfs/dbraw/zinc/58/71/99/599587199.db2.gz ICTJNQJCFFKXBA-ZIAGYGMSSA-N -1 3 317.368 2.765 20 0 DFADHM CCO[C@@H]1C[C@@H](Nc2ccc(F)cc2-c2nn[n-]n2)C12CCC2 ZINC000821358211 599587200 /nfs/dbraw/zinc/58/72/00/599587200.db2.gz ICTJNQJCFFKXBA-ZIAGYGMSSA-N -1 3 317.368 2.765 20 0 DFADHM CS[C@@H]1CCCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821956244 607385542 /nfs/dbraw/zinc/38/55/42/607385542.db2.gz KRCVECMEKRRBQB-SNVBAGLBSA-N -1 3 324.841 2.637 20 0 DFADHM CS[C@@H]1CCCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821956244 607385543 /nfs/dbraw/zinc/38/55/43/607385543.db2.gz KRCVECMEKRRBQB-SNVBAGLBSA-N -1 3 324.841 2.637 20 0 DFADHM Cc1cccc(C)c1COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737390337 599604727 /nfs/dbraw/zinc/60/47/27/599604727.db2.gz PDFPDQRPZHYQIP-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM Cc1cccc(C)c1COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737390337 599604729 /nfs/dbraw/zinc/60/47/29/599604729.db2.gz PDFPDQRPZHYQIP-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM CC[C@H](C)OC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736328467 599604959 /nfs/dbraw/zinc/60/49/59/599604959.db2.gz XDROCVYPWMKTTJ-SMDDNHRTSA-N -1 3 318.377 2.612 20 0 DFADHM CC[C@H](C)OC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736328467 599604961 /nfs/dbraw/zinc/60/49/61/599604961.db2.gz XDROCVYPWMKTTJ-SMDDNHRTSA-N -1 3 318.377 2.612 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)OCc2ccccc2-c2nnn[n-]2)C1 ZINC000820691404 599620458 /nfs/dbraw/zinc/62/04/58/599620458.db2.gz XAVDIRCDQVBEKE-VXGBXAGGSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)OCc2ccccc2-c2nn[n-]n2)C1 ZINC000820691404 599620459 /nfs/dbraw/zinc/62/04/59/599620459.db2.gz XAVDIRCDQVBEKE-VXGBXAGGSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1COc2ccccc2N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820813561 599643067 /nfs/dbraw/zinc/64/30/67/599643067.db2.gz JVIWENUDYNPEHN-GFCCVEGCSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@@H]1COc2ccccc2N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820813561 599643068 /nfs/dbraw/zinc/64/30/68/599643068.db2.gz JVIWENUDYNPEHN-GFCCVEGCSA-N -1 3 307.357 2.654 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820966935 599648008 /nfs/dbraw/zinc/64/80/08/599648008.db2.gz IXUWRHXQSPNFMG-ZWNOBZJWSA-N -1 3 300.366 2.519 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820966935 599648009 /nfs/dbraw/zinc/64/80/09/599648009.db2.gz IXUWRHXQSPNFMG-ZWNOBZJWSA-N -1 3 300.366 2.519 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820690615 599664049 /nfs/dbraw/zinc/66/40/49/599664049.db2.gz OTQDFHLFRXTMAR-PWSUYJOCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820690615 599664050 /nfs/dbraw/zinc/66/40/50/599664050.db2.gz OTQDFHLFRXTMAR-PWSUYJOCSA-N -1 3 318.352 2.875 20 0 DFADHM CCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821014533 599680241 /nfs/dbraw/zinc/68/02/41/599680241.db2.gz IMTBLTBLTFYCKH-NEPJUHHUSA-N -1 3 316.409 2.758 20 0 DFADHM CCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821014533 599680242 /nfs/dbraw/zinc/68/02/42/599680242.db2.gz IMTBLTBLTFYCKH-NEPJUHHUSA-N -1 3 316.409 2.758 20 0 DFADHM CC(C)[C@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820334184 599680921 /nfs/dbraw/zinc/68/09/21/599680921.db2.gz KOIKEJOCWVGMSC-RYUDHWBXSA-N -1 3 316.409 2.614 20 0 DFADHM CC(C)[C@H](C)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820334184 599680922 /nfs/dbraw/zinc/68/09/22/599680922.db2.gz KOIKEJOCWVGMSC-RYUDHWBXSA-N -1 3 316.409 2.614 20 0 DFADHM CC(C)C[C@@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000820067905 599686528 /nfs/dbraw/zinc/68/65/28/599686528.db2.gz NVLQSAHCVLUPCL-LBPRGKRZSA-N -1 3 312.421 2.623 20 0 DFADHM CC(C)C[C@@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC000820067905 599686529 /nfs/dbraw/zinc/68/65/29/599686529.db2.gz NVLQSAHCVLUPCL-LBPRGKRZSA-N -1 3 312.421 2.623 20 0 DFADHM CO[C@]1(C)C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000821679042 599688360 /nfs/dbraw/zinc/68/83/60/599688360.db2.gz WJCJAQJTTPGPNB-IAQYHMDHSA-N -1 3 305.357 2.621 20 0 DFADHM CO[C@]1(C)C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000821679042 599688361 /nfs/dbraw/zinc/68/83/61/599688361.db2.gz WJCJAQJTTPGPNB-IAQYHMDHSA-N -1 3 305.357 2.621 20 0 DFADHM Fc1ccc(CN(Cc2ccc(-c3nnn[n-]3)o2)C2CC2)cc1 ZINC000822766848 607388220 /nfs/dbraw/zinc/38/82/20/607388220.db2.gz 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ZINC000820020471 606229216 /nfs/dbraw/zinc/22/92/16/606229216.db2.gz HPNCZLQAIOWAAH-AWEZNQCLSA-N -1 3 309.377 2.508 20 0 DFADHM CC1(C)CN(c2ccc(Cl)cc2-c2nnn[n-]2)CCS1 ZINC000820607394 606231067 /nfs/dbraw/zinc/23/10/67/606231067.db2.gz SPOFMZTXRDLXMY-UHFFFAOYSA-N -1 3 309.826 2.852 20 0 DFADHM CC1(C)CN(c2ccc(Cl)cc2-c2nn[n-]n2)CCS1 ZINC000820607394 606231069 /nfs/dbraw/zinc/23/10/69/606231069.db2.gz SPOFMZTXRDLXMY-UHFFFAOYSA-N -1 3 309.826 2.852 20 0 DFADHM C[C@]1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623152 606243038 /nfs/dbraw/zinc/24/30/38/606243038.db2.gz GTCHOGOJRUYXQF-UKRRQHHQSA-N -1 3 321.812 2.873 20 0 DFADHM C[C@]1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623152 606243040 /nfs/dbraw/zinc/24/30/40/606243040.db2.gz GTCHOGOJRUYXQF-UKRRQHHQSA-N -1 3 321.812 2.873 20 0 DFADHM Fc1ccc(NCc2cccnc2Cl)cc1-c1nnn[n-]1 ZINC000822782809 606248903 /nfs/dbraw/zinc/24/89/03/606248903.db2.gz HWHIJHOAMXENDI-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(NCc2cccnc2Cl)cc1-c1nn[n-]n1 ZINC000822782809 606248904 /nfs/dbraw/zinc/24/89/04/606248904.db2.gz HWHIJHOAMXENDI-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822230268 606254813 /nfs/dbraw/zinc/25/48/13/606254813.db2.gz ASATUSDZZKDJRS-GFCCVEGCSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822230268 606254816 /nfs/dbraw/zinc/25/48/16/606254816.db2.gz ASATUSDZZKDJRS-GFCCVEGCSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000822226091 606262244 /nfs/dbraw/zinc/26/22/44/606262244.db2.gz CIBRDEXWSFBSJX-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000822226091 606262245 /nfs/dbraw/zinc/26/22/45/606262245.db2.gz CIBRDEXWSFBSJX-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccsc1 ZINC000819866598 606264630 /nfs/dbraw/zinc/26/46/30/606264630.db2.gz OEYBXADZAUAICD-MRVPVSSYSA-N -1 3 317.349 2.810 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccsc1 ZINC000819866598 606264631 /nfs/dbraw/zinc/26/46/31/606264631.db2.gz OEYBXADZAUAICD-MRVPVSSYSA-N -1 3 317.349 2.810 20 0 DFADHM O=C(C=Cc1cccs1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822937052 606268368 /nfs/dbraw/zinc/26/83/68/606268368.db2.gz ZGXWOUVECKMXDV-XQRVVYSFSA-N -1 3 315.333 2.719 20 0 DFADHM O=C(C=Cc1cccs1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822937052 606268369 /nfs/dbraw/zinc/26/83/69/606268369.db2.gz ZGXWOUVECKMXDV-XQRVVYSFSA-N -1 3 315.333 2.719 20 0 DFADHM Cc1ccc(F)cc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822241163 606270550 /nfs/dbraw/zinc/27/05/50/606270550.db2.gz NBMLXUVVFCEYIG-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccc(F)cc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822241163 606270549 /nfs/dbraw/zinc/27/05/49/606270549.db2.gz NBMLXUVVFCEYIG-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM CCCCSCCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821077361 606273078 /nfs/dbraw/zinc/27/30/78/606273078.db2.gz CDAKSEPZNZOEKB-UHFFFAOYSA-N -1 3 323.397 2.868 20 0 DFADHM CCCCSCCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821077361 606273079 /nfs/dbraw/zinc/27/30/79/606273079.db2.gz CDAKSEPZNZOEKB-UHFFFAOYSA-N -1 3 323.397 2.868 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487537 606348692 /nfs/dbraw/zinc/34/86/92/606348692.db2.gz HVHSPRIBPRZFAJ-IQQGHNRFSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487537 606348693 /nfs/dbraw/zinc/34/86/93/606348693.db2.gz HVHSPRIBPRZFAJ-IQQGHNRFSA-N -1 3 310.313 2.777 20 0 DFADHM CCC[C@@H](CC)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821016538 606355867 /nfs/dbraw/zinc/35/58/67/606355867.db2.gz XEDFDUGPAOBAGN-SNVBAGLBSA-N -1 3 306.345 2.706 20 0 DFADHM CCC[C@@H](CC)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821016538 606355869 /nfs/dbraw/zinc/35/58/69/606355869.db2.gz XEDFDUGPAOBAGN-SNVBAGLBSA-N -1 3 306.345 2.706 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C(C)(C)C1 ZINC000820743004 606358959 /nfs/dbraw/zinc/35/89/59/606358959.db2.gz PBTIPEMNZGQRIE-SECBINFHSA-N -1 3 318.356 2.658 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C(C)(C)C1 ZINC000820743004 606358961 /nfs/dbraw/zinc/35/89/61/606358961.db2.gz PBTIPEMNZGQRIE-SECBINFHSA-N -1 3 318.356 2.658 20 0 DFADHM CCCC[C@@H](CCC)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821042617 606366024 /nfs/dbraw/zinc/36/60/24/606366024.db2.gz GFWNPZOWFCIMDS-CQSZACIVSA-N -1 3 301.394 2.955 20 0 DFADHM CCCC[C@@H](CCC)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821042617 606366026 /nfs/dbraw/zinc/36/60/26/606366026.db2.gz GFWNPZOWFCIMDS-CQSZACIVSA-N -1 3 301.394 2.955 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820870433 606382254 /nfs/dbraw/zinc/38/22/54/606382254.db2.gz SMLXXDGZKOUDIW-JTQLQIEISA-N -1 3 320.372 2.906 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820870433 606382255 /nfs/dbraw/zinc/38/22/55/606382255.db2.gz SMLXXDGZKOUDIW-JTQLQIEISA-N -1 3 320.372 2.906 20 0 DFADHM CCc1nc([C@H](C)NCc2ccc(-c3nnn[n-]3)s2)cs1 ZINC000821504551 606418655 /nfs/dbraw/zinc/41/86/55/606418655.db2.gz HIIQAEPQPIAIQS-QMMMGPOBSA-N -1 3 320.447 2.798 20 0 DFADHM CCc1nc([C@H](C)NCc2ccc(-c3nn[n-]n3)s2)cs1 ZINC000821504551 606418657 /nfs/dbraw/zinc/41/86/57/606418657.db2.gz HIIQAEPQPIAIQS-QMMMGPOBSA-N -1 3 320.447 2.798 20 0 DFADHM CC[C@@](C)(NCc1ccc(-c2nnn[n-]2)s1)c1nccs1 ZINC000820852713 606421618 /nfs/dbraw/zinc/42/16/18/606421618.db2.gz FSYHTJMWOTZWFY-CYBMUJFWSA-N -1 3 320.447 2.800 20 0 DFADHM CC[C@@](C)(NCc1ccc(-c2nn[n-]n2)s1)c1nccs1 ZINC000820852713 606421620 /nfs/dbraw/zinc/42/16/20/606421620.db2.gz FSYHTJMWOTZWFY-CYBMUJFWSA-N -1 3 320.447 2.800 20 0 DFADHM Fc1cccc(C2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000822786302 606426067 /nfs/dbraw/zinc/42/60/67/606426067.db2.gz IPAYULCFCAGOJN-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1cccc(C2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000822786302 606426069 /nfs/dbraw/zinc/42/60/69/606426069.db2.gz IPAYULCFCAGOJN-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM CC[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)Oc1cccc(C)c1 ZINC000820909135 606427190 /nfs/dbraw/zinc/42/71/90/606427190.db2.gz UMHLBIRVCDZNBN-AWEZNQCLSA-N -1 3 324.388 2.840 20 0 DFADHM CC[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)Oc1cccc(C)c1 ZINC000820909135 606427192 /nfs/dbraw/zinc/42/71/92/606427192.db2.gz UMHLBIRVCDZNBN-AWEZNQCLSA-N -1 3 324.388 2.840 20 0 DFADHM CC(C)OCc1cccc(Nc2ncccc2-c2nnn[n-]2)c1 ZINC000820146567 606429664 /nfs/dbraw/zinc/42/96/64/606429664.db2.gz NYIVTLAAPRUHFQ-UHFFFAOYSA-N -1 3 310.361 2.930 20 0 DFADHM CC(C)OCc1cccc(Nc2ncccc2-c2nn[n-]n2)c1 ZINC000820146567 606429666 /nfs/dbraw/zinc/42/96/66/606429666.db2.gz NYIVTLAAPRUHFQ-UHFFFAOYSA-N -1 3 310.361 2.930 20 0 DFADHM CCOc1ccc(Nc2ncccc2-c2nnn[n-]2)cc1F ZINC000821421871 606430324 /nfs/dbraw/zinc/43/03/24/606430324.db2.gz HJDAETBBSPTMMS-UHFFFAOYSA-N -1 3 300.297 2.543 20 0 DFADHM CCOc1ccc(Nc2ncccc2-c2nn[n-]n2)cc1F ZINC000821421871 606430326 /nfs/dbraw/zinc/43/03/26/606430326.db2.gz HJDAETBBSPTMMS-UHFFFAOYSA-N -1 3 300.297 2.543 20 0 DFADHM Fc1ccc(C2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000822765917 606432684 /nfs/dbraw/zinc/43/26/84/606432684.db2.gz AYLIEKVLUAJFLP-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1ccc(C2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000822765917 606432685 /nfs/dbraw/zinc/43/26/85/606432685.db2.gz AYLIEKVLUAJFLP-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM OCC1(CNc2c(Cl)cccc2-c2nnn[n-]2)CCCCC1 ZINC000823715252 606432717 /nfs/dbraw/zinc/43/27/17/606432717.db2.gz SGEKPQWJPVNCFA-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM OCC1(CNc2c(Cl)cccc2-c2nn[n-]n2)CCCCC1 ZINC000823715252 606432718 /nfs/dbraw/zinc/43/27/18/606432718.db2.gz SGEKPQWJPVNCFA-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Cl)nc1 ZINC000822221396 606454511 /nfs/dbraw/zinc/45/45/11/606454511.db2.gz MXZFIYRKHBKGHI-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)nc1 ZINC000822221396 606454513 /nfs/dbraw/zinc/45/45/13/606454513.db2.gz MXZFIYRKHBKGHI-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CC(C)OCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820146640 606461820 /nfs/dbraw/zinc/46/18/20/606461820.db2.gz PTGDGKNWBKUFJX-UHFFFAOYSA-N -1 3 315.299 2.722 20 0 DFADHM CC(C)OCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820146640 606461821 /nfs/dbraw/zinc/46/18/21/606461821.db2.gz PTGDGKNWBKUFJX-UHFFFAOYSA-N -1 3 315.299 2.722 20 0 DFADHM c1cc(-c2noc(-c3cc(-c4nnn[n-]4)cs3)n2)cs1 ZINC000823748464 606471279 /nfs/dbraw/zinc/47/12/79/606471279.db2.gz YDNQHKRIMNSPCQ-UHFFFAOYSA-N -1 3 302.344 2.707 20 0 DFADHM c1cc(-c2noc(-c3cc(-c4nn[n-]n4)cs3)n2)cs1 ZINC000823748464 606471281 /nfs/dbraw/zinc/47/12/81/606471281.db2.gz YDNQHKRIMNSPCQ-UHFFFAOYSA-N -1 3 302.344 2.707 20 0 DFADHM C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820813858 606474936 /nfs/dbraw/zinc/47/49/36/606474936.db2.gz OCRYAEKGUIOKBS-VIFPVBQESA-N -1 3 311.370 2.520 20 0 DFADHM C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820813858 606474938 /nfs/dbraw/zinc/47/49/38/606474938.db2.gz OCRYAEKGUIOKBS-VIFPVBQESA-N -1 3 311.370 2.520 20 0 DFADHM C[C@@H]1CCC[C@@H](OC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820696502 606488734 /nfs/dbraw/zinc/48/87/34/606488734.db2.gz ACHJEWWLDAUIAZ-BXUZGUMPSA-N -1 3 300.362 2.531 20 0 DFADHM C[C@@H]1CCC[C@@H](OC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820696502 606488736 /nfs/dbraw/zinc/48/87/36/606488736.db2.gz ACHJEWWLDAUIAZ-BXUZGUMPSA-N -1 3 300.362 2.531 20 0 DFADHM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820697898 606490624 /nfs/dbraw/zinc/49/06/24/606490624.db2.gz NRCKWGOMUULMPF-GXSJLCMTSA-N -1 3 305.407 2.579 20 0 DFADHM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820697898 606490625 /nfs/dbraw/zinc/49/06/25/606490625.db2.gz NRCKWGOMUULMPF-GXSJLCMTSA-N -1 3 305.407 2.579 20 0 DFADHM CC(C)CN(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CCCC1 ZINC000820081575 606492107 /nfs/dbraw/zinc/49/21/07/606492107.db2.gz LQOAUUXNAYUTBN-UHFFFAOYSA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)CN(C(=O)c1cc(-c2nn[n-]n2)cs1)C1CCCC1 ZINC000820081575 606492108 /nfs/dbraw/zinc/49/21/08/606492108.db2.gz LQOAUUXNAYUTBN-UHFFFAOYSA-N -1 3 319.434 2.969 20 0 DFADHM Cc1ccc(N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000822240932 606496015 /nfs/dbraw/zinc/49/60/15/606496015.db2.gz FGVPGXQAGKIRRM-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM Cc1ccc(N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000822240932 606496016 /nfs/dbraw/zinc/49/60/16/606496016.db2.gz FGVPGXQAGKIRRM-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM CC1CCC(C)(NC(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820683491 606501927 /nfs/dbraw/zinc/50/19/27/606501927.db2.gz BXICKWOLCVPSNB-UHFFFAOYSA-N -1 3 305.407 2.627 20 0 DFADHM CC1CCC(C)(NC(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820683491 606501928 /nfs/dbraw/zinc/50/19/28/606501928.db2.gz BXICKWOLCVPSNB-UHFFFAOYSA-N -1 3 305.407 2.627 20 0 DFADHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1F ZINC000822208139 606507399 /nfs/dbraw/zinc/50/73/99/606507399.db2.gz CQHHUWLWIHANAL-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1F ZINC000822208139 606507401 /nfs/dbraw/zinc/50/74/01/606507401.db2.gz CQHHUWLWIHANAL-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819855578 606523008 /nfs/dbraw/zinc/52/30/08/606523008.db2.gz FIGBTDSVJKLBLJ-GFCCVEGCSA-N -1 3 313.405 2.651 20 0 DFADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819855578 606523010 /nfs/dbraw/zinc/52/30/10/606523010.db2.gz FIGBTDSVJKLBLJ-GFCCVEGCSA-N -1 3 313.405 2.651 20 0 DFADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819855582 606523077 /nfs/dbraw/zinc/52/30/77/606523077.db2.gz FIGBTDSVJKLBLJ-LBPRGKRZSA-N -1 3 313.405 2.651 20 0 DFADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819855582 606523079 /nfs/dbraw/zinc/52/30/79/606523079.db2.gz FIGBTDSVJKLBLJ-LBPRGKRZSA-N -1 3 313.405 2.651 20 0 DFADHM CC(C)(C)C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819906721 606538173 /nfs/dbraw/zinc/53/81/73/606538173.db2.gz JQBCSJBHPXJKDN-LLVKDONJSA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)(C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819906721 606538175 /nfs/dbraw/zinc/53/81/75/606538175.db2.gz JQBCSJBHPXJKDN-LLVKDONJSA-N -1 3 319.434 2.969 20 0 DFADHM CN(CCC1CCCCC1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821599390 606539732 /nfs/dbraw/zinc/53/97/32/606539732.db2.gz RENINZZTBJMIHH-UHFFFAOYSA-N -1 3 319.434 2.971 20 0 DFADHM CN(CCC1CCCCC1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821599390 606539733 /nfs/dbraw/zinc/53/97/33/606539733.db2.gz RENINZZTBJMIHH-UHFFFAOYSA-N -1 3 319.434 2.971 20 0 DFADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(CC1CC1)c1ccccc1 ZINC000823487799 606550412 /nfs/dbraw/zinc/55/04/12/606550412.db2.gz HVYKAXGIXOSOFZ-UHFFFAOYSA-N -1 3 319.368 2.924 20 0 DFADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(CC1CC1)c1ccccc1 ZINC000823487799 606550413 /nfs/dbraw/zinc/55/04/13/606550413.db2.gz HVYKAXGIXOSOFZ-UHFFFAOYSA-N -1 3 319.368 2.924 20 0 DFADHM C[C@H](N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1)C1(C)CC1 ZINC000820307837 606552167 /nfs/dbraw/zinc/55/21/67/606552167.db2.gz PINWPAACBWMXKK-BCPZQOPPSA-N -1 3 311.389 2.527 20 0 DFADHM C[C@H](N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1)C1(C)CC1 ZINC000820307837 606552168 /nfs/dbraw/zinc/55/21/68/606552168.db2.gz PINWPAACBWMXKK-BCPZQOPPSA-N -1 3 311.389 2.527 20 0 DFADHM Cc1ccccc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822361891 606563126 /nfs/dbraw/zinc/56/31/26/606563126.db2.gz KCSZESLGGXLNMD-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1ccccc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822361891 606563128 /nfs/dbraw/zinc/56/31/28/606563128.db2.gz KCSZESLGGXLNMD-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM C[C@H](NC(=O)[C@@H](C)C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316346 606578284 /nfs/dbraw/zinc/57/82/84/606578284.db2.gz UEVITPIJIOJCPA-RYUDHWBXSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](NC(=O)[C@@H](C)C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316346 606578286 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/nfs/dbraw/zinc/97/18/92/606971892.db2.gz NQZHTVMSMJCPBR-UHFFFAOYSA-N -1 3 319.324 2.890 20 0 DFADHM CN(C(=O)c1cc2ccccc2o1)c1ccccc1-c1nn[n-]n1 ZINC000821573373 606971893 /nfs/dbraw/zinc/97/18/93/606971893.db2.gz NQZHTVMSMJCPBR-UHFFFAOYSA-N -1 3 319.324 2.890 20 0 DFADHM O=C(CC1=CCCCC1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822941494 606999338 /nfs/dbraw/zinc/99/93/38/606999338.db2.gz XIEBQBASXOHRAW-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM O=C(CC1=CCCCC1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822941494 606999340 /nfs/dbraw/zinc/99/93/40/606999340.db2.gz XIEBQBASXOHRAW-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM CCCCCNC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821055515 607010003 /nfs/dbraw/zinc/01/00/03/607010003.db2.gz BQXSULWWUTYQNM-LLVKDONJSA-N -1 3 319.434 2.654 20 0 DFADHM CCCCCNC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821055515 607010004 /nfs/dbraw/zinc/01/00/04/607010004.db2.gz BQXSULWWUTYQNM-LLVKDONJSA-N -1 3 319.434 2.654 20 0 DFADHM CCOc1ccc(CSc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000821421798 607011426 /nfs/dbraw/zinc/01/14/26/607011426.db2.gz GFGXBAWUSHQQOF-UHFFFAOYSA-N -1 3 313.386 2.953 20 0 DFADHM CCOc1ccc(CSc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000821421798 607011428 /nfs/dbraw/zinc/01/14/28/607011428.db2.gz GFGXBAWUSHQQOF-UHFFFAOYSA-N -1 3 313.386 2.953 20 0 DFADHM CC(=O)c1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000819844941 607016656 /nfs/dbraw/zinc/01/66/56/607016656.db2.gz PCLIDZZCJDFDHO-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM CC(=O)c1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000819844941 607016657 /nfs/dbraw/zinc/01/66/57/607016657.db2.gz PCLIDZZCJDFDHO-UHFFFAOYSA-N -1 3 321.340 2.630 20 0 DFADHM CCCCOC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821072992 607016967 /nfs/dbraw/zinc/01/69/67/607016967.db2.gz XGCJEBWKEJGTDD-SNVBAGLBSA-N -1 3 306.391 2.691 20 0 DFADHM CCCCOC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821072992 607016969 /nfs/dbraw/zinc/01/69/69/607016969.db2.gz XGCJEBWKEJGTDD-SNVBAGLBSA-N -1 3 306.391 2.691 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1ccncc1 ZINC000822216295 607018716 /nfs/dbraw/zinc/01/87/16/607018716.db2.gz LEILATRBADEKRL-LBPRGKRZSA-N -1 3 322.372 2.702 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccncc1 ZINC000822216295 607018719 /nfs/dbraw/zinc/01/87/19/607018719.db2.gz LEILATRBADEKRL-LBPRGKRZSA-N -1 3 322.372 2.702 20 0 DFADHM Cc1cn(Cc2nc(-c3ccccc3)oc2C)cc1-c1nnn[n-]1 ZINC000822389469 607022595 /nfs/dbraw/zinc/02/25/95/607022595.db2.gz XSTMZYRAOGPXAY-UHFFFAOYSA-N -1 3 320.356 2.988 20 0 DFADHM Cc1cn(Cc2nc(-c3ccccc3)oc2C)cc1-c1nn[n-]n1 ZINC000822389469 607022597 /nfs/dbraw/zinc/02/25/97/607022597.db2.gz XSTMZYRAOGPXAY-UHFFFAOYSA-N -1 3 320.356 2.988 20 0 DFADHM CCOc1ccc(COc2cc(-c3nnn[n-]3)ccc2C)nc1 ZINC000821421899 607027483 /nfs/dbraw/zinc/02/74/83/607027483.db2.gz ICALVFGTLFJNMW-UHFFFAOYSA-N -1 3 311.345 2.548 20 0 DFADHM CCOc1ccc(COc2cc(-c3nn[n-]n3)ccc2C)nc1 ZINC000821421899 607027485 /nfs/dbraw/zinc/02/74/85/607027485.db2.gz ICALVFGTLFJNMW-UHFFFAOYSA-N -1 3 311.345 2.548 20 0 DFADHM Fc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC000822782755 607033783 /nfs/dbraw/zinc/03/37/83/607033783.db2.gz FLOCTFMEXRKFLF-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC000822782755 607033784 /nfs/dbraw/zinc/03/37/84/607033784.db2.gz FLOCTFMEXRKFLF-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM CCOC(=O)C[C@H](C)SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821326376 607039151 /nfs/dbraw/zinc/03/91/51/607039151.db2.gz WIUZZWZHWMONNJ-VIFPVBQESA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)C[C@H](C)SCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821326376 607039152 /nfs/dbraw/zinc/03/91/52/607039152.db2.gz WIUZZWZHWMONNJ-VIFPVBQESA-N -1 3 324.381 2.581 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(CSc2ccc(Cl)nn2)c1 ZINC000822758154 607039854 /nfs/dbraw/zinc/03/98/54/607039854.db2.gz KKOGXBFPVFTPGP-UHFFFAOYSA-N -1 3 322.756 2.742 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(CSc2ccc(Cl)nn2)c1 ZINC000822758154 607039856 /nfs/dbraw/zinc/03/98/56/607039856.db2.gz KKOGXBFPVFTPGP-UHFFFAOYSA-N 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CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000821014063 607224998 /nfs/dbraw/zinc/22/49/98/607224998.db2.gz BKIVJMHVOBPGQU-PWSUYJOCSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000821014063 607224999 /nfs/dbraw/zinc/22/49/99/607224999.db2.gz BKIVJMHVOBPGQU-PWSUYJOCSA-N -1 3 319.434 2.969 20 0 DFADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccsc1 ZINC000819882535 607245103 /nfs/dbraw/zinc/24/51/03/607245103.db2.gz BFCDQTMPHLRFRW-MRVPVSSYSA-N -1 3 318.333 2.776 20 0 DFADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccsc1 ZINC000819882535 607245104 /nfs/dbraw/zinc/24/51/04/607245104.db2.gz BFCDQTMPHLRFRW-MRVPVSSYSA-N -1 3 318.333 2.776 20 0 DFADHM Cc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000822227454 607245429 /nfs/dbraw/zinc/24/54/29/607245429.db2.gz JMTFRKTTWIDCPG-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Cc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000822227454 607245430 /nfs/dbraw/zinc/24/54/30/607245430.db2.gz JMTFRKTTWIDCPG-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Cc1ccsc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822379093 607246208 /nfs/dbraw/zinc/24/62/08/607246208.db2.gz KBRAIJYZOGIQCH-UHFFFAOYSA-N -1 3 304.306 2.595 20 0 DFADHM Cc1ccsc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822379093 607246209 /nfs/dbraw/zinc/24/62/09/607246209.db2.gz KBRAIJYZOGIQCH-UHFFFAOYSA-N -1 3 304.306 2.595 20 0 DFADHM O=C(CC1=CCCCC1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822940862 607246661 /nfs/dbraw/zinc/24/66/61/607246661.db2.gz HPUIXTZYCZVPRI-UHFFFAOYSA-N -1 3 302.309 2.802 20 0 DFADHM O=C(CC1=CCCCC1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822940862 607246662 /nfs/dbraw/zinc/24/66/62/607246662.db2.gz HPUIXTZYCZVPRI-UHFFFAOYSA-N -1 3 302.309 2.802 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820677281 607247727 /nfs/dbraw/zinc/24/77/27/607247727.db2.gz QGXYJNPDWFENJJ-SBMLRHLQSA-N -1 3 302.309 2.658 20 0 DFADHM C[C@@H]1CC/C(=C/C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820677281 607247728 /nfs/dbraw/zinc/24/77/28/607247728.db2.gz QGXYJNPDWFENJJ-SBMLRHLQSA-N -1 3 302.309 2.658 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)ccc1F ZINC000823449967 607250130 /nfs/dbraw/zinc/25/01/30/607250130.db2.gz GPRQQLWJLJLHPJ-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)ccc1F ZINC000823449967 607250131 /nfs/dbraw/zinc/25/01/31/607250131.db2.gz GPRQQLWJLJLHPJ-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM O=C(Nc1cccc2ccsc21)c1ccc(-c2nnn[n-]2)cn1 ZINC000826457387 607772689 /nfs/dbraw/zinc/77/26/89/607772689.db2.gz ZGXLZFHFYVROQT-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1cccc2ccsc21)c1ccc(-c2nn[n-]n2)cn1 ZINC000826457387 607772690 /nfs/dbraw/zinc/77/26/90/607772690.db2.gz ZGXLZFHFYVROQT-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM CCc1cccc(CC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000825723027 607782440 /nfs/dbraw/zinc/78/24/40/607782440.db2.gz QYTZGAQFENKCSZ-UHFFFAOYSA-N -1 3 307.357 2.610 20 0 DFADHM CCc1cccc(CC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000825723027 607782441 /nfs/dbraw/zinc/78/24/41/607782441.db2.gz QYTZGAQFENKCSZ-UHFFFAOYSA-N -1 3 307.357 2.610 20 0 DFADHM CC(C)C[C@@H](C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000824229112 607783837 /nfs/dbraw/zinc/78/38/37/607783837.db2.gz NPIHJTLPXDTOHX-SNVBAGLBSA-N -1 3 304.423 2.588 20 0 DFADHM CC(C)C[C@@H](C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000824229112 607783838 /nfs/dbraw/zinc/78/38/38/607783838.db2.gz NPIHJTLPXDTOHX-SNVBAGLBSA-N -1 3 304.423 2.588 20 0 DFADHM CN(C(=O)C=Cc1cccs1)c1ccccc1-c1nnn[n-]1 ZINC000825812583 607786363 /nfs/dbraw/zinc/78/63/63/607786363.db2.gz NSPDDRZJWGQYOI-CMDGGOBGSA-N -1 3 311.370 2.604 20 0 DFADHM CN(C(=O)C=Cc1cccs1)c1ccccc1-c1nn[n-]n1 ZINC000825812583 607786364 /nfs/dbraw/zinc/78/63/64/607786364.db2.gz NSPDDRZJWGQYOI-CMDGGOBGSA-N -1 3 311.370 2.604 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824457742 607786956 /nfs/dbraw/zinc/78/69/56/607786956.db2.gz RIEFBZVBEJPENS-ZDUSSCGKSA-N -1 3 321.384 2.708 20 0 DFADHM C[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824457742 607786957 /nfs/dbraw/zinc/78/69/57/607786957.db2.gz RIEFBZVBEJPENS-ZDUSSCGKSA-N -1 3 321.384 2.708 20 0 DFADHM CC(C)c1cccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)n1 ZINC000824347897 607790659 /nfs/dbraw/zinc/79/06/59/607790659.db2.gz RMPSNESFLQYLSF-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM CC(C)c1cccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)n1 ZINC000824347897 607790660 /nfs/dbraw/zinc/79/06/60/607790660.db2.gz RMPSNESFLQYLSF-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM CCN(C(=O)c1oc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390230 607796904 /nfs/dbraw/zinc/79/69/04/607796904.db2.gz BIIQGOTYPDGDHH-UHFFFAOYSA-N -1 3 311.345 2.743 20 0 DFADHM CCN(C(=O)c1oc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390230 607796905 /nfs/dbraw/zinc/79/69/05/607796905.db2.gz BIIQGOTYPDGDHH-UHFFFAOYSA-N -1 3 311.345 2.743 20 0 DFADHM CCN(C(=O)CCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372269 607797508 /nfs/dbraw/zinc/79/75/08/607797508.db2.gz UTJMAORPCZXRFL-UHFFFAOYSA-N -1 3 313.283 2.562 20 0 DFADHM CCN(C(=O)CCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372269 607797509 /nfs/dbraw/zinc/79/75/09/607797509.db2.gz UTJMAORPCZXRFL-UHFFFAOYSA-N -1 3 313.283 2.562 20 0 DFADHM CCN(C(=O)CCCCSC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372256 607799101 /nfs/dbraw/zinc/79/91/01/607799101.db2.gz UHWKNZJTMOXGSF-UHFFFAOYSA-N -1 3 319.434 2.753 20 0 DFADHM CCN(C(=O)CCCCSC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372256 607799102 /nfs/dbraw/zinc/79/91/02/607799102.db2.gz UHWKNZJTMOXGSF-UHFFFAOYSA-N -1 3 319.434 2.753 20 0 DFADHM Cn1cncc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826365461 607844806 /nfs/dbraw/zinc/84/48/06/607844806.db2.gz PAWHEUDDIVZNJF-UHFFFAOYSA-N -1 3 306.782 2.546 20 0 DFADHM Cn1cncc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826365461 607844807 /nfs/dbraw/zinc/84/48/07/607844807.db2.gz PAWHEUDDIVZNJF-UHFFFAOYSA-N -1 3 306.782 2.546 20 0 DFADHM Cc1cccc(C)c1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826297111 607869369 /nfs/dbraw/zinc/86/93/69/607869369.db2.gz VRZBRDOCMNLKCZ-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cccc(C)c1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826297111 607869370 /nfs/dbraw/zinc/86/93/70/607869370.db2.gz VRZBRDOCMNLKCZ-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM CCc1nc([C@@H](C)NCc2ccccc2-c2nn[n-]n2)cs1 ZINC000825746088 607909282 /nfs/dbraw/zinc/90/92/82/607909282.db2.gz RJLZQCNLNSRIKC-SNVBAGLBSA-N -1 3 314.418 2.736 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCC1 ZINC000824506198 607919568 /nfs/dbraw/zinc/91/95/68/607919568.db2.gz MLLMEVNIBDQFKM-MRVPVSSYSA-N -1 3 320.784 2.830 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCC1 ZINC000824506198 607919569 /nfs/dbraw/zinc/91/95/69/607919569.db2.gz MLLMEVNIBDQFKM-MRVPVSSYSA-N -1 3 320.784 2.830 20 0 DFADHM c1cc2c(ncnc2N2CCc3ccc(-c4nnn[n-]4)cc32)s1 ZINC000826527089 607936347 /nfs/dbraw/zinc/93/63/47/607936347.db2.gz YLGFBSUALUVZFP-UHFFFAOYSA-N -1 3 321.369 2.566 20 0 DFADHM c1cc2c(ncnc2N2CCc3ccc(-c4nn[n-]n4)cc32)s1 ZINC000826527089 607936348 /nfs/dbraw/zinc/93/63/48/607936348.db2.gz YLGFBSUALUVZFP-UHFFFAOYSA-N -1 3 321.369 2.566 20 0 DFADHM CS[C@@H](C)CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826224926 607944770 /nfs/dbraw/zinc/94/47/70/607944770.db2.gz PBHTYVIONTZPJM-UWVGGRQHSA-N -1 3 306.391 2.613 20 0 DFADHM CS[C@@H](C)CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826224926 607944771 /nfs/dbraw/zinc/94/47/71/607944771.db2.gz PBHTYVIONTZPJM-UWVGGRQHSA-N -1 3 306.391 2.613 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824927850 607946137 /nfs/dbraw/zinc/94/61/37/607946137.db2.gz QVWKDDUSPPEONF-BXUZGUMPSA-N -1 3 311.389 2.582 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824927850 607946138 /nfs/dbraw/zinc/94/61/38/607946138.db2.gz QVWKDDUSPPEONF-BXUZGUMPSA-N -1 3 311.389 2.582 20 0 DFADHM Cc1cccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1C ZINC000826296061 607949334 /nfs/dbraw/zinc/94/93/34/607949334.db2.gz IECSYIRLZOQQHX-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM Cc1cccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1C ZINC000826296061 607949335 /nfs/dbraw/zinc/94/93/35/607949335.db2.gz IECSYIRLZOQQHX-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000824716587 607959291 /nfs/dbraw/zinc/95/92/91/607959291.db2.gz YNGIBITZVODRJJ-DGMVEKRQSA-N -1 3 321.340 2.579 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000824716587 607959292 /nfs/dbraw/zinc/95/92/92/607959292.db2.gz YNGIBITZVODRJJ-DGMVEKRQSA-N -1 3 321.340 2.579 20 0 DFADHM c1ccc2c(c1)[nH]c1c2CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826524033 607969537 /nfs/dbraw/zinc/96/95/37/607969537.db2.gz GGIUSILDJYOVKB-UHFFFAOYSA-N -1 3 316.368 2.911 20 0 DFADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccncc1 ZINC000825353605 607974929 /nfs/dbraw/zinc/97/49/29/607974929.db2.gz ZCNVKWWPGPMZJN-UHFFFAOYSA-N -1 3 305.345 2.688 20 0 DFADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccncc1 ZINC000825353605 607974930 /nfs/dbraw/zinc/97/49/30/607974930.db2.gz ZCNVKWWPGPMZJN-UHFFFAOYSA-N -1 3 305.345 2.688 20 0 DFADHM Fc1ccc(NCc2csc(C3CC3)n2)cc1-c1nnn[n-]1 ZINC000826375205 607983176 /nfs/dbraw/zinc/98/31/76/607983176.db2.gz CZOUAYSADBQPIA-UHFFFAOYSA-N -1 3 316.365 2.952 20 0 DFADHM Fc1ccc(NCc2csc(C3CC3)n2)cc1-c1nn[n-]n1 ZINC000826375205 607983177 /nfs/dbraw/zinc/98/31/77/607983177.db2.gz CZOUAYSADBQPIA-UHFFFAOYSA-N -1 3 316.365 2.952 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(F)(F)F)nn1 ZINC000826255101 607990103 /nfs/dbraw/zinc/99/01/03/607990103.db2.gz LPLOWKCSTJPQMM-UHFFFAOYSA-N -1 3 322.250 2.776 20 0 DFADHM Cc1c(NCc2cnc(Cl)s2)cccc1-c1nnn[n-]1 ZINC000826242539 608020052 /nfs/dbraw/zinc/02/00/52/608020052.db2.gz SZWRYQLLJDCQFP-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1Br ZINC000824945591 608050590 /nfs/dbraw/zinc/05/05/90/608050590.db2.gz DVOFIXPCPBYQKT-MRVPVSSYSA-N -1 3 308.183 2.618 20 0 DFADHM CCC(CC)[C@H](C)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000825095420 608058070 /nfs/dbraw/zinc/05/80/70/608058070.db2.gz GHSIKUFVEALFLI-NSHDSACASA-N -1 3 301.394 2.902 20 0 DFADHM CCC(CC)[C@H](C)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000825095420 608058069 /nfs/dbraw/zinc/05/80/69/608058069.db2.gz GHSIKUFVEALFLI-NSHDSACASA-N -1 3 301.394 2.902 20 0 DFADHM C[C@@H]1CCc2ccccc2[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000824966418 608099154 /nfs/dbraw/zinc/09/91/54/608099154.db2.gz AVDOIZRJRIZMTA-IAQYHMDHSA-N -1 3 306.373 2.997 20 0 DFADHM C[C@@H]1CCc2ccccc2[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000824966418 608099155 /nfs/dbraw/zinc/09/91/55/608099155.db2.gz AVDOIZRJRIZMTA-IAQYHMDHSA-N -1 3 306.373 2.997 20 0 DFADHM CCC[C@H](C(=O)OCc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825225784 608117486 /nfs/dbraw/zinc/11/74/86/608117486.db2.gz XNCJLUNLBMYXSP-ZDUSSCGKSA-N -1 3 302.378 2.982 20 0 DFADHM CCC[C@H](C(=O)OCc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825225784 608117487 /nfs/dbraw/zinc/11/74/87/608117487.db2.gz XNCJLUNLBMYXSP-ZDUSSCGKSA-N -1 3 302.378 2.982 20 0 DFADHM CC(C)n1cccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000824371405 608118036 /nfs/dbraw/zinc/11/80/36/608118036.db2.gz DPUGAYCDXQKTIV-UHFFFAOYSA-N -1 3 311.345 2.606 20 0 DFADHM CC(C)n1cccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000824371405 608118037 /nfs/dbraw/zinc/11/80/37/608118037.db2.gz DPUGAYCDXQKTIV-UHFFFAOYSA-N -1 3 311.345 2.606 20 0 DFADHM CCC[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825225030 608118475 /nfs/dbraw/zinc/11/84/75/608118475.db2.gz JWPZYNLUAJUEEA-AWEZNQCLSA-N -1 3 302.378 2.982 20 0 DFADHM CCC[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825225030 608118476 /nfs/dbraw/zinc/11/84/76/608118476.db2.gz JWPZYNLUAJUEEA-AWEZNQCLSA-N -1 3 302.378 2.982 20 0 DFADHM CCC1(CO)CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000825171308 608151437 /nfs/dbraw/zinc/15/14/37/608151437.db2.gz OJOTWGMGALVMJK-UHFFFAOYSA-N -1 3 321.812 2.509 20 0 DFADHM CCC1(CO)CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000825171308 608151438 /nfs/dbraw/zinc/15/14/38/608151438.db2.gz OJOTWGMGALVMJK-UHFFFAOYSA-N -1 3 321.812 2.509 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC12CCCCC2 ZINC000826452593 608157470 /nfs/dbraw/zinc/15/74/70/608157470.db2.gz YRRLWPMDDNQMDI-CYBMUJFWSA-N -1 3 312.377 2.711 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC12CCCCC2 ZINC000826452593 608157471 /nfs/dbraw/zinc/15/74/71/608157471.db2.gz YRRLWPMDDNQMDI-CYBMUJFWSA-N -1 3 312.377 2.711 20 0 DFADHM Cc1c(NC(=O)CCCC(F)(F)F)cccc1-c1nnn[n-]1 ZINC000826241025 608162383 /nfs/dbraw/zinc/16/23/83/608162383.db2.gz OOERAKMRYPYCDT-UHFFFAOYSA-N -1 3 313.283 2.846 20 0 DFADHM Cc1c(NC(=O)CCCC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000826241025 608162385 /nfs/dbraw/zinc/16/23/85/608162385.db2.gz OOERAKMRYPYCDT-UHFFFAOYSA-N -1 3 313.283 2.846 20 0 DFADHM CC(=O)c1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000824024476 608174975 /nfs/dbraw/zinc/17/49/75/608174975.db2.gz GGEOBXVLWRTDOU-SNVBAGLBSA-N -1 3 308.345 2.637 20 0 DFADHM CC(=O)c1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824024476 608174976 /nfs/dbraw/zinc/17/49/76/608174976.db2.gz GGEOBXVLWRTDOU-SNVBAGLBSA-N -1 3 308.345 2.637 20 0 DFADHM CCCCO[C@@H](C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825291143 608182162 /nfs/dbraw/zinc/18/21/62/608182162.db2.gz MQMNQPNKSFFCDL-RYUDHWBXSA-N -1 3 318.377 2.676 20 0 DFADHM CCCCO[C@@H](C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825291143 608182164 /nfs/dbraw/zinc/18/21/64/608182164.db2.gz MQMNQPNKSFFCDL-RYUDHWBXSA-N -1 3 318.377 2.676 20 0 DFADHM CC(C)c1nsc(Sc2cccc(-c3nnn[n-]3)c2)n1 ZINC000824371748 608190074 /nfs/dbraw/zinc/19/00/74/608190074.db2.gz QRXPOSRDYJEPOH-UHFFFAOYSA-N -1 3 304.404 2.993 20 0 DFADHM CC(C)c1nsc(Sc2cccc(-c3nn[n-]n3)c2)n1 ZINC000824371748 608190076 /nfs/dbraw/zinc/19/00/76/608190076.db2.gz QRXPOSRDYJEPOH-UHFFFAOYSA-N -1 3 304.404 2.993 20 0 DFADHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000826232042 608195238 /nfs/dbraw/zinc/19/52/38/608195238.db2.gz GRMCHOSCWZWRGQ-GFCCVEGCSA-N -1 3 314.389 2.921 20 0 DFADHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000826232042 608195239 /nfs/dbraw/zinc/19/52/39/608195239.db2.gz GRMCHOSCWZWRGQ-GFCCVEGCSA-N -1 3 314.389 2.921 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825192439 608269441 /nfs/dbraw/zinc/26/94/41/608269441.db2.gz GXBSXXSWUQDRGY-ZYHUDNBSSA-N -1 3 314.393 2.970 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825192439 608269442 /nfs/dbraw/zinc/26/94/42/608269442.db2.gz GXBSXXSWUQDRGY-ZYHUDNBSSA-N -1 3 314.393 2.970 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2Cc3ccccc3[C@H](C)C2)n1 ZINC000826275252 608270740 /nfs/dbraw/zinc/27/07/40/608270740.db2.gz UIMQYTRDPWZKEM-LLVKDONJSA-N -1 3 306.373 2.694 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2Cc3ccccc3[C@H](C)C2)n1 ZINC000826275252 608270742 /nfs/dbraw/zinc/27/07/42/608270742.db2.gz UIMQYTRDPWZKEM-LLVKDONJSA-N -1 3 306.373 2.694 20 0 DFADHM c1ccc2c(c1)CN(c1nc3c(cc1-c1nnn[n-]1)CCCC3)C2 ZINC000826523158 608285464 /nfs/dbraw/zinc/28/54/64/608285464.db2.gz CNNCQHZHATWGHI-UHFFFAOYSA-N -1 3 318.384 2.661 20 0 DFADHM c1ccc2c(c1)CN(c1nc3c(cc1-c1nn[n-]n1)CCCC3)C2 ZINC000826523158 608285465 /nfs/dbraw/zinc/28/54/65/608285465.db2.gz CNNCQHZHATWGHI-UHFFFAOYSA-N -1 3 318.384 2.661 20 0 DFADHM CS[C@@H]1CCC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC000826227491 608287824 /nfs/dbraw/zinc/28/78/24/608287824.db2.gz RPJLGYQIPVXYNE-WDEREUQCSA-N -1 3 304.423 2.656 20 0 DFADHM CS[C@@H]1CCC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC000826227491 608287825 /nfs/dbraw/zinc/28/78/25/608287825.db2.gz RPJLGYQIPVXYNE-WDEREUQCSA-N -1 3 304.423 2.656 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](C(C)C)CC2)n1 ZINC000826274052 608288023 /nfs/dbraw/zinc/28/80/23/608288023.db2.gz FNINKEWBNJQJAC-CYBMUJFWSA-N -1 3 300.410 2.833 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](C(C)C)CC2)n1 ZINC000826274052 608288025 /nfs/dbraw/zinc/28/80/25/608288025.db2.gz FNINKEWBNJQJAC-CYBMUJFWSA-N -1 3 300.410 2.833 20 0 DFADHM CC(C)(C)OC(=O)CCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000824100491 608295113 /nfs/dbraw/zinc/29/51/13/608295113.db2.gz RKTLKLUPIFESJK-UHFFFAOYSA-N -1 3 317.393 2.791 20 0 DFADHM CC[C@@H](CSC)N(C)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825125600 608296861 /nfs/dbraw/zinc/29/68/61/608296861.db2.gz DXEUPRMEFGFSFS-VIFPVBQESA-N -1 3 313.377 2.723 20 0 DFADHM CC[C@@H](CSC)N(C)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825125600 608296864 /nfs/dbraw/zinc/29/68/64/608296864.db2.gz DXEUPRMEFGFSFS-VIFPVBQESA-N -1 3 313.377 2.723 20 0 DFADHM C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@H]1C ZINC000824962080 608303101 /nfs/dbraw/zinc/30/31/01/608303101.db2.gz NWKBUAIGNYBWRN-NWDGAFQWSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@H]1C ZINC000824962080 608303103 /nfs/dbraw/zinc/30/31/03/608303103.db2.gz NWKBUAIGNYBWRN-NWDGAFQWSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C[C@@H]1C ZINC000824961853 608303287 /nfs/dbraw/zinc/30/32/87/608303287.db2.gz KBOMXULEJZLRID-NEPJUHHUSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C[C@@H]1C ZINC000824961853 608303289 /nfs/dbraw/zinc/30/32/89/608303289.db2.gz KBOMXULEJZLRID-NEPJUHHUSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C[C@H]1C ZINC000824947070 608306096 /nfs/dbraw/zinc/30/60/96/608306096.db2.gz MGTRYBNEJPILPV-NXEZZACHSA-N -1 3 318.356 2.516 20 0 DFADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C[C@H]1C ZINC000824947070 608306098 /nfs/dbraw/zinc/30/60/98/608306098.db2.gz MGTRYBNEJPILPV-NXEZZACHSA-N -1 3 318.356 2.516 20 0 DFADHM Fc1ccc2c(c1)CCC[C@H]2Nc1ncccc1-c1nnn[n-]1 ZINC000826376359 608306714 /nfs/dbraw/zinc/30/67/14/608306714.db2.gz ZVVJWFQGXWBKHL-CQSZACIVSA-N -1 3 310.336 2.890 20 0 DFADHM Fc1ccc2c(c1)CCC[C@H]2Nc1ncccc1-c1nn[n-]n1 ZINC000826376359 608306715 /nfs/dbraw/zinc/30/67/15/608306715.db2.gz ZVVJWFQGXWBKHL-CQSZACIVSA-N -1 3 310.336 2.890 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1cc(C)on1 ZINC000826173665 608322444 /nfs/dbraw/zinc/32/24/44/608322444.db2.gz OXXZVIZYTJEREI-UHFFFAOYSA-N -1 3 317.374 2.605 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1cc(C)on1 ZINC000826173665 608322446 /nfs/dbraw/zinc/32/24/46/608322446.db2.gz OXXZVIZYTJEREI-UHFFFAOYSA-N -1 3 317.374 2.605 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1CCCOC1 ZINC000826173687 608322619 /nfs/dbraw/zinc/32/26/19/608322619.db2.gz PRXIOYPJAMRJSR-LLVKDONJSA-N -1 3 320.418 2.535 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1CCCOC1 ZINC000826173687 608322621 /nfs/dbraw/zinc/32/26/21/608322621.db2.gz PRXIOYPJAMRJSR-LLVKDONJSA-N -1 3 320.418 2.535 20 0 DFADHM Cc1scc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826350470 608324652 /nfs/dbraw/zinc/32/46/52/608324652.db2.gz XUDCMZWFNSLIGK-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM Cc1scc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826350470 608324654 /nfs/dbraw/zinc/32/46/54/608324654.db2.gz XUDCMZWFNSLIGK-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(F)cc1C ZINC000826172923 608325231 /nfs/dbraw/zinc/32/52/31/608325231.db2.gz DTYAQNOICDAXJW-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(F)cc1C ZINC000826172923 608325233 /nfs/dbraw/zinc/32/52/33/608325233.db2.gz DTYAQNOICDAXJW-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM CCN(C(=O)CC[C@@H](C)SC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372465 608341897 /nfs/dbraw/zinc/34/18/97/608341897.db2.gz ZRLLTIJXHLTWCT-LLVKDONJSA-N -1 3 319.434 2.751 20 0 DFADHM CCN(C(=O)CC[C@@H](C)SC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372465 608341899 /nfs/dbraw/zinc/34/18/99/608341899.db2.gz ZRLLTIJXHLTWCT-LLVKDONJSA-N -1 3 319.434 2.751 20 0 DFADHM CCN(C(=O)C=C1CCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367186 608343786 /nfs/dbraw/zinc/34/37/86/608343786.db2.gz KMJOPRWUWKOSPK-UHFFFAOYSA-N -1 3 317.780 2.983 20 0 DFADHM CCN(C(=O)C=C1CCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367186 608343789 /nfs/dbraw/zinc/34/37/89/608343789.db2.gz KMJOPRWUWKOSPK-UHFFFAOYSA-N -1 3 317.780 2.983 20 0 DFADHM CCN(C(=O)[C@@H]1CC1(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367934 608344703 /nfs/dbraw/zinc/34/47/03/608344703.db2.gz XUGJRASAPQIUHI-NSHDSACASA-N -1 3 319.796 2.919 20 0 DFADHM CCN(C(=O)[C@@H]1CC1(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367934 608344704 /nfs/dbraw/zinc/34/47/04/608344704.db2.gz XUGJRASAPQIUHI-NSHDSACASA-N -1 3 319.796 2.919 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCC(C)(C)C ZINC000826171218 608360336 /nfs/dbraw/zinc/36/03/36/608360336.db2.gz HJNWRXRGMGZVFJ-UHFFFAOYSA-N -1 3 318.377 2.745 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCC(C)(C)C ZINC000826171218 608360338 /nfs/dbraw/zinc/36/03/38/608360338.db2.gz HJNWRXRGMGZVFJ-UHFFFAOYSA-N -1 3 318.377 2.745 20 0 DFADHM c1c(CNc2ccc(-c3nnn[n-]3)nc2)onc1-c1ccccc1 ZINC000826519280 608368428 /nfs/dbraw/zinc/36/84/28/608368428.db2.gz RLUWPYXVSGUGOW-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM c1c(CNc2ccc(-c3nn[n-]n3)nc2)onc1-c1ccccc1 ZINC000826519280 608368430 /nfs/dbraw/zinc/36/84/30/608368430.db2.gz RLUWPYXVSGUGOW-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM Fc1c(CN2CCC[C@H]2c2ccco2)cccc1-c1nnn[n-]1 ZINC000826371256 608396858 /nfs/dbraw/zinc/39/68/58/608396858.db2.gz YNEHMPHEWDGRJD-ZDUSSCGKSA-N -1 3 313.336 2.936 20 0 DFADHM Fc1c(CN2CC[C@H]2c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826370815 608400044 /nfs/dbraw/zinc/40/00/44/608400044.db2.gz IPSFTMYFXLVNGT-HNNXBMFYSA-N -1 3 309.348 2.953 20 0 DFADHM Fc1ccc2c(c1)N(Cc1cccc(-c3nnn[n-]3)c1F)CC2 ZINC000826376024 608403202 /nfs/dbraw/zinc/40/32/02/608403202.db2.gz LIPQDRXILFBUSW-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc2c(c1)N(Cc1cccc(-c3nn[n-]n3)c1F)CC2 ZINC000826376024 608403203 /nfs/dbraw/zinc/40/32/03/608403203.db2.gz LIPQDRXILFBUSW-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM CCc1ncnc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1F ZINC000825755316 608426649 /nfs/dbraw/zinc/42/66/49/608426649.db2.gz SWDCGMPGXIBPKN-SECBINFHSA-N -1 3 313.340 2.531 20 0 DFADHM CCc1ncnc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1F ZINC000825755316 608426651 /nfs/dbraw/zinc/42/66/51/608426651.db2.gz SWDCGMPGXIBPKN-SECBINFHSA-N -1 3 313.340 2.531 20 0 DFADHM Cc1ccnc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826310341 608441695 /nfs/dbraw/zinc/44/16/95/608441695.db2.gz SKGHANVNXFSEDN-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM CC(C)(C)/C=C\C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824079234 608447619 /nfs/dbraw/zinc/44/76/19/608447619.db2.gz NGOSUCADQYYQAZ-FPLPWBNLSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)(C)/C=C\C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824079234 608447621 /nfs/dbraw/zinc/44/76/21/608447621.db2.gz NGOSUCADQYYQAZ-FPLPWBNLSA-N -1 3 304.325 2.651 20 0 DFADHM C[C@H](NCc1noc2c1CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633207 608465612 /nfs/dbraw/zinc/46/56/12/608465612.db2.gz HWOSGOJBOVYYPG-NSHDSACASA-N -1 3 324.388 2.584 20 0 DFADHM Cc1cc([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)s2)no1 ZINC000826265536 608546300 /nfs/dbraw/zinc/54/63/00/608546300.db2.gz CZCFQHMDGRXNDV-LBPRGKRZSA-N -1 3 316.390 2.562 20 0 DFADHM Cc1cc([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)s2)no1 ZINC000826265536 608546301 /nfs/dbraw/zinc/54/63/01/608546301.db2.gz CZCFQHMDGRXNDV-LBPRGKRZSA-N -1 3 316.390 2.562 20 0 DFADHM CCOc1cccc([C@H]2C[C@@H]2Nc2ncccc2-c2nnn[n-]2)c1 ZINC000825649274 608588963 /nfs/dbraw/zinc/58/89/63/608588963.db2.gz NLDPNZZKHOCRFH-CABCVRRESA-N -1 3 322.372 2.628 20 0 DFADHM CCOc1cccc([C@H]2C[C@@H]2Nc2ncccc2-c2nn[n-]n2)c1 ZINC000825649274 608588965 /nfs/dbraw/zinc/58/89/65/608588965.db2.gz NLDPNZZKHOCRFH-CABCVRRESA-N -1 3 322.372 2.628 20 0 DFADHM c1ccc(C[C@H]2CCCN(c3cnccc3-c3nnn[n-]3)C2)cc1 ZINC000826520673 608782321 /nfs/dbraw/zinc/78/23/21/608782321.db2.gz PHFDCFDNAQQJMP-OAHLLOKOSA-N -1 3 320.400 2.721 20 0 DFADHM c1ccc(C[C@H]2CCCN(c3cnccc3-c3nn[n-]n3)C2)cc1 ZINC000826520673 608782325 /nfs/dbraw/zinc/78/23/25/608782325.db2.gz PHFDCFDNAQQJMP-OAHLLOKOSA-N -1 3 320.400 2.721 20 0 DFADHM C[C@]1(c2ccccc2)CCCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000824844160 608783556 /nfs/dbraw/zinc/78/35/56/608783556.db2.gz QZHLWFMGTMHPHM-SFHVURJKSA-N -1 3 320.400 2.820 20 0 DFADHM C[C@]1(c2ccccc2)CCCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000824844160 608783559 /nfs/dbraw/zinc/78/35/59/608783559.db2.gz QZHLWFMGTMHPHM-SFHVURJKSA-N -1 3 320.400 2.820 20 0 DFADHM FC(F)CN(Cc1cc(-c2nnn[n-]2)cs1)CC1CCC1 ZINC000826369582 608831607 /nfs/dbraw/zinc/83/16/07/608831607.db2.gz IWRRGBZRSZUTKL-UHFFFAOYSA-N -1 3 313.377 2.795 20 0 DFADHM FC(F)CN(Cc1cc(-c2nn[n-]n2)cs1)CC1CCC1 ZINC000826369582 608831611 /nfs/dbraw/zinc/83/16/11/608831611.db2.gz IWRRGBZRSZUTKL-UHFFFAOYSA-N -1 3 313.377 2.795 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)OCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824657612 609159779 /nfs/dbraw/zinc/15/97/79/609159779.db2.gz RQLKREOXFSWUAR-SNVBAGLBSA-N -1 3 309.329 2.769 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)OCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824657612 609159781 /nfs/dbraw/zinc/15/97/81/609159781.db2.gz RQLKREOXFSWUAR-SNVBAGLBSA-N -1 3 309.329 2.769 20 0 DFADHM CC(C)CCCSCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824244484 609182041 /nfs/dbraw/zinc/18/20/41/609182041.db2.gz RVSVHMOISBWCNG-UHFFFAOYSA-N -1 3 319.434 2.975 20 0 DFADHM CC(C)CCCSCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824244484 609182039 /nfs/dbraw/zinc/18/20/39/609182039.db2.gz RVSVHMOISBWCNG-UHFFFAOYSA-N -1 3 319.434 2.975 20 0 DFADHM c1ccc(CSCCOc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826522011 609184580 /nfs/dbraw/zinc/18/45/80/609184580.db2.gz HXHIJJVAMSMUCP-UHFFFAOYSA-N -1 3 313.386 2.574 20 0 DFADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826284035 609204315 /nfs/dbraw/zinc/20/43/15/609204315.db2.gz IJQHVQHYTVVXTL-LBPRGKRZSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826284035 609204317 /nfs/dbraw/zinc/20/43/17/609204317.db2.gz IJQHVQHYTVVXTL-LBPRGKRZSA-N -1 3 324.388 2.645 20 0 DFADHM COc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC000826210077 609246112 /nfs/dbraw/zinc/24/61/12/609246112.db2.gz CUFDREBDMGIFGH-OAHLLOKOSA-N -1 3 322.372 2.760 20 0 DFADHM COc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC000826210077 609246113 /nfs/dbraw/zinc/24/61/13/609246113.db2.gz CUFDREBDMGIFGH-OAHLLOKOSA-N -1 3 322.372 2.760 20 0 DFADHM CC(C)Cc1nnc(NCc2cc(-c3nnn[n-]3)cs2)s1 ZINC000824280808 609263968 /nfs/dbraw/zinc/26/39/68/609263968.db2.gz VAHQHYJBUBXHBP-UHFFFAOYSA-N -1 3 321.435 2.590 20 0 DFADHM CC(C)Cc1nnc(NCc2cc(-c3nn[n-]n3)cs2)s1 ZINC000824280808 609263971 /nfs/dbraw/zinc/26/39/71/609263971.db2.gz VAHQHYJBUBXHBP-UHFFFAOYSA-N -1 3 321.435 2.590 20 0 DFADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)cnc1Cl ZINC000826271388 609266118 /nfs/dbraw/zinc/26/61/18/609266118.db2.gz PEXYAKQIRHGNOW-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)cnc1Cl ZINC000826271388 609266119 /nfs/dbraw/zinc/26/61/19/609266119.db2.gz PEXYAKQIRHGNOW-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(CF)cc1 ZINC000826186773 609267670 /nfs/dbraw/zinc/26/76/70/609267670.db2.gz KDZFMJCHNHUTNY-UHFFFAOYSA-N -1 3 313.336 2.957 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(CF)cc1 ZINC000826186773 609267671 /nfs/dbraw/zinc/26/76/71/609267671.db2.gz KDZFMJCHNHUTNY-UHFFFAOYSA-N -1 3 313.336 2.957 20 0 DFADHM Cc1nn(C)c(C)c1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826333731 609269776 /nfs/dbraw/zinc/26/97/76/609269776.db2.gz SHPHVGKKWXUGOJ-OAHLLOKOSA-N -1 3 323.404 2.707 20 0 DFADHM Cc1nn(C)c(C)c1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826333731 609269777 /nfs/dbraw/zinc/26/97/77/609269777.db2.gz SHPHVGKKWXUGOJ-OAHLLOKOSA-N -1 3 323.404 2.707 20 0 DFADHM COc1ccc(CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000826204090 609276528 /nfs/dbraw/zinc/27/65/28/609276528.db2.gz WYYWMTZNCUOWFO-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000826204090 609276530 /nfs/dbraw/zinc/27/65/30/609276530.db2.gz WYYWMTZNCUOWFO-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COCCC[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826155270 609304561 /nfs/dbraw/zinc/30/45/61/609304561.db2.gz LDSUUULKGGOVSN-SECBINFHSA-N -1 3 323.784 2.521 20 0 DFADHM COCCC[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826155270 609304562 /nfs/dbraw/zinc/30/45/62/609304562.db2.gz LDSUUULKGGOVSN-SECBINFHSA-N -1 3 323.784 2.521 20 0 DFADHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@H]1F ZINC000824961427 609318555 /nfs/dbraw/zinc/31/85/55/609318555.db2.gz CNXVTHKUHMTDHF-GXFFZTMASA-N -1 3 312.352 2.599 20 0 DFADHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@H]1F ZINC000824961427 609318558 /nfs/dbraw/zinc/31/85/58/609318558.db2.gz CNXVTHKUHMTDHF-GXFFZTMASA-N -1 3 312.352 2.599 20 0 DFADHM CC1(C)C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C(C)(C)O1 ZINC000824797442 609318715 /nfs/dbraw/zinc/31/87/15/609318715.db2.gz YJFOSMXWGBSEIF-SNVBAGLBSA-N -1 3 322.800 2.673 20 0 DFADHM CC1(C)C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C(C)(C)O1 ZINC000824797442 609318716 /nfs/dbraw/zinc/31/87/16/609318716.db2.gz YJFOSMXWGBSEIF-SNVBAGLBSA-N -1 3 322.800 2.673 20 0 DFADHM CCC(CC)[C@@H]1C[C@@H](Nc2cnccc2-c2nnn[n-]2)CCO1 ZINC000825106854 609322030 /nfs/dbraw/zinc/32/20/30/609322030.db2.gz JWIJQLVCJITCCH-WFASDCNBSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@@H]1C[C@@H](Nc2cnccc2-c2nn[n-]n2)CCO1 ZINC000825106854 609322032 /nfs/dbraw/zinc/32/20/32/609322032.db2.gz JWIJQLVCJITCCH-WFASDCNBSA-N -1 3 316.409 2.657 20 0 DFADHM CN(C[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825908653 609323978 /nfs/dbraw/zinc/32/39/78/609323978.db2.gz KNEAWDHUICRTPW-HZMBPMFUSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825908653 609323980 /nfs/dbraw/zinc/32/39/80/609323980.db2.gz KNEAWDHUICRTPW-HZMBPMFUSA-N -1 3 321.812 2.507 20 0 DFADHM COCCC[C@H](C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826155619 609386389 /nfs/dbraw/zinc/38/63/89/609386389.db2.gz WHFWIBNXLJSYQR-RYUDHWBXSA-N -1 3 318.377 2.534 20 0 DFADHM COCCC[C@H](C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826155619 609386391 /nfs/dbraw/zinc/38/63/91/609386391.db2.gz WHFWIBNXLJSYQR-RYUDHWBXSA-N -1 3 318.377 2.534 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccccc1F ZINC000824019573 609420243 /nfs/dbraw/zinc/42/02/43/609420243.db2.gz GWIRQRWXSNZIDW-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1ccccc1F ZINC000824019573 609420244 /nfs/dbraw/zinc/42/02/44/609420244.db2.gz GWIRQRWXSNZIDW-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM COC(=O)[C@H](CC(C)(C)C)Sc1ccccc1-c1nnn[n-]1 ZINC000826104047 609448561 /nfs/dbraw/zinc/44/85/61/609448561.db2.gz OMFWQYGQAPIRGJ-LBPRGKRZSA-N -1 3 320.418 2.937 20 0 DFADHM COC(=O)[C@H](CC(C)(C)C)Sc1ccccc1-c1nn[n-]n1 ZINC000826104047 609448565 /nfs/dbraw/zinc/44/85/65/609448565.db2.gz OMFWQYGQAPIRGJ-LBPRGKRZSA-N -1 3 320.418 2.937 20 0 DFADHM CC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823967267 609451925 /nfs/dbraw/zinc/45/19/25/609451925.db2.gz KXEHIKXUZREKBL-SSDOTTSWSA-N -1 3 316.308 2.955 20 0 DFADHM CC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823967267 609451926 /nfs/dbraw/zinc/45/19/26/609451926.db2.gz KXEHIKXUZREKBL-SSDOTTSWSA-N -1 3 316.308 2.955 20 0 DFADHM C[C@H](Nc1nc2ccccn2c1-c1nnn[n-]1)c1cccs1 ZINC000824663230 609455846 /nfs/dbraw/zinc/45/58/46/609455846.db2.gz WWFJCEYIGVBTMB-VIFPVBQESA-N -1 3 311.374 2.749 20 0 DFADHM C[C@H](Nc1nc2ccccn2c1-c1nn[n-]n1)c1cccs1 ZINC000824663230 609455848 /nfs/dbraw/zinc/45/58/48/609455848.db2.gz WWFJCEYIGVBTMB-VIFPVBQESA-N -1 3 311.374 2.749 20 0 DFADHM C[C@@H](NC(=O)[C@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824507050 609475336 /nfs/dbraw/zinc/47/53/36/609475336.db2.gz SLHIYRFXAGEKHG-CHWSQXEVSA-N -1 3 321.384 2.848 20 0 DFADHM C[C@@H](NC(=O)[C@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824507050 609475337 /nfs/dbraw/zinc/47/53/37/609475337.db2.gz SLHIYRFXAGEKHG-CHWSQXEVSA-N -1 3 321.384 2.848 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)cc1C ZINC000826186830 609476662 /nfs/dbraw/zinc/47/66/62/609476662.db2.gz MDKCUVVJBFMFMG-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)cc1C ZINC000826186830 609476664 /nfs/dbraw/zinc/47/66/64/609476664.db2.gz MDKCUVVJBFMFMG-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccn(C)c1 ZINC000824324425 609478873 /nfs/dbraw/zinc/47/88/73/609478873.db2.gz OADFPSHOCGWBME-UHFFFAOYSA-N -1 3 312.377 2.605 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccn(C)c1 ZINC000824324425 609478875 /nfs/dbraw/zinc/47/88/75/609478875.db2.gz OADFPSHOCGWBME-UHFFFAOYSA-N -1 3 312.377 2.605 20 0 DFADHM CCc1nnc(CNc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000825766531 609480956 /nfs/dbraw/zinc/48/09/56/609480956.db2.gz AJDHEZJANNHMHT-UHFFFAOYSA-N -1 3 321.797 2.546 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cc(F)cc(F)c1 ZINC000826186370 609481320 /nfs/dbraw/zinc/48/13/20/609481320.db2.gz PQFMNUNCDOMNPT-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(F)cc(F)c1 ZINC000826186370 609481321 /nfs/dbraw/zinc/48/13/21/609481321.db2.gz PQFMNUNCDOMNPT-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCC[C@@H]1C ZINC000825621672 609495123 /nfs/dbraw/zinc/49/51/23/609495123.db2.gz WXQDZXLPEJYAAQ-JQWIXIFHSA-N -1 3 315.377 2.640 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCC[C@@H]1C ZINC000825621672 609495125 /nfs/dbraw/zinc/49/51/25/609495125.db2.gz WXQDZXLPEJYAAQ-JQWIXIFHSA-N -1 3 315.377 2.640 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826231890 609500422 /nfs/dbraw/zinc/50/04/22/609500422.db2.gz KXAYAWGELZFJEN-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826231890 609500425 /nfs/dbraw/zinc/50/04/25/609500425.db2.gz KXAYAWGELZFJEN-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826231818 609508137 /nfs/dbraw/zinc/50/81/37/609508137.db2.gz BKQUMASHBWPODA-SNVBAGLBSA-N -1 3 312.304 2.715 20 0 DFADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826231818 609508138 /nfs/dbraw/zinc/50/81/38/609508138.db2.gz BKQUMASHBWPODA-SNVBAGLBSA-N -1 3 312.304 2.715 20 0 DFADHM Fc1cccc(F)c1CSc1ncccc1-c1nnn[n-]1 ZINC000826377241 609509079 /nfs/dbraw/zinc/50/90/79/609509079.db2.gz KIXTYOMSXDYJTI-UHFFFAOYSA-N -1 3 305.313 2.832 20 0 DFADHM Fc1cccc(F)c1CSc1ncccc1-c1nn[n-]n1 ZINC000826377241 609509080 /nfs/dbraw/zinc/50/90/80/609509080.db2.gz KIXTYOMSXDYJTI-UHFFFAOYSA-N -1 3 305.313 2.832 20 0 DFADHM CC(C)c1nccn1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824364721 609516346 /nfs/dbraw/zinc/51/63/46/609516346.db2.gz RKUUXRYKKMWPHV-UHFFFAOYSA-N -1 3 312.377 2.656 20 0 DFADHM CCCCOCCCNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825291755 609519023 /nfs/dbraw/zinc/51/90/23/609519023.db2.gz WXONKSFYWOWUJF-UHFFFAOYSA-N -1 3 324.816 2.842 20 0 DFADHM CCCCOCCCNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825291755 609519027 /nfs/dbraw/zinc/51/90/27/609519027.db2.gz WXONKSFYWOWUJF-UHFFFAOYSA-N -1 3 324.816 2.842 20 0 DFADHM Cc1ccnc(N(C)Cc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826309012 609520795 /nfs/dbraw/zinc/52/07/95/609520795.db2.gz AGBOPOOGCTUOLO-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Cc1ccnc(N(C)Cc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826309012 609520796 /nfs/dbraw/zinc/52/07/96/609520796.db2.gz AGBOPOOGCTUOLO-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Cc1c(Cl)cnc(NCc2ccccc2F)c1-c1nnn[n-]1 ZINC000826240163 609521067 /nfs/dbraw/zinc/52/10/67/609521067.db2.gz GQNFRLUZICPNIK-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Cc1c(Cl)cnc(NCc2ccccc2F)c1-c1nn[n-]n1 ZINC000826240163 609521070 /nfs/dbraw/zinc/52/10/70/609521070.db2.gz GQNFRLUZICPNIK-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Cc1ccnc(NCc2nc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826314798 609521672 /nfs/dbraw/zinc/52/16/72/609521672.db2.gz MTIRXPXSGWHCNB-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM Cc1ccnc(NCc2nc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826314798 609521673 /nfs/dbraw/zinc/52/16/73/609521673.db2.gz MTIRXPXSGWHCNB-UHFFFAOYSA-N -1 3 323.385 2.792 20 0 DFADHM Cc1c(Cl)cnc(N[C@H](C)c2cccnc2)c1-c1nnn[n-]1 ZINC000826238972 609522483 /nfs/dbraw/zinc/52/24/83/609522483.db2.gz VCWBZGNKIAFGGR-SECBINFHSA-N -1 3 315.768 2.792 20 0 DFADHM Cc1c(Cl)cnc(N[C@H](C)c2cccnc2)c1-c1nn[n-]n1 ZINC000826238972 609522484 /nfs/dbraw/zinc/52/24/84/609522484.db2.gz VCWBZGNKIAFGGR-SECBINFHSA-N -1 3 315.768 2.792 20 0 DFADHM Cc1ccnc(NCc2ccc(F)c(Cl)c2)c1-c1nnn[n-]1 ZINC000826314479 609546129 /nfs/dbraw/zinc/54/61/29/609546129.db2.gz YUNOFRXFAHRNJX-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Cc1ccnc(NCc2ccc(F)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826314479 609546130 /nfs/dbraw/zinc/54/61/30/609546130.db2.gz YUNOFRXFAHRNJX-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM COc1cccc(C[C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826216003 609553479 /nfs/dbraw/zinc/55/34/79/609553479.db2.gz GLZVHEUENZMNCX-LBPRGKRZSA-N -1 3 324.388 2.622 20 0 DFADHM COc1cccc(C[C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826216003 609553481 /nfs/dbraw/zinc/55/34/81/609553481.db2.gz GLZVHEUENZMNCX-LBPRGKRZSA-N -1 3 324.388 2.622 20 0 DFADHM CS[C@H]1CCC[C@H](Nc2nccc(C)c2-c2nnn[n-]2)C1 ZINC000826227733 609554789 /nfs/dbraw/zinc/55/47/89/609554789.db2.gz WQRAMUNRDQWIKZ-QWRGUYRKSA-N -1 3 304.423 2.656 20 0 DFADHM CS[C@H]1CCC[C@H](Nc2nccc(C)c2-c2nn[n-]n2)C1 ZINC000826227733 609554792 /nfs/dbraw/zinc/55/47/92/609554792.db2.gz WQRAMUNRDQWIKZ-QWRGUYRKSA-N -1 3 304.423 2.656 20 0 DFADHM CC[C@@H](Nc1nccc(C)c1-c1nnn[n-]1)c1nccs1 ZINC000825147310 609555874 /nfs/dbraw/zinc/55/58/74/609555874.db2.gz IAYLJAFDCWHIHS-SECBINFHSA-N -1 3 301.379 2.590 20 0 DFADHM CC[C@@H](Nc1nccc(C)c1-c1nn[n-]n1)c1nccs1 ZINC000825147310 609555875 /nfs/dbraw/zinc/55/58/75/609555875.db2.gz IAYLJAFDCWHIHS-SECBINFHSA-N -1 3 301.379 2.590 20 0 DFADHM CCCC[C@H](COC)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825258794 609556052 /nfs/dbraw/zinc/55/60/52/609556052.db2.gz DLDYINLYLBMEMU-SNVBAGLBSA-N -1 3 324.816 2.841 20 0 DFADHM CCCC[C@H](COC)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825258794 609556055 /nfs/dbraw/zinc/55/60/55/609556055.db2.gz DLDYINLYLBMEMU-SNVBAGLBSA-N -1 3 324.816 2.841 20 0 DFADHM CSCC[C@H](C)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826228000 609556474 /nfs/dbraw/zinc/55/64/74/609556474.db2.gz AZVKABROKQFQMU-ZETCQYMHSA-N -1 3 312.830 2.777 20 0 DFADHM CSCC[C@H](C)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826228000 609556475 /nfs/dbraw/zinc/55/64/75/609556475.db2.gz AZVKABROKQFQMU-ZETCQYMHSA-N -1 3 312.830 2.777 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)cn1)[C@H](C)C2 ZINC000826293785 609570674 /nfs/dbraw/zinc/57/06/74/609570674.db2.gz BDPPKCJOCUSXKN-BZNIZROVSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)cn1)[C@H](C)C2 ZINC000826293785 609570676 /nfs/dbraw/zinc/57/06/76/609570676.db2.gz BDPPKCJOCUSXKN-BZNIZROVSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccnc(N2CC[C@H](C)[C@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826310221 609571552 /nfs/dbraw/zinc/57/15/52/609571552.db2.gz PGEITHBQEFLYEP-IACUBPJLSA-N -1 3 312.421 2.975 20 0 DFADHM Cc1ccnc(N2CC[C@H](C)[C@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826310221 609571554 /nfs/dbraw/zinc/57/15/54/609571554.db2.gz PGEITHBQEFLYEP-IACUBPJLSA-N -1 3 312.421 2.975 20 0 DFADHM Cc1ccnc(NCCc2ccc(F)cc2C)c1-c1nnn[n-]1 ZINC000826268634 609573684 /nfs/dbraw/zinc/57/36/84/609573684.db2.gz HCPJAEILAGRBQM-UHFFFAOYSA-N -1 3 312.352 2.672 20 0 DFADHM Cc1ccnc(NCCc2ccc(F)cc2C)c1-c1nn[n-]n1 ZINC000826268634 609573687 /nfs/dbraw/zinc/57/36/87/609573687.db2.gz HCPJAEILAGRBQM-UHFFFAOYSA-N -1 3 312.352 2.672 20 0 DFADHM Cc1ccnc(NC2CCC(OC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826312502 609579513 /nfs/dbraw/zinc/57/95/13/609579513.db2.gz GFDAMTBGVSFGSJ-UHFFFAOYSA-N -1 3 316.409 2.718 20 0 DFADHM Cc1ccnc(NC2CCC(OC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826312502 609579515 /nfs/dbraw/zinc/57/95/15/609579515.db2.gz GFDAMTBGVSFGSJ-UHFFFAOYSA-N -1 3 316.409 2.718 20 0 DFADHM Cc1cnc([C@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)o1 ZINC000826318038 609587758 /nfs/dbraw/zinc/58/77/58/609587758.db2.gz STTUJLZZJBWUJX-QMMMGPOBSA-N -1 3 319.756 2.693 20 0 DFADHM Cc1cnc([C@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)o1 ZINC000826318038 609587759 /nfs/dbraw/zinc/58/77/59/609587759.db2.gz STTUJLZZJBWUJX-QMMMGPOBSA-N -1 3 319.756 2.693 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000825059910 609590967 /nfs/dbraw/zinc/59/09/67/609590967.db2.gz MBOYMCQELBWBSE-UWVGGRQHSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000825059910 609590966 /nfs/dbraw/zinc/59/09/66/609590966.db2.gz MBOYMCQELBWBSE-UWVGGRQHSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825059247 609597065 /nfs/dbraw/zinc/59/70/65/609597065.db2.gz DLFIXUIIMNQNDU-CMPLNLGQSA-N -1 3 302.378 2.901 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825059247 609597066 /nfs/dbraw/zinc/59/70/66/609597066.db2.gz DLFIXUIIMNQNDU-CMPLNLGQSA-N -1 3 302.378 2.901 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000825059249 609597250 /nfs/dbraw/zinc/59/72/50/609597250.db2.gz DLFIXUIIMNQNDU-PWSUYJOCSA-N -1 3 302.378 2.901 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000825059249 609597252 /nfs/dbraw/zinc/59/72/52/609597252.db2.gz DLFIXUIIMNQNDU-PWSUYJOCSA-N -1 3 302.378 2.901 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825061347 609640597 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309.366 2.553 20 0 DFADHM Cc1ccc(NC(=O)CCNC(=O)c2cccs2)c([O-])c1 ZINC000069535960 398575358 /nfs/dbraw/zinc/57/53/58/398575358.db2.gz FCCZYOQICRYYNQ-UHFFFAOYSA-N -1 3 304.371 2.521 20 0 DFADHM CCC[C@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)C(C)C ZINC000130044167 185931789 /nfs/dbraw/zinc/93/17/89/185931789.db2.gz SJFMLKCDRQHYRY-INIZCTEOSA-N -1 3 320.433 2.701 20 0 DFADHM CO[C@H](CS(=O)(=O)[N-]c1c(C)cccc1Cl)C1CC1 ZINC000571089061 302604820 /nfs/dbraw/zinc/60/48/20/302604820.db2.gz YXOMJSPTIWUCSH-GFCCVEGCSA-N -1 3 303.811 2.815 20 0 DFADHM CSCCO[N-]C(=O)CCc1nc(C)c(-c2ccccc2)o1 ZINC000279901377 215220837 /nfs/dbraw/zinc/22/08/37/215220837.db2.gz GGGGLRFAZBJGRU-UHFFFAOYSA-N -1 3 320.414 2.993 20 0 DFADHM COCCCON=C([O-])Nc1ccccc1OCC(F)(F)F ZINC000287033020 219278977 /nfs/dbraw/zinc/27/89/77/219278977.db2.gz LWNSZVBOWAZKRV-UHFFFAOYSA-N -1 3 322.283 2.717 20 0 DFADHM COCCCO[N-]C(=O)Nc1ccccc1OCC(F)(F)F ZINC000287033020 219278980 /nfs/dbraw/zinc/27/89/80/219278980.db2.gz LWNSZVBOWAZKRV-UHFFFAOYSA-N -1 3 322.283 2.717 20 0 DFADHM Cc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)c([O-])c1 ZINC000042118042 398582709 /nfs/dbraw/zinc/58/27/09/398582709.db2.gz LGHIUXJKTVUJCL-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM CSCCO[N-]C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000279939801 215254474 /nfs/dbraw/zinc/25/44/74/215254474.db2.gz IKPOPSVSDYCICB-RKDXNWHRSA-N -1 3 305.321 2.618 20 0 DFADHM COCCCON=C([O-])Nc1noc(-c2ccccc2F)c1C ZINC000287064475 219294010 /nfs/dbraw/zinc/29/40/10/219294010.db2.gz GYKMUKLAVMBIMX-UHFFFAOYSA-N -1 3 323.324 2.879 20 0 DFADHM COCCCO[N-]C(=O)Nc1noc(-c2ccccc2F)c1C ZINC000287064475 219294012 /nfs/dbraw/zinc/29/40/12/219294012.db2.gz GYKMUKLAVMBIMX-UHFFFAOYSA-N -1 3 323.324 2.879 20 0 DFADHM CC(C)c1ccc(C(=O)N2CC(Oc3ccncc3)C2)c([O-])c1 ZINC000590006594 398589046 /nfs/dbraw/zinc/58/90/46/398589046.db2.gz GXTQZJQBWYERGH-UHFFFAOYSA-N -1 3 312.369 2.814 20 0 DFADHM CC[C@@H]1CN(C(=O)c2cc(C)ccc2[O-])CCN1CC(F)F ZINC000133632858 186001831 /nfs/dbraw/zinc/00/18/31/186001831.db2.gz 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303.333 2.923 20 0 DFADHM CCCCCNC(=O)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000053014207 398858606 /nfs/dbraw/zinc/85/86/06/398858606.db2.gz WRLYGTMQUAKVPD-UHFFFAOYSA-N -1 3 318.417 2.551 20 0 DFADHM CSCC1(CC[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000594819310 398859828 /nfs/dbraw/zinc/85/98/28/398859828.db2.gz HSTKDCUCSPRZDH-UHFFFAOYSA-N -1 3 303.424 2.637 20 0 DFADHM O=S(=O)([N-][C@H]1CCC[C@@H]1c1ccccc1)c1ccccn1 ZINC000131976597 398854319 /nfs/dbraw/zinc/85/43/19/398854319.db2.gz UIXJVLXHPDZIAW-CABCVRRESA-N -1 3 302.399 2.696 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)Cc2c(C)noc2C)c1 ZINC000132248572 398855468 /nfs/dbraw/zinc/85/54/68/398855468.db2.gz UEUVKOVLBVTWTD-JTQLQIEISA-N -1 3 302.374 2.920 20 0 DFADHM Cc1cc(Br)cc2cc(C(=O)[N-]c3nc[nH]n3)oc21 ZINC000153174443 283356042 /nfs/dbraw/zinc/35/60/42/283356042.db2.gz QLVSEAZOGHNOFE-UHFFFAOYSA-N -1 3 321.134 2.874 20 0 DFADHM COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c([O-])c1 ZINC000135419965 398870318 /nfs/dbraw/zinc/87/03/18/398870318.db2.gz 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Cc1ccc([C@H](CNC(=O)c2ccc([O-])cc2F)N(C)C)cc1 ZINC000181186446 199261754 /nfs/dbraw/zinc/26/17/54/199261754.db2.gz YIYYAEJVZZGASB-KRWDZBQOSA-N -1 3 316.376 2.872 20 0 DFADHM COc1cccc(O[C@H](C)CNC(=O)c2ccccc2[O-])c1 ZINC000172822121 283386856 /nfs/dbraw/zinc/38/68/56/283386856.db2.gz YOWBFWDORGNRCF-GFCCVEGCSA-N -1 3 301.342 2.598 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H](CO)Cc2ccc(C)cc2)c1 ZINC000469906682 299290934 /nfs/dbraw/zinc/29/09/34/299290934.db2.gz KUEJVFSBVFJKND-MRXNPFEDSA-N -1 3 313.397 2.596 20 0 DFADHM COc1cc(C)c(N[C@H](C)C(=O)[N-]c2cc(C)no2)cc1F ZINC000187018956 200048424 /nfs/dbraw/zinc/04/84/24/200048424.db2.gz HZUURAIUFIKODE-SNVBAGLBSA-N -1 3 307.325 2.878 20 0 DFADHM [O-]c1ccc(F)c(CN2CCO[C@H](c3nccs3)C2)c1F ZINC000281003435 216015756 /nfs/dbraw/zinc/01/57/56/216015756.db2.gz MVLWOJACBHRENZ-LBPRGKRZSA-N -1 3 312.341 2.700 20 0 DFADHM COc1cc(F)c(F)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417047744 295993623 /nfs/dbraw/zinc/99/36/23/295993623.db2.gz QQFYRIAQOIMYEN-UHFFFAOYSA-N -1 3 307.300 2.959 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2C[C@@H]2C(C)C)c1 ZINC000187206193 200077266 /nfs/dbraw/zinc/07/72/66/200077266.db2.gz CHCYZBSIEAPRFB-NEPJUHHUSA-N -1 3 310.419 2.597 20 0 DFADHM CC[C@@]1(CO)CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000187216797 200079101 /nfs/dbraw/zinc/07/91/01/200079101.db2.gz HYDFPPHIJPYYED-MRXNPFEDSA-N -1 3 311.809 2.599 20 0 DFADHM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCCc2cccc([O-])c21 ZINC000187452234 200114433 /nfs/dbraw/zinc/11/44/33/200114433.db2.gz JFDKMYQVVZJODK-GFCCVEGCSA-N -1 3 318.417 2.612 20 0 DFADHM C[C@H](CC(=O)[N-]OC[C@H]1CCOC1)Cc1ccc(Cl)cc1 ZINC000187946892 200181612 /nfs/dbraw/zinc/18/16/12/200181612.db2.gz MADBQZVYBWRMTE-JSGCOSHPSA-N -1 3 311.809 2.993 20 0 DFADHM O=C(Cc1ccc(Cl)c(Cl)c1)[N-]OC[C@@H]1CCOC1 ZINC000187830819 200162812 /nfs/dbraw/zinc/16/28/12/200162812.db2.gz HSYVZPQLCNLRRV-SNVBAGLBSA-N -1 3 304.173 2.620 20 0 DFADHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ncccc2[O-])c1 ZINC000187875452 200170598 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FBAYQCAWCTURIV-OERCRGGDSA-N -1 3 324.380 2.870 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@H](Sc2ccccc2)C1)c1ccco1 ZINC000632695628 399717405 /nfs/dbraw/zinc/71/74/05/399717405.db2.gz LVCGFTNTHMDJAM-AULYBMBSSA-N -1 3 309.412 2.881 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]1C(F)(F)F)c1c[nH]c2cccc(F)c21 ZINC000632712618 399721019 /nfs/dbraw/zinc/72/10/19/399721019.db2.gz VSMQLCSWDYORHV-HZGVNTEJSA-N -1 3 322.283 2.536 20 0 DFADHM C[C@@H]1CN(Cc2c[nH]nc2-c2ccsc2)CC[C@@H]1C(=O)[O-] ZINC000629771958 399721620 /nfs/dbraw/zinc/72/16/20/399721620.db2.gz KHWDVIOCFMGQLN-MFKMUULPSA-N -1 3 305.403 2.681 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c([O-])c1 ZINC000119758476 224509823 /nfs/dbraw/zinc/50/98/23/224509823.db2.gz KMRZLIFSBWOGBN-BMFZPTHFSA-N -1 3 301.386 2.778 20 0 DFADHM C[C@H]1CN(Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1C(=O)[O-] ZINC000629770902 399722134 /nfs/dbraw/zinc/72/21/34/399722134.db2.gz DFEFHDCRSTZNMO-WCQYABFASA-N -1 3 317.364 2.758 20 0 DFADHM 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VWCVPOZIFVNZTB-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 ZINC000121527047 195303886 /nfs/dbraw/zinc/30/38/86/195303886.db2.gz HPBPNWUONSACFP-UHFFFAOYSA-N -1 3 304.733 2.705 20 0 DFADHM Cc1ccc([O-])c(CNc2cc3c(cc2F)NC(=O)CC3)n1 ZINC000121848870 195360914 /nfs/dbraw/zinc/36/09/14/195360914.db2.gz ICCYMWZFLVNFEM-UHFFFAOYSA-N -1 3 301.321 2.732 20 0 DFADHM CCCCCNC(=O)[C@@H](C)SCc1nc(CC)cc(=O)[n-]1 ZINC000125797551 195786107 /nfs/dbraw/zinc/78/61/07/195786107.db2.gz RHLWSZFCIBAUEU-LLVKDONJSA-N -1 3 311.451 2.673 20 0 DFADHM CC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000629862302 399744543 /nfs/dbraw/zinc/74/45/43/399744543.db2.gz YIQOQRQAHVKHQG-OAHLLOKOSA-N -1 3 318.417 2.646 20 0 DFADHM CC(=O)c1c(C)cc(C)c(CSCCc2nnn[n-]2)c1C ZINC000603337692 399747620 /nfs/dbraw/zinc/74/76/20/399747620.db2.gz MGCCFZRDLKQNSO-UHFFFAOYSA-N -1 3 304.419 2.803 20 0 DFADHM CC(=O)c1c(C)cc(C)c(CSCCc2nn[n-]n2)c1C ZINC000603337692 399747624 /nfs/dbraw/zinc/74/76/24/399747624.db2.gz MGCCFZRDLKQNSO-UHFFFAOYSA-N -1 3 304.419 2.803 20 0 DFADHM O=C(CCc1ccc(C(F)F)cc1)NCc1ncccc1[O-] ZINC000632806057 399746444 /nfs/dbraw/zinc/74/64/44/399746444.db2.gz PLQMKOVNBZDLKA-UHFFFAOYSA-N -1 3 306.312 2.974 20 0 DFADHM COC(=O)CCSc1cccc(NC([O-])=NOC(C)C)c1 ZINC000296717767 533444049 /nfs/dbraw/zinc/44/40/49/533444049.db2.gz ASAUVGIQWDURHK-UHFFFAOYSA-N -1 3 312.391 2.803 20 0 DFADHM COC(=O)CCSc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000296717767 533444051 /nfs/dbraw/zinc/44/40/51/533444051.db2.gz ASAUVGIQWDURHK-UHFFFAOYSA-N -1 3 312.391 2.803 20 0 DFADHM Cc1ccccc1-c1noc([C@@H](C)SCCc2nnn[n-]2)n1 ZINC000603340078 399748508 /nfs/dbraw/zinc/74/85/08/399748508.db2.gz SODKBNXGZYMNEI-SNVBAGLBSA-N -1 3 316.390 2.595 20 0 DFADHM Cc1ccccc1-c1noc([C@@H](C)SCCc2nn[n-]n2)n1 ZINC000603340078 399748510 /nfs/dbraw/zinc/74/85/10/399748510.db2.gz SODKBNXGZYMNEI-SNVBAGLBSA-N -1 3 316.390 2.595 20 0 DFADHM C[C@@H](SCCc1nnn[n-]1)c1ccc(Br)cc1 ZINC000603339412 399748584 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ZINC000617628064 399761046 /nfs/dbraw/zinc/76/10/46/399761046.db2.gz YONPGIOKPSTCQI-UHFFFAOYSA-N -1 3 315.369 2.902 20 0 DFADHM CN(CC(=O)Nc1cc(Br)ccc1[O-])C1CCC1 ZINC000629969867 399775174 /nfs/dbraw/zinc/77/51/74/399775174.db2.gz VTJLVVNQJLZMRN-UHFFFAOYSA-N -1 3 313.195 2.578 20 0 DFADHM CCOC(=O)c1ccc(CN2CCC[C@H](CC(=O)[O-])CC2)o1 ZINC000603432564 399775583 /nfs/dbraw/zinc/77/55/83/399775583.db2.gz ISYXOOMGNBKFKY-LBPRGKRZSA-N -1 3 309.362 2.533 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)c[n-]c1=O ZINC000621382527 399777211 /nfs/dbraw/zinc/77/72/11/399777211.db2.gz XTZCLVJCJLASTJ-VXNVDRBHSA-N -1 3 306.259 2.777 20 0 DFADHM O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)c[n-]c1=O ZINC000621382524 399777962 /nfs/dbraw/zinc/77/79/62/399777962.db2.gz XTZCLVJCJLASTJ-APPZFPTMSA-N -1 3 306.259 2.777 20 0 DFADHM CCC(C)(CC)C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000134824623 542651403 /nfs/dbraw/zinc/65/14/03/542651403.db2.gz LPHDIMOHUXYEDC-UHFFFAOYSA-N -1 3 318.417 2.503 20 0 DFADHM C[C@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1 ZINC000135558050 542653899 /nfs/dbraw/zinc/65/38/99/542653899.db2.gz CMAJWECTCPJSSC-CYBMUJFWSA-N -1 3 321.384 2.923 20 0 DFADHM C[C@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000135558050 542653901 /nfs/dbraw/zinc/65/39/01/542653901.db2.gz CMAJWECTCPJSSC-CYBMUJFWSA-N -1 3 321.384 2.923 20 0 DFADHM COc1ccc(NC(=O)c2cccc(-n3cccn3)c2)c([O-])c1 ZINC000135431890 542653924 /nfs/dbraw/zinc/65/39/24/542653924.db2.gz KZBZPFJGZZLCAF-UHFFFAOYSA-N -1 3 309.325 2.839 20 0 DFADHM CSc1nnc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)[n-]1 ZINC000299547213 132110492 /nfs/dbraw/zinc/11/04/92/132110492.db2.gz PZUOFJPBXQODAC-ZETCQYMHSA-N -1 3 312.782 2.586 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)n1 ZINC000299547213 132110493 /nfs/dbraw/zinc/11/04/93/132110493.db2.gz PZUOFJPBXQODAC-ZETCQYMHSA-N -1 3 312.782 2.586 20 0 DFADHM CSc1nc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)n[n-]1 ZINC000299547213 132110494 /nfs/dbraw/zinc/11/04/94/132110494.db2.gz PZUOFJPBXQODAC-ZETCQYMHSA-N -1 3 312.782 2.586 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2cc(C)cc(OC)c2)c1 ZINC000162594990 542738586 /nfs/dbraw/zinc/73/85/86/542738586.db2.gz HMKJHXYCSLWZOR-UHFFFAOYSA-N -1 3 301.342 2.648 20 0 DFADHM Cc1cccc([O-])c1C(=O)NCc1cccc2c1OCCCO2 ZINC000626204558 399794791 /nfs/dbraw/zinc/79/47/91/399794791.db2.gz BIHDJTHODRNQPN-UHFFFAOYSA-N -1 3 313.353 2.792 20 0 DFADHM C/C=C/C[C@@H]1CCCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000630029413 399795152 /nfs/dbraw/zinc/79/51/52/399795152.db2.gz YHPCFKUPEYQAOC-MBVDDHJVSA-N -1 3 317.433 2.936 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccn(C2CCOCC2)n1 ZINC000626227919 399801312 /nfs/dbraw/zinc/80/13/12/399801312.db2.gz PZDLYHKBYPQSAH-UHFFFAOYSA-N -1 3 321.764 2.846 20 0 DFADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2ccc3[nH][n-]c(=O)c3c2)CCO1 ZINC000613139089 399802743 /nfs/dbraw/zinc/80/27/43/399802743.db2.gz MQIZIOZIUUMPRV-RISCZKNCSA-N -1 3 317.389 2.592 20 0 DFADHM Cc1cccc(C)c1NC(=O)C(=O)Nc1cc(F)ccc1[O-] ZINC000179643709 542781634 /nfs/dbraw/zinc/78/16/34/542781634.db2.gz ADNUZPMKINVWQR-UHFFFAOYSA-N -1 3 302.305 2.725 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)c1 ZINC000184904367 542808857 /nfs/dbraw/zinc/80/88/57/542808857.db2.gz ZCINNLKZWGPOBH-UHFFFAOYSA-N -1 3 320.389 2.539 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)c(F)c1 ZINC000184909841 542809035 /nfs/dbraw/zinc/80/90/35/542809035.db2.gz BSLBXDVTSVRNMP-UHFFFAOYSA-N -1 3 320.389 2.539 20 0 DFADHM Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc2nn[n-]c21 ZINC000191451771 542845384 /nfs/dbraw/zinc/84/53/84/542845384.db2.gz JMYDXPFXOYWTHB-CYBMUJFWSA-N -1 3 308.341 2.520 20 0 DFADHM Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc2[n-]nnc21 ZINC000191451771 542845386 /nfs/dbraw/zinc/84/53/86/542845386.db2.gz JMYDXPFXOYWTHB-CYBMUJFWSA-N -1 3 308.341 2.520 20 0 DFADHM Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc2n[n-]nc21 ZINC000191451771 542845388 /nfs/dbraw/zinc/84/53/88/542845388.db2.gz JMYDXPFXOYWTHB-CYBMUJFWSA-N -1 3 308.341 2.520 20 0 DFADHM Cc1cc(-n2cccn2)ccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000191458384 542845649 /nfs/dbraw/zinc/84/56/49/542845649.db2.gz LRFNFGBKDPXKLH-UHFFFAOYSA-N -1 3 318.340 2.704 20 0 DFADHM Cc1cccc(F)c1NNC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000194872946 542862570 /nfs/dbraw/zinc/86/25/70/542862570.db2.gz CTNNSTDVBHKWDJ-LCYFTJDESA-N -1 3 311.316 2.890 20 0 DFADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1noc2c1CCCC2 ZINC000248517067 542935987 /nfs/dbraw/zinc/93/59/87/542935987.db2.gz HNJUTVOXSRGZBK-DFBGVHRSSA-N -1 3 304.390 2.771 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)c2cc(C)c(CC)s2)[n-]1 ZINC000617872075 399823804 /nfs/dbraw/zinc/82/38/04/399823804.db2.gz MERXKGQPLBLZGX-UHFFFAOYSA-N -1 3 307.375 2.771 20 0 DFADHM CCOC(=O)c1nc(NC(=O)c2cc(C)c(CC)s2)c[n-]1 ZINC000617872075 399823811 /nfs/dbraw/zinc/82/38/11/399823811.db2.gz MERXKGQPLBLZGX-UHFFFAOYSA-N -1 3 307.375 2.771 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)CSc2ccccc2C)[n-]1 ZINC000617872439 399824022 /nfs/dbraw/zinc/82/40/22/399824022.db2.gz SBJKUYQABBIOQW-UHFFFAOYSA-N -1 3 319.386 2.626 20 0 DFADHM CCOC(=O)c1nc(NC(=O)CSc2ccccc2C)c[n-]1 ZINC000617872439 399824027 /nfs/dbraw/zinc/82/40/27/399824027.db2.gz SBJKUYQABBIOQW-UHFFFAOYSA-N -1 3 319.386 2.626 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)c2ccc(F)cc2Cl)[n-]1 ZINC000617870307 399824142 /nfs/dbraw/zinc/82/41/42/399824142.db2.gz LNYJEGMKVOKMRL-UHFFFAOYSA-N -1 3 311.700 2.631 20 0 DFADHM CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2Cl)c[n-]1 ZINC000617870307 399824143 /nfs/dbraw/zinc/82/41/43/399824143.db2.gz LNYJEGMKVOKMRL-UHFFFAOYSA-N -1 3 311.700 2.631 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)[n-]1 ZINC000617876578 399824477 /nfs/dbraw/zinc/82/44/77/399824477.db2.gz VOEFTXNUXKNNGG-PWSUYJOCSA-N -1 3 305.378 2.763 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c[n-]1 ZINC000617876578 399824483 /nfs/dbraw/zinc/82/44/83/399824483.db2.gz VOEFTXNUXKNNGG-PWSUYJOCSA-N -1 3 305.378 2.763 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)c2cc3ccc(C)cc3[nH]2)[n-]1 ZINC000617876296 399824595 /nfs/dbraw/zinc/82/45/95/399824595.db2.gz HUVGTOLKADBRNH-UHFFFAOYSA-N -1 3 312.329 2.628 20 0 DFADHM CCOC(=O)c1nc(NC(=O)c2cc3ccc(C)cc3[nH]2)c[n-]1 ZINC000617876296 399824602 /nfs/dbraw/zinc/82/46/02/399824602.db2.gz HUVGTOLKADBRNH-UHFFFAOYSA-N -1 3 312.329 2.628 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000626338726 399829275 /nfs/dbraw/zinc/82/92/75/399829275.db2.gz JHKOASNDYOBLRC-OAHLLOKOSA-N -1 3 324.380 2.801 20 0 DFADHM CCc1cc(C[N-]S(=O)(=O)CC(C)(C)C(F)(F)CC)on1 ZINC000625018379 399830902 /nfs/dbraw/zinc/83/09/02/399830902.db2.gz WVFRTLUDXLCUIN-UHFFFAOYSA-N -1 3 324.393 2.728 20 0 DFADHM Cc1cc(C(=O)N(C)[C@@H]2CCO[C@H]2c2cccnc2)ccc1[O-] ZINC000348560362 285607956 /nfs/dbraw/zinc/60/79/56/285607956.db2.gz HMYRYMLFXSYRCH-WBVHZDCISA-N -1 3 312.369 2.698 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Cl)cc1Cl ZINC000282067369 542992974 /nfs/dbraw/zinc/99/29/74/542992974.db2.gz VCYUDILXJRESHB-IEBDPFPHSA-N -1 3 322.213 2.592 20 0 DFADHM CCOc1cc(C)ccc1NC(=O)NCc1ncccc1[O-] ZINC000348635700 285627132 /nfs/dbraw/zinc/62/71/32/285627132.db2.gz SMGCXVQYGKQECJ-UHFFFAOYSA-N -1 3 301.346 2.816 20 0 DFADHM [O-]c1cccnc1CNCc1c(F)cccc1N1CCCC1 ZINC000348636875 285627567 /nfs/dbraw/zinc/62/75/67/285627567.db2.gz RYYUJOCDJYDWGI-UHFFFAOYSA-N -1 3 301.365 2.816 20 0 DFADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000424562343 296512913 /nfs/dbraw/zinc/51/29/13/296512913.db2.gz NHUBBYPOTBXZMJ-GHMZBOCLSA-N -1 3 314.382 2.525 20 0 DFADHM CC(C)CCOc1ccc(CNC[C@@H]2OCC[C@@H]2C(=O)[O-])cc1 ZINC000424622307 296517823 /nfs/dbraw/zinc/51/78/23/296517823.db2.gz PWUUAVOZSXHWDF-IRXDYDNUSA-N -1 3 321.417 2.691 20 0 DFADHM O=C(/C=C/c1c(Cl)nc2ccccn21)[N-]OCCC1CC1 ZINC000492811463 299658311 /nfs/dbraw/zinc/65/83/11/299658311.db2.gz ULHBWEJYTCLKMA-VOTSOKGWSA-N -1 3 305.765 2.849 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000613281224 399838979 /nfs/dbraw/zinc/83/89/79/399838979.db2.gz WJRNLJHGCCKAMS-HIFRSBDPSA-N -1 3 323.458 2.983 20 0 DFADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000313239006 543067783 /nfs/dbraw/zinc/06/77/83/543067783.db2.gz PNOQEPLJBLFSEF-SNVBAGLBSA-N -1 3 312.366 2.778 20 0 DFADHM Cc1ncc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c(=O)[n-]1 ZINC000449231233 297426601 /nfs/dbraw/zinc/42/66/01/297426601.db2.gz CRXUOTXWIYFECI-LLVKDONJSA-N -1 3 309.291 2.685 20 0 DFADHM O=C([O-])c1cnc(N[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000309842761 543065407 /nfs/dbraw/zinc/06/54/07/543065407.db2.gz QSEHHBCJLXTOAD-ZDUSSCGKSA-N -1 3 317.414 2.918 20 0 DFADHM CC(C)C[C@H](CNC(=O)[C@@H](N)CC1CCCCC1)CC(=O)[O-] ZINC000319000042 543078368 /nfs/dbraw/zinc/07/83/68/543078368.db2.gz MQRMNCBNGIPPTA-GJZGRUSLSA-N -1 3 312.454 2.537 20 0 DFADHM O=C(NCC1(CO)CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000321623197 543086476 /nfs/dbraw/zinc/08/64/76/543086476.db2.gz ISFDLEQNNOFORU-UHFFFAOYSA-N -1 3 314.385 2.613 20 0 DFADHM CCCNC(=O)C1(NC(=O)c2c(C)cccc2[O-])CCCCC1 ZINC000625098846 399845105 /nfs/dbraw/zinc/84/51/05/399845105.db2.gz JVGRHVOCUOLYFM-UHFFFAOYSA-N -1 3 318.417 2.660 20 0 DFADHM CO[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@H](C)C1 ZINC000281756357 285709412 /nfs/dbraw/zinc/70/94/12/285709412.db2.gz KZZOOQVWXOZMER-TZMCWYRMSA-N -1 3 303.402 2.911 20 0 DFADHM CCOCCN1CCN(Cc2cc([O-])ccc2Cl)C[C@@H]1C ZINC000625151226 399854337 /nfs/dbraw/zinc/85/43/37/399854337.db2.gz KXDKFANBDMRTOB-ZDUSSCGKSA-N -1 3 312.841 2.588 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC(C)(C)O2)c(F)c1F ZINC000625132482 399851050 /nfs/dbraw/zinc/85/10/50/399851050.db2.gz FUQKSDJLORMAPJ-SNVBAGLBSA-N -1 3 319.373 2.509 20 0 DFADHM O=C(NCc1ncccc1[O-])Nc1ncc(C(F)(F)F)s1 ZINC000338461973 543136359 /nfs/dbraw/zinc/13/63/59/543136359.db2.gz TWXDIYZFQXRERA-UHFFFAOYSA-N -1 3 318.280 2.584 20 0 DFADHM Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000339006829 543138669 /nfs/dbraw/zinc/13/86/69/543138669.db2.gz DHOOVILGLYQTSD-UHFFFAOYSA-N -1 3 319.704 2.848 20 0 DFADHM COC[C@@H](NC(=O)c1cc(C)ccc1[O-])c1cccc(OC)c1 ZINC000617972871 399854883 /nfs/dbraw/zinc/85/48/83/399854883.db2.gz ZPOHPNXREBZSSX-MRXNPFEDSA-N -1 3 315.369 2.827 20 0 DFADHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(C)C ZINC000625155839 399855224 /nfs/dbraw/zinc/85/52/24/399855224.db2.gz UXZQKZMHDLMJMH-LLVKDONJSA-N -1 3 321.389 2.613 20 0 DFADHM O=C(NCc1nnc2ccccn21)c1cc([O-])c2ccccc2c1 ZINC000339362073 543144133 /nfs/dbraw/zinc/14/41/33/543144133.db2.gz RCEIOWMFVPWMNH-UHFFFAOYSA-N -1 3 318.336 2.518 20 0 DFADHM CN(CC(=O)NCc1cccs1)Cc1cc([O-])ccc1Cl ZINC000625162980 399856344 /nfs/dbraw/zinc/85/63/44/399856344.db2.gz FHSDSMGOLLELFG-UHFFFAOYSA-N -1 3 324.833 2.855 20 0 DFADHM CO[C@H](C)c1noc(CN(C)Cc2cc([O-])ccc2Cl)n1 ZINC000625205660 399861600 /nfs/dbraw/zinc/86/16/00/399861600.db2.gz CCXVLSSNGKGTGO-SECBINFHSA-N -1 3 311.769 2.768 20 0 DFADHM Cc1ncc(CN[C@H]2CCSc3c(F)cccc32)c(=O)[n-]1 ZINC000346786556 543179913 /nfs/dbraw/zinc/17/99/13/543179913.db2.gz DKGJZEYHTCETOH-ZDUSSCGKSA-N -1 3 305.378 2.956 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C2(C3(C)CC3)CC2)c(F)c1F ZINC000625243621 399866670 /nfs/dbraw/zinc/86/66/70/399866670.db2.gz POGVMCDBPIVHIN-UHFFFAOYSA-N -1 3 301.358 2.884 20 0 DFADHM [O-]c1ccc(C(F)(F)F)c(-c2nc(Cc3cnccn3)no2)c1 ZINC000347157750 543180799 /nfs/dbraw/zinc/18/07/99/543180799.db2.gz OALNXKDINHUEFD-UHFFFAOYSA-N -1 3 322.246 2.842 20 0 DFADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)o1 ZINC000625237004 399865691 /nfs/dbraw/zinc/86/56/91/399865691.db2.gz HNIGJPBMPADNFF-UHFFFAOYSA-N -1 3 312.366 2.526 20 0 DFADHM CCOc1nc2ccc(-c3nc(C[C@H]4CCCO4)no3)cc2[n-]1 ZINC000351053466 543212553 /nfs/dbraw/zinc/21/25/53/543212553.db2.gz OWJZFRPASXOALO-LLVKDONJSA-N -1 3 314.345 2.733 20 0 DFADHM CN1C(=O)N(Cc2ccc([O-])c(F)c2)C(=O)[C@H]1c1ccccc1 ZINC000349172857 285796653 /nfs/dbraw/zinc/79/66/53/285796653.db2.gz UKCZWCWQAWRXDP-OAHLLOKOSA-N -1 3 314.316 2.667 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000352435108 543229470 /nfs/dbraw/zinc/22/94/70/543229470.db2.gz IAIKHRPHHCPFSI-JGVFFNPUSA-N -1 3 314.267 2.982 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1CC[C@@H](C(F)(F)F)C1 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O=C([N-]c1ccncc1F)c1csc(-c2ncccc2F)n1 ZINC000351260409 286118843 /nfs/dbraw/zinc/11/88/43/286118843.db2.gz KPBUFPQZLIPLKH-UHFFFAOYSA-N -1 3 318.308 2.553 20 0 DFADHM O=C(N[C@H]1CCc2ccccc2C1=O)c1cc([O-])ccc1Cl ZINC000351482352 286131918 /nfs/dbraw/zinc/13/19/18/286131918.db2.gz JPMOPXAXWPICLE-HNNXBMFYSA-N -1 3 315.756 2.973 20 0 DFADHM COc1ccccc1[C@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000351556081 286151497 /nfs/dbraw/zinc/15/14/97/286151497.db2.gz NBRBJXMOLYIESO-LBPRGKRZSA-N -1 3 322.368 2.971 20 0 DFADHM Cc1ccc([O-])c(CN2CCO[C@H](CCc3ccccc3)C2)n1 ZINC000351591561 286162644 /nfs/dbraw/zinc/16/26/44/286162644.db2.gz FPTMUYNYCAOAKQ-QGZVFWFLSA-N -1 3 312.413 2.929 20 0 DFADHM Cc1ccccc1C1(O)CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000371573749 150066604 /nfs/dbraw/zinc/06/66/04/150066604.db2.gz JVXWIRHITADMOO-UHFFFAOYSA-N -1 3 311.381 2.824 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)c2csc(=O)[n-]2)C12CCCCC2 ZINC000372107639 150137726 /nfs/dbraw/zinc/13/77/26/150137726.db2.gz HPJSENQANCSOPQ-VXGBXAGGSA-N -1 3 310.419 2.706 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)c2csc(=O)[n-]2)C12CCCCC2 ZINC000372107638 150137740 /nfs/dbraw/zinc/13/77/40/150137740.db2.gz HPJSENQANCSOPQ-RYUDHWBXSA-N -1 3 310.419 2.706 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000372117432 150138804 /nfs/dbraw/zinc/13/88/04/150138804.db2.gz SONWKRRLFSJHDG-LBPRGKRZSA-N -1 3 303.387 2.565 20 0 DFADHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000351596223 286164011 /nfs/dbraw/zinc/16/40/11/286164011.db2.gz NPAAINZOOGZKSY-XADBCAIWSA-N -1 3 324.229 2.599 20 0 DFADHM C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000351596222 286164029 /nfs/dbraw/zinc/16/40/29/286164029.db2.gz NPAAINZOOGZKSY-PKRMOACSSA-N -1 3 324.229 2.599 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCO[C@H](C3CC3)C2)c([O-])c1 ZINC000372756184 150180656 /nfs/dbraw/zinc/18/06/56/150180656.db2.gz BEZUINJGMOAGTA-KRWDZBQOSA-N -1 3 319.401 2.822 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)c([O-])c1 ZINC000372876272 150195413 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O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCc2c(nc[n-]c2=O)C1 ZINC000273294741 304364997 /nfs/dbraw/zinc/36/49/97/304364997.db2.gz VHQYGMZMTWBHNO-MGPQQGTHSA-N -1 3 315.417 2.673 20 0 DFADHM C[C@@H]1C[C@@H]1CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000351761512 286212433 /nfs/dbraw/zinc/21/24/33/286212433.db2.gz CRODPIQVMDANEG-TZMCWYRMSA-N -1 3 316.401 2.615 20 0 DFADHM COc1cc(C)ccc1OCC(=O)Nc1ccc([O-])cc1F ZINC000121823822 286212444 /nfs/dbraw/zinc/21/24/44/286212444.db2.gz WXQHECLNKWGVPT-UHFFFAOYSA-N -1 3 305.305 2.866 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)c(Cl)c1 ZINC000451068465 297741869 /nfs/dbraw/zinc/74/18/69/297741869.db2.gz IIFGZBPAXJDPAS-SSDOTTSWSA-N -1 3 313.753 2.671 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCC3)C[C@H]2C)c1 ZINC000408415691 150893392 /nfs/dbraw/zinc/89/33/92/150893392.db2.gz PFELGOPXKMPPAT-LLVKDONJSA-N -1 3 302.374 2.755 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1sccc1Cl ZINC000351838725 286229567 /nfs/dbraw/zinc/22/95/67/286229567.db2.gz ZZCFYYODMLRCRA-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1sccc1Cl ZINC000351838725 286229569 /nfs/dbraw/zinc/22/95/69/286229569.db2.gz ZZCFYYODMLRCRA-UHFFFAOYSA-N -1 3 305.750 2.834 20 0 DFADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]Cc1ccno1 ZINC000351920280 286244596 /nfs/dbraw/zinc/24/45/96/286244596.db2.gz YWNVNHPMWZGBGZ-UHFFFAOYSA-N -1 3 321.185 2.601 20 0 DFADHM CSc1nnc(NC(=O)[C@@H](C)Cn2ccc3ccccc32)[n-]1 ZINC000351963145 286256806 /nfs/dbraw/zinc/25/68/06/286256806.db2.gz BWPWNXOXVOQFFR-JTQLQIEISA-N -1 3 315.402 2.756 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H](C)Cn2ccc3ccccc32)n1 ZINC000351963145 286256807 /nfs/dbraw/zinc/25/68/07/286256807.db2.gz BWPWNXOXVOQFFR-JTQLQIEISA-N -1 3 315.402 2.756 20 0 DFADHM CSc1nc(NC(=O)[C@@H](C)Cn2ccc3ccccc32)n[n-]1 ZINC000351963145 286256808 /nfs/dbraw/zinc/25/68/08/286256808.db2.gz BWPWNXOXVOQFFR-JTQLQIEISA-N -1 3 315.402 2.756 20 0 DFADHM [O-]c1cc(F)cc(CN2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000351994256 286264229 /nfs/dbraw/zinc/26/42/29/286264229.db2.gz FMXSZPSLTYQVHY-OLZOCXBDSA-N -1 3 307.287 2.809 20 0 DFADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C1CCC(O)CC1 ZINC000352057547 286281857 /nfs/dbraw/zinc/28/18/57/286281857.db2.gz LIIDEJYEBFMXTJ-UHFFFAOYSA-N -1 3 319.279 2.780 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cnc3ccsc3c2)o1 ZINC000352083442 286288030 /nfs/dbraw/zinc/28/80/30/286288030.db2.gz OIYVAKVZFXIVPR-VIFPVBQESA-N -1 3 323.399 2.632 20 0 DFADHM Cc1cc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)ccc1[O-] ZINC000427818311 296668625 /nfs/dbraw/zinc/66/86/25/296668625.db2.gz HPTFQZZZRSGHMC-UHFFFAOYSA-N -1 3 308.337 2.805 20 0 DFADHM CN(C)C(=O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000352142088 286302951 /nfs/dbraw/zinc/30/29/51/286302951.db2.gz VPOWBJHNYFMOME-UHFFFAOYSA-N -1 3 318.760 3.000 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)cc(OC)c1[O-] ZINC000352283812 286335890 /nfs/dbraw/zinc/33/58/90/286335890.db2.gz JPIDGDZUZUDKSK-DMDPSCGWSA-N -1 3 307.390 2.964 20 0 DFADHM Cc1ccn2cc(CNCc3c(F)ccc([O-])c3F)nc2c1 ZINC000352441710 286374820 /nfs/dbraw/zinc/37/48/20/286374820.db2.gz BPWVILLXABSRNM-UHFFFAOYSA-N -1 3 303.312 2.916 20 0 DFADHM O=S(=O)([N-]CCc1cccc(F)c1F)c1ccccc1F ZINC000352478582 286384267 /nfs/dbraw/zinc/38/42/67/286384267.db2.gz YKCLSNFXHKSPDG-UHFFFAOYSA-N -1 3 315.316 2.625 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1cc(F)cc(F)c1 ZINC000451822471 297881508 /nfs/dbraw/zinc/88/15/08/297881508.db2.gz KHPOXJNYTSAFNP-MRVPVSSYSA-N -1 3 311.300 2.679 20 0 DFADHM C[C@]1(O)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000352461038 286380052 /nfs/dbraw/zinc/38/00/52/286380052.db2.gz MCXXKQYBJDSMEK-KRWDZBQOSA-N -1 3 309.381 2.618 20 0 DFADHM O=C(CCNCc1c(F)ccc([O-])c1F)Nc1ccccc1 ZINC000352498511 286389199 /nfs/dbraw/zinc/38/91/99/286389199.db2.gz GFYJVVDGPKXRGE-UHFFFAOYSA-N -1 3 306.312 2.789 20 0 DFADHM CC(C)(C)Oc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000352502763 286390742 /nfs/dbraw/zinc/39/07/42/286390742.db2.gz YJBBXXKROUVVDH-UHFFFAOYSA-N -1 3 300.358 2.895 20 0 DFADHM COc1ccccc1[C@H](C)CC(=O)NCc1ncccc1[O-] ZINC000352511211 286393444 /nfs/dbraw/zinc/39/34/44/286393444.db2.gz XFIWCQFTAZTJKQ-GFCCVEGCSA-N -1 3 300.358 2.606 20 0 DFADHM Cc1cccc(C(=O)NCc2ncccc2[O-])c1Br ZINC000352511453 286393466 /nfs/dbraw/zinc/39/34/66/286393466.db2.gz XSZKEPLBEJERFZ-UHFFFAOYSA-N -1 3 321.174 2.788 20 0 DFADHM Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ncccc1[O-] ZINC000352516078 286394717 /nfs/dbraw/zinc/39/47/17/286394717.db2.gz JOLAQMSERAQHHD-UHFFFAOYSA-N -1 3 323.352 2.610 20 0 DFADHM C[C@@H](CSCc1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000352517071 286395229 /nfs/dbraw/zinc/39/52/29/286395229.db2.gz NMNZGDARAJUKOK-ZDUSSCGKSA-N -1 3 316.426 2.973 20 0 DFADHM C[C@H](SCc1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000352517846 286395457 /nfs/dbraw/zinc/39/54/57/286395457.db2.gz SWTDRNZBXDGITD-LBPRGKRZSA-N -1 3 302.399 2.725 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000352517736 286395468 /nfs/dbraw/zinc/39/54/68/286395468.db2.gz RKMFPCDNGKTRAU-UHFFFAOYSA-N -1 3 300.358 2.896 20 0 DFADHM CC(C)Cn1ncc(C(=O)NCc2ncccc2[O-])c1C(F)F ZINC000352518264 286395637 /nfs/dbraw/zinc/39/56/37/286395637.db2.gz WGIRTRJRKHPPBR-UHFFFAOYSA-N -1 3 324.331 2.507 20 0 DFADHM Cc1ccc(-c2cc(C(=O)NCc3ncccc3[O-])[nH]n2)c(C)c1 ZINC000352506679 286391828 /nfs/dbraw/zinc/39/18/28/286391828.db2.gz IBKUYXYSDGMSDZ-UHFFFAOYSA-N -1 3 322.368 2.724 20 0 DFADHM COc1cc(C(=O)N2CCOc3ccc(F)cc3C2)ccc1[O-] ZINC000428429839 296696354 /nfs/dbraw/zinc/69/63/54/296696354.db2.gz GAPYLMALKHYYPB-UHFFFAOYSA-N -1 3 317.316 2.575 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N[C@H]1C[C@@H]1C1CC1 ZINC000352638777 286427491 /nfs/dbraw/zinc/42/74/91/286427491.db2.gz XGTQPGVUXQUTAQ-NEPJUHHUSA-N -1 3 310.191 2.612 20 0 DFADHM CN(C(=O)c1cccc([O-])c1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000352787488 286468015 /nfs/dbraw/zinc/46/80/15/286468015.db2.gz FHYYJPWFUAFCQW-INIZCTEOSA-N -1 3 307.353 2.977 20 0 DFADHM [O-]c1ccc(F)c(CNCc2ncnn2-c2ccccc2)c1F ZINC000353233026 286586186 /nfs/dbraw/zinc/58/61/86/286586186.db2.gz MCIYRFIIGJKQBH-UHFFFAOYSA-N -1 3 316.311 2.541 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000353323210 286612900 /nfs/dbraw/zinc/61/29/00/286612900.db2.gz JRAJHQMZSJKBNX-STQMWFEESA-N -1 3 313.467 2.786 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)cc2C)c1 ZINC000353335473 286616442 /nfs/dbraw/zinc/61/64/42/286616442.db2.gz QWNPEEOZIIIKFT-ZDUSSCGKSA-N -1 3 307.419 2.559 20 0 DFADHM C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc([O-])c1 ZINC000182812583 158006942 /nfs/dbraw/zinc/00/69/42/158006942.db2.gz DKKZCAGSRGWGSA-NSHDSACASA-N -1 3 301.317 2.923 20 0 DFADHM Cc1ccn(-c2ccccc2CNC(=O)c2cccc([O-])c2)n1 ZINC000182828889 158008279 /nfs/dbraw/zinc/00/82/79/158008279.db2.gz AMECBUPGYDADFN-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000183056428 158013021 /nfs/dbraw/zinc/01/30/21/158013021.db2.gz JJINLGDPZFWJIP-LBPRGKRZSA-N -1 3 301.342 2.599 20 0 DFADHM CCCc1noc(CCCC(=O)Nc2ccc([O-])cc2F)n1 ZINC000183270337 158013894 /nfs/dbraw/zinc/01/38/94/158013894.db2.gz RUGRGUKSMPQIJM-UHFFFAOYSA-N -1 3 307.325 2.828 20 0 DFADHM C[C@H]1CC(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000183721080 158023566 /nfs/dbraw/zinc/02/35/66/158023566.db2.gz GFDKSUTWNDBICY-VXGBXAGGSA-N -1 3 313.405 2.555 20 0 DFADHM C[C@H]1CC(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000183721080 158023568 /nfs/dbraw/zinc/02/35/68/158023568.db2.gz GFDKSUTWNDBICY-VXGBXAGGSA-N -1 3 313.405 2.555 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@@H]3C(C)C)[n-]c21 ZINC000185301473 158053689 /nfs/dbraw/zinc/05/36/89/158053689.db2.gz FADDNGSRDLDCGI-GHMZBOCLSA-N -1 3 301.346 2.580 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@@H]3C(C)C)nc21 ZINC000185301473 158053691 /nfs/dbraw/zinc/05/36/91/158053691.db2.gz FADDNGSRDLDCGI-GHMZBOCLSA-N -1 3 301.346 2.580 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@H](C)CC(C)C)[n-]c21 ZINC000185528074 158062307 /nfs/dbraw/zinc/06/23/07/158062307.db2.gz AIKREBYTPAZMPH-SNVBAGLBSA-N -1 3 303.362 2.970 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)CC(C)C)nc21 ZINC000185528074 158062308 /nfs/dbraw/zinc/06/23/08/158062308.db2.gz AIKREBYTPAZMPH-SNVBAGLBSA-N -1 3 303.362 2.970 20 0 DFADHM O=S(=O)([N-]CCn1cccc1)c1ccc(Cl)cc1Cl ZINC000429870761 296761912 /nfs/dbraw/zinc/76/19/12/296761912.db2.gz KNYAYFYQGKKCTM-UHFFFAOYSA-N -1 3 319.213 2.773 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(F)c1 ZINC000429897314 296762492 /nfs/dbraw/zinc/76/24/92/296762492.db2.gz SZDWUXMULFDVHF-VIFPVBQESA-N -1 3 323.336 2.548 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1ccc(F)c(F)c1 ZINC000429914760 296763327 /nfs/dbraw/zinc/76/33/27/296763327.db2.gz UJCIVUJTJIGSAG-QMMMGPOBSA-N -1 3 311.300 2.679 20 0 DFADHM Cc1cccc(C)c1[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000355163145 158288233 /nfs/dbraw/zinc/28/82/33/158288233.db2.gz AVERQQNRTMFREN-GFCCVEGCSA-N -1 3 322.364 2.678 20 0 DFADHM O=C(NCc1ccn(Cc2ccccc2)n1)c1cccc([O-])c1 ZINC000356996772 158342297 /nfs/dbraw/zinc/34/22/97/158342297.db2.gz HWQDGBSCRRGYMN-UHFFFAOYSA-N -1 3 307.353 2.567 20 0 DFADHM Cc1cc(C(=O)NCc2ccn(Cc3ccccc3)n2)ccc1[O-] ZINC000357005695 158344798 /nfs/dbraw/zinc/34/47/98/158344798.db2.gz RMVAUSWXAZBFLS-UHFFFAOYSA-N -1 3 321.380 2.875 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)c[n-]1 ZINC000357011201 158347299 /nfs/dbraw/zinc/34/72/99/158347299.db2.gz UEJMRQGLBCCXJP-LLVKDONJSA-N -1 3 318.377 2.857 20 0 DFADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1nc[n-]n1 ZINC000358510374 158384573 /nfs/dbraw/zinc/38/45/73/158384573.db2.gz RBADPJIYHZKXEU-UHFFFAOYSA-N -1 3 308.341 2.774 20 0 DFADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(C)(C)O ZINC000360138983 158440484 /nfs/dbraw/zinc/44/04/84/158440484.db2.gz ITHGJWVUEAXSNG-GFCCVEGCSA-N -1 3 323.817 2.553 20 0 DFADHM CC(C)OCCO[N-]C(=O)/C=C/c1cn(C)c2ccccc12 ZINC000493625940 299802145 /nfs/dbraw/zinc/80/21/45/299802145.db2.gz WHOMEXNTFGJATQ-CMDGGOBGSA-N -1 3 302.374 2.664 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000376456384 158879035 /nfs/dbraw/zinc/87/90/35/158879035.db2.gz XNHDSRTYEOILLT-MRVPVSSYSA-N -1 3 310.325 2.757 20 0 DFADHM CCC(CC)[C@@H](CCNC(=O)c1ccc2n[n-]nc2c1)OC ZINC000438166697 297083585 /nfs/dbraw/zinc/08/35/85/297083585.db2.gz GPFDQYGQTZQUJF-OAHLLOKOSA-N -1 3 304.394 2.529 20 0 DFADHM COc1cccc(/C=C\C(=O)[N-]OC2CCC2)c1OC(F)F ZINC000493725740 299816866 /nfs/dbraw/zinc/81/68/66/299816866.db2.gz XOLNXOCMOSBRQO-HJWRWDBZSA-N -1 3 313.300 2.910 20 0 DFADHM C/C=C/C=C\C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000493743291 299820251 /nfs/dbraw/zinc/82/02/51/299820251.db2.gz VSVDCJILMMLWFL-STMOGGTPSA-N -1 3 302.765 2.628 20 0 DFADHM NC(=O)Nc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000431515863 296837597 /nfs/dbraw/zinc/83/75/97/296837597.db2.gz DBLNWAIBHWTTFY-UHFFFAOYSA-N -1 3 305.721 2.789 20 0 DFADHM COc1ccc(OC)c(CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000431522629 296837933 /nfs/dbraw/zinc/83/79/33/296837933.db2.gz VQLHKRKKSJBUIV-UHFFFAOYSA-N -1 3 321.760 2.993 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2nc3c(cccc3C)s2)c[n-]1 ZINC000431682641 296845643 /nfs/dbraw/zinc/84/56/43/296845643.db2.gz UERMREHYUUHYGJ-UHFFFAOYSA-N -1 3 315.354 2.972 20 0 DFADHM CCOc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2[n-]1 ZINC000431759932 296849138 /nfs/dbraw/zinc/84/91/38/296849138.db2.gz QKZYPMLUSCPCRL-UHFFFAOYSA-N -1 3 311.341 2.597 20 0 DFADHM C[C@]1(O)CCCN(Cc2cc([O-])ccc2Br)C1 ZINC000129543993 196056198 /nfs/dbraw/zinc/05/61/98/196056198.db2.gz WBUAXOIVHVHJCV-ZDUSSCGKSA-N -1 3 300.196 2.502 20 0 DFADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000053427019 425888006 /nfs/dbraw/zinc/88/80/06/425888006.db2.gz IXZMJNNXOXOTJW-SECBINFHSA-N -1 3 313.386 2.728 20 0 DFADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000053427019 425888007 /nfs/dbraw/zinc/88/80/07/425888007.db2.gz IXZMJNNXOXOTJW-SECBINFHSA-N -1 3 313.386 2.728 20 0 DFADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000053427019 425888008 /nfs/dbraw/zinc/88/80/08/425888008.db2.gz IXZMJNNXOXOTJW-SECBINFHSA-N -1 3 313.386 2.728 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000130953396 196126739 /nfs/dbraw/zinc/12/67/39/196126739.db2.gz RECOGHMLXPZHOF-HZPDHXFCSA-N -1 3 319.368 2.917 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000130953396 196126741 /nfs/dbraw/zinc/12/67/41/196126741.db2.gz RECOGHMLXPZHOF-HZPDHXFCSA-N -1 3 319.368 2.917 20 0 DFADHM O=C(CSc1ccc(O)cc1)NCc1ccc([O-])c(F)c1 ZINC000132404829 196253555 /nfs/dbraw/zinc/25/35/55/196253555.db2.gz HTZHZYIFRQBRGK-UHFFFAOYSA-N -1 3 307.346 2.645 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 ZINC000132297312 196243944 /nfs/dbraw/zinc/24/39/44/196243944.db2.gz PWDDXMVFYRNUHI-UHFFFAOYSA-N -1 3 317.414 2.651 20 0 DFADHM CC(C)=C(F)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000132571719 196266624 /nfs/dbraw/zinc/26/66/24/196266624.db2.gz KHIBURBRAQZDOA-UHFFFAOYSA-N -1 3 301.321 2.947 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccco3)C2)c1 ZINC000133251897 196325401 /nfs/dbraw/zinc/32/54/01/196325401.db2.gz YIYZGSWJPPHPIR-MRXNPFEDSA-N -1 3 301.342 2.761 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3sccc3C2)c1 ZINC000055165536 425892408 /nfs/dbraw/zinc/89/24/08/425892408.db2.gz AGKOXJCECNSIRE-UHFFFAOYSA-N -1 3 316.382 2.611 20 0 DFADHM Cc1nc(C)c(CCC(=O)NCCC(C)(C)C2CC2)c(=O)[n-]1 ZINC000295513992 224929177 /nfs/dbraw/zinc/92/91/77/224929177.db2.gz FQQBUFOPENIUCJ-UHFFFAOYSA-N -1 3 305.422 2.674 20 0 DFADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1Cl ZINC000295699298 225139509 /nfs/dbraw/zinc/13/95/09/225139509.db2.gz JUVNRTQTUQTPDK-SECBINFHSA-N -1 3 324.229 2.759 20 0 DFADHM CSc1ccc([O-])c(C(=O)N(CCN(C)C)CC(C)C)c1 ZINC000668300901 543789153 /nfs/dbraw/zinc/78/91/53/543789153.db2.gz ZSMXIUYEECNCFH-UHFFFAOYSA-N -1 3 310.463 2.774 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C)c(F)cc1Br ZINC000668198775 543765443 /nfs/dbraw/zinc/76/54/43/543765443.db2.gz DZGWQJFKOGFHTJ-GMSGAONNSA-N -1 3 322.199 2.583 20 0 DFADHM CCOc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccco2)cc1 ZINC000668222347 543770900 /nfs/dbraw/zinc/77/09/00/543770900.db2.gz OPVMIFNCPLVIAL-CYBMUJFWSA-N -1 3 323.414 2.835 20 0 DFADHM CSc1ccc([O-])c(C(=O)NCCc2ccc(C)nc2)c1 ZINC000668578334 543830951 /nfs/dbraw/zinc/83/09/51/543830951.db2.gz QFRHVVBCZBIEOX-UHFFFAOYSA-N -1 3 302.399 2.790 20 0 DFADHM [O-]c1cccc(CN(CCN2CCOCC2)CC2CC2)c1Cl ZINC000668681071 543844763 /nfs/dbraw/zinc/84/47/63/543844763.db2.gz DOVATONLUFQVRX-UHFFFAOYSA-N -1 3 324.852 2.590 20 0 DFADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000330820244 287377647 /nfs/dbraw/zinc/37/76/47/287377647.db2.gz NBVRFOYAKCGPNB-VXGBXAGGSA-N -1 3 324.446 2.613 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)c1 ZINC000668865763 543880982 /nfs/dbraw/zinc/88/09/82/543880982.db2.gz DQAMSVJSJLRTCP-STQMWFEESA-N -1 3 320.458 2.813 20 0 DFADHM CSc1ccc([O-])c(C(=O)NCCCCn2ccnc2C)c1 ZINC000669143816 543912655 /nfs/dbraw/zinc/91/26/55/543912655.db2.gz VMJQTPPWHLCQMT-UHFFFAOYSA-N -1 3 319.430 2.829 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CCn3c(C)c(C)nc3C2)c1 ZINC000668965755 543891614 /nfs/dbraw/zinc/89/16/14/543891614.db2.gz RFIJOJHYVDKOFE-UHFFFAOYSA-N -1 3 317.414 2.583 20 0 DFADHM CN(C)c1nc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2[nH]1 ZINC000670245204 544029761 /nfs/dbraw/zinc/02/97/61/544029761.db2.gz SEHXNXOYINGFPB-UHFFFAOYSA-N -1 3 314.320 2.726 20 0 DFADHM C[C@@H](CN1CCN(C(=O)c2ccccc2[O-])CC1)C(C)(C)C ZINC000670262628 544030723 /nfs/dbraw/zinc/03/07/23/544030723.db2.gz VVTUAHCIHRNQRH-AWEZNQCLSA-N -1 3 304.434 2.832 20 0 DFADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccsc1 ZINC000669835122 543999100 /nfs/dbraw/zinc/99/91/00/543999100.db2.gz NDRHPBPQRVMDJG-MRVPVSSYSA-N -1 3 315.354 2.514 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)c2ccsc2)s1 ZINC000669844170 543999923 /nfs/dbraw/zinc/99/99/23/543999923.db2.gz WHVNOFMTEYTFEX-ZETCQYMHSA-N -1 3 302.446 2.861 20 0 DFADHM O=C(Nc1cccc2cnncc21)c1c[n-]nc1-c1ccncc1 ZINC000670431368 544039440 /nfs/dbraw/zinc/03/94/40/544039440.db2.gz MMMRHHVTSUJANT-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1cccc2cnncc21)c1cn[n-]c1-c1ccncc1 ZINC000670431368 544039442 /nfs/dbraw/zinc/03/94/42/544039442.db2.gz MMMRHHVTSUJANT-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM CCN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)c1cccc(Cl)c1 ZINC000434062354 296926081 /nfs/dbraw/zinc/92/60/81/296926081.db2.gz MCCOCKWMTUODAN-UHFFFAOYSA-N -1 3 320.780 2.568 20 0 DFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@H]1C1CC1 ZINC000672854372 544157645 /nfs/dbraw/zinc/15/76/45/544157645.db2.gz AHLCQFZZQAOQHJ-AWEZNQCLSA-N -1 3 318.323 2.821 20 0 DFADHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1noc2c1CCCCC2 ZINC000672867893 544157936 /nfs/dbraw/zinc/15/79/36/544157936.db2.gz WUMKMYHRKHMJSP-UHFFFAOYSA-N -1 3 319.386 2.665 20 0 DFADHM CN(C(=O)c1ccc2n[n-]nc2c1)c1cccc2cccnc21 ZINC000673440159 544180017 /nfs/dbraw/zinc/18/00/17/544180017.db2.gz FGNDVYHDFMODRC-UHFFFAOYSA-N -1 3 303.325 2.783 20 0 DFADHM CCCCC1CCC(C(=O)NCCCc2cc(=O)[nH][n-]2)CC1 ZINC000673543731 544183842 /nfs/dbraw/zinc/18/38/42/544183842.db2.gz DTPDWJXTRZJGHR-UHFFFAOYSA-N -1 3 307.438 2.755 20 0 DFADHM CCC(CC)(C(=O)NCCCc1cc(=O)[nH][n-]1)c1ccccc1 ZINC000673544700 544184097 /nfs/dbraw/zinc/18/40/97/544184097.db2.gz DKZCNWAEURBGHZ-UHFFFAOYSA-N -1 3 315.417 2.517 20 0 DFADHM COc1ccccc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000673586799 544185594 /nfs/dbraw/zinc/18/55/94/544185594.db2.gz BFVFIKXBFLFQTR-UHFFFAOYSA-N -1 3 305.346 2.551 20 0 DFADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000442749227 297204360 /nfs/dbraw/zinc/20/43/60/297204360.db2.gz DKYIMAGVOBYWJB-MGCOHNPYSA-N -1 3 322.352 2.957 20 0 DFADHM CC(=O)c1cnc(NC(=O)c2c(C)[n-]nc2C(F)(F)F)s1 ZINC000673742216 544195261 /nfs/dbraw/zinc/19/52/61/544195261.db2.gz GZXXDFVZQODARC-UHFFFAOYSA-N -1 3 318.280 2.648 20 0 DFADHM CC(C)c1nc(S(=O)(=O)[N-]CCCCc2ccccc2)c[nH]1 ZINC000673818814 544200367 /nfs/dbraw/zinc/20/03/67/544200367.db2.gz OLWMXKLWGSBGOF-UHFFFAOYSA-N -1 3 321.446 2.834 20 0 DFADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000673821206 544200717 /nfs/dbraw/zinc/20/07/17/544200717.db2.gz PQZFSEJBELUTOY-CQSZACIVSA-N -1 3 321.446 2.833 20 0 DFADHM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H](N2CCCCC2)C1 ZINC000364004623 304489879 /nfs/dbraw/zinc/48/98/79/304489879.db2.gz QXJJIDOGAIEXFD-CYBMUJFWSA-N -1 3 324.371 2.761 20 0 DFADHM CCN(C(=O)c1cc(OC)ccc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000291373526 222349484 /nfs/dbraw/zinc/34/94/84/222349484.db2.gz BUIICKKNEQBQPW-LBPRGKRZSA-N -1 3 307.390 2.821 20 0 DFADHM COc1ccc(C(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([O-])c1 ZINC000291400279 222366404 /nfs/dbraw/zinc/36/64/04/222366404.db2.gz HSGDPNPQNZHQJI-CVEARBPZSA-N -1 3 317.385 2.575 20 0 DFADHM O=C(CCCCCc1ccc(O)cc1)Nc1ccncc1[O-] ZINC000673934748 544209114 /nfs/dbraw/zinc/20/91/14/544209114.db2.gz MQCHAZYDQOQXIY-UHFFFAOYSA-N -1 3 300.358 2.656 20 0 DFADHM Cn1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C(F)(F)F ZINC000674015379 544214299 /nfs/dbraw/zinc/21/42/99/544214299.db2.gz KQFHWYZAXLAYGG-UHFFFAOYSA-N -1 3 303.215 2.536 20 0 DFADHM Cc1nc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)cs1 ZINC000674675383 544250403 /nfs/dbraw/zinc/25/04/03/544250403.db2.gz AMQXTCXMADTOPX-UHFFFAOYSA-N 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/nfs/dbraw/zinc/36/20/78/544362078.db2.gz ADGXDKZQYPILMR-UHFFFAOYSA-N -1 3 317.326 2.656 20 0 DFADHM CCc1cccc(C(=O)N(C)Cc2ccc(OC)nc2)c1[O-] ZINC000676702147 544393668 /nfs/dbraw/zinc/39/36/68/544393668.db2.gz QIVYZNCACZXKCW-UHFFFAOYSA-N -1 3 300.358 2.630 20 0 DFADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)c1ccc2n[n-]nc2c1 ZINC000676762334 544401607 /nfs/dbraw/zinc/40/16/07/544401607.db2.gz CACZPORBBKIRPL-CQSZACIVSA-N -1 3 323.400 2.895 20 0 DFADHM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000677241231 544457175 /nfs/dbraw/zinc/45/71/75/544457175.db2.gz UQICPESSVPUOQX-GJZGRUSLSA-N -1 3 322.817 2.744 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(C)C ZINC000442915304 297211251 /nfs/dbraw/zinc/21/12/51/297211251.db2.gz YSBQXDNUKGNZGE-SNVBAGLBSA-N -1 3 310.341 2.813 20 0 DFADHM Cn1ncc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1C(F)F ZINC000677607834 544510913 /nfs/dbraw/zinc/51/09/13/544510913.db2.gz UGQOUOTWZFILQA-UHFFFAOYSA-N -1 3 307.260 2.593 20 0 DFADHM 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[O-]c1cccc(CNC[C@@H]2CCCCO2)c1Br ZINC000315286782 268343044 /nfs/dbraw/zinc/34/30/44/268343044.db2.gz CTZPPVCLHKKJNI-NSHDSACASA-N -1 3 300.196 2.813 20 0 DFADHM [O-]c1cccc(CNC[C@H]2CCCCO2)c1Br ZINC000315286781 268343047 /nfs/dbraw/zinc/34/30/47/268343047.db2.gz CTZPPVCLHKKJNI-LLVKDONJSA-N -1 3 300.196 2.813 20 0 DFADHM [O-]c1cccc(CN[C@H]2CCC[C@H](CO)C2)c1Br ZINC000315307859 268343082 /nfs/dbraw/zinc/34/30/82/268343082.db2.gz GFOCHQWHVHLXMC-JQWIXIFHSA-N -1 3 314.223 2.795 20 0 DFADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@@H](C)O1 ZINC000315598453 268343180 /nfs/dbraw/zinc/34/31/80/268343180.db2.gz HGADBUAEDFDKII-NXEZZACHSA-N -1 3 300.196 2.764 20 0 DFADHM CCCN1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000316222163 268344452 /nfs/dbraw/zinc/34/44/52/268344452.db2.gz WPVKTCLIHLJDAR-UHFFFAOYSA-N -1 3 313.239 2.682 20 0 DFADHM Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c([O-])c1 ZINC000316544616 268344871 /nfs/dbraw/zinc/34/48/71/268344871.db2.gz RBIXUNUMQXRXAO-FVQBIDKESA-N -1 3 303.402 2.856 20 0 DFADHM 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COc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2)cc1Cl ZINC000074932170 426058892 /nfs/dbraw/zinc/05/88/92/426058892.db2.gz JVRQULOIJUXAGC-UHFFFAOYSA-N -1 3 312.778 2.853 20 0 DFADHM CCN(CCc1nccs1)C(=O)c1cc(OC)ccc1[O-] ZINC000162310555 426060376 /nfs/dbraw/zinc/06/03/76/426060376.db2.gz MCEZKLLYOVYRDB-UHFFFAOYSA-N -1 3 306.387 2.562 20 0 DFADHM CC(C)CO[C@H](C)c1noc(C[S@@](=O)c2ccc([O-])cc2)n1 ZINC000075078973 426061801 /nfs/dbraw/zinc/06/18/01/426061801.db2.gz LRJXNUIBWFSELN-XFNZEKPQSA-N -1 3 324.402 2.817 20 0 DFADHM CC(C)CO[C@@H](C)c1noc(C[S@](=O)c2ccc([O-])cc2)n1 ZINC000075078974 426061877 /nfs/dbraw/zinc/06/18/77/426061877.db2.gz LRJXNUIBWFSELN-KPWVOAKYSA-N -1 3 324.402 2.817 20 0 DFADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000162460846 426065042 /nfs/dbraw/zinc/06/50/42/426065042.db2.gz OAZTVQSOWXMPBP-QLJPJBMISA-N -1 3 301.346 2.724 20 0 DFADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000162460846 426065046 /nfs/dbraw/zinc/06/50/46/426065046.db2.gz 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/nfs/dbraw/zinc/06/81/91/426068191.db2.gz KWMQXJNVXZICTB-UHFFFAOYSA-N -1 3 319.382 2.827 20 0 DFADHM Cc1ccc(C)c(NC(=O)C[S@@](=O)c2ccc([O-])cc2)c1 ZINC000108086493 426010361 /nfs/dbraw/zinc/01/03/61/426010361.db2.gz HAIVAWNNYQBODH-NRFANRHFSA-N -1 3 303.383 2.755 20 0 DFADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(C)ccc1F)C(C)C ZINC000072715476 426019148 /nfs/dbraw/zinc/01/91/48/426019148.db2.gz MKRCGRLMTKBETM-AWEZNQCLSA-N -1 3 317.426 2.864 20 0 DFADHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(F)cc(F)c1)C(C)C ZINC000072714806 426019839 /nfs/dbraw/zinc/01/98/39/426019839.db2.gz RSHZKEOQNVZJLL-CQSZACIVSA-N -1 3 321.389 2.694 20 0 DFADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[N-]c2nncn2C)c1 ZINC000163027788 426087513 /nfs/dbraw/zinc/08/75/13/426087513.db2.gz PKIBKZHEBTYKSA-GFCCVEGCSA-N -1 3 302.378 2.653 20 0 DFADHM CCn1c2ccccc2nc1NC(=O)c1cccc2nn[n-]c21 ZINC000163464788 426100228 /nfs/dbraw/zinc/10/02/28/426100228.db2.gz ILIMIWWRCMUSJG-UHFFFAOYSA-N -1 3 306.329 2.580 20 0 DFADHM CCn1c2ccccc2nc1NC(=O)c1cccc2[n-]nnc21 ZINC000163464788 426100231 /nfs/dbraw/zinc/10/02/31/426100231.db2.gz ILIMIWWRCMUSJG-UHFFFAOYSA-N -1 3 306.329 2.580 20 0 DFADHM CCn1c2ccccc2nc1NC(=O)c1cccc2n[n-]nc21 ZINC000163464788 426100235 /nfs/dbraw/zinc/10/02/35/426100235.db2.gz ILIMIWWRCMUSJG-UHFFFAOYSA-N -1 3 306.329 2.580 20 0 DFADHM CCOc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)ccc1C ZINC000113154266 426106549 /nfs/dbraw/zinc/10/65/49/426106549.db2.gz JJPPUAKBYBTQOM-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCOc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)ccc1C ZINC000113154266 426106552 /nfs/dbraw/zinc/10/65/52/426106552.db2.gz JJPPUAKBYBTQOM-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCOc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)ccc1C ZINC000113154266 426106554 /nfs/dbraw/zinc/10/65/54/426106554.db2.gz JJPPUAKBYBTQOM-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)c1nc(C)cs1 ZINC000163687995 426106702 /nfs/dbraw/zinc/10/67/02/426106702.db2.gz ONVJMHAGPVTOEA-UHFFFAOYSA-N -1 3 322.386 2.841 20 0 DFADHM CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc([O-])c2)CC1 ZINC000170215299 426138345 /nfs/dbraw/zinc/13/83/45/426138345.db2.gz VZHOMMJAOFXCHI-UHFFFAOYSA-N -1 3 320.389 2.522 20 0 DFADHM O=C(Cc1noc(/C=C/c2cccc([O-])c2)n1)NC1CCCC1 ZINC000128265284 426110069 /nfs/dbraw/zinc/11/00/69/426110069.db2.gz VSXWSJRFWZCPAB-CMDGGOBGSA-N -1 3 313.357 2.547 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000128294720 426111408 /nfs/dbraw/zinc/11/14/08/426111408.db2.gz MWSYVZOLACINQL-AWEZNQCLSA-N -1 3 306.369 2.663 20 0 DFADHM CC[C@H](C)CS(=O)(=O)[N-][C@@H](COCC(C)C)c1ccco1 ZINC000113285992 426111495 /nfs/dbraw/zinc/11/14/95/426111495.db2.gz RUASBZMJNYDRBA-KBPBESRZSA-N -1 3 317.451 2.959 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cc(NC(C)=O)ccc2F)c1 ZINC000128299674 426111639 /nfs/dbraw/zinc/11/16/39/426111639.db2.gz LUZCSNKNHYEOIJ-UHFFFAOYSA-N -1 3 318.304 2.751 20 0 DFADHM CN1C(=O)CCc2cc(C(=O)Nc3cccc([O-])c3F)ccc21 ZINC000128454142 426117863 /nfs/dbraw/zinc/11/78/63/426117863.db2.gz VURQTLXPXYXAIT-UHFFFAOYSA-N -1 3 314.316 2.693 20 0 DFADHM Cc1nc(C)c(Cc2nc(-c3ccccc3Cl)no2)c(=O)[n-]1 ZINC000113732690 426120201 /nfs/dbraw/zinc/12/02/01/426120201.db2.gz VPNJEHXFGKLANG-UHFFFAOYSA-N -1 3 316.748 2.681 20 0 DFADHM COc1cccc(C(=O)N(C)CCOc2ccccc2C)c1[O-] ZINC000113768998 426121322 /nfs/dbraw/zinc/12/13/22/426121322.db2.gz KUKXOLLUWBTDKE-UHFFFAOYSA-N -1 3 315.369 2.860 20 0 DFADHM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000128641727 426126983 /nfs/dbraw/zinc/12/69/83/426126983.db2.gz VBLHPXTYEVGWMQ-NTZNESFSSA-N -1 3 320.364 2.507 20 0 DFADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCN1c1nccs1 ZINC000128653361 426127011 /nfs/dbraw/zinc/12/70/11/426127011.db2.gz HNHWMEBGYMBMDP-JTQLQIEISA-N -1 3 307.350 2.595 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(Br)c2ccccc12 ZINC000169093819 426136407 /nfs/dbraw/zinc/13/64/07/426136407.db2.gz PRCOALNAKZQFDR-UHFFFAOYSA-N -1 3 300.177 2.974 20 0 DFADHM COc1cc(C(=O)N[C@@H](C)Cc2cccs2)cc(OC)c1[O-] ZINC000162804214 426077793 /nfs/dbraw/zinc/07/77/93/426077793.db2.gz DOHFWMBCRKMYMN-JTQLQIEISA-N -1 3 321.398 2.832 20 0 DFADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccncc2C)cc1C ZINC000112496631 426080246 /nfs/dbraw/zinc/08/02/46/426080246.db2.gz GNVBKHDJWRSTGY-UHFFFAOYSA-N -1 3 306.387 2.816 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)NC(=O)c2ccco2)c1[O-] ZINC000116979076 426203945 /nfs/dbraw/zinc/20/39/45/426203945.db2.gz DOYFXYALCZHDRC-SECBINFHSA-N -1 3 322.748 2.704 20 0 DFADHM CCN(Cc1c(F)cccc1F)C(=O)c1ccc2n[n-]nc2c1 ZINC000170633524 426141718 /nfs/dbraw/zinc/14/17/18/426141718.db2.gz GTUOEBFUVPIQMA-UHFFFAOYSA-N -1 3 316.311 2.898 20 0 DFADHM CC(C)COC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccco1 ZINC000170746916 426147489 /nfs/dbraw/zinc/14/74/89/426147489.db2.gz NTDPFMODUVZMFF-CQSZACIVSA-N -1 3 319.357 2.835 20 0 DFADHM CC(C)[C@@H](NC(=O)c1ccccc1[O-])c1nc(C2CC2)no1 ZINC000170807430 426152551 /nfs/dbraw/zinc/15/25/51/426152551.db2.gz IFSBRTRCNPQMCD-CYBMUJFWSA-N -1 3 301.346 2.780 20 0 DFADHM CCCN(CC)c1ccc(C(=O)Nc2ncccc2[O-])cn1 ZINC000130272947 426153940 /nfs/dbraw/zinc/15/39/40/426153940.db2.gz MAELDCFQFSOBMF-UHFFFAOYSA-N -1 3 300.362 2.671 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nccs1 ZINC000078004448 426154441 /nfs/dbraw/zinc/15/44/41/426154441.db2.gz FKQWMOPMCKDIHF-NSHDSACASA-N -1 3 300.380 2.712 20 0 DFADHM Cc1cccnc1[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(C)C ZINC000115407773 426163525 /nfs/dbraw/zinc/16/35/25/426163525.db2.gz RFLLCRVIWWSOQQ-HNNXBMFYSA-N -1 3 309.373 2.788 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@@H](C)CCC2CCCCC2)c(=O)[n-]1 ZINC000115446006 426164065 /nfs/dbraw/zinc/16/40/65/426164065.db2.gz JROCUFRMEYVCIG-LBPRGKRZSA-N -1 3 319.449 2.794 20 0 DFADHM CCOC(=O)Cc1csc(NC(=O)c2cccc(C)c2[O-])n1 ZINC000078343200 426165971 /nfs/dbraw/zinc/16/59/71/426165971.db2.gz AKQBOKHCWXPLDC-UHFFFAOYSA-N -1 3 320.370 2.515 20 0 DFADHM COc1cccc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)c1[O-] ZINC000078361415 426167367 /nfs/dbraw/zinc/16/73/67/426167367.db2.gz NQMOHQASHPABCS-JSGCOSHPSA-N -1 3 307.390 2.726 20 0 DFADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1C ZINC000078580801 426176428 /nfs/dbraw/zinc/17/64/28/426176428.db2.gz BMIRIOZNZYRDMG-UHFFFAOYSA-N -1 3 323.345 2.722 20 0 DFADHM Cc1cccc(C(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)c1[O-] ZINC000116050873 426176937 /nfs/dbraw/zinc/17/69/37/426176937.db2.gz RILBXSMPKCCSIF-UONOGXRCSA-N -1 3 318.417 2.514 20 0 DFADHM COCCC1(CNC(=O)c2cccc(OC)c2[O-])CCCC1 ZINC000133417148 426177177 /nfs/dbraw/zinc/17/71/77/426177177.db2.gz UBPVTUPARLVNHK-UHFFFAOYSA-N -1 3 307.390 2.728 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)c([O-])c1 ZINC000116056997 426178102 /nfs/dbraw/zinc/17/81/02/426178102.db2.gz YZRZNCQUIIMLAV-KBPBESRZSA-N -1 3 318.417 2.514 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)c([O-])c1 ZINC000116057000 426178333 /nfs/dbraw/zinc/17/83/33/426178333.db2.gz YZRZNCQUIIMLAV-ZIAGYGMSSA-N -1 3 318.417 2.514 20 0 DFADHM O=C(NC1(c2nccs2)CCCC1)c1ccc(O)cc1[O-] ZINC000116104788 426179214 /nfs/dbraw/zinc/17/92/14/426179214.db2.gz LRZRFNZDLAFWTN-UHFFFAOYSA-N -1 3 304.371 2.754 20 0 DFADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H](C(C)(C)C)CC2)c(=O)[n-]1 ZINC000116221505 426183416 /nfs/dbraw/zinc/18/34/16/426183416.db2.gz COVWNQAIFUDFDD-CQSZACIVSA-N -1 3 319.449 2.604 20 0 DFADHM COCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000171333302 426183966 /nfs/dbraw/zinc/18/39/66/426183966.db2.gz VIEMOHFTDBVPPB-UHFFFAOYSA-N -1 3 319.382 2.569 20 0 DFADHM COCc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000171329707 426184584 /nfs/dbraw/zinc/18/45/84/426184584.db2.gz HWUOLCIJEGFYCQ-UHFFFAOYSA-N -1 3 313.325 2.912 20 0 DFADHM O=S(=O)([N-]c1ccccc1OC[C@@H]1CCCCO1)C1CC1 ZINC000171338862 426185249 /nfs/dbraw/zinc/18/52/49/426185249.db2.gz MMGRWOXVDWNQHE-LBPRGKRZSA-N -1 3 311.403 2.539 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)C2CC2)c(OCC(F)(F)F)c1 ZINC000171338745 426185518 /nfs/dbraw/zinc/18/55/18/426185518.db2.gz KBXXXLWNYJHSDI-UHFFFAOYSA-N -1 3 309.309 2.840 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccs1 ZINC000116361245 426187341 /nfs/dbraw/zinc/18/73/41/426187341.db2.gz WZMPXIGVOKOYKF-GZMMTYOYSA-N -1 3 315.366 2.861 20 0 DFADHM O=C([O-])CCCN1CCN(Cc2cccc3ccccc32)CC1 ZINC000116348818 426187780 /nfs/dbraw/zinc/18/77/80/426187780.db2.gz DBROINOATKDWRQ-UHFFFAOYSA-N -1 3 312.413 2.822 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)c2nccs2)c1 ZINC000116376845 426187887 /nfs/dbraw/zinc/18/78/87/426187887.db2.gz ZQSYPNHFWNXEEJ-UHFFFAOYSA-N -1 3 314.407 2.804 20 0 DFADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1nnc(-c2ccco2)[n-]1 ZINC000117785731 426222991 /nfs/dbraw/zinc/22/29/91/426222991.db2.gz NYEQZHLBSLRWON-NSHDSACASA-N -1 3 324.340 2.960 20 0 DFADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1nc(-c2ccco2)n[n-]1 ZINC000117785731 426222993 /nfs/dbraw/zinc/22/29/93/426222993.db2.gz NYEQZHLBSLRWON-NSHDSACASA-N -1 3 324.340 2.960 20 0 DFADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1n[n-]c(-c2ccco2)n1 ZINC000117785731 426222996 /nfs/dbraw/zinc/22/29/96/426222996.db2.gz NYEQZHLBSLRWON-NSHDSACASA-N -1 3 324.340 2.960 20 0 DFADHM C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000117785716 426223587 /nfs/dbraw/zinc/22/35/87/426223587.db2.gz FZXNJDFKUXXNBE-ZANVPECISA-N -1 3 310.313 2.568 20 0 DFADHM C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000117785716 426223590 /nfs/dbraw/zinc/22/35/90/426223590.db2.gz FZXNJDFKUXXNBE-ZANVPECISA-N -1 3 310.313 2.568 20 0 DFADHM C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000117785716 426223592 /nfs/dbraw/zinc/22/35/92/426223592.db2.gz FZXNJDFKUXXNBE-ZANVPECISA-N -1 3 310.313 2.568 20 0 DFADHM COc1cccc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c1[O-] ZINC000118274572 426231053 /nfs/dbraw/zinc/23/10/53/426231053.db2.gz AAWYJLHPADINOF-LRDDRELGSA-N -1 3 321.417 2.972 20 0 DFADHM O=C(Nc1ccc(F)cc1OC(F)F)c1ccc2n[n-]nc2c1 ZINC000172829179 426231137 /nfs/dbraw/zinc/23/11/37/426231137.db2.gz XBXGYRPYOZAUBK-UHFFFAOYSA-N -1 3 322.246 2.951 20 0 DFADHM COc1ccc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)c([O-])c1 ZINC000118269320 426231516 /nfs/dbraw/zinc/23/15/16/426231516.db2.gz HYYNBTLUPZDJSM-WBMJQRKESA-N -1 3 321.417 2.972 20 0 DFADHM COc1cccc(C(=O)NC[C@H](OC)c2ccc(F)cc2)c1[O-] ZINC000084406949 426237643 /nfs/dbraw/zinc/23/76/43/426237643.db2.gz PMEYRWPZJBYVFV-HNNXBMFYSA-N -1 3 319.332 2.657 20 0 DFADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(C)sc2C)s1 ZINC000173638203 426245064 /nfs/dbraw/zinc/24/50/64/426245064.db2.gz KJBHBRDUEOWNOT-UHFFFAOYSA-N -1 3 302.446 2.608 20 0 DFADHM O=S(=O)([N-][C@H]1CCC[C@@H]1F)c1ccccc1C(F)(F)F ZINC000339124028 268759203 /nfs/dbraw/zinc/75/92/03/268759203.db2.gz RIGPOGXEJDHHEE-UWVGGRQHSA-N -1 3 311.300 2.874 20 0 DFADHM CCCCOCC(=O)Nc1cc(Br)ccc1[O-] ZINC000085585721 426253344 /nfs/dbraw/zinc/25/33/44/426253344.db2.gz YOCNGAUCMUNSMB-UHFFFAOYSA-N -1 3 302.168 2.910 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)c1cccs1 ZINC000339169888 268772994 /nfs/dbraw/zinc/77/29/94/268772994.db2.gz JRLLLHFZTDNPKI-LLVKDONJSA-N -1 3 300.380 2.712 20 0 DFADHM CCN(Cc1ccccc1C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119146335 426265607 /nfs/dbraw/zinc/26/56/07/426265607.db2.gz RJLDQFPTBWQTBH-UHFFFAOYSA-N -1 3 324.384 2.645 20 0 DFADHM O=C(CCc1nc(-c2ccco2)no1)Nc1cc(F)ccc1[O-] ZINC000174873955 426266654 /nfs/dbraw/zinc/26/66/54/426266654.db2.gz CJBSTZWTZKFSHC-UHFFFAOYSA-N -1 3 317.276 2.746 20 0 DFADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C=C2CCC2)cc1OC ZINC000087158042 426266994 /nfs/dbraw/zinc/26/69/94/426266994.db2.gz AMVZRVSCLYOZFV-UHFFFAOYSA-N -1 3 324.402 2.506 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)c([O-])c1 ZINC000150928154 426268357 /nfs/dbraw/zinc/26/83/57/426268357.db2.gz VZANKUYWYCKQBY-AWEZNQCLSA-N -1 3 313.401 2.529 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1C(F)(F)F ZINC000171806488 426212555 /nfs/dbraw/zinc/21/25/55/426212555.db2.gz HJLPDJMYCBAIMY-LLVKDONJSA-N -1 3 323.336 2.935 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2noc(C(C)C)n2)n1 ZINC000119443953 426288968 /nfs/dbraw/zinc/28/89/68/426288968.db2.gz CFXILXDNFJLDLK-GFCCVEGCSA-N -1 3 317.393 2.588 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc3c(c2)CCC3)n[n-]1 ZINC000119587772 426299924 /nfs/dbraw/zinc/29/99/24/426299924.db2.gz FDGNLXVJPJARQE-UHFFFAOYSA-N -1 3 307.357 2.551 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc3c(c2)CCC3)[n-]n1 ZINC000119587772 426299927 /nfs/dbraw/zinc/29/99/27/426299927.db2.gz FDGNLXVJPJARQE-UHFFFAOYSA-N -1 3 307.357 2.551 20 0 DFADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CCCS1 ZINC000151580352 426302432 /nfs/dbraw/zinc/30/24/32/426302432.db2.gz DKQDPMUQSZDSEN-NSHDSACASA-N -1 3 316.220 2.667 20 0 DFADHM COc1ccc(C(=O)N(C)[C@@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1 ZINC000175451458 426306384 /nfs/dbraw/zinc/30/63/84/426306384.db2.gz ZRTIUSPGWNPLTD-RHSMWYFYSA-N -1 3 307.390 2.676 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc3c(c2)C(=O)CCC3)on1 ZINC000175512651 426310311 /nfs/dbraw/zinc/31/03/11/426310311.db2.gz GKBKGMCNGMRCBC-LLVKDONJSA-N -1 3 313.357 2.941 20 0 DFADHM CC(C)CC1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CCC1 ZINC000120637985 426313161 /nfs/dbraw/zinc/31/31/61/426313161.db2.gz KTQVYBCAYOBVIN-UHFFFAOYSA-N -1 3 313.405 2.945 20 0 DFADHM CC(C)CC1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CCC1 ZINC000120637985 426313164 /nfs/dbraw/zinc/31/31/64/426313164.db2.gz KTQVYBCAYOBVIN-UHFFFAOYSA-N -1 3 313.405 2.945 20 0 DFADHM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000151802666 426313380 /nfs/dbraw/zinc/31/33/80/426313380.db2.gz UYULFDDYXFITAZ-QMMMGPOBSA-N -1 3 311.794 2.870 20 0 DFADHM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000151802666 426313384 /nfs/dbraw/zinc/31/33/84/426313384.db2.gz UYULFDDYXFITAZ-QMMMGPOBSA-N -1 3 311.794 2.870 20 0 DFADHM Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1F ZINC000090371078 426326570 /nfs/dbraw/zinc/32/65/70/426326570.db2.gz SXKVOXRHLZVYCF-UHFFFAOYSA-N -1 3 301.243 2.848 20 0 DFADHM Cc1cscc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000175884359 426336783 /nfs/dbraw/zinc/33/67/83/426336783.db2.gz DOVDPERQRVEJPC-UHFFFAOYSA-N -1 3 310.400 2.680 20 0 DFADHM O=C(CCCOc1ccc(F)cc1F)[N-]OCc1cccnc1 ZINC000152299983 426337972 /nfs/dbraw/zinc/33/79/72/426337972.db2.gz MSIFLBXRFZXMMC-UHFFFAOYSA-N -1 3 322.311 2.767 20 0 DFADHM CSc1ccsc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119290692 426275695 /nfs/dbraw/zinc/27/56/95/426275695.db2.gz FKKYOBVKDQLWRY-UHFFFAOYSA-N -1 3 319.415 2.846 20 0 DFADHM CSc1ccsc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119290692 426275697 /nfs/dbraw/zinc/27/56/97/426275697.db2.gz FKKYOBVKDQLWRY-UHFFFAOYSA-N -1 3 319.415 2.846 20 0 DFADHM CCc1noc(CC)c1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000088388641 426276801 /nfs/dbraw/zinc/27/68/01/426276801.db2.gz NEKZUYIFPGWFQK-UHFFFAOYSA-N -1 3 306.337 2.503 20 0 DFADHM Cc1ccc(NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)c([O-])c1 ZINC000175059727 426276946 /nfs/dbraw/zinc/27/69/46/426276946.db2.gz QBOKWEHUOQTYCQ-GFCCVEGCSA-N -1 3 323.356 2.554 20 0 DFADHM Cn1ccc2c1cccc2C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119296691 426277218 /nfs/dbraw/zinc/27/72/18/426277218.db2.gz UEUDNSDARHTGAU-UHFFFAOYSA-N -1 3 320.356 2.554 20 0 DFADHM Cn1ccc2c1cccc2C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119296691 426277222 /nfs/dbraw/zinc/27/72/22/426277222.db2.gz UEUDNSDARHTGAU-UHFFFAOYSA-N -1 3 320.356 2.554 20 0 DFADHM Cc1nc(C2(NC(=O)c3cc(C)ccc3[O-])CCCC2)no1 ZINC000121410967 426340874 /nfs/dbraw/zinc/34/08/74/426340874.db2.gz UMGVJBIVGMJRBO-UHFFFAOYSA-N -1 3 301.346 2.591 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119378670 426284144 /nfs/dbraw/zinc/28/41/44/426284144.db2.gz VQUIOLCHTOMOEI-BXUZGUMPSA-N -1 3 316.405 2.715 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000122821157 426396004 /nfs/dbraw/zinc/39/60/04/426396004.db2.gz OCMIFRKHDYPVGD-WFASDCNBSA-N -1 3 302.374 2.755 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(C)(C)C)cn1C ZINC000339757218 268882299 /nfs/dbraw/zinc/88/22/99/268882299.db2.gz DGHVSOUYNIBRBR-CHWSQXEVSA-N -1 3 313.467 2.612 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)c([O-])c1 ZINC000091681747 426342778 /nfs/dbraw/zinc/34/27/78/426342778.db2.gz ZEZFRDCFFGRCES-NYHFZMIOSA-N -1 3 317.410 2.550 20 0 DFADHM COc1ccc(COCCNC(=O)c2cccc(C)c2[O-])cc1 ZINC000091727181 426342815 /nfs/dbraw/zinc/34/28/15/426342815.db2.gz BVICTDIHONNICB-UHFFFAOYSA-N -1 3 315.369 2.656 20 0 DFADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccccc1F)CO2 ZINC000152572041 426346700 /nfs/dbraw/zinc/34/67/00/426346700.db2.gz UXEDYCMAMCPCDG-CYBMUJFWSA-N -1 3 307.346 2.546 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H](C)CCc2ccc(O)cc2)c1 ZINC000092762977 426352629 /nfs/dbraw/zinc/35/26/29/426352629.db2.gz AQVWCPHXEJOLEF-GFCCVEGCSA-N -1 3 315.369 2.858 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000121919316 426355364 /nfs/dbraw/zinc/35/53/64/426355364.db2.gz GLRZWCOREUUGGI-DZGCQCFKSA-N -1 3 305.374 2.969 20 0 DFADHM Cc1nc(CCCC(=O)Nc2nnc(-c3ccco3)[n-]2)cs1 ZINC000176179572 426357639 /nfs/dbraw/zinc/35/76/39/426357639.db2.gz ZZTCODWTOHONBI-UHFFFAOYSA-N -1 3 317.374 2.791 20 0 DFADHM Cc1nc(CCCC(=O)Nc2nc(-c3ccco3)n[n-]2)cs1 ZINC000176179572 426357641 /nfs/dbraw/zinc/35/76/41/426357641.db2.gz 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/nfs/dbraw/zinc/38/88/42/426388842.db2.gz ISZGKEGSDJWARF-QMMMGPOBSA-N -1 3 314.769 2.897 20 0 DFADHM C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])CCN1C ZINC000153819200 426407360 /nfs/dbraw/zinc/40/73/60/426407360.db2.gz KEISBENFSPIRQW-MWLCHTKSSA-N -1 3 314.788 2.739 20 0 DFADHM O=C(Nc1ccccc1[O-])c1cccc(CN2CCCC2=O)c1 ZINC000153921950 426413511 /nfs/dbraw/zinc/41/35/11/426413511.db2.gz YIOWFABFAAKJJB-UHFFFAOYSA-N -1 3 310.353 2.767 20 0 DFADHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(F)cc1[O-] ZINC000123171043 426417269 /nfs/dbraw/zinc/41/72/69/426417269.db2.gz IWXBRJUURAGEME-CQSZACIVSA-N -1 3 318.348 2.691 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)CCC3CC3)c[n-]c12 ZINC000154002481 426418419 /nfs/dbraw/zinc/41/84/19/426418419.db2.gz JGXHSAQAQQQRTO-UHFFFAOYSA-N -1 3 302.349 2.848 20 0 DFADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1ccco1 ZINC000176958479 426428855 /nfs/dbraw/zinc/42/88/55/426428855.db2.gz FAGKGTQFWFSSRJ-UHFFFAOYSA-N -1 3 302.721 2.825 20 0 DFADHM CCNc1nc(C(=O)[N-]c2nnc(CC(C)C)s2)cs1 ZINC000177014575 426433769 /nfs/dbraw/zinc/43/37/69/426433769.db2.gz ZYUJWEJFHLOHKF-UHFFFAOYSA-N -1 3 311.436 2.877 20 0 DFADHM Cc1c([O-])ccc2c(CN(C)CCc3ccccn3)cc(=O)oc12 ZINC000123580477 426441282 /nfs/dbraw/zinc/44/12/82/426441282.db2.gz BYTLEURRDXPRFG-UHFFFAOYSA-N -1 3 324.380 2.877 20 0 DFADHM COc1ccnc(Sc2nnc(-c3ccccc3F)[n-]2)n1 ZINC000097075836 426445147 /nfs/dbraw/zinc/44/51/47/426445147.db2.gz JOKKZOUPPDDYML-UHFFFAOYSA-N -1 3 303.322 2.561 20 0 DFADHM COc1ccnc(Sc2nc(-c3ccccc3F)n[n-]2)n1 ZINC000097075836 426445152 /nfs/dbraw/zinc/44/51/52/426445152.db2.gz JOKKZOUPPDDYML-UHFFFAOYSA-N -1 3 303.322 2.561 20 0 DFADHM COc1ccnc(Sc2n[n-]c(-c3ccccc3F)n2)n1 ZINC000097075836 426445155 /nfs/dbraw/zinc/44/51/55/426445155.db2.gz JOKKZOUPPDDYML-UHFFFAOYSA-N -1 3 303.322 2.561 20 0 DFADHM CCc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1F ZINC000340764723 269009069 /nfs/dbraw/zinc/00/90/69/269009069.db2.gz ACERXSCBGNUAIS-SNVBAGLBSA-N -1 3 304.243 2.765 20 0 DFADHM COCc1cnc([N-]C(=O)c2c(F)ccc(F)c2OC)s1 ZINC000340830198 269018620 /nfs/dbraw/zinc/01/86/20/269018620.db2.gz HLACSOFWGBDQFN-UHFFFAOYSA-N -1 3 314.313 2.829 20 0 DFADHM COc1c(Cl)cccc1[N-]S(=O)(=O)N1CCC(C)CC1 ZINC000340830874 269018648 /nfs/dbraw/zinc/01/86/48/269018648.db2.gz SKAGLUBBFHOVCF-UHFFFAOYSA-N -1 3 318.826 2.737 20 0 DFADHM COc1ccc([O-])cc1C(=O)Nc1ccc(F)c(C(C)=O)c1 ZINC000341074923 269039222 /nfs/dbraw/zinc/03/92/22/269039222.db2.gz RMDLWEUZCGAMHB-UHFFFAOYSA-N -1 3 303.289 2.995 20 0 DFADHM CC[C@@H]1CCCC[C@H]1c1noc(-c2cc(=O)[n-]c(N(C)C)n2)n1 ZINC000341171571 269052327 /nfs/dbraw/zinc/05/23/27/269052327.db2.gz RNSVNTHJOUPXEU-GHMZBOCLSA-N -1 3 317.393 2.982 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000097106609 426449245 /nfs/dbraw/zinc/44/92/45/426449245.db2.gz YCSRAYJXSUTKQJ-INIZCTEOSA-N -1 3 307.353 2.834 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCN1C1CCOCC1 ZINC000154854539 426457221 /nfs/dbraw/zinc/45/72/21/426457221.db2.gz GGGDJFCHJWOKMW-AWEZNQCLSA-N -1 3 324.808 2.628 20 0 DFADHM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000154954442 426459591 /nfs/dbraw/zinc/45/95/91/426459591.db2.gz WZYJEHRQHPEIGJ-UONOGXRCSA-N -1 3 318.417 2.549 20 0 DFADHM O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1ncccc1[O-] ZINC000123969091 426463481 /nfs/dbraw/zinc/46/34/81/426463481.db2.gz DNALAAJMGOJZSA-UHFFFAOYSA-N -1 3 306.268 2.667 20 0 DFADHM Cc1cnc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)s1 ZINC000155136941 426464772 /nfs/dbraw/zinc/46/47/72/426464772.db2.gz FCFKSQHLEWZYQF-UHFFFAOYSA-N -1 3 317.345 2.993 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2N2CCOC2=O)c1 ZINC000102257032 426488393 /nfs/dbraw/zinc/48/83/93/426488393.db2.gz HENPGUXANFUFSJ-UHFFFAOYSA-N -1 3 312.325 2.910 20 0 DFADHM COc1cccc(C(=O)N2CCC(C3CCOCC3)CC2)c1[O-] ZINC000124271805 426478029 /nfs/dbraw/zinc/47/80/29/426478029.db2.gz ASVNSPPTTVTZEV-UHFFFAOYSA-N -1 3 319.401 2.680 20 0 DFADHM CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])cc1F ZINC000124426039 426483948 /nfs/dbraw/zinc/48/39/48/426483948.db2.gz CDWVFFYGGMGZNT-NSHDSACASA-N -1 3 312.341 2.773 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H](c2nnc3ccccn32)C(C)C)c1 ZINC000101829607 426486711 /nfs/dbraw/zinc/48/67/11/426486711.db2.gz PFHFHVYTNRLBTQ-MRXNPFEDSA-N -1 3 324.384 2.870 20 0 DFADHM Cc1ccc([O-])c(C(=O)N(C)CC(F)(F)Br)c1 ZINC000288092924 426506732 /nfs/dbraw/zinc/50/67/32/426506732.db2.gz GJTTUSAAIRMFEX-UHFFFAOYSA-N -1 3 308.122 2.760 20 0 DFADHM CC(C)(C)[S@](=O)CCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000186331527 426507216 /nfs/dbraw/zinc/50/72/16/426507216.db2.gz IARBGQZZBOXYON-JOCHJYFZSA-N -1 3 323.458 2.548 20 0 DFADHM Cc1noc(CCC(=O)N2CC[C@H](C)c3cccc([O-])c32)n1 ZINC000186336559 426509404 /nfs/dbraw/zinc/50/94/04/426509404.db2.gz VAGCIIUAQAFUTE-JTQLQIEISA-N -1 3 301.346 2.557 20 0 DFADHM Cc1cc(C(=O)N2CCC(C(=O)OC(C)(C)C)CC2)ccc1[O-] ZINC000272383518 426510691 /nfs/dbraw/zinc/51/06/91/426510691.db2.gz FXIINYADJDPMNX-UHFFFAOYSA-N -1 3 319.401 2.895 20 0 DFADHM COCC[C@@H](NC(=O)c1ccc(OC)cc1[O-])c1ccc(C)o1 ZINC000272386894 426512917 /nfs/dbraw/zinc/51/29/17/426512917.db2.gz ZAQRZSOGQOWRHA-CQSZACIVSA-N -1 3 319.357 2.810 20 0 DFADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000186370577 426514770 /nfs/dbraw/zinc/51/47/70/426514770.db2.gz ZSSIWZAQKAQDNV-QNSHHTMESA-N -1 3 323.805 2.841 20 0 DFADHM COc1ccc([O-])c(-c2nc([C@H](C)C(=O)OC(C)(C)C)no2)c1 ZINC000280192684 426516774 /nfs/dbraw/zinc/51/67/74/426516774.db2.gz AWFHMKDLFWAKGX-VIFPVBQESA-N -1 3 320.345 2.896 20 0 DFADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)oc1C)c1ccco1 ZINC000272409552 426519508 /nfs/dbraw/zinc/51/95/08/426519508.db2.gz LFLDSGOUOVJEDW-GFCCVEGCSA-N -1 3 313.375 2.546 20 0 DFADHM C[S@](=O)C[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000186405897 426521167 /nfs/dbraw/zinc/52/11/67/426521167.db2.gz WCGWNLXMQORTER-KKSFZXQISA-N -1 3 307.390 2.741 20 0 DFADHM COc1cccc2c(C(=O)Nc3cn(C)nc3C(C)C)[n-]nc21 ZINC000288771261 426530129 /nfs/dbraw/zinc/53/01/29/426530129.db2.gz UVIUVTMIBXOBOB-UHFFFAOYSA-N -1 3 313.361 2.681 20 0 DFADHM COc1cccc2c(C(=O)Nc3cn(C)nc3C(C)C)n[n-]c21 ZINC000288771261 426530134 /nfs/dbraw/zinc/53/01/34/426530134.db2.gz UVIUVTMIBXOBOB-UHFFFAOYSA-N -1 3 313.361 2.681 20 0 DFADHM COC(=O)CCCO[N-]C(=O)Nc1ccc2nc(C)sc2c1 ZINC000288810847 426535053 /nfs/dbraw/zinc/53/50/53/426535053.db2.gz MLLIHBOCVHEKGQ-UHFFFAOYSA-N -1 3 323.374 2.611 20 0 DFADHM COCCOc1ccc(CNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000272474798 426536133 /nfs/dbraw/zinc/53/61/33/426536133.db2.gz QCKZAWLYEDFXHX-UHFFFAOYSA-N -1 3 315.369 2.656 20 0 DFADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCOC2)c1Cl ZINC000264368078 426543576 /nfs/dbraw/zinc/54/35/76/426543576.db2.gz IMTAMSZODAQJFQ-SECBINFHSA-N -1 3 324.229 2.759 20 0 DFADHM CC(C)Oc1ccc([C@H](O)C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000177952530 426544771 /nfs/dbraw/zinc/54/47/71/426544771.db2.gz HSBVYIJZNDKGCL-LLVKDONJSA-N -1 3 323.286 2.524 20 0 DFADHM COc1cccc(C(=O)N(C)Cc2ccccc2N(C)C)c1[O-] ZINC000288906549 426548489 /nfs/dbraw/zinc/54/84/89/426548489.db2.gz KCEAZFJKCKBTSY-UHFFFAOYSA-N -1 3 314.385 2.739 20 0 DFADHM COC(=O)CCCO[N-]C(=O)Nc1c(C)cccc1Cl ZINC000288907485 426549010 /nfs/dbraw/zinc/54/90/10/426549010.db2.gz SQPXOTZWYSQSQA-UHFFFAOYSA-N -1 3 300.742 2.655 20 0 DFADHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000186161186 426489684 /nfs/dbraw/zinc/48/96/84/426489684.db2.gz YFAOSWSRXGHXNG-NWDGAFQWSA-N -1 3 318.377 2.989 20 0 DFADHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000186161186 426489686 /nfs/dbraw/zinc/48/96/86/426489686.db2.gz YFAOSWSRXGHXNG-NWDGAFQWSA-N -1 3 318.377 2.989 20 0 DFADHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000186161186 426489688 /nfs/dbraw/zinc/48/96/88/426489688.db2.gz YFAOSWSRXGHXNG-NWDGAFQWSA-N -1 3 318.377 2.989 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCN(C)CC23CCCCC3)c1 ZINC000177514294 426491265 /nfs/dbraw/zinc/49/12/65/426491265.db2.gz GVRHYVKSLQYTGY-UHFFFAOYSA-N -1 3 302.418 2.791 20 0 DFADHM [O-]c1cc(F)cc(CN2CC[C@H](CNc3ccccn3)C2)c1 ZINC000186207224 426494247 /nfs/dbraw/zinc/49/42/47/426494247.db2.gz 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DFADHM O=C(NCCC[C@H]1CCCCO1)NCc1ccc([O-])c(F)c1 ZINC000186604590 426562702 /nfs/dbraw/zinc/56/27/02/426562702.db2.gz LXNXSRNJIDZOTQ-CYBMUJFWSA-N -1 3 310.369 2.680 20 0 DFADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nc2ccccc2s1 ZINC000229207853 426636518 /nfs/dbraw/zinc/63/65/18/426636518.db2.gz XSMCTAKRUHQLLK-HFAKWTLXSA-N -1 3 302.399 2.981 20 0 DFADHM C[C@@H](C(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccc(Cl)s1 ZINC000273300513 426637802 /nfs/dbraw/zinc/63/78/02/426637802.db2.gz WDYFXGMFEIWIEZ-MRVPVSSYSA-N -1 3 323.805 2.586 20 0 DFADHM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000280725591 426641908 /nfs/dbraw/zinc/64/19/08/426641908.db2.gz MQTCVROIFMNXIA-ZJUUUORDSA-N -1 3 316.336 2.555 20 0 DFADHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000280725588 426642768 /nfs/dbraw/zinc/64/27/68/426642768.db2.gz MQTCVROIFMNXIA-VHSXEESVSA-N -1 3 316.336 2.555 20 0 DFADHM COc1ccc(/C=C/C(=O)[N-]OCc2ccc(F)cc2)cc1O ZINC000187370836 426655985 /nfs/dbraw/zinc/65/59/85/426655985.db2.gz 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Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](O)C2)sc1Cl ZINC000188048047 426718050 /nfs/dbraw/zinc/71/80/50/426718050.db2.gz JALWPFDNOKKKDR-VHSXEESVSA-N -1 3 323.867 2.539 20 0 DFADHM COC(=O)[C@H](NC(=O)c1cccc([O-])c1)c1cc(C)cc(C)c1 ZINC000187779052 426693154 /nfs/dbraw/zinc/69/31/54/426693154.db2.gz TVPPCLVFMVGZFQ-MRXNPFEDSA-N -1 3 313.353 2.653 20 0 DFADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)s1 ZINC000266084319 426721795 /nfs/dbraw/zinc/72/17/95/426721795.db2.gz CKGACJQCFIHCHR-SVRRBLITSA-N -1 3 324.265 2.753 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCCc2nccs2)c1 ZINC000290113842 426695802 /nfs/dbraw/zinc/69/58/02/426695802.db2.gz KCAZSWIWXKGLBA-UHFFFAOYSA-N -1 3 314.407 2.502 20 0 DFADHM O=S(=O)([N-][C@H]1CCOC1)c1cc2cc(Cl)ccc2s1 ZINC000178818742 426701685 /nfs/dbraw/zinc/70/16/85/426701685.db2.gz KKHONIQLPQEDRH-JTQLQIEISA-N -1 3 317.819 2.622 20 0 DFADHM O=C([N-][C@@H](CCO)c1ccco1)C(F)(F)c1ccccc1F ZINC000274435911 426768123 /nfs/dbraw/zinc/76/81/23/426768123.db2.gz SULXZIHJSOATIB-LBPRGKRZSA-N 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/nfs/dbraw/zinc/77/84/61/426778461.db2.gz HJMRZPSAVPOOBR-LSDHHAIUSA-N -1 3 305.399 2.969 20 0 DFADHM CC[C@@H](C)[C@@H](C)N(C(=O)CNC(=O)c1cccc([O-])c1)C1CC1 ZINC000274481665 426778810 /nfs/dbraw/zinc/77/88/10/426778810.db2.gz MVOMXDJEILBWHH-CHWSQXEVSA-N -1 3 318.417 2.548 20 0 DFADHM O=S(=O)([N-][C@H]1CCC[C@@H]1Cc1ccccc1)c1ccco1 ZINC000188701692 426779772 /nfs/dbraw/zinc/77/97/72/426779772.db2.gz HJMRZPSAVPOOBR-CABCVRRESA-N -1 3 305.399 2.969 20 0 DFADHM CCS(=O)(=O)c1ccc(CNCc2cc([O-])cc(F)c2)cc1 ZINC000274491455 426781353 /nfs/dbraw/zinc/78/13/53/426781353.db2.gz ZYEFEOATPKTJPI-UHFFFAOYSA-N -1 3 323.389 2.615 20 0 DFADHM CO[C@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)[C@H](C)C1 ZINC000281885475 426784441 /nfs/dbraw/zinc/78/44/41/426784441.db2.gz XRXPHROSUBXYBB-DOMZBBRYSA-N -1 3 303.402 2.911 20 0 DFADHM Cc1ccc(OCCN(C)C(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000179399514 426787767 /nfs/dbraw/zinc/78/77/67/426787767.db2.gz IWAKIMDUIOOVKT-VMPITWQZSA-N -1 3 312.369 2.646 20 0 DFADHM O=C([N-]c1cc(Br)c(F)cc1F)c1ccon1 ZINC000188151028 426726514 /nfs/dbraw/zinc/72/65/14/426726514.db2.gz MYWJOTXSRLOIMV-UHFFFAOYSA-N -1 3 303.062 2.968 20 0 DFADHM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)n[nH]1 ZINC000290275322 426730488 /nfs/dbraw/zinc/73/04/88/426730488.db2.gz YLVRTXJXRQBYAJ-SFYZADRCSA-N -1 3 324.331 2.793 20 0 DFADHM C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000290282699 426732697 /nfs/dbraw/zinc/73/26/97/426732697.db2.gz DFPMGSVTXIGJPE-SECBINFHSA-N -1 3 313.781 2.848 20 0 DFADHM CCOCCO[C@@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274350015 426751636 /nfs/dbraw/zinc/75/16/36/426751636.db2.gz HLCBFLXDFRZAOH-OLZOCXBDSA-N -1 3 307.390 2.674 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)sc1Cl ZINC000188451704 426754344 /nfs/dbraw/zinc/75/43/44/426754344.db2.gz YTJZRRUVEHAAAO-NXEZZACHSA-N -1 3 323.867 2.539 20 0 DFADHM COCCCn1ccc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000290412421 426760524 /nfs/dbraw/zinc/76/05/24/426760524.db2.gz 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CCOCCO[C@@H](C)C(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000274709629 426821655 /nfs/dbraw/zinc/82/16/55/426821655.db2.gz SSZRDQUHMZFMEY-QMMMGPOBSA-N -1 3 324.299 2.636 20 0 DFADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccc(C(N)=O)c(Cl)c1 ZINC000290709084 426822866 /nfs/dbraw/zinc/82/28/66/426822866.db2.gz SXXMCPVEHLOTEH-UHFFFAOYSA-N -1 3 318.826 2.617 20 0 DFADHM CC(C)c1ccc(C(=O)NCc2ncnn2C(C)(C)C)c([O-])c1 ZINC000282092746 426828141 /nfs/dbraw/zinc/82/81/41/426828141.db2.gz JLBBOVVIMJUGAQ-UHFFFAOYSA-N -1 3 316.405 2.792 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000282110323 426831906 /nfs/dbraw/zinc/83/19/06/426831906.db2.gz OKVYYRKTCORENO-BMFZPTHFSA-N -1 3 303.402 2.856 20 0 DFADHM CSCc1cccc(CNC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000189295916 426838167 /nfs/dbraw/zinc/83/81/67/426838167.db2.gz SITZFEHEMSVTNX-UHFFFAOYSA-N -1 3 312.398 2.751 20 0 DFADHM Cc1ccc(C2=NO[C@@H](CNC(=O)c3ccc([O-])c(C)c3)C2)cc1 ZINC000282140106 426838270 /nfs/dbraw/zinc/83/82/70/426838270.db2.gz 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COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCCC(C)C ZINC000189672424 426919563 /nfs/dbraw/zinc/91/95/63/426919563.db2.gz SUVAGAQVYAZQHG-UHFFFAOYSA-N -1 3 319.448 2.558 20 0 DFADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000189673944 426920669 /nfs/dbraw/zinc/92/06/69/426920669.db2.gz XBRSUJATNQUUDW-SNVBAGLBSA-N -1 3 319.448 2.700 20 0 DFADHM CCCCOCCC[N-]S(=O)(=O)c1cccc(C)c1F ZINC000181175114 426921878 /nfs/dbraw/zinc/92/18/78/426921878.db2.gz RHPJQUQZGJISIQ-UHFFFAOYSA-N -1 3 303.399 2.619 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000313403745 426922902 /nfs/dbraw/zinc/92/29/02/426922902.db2.gz UOSANRUBTWQQOQ-CQSZACIVSA-N -1 3 318.200 2.917 20 0 DFADHM [O-]c1cc(F)cc(CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000282260656 426864915 /nfs/dbraw/zinc/86/49/15/426864915.db2.gz GZNVSWYYARAXCB-SFHVURJKSA-N -1 3 301.361 2.845 20 0 DFADHM CCCOc1ccc(NC(=O)[N-]OC[C@H]2CCOC2)c(C)c1 ZINC000189516780 426874977 /nfs/dbraw/zinc/87/49/77/426874977.db2.gz BOWCDMOCDSMREC-ZDUSSCGKSA-N -1 3 308.378 2.873 20 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-1 3 300.387 2.956 20 0 DFADHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000305203536 426895041 /nfs/dbraw/zinc/89/50/41/426895041.db2.gz LZQHNQGDYNYHPT-ZANVPECISA-N -1 3 323.817 2.555 20 0 DFADHM CCc1cc(C(=O)NCc2ccc(OC)c(OC)c2)ccc1[O-] ZINC000291493648 426896330 /nfs/dbraw/zinc/89/63/30/426896330.db2.gz TYSXGNJJGHZHHI-UHFFFAOYSA-N -1 3 315.369 2.902 20 0 DFADHM COc1cccc(C(=O)N2CCCCC[C@@H]2c2ncon2)c1[O-] ZINC000189583532 426897131 /nfs/dbraw/zinc/89/71/31/426897131.db2.gz WPTAYBLRYHDZTM-GFCCVEGCSA-N -1 3 317.345 2.541 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)Nc1nc(C(F)(F)F)c[nH]1 ZINC000337644854 426897183 /nfs/dbraw/zinc/89/71/83/426897183.db2.gz HGHGMKASGOVFAG-UHFFFAOYSA-N -1 3 319.670 2.969 20 0 DFADHM Cc1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1OC(F)F ZINC000189604241 426901062 /nfs/dbraw/zinc/90/10/62/426901062.db2.gz UMZYRMRQSDSELP-JTQLQIEISA-N -1 3 316.304 2.686 20 0 DFADHM CC(C)Oc1ccccc1CN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000295317770 426904410 /nfs/dbraw/zinc/90/44/10/426904410.db2.gz 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/nfs/dbraw/zinc/95/40/03/426954003.db2.gz JMRILRMDYSZLNI-ZDUSSCGKSA-N -1 3 301.386 2.707 20 0 DFADHM COc1ccccc1CN(CCCCC(=O)[O-])C[C@H]1CCCO1 ZINC000181546550 426961938 /nfs/dbraw/zinc/96/19/38/426961938.db2.gz IHDDPKRQLODRQN-MRXNPFEDSA-N -1 3 321.417 2.931 20 0 DFADHM O=C([O-])CCCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000181539464 426962438 /nfs/dbraw/zinc/96/24/38/426962438.db2.gz BXOWHSTZOBQVPR-CQSZACIVSA-N -1 3 305.374 2.850 20 0 DFADHM Cc1c(C(=O)[N-]c2cccc3nonc32)oc2c1C(=O)CCC2 ZINC000283150874 426963807 /nfs/dbraw/zinc/96/38/07/426963807.db2.gz VCBFLOMVHMDIQN-UHFFFAOYSA-N -1 3 311.297 2.896 20 0 DFADHM COc1cccc(C(=O)NCC[C@@H]2CNc3ccccc32)c1[O-] ZINC000320272545 426967514 /nfs/dbraw/zinc/96/75/14/426967514.db2.gz FICJAWZVVHLRSN-GFCCVEGCSA-N -1 3 312.369 2.730 20 0 DFADHM COc1cc(C(=O)N2CCS[C@H]3CCCC[C@H]32)ccc1[O-] ZINC000276024117 426967832 /nfs/dbraw/zinc/96/78/32/426967832.db2.gz SWFWOCPKHDKRLY-DOMZBBRYSA-N -1 3 307.415 2.901 20 0 DFADHM CCN(C(=O)CN1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC000321485477 426969308 /nfs/dbraw/zinc/96/93/08/426969308.db2.gz RUEMLQCYURMCJG-HNNXBMFYSA-N -1 3 318.417 2.759 20 0 DFADHM O=C(CSC1CC1)Nc1cc(Br)ccc1[O-] ZINC000295463281 426969450 /nfs/dbraw/zinc/96/94/50/426969450.db2.gz YRFBYOLBUMTCIW-UHFFFAOYSA-N -1 3 302.193 2.989 20 0 DFADHM Cc1nn(-c2ccccc2)cc1CNC(=O)c1ccc(O)cc1[O-] ZINC000181698063 426977477 /nfs/dbraw/zinc/97/74/77/426977477.db2.gz IUHNYZSYLRSIIG-UHFFFAOYSA-N -1 3 323.352 2.522 20 0 DFADHM Cc1cc(=O)c(C(=O)Nc2cc(F)ccc2[O-])cn1C1CC1 ZINC000283229140 426978323 /nfs/dbraw/zinc/97/83/23/426978323.db2.gz BGXKYIPEJIKHKO-UHFFFAOYSA-N -1 3 302.305 2.589 20 0 DFADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000295506464 426985728 /nfs/dbraw/zinc/98/57/28/426985728.db2.gz RDJBKJPGUCHDIS-VXGBXAGGSA-N -1 3 301.394 2.965 20 0 DFADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000295506464 426985732 /nfs/dbraw/zinc/98/57/32/426985732.db2.gz RDJBKJPGUCHDIS-VXGBXAGGSA-N -1 3 301.394 2.965 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000181846282 426986316 /nfs/dbraw/zinc/98/63/16/426986316.db2.gz FJNUPSJSCIBRQE-INIZCTEOSA-N -1 3 301.317 2.745 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N(C)[C@H]3CC[C@H](O)CC3)c[n-]c12 ZINC000276108396 426986344 /nfs/dbraw/zinc/98/63/44/426986344.db2.gz ZHBFMVNSYWFDRZ-JOCQHMNTSA-N -1 3 314.385 2.624 20 0 DFADHM Cc1cn(-c2c(F)cccc2F)nc1C(=O)[N-]c1nncs1 ZINC000189954977 426987785 /nfs/dbraw/zinc/98/77/85/426987785.db2.gz FRACCOIJCNJALH-UHFFFAOYSA-N -1 3 321.312 2.563 20 0 DFADHM O=C(C=Cc1cncc([O-])c1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000181868912 426989616 /nfs/dbraw/zinc/98/96/16/426989616.db2.gz GHRKIGREQRWJQP-LZCJLJQNSA-N -1 3 306.325 2.829 20 0 DFADHM CCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H]1CCCC[C@@H]1C ZINC000181915709 426991494 /nfs/dbraw/zinc/99/14/94/426991494.db2.gz JZKLJCVLLDKHTD-SMDDNHRTSA-N -1 3 316.405 2.715 20 0 DFADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cccc(C)c1F)C(C)C ZINC000181344350 426937870 /nfs/dbraw/zinc/93/78/70/426937870.db2.gz 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Cc1ccc(C(N)=O)cc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185678538 427688733 /nfs/dbraw/zinc/68/87/33/427688733.db2.gz JDUHAKQWKKAAIZ-UHFFFAOYSA-N -1 3 324.380 2.931 20 0 DFADHM CC(C)(C)[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)CCO1 ZINC000279510126 427689240 /nfs/dbraw/zinc/68/92/40/427689240.db2.gz ZGUKKLWCUGEHJA-OAHLLOKOSA-N -1 3 314.385 2.828 20 0 DFADHM COCc1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c1 ZINC000339130554 427691231 /nfs/dbraw/zinc/69/12/31/427691231.db2.gz YWCPYSJKOPJVEO-OLZOCXBDSA-N -1 3 321.801 2.655 20 0 DFADHM Clc1ccc2ncc(C[N-]c3nnc([C@H]4CCCO4)o3)n2c1 ZINC000272289689 427697290 /nfs/dbraw/zinc/69/72/90/427697290.db2.gz VAJGKKYGYPSJFR-LLVKDONJSA-N -1 3 319.752 2.834 20 0 DFADHM CCC1(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)CCOCC1 ZINC000272288541 427697801 /nfs/dbraw/zinc/69/78/01/427697801.db2.gz FAJOREQYJPZMOD-UHFFFAOYSA-N -1 3 304.350 2.518 20 0 DFADHM CCC1(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)CCOCC1 ZINC000272288541 427697807 /nfs/dbraw/zinc/69/78/07/427697807.db2.gz FAJOREQYJPZMOD-UHFFFAOYSA-N -1 3 304.350 2.518 20 0 DFADHM CCC1(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)CCOCC1 ZINC000272288541 427697810 /nfs/dbraw/zinc/69/78/10/427697810.db2.gz FAJOREQYJPZMOD-UHFFFAOYSA-N -1 3 304.350 2.518 20 0 DFADHM Cc1ccc([O-])c(CN(C)[C@H](CO)c2ccc(Cl)cc2)n1 ZINC000295125227 427701633 /nfs/dbraw/zinc/70/16/33/427701633.db2.gz XEJJNRFHOAWODR-OAHLLOKOSA-N -1 3 306.793 2.914 20 0 DFADHM O=S(=O)([N-]C1(c2ccccc2)CCC1)c1cncc(F)c1 ZINC000339162910 427712049 /nfs/dbraw/zinc/71/20/49/427712049.db2.gz CZSSMNMPQJKDJE-UHFFFAOYSA-N -1 3 306.362 2.578 20 0 DFADHM CC1(C)N[C@H](c2ccc([O-])c(F)c2)N(CC2CCCC2)C1=O ZINC000333940500 427713363 /nfs/dbraw/zinc/71/33/63/427713363.db2.gz OBRDKPZDOKHCSO-HNNXBMFYSA-N -1 3 306.381 2.931 20 0 DFADHM Cn1ccnc1-c1nnc([N-]Cc2ncc(C(C)(C)C)s2)o1 ZINC000279632746 427714769 /nfs/dbraw/zinc/71/47/69/427714769.db2.gz UXKKCKLOWPTVOX-UHFFFAOYSA-N -1 3 318.406 2.836 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC3CCC2CC3)c1 ZINC000339171574 427716150 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Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000352869442 428287980 /nfs/dbraw/zinc/28/79/80/428287980.db2.gz LEMFHLHOUWTQSC-UHFFFAOYSA-N -1 3 309.318 2.664 20 0 DFADHM [O-]c1cccc(CN2CCOCC3(CCOCC3)C2)c1Cl ZINC000352877514 428293843 /nfs/dbraw/zinc/29/38/43/428293843.db2.gz QYXWODHENWBVIO-UHFFFAOYSA-N -1 3 311.809 2.675 20 0 DFADHM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000346635210 428249150 /nfs/dbraw/zinc/24/91/50/428249150.db2.gz NQOZULQUXDNBMH-HOCLYGCPSA-N -1 3 323.408 2.864 20 0 DFADHM O=C(CCc1ncccn1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000360332067 428254839 /nfs/dbraw/zinc/25/48/39/428254839.db2.gz HMEARUQMARFCMB-UHFFFAOYSA-N -1 3 311.263 2.772 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(C)c2)cn1 ZINC000414465645 428305807 /nfs/dbraw/zinc/30/58/07/428305807.db2.gz SALOHDPVHUYXTP-UHFFFAOYSA-N -1 3 319.430 2.561 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C2CCCCC2)c1 ZINC000360461245 428307798 /nfs/dbraw/zinc/30/77/98/428307798.db2.gz TXGRRCBEOKDFAR-STQMWFEESA-N 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/nfs/dbraw/zinc/32/74/78/428327478.db2.gz JOLUJKVPYMLHAL-UHFFFAOYSA-N -1 3 314.263 2.519 20 0 DFADHM CC1(C)[C@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@H]2CCCO[C@H]21 ZINC000360522868 428333238 /nfs/dbraw/zinc/33/32/38/428333238.db2.gz LJYHOUDXOYXXOU-KCPJHIHWSA-N -1 3 322.380 2.534 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C ZINC000360540190 428339169 /nfs/dbraw/zinc/33/91/69/428339169.db2.gz LWZBEUUUSDQEFE-LBPRGKRZSA-N -1 3 317.426 2.600 20 0 DFADHM C[C@H]1[C@H](CO)CCCN1Cc1cccc([O-])c1Br ZINC000414560506 428340952 /nfs/dbraw/zinc/34/09/52/428340952.db2.gz AUNNUMNUVDSCOC-JQWIXIFHSA-N -1 3 314.223 2.748 20 0 DFADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]Cc1ccco1 ZINC000342190383 428342075 /nfs/dbraw/zinc/34/20/75/428342075.db2.gz CHTHOEZSOFKNHK-UHFFFAOYSA-N -1 3 315.778 2.561 20 0 DFADHM C[C@]1(c2cccs2)C[C@@H]1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000371037341 428344795 /nfs/dbraw/zinc/34/47/95/428344795.db2.gz RPDIPWVBDQZUMD-BZNIZROVSA-N -1 3 312.398 2.727 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@H](C2CCOCC2)C1 ZINC000378283624 428354797 /nfs/dbraw/zinc/35/47/97/428354797.db2.gz ZVZUCSIZKINGHW-CQSZACIVSA-N -1 3 323.820 2.863 20 0 DFADHM COC(=O)c1coc(C(=O)[N-]c2nc3ccsc3s2)c1 ZINC000352893774 428300530 /nfs/dbraw/zinc/30/05/30/428300530.db2.gz PNYZQLDGFICXIO-UHFFFAOYSA-N -1 3 308.340 2.990 20 0 DFADHM Cc1ccccc1C[C@@H](CO)NCc1c(F)ccc([O-])c1F ZINC000353121292 428390891 /nfs/dbraw/zinc/39/08/91/428390891.db2.gz DBBQFZHQYFTQJS-ZDUSSCGKSA-N -1 3 307.340 2.672 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3CCS[C@H](C)[C@H]3C)c(=O)c2c1 ZINC000346984472 428393925 /nfs/dbraw/zinc/39/39/25/428393925.db2.gz IWPXGLPBVDHDBO-VXGBXAGGSA-N -1 3 316.426 2.803 20 0 DFADHM COCc1nnc([N-][C@@H](c2nccs2)c2ccccc2)s1 ZINC000357152704 428410081 /nfs/dbraw/zinc/41/00/81/428410081.db2.gz UOIRYEMKWVDOEN-GFCCVEGCSA-N -1 3 318.427 3.343 20 0 DFADHM NC(=O)c1ccc([N-]C(=O)c2c(F)cc(F)cc2F)c(F)c1 ZINC000357156538 428412613 /nfs/dbraw/zinc/41/26/13/428412613.db2.gz YMGSYAVPFXUPKL-UHFFFAOYSA-N -1 3 312.222 2.594 20 0 DFADHM CCOc1ccc(F)c(NC(=O)NCc2ncccc2[O-])c1F ZINC000346882349 428358572 /nfs/dbraw/zinc/35/85/72/428358572.db2.gz WEMKOTJMXWMXNR-UHFFFAOYSA-N -1 3 323.299 2.786 20 0 DFADHM CCN(Cc1ccccn1)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342230286 428361518 /nfs/dbraw/zinc/36/15/18/428361518.db2.gz MMZBUMMFYJZSPU-UHFFFAOYSA-N -1 3 321.380 2.894 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c[n-]1 ZINC000342246970 428368193 /nfs/dbraw/zinc/36/81/93/428368193.db2.gz GFGCBIHEGUZMGR-UHFFFAOYSA-N -1 3 312.325 2.573 20 0 DFADHM O=C(c1c[n-]c2ccncc2c1=O)N1CC[C@@H](c2ccccc2)C1 ZINC000342245243 428368352 /nfs/dbraw/zinc/36/83/52/428368352.db2.gz QHSSLIRCEGMHEY-CQSZACIVSA-N -1 3 319.364 2.553 20 0 DFADHM CCOC(=O)[C@@H]1CCCCCN1C(=O)c1ccc(C)cc1[O-] ZINC000378359432 428377095 /nfs/dbraw/zinc/37/70/95/428377095.db2.gz JQUVAWWYEXPQMA-AWEZNQCLSA-N -1 3 305.374 2.649 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCC12CCOCC2 ZINC000378358988 428378906 /nfs/dbraw/zinc/37/89/06/428378906.db2.gz FVMVKHPPWPXTMC-UHFFFAOYSA-N -1 3 309.793 2.760 20 0 DFADHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC000342291665 428387317 /nfs/dbraw/zinc/38/73/17/428387317.db2.gz PTPDLUICRXOHPU-PRHODGIISA-N -1 3 323.867 2.883 20 0 DFADHM O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cccc([O-])c1 ZINC000357208908 428433725 /nfs/dbraw/zinc/43/37/25/428433725.db2.gz XFJYXJHQCLNNIW-UHFFFAOYSA-N -1 3 310.353 2.881 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)s1 ZINC000360795268 428442537 /nfs/dbraw/zinc/44/25/37/428442537.db2.gz GSUXAPYQSWDZCI-UHFFFAOYSA-N -1 3 321.427 2.720 20 0 DFADHM Cc1cccc(NC2CCN(Cc3nc(C)ccc3[O-])CC2)n1 ZINC000372407377 428444331 /nfs/dbraw/zinc/44/43/31/428444331.db2.gz SADZLPFNSHZGFP-UHFFFAOYSA-N -1 3 312.417 2.876 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@@H]2C)c1 ZINC000342768378 428448790 /nfs/dbraw/zinc/44/87/90/428448790.db2.gz HWYZPZOUIDAOSO-LRDDRELGSA-N -1 3 319.430 2.505 20 0 DFADHM COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000347155395 428470506 /nfs/dbraw/zinc/47/05/06/428470506.db2.gz MURHMARDRTZQQQ-CYBMUJFWSA-N -1 3 313.781 2.705 20 0 DFADHM CC[C@@H](C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000360817204 428452585 /nfs/dbraw/zinc/45/25/85/428452585.db2.gz CDGRUWCLIJCXNX-SNVBAGLBSA-N -1 3 312.295 2.634 20 0 DFADHM CC[C@@H](C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000360817204 428452589 /nfs/dbraw/zinc/45/25/89/428452589.db2.gz CDGRUWCLIJCXNX-SNVBAGLBSA-N -1 3 312.295 2.634 20 0 DFADHM CC[C@@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000360817204 428452594 /nfs/dbraw/zinc/45/25/94/428452594.db2.gz CDGRUWCLIJCXNX-SNVBAGLBSA-N -1 3 312.295 2.634 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)o1 ZINC000360844715 428461321 /nfs/dbraw/zinc/46/13/21/428461321.db2.gz GPFZXQOOSQIVMS-CABCVRRESA-N -1 3 321.398 2.787 20 0 DFADHM COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc([O-])cc2F)c1C ZINC000360856317 428466099 /nfs/dbraw/zinc/46/60/99/428466099.db2.gz YMKUZRITFSPNGW-UHFFFAOYSA-N -1 3 306.293 2.515 20 0 DFADHM CCCC(=O)N1CCC(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000360859817 428467989 /nfs/dbraw/zinc/46/79/89/428467989.db2.gz OLRNNPBYACUWGL-UHFFFAOYSA-N -1 3 308.353 2.509 20 0 DFADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncccc1C(=O)[O-] ZINC000389806335 428468180 /nfs/dbraw/zinc/46/81/80/428468180.db2.gz CUXDDPNBCGOFRA-CJNGLKHVSA-N -1 3 311.385 2.712 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C2)c([O-])c1 ZINC000357291329 428468928 /nfs/dbraw/zinc/46/89/28/428468928.db2.gz WDRLJJAGOBRAQN-STQMWFEESA-N -1 3 304.390 2.580 20 0 DFADHM O=C([C@@H]1Cc2cccc(F)c2O1)N1CCCc2cccc([O-])c21 ZINC000378497644 428414922 /nfs/dbraw/zinc/41/49/22/428414922.db2.gz OKAKUUGOXSECIS-HNNXBMFYSA-N -1 3 313.328 2.814 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(C)C ZINC000360728682 428417413 /nfs/dbraw/zinc/41/74/13/428417413.db2.gz KWYGNLYBMWYUDD-JTQLQIEISA-N -1 3 321.240 2.557 20 0 DFADHM O=C([N-]c1nnc2ccccn21)c1c(F)c(F)cc(F)c1F ZINC000360739281 428422002 /nfs/dbraw/zinc/42/20/02/428422002.db2.gz RRTBLXUNVWZGGZ-UHFFFAOYSA-N -1 3 310.210 2.538 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NCCOc1ccccc1F ZINC000357181864 428421990 /nfs/dbraw/zinc/42/19/90/428421990.db2.gz YUEYGFHTAFEDGN-UHFFFAOYSA-N -1 3 323.751 2.922 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H]1COc2c1cccc2Cl ZINC000378539542 428425605 /nfs/dbraw/zinc/42/56/05/428425605.db2.gz OBEAXAKFQJKMRL-ISZGNANSSA-N -1 3 316.744 2.704 20 0 DFADHM Cn1cc(-c2cccc(CNC(=O)c3cccc([O-])c3)c2)cn1 ZINC000378564925 428426636 /nfs/dbraw/zinc/42/66/36/428426636.db2.gz ITIQUVHSDBSDKR-UHFFFAOYSA-N -1 3 307.353 2.723 20 0 DFADHM O=S(=O)([N-]CCC1CC1)c1cc(C(F)(F)F)ccc1F ZINC000360766527 428431375 /nfs/dbraw/zinc/43/13/75/428431375.db2.gz IOYKBAHDTANKTA-UHFFFAOYSA-N -1 3 311.300 2.923 20 0 DFADHM CC[C@@H](C(=O)[O-])N(C)Cc1cccc(Br)c1F ZINC000394793724 428490150 /nfs/dbraw/zinc/49/01/50/428490150.db2.gz YJMNHZSYTBKPSB-JTQLQIEISA-N -1 3 304.159 2.883 20 0 DFADHM COC(=O)C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000357350077 428495103 /nfs/dbraw/zinc/49/51/03/428495103.db2.gz UXFLUVOKFLIVRO-HNNXBMFYSA-N -1 3 317.316 2.566 20 0 DFADHM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(C)(C)C ZINC000357385705 428509198 /nfs/dbraw/zinc/50/91/98/428509198.db2.gz AHPSPKMVGCNURA-CYBMUJFWSA-N -1 3 312.435 2.613 20 0 DFADHM Cc1nc(C)c(CCC(=O)N(C)[C@H]2CCC(C)(C)C2)c(=O)[n-]1 ZINC000360978815 428522170 /nfs/dbraw/zinc/52/21/70/428522170.db2.gz HVQAKVJDLPTGGH-ZDUSSCGKSA-N -1 3 305.422 2.769 20 0 DFADHM Cc1ccc(-n2cnnc2)c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000357424355 428529298 /nfs/dbraw/zinc/52/92/98/428529298.db2.gz MHQBZBJFSJDDOD-UHFFFAOYSA-N -1 3 312.304 2.673 20 0 DFADHM [O-]c1ccc(CCCc2nc([C@@H]3CCCOC3)no2)cc1F ZINC000347153960 428471507 /nfs/dbraw/zinc/47/15/07/428471507.db2.gz WRSSNFQLTUSCOO-GFCCVEGCSA-N -1 3 306.337 2.984 20 0 DFADHM Cc1sc(NC[C@H](C)N(C)Cc2ccccc2)nc1C(=O)[O-] ZINC000390641973 428473820 /nfs/dbraw/zinc/47/38/20/428473820.db2.gz LEIZPOBLTLGNRD-NSHDSACASA-N -1 3 319.430 3.082 20 0 DFADHM Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000360878511 428475247 /nfs/dbraw/zinc/47/52/47/428475247.db2.gz YTIFMJSVEOXNEC-ZDUSSCGKSA-N -1 3 322.405 2.747 20 0 DFADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000360889299 428478395 /nfs/dbraw/zinc/47/83/95/428478395.db2.gz QUPUVZRVAKUWDD-ZJUUUORDSA-N -1 3 319.448 2.638 20 0 DFADHM CC(C)c1nccn1[C@H]1CCCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000373461951 428582726 /nfs/dbraw/zinc/58/27/26/428582726.db2.gz SKAWVKJJMKBWML-NSHDSACASA-N -1 3 320.418 2.646 20 0 DFADHM CSc1ccccc1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000347448997 428584168 /nfs/dbraw/zinc/58/41/68/428584168.db2.gz JOFQGBXPKTXKTO-UHFFFAOYSA-N -1 3 316.308 2.727 20 0 DFADHM CSc1ccccc1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000347448997 428584169 /nfs/dbraw/zinc/58/41/69/428584169.db2.gz JOFQGBXPKTXKTO-UHFFFAOYSA-N -1 3 316.308 2.727 20 0 DFADHM Cn1cnc2cccc(C(=O)N3CCCc4cccc([O-])c43)c21 ZINC000343869329 428584333 /nfs/dbraw/zinc/58/43/33/428584333.db2.gz PCECDLOHLSCLJO-UHFFFAOYSA-N -1 3 307.353 2.872 20 0 DFADHM [O-]c1cc(F)cc(CN2CCCN(c3cncc(F)c3)CC2)c1 ZINC000373494642 428590554 /nfs/dbraw/zinc/59/05/54/428590554.db2.gz LNRITHFIBWGWRR-UHFFFAOYSA-N -1 3 319.355 2.778 20 0 DFADHM O=c1[n-]nc([C@H]2CCCN(C[C@@H]3CCC4(CCCCC4)O3)C2)o1 ZINC000408009155 428590971 /nfs/dbraw/zinc/59/09/71/428590971.db2.gz KNZHGBJJUIQVTD-KBPBESRZSA-N -1 3 321.421 2.837 20 0 DFADHM O=C(CCc1cncnc1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000343894977 428591983 /nfs/dbraw/zinc/59/19/83/428591983.db2.gz DZSQLAZBVGIGAI-UHFFFAOYSA-N -1 3 311.263 2.772 20 0 DFADHM O=C(Nc1ccc(-c2nnco2)cc1)c1cc(-c2ccco2)[n-]n1 ZINC000343184555 428532209 /nfs/dbraw/zinc/53/22/09/428532209.db2.gz WGGPSHJJJJMTQO-UHFFFAOYSA-N -1 3 321.296 2.972 20 0 DFADHM O=C(Nc1ccc(-c2nnco2)cc1)c1cc(-c2ccco2)n[n-]1 ZINC000343184555 428532213 /nfs/dbraw/zinc/53/22/13/428532213.db2.gz WGGPSHJJJJMTQO-UHFFFAOYSA-N -1 3 321.296 2.972 20 0 DFADHM COc1cc(C)ccc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000343201641 428536534 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CSc1nnc(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)[n-]1 ZINC000411754969 428853322 /nfs/dbraw/zinc/85/33/22/428853322.db2.gz IDTOGLYSOMMKLT-JTQLQIEISA-N -1 3 318.402 2.810 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000411754969 428853327 /nfs/dbraw/zinc/85/33/27/428853327.db2.gz IDTOGLYSOMMKLT-JTQLQIEISA-N -1 3 318.402 2.810 20 0 DFADHM CSc1nc(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)n[n-]1 ZINC000411754969 428853332 /nfs/dbraw/zinc/85/33/32/428853332.db2.gz IDTOGLYSOMMKLT-JTQLQIEISA-N -1 3 318.402 2.810 20 0 DFADHM CCOc1ccc(OC)cc1NC(=O)NCc1ncccc1[O-] ZINC000348788206 428838558 /nfs/dbraw/zinc/83/85/58/428838558.db2.gz WTAWNHICGOPXRZ-UHFFFAOYSA-N -1 3 317.345 2.516 20 0 DFADHM Cc1ccc(O)c(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000348787288 428838700 /nfs/dbraw/zinc/83/87/00/428838700.db2.gz RBLXXMYMBFTZHX-UHFFFAOYSA-N -1 3 304.321 2.902 20 0 DFADHM O=c1[n-]nc([C@H]2CCCN([C@H]3C[C@H]3c3cccc(F)c3)C2)o1 ZINC000411674352 428839818 /nfs/dbraw/zinc/83/98/18/428839818.db2.gz 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/nfs/dbraw/zinc/87/24/80/428872480.db2.gz MWFPHANMJDWZFW-UHFFFAOYSA-N -1 3 306.362 2.835 20 0 DFADHM Cn1c(NC(=O)c2c[n-]nc2-c2ccccc2)nc2cccnc21 ZINC000354133566 428877268 /nfs/dbraw/zinc/87/72/68/428877268.db2.gz HGUOEDPZKOYMJY-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1c(NC(=O)c2cn[n-]c2-c2ccccc2)nc2cccnc21 ZINC000354133566 428877273 /nfs/dbraw/zinc/87/72/73/428877273.db2.gz HGUOEDPZKOYMJY-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM CCc1ccc(C[N-]S(=O)(=O)c2cnc(CC)s2)s1 ZINC000359233866 428880071 /nfs/dbraw/zinc/88/00/71/428880071.db2.gz RMMCDDDBVVZPER-UHFFFAOYSA-N -1 3 316.473 2.808 20 0 DFADHM Cc1cc(Cl)ccc1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000348933420 428880272 /nfs/dbraw/zinc/88/02/72/428880272.db2.gz MTYHAHKCPCYIPP-UHFFFAOYSA-N -1 3 318.760 2.723 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](SC)C2)s1 ZINC000359233875 428880944 /nfs/dbraw/zinc/88/09/44/428880944.db2.gz RNKADDTUVFXHAS-NXEZZACHSA-N -1 3 320.505 2.658 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CCS[C@H](c2ccccc2)C1 ZINC000363234026 428886886 /nfs/dbraw/zinc/88/68/86/428886886.db2.gz FIWACWGFBWOMLX-INIZCTEOSA-N -1 3 324.409 2.888 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)c([O-])c1 ZINC000375552883 428911496 /nfs/dbraw/zinc/91/14/96/428911496.db2.gz MSSIBBYSYYTXQA-GFCCVEGCSA-N -1 3 313.357 2.591 20 0 DFADHM CCc1ccccc1-n1cc(C(=O)[N-]c2c(C)noc2C)nn1 ZINC000411942391 428891470 /nfs/dbraw/zinc/89/14/70/428891470.db2.gz MGNMBCUELWDLJX-UHFFFAOYSA-N -1 3 311.345 2.687 20 0 DFADHM CCCc1ccccc1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000348973475 428891552 /nfs/dbraw/zinc/89/15/52/428891552.db2.gz LDMUMWRCLCVVLF-UHFFFAOYSA-N -1 3 312.369 2.713 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccs2)s1 ZINC000359260814 428892654 /nfs/dbraw/zinc/89/26/54/428892654.db2.gz MBOFYPCFPBVJBD-QMMMGPOBSA-N -1 3 302.446 2.807 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(-c2nc(C3CCCC3)no2)cc1 ZINC000345473997 428899862 /nfs/dbraw/zinc/89/98/62/428899862.db2.gz ZAHDLMJSUBPBPI-UHFFFAOYSA-N -1 3 307.375 2.766 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCc2cccc(F)c2C1 ZINC000349076442 428915064 /nfs/dbraw/zinc/91/50/64/428915064.db2.gz MCUQZAUSRUYJFK-UHFFFAOYSA-N -1 3 322.339 2.866 20 0 DFADHM CCc1noc(C)c1NC(=O)c1[n-]nc2c1cccc2OC ZINC000349100229 428917963 /nfs/dbraw/zinc/91/79/63/428917963.db2.gz UJEIBCLCJJDDFQ-UHFFFAOYSA-N -1 3 300.318 2.683 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CC(Cc3ccccc3F)C2)n1 ZINC000363459064 428919780 /nfs/dbraw/zinc/91/97/80/428919780.db2.gz GJCWQDBTTDDUHO-UHFFFAOYSA-N -1 3 301.365 2.558 20 0 DFADHM Cc1conc1[N-]C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000345529311 428921968 /nfs/dbraw/zinc/92/19/68/428921968.db2.gz LJJRAZILTFPHBF-UHFFFAOYSA-N -1 3 303.705 3.544 20 0 DFADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccon1 ZINC000349201966 428938189 /nfs/dbraw/zinc/93/81/89/428938189.db2.gz OTIGLPPOIHTFEF-SECBINFHSA-N -1 3 310.313 2.920 20 0 DFADHM COc1ccc(NC(=O)[C@H](C)c2ccc3c(c2)OCO3)c([O-])c1 ZINC000349211501 428941515 /nfs/dbraw/zinc/94/15/15/428941515.db2.gz YBQYFJJQMVDXOZ-SNVBAGLBSA-N -1 3 315.325 2.872 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000412151717 428966664 /nfs/dbraw/zinc/96/66/64/428966664.db2.gz FSBJQEICNXDQJK-VXGBXAGGSA-N -1 3 314.385 2.797 20 0 DFADHM C[C@H](C1CCCCC1)N(C)C(=O)c1c[n-]c2ccncc2c1=O ZINC000412326480 429015524 /nfs/dbraw/zinc/01/55/24/429015524.db2.gz DXDVXEYERKKIPV-GFCCVEGCSA-N -1 3 313.401 2.964 20 0 DFADHM CC(=O)c1ccc(C(=O)NCC2(C(F)(F)F)CC2)cc1[O-] ZINC000412336232 429018774 /nfs/dbraw/zinc/01/87/74/429018774.db2.gz KRENIXYUQANPIT-UHFFFAOYSA-N -1 3 301.264 2.667 20 0 DFADHM COCC(C)(C)CCCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412334532 429019497 /nfs/dbraw/zinc/01/94/97/429019497.db2.gz GUBFWKXMWQMPLB-UHFFFAOYSA-N -1 3 307.390 2.777 20 0 DFADHM Cc1nc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cs1 ZINC000355093847 429027926 /nfs/dbraw/zinc/02/79/26/429027926.db2.gz LIMFRVVXXZPCSA-UHFFFAOYSA-N -1 3 321.308 2.824 20 0 DFADHM Cc1nc(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])cs1 ZINC000355093847 429027931 /nfs/dbraw/zinc/02/79/31/429027931.db2.gz LIMFRVVXXZPCSA-UHFFFAOYSA-N -1 3 321.308 2.824 20 0 DFADHM CO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(C)=O)c([O-])c2)C12CCC2 ZINC000412388984 429030808 /nfs/dbraw/zinc/03/08/08/429030808.db2.gz FDUGDRMCBIYBEL-HOTGVXAUSA-N -1 3 317.385 2.624 20 0 DFADHM CC(=O)c1ccc(C(=O)NCc2nc(C3CC3)cs2)cc1[O-] ZINC000412192954 428977003 /nfs/dbraw/zinc/97/70/03/428977003.db2.gz LNIMAHFKOYNUFT-UHFFFAOYSA-N -1 3 316.382 2.859 20 0 DFADHM CC[C@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)OC ZINC000451801306 428979032 /nfs/dbraw/zinc/97/90/32/428979032.db2.gz HLGOJMZOZMUSDA-GFCCVEGCSA-N -1 3 309.790 2.573 20 0 DFADHM CC[C@](C)(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)OC ZINC000451796310 428980617 /nfs/dbraw/zinc/98/06/17/428980617.db2.gz LFASCZCWMLJYBU-CYBMUJFWSA-N -1 3 323.817 2.714 20 0 DFADHM Cc1ccc2c(CN(CC(F)F)C[C@H](C)O)ccc([O-])c2n1 ZINC000451834979 428990901 /nfs/dbraw/zinc/99/09/01/428990901.db2.gz NWTYDRZNVUKJQH-NSHDSACASA-N -1 3 310.344 2.697 20 0 DFADHM CC[C@H]1[C@H](C)CCN1C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000412255812 428998763 /nfs/dbraw/zinc/99/87/63/428998763.db2.gz GLSLNSRYOWMEDU-BZNIZROVSA-N -1 3 314.385 2.797 20 0 DFADHM Cc1cccnc1C(C)(C)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000451858033 428999445 /nfs/dbraw/zinc/99/94/45/428999445.db2.gz ICRSQFVGZZQVES-UHFFFAOYSA-N -1 3 316.376 2.871 20 0 DFADHM CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(Cl)cc2[O-])C1(C)C ZINC000423705976 428999678 /nfs/dbraw/zinc/99/96/78/428999678.db2.gz ALFXOERHVCWZGP-WFASDCNBSA-N -1 3 312.797 2.517 20 0 DFADHM CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000423705689 429000254 /nfs/dbraw/zinc/00/02/54/429000254.db2.gz IEUMOTJMLSPWAO-CKUKBARFSA-N -1 3 324.808 2.517 20 0 DFADHM Cc1nc2cc(C(=O)Nc3nnc(-c4ccco4)[n-]3)ccc2o1 ZINC000349526405 429001540 /nfs/dbraw/zinc/00/15/40/429001540.db2.gz BGGBDQPBAGXKKZ-UHFFFAOYSA-N -1 3 309.285 2.767 20 0 DFADHM Cc1nc2cc(C(=O)Nc3nc(-c4ccco4)n[n-]3)ccc2o1 ZINC000349526405 429001544 /nfs/dbraw/zinc/00/15/44/429001544.db2.gz BGGBDQPBAGXKKZ-UHFFFAOYSA-N -1 3 309.285 2.767 20 0 DFADHM Cc1nc2cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)ccc2o1 ZINC000349526405 429001549 /nfs/dbraw/zinc/00/15/49/429001549.db2.gz BGGBDQPBAGXKKZ-UHFFFAOYSA-N -1 3 309.285 2.767 20 0 DFADHM CC(=O)c1ccc(C(=O)NCc2ccc3c(n2)CCCC3)cc1[O-] ZINC000412287321 429005339 /nfs/dbraw/zinc/00/53/39/429005339.db2.gz DRTLUGYZTKRVNX-UHFFFAOYSA-N -1 3 324.380 2.799 20 0 DFADHM C[C@@H]1CCC[C@H](CNC(=O)c2c[n-]c3ccncc3c2=O)[C@@H]1C ZINC000412303834 429008262 /nfs/dbraw/zinc/00/82/62/429008262.db2.gz GRPCCQZKILEGET-JHJVBQTASA-N -1 3 313.401 2.725 20 0 DFADHM C[C@@H]1CCC[C@@H](CNC(=O)c2c[n-]c3ccncc3c2=O)[C@H]1C ZINC000412303824 429009322 /nfs/dbraw/zinc/00/93/22/429009322.db2.gz GRPCCQZKILEGET-AGIUHOORSA-N -1 3 313.401 2.725 20 0 DFADHM NC(=O)C[C@H](NCc1cc([O-])cc(F)c1)c1cccc(Cl)c1 ZINC000349604150 429012773 /nfs/dbraw/zinc/01/27/73/429012773.db2.gz YWCVDUIUVUVMQA-HNNXBMFYSA-N -1 3 322.767 2.891 20 0 DFADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000376318854 429093927 /nfs/dbraw/zinc/09/39/27/429093927.db2.gz BUQFNGWWVCLNDM-AMIZOPFISA-N -1 3 313.375 2.688 20 0 DFADHM COc1ccc(C(=O)C(=O)Nc2nc(C)ccc2[O-])cc1Cl ZINC000355320090 429040030 /nfs/dbraw/zinc/04/00/30/429040030.db2.gz UYDJTYXZPBDLJI-UHFFFAOYSA-N -1 3 320.732 2.579 20 0 DFADHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000452054992 429044059 /nfs/dbraw/zinc/04/40/59/429044059.db2.gz AWNXMDCTEOXJIX-VXGBXAGGSA-N -1 3 321.801 2.715 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@H]2C)s1 ZINC000433823073 429052981 /nfs/dbraw/zinc/05/29/81/429052981.db2.gz MYRSVCZWUVYIAO-YGOYTEALSA-N -1 3 302.465 2.863 20 0 DFADHM CCn1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1=O ZINC000412498012 429054498 /nfs/dbraw/zinc/05/44/98/429054498.db2.gz JMZBUSPACGVNJF-UHFFFAOYSA-N -1 3 312.369 2.705 20 0 DFADHM C[C@@](Cc1ccccc1)([N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000452098457 429056252 /nfs/dbraw/zinc/05/62/52/429056252.db2.gz FYRXYXUYCXWANH-INIZCTEOSA-N -1 3 305.399 2.969 20 0 DFADHM CO[C@](C)([C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1)C1CC1 ZINC000412583243 429065761 /nfs/dbraw/zinc/06/57/61/429065761.db2.gz GEEPANOWKBXMDK-APPDUMDISA-N -1 3 305.374 2.528 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H]3CS[C@@H](C)C3)ccc2[n-]1 ZINC000412623371 429072640 /nfs/dbraw/zinc/07/26/40/429072640.db2.gz XMNVZJPIKWOXFR-GXSJLCMTSA-N -1 3 305.403 2.585 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H]3CS[C@@H](C)C3)cc2[n-]1 ZINC000412623371 429072644 /nfs/dbraw/zinc/07/26/44/429072644.db2.gz XMNVZJPIKWOXFR-GXSJLCMTSA-N -1 3 305.403 2.585 20 0 DFADHM COC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCCC1 ZINC000452174540 429078728 /nfs/dbraw/zinc/07/87/28/429078728.db2.gz JTRHAYDWIIHIMV-UHFFFAOYSA-N -1 3 309.381 2.929 20 0 DFADHM C[C@@H]1C[C@@H](CNC(=O)CCCc2ccc([O-])c(F)c2)[C@H](C)O1 ZINC000412668297 429079497 /nfs/dbraw/zinc/07/94/97/429079497.db2.gz ZXQCTNDFDFHWLY-DYEKYZERSA-N -1 3 309.381 2.784 20 0 DFADHM COCc1nocc1C(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000487201672 429143255 /nfs/dbraw/zinc/14/32/55/429143255.db2.gz PKIBSAOBAJMTRJ-UHFFFAOYSA-N -1 3 316.342 2.592 20 0 DFADHM C[C@@H]1N(C(=O)NCc2ccc([O-])c(F)c2)CCC12CCOCC2 ZINC000363965137 429149916 /nfs/dbraw/zinc/14/99/16/429149916.db2.gz DUYQKXCYBZNCSZ-LBPRGKRZSA-N -1 3 322.380 2.632 20 0 DFADHM CCc1cc(C(=O)Nc2cc(OC(F)F)n(C)n2)ccc1[O-] ZINC000487444542 429154806 /nfs/dbraw/zinc/15/48/06/429154806.db2.gz KMILDIOPOWXILB-UHFFFAOYSA-N -1 3 311.288 2.542 20 0 DFADHM CCc1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3C)ccc1[O-] ZINC000487495453 429155444 /nfs/dbraw/zinc/15/54/44/429155444.db2.gz WUOHJTYBQCYAFA-UHFFFAOYSA-N -1 3 310.353 2.726 20 0 DFADHM O=S(=O)([N-]C1CCC2(CC2)CC1)c1ccc(F)cc1F ZINC000434777614 429110839 /nfs/dbraw/zinc/11/08/39/429110839.db2.gz PUZMABLMJQPNSG-UHFFFAOYSA-N -1 3 301.358 2.966 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000412936410 429113061 /nfs/dbraw/zinc/11/30/61/429113061.db2.gz NJARONNHUOEAOE-ZIAGYGMSSA-N -1 3 321.417 2.852 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(n3cc(Cl)cn3)CC2)n1 ZINC000376439383 429113368 /nfs/dbraw/zinc/11/33/68/429113368.db2.gz CIVGSAIHVZVMPO-NSHDSACASA-N -1 3 321.812 2.739 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000376456388 429116225 /nfs/dbraw/zinc/11/62/25/429116225.db2.gz XNHDSRTYEOILLT-QMMMGPOBSA-N -1 3 310.325 2.757 20 0 DFADHM CCCn1c(=O)[n-]nc1SCc1csc(C(=O)OC)c1 ZINC000412980797 429117178 /nfs/dbraw/zinc/11/71/78/429117178.db2.gz DCRBPUUWIOAZDL-UHFFFAOYSA-N -1 3 313.404 2.534 20 0 DFADHM CCn1c(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])nc2cc(F)ccc21 ZINC000424273177 429117745 /nfs/dbraw/zinc/11/77/45/429117745.db2.gz SDFVCSRWHHEUQR-BZNIZROVSA-N -1 3 319.380 2.880 20 0 DFADHM Cc1cc(C)cc([C@]2(F)CCN(Cc3n[n-]c(=O)s3)C2)c1 ZINC000376514225 429126937 /nfs/dbraw/zinc/12/69/37/429126937.db2.gz HSKVFSRHRFHEPR-HNNXBMFYSA-N -1 3 307.394 2.931 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3CCC(CF)CC3)c([O-])c2O1 ZINC000452592973 429132410 /nfs/dbraw/zinc/13/24/10/429132410.db2.gz MFRSPHJQXLECAZ-UHFFFAOYSA-N -1 3 307.365 2.927 20 0 DFADHM Cc1c(NCc2cc([O-])cc(F)c2)cccc1N1CCNC1=O ZINC000487174631 429139051 /nfs/dbraw/zinc/13/90/51/429139051.db2.gz SSTOIFOVHHJTDJ-UHFFFAOYSA-N -1 3 315.348 2.981 20 0 DFADHM CCc1cc(C(=O)N[C@H](C(=O)OC)c2ccsc2)ccc1[O-] ZINC000487191595 429141199 /nfs/dbraw/zinc/14/11/99/429141199.db2.gz SDNASCNCMFSOJP-AWEZNQCLSA-N -1 3 319.382 2.660 20 0 DFADHM CC(C)[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000436073780 429179500 /nfs/dbraw/zinc/17/95/00/429179500.db2.gz CTMDWILLNNBMBQ-OAHLLOKOSA-N -1 3 322.372 2.640 20 0 DFADHM CC(C)[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000436073780 429179505 /nfs/dbraw/zinc/17/95/05/429179505.db2.gz CTMDWILLNNBMBQ-OAHLLOKOSA-N -1 3 322.372 2.640 20 0 DFADHM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000424711100 429179777 /nfs/dbraw/zinc/17/97/77/429179777.db2.gz BQIRATVSYSYRQE-VHSXEESVSA-N -1 3 310.279 2.874 20 0 DFADHM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000424711100 429179780 /nfs/dbraw/zinc/17/97/80/429179780.db2.gz BQIRATVSYSYRQE-VHSXEESVSA-N -1 3 310.279 2.874 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000364309882 429179854 /nfs/dbraw/zinc/17/98/54/429179854.db2.gz WVVDUHGPAHSMCI-KGLIPLIRSA-N -1 3 319.401 2.680 20 0 DFADHM CC(C)[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1cccnc1 ZINC000436131770 429183673 /nfs/dbraw/zinc/18/36/73/429183673.db2.gz QRIKLJITBJOCDA-VIFPVBQESA-N -1 3 313.283 2.597 20 0 DFADHM CC(C)[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1cccnc1 ZINC000436131770 429183679 /nfs/dbraw/zinc/18/36/79/429183679.db2.gz QRIKLJITBJOCDA-VIFPVBQESA-N -1 3 313.283 2.597 20 0 DFADHM Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000424768439 429188816 /nfs/dbraw/zinc/18/88/16/429188816.db2.gz HUHMMKVWGHKHCY-WDEREUQCSA-N -1 3 324.306 2.552 20 0 DFADHM Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000424768439 429188821 /nfs/dbraw/zinc/18/88/21/429188821.db2.gz HUHMMKVWGHKHCY-WDEREUQCSA-N -1 3 324.306 2.552 20 0 DFADHM Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000424768439 429188826 /nfs/dbraw/zinc/18/88/26/429188826.db2.gz HUHMMKVWGHKHCY-WDEREUQCSA-N -1 3 324.306 2.552 20 0 DFADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1c[n-]c2ccccc2c1=O ZINC000488963173 429209544 /nfs/dbraw/zinc/20/95/44/429209544.db2.gz FFSLMJNEDJDKOK-SNVBAGLBSA-N -1 3 306.312 2.836 20 0 DFADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(F)(F)F ZINC000424952179 429211530 /nfs/dbraw/zinc/21/15/30/429211530.db2.gz WJQRULXXVFNLRT-SSDOTTSWSA-N -1 3 303.280 2.786 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3CC(CC(F)F)C3)c(=O)c2c1 ZINC000425090704 429232367 /nfs/dbraw/zinc/23/23/67/429232367.db2.gz ZZDMQCMIYDRMAU-UHFFFAOYSA-N -1 3 306.312 2.564 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)C(F)(F)F)ccc2[n-]1 ZINC000424956378 429212191 /nfs/dbraw/zinc/21/21/91/429212191.db2.gz FNWZCAOXAHIFLL-ZETCQYMHSA-N -1 3 301.268 2.642 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)C(F)(F)F)cc2[n-]1 ZINC000424956378 429212194 /nfs/dbraw/zinc/21/21/94/429212194.db2.gz FNWZCAOXAHIFLL-ZETCQYMHSA-N -1 3 301.268 2.642 20 0 DFADHM CN(C)Cc1ccccc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000455804165 429213283 /nfs/dbraw/zinc/21/32/83/429213283.db2.gz VZNRXTPKPAVJGL-OAHLLOKOSA-N -1 3 320.433 2.758 20 0 DFADHM C[C@H]1CCCN(C(=O)c2cccc([O-])c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425039219 429223120 /nfs/dbraw/zinc/22/31/20/429223120.db2.gz MQCBGFQEHLUGQA-WFASDCNBSA-N -1 3 319.401 2.975 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2ccc(COCCO)cc2)c1 ZINC000425065116 429227797 /nfs/dbraw/zinc/22/77/97/429227797.db2.gz CXIMMBQXSVTDAX-UHFFFAOYSA-N -1 3 315.369 2.716 20 0 DFADHM CCOc1nc2cc(C(=O)N3CC(CC(F)F)C3)ccc2[n-]1 ZINC000425077383 429230271 /nfs/dbraw/zinc/23/02/71/429230271.db2.gz RQIWPFVDEDTZNZ-UHFFFAOYSA-N -1 3 309.316 2.689 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CC(CC(F)F)C3)cc2[n-]1 ZINC000425077383 429230276 /nfs/dbraw/zinc/23/02/76/429230276.db2.gz RQIWPFVDEDTZNZ-UHFFFAOYSA-N -1 3 309.316 2.689 20 0 DFADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])nn1-c1ccccc1 ZINC000436748164 429201922 /nfs/dbraw/zinc/20/19/22/429201922.db2.gz QYOAMAUOXDTDBW-UHFFFAOYSA-N -1 3 307.353 3.447 20 0 DFADHM COC(=O)Nc1cccc(CNC(=O)c2cc(C)ccc2[O-])c1 ZINC000495630726 429234984 /nfs/dbraw/zinc/23/49/84/429234984.db2.gz HDOWWZLWPXSLAH-UHFFFAOYSA-N -1 3 314.341 2.809 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCCC(C)(C)C2)s1 ZINC000442769776 429235380 /nfs/dbraw/zinc/23/53/80/429235380.db2.gz OANQKQOAPNAXGL-JTQLQIEISA-N -1 3 302.465 2.953 20 0 DFADHM COc1cccc(C[C@H](O)C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000442822642 429236989 /nfs/dbraw/zinc/23/69/89/429236989.db2.gz PCJHCRGIXTZKPM-HNNXBMFYSA-N -1 3 321.760 2.596 20 0 DFADHM Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cnn1C ZINC000442820019 429237666 /nfs/dbraw/zinc/23/76/66/429237666.db2.gz JQATZEYRWYYQGF-UHFFFAOYSA-N -1 3 315.251 2.585 20 0 DFADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccccn1)c1ccco1 ZINC000364634282 429238261 /nfs/dbraw/zinc/23/82/61/429238261.db2.gz KUHKVYWHGJXITM-INIZCTEOSA-N -1 3 314.366 2.743 20 0 DFADHM CC[C@H](C)[C@@H](O)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442936628 429240726 /nfs/dbraw/zinc/24/07/26/429240726.db2.gz ZVARQCCIZCCGSJ-WRWORJQWSA-N -1 3 307.268 2.636 20 0 DFADHM COC(=O)Nc1cccc(CNC(=O)c2ccccc2[O-])c1 ZINC000495694813 429249332 /nfs/dbraw/zinc/24/93/32/429249332.db2.gz HCRJKVHEBFXKHJ-UHFFFAOYSA-N -1 3 300.314 2.501 20 0 DFADHM C[C@@H](CCC(=O)[N-]OCCC1CC1)NC(=O)OC(C)(C)C ZINC000495708815 429250757 /nfs/dbraw/zinc/25/07/57/429250757.db2.gz OTTGQOGDNXCGHG-NSHDSACASA-N -1 3 300.399 2.528 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3CC(CC(F)F)C3)c[n-]c12 ZINC000425324915 429264966 /nfs/dbraw/zinc/26/49/66/429264966.db2.gz NBOXHGCGEQRVAG-UHFFFAOYSA-N -1 3 306.312 2.564 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456292931 429271940 /nfs/dbraw/zinc/27/19/40/429271940.db2.gz XLXHAFHKTQMAEO-KBXCAEBGSA-N -1 3 308.381 2.789 20 0 DFADHM Cc1ccc(NC(=O)[N-]OCCC2CC2)cc1N1CCOC1=O ZINC000495858164 429282024 /nfs/dbraw/zinc/28/20/24/429282024.db2.gz VCGZXNHCJVOBET-UHFFFAOYSA-N -1 3 319.361 2.805 20 0 DFADHM Cn1cc([C@@H]2CCCN(C(=O)c3cc([O-])ccc3Cl)C2)cn1 ZINC000365594441 429347723 /nfs/dbraw/zinc/34/77/23/429347723.db2.gz IUAXREFQCHKLJG-LLVKDONJSA-N -1 3 319.792 2.799 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CC[C@H](Cc2ccc(F)c(F)c2)C1 ZINC000365543642 429337768 /nfs/dbraw/zinc/33/77/68/429337768.db2.gz ASCIEIQBDSCNEH-SNVBAGLBSA-N -1 3 324.352 2.832 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@]2(CCOC2)C1 ZINC000456703276 429339955 /nfs/dbraw/zinc/33/99/55/429339955.db2.gz WURCDZOQWLLALI-INIZCTEOSA-N -1 3 309.793 2.617 20 0 DFADHM O=C(NC[C@H]1C[C@@]12CCCc1ccccc12)c1csc(=O)[n-]1 ZINC000365559772 429342966 /nfs/dbraw/zinc/34/29/66/429342966.db2.gz JGCCVKQQLWOITJ-PXAZEXFGSA-N -1 3 314.410 2.873 20 0 DFADHM Cc1ccc(C(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)c([O-])c1 ZINC000365573783 429343793 /nfs/dbraw/zinc/34/37/93/429343793.db2.gz SQNWMRLRWUGRRQ-ZDUSSCGKSA-N -1 3 324.380 2.960 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCCc2c[nH]c3ncccc23)c1 ZINC000505887875 429344078 /nfs/dbraw/zinc/34/40/78/429344078.db2.gz HYLJERFRVADQKL-UHFFFAOYSA-N -1 3 309.369 2.803 20 0 DFADHM C[C@H]1CC[S@](=O)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000365316579 429301527 /nfs/dbraw/zinc/30/15/27/429301527.db2.gz QRIWYMYHPAQOPX-YTEVENLXSA-N -1 3 317.410 2.529 20 0 DFADHM C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[O-])CCCC3)c2nccn21 ZINC000456431531 429306524 /nfs/dbraw/zinc/30/65/24/429306524.db2.gz SOZFRJMOIFCNSD-NHYWBVRUSA-N -1 3 311.385 2.903 20 0 DFADHM CN(C(=O)Cc1ccc([O-])cc1Cl)[C@H](CO)CC(C)(C)C ZINC000456445881 429309019 /nfs/dbraw/zinc/30/90/19/429309019.db2.gz NIYLBNKWOSCJQH-LBPRGKRZSA-N -1 3 313.825 2.844 20 0 DFADHM Cc1cc(C(=O)[N-]c2cc(-c3ccccc3F)on2)ns1 ZINC000448490986 429312945 /nfs/dbraw/zinc/31/29/45/429312945.db2.gz RPXMVAMSXVLNOQ-UHFFFAOYSA-N -1 3 303.318 3.498 20 0 DFADHM CCc1cc(C(=O)N[C@H]2C[C@@H](CO)c3ccccc32)ccc1[O-] ZINC000365892795 429397619 /nfs/dbraw/zinc/39/76/19/429397619.db2.gz FGFLXTHNUJWWAW-YOEHRIQHSA-N -1 3 311.381 2.905 20 0 DFADHM COC[C@H](NC(=O)c1csc(=O)[n-]1)c1cccc(Cl)c1 ZINC000426509404 429398282 /nfs/dbraw/zinc/39/82/82/429398282.db2.gz SCHCLDWDJRIRLP-JTQLQIEISA-N -1 3 312.778 2.620 20 0 DFADHM CCN(Cc1ccc(C)cc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517882752 429403747 /nfs/dbraw/zinc/40/37/47/429403747.db2.gz STGUSNJLWQVMLZ-UHFFFAOYSA-N -1 3 322.364 2.541 20 0 DFADHM CCc1cccc(C)c1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000426636923 429404283 /nfs/dbraw/zinc/40/42/83/429404283.db2.gz BQRCYKLDHITMNJ-UHFFFAOYSA-N -1 3 312.369 2.632 20 0 DFADHM CCSc1cccc(CN[C@@H](Cn2cc(C)cn2)C(=O)[O-])c1 ZINC000426721148 429411236 /nfs/dbraw/zinc/41/12/36/429411236.db2.gz RHQBBVVEOVFVCP-HNNXBMFYSA-N -1 3 319.430 2.547 20 0 DFADHM CC[C@H](CNCc1nc2ccc(OC)cc2s1)CC(=O)[O-] ZINC000426655393 429407057 /nfs/dbraw/zinc/40/70/57/429407057.db2.gz RUMQEJIRIYRTDY-JTQLQIEISA-N -1 3 308.403 2.895 20 0 DFADHM COc1ccc(CNCc2ccccc2CC(=O)[O-])cc1F ZINC000426691056 429407983 /nfs/dbraw/zinc/40/79/83/429407983.db2.gz FVDHMFXPACKSQS-UHFFFAOYSA-N -1 3 303.333 2.751 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2cc3ccccc3o2)[n-]1 ZINC000491502815 429366746 /nfs/dbraw/zinc/36/67/46/429366746.db2.gz ALKWQMFXIHLHIB-VOTSOKGWSA-N -1 3 300.343 2.925 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2cc3ccccc3o2)n1 ZINC000491502815 429366753 /nfs/dbraw/zinc/36/67/53/429366753.db2.gz ALKWQMFXIHLHIB-VOTSOKGWSA-N -1 3 300.343 2.925 20 0 DFADHM CSc1nc(NC(=O)C=Cc2cc3ccccc3o2)n[n-]1 ZINC000491502815 429366755 /nfs/dbraw/zinc/36/67/55/429366755.db2.gz ALKWQMFXIHLHIB-VOTSOKGWSA-N -1 3 300.343 2.925 20 0 DFADHM COc1ccc(Cl)cc1C=CC(=O)Nc1nnc(SC)[n-]1 ZINC000491508834 429368008 /nfs/dbraw/zinc/36/80/08/429368008.db2.gz ZAISFLMGVSWKBW-ZZXKWVIFSA-N -1 3 324.793 2.841 20 0 DFADHM COc1ccc(Cl)cc1C=CC(=O)Nc1nc(SC)n[n-]1 ZINC000491508834 429368011 /nfs/dbraw/zinc/36/80/11/429368011.db2.gz ZAISFLMGVSWKBW-ZZXKWVIFSA-N -1 3 324.793 2.841 20 0 DFADHM COc1ccc(Cl)cc1C=CC(=O)Nc1n[n-]c(SC)n1 ZINC000491508834 429368015 /nfs/dbraw/zinc/36/80/15/429368015.db2.gz ZAISFLMGVSWKBW-ZZXKWVIFSA-N -1 3 324.793 2.841 20 0 DFADHM C[C@@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1(F)F ZINC000426139784 429368331 /nfs/dbraw/zinc/36/83/31/429368331.db2.gz NBTDRPBSDXARRN-SECBINFHSA-N -1 3 302.296 2.718 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N1C[C@H]3CCCC[C@H]31)c2=O ZINC000365777066 429370803 /nfs/dbraw/zinc/37/08/03/429370803.db2.gz DBENGWHVUSLMFF-BDJLRTHQSA-N -1 3 312.369 2.551 20 0 DFADHM COc1ccc([O-])c(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1 ZINC000456986189 429373456 /nfs/dbraw/zinc/37/34/56/429373456.db2.gz PGXYMBADTXHLKI-ABXQLRGKSA-N -1 3 301.386 2.909 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000457039640 429383292 /nfs/dbraw/zinc/38/32/92/429383292.db2.gz ZIFMBNLMBOAXTC-QGZVFWFLSA-N -1 3 310.397 2.741 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2ccc3c(c2)C(=O)CCO3)c1 ZINC000365854346 429387605 /nfs/dbraw/zinc/38/76/05/429387605.db2.gz QUCZHNZLIYYCPH-UHFFFAOYSA-N -1 3 313.309 2.618 20 0 DFADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000457298115 429441175 /nfs/dbraw/zinc/44/11/75/429441175.db2.gz SLBIXAPYULWSBS-WMLDXEAASA-N -1 3 307.390 2.964 20 0 DFADHM CSc1ccc(C(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)c([O-])c1 ZINC000366252665 429442244 /nfs/dbraw/zinc/44/22/44/429442244.db2.gz ORXQZIBIWXUDNO-BONVTDFDSA-N -1 3 307.415 2.754 20 0 DFADHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000427258524 429442378 /nfs/dbraw/zinc/44/23/78/429442378.db2.gz CIKGXMCYKUIFKY-NSHDSACASA-N -1 3 307.337 2.961 20 0 DFADHM COC1(CNC(=O)/C=C\c2cncc([O-])c2)CCC(C)CC1 ZINC000492000656 429447449 /nfs/dbraw/zinc/44/74/49/429447449.db2.gz DTFGKBKLQIKDCK-ARJAWSKDSA-N -1 3 304.390 2.512 20 0 DFADHM CCCOc1ccc(/C=C/C(=O)NCc2ncccc2[O-])cc1 ZINC000492002642 429448770 /nfs/dbraw/zinc/44/87/70/429448770.db2.gz PLRJDVXEQDPGHZ-JXMROGBWSA-N -1 3 312.369 2.906 20 0 DFADHM O=C(/C=C\c1ccc[nH]1)NCc1ccc([O-])c(Br)c1 ZINC000492014206 429452626 /nfs/dbraw/zinc/45/26/26/429452626.db2.gz HAXCNSZCAKCQPX-XQRVVYSFSA-N -1 3 321.174 2.812 20 0 DFADHM Cc1ncc(CNC(=O)C[C@@H](C)c2c[nH]c3ccccc32)c(=O)[n-]1 ZINC000427482639 429453165 /nfs/dbraw/zinc/45/31/65/429453165.db2.gz ZUDUHJBKHFXNIL-LLVKDONJSA-N -1 3 324.384 2.782 20 0 DFADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1cccc(Cl)c1F ZINC000426756664 429413888 /nfs/dbraw/zinc/41/38/88/429413888.db2.gz LTMMCYBYHRKYPR-CYBMUJFWSA-N -1 3 314.788 2.508 20 0 DFADHM Cc1cc(C)n([C@@H]2CCCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)n1 ZINC000366081500 429415195 /nfs/dbraw/zinc/41/51/95/429415195.db2.gz CXKNGHWMUHJNBC-HUUCEWRRSA-N -1 3 315.421 2.702 20 0 DFADHM COc1ccc([C@H](NCc2ccc(F)cc2)C(=O)[O-])cc1F ZINC000426818226 429420121 /nfs/dbraw/zinc/42/01/21/429420121.db2.gz DVQWXCOKSHPPBX-HNNXBMFYSA-N -1 3 307.296 2.889 20 0 DFADHM Cc1c(Cl)cccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000518754968 429431786 /nfs/dbraw/zinc/43/17/86/429431786.db2.gz YNVHMBMUMVJYAT-UHFFFAOYSA-N -1 3 303.811 2.817 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000427149367 429435591 /nfs/dbraw/zinc/43/55/91/429435591.db2.gz GBMNMKVBZGZTOI-ZETCQYMHSA-N -1 3 307.737 2.592 20 0 DFADHM 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Cc1ccc(N(C)[C@@H]2CCCN(Cc3n[n-]c(=O)s3)C2)cc1 ZINC000367465009 429654404 /nfs/dbraw/zinc/65/44/04/429654404.db2.gz XGEZHXBSYHKPLU-CQSZACIVSA-N -1 3 318.446 2.653 20 0 DFADHM Cn1cc(C(=O)Nc2ccc([O-])cc2F)c2ccccc2c1=O ZINC000430278510 429671016 /nfs/dbraw/zinc/67/10/16/429671016.db2.gz IYAWDLPGOBOUTG-UHFFFAOYSA-N -1 3 312.300 2.636 20 0 DFADHM O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cccc2nn[n-]c21 ZINC000525866696 429682110 /nfs/dbraw/zinc/68/21/10/429682110.db2.gz IISROPYMWJNPHQ-UHFFFAOYSA-N -1 3 318.239 2.532 20 0 DFADHM O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cccc2[n-]nnc21 ZINC000525866696 429682113 /nfs/dbraw/zinc/68/21/13/429682113.db2.gz IISROPYMWJNPHQ-UHFFFAOYSA-N -1 3 318.239 2.532 20 0 DFADHM O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cccc2n[n-]nc21 ZINC000525866696 429682118 /nfs/dbraw/zinc/68/21/18/429682118.db2.gz IISROPYMWJNPHQ-UHFFFAOYSA-N -1 3 318.239 2.532 20 0 DFADHM CCC1(CC)[C@H](NC(=O)c2cccc3nn[n-]c32)[C@@H](C)[C@@H]1OC ZINC000525870532 429682393 /nfs/dbraw/zinc/68/23/93/429682393.db2.gz DYIQWOKFAZWDBH-KMUNFCNLSA-N -1 3 316.405 2.527 20 0 DFADHM CCC1(CC)[C@H](NC(=O)c2cccc3[n-]nnc32)[C@@H](C)[C@@H]1OC ZINC000525870532 429682395 /nfs/dbraw/zinc/68/23/95/429682395.db2.gz DYIQWOKFAZWDBH-KMUNFCNLSA-N -1 3 316.405 2.527 20 0 DFADHM CCC1(CC)[C@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](C)[C@@H]1OC ZINC000525870532 429682401 /nfs/dbraw/zinc/68/24/01/429682401.db2.gz DYIQWOKFAZWDBH-KMUNFCNLSA-N -1 3 316.405 2.527 20 0 DFADHM C[C@]1(c2ccccc2)CCN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000525865736 429682438 /nfs/dbraw/zinc/68/24/38/429682438.db2.gz GEGLQDICYVQOSQ-SFHVURJKSA-N -1 3 306.369 2.762 20 0 DFADHM C[C@]1(c2ccccc2)CCN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000525865736 429682444 /nfs/dbraw/zinc/68/24/44/429682444.db2.gz GEGLQDICYVQOSQ-SFHVURJKSA-N -1 3 306.369 2.762 20 0 DFADHM C[C@]1(c2ccccc2)CCN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000525865736 429682448 /nfs/dbraw/zinc/68/24/48/429682448.db2.gz GEGLQDICYVQOSQ-SFHVURJKSA-N -1 3 306.369 2.762 20 0 DFADHM CCn1c2ccccc2nc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000493089043 429687002 /nfs/dbraw/zinc/68/70/02/429687002.db2.gz IHULOZDVAPEZAC-FPLPWBNLSA-N -1 3 308.341 2.809 20 0 DFADHM O=C(/C=C/[C@@H]1CCOC1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000493147263 429698481 /nfs/dbraw/zinc/69/84/81/429698481.db2.gz GOBUPAYPJKJFMS-CITMHJQUSA-N -1 3 317.263 2.822 20 0 DFADHM [O-]c1cccnc1CNCc1c(C2CC2)nc2sccn12 ZINC000525999060 429693472 /nfs/dbraw/zinc/69/34/72/429693472.db2.gz QPSRBKFEFHRSAO-UHFFFAOYSA-N -1 3 300.387 2.664 20 0 DFADHM CCc1cccc(C(=O)N2CCC(n3cncc3C)CC2)c1[O-] ZINC000526018292 429696885 /nfs/dbraw/zinc/69/68/85/429696885.db2.gz JAWJJSWYBDCJEL-UHFFFAOYSA-N -1 3 313.401 2.937 20 0 DFADHM CC(C)OCCO[N-]C(=O)/C=C\c1ccc(OC(F)F)cc1 ZINC000493136665 429696948 /nfs/dbraw/zinc/69/69/48/429696948.db2.gz ZBOITOHRVROHDB-YVMONPNESA-N -1 3 315.316 2.774 20 0 DFADHM C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)CCCC(=O)[O-] ZINC000430661843 429706567 /nfs/dbraw/zinc/70/65/67/429706567.db2.gz IGATWBXXOAITHC-OLZOCXBDSA-N -1 3 324.446 2.597 20 0 DFADHM CN(CCCC(=O)[O-])[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000430682350 429708471 /nfs/dbraw/zinc/70/84/71/429708471.db2.gz WYKZZJVBEVZWEY-CQSZACIVSA-N -1 3 324.808 2.632 20 0 DFADHM CCN(C(=O)CN(C)CCCC(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000430672070 429709203 /nfs/dbraw/zinc/70/92/03/429709203.db2.gz SLISXIMTXBMGJN-ZDUSSCGKSA-N -1 3 324.396 2.532 20 0 DFADHM CCCOc1cc(O)ccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000493213764 429712917 /nfs/dbraw/zinc/71/29/17/429712917.db2.gz AIFIFGKXTASCKD-ZZXKWVIFSA-N -1 3 314.341 2.934 20 0 DFADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1ccc(F)c(F)c1F ZINC000367772924 429715285 /nfs/dbraw/zinc/71/52/85/429715285.db2.gz QVRRLTRLOHIZRF-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1csc(=O)[n-]1 ZINC000527160323 429728222 /nfs/dbraw/zinc/72/82/22/429728222.db2.gz UVZDBFRCYAADEU-SECBINFHSA-N -1 3 302.277 2.882 20 0 DFADHM CCOCCC[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000450969080 429740531 /nfs/dbraw/zinc/74/05/31/429740531.db2.gz KUAQIDCJTMFLAR-UHFFFAOYSA-N -1 3 311.378 2.684 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)CCC1CCCC1)c1ccc(C)o1 ZINC000451267031 429798602 /nfs/dbraw/zinc/79/86/02/429798602.db2.gz HSDCILKHIRFYLY-CQSZACIVSA-N -1 3 315.435 2.775 20 0 DFADHM C[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC12CCCCC2 ZINC000368150440 429798938 /nfs/dbraw/zinc/79/89/38/429798938.db2.gz LPUGGVUXDGKRMC-CQSZACIVSA-N -1 3 314.433 2.815 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)C1CCOCC1 ZINC000451268763 429801795 /nfs/dbraw/zinc/80/17/95/429801795.db2.gz FAJGUKYMTPNTDQ-GFCCVEGCSA-N -1 3 303.449 2.540 20 0 DFADHM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1csc(=O)[n-]1 ZINC000527451435 429750156 /nfs/dbraw/zinc/75/01/56/429750156.db2.gz FQFNBIGRSNXJFO-JTQLQIEISA-N -1 3 308.334 2.632 20 0 DFADHM CCc1cc(C(=O)Nc2ccn(CCC(C)C)n2)ccc1[O-] ZINC000486691993 429751797 /nfs/dbraw/zinc/75/17/97/429751797.db2.gz WNIINHFPFNGIMH-UHFFFAOYSA-N -1 3 301.390 3.450 20 0 DFADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1nc(C(F)(F)F)cs1 ZINC000527474766 429752198 /nfs/dbraw/zinc/75/21/98/429752198.db2.gz AVPVYJYCZWHRCF-SCSAIBSYSA-N -1 3 323.321 2.815 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000451049839 429756169 /nfs/dbraw/zinc/75/61/69/429756169.db2.gz KWWOBXRGZZVIPE-STQMWFEESA-N -1 3 316.492 2.598 20 0 DFADHM C[C@](O)(C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C1CCC1 ZINC000486984678 429758463 /nfs/dbraw/zinc/75/84/63/429758463.db2.gz GVYUAOBLWXSWPJ-CYBMUJFWSA-N -1 3 303.280 2.901 20 0 DFADHM Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc(O)cc2[O-])no1 ZINC000367980993 429758593 /nfs/dbraw/zinc/75/85/93/429758593.db2.gz HXHUPVVAXISDGY-ZDUSSCGKSA-N -1 3 317.345 2.547 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2)C(F)F ZINC000451079495 429763828 /nfs/dbraw/zinc/76/38/28/429763828.db2.gz HPILUTZYGDOAIU-JTQLQIEISA-N -1 3 319.373 2.722 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1Cl)C(F)F ZINC000451086287 429766188 /nfs/dbraw/zinc/76/61/88/429766188.db2.gz SDRDFGLQQDTZGA-VIFPVBQESA-N -1 3 313.753 2.671 20 0 DFADHM COc1nccc2cc([N-]S(=O)(=O)CCCCF)ccc21 ZINC000451099814 429767809 /nfs/dbraw/zinc/76/78/09/429767809.db2.gz ZDNIRPFJANVXRH-UHFFFAOYSA-N -1 3 312.366 2.735 20 0 DFADHM CC[C@H](C)n1ncc(NC(=O)/C=C/c2cncc([O-])c2)c1C ZINC000493463931 429768721 /nfs/dbraw/zinc/76/87/21/429768721.db2.gz KTYMRMHAXSXJKF-QRGHLMKCSA-N -1 3 300.362 2.915 20 0 DFADHM Cc1cc(C(=O)N2CCc3nc(C(C)C)ncc3C2)ccc1[O-] ZINC000527629542 429770271 /nfs/dbraw/zinc/77/02/71/429770271.db2.gz WTNINYKLVFFCTE-UHFFFAOYSA-N -1 3 311.385 2.813 20 0 DFADHM CC(C)CCC[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000431581280 429770709 /nfs/dbraw/zinc/77/07/09/429770709.db2.gz YPLJJGRSAJCMTP-FQEVSTJZSA-N -1 3 310.341 2.886 20 0 DFADHM CCN1CCc2c(cccc2NC(=O)/C=C/c2cncc([O-])c2)C1 ZINC000368033717 429772306 /nfs/dbraw/zinc/77/23/06/429772306.db2.gz BHTRHWGTRNBMSI-VOTSOKGWSA-N -1 3 323.396 2.817 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000368049166 429774995 /nfs/dbraw/zinc/77/49/95/429774995.db2.gz SPPCDJOWEAATGQ-RGDDUWESSA-N -1 3 316.401 2.799 20 0 DFADHM COCCN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CC[C@@H](C)C1 ZINC000451154909 429776960 /nfs/dbraw/zinc/77/69/60/429776960.db2.gz OAXWRAAJBWFTPL-TZMCWYRMSA-N -1 3 309.381 2.737 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)c1 ZINC000451224635 429790401 /nfs/dbraw/zinc/79/04/01/429790401.db2.gz DOZVPJWFJUNVJL-LBPRGKRZSA-N -1 3 309.412 2.728 20 0 DFADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1C[C@@]12CCOC2 ZINC000368129751 429793313 /nfs/dbraw/zinc/79/33/13/429793313.db2.gz UKURBKRINNDTHA-TVQRCGJNSA-N -1 3 301.264 2.776 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@@]12CCOC2 ZINC000368130023 429794312 /nfs/dbraw/zinc/79/43/12/429794312.db2.gz XXZJLBXMSBQAHR-NOZJJQNGSA-N -1 3 312.163 2.520 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000451246252 429794509 /nfs/dbraw/zinc/79/45/09/429794509.db2.gz VMQIYGHMHQQEDQ-ZIAGYGMSSA-N -1 3 307.440 2.966 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C2(C)Cc3ccccc3C2)c1 ZINC000451356637 429814988 /nfs/dbraw/zinc/81/49/88/429814988.db2.gz BLYANUOPWSZNFO-UHFFFAOYSA-N -1 3 307.440 2.892 20 0 DFADHM Cn1ccnc1[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000368252615 429816819 /nfs/dbraw/zinc/81/68/19/429816819.db2.gz YTZDRDGDTHHDRI-ZDUSSCGKSA-N -1 3 305.765 2.756 20 0 DFADHM Cc1ccccc1-c1nc(=N[C@H]2CCN(C)[C@H](C)C2)s[n-]1 ZINC000527902879 429817648 /nfs/dbraw/zinc/81/76/48/429817648.db2.gz HJNVSXAHJQHNPR-OLZOCXBDSA-N -1 3 302.447 2.830 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000451369686 429819210 /nfs/dbraw/zinc/81/92/10/429819210.db2.gz BSEHXAXYLBXZAV-NEPJUHHUSA-N -1 3 303.449 2.538 20 0 DFADHM CCc1cnccc1C[N-]S(=O)(=O)c1sccc1Cl ZINC000451383690 429820535 /nfs/dbraw/zinc/82/05/35/429820535.db2.gz LSSBJEMHACZKSU-UHFFFAOYSA-N -1 3 316.835 2.837 20 0 DFADHM CCC[C@H](CC)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000368276533 429822999 /nfs/dbraw/zinc/82/29/99/429822999.db2.gz KPWFTQNJHOCMMO-ZFWWWQNUSA-N -1 3 318.417 2.692 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@@H](c3ccnn3C)C2)ccc1[O-] ZINC000368300327 429827372 /nfs/dbraw/zinc/82/73/72/429827372.db2.gz XDIGTGGZSIMUJT-OAHLLOKOSA-N -1 3 313.401 2.708 20 0 DFADHM Cn1nccc1[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000451427475 429828057 /nfs/dbraw/zinc/82/80/57/429828057.db2.gz JCKHSWYXWCARHP-OAHLLOKOSA-N -1 3 317.364 2.561 20 0 DFADHM Cc1nn(C)cc1CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000451482345 429834255 /nfs/dbraw/zinc/83/42/55/429834255.db2.gz VSUCFEHJBBWSHK-UHFFFAOYSA-N -1 3 301.390 2.913 20 0 DFADHM O=c1[n-]nc(SCCc2ccccc2F)n1C[C@H]1CCCO1 ZINC000432724443 429835970 /nfs/dbraw/zinc/83/59/70/429835970.db2.gz GBQBSGINMCPLKV-GFCCVEGCSA-N -1 3 323.393 2.637 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2cccc(COC(C)C)c2)c[n-]1 ZINC000432773690 429838689 /nfs/dbraw/zinc/83/86/89/429838689.db2.gz IXNGLEZISSQUPB-UHFFFAOYSA-N -1 3 316.357 2.979 20 0 DFADHM COc1cccc(C2(CNC(=O)/C=C\c3cncc([O-])c3)CC2)c1 ZINC000493848114 429841902 /nfs/dbraw/zinc/84/19/02/429841902.db2.gz DCIDPVMPKXLKCY-WAYWQWQTSA-N -1 3 324.380 2.657 20 0 DFADHM COc1cc(/C=C/C(=O)[N-]OC2CCC2)cc(Cl)c1OC ZINC000493857090 429843285 /nfs/dbraw/zinc/84/32/85/429843285.db2.gz MOUBQOYJQNTIRM-VOTSOKGWSA-N -1 3 311.765 2.971 20 0 DFADHM CCO[N-]C(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC000494141219 429857273 /nfs/dbraw/zinc/85/72/73/429857273.db2.gz IEILCRBNFPNBSW-NHYWBVRUSA-N -1 3 300.399 2.528 20 0 DFADHM CCC(CC)(C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F)OC ZINC000451578885 429857665 /nfs/dbraw/zinc/85/76/65/429857665.db2.gz JBZYPRZDQOMXJJ-LLVKDONJSA-N -1 3 313.410 2.546 20 0 DFADHM CCOc1nc2cc(C(=O)NCC3(C(F)F)CC3)ccc2[n-]1 ZINC000451317353 429809454 /nfs/dbraw/zinc/80/94/54/429809454.db2.gz VESTYKUUZSJSQI-UHFFFAOYSA-N -1 3 309.316 2.737 20 0 DFADHM CCOc1nc2ccc(C(=O)NCC3(C(F)F)CC3)cc2[n-]1 ZINC000451317353 429809456 /nfs/dbraw/zinc/80/94/56/429809456.db2.gz VESTYKUUZSJSQI-UHFFFAOYSA-N -1 3 309.316 2.737 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)c1 ZINC000451327273 429811748 /nfs/dbraw/zinc/81/17/48/429811748.db2.gz GIYXHEYOOHZDTA-OLZOCXBDSA-N -1 3 317.476 2.666 20 0 DFADHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)O1 ZINC000494366735 429868289 /nfs/dbraw/zinc/86/82/89/429868289.db2.gz IWVWDBMBCZLSNQ-LLVKDONJSA-N -1 3 321.801 2.715 20 0 DFADHM C[C@H]([N-]c1nnc(C(F)F)o1)c1ccc(-n2cccn2)cc1 ZINC000432314790 429813141 /nfs/dbraw/zinc/81/31/41/429813141.db2.gz WWWPKSARBRDBSD-VIFPVBQESA-N -1 3 305.288 3.366 20 0 DFADHM Fc1cccc2nc([N-]c3cnn(C[C@@H]4CCCO4)c3)oc21 ZINC000623872947 429928333 /nfs/dbraw/zinc/92/83/33/429928333.db2.gz SVQLTUIERAMXAC-NSHDSACASA-N -1 3 302.309 3.086 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCOC2)sc1Cl ZINC000528451005 429890206 /nfs/dbraw/zinc/89/02/06/429890206.db2.gz RHFDHEMJGGKLCV-SNVBAGLBSA-N -1 3 323.867 2.805 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000528453847 429890310 /nfs/dbraw/zinc/89/03/10/429890310.db2.gz UBWCUVWFMHBEQU-MXWKQRLJSA-N -1 3 301.358 2.679 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)o1 ZINC000528467903 429891425 /nfs/dbraw/zinc/89/14/25/429891425.db2.gz ZHOWGWJYIQYUGM-VHDGCEQUSA-N -1 3 323.801 2.858 20 0 DFADHM CO[C@@H](CNC(C)(C)c1nc(C)cc(=O)[n-]1)c1ccc(F)cc1 ZINC000528521147 429896447 /nfs/dbraw/zinc/89/64/47/429896447.db2.gz RKOVFGJSEDEMND-AWEZNQCLSA-N -1 3 319.380 2.842 20 0 DFADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000528546572 429898714 /nfs/dbraw/zinc/89/87/14/429898714.db2.gz HCJQZEXYJROQHO-LOKDSWTASA-N -1 3 321.801 2.569 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2[C@H](C3CC3)[C@@H]2C)c1 ZINC000528663150 429905430 /nfs/dbraw/zinc/90/54/30/429905430.db2.gz RLBJBGJWKIYAMX-NZVBXONLSA-N -1 3 322.430 2.597 20 0 DFADHM Cc1noc([C@@H](NC(=O)c2cccc(C)c2[O-])c2ccccc2)n1 ZINC000368989880 429905583 /nfs/dbraw/zinc/90/55/83/429905583.db2.gz CYEHNCXTLNTRGA-HNNXBMFYSA-N -1 3 323.352 2.911 20 0 DFADHM Cc1nn(C)cc1[C@H](C)[N-]c1nc(-c2ccc(F)cc2)no1 ZINC000623934451 429928985 /nfs/dbraw/zinc/92/89/85/429928985.db2.gz SRGGWRIVOZSULE-VIFPVBQESA-N -1 3 301.325 3.091 20 0 DFADHM Cc1noc([C@@H](NC(=O)c2cc(C)ccc2[O-])c2ccccc2)n1 ZINC000369116033 429913444 /nfs/dbraw/zinc/91/34/44/429913444.db2.gz IPRYOXBENWMVLL-INIZCTEOSA-N -1 3 323.352 2.911 20 0 DFADHM CC(C)Cn1ccnc1C[N-]c1nc(-c2ccc(F)cc2)no1 ZINC000623993517 429929080 /nfs/dbraw/zinc/92/90/80/429929080.db2.gz URCJWYSMKHQULF-UHFFFAOYSA-N -1 3 315.352 3.340 20 0 DFADHM O=S(=O)([N-]Cc1ccc(C2CCC2)cc1)c1cncc(F)c1 ZINC000494435917 429873072 /nfs/dbraw/zinc/87/30/72/429873072.db2.gz JSHGEOAEHXSXEZ-UHFFFAOYSA-N -1 3 320.389 2.967 20 0 DFADHM COc1cccc2c(C(=O)Nc3ccc4c(c3)N(C)CC4)[n-]nc21 ZINC000558422930 429971983 /nfs/dbraw/zinc/97/19/83/429971983.db2.gz VVDYYXKJGSVYRR-UHFFFAOYSA-N -1 3 322.368 2.816 20 0 DFADHM COc1cccc2c(C(=O)Nc3ccc4c(c3)N(C)CC4)n[n-]c21 ZINC000558422930 429971986 /nfs/dbraw/zinc/97/19/86/429971986.db2.gz VVDYYXKJGSVYRR-UHFFFAOYSA-N -1 3 322.368 2.816 20 0 DFADHM NC(=O)Nc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000558470796 429975264 /nfs/dbraw/zinc/97/52/64/429975264.db2.gz OBBFCANFZLYFNP-UHFFFAOYSA-N -1 3 305.721 2.789 20 0 DFADHM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000573727661 429976250 /nfs/dbraw/zinc/97/62/50/429976250.db2.gz DFDIFIAWEOAGGC-TXEJJXNPSA-N -1 3 314.389 2.594 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCS[C@@H](c2ccccc2)C1 ZINC000369379683 429934258 /nfs/dbraw/zinc/93/42/58/429934258.db2.gz NWGMEVJMSLCVKL-GFCCVEGCSA-N -1 3 306.412 2.779 20 0 DFADHM COc1nc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)n[n-]1 ZINC000528947065 429940179 /nfs/dbraw/zinc/94/01/79/429940179.db2.gz LTAGVAPFCANYFD-UHFFFAOYSA-N -1 3 322.315 2.542 20 0 DFADHM COc1nnc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)[n-]1 ZINC000528947065 429940184 /nfs/dbraw/zinc/94/01/84/429940184.db2.gz LTAGVAPFCANYFD-UHFFFAOYSA-N -1 3 322.315 2.542 20 0 DFADHM COc1n[n-]c(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)n1 ZINC000528947065 429940186 /nfs/dbraw/zinc/94/01/86/429940186.db2.gz LTAGVAPFCANYFD-UHFFFAOYSA-N -1 3 322.315 2.542 20 0 DFADHM Cc1nnc([C@H]2CC23CCN(Cc2nc(C)ccc2[O-])CC3)o1 ZINC000369418602 429940723 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O=C([O-])[C@H]1CCCN(Cc2cnc(-c3ccccn3)s2)C1 ZINC000635322431 430255077 /nfs/dbraw/zinc/25/50/77/430255077.db2.gz STFHGMCIXBCARH-NSHDSACASA-N -1 3 303.387 2.502 20 0 DFADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCO[C@@H](C4CC4)C3)c2c1 ZINC000582005641 430259938 /nfs/dbraw/zinc/25/99/38/430259938.db2.gz DDFRAMCCZJAATI-MRXNPFEDSA-N -1 3 312.369 2.857 20 0 DFADHM O=C(Cc1ccn(-c2ccccc2)n1)Nc1ccc([O-])cc1F ZINC000543954265 430268915 /nfs/dbraw/zinc/26/89/15/430268915.db2.gz KMTFMHLSDRANNW-UHFFFAOYSA-N -1 3 311.316 2.898 20 0 DFADHM CC(C)(C)n1cnc([N-]C(=O)c2cc3sccc3s2)n1 ZINC000544107822 430272478 /nfs/dbraw/zinc/27/24/78/430272478.db2.gz VPSLQCDGBFGNAF-UHFFFAOYSA-N -1 3 306.416 3.562 20 0 DFADHM Cc1ncc(CNC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c(=O)[n-]1 ZINC000544134607 430274465 /nfs/dbraw/zinc/27/44/65/430274465.db2.gz MDDKUZYMGSOWSG-MFKMUULPSA-N -1 3 306.410 2.505 20 0 DFADHM CCc1cccc(-c2nc(Cc3cccc(C(N)=O)c3)no2)c1[O-] ZINC000544269911 430277374 /nfs/dbraw/zinc/27/73/74/430277374.db2.gz LGUNTMNWVTUVGT-UHFFFAOYSA-N -1 3 323.352 2.694 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3C[C@@H](C)S[C@H](C)C3)c(=O)c2c1 ZINC000544390057 430281852 /nfs/dbraw/zinc/28/18/52/430281852.db2.gz DUIHBTWWNXNKGJ-VXGBXAGGSA-N -1 3 316.426 2.803 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCSC12CCCCC2 ZINC000581617465 430227289 /nfs/dbraw/zinc/22/72/89/430227289.db2.gz STKBJAVXAAGNLB-UHFFFAOYSA-N -1 3 320.393 2.946 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCSC12CCCCC2 ZINC000581617465 430227293 /nfs/dbraw/zinc/22/72/93/430227293.db2.gz STKBJAVXAAGNLB-UHFFFAOYSA-N -1 3 320.393 2.946 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCSC12CCCCC2 ZINC000581617465 430227299 /nfs/dbraw/zinc/22/72/99/430227299.db2.gz STKBJAVXAAGNLB-UHFFFAOYSA-N -1 3 320.393 2.946 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000581648120 430228849 /nfs/dbraw/zinc/22/88/49/430228849.db2.gz CRNPPYFQKYAMNT-CSMYWGQOSA-N -1 3 319.376 2.538 20 0 DFADHM CC(C)Oc1ccc(CCNC(=O)c2ccc(O)cc2[O-])cc1 ZINC000542820306 430228951 /nfs/dbraw/zinc/22/89/51/430228951.db2.gz SKMSZAPQNPEEEN-UHFFFAOYSA-N -1 3 315.369 2.858 20 0 DFADHM CC(C)CN(CCC(=O)[O-])Cc1csc(-c2ncccn2)n1 ZINC000581731522 430236355 /nfs/dbraw/zinc/23/63/55/430236355.db2.gz DYTUZZWBUSBJAU-UHFFFAOYSA-N -1 3 320.418 2.533 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccoc1C1CC1 ZINC000543114975 430236472 /nfs/dbraw/zinc/23/64/72/430236472.db2.gz SFYSRZHKBPBSCD-UHFFFAOYSA-N -1 3 303.318 2.618 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccoc1C1CC1 ZINC000543114975 430236474 /nfs/dbraw/zinc/23/64/74/430236474.db2.gz SFYSRZHKBPBSCD-UHFFFAOYSA-N -1 3 303.318 2.618 20 0 DFADHM CCc1cccc(C(=O)N(CCO)Cc2ccc(C)cc2)c1[O-] ZINC000543112019 430236722 /nfs/dbraw/zinc/23/67/22/430236722.db2.gz MQUHCQNXJOIIKZ-UHFFFAOYSA-N -1 3 313.397 2.898 20 0 DFADHM Cc1[nH]c2ccc(CNC(=O)c3cccc4nn[n-]c43)cc2c1C ZINC000581764523 430237906 /nfs/dbraw/zinc/23/79/06/430237906.db2.gz BGIQZGFYCNZOKS-UHFFFAOYSA-N -1 3 319.368 2.986 20 0 DFADHM Cc1[nH]c2ccc(CNC(=O)c3cccc4[n-]nnc43)cc2c1C ZINC000581764523 430237913 /nfs/dbraw/zinc/23/79/13/430237913.db2.gz BGIQZGFYCNZOKS-UHFFFAOYSA-N -1 3 319.368 2.986 20 0 DFADHM Cc1[nH]c2ccc(CNC(=O)c3cccc4n[n-]nc43)cc2c1C ZINC000581764523 430237917 /nfs/dbraw/zinc/23/79/17/430237917.db2.gz BGIQZGFYCNZOKS-UHFFFAOYSA-N -1 3 319.368 2.986 20 0 DFADHM C[C@@H](O)[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000544554147 430287074 /nfs/dbraw/zinc/28/70/74/430287074.db2.gz WKPQNZLGLBSVKW-OCCSQVGLSA-N -1 3 303.402 2.504 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(C)cc2Cl)C1 ZINC000567905864 430293659 /nfs/dbraw/zinc/29/36/59/430293659.db2.gz UOENCRJOEPGMCM-MRXNPFEDSA-N -1 3 311.809 2.962 20 0 DFADHM C[C@H]1CCN(CCOc2ccc(F)cc2Cl)C[C@H]1C(=O)[O-] ZINC000567988470 430301485 /nfs/dbraw/zinc/30/14/85/430301485.db2.gz FUSRMUBJJHPBPA-CMPLNLGQSA-N -1 3 315.772 2.901 20 0 DFADHM O=C([O-])c1ccc(CN2CC3(CCC3)[C@@H]3COC[C@H]32)cc1F ZINC000582432390 430301621 /nfs/dbraw/zinc/30/16/21/430301621.db2.gz XEZJWVAPTOKWPG-UKRRQHHQSA-N -1 3 305.349 2.525 20 0 DFADHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000568033501 430307345 /nfs/dbraw/zinc/30/73/45/430307345.db2.gz OLRNVJIKNWMDDY-CABZTGNLSA-N -1 3 323.817 2.555 20 0 DFADHM O=C(c1cc(F)c[n-]c1=O)N1CCSC[C@@H]1c1ccccc1 ZINC000635571173 430310556 /nfs/dbraw/zinc/31/05/56/430310556.db2.gz DOWUVRNOQQRFBQ-CQSZACIVSA-N -1 3 318.373 2.857 20 0 DFADHM C[C@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@H](C)C(=O)[O-] ZINC000568059462 430311151 /nfs/dbraw/zinc/31/11/51/430311151.db2.gz AMYNVYVCXHQICS-STQMWFEESA-N -1 3 313.401 2.560 20 0 DFADHM CC(C)CN(CC(=O)[O-])Cc1ccn(-c2ccc(F)cc2)n1 ZINC000568067397 430312948 /nfs/dbraw/zinc/31/29/48/430312948.db2.gz UJAWVIIBXGFIDN-UHFFFAOYSA-N -1 3 305.353 2.554 20 0 DFADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cn2cccnc2n1 ZINC000545332400 430316914 /nfs/dbraw/zinc/31/69/14/430316914.db2.gz JVLGIGGVMNOVRQ-UHFFFAOYSA-N -1 3 319.324 2.945 20 0 DFADHM CCCc1cc(N2CCO[C@@H](CC(=O)[O-])C2)c2ccccc2n1 ZINC000582669098 430321615 /nfs/dbraw/zinc/32/16/15/430321615.db2.gz ZZPBXMFHNWQSPM-AWEZNQCLSA-N -1 3 314.385 2.867 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000582674747 430323582 /nfs/dbraw/zinc/32/35/82/430323582.db2.gz WRULGEHMUNVAQX-JTQLQIEISA-N -1 3 319.336 2.543 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000582674747 430323585 /nfs/dbraw/zinc/32/35/85/430323585.db2.gz WRULGEHMUNVAQX-JTQLQIEISA-N -1 3 319.336 2.543 20 0 DFADHM CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000582725243 430329073 /nfs/dbraw/zinc/32/90/73/430329073.db2.gz JRWCHQVCYIHDDZ-MRXNPFEDSA-N -1 3 318.417 2.769 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)Cc2ccsc2)s1 ZINC000545891459 430332070 /nfs/dbraw/zinc/33/20/70/430332070.db2.gz NQGMQJXSNUVOOE-SECBINFHSA-N -1 3 316.473 2.677 20 0 DFADHM COC1([C@H](C(=O)[O-])N(C)Cc2cc(Cl)ccc2F)CCC1 ZINC000583636005 430414983 /nfs/dbraw/zinc/41/49/83/430414983.db2.gz DMTGYBXNDXUDRC-ZDUSSCGKSA-N -1 3 315.772 2.933 20 0 DFADHM O=c1[nH]cccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000569034596 430416281 /nfs/dbraw/zinc/41/62/81/430416281.db2.gz CRKIBPYNJGFPKX-UHFFFAOYSA-N -1 3 319.169 2.895 20 0 DFADHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000568404021 430357279 /nfs/dbraw/zinc/35/72/79/430357279.db2.gz AWAJACRRSAUVGM-GXFFZTMASA-N -1 3 304.321 2.776 20 0 DFADHM Cc1ccccc1[C@@H](CC(C)C)N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000546887296 430373121 /nfs/dbraw/zinc/37/31/21/430373121.db2.gz OYWZUGOCRDTKGN-CQSZACIVSA-N -1 3 310.405 2.816 20 0 DFADHM CO[C@H]1C[C@@H](C(=O)[O-])N(Cc2c(C)c(C)c(C)c(C)c2C)C1 ZINC000568641301 430376957 /nfs/dbraw/zinc/37/69/57/430376957.db2.gz IKDLSSJIKDOERD-RDJZCZTQSA-N -1 3 305.418 2.903 20 0 DFADHM Cc1cc(C[N-]S(=O)(=O)CC[C@H]2CCc3ccccc32)on1 ZINC000641299432 430378589 /nfs/dbraw/zinc/37/85/89/430378589.db2.gz UBXHAJDYMHWWAD-CQSZACIVSA-N -1 3 320.414 2.523 20 0 DFADHM O=C([O-])[C@@H](c1cccnc1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000568664725 430381952 /nfs/dbraw/zinc/38/19/52/430381952.db2.gz RKPPCEQTYIEPFY-IEBWSBKVSA-N -1 3 324.380 2.677 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)c1nc(C)cs1 ZINC000641317981 430382486 /nfs/dbraw/zinc/38/24/86/430382486.db2.gz DNYVSYGSBYJILW-GXSJLCMTSA-N -1 3 324.418 2.867 20 0 DFADHM CC(C)c1cc(C[N-]S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)on1 ZINC000641332967 430385212 /nfs/dbraw/zinc/38/52/12/430385212.db2.gz WLPOYLZKBSMBHE-LLVKDONJSA-N -1 3 322.377 2.509 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)s1 ZINC000641374138 430391025 /nfs/dbraw/zinc/39/10/25/430391025.db2.gz ZCXLOWGBCOSVDC-DTWKUNHWSA-N -1 3 324.418 2.723 20 0 DFADHM CCC1CCC(N(C)C(=O)c2c[n-]c3ccncc3c2=O)CC1 ZINC000583426967 430393216 /nfs/dbraw/zinc/39/32/16/430393216.db2.gz GSBCNBXXGUVNEB-UHFFFAOYSA-N -1 3 313.401 2.964 20 0 DFADHM CC(C)(COCc1ccccc1)NC(=O)c1cccc2nn[n-]c21 ZINC000547422315 430393280 /nfs/dbraw/zinc/39/32/80/430393280.db2.gz DLJZRBJHOHSHQQ-UHFFFAOYSA-N -1 3 324.384 2.683 20 0 DFADHM CC(C)(COCc1ccccc1)NC(=O)c1cccc2[n-]nnc21 ZINC000547422315 430393286 /nfs/dbraw/zinc/39/32/86/430393286.db2.gz DLJZRBJHOHSHQQ-UHFFFAOYSA-N -1 3 324.384 2.683 20 0 DFADHM CC(C)(COCc1ccccc1)NC(=O)c1cccc2n[n-]nc21 ZINC000547422315 430393290 /nfs/dbraw/zinc/39/32/90/430393290.db2.gz DLJZRBJHOHSHQQ-UHFFFAOYSA-N -1 3 324.384 2.683 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000547429668 430393348 /nfs/dbraw/zinc/39/33/48/430393348.db2.gz VUPKRAKFOMQSAL-GFCCVEGCSA-N -1 3 314.370 2.702 20 0 DFADHM CC[C@H]1CN(Cc2ncccc2[O-])CCN1Cc1ccccc1 ZINC000568814337 430393589 /nfs/dbraw/zinc/39/35/89/430393589.db2.gz CVNMKAHFYMGQPD-KRWDZBQOSA-N -1 3 311.429 2.884 20 0 DFADHM O=C1C[C@H](NCc2cc([O-])cc(F)c2)CN1C1CCCCC1 ZINC000547449041 430394289 /nfs/dbraw/zinc/39/42/89/430394289.db2.gz SUMYWEZELQCMEX-AWEZNQCLSA-N -1 3 306.381 2.555 20 0 DFADHM C[C@@H]1CN(CCOc2ccc(F)cc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000568873578 430399886 /nfs/dbraw/zinc/39/98/86/430399886.db2.gz AWFPQZYGSLLPGY-MEBBXXQBSA-N -1 3 315.772 2.901 20 0 DFADHM O=C(Cc1cncc([O-])c1)NCc1cc(C2CC2)ccc1F ZINC000568880558 430402589 /nfs/dbraw/zinc/40/25/89/430402589.db2.gz JFLAQWYNUCOUFU-UHFFFAOYSA-N -1 3 300.333 2.663 20 0 DFADHM O=C(Nc1cnn(-c2ccccn2)c1)c1cc([O-])ccc1Cl ZINC000583514613 430403256 /nfs/dbraw/zinc/40/32/56/430403256.db2.gz HCCMIQATJXVKDA-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1[O-] ZINC000568914438 430406283 /nfs/dbraw/zinc/40/62/83/430406283.db2.gz CMIGPWGLMOGZFN-AWEZNQCLSA-N -1 3 317.385 2.816 20 0 DFADHM CCn1ncc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc21 ZINC000568912059 430406537 /nfs/dbraw/zinc/40/65/37/430406537.db2.gz LIFILTWASYEDON-UHFFFAOYSA-N -1 3 323.356 2.682 20 0 DFADHM CCn1cc(N(CC(C)C)C(=O)Cc2ccc([O-])c(F)c2)cn1 ZINC000636001082 430434851 /nfs/dbraw/zinc/43/48/51/430434851.db2.gz LXAKQURRYFURGD-UHFFFAOYSA-N -1 3 319.380 2.979 20 0 DFADHM O=C(NCC[C@H]1CCc2ccccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000569257520 430436416 /nfs/dbraw/zinc/43/64/16/430436416.db2.gz BMXIZEZTRWZQTD-CYBMUJFWSA-N -1 3 323.396 2.910 20 0 DFADHM O=C([O-])c1csc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)n1 ZINC000569251587 430437993 /nfs/dbraw/zinc/43/79/93/430437993.db2.gz RHODBXDSCZFIGG-YPMHNXCESA-N -1 3 322.430 2.622 20 0 DFADHM CCOc1cc(F)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583881008 430439112 /nfs/dbraw/zinc/43/91/12/430439112.db2.gz PNCULGNGQIBTPM-UHFFFAOYSA-N -1 3 317.320 2.850 20 0 DFADHM COCC1(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)CC1 ZINC000641684441 430441599 /nfs/dbraw/zinc/44/15/99/430441599.db2.gz JIWWAISSXBVANL-UHFFFAOYSA-N -1 3 323.336 2.712 20 0 DFADHM COc1cc([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2OC)ccc1F ZINC000641684863 430442104 /nfs/dbraw/zinc/44/21/04/430442104.db2.gz BURZYAXTXHDMIX-GXTWGEPZSA-N -1 3 317.382 2.534 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H](CCO)CC1 ZINC000583928294 430442996 /nfs/dbraw/zinc/44/29/96/430442996.db2.gz LNWWDEZTHFDMQH-CQSZACIVSA-N -1 3 317.429 2.896 20 0 DFADHM O=S(=O)(CCC1CC1)Nc1cccc([O-])c1Br ZINC000641693754 430443683 /nfs/dbraw/zinc/44/36/83/430443683.db2.gz XDOVMRRRYLETOE-UHFFFAOYSA-N 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431728785 /nfs/dbraw/zinc/72/87/85/431728785.db2.gz IQJKDMBEDCTQQY-LSDHHAIUSA-N -1 3 313.419 2.532 20 0 DFADHM CCC(C)(C)[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000664319410 431735140 /nfs/dbraw/zinc/73/51/40/431735140.db2.gz JQVBPWPYDSKLLN-VIFPVBQESA-N -1 3 303.362 2.516 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC[C@H](c3ccccn3)C2)on1 ZINC000647949660 431742805 /nfs/dbraw/zinc/74/28/05/431742805.db2.gz FUDZFAPUBSBSQR-KGLIPLIRSA-N -1 3 314.389 2.585 20 0 DFADHM C[C@H]1C[C@@H](NCc2cccc([O-])c2Br)c2ncnn21 ZINC000657568674 431813425 /nfs/dbraw/zinc/81/34/25/431813425.db2.gz ITXUREJZBDRSBY-WCBMZHEXSA-N -1 3 323.194 2.542 20 0 DFADHM C[C@@H]1C[C@H](NCc2cccc([O-])c2Br)c2ncnn21 ZINC000657568672 431813830 /nfs/dbraw/zinc/81/38/30/431813830.db2.gz ITXUREJZBDRSBY-SCZZXKLOSA-N -1 3 323.194 2.542 20 0 DFADHM O=C(NCCCCc1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654421533 431784036 /nfs/dbraw/zinc/78/40/36/431784036.db2.gz MJGNMIKCDQEVQY-UHFFFAOYSA-N -1 3 311.385 2.812 20 0 DFADHM CCOc1ccc(C[C@@H](C)C(=O)Nc2nnc(SC)[n-]2)cc1 ZINC000664582095 431822995 /nfs/dbraw/zinc/82/29/95/431822995.db2.gz NHNKBDQVOPABQF-SNVBAGLBSA-N -1 3 320.418 2.743 20 0 DFADHM CCOc1ccc(C[C@@H](C)C(=O)Nc2nc(SC)n[n-]2)cc1 ZINC000664582095 431822999 /nfs/dbraw/zinc/82/29/99/431822999.db2.gz NHNKBDQVOPABQF-SNVBAGLBSA-N -1 3 320.418 2.743 20 0 DFADHM CCOc1ccc(C[C@@H](C)C(=O)Nc2n[n-]c(SC)n2)cc1 ZINC000664582095 431823002 /nfs/dbraw/zinc/82/30/02/431823002.db2.gz NHNKBDQVOPABQF-SNVBAGLBSA-N -1 3 320.418 2.743 20 0 DFADHM CCO[C@H]1C[C@H](NCc2cccc([O-])c2Br)C1 ZINC000657610424 431824454 /nfs/dbraw/zinc/82/44/54/431824454.db2.gz BFNVEBCPFYQXRJ-XYPYZODXSA-N -1 3 300.196 2.812 20 0 DFADHM CC1(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)CCCC1 ZINC000329350153 280853935 /nfs/dbraw/zinc/85/39/35/280853935.db2.gz DEJQWLHJIPTVSU-ZBEGNZNMSA-N -1 3 307.394 2.591 20 0 DFADHM CC1(C)COCCN1Cc1cc([O-])ccc1Br ZINC000133551470 281286772 /nfs/dbraw/zinc/28/67/72/281286772.db2.gz PCDMYWLUFYPTMV-UHFFFAOYSA-N -1 3 300.196 2.766 20 0 DFADHM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000263678609 281364546 /nfs/dbraw/zinc/36/45/46/281364546.db2.gz GPFRPQKIBCNBLK-CQSZACIVSA-N -1 3 306.369 2.896 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000329952866 281655059 /nfs/dbraw/zinc/65/50/59/281655059.db2.gz IZUUYWUVYLDMND-HZSPNIEDSA-N -1 3 311.451 2.540 20 0 DFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(F)cc(F)c1 ZINC000078777036 281844829 /nfs/dbraw/zinc/84/48/29/281844829.db2.gz GRKHVHPMDCCNIP-UHFFFAOYSA-N -1 3 321.327 2.906 20 0 DFADHM COc1ccc(C(=O)NCc2ccc(C)cc2OC)c([O-])c1 ZINC000153681045 289055187 /nfs/dbraw/zinc/05/51/87/289055187.db2.gz TWLDCLZWDUTEGK-UHFFFAOYSA-N -1 3 301.342 2.648 20 0 DFADHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccncc1[O-] ZINC000153829661 289062177 /nfs/dbraw/zinc/06/21/77/289062177.db2.gz KKCPYMWEYHJEGJ-UHFFFAOYSA-N -1 3 322.368 2.771 20 0 DFADHM CCc1nc(=NC[C@H]2CCN(C)[C@H]2c2cccs2)s[n-]1 ZINC000363352997 289081830 /nfs/dbraw/zinc/08/18/30/289081830.db2.gz QPIUDIHQSBTTDO-ZWNOBZJWSA-N -1 3 308.476 2.689 20 0 DFADHM O=C(CN1c2ccsc2CCCC1=O)Nc1ccccc1[O-] ZINC000363392098 289087104 /nfs/dbraw/zinc/08/71/04/289087104.db2.gz DCPHHEYUIAUMDO-UHFFFAOYSA-N -1 3 316.382 2.762 20 0 DFADHM C[C@H](CO)N(CC1CCC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000435857606 296976977 /nfs/dbraw/zinc/97/69/77/296976977.db2.gz WCTREJSVFFLQGD-CYBMUJFWSA-N -1 3 323.408 2.864 20 0 DFADHM O=c1cc(CSc2nnc(C(F)(F)F)s2)occ1[O-] ZINC000436054063 296985039 /nfs/dbraw/zinc/98/50/39/296985039.db2.gz GRNAOHYTAYJULO-UHFFFAOYSA-N -1 3 310.278 2.508 20 0 DFADHM O=C([N-]c1nnc(C(F)F)s1)c1c[nH]nc1-c1ccoc1 ZINC000436441613 297003832 /nfs/dbraw/zinc/00/38/32/297003832.db2.gz HISMFYOUXBANCS-UHFFFAOYSA-N -1 3 311.273 2.711 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(N3CCC3=O)cc2)c([O-])c1C ZINC000436483160 297005652 /nfs/dbraw/zinc/00/56/52/297005652.db2.gz BQQCLWOAHBZCMX-UHFFFAOYSA-N -1 3 310.353 2.998 20 0 DFADHM Cc1ccc(C(=O)NC[C@H](CO)Cc2ccccc2)c([O-])c1C ZINC000436531042 297009910 /nfs/dbraw/zinc/00/99/10/297009910.db2.gz RYYRVLGUECOSIV-MRXNPFEDSA-N -1 3 313.397 2.590 20 0 DFADHM O=C(NCCN1CCC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436494725 297006689 /nfs/dbraw/zinc/00/66/89/297006689.db2.gz IIHZYFGMHYONQC-UHFFFAOYSA-N -1 3 324.424 2.613 20 0 DFADHM Cc1cc(F)cc2c1CN(C(=O)c1c([O-])cccc1O)CC2 ZINC000436514908 297008369 /nfs/dbraw/zinc/00/83/69/297008369.db2.gz QBOHCUHFAYNXMU-UHFFFAOYSA-N -1 3 301.317 2.744 20 0 DFADHM CN(C)CCN(C(=O)c1cc(F)c([O-])c(F)c1)C1CCCC1 ZINC000436523232 297008865 /nfs/dbraw/zinc/00/88/65/297008865.db2.gz QZWKVDDHPFNNGW-UHFFFAOYSA-N -1 3 312.360 2.617 20 0 DFADHM COc1ccc(C(=O)N[C@H]2CSc3ccccc32)c([O-])c1 ZINC000436528894 297009428 /nfs/dbraw/zinc/00/94/28/297009428.db2.gz MURGGAKHQIGJGH-ZDUSSCGKSA-N -1 3 301.367 2.978 20 0 DFADHM C[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCCC[C@@H]1C ZINC000436529238 297009487 /nfs/dbraw/zinc/00/94/87/297009487.db2.gz KJWKQTZGTUSTKF-QWRGUYRKSA-N -1 3 312.360 2.663 20 0 DFADHM CC(C)(C)C[C@@H](O)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436529331 297009535 /nfs/dbraw/zinc/00/95/35/297009535.db2.gz NUJLVHRYKMIMNE-GFCCVEGCSA-N -1 3 321.417 2.633 20 0 DFADHM CCN(CC)[C@H](CNC(=O)c1cc(F)ccc1[O-])c1ccco1 ZINC000436537850 297010063 /nfs/dbraw/zinc/01/00/63/297010063.db2.gz GIIZALRQCOAMMY-CQSZACIVSA-N -1 3 320.364 2.937 20 0 DFADHM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1cccc(C)c1[O-] ZINC000436535372 297010242 /nfs/dbraw/zinc/01/02/42/297010242.db2.gz KEAQXRHHHQIHGC-OAHLLOKOSA-N -1 3 313.353 2.687 20 0 DFADHM O=C(NCCN1CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000436532143 297010253 /nfs/dbraw/zinc/01/02/53/297010253.db2.gz VMIJDZWWJPOVHV-UHFFFAOYSA-N -1 3 317.216 2.915 20 0 DFADHM CC[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@H](C)O1 ZINC000436542193 297010667 /nfs/dbraw/zinc/01/06/67/297010667.db2.gz ADNIWDCNVMZKDQ-WFASDCNBSA-N -1 3 303.402 2.911 20 0 DFADHM CCSc1nnc(NC(=O)c2cc(OC)ccc2[O-])s1 ZINC000436546353 297010919 /nfs/dbraw/zinc/01/09/19/297010919.db2.gz ODSRLKUIZVYMNG-UHFFFAOYSA-N -1 3 311.388 2.617 20 0 DFADHM CCN(C)CCNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436550779 297011787 /nfs/dbraw/zinc/01/17/87/297011787.db2.gz USJVPUGATHKFJM-UHFFFAOYSA-N -1 3 306.793 2.880 20 0 DFADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436587863 297015903 /nfs/dbraw/zinc/01/59/03/297015903.db2.gz GJCPIYOZAXIISS-DGCLKSJQSA-N -1 3 319.401 2.745 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc([S@@](C)=O)c2)c([O-])c1C ZINC000436558886 297012786 /nfs/dbraw/zinc/01/27/86/297012786.db2.gz ZWROTIMWIIFMBH-OAQYLSRUSA-N -1 3 303.383 2.999 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 ZINC000436591087 297015919 /nfs/dbraw/zinc/01/59/19/297015919.db2.gz VIDWPYHIMCYKBG-CZUORRHYSA-N -1 3 324.380 2.624 20 0 DFADHM CO[C@@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(C)C ZINC000436575029 297013590 /nfs/dbraw/zinc/01/35/90/297013590.db2.gz LUZUDEUDKMTEDQ-ZDUSSCGKSA-N -1 3 307.390 2.507 20 0 DFADHM COC[C@@H](NC(=O)c1cc(C)ccc1[O-])c1ccc(F)cc1 ZINC000436571701 297013651 /nfs/dbraw/zinc/01/36/51/297013651.db2.gz DJJDPIDCHLSORP-OAHLLOKOSA-N -1 3 303.333 2.957 20 0 DFADHM Cc1ccc(C(=O)NCc2nnc(C(C)C)s2)c([O-])c1C ZINC000436578114 297014146 /nfs/dbraw/zinc/01/41/46/297014146.db2.gz WGGWGWMHSMTOLI-UHFFFAOYSA-N -1 3 305.403 2.914 20 0 DFADHM Cc1ccc(C(=O)NCCN(C)Cc2ccc(F)cc2)c([O-])c1 ZINC000436579999 297014856 /nfs/dbraw/zinc/01/48/56/297014856.db2.gz YTXCNPKZWGQREL-UHFFFAOYSA-N -1 3 316.376 2.702 20 0 DFADHM C[C@@]1(CO)CCC[C@H]1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436581435 297015005 /nfs/dbraw/zinc/01/50/05/297015005.db2.gz FCUGGNPGHWMUMS-AEFFLSMTSA-N -1 3 303.402 2.552 20 0 DFADHM CCOC(=O)C[C@](C)(NC(=O)c1cccc(C)c1[O-])C(C)C ZINC000436585697 297015156 /nfs/dbraw/zinc/01/51/56/297015156.db2.gz UABPUFMZQUVPNK-KRWDZBQOSA-N -1 3 307.390 2.798 20 0 DFADHM Cc1ccc(C(=O)NCCc2nnc(-c3ccccc3)o2)c([O-])c1 ZINC000436584469 297015259 /nfs/dbraw/zinc/01/52/59/297015259.db2.gz MYGDUIYFOBINIY-UHFFFAOYSA-N -1 3 323.352 2.723 20 0 DFADHM Cc1cnn(CC2CCN(C(=O)c3ccc(C)cc3[O-])CC2)c1 ZINC000436589707 297015587 /nfs/dbraw/zinc/01/55/87/297015587.db2.gz LCFUQPFPAKVMGX-UHFFFAOYSA-N -1 3 313.401 2.758 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c([O-])c1 ZINC000436592548 297016041 /nfs/dbraw/zinc/01/60/41/297016041.db2.gz WJXBXPLWXRRGJN-XJKSGUPXSA-N -1 3 324.380 2.624 20 0 DFADHM Cc1cccc(C(=O)N[C@H]2CCc3cn(C(C)C)nc3C2)c1[O-] ZINC000436594450 297016057 /nfs/dbraw/zinc/01/60/57/297016057.db2.gz FDZPXSBJNSBOTC-AWEZNQCLSA-N -1 3 313.401 2.765 20 0 DFADHM COc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1F ZINC000436594912 297016398 /nfs/dbraw/zinc/01/63/98/297016398.db2.gz JNCPMAVTOFVRID-UHFFFAOYSA-N -1 3 303.289 2.995 20 0 DFADHM Cc1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)c([O-])c1 ZINC000436597538 297016810 /nfs/dbraw/zinc/01/68/10/297016810.db2.gz QIHFBOSZNBQOBC-CYBMUJFWSA-N -1 3 313.353 2.661 20 0 DFADHM CCOc1cccc(CCNC(=O)c2ccc(OC)cc2[O-])c1 ZINC000436598926 297016877 /nfs/dbraw/zinc/01/68/77/297016877.db2.gz CIKJBICBCSYCBT-UHFFFAOYSA-N -1 3 315.369 2.772 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)C(=O)Cc2ccccc2)c([O-])c1C ZINC000436599245 297017197 /nfs/dbraw/zinc/01/71/97/297017197.db2.gz ABRVSMHNJYPDEV-AWEZNQCLSA-N -1 3 311.381 2.939 20 0 DFADHM C[C@@H](CO)[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436599276 297017349 /nfs/dbraw/zinc/01/73/49/297017349.db2.gz XBJJZMHJEIJKSH-UONOGXRCSA-N -1 3 313.397 2.730 20 0 DFADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H](C)CO ZINC000436599277 297017424 /nfs/dbraw/zinc/01/74/24/297017424.db2.gz XBJJZMHJEIJKSH-ZIAGYGMSSA-N -1 3 313.397 2.730 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCOC[C@H]1C1CC1 ZINC000436609227 297017814 /nfs/dbraw/zinc/01/78/14/297017814.db2.gz VRSQVGRNCBVSNG-INIZCTEOSA-N -1 3 301.386 2.522 20 0 DFADHM C[C@H]1OCC[C@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436619809 297018802 /nfs/dbraw/zinc/01/88/02/297018802.db2.gz SPTAJCNBDUFVPF-CXAGYDPISA-N -1 3 311.381 2.890 20 0 DFADHM CC[C@H]1CCCCN1CCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436651273 297021265 /nfs/dbraw/zinc/02/12/65/297021265.db2.gz VDDUSIPUNDKJAF-HNNXBMFYSA-N -1 3 318.417 2.589 20 0 DFADHM Cc1cc(CN(C)C)cc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436624970 297019152 /nfs/dbraw/zinc/01/91/52/297019152.db2.gz NIQJFUJPNXXYJP-UHFFFAOYSA-N -1 3 300.358 2.720 20 0 DFADHM Cc1nn(C)c(C)c1CCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436624661 297019254 /nfs/dbraw/zinc/01/92/54/297019254.db2.gz MLCUQYFKCBSABT-UHFFFAOYSA-N -1 3 315.417 2.722 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2ncccc2OC(F)F)cc1[O-] ZINC000436630753 297019870 /nfs/dbraw/zinc/01/98/70/297019870.db2.gz PDHMAFZKVATLBT-UHFFFAOYSA-N -1 3 322.267 2.844 20 0 DFADHM CCCC[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)OC(C)(C)C ZINC000436640807 297020221 /nfs/dbraw/zinc/02/02/21/297020221.db2.gz KBWMJCASAPDHTI-CYBMUJFWSA-N -1 3 323.389 2.728 20 0 DFADHM O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000436642738 297020545 /nfs/dbraw/zinc/02/05/45/297020545.db2.gz UIFHUWBZIHFIOI-CYBMUJFWSA-N -1 3 314.360 2.788 20 0 DFADHM COc1ccc(OC)c([C@@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000436649528 297021333 /nfs/dbraw/zinc/02/13/33/297021333.db2.gz VDYMEOBWNQFEQS-SNVBAGLBSA-N -1 3 317.341 2.606 20 0 DFADHM COc1ncc(C)cc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436654895 297022112 /nfs/dbraw/zinc/02/21/12/297022112.db2.gz JWMBQOMXVQUPJM-UHFFFAOYSA-N -1 3 300.314 2.559 20 0 DFADHM CC(=O)c1ccc(C(=O)N(C)Cc2cc(Cl)cn2C)cc1[O-] ZINC000436657570 297022655 /nfs/dbraw/zinc/02/26/55/297022655.db2.gz JGEFIBBEBHWZBZ-UHFFFAOYSA-N -1 3 320.776 2.859 20 0 DFADHM COC(=O)[C@]12CN(C(=O)c3cc(C)ccc3[O-])C[C@H]1CCCC2 ZINC000436668128 297023098 /nfs/dbraw/zinc/02/30/98/297023098.db2.gz WXWOOXBJFNBCFU-FZKQIMNGSA-N -1 3 317.385 2.506 20 0 DFADHM C[C@H](CNC(=O)c1ccc(O)cc1[O-])Oc1ccc(Cl)cc1 ZINC000436670696 297023435 /nfs/dbraw/zinc/02/34/35/297023435.db2.gz SCDYELZZKVVPHA-SNVBAGLBSA-N -1 3 321.760 2.949 20 0 DFADHM Cc1ccc(C(=O)NCc2nccn2-c2ccccc2)c([O-])c1 ZINC000436709161 297026937 /nfs/dbraw/zinc/02/69/37/297026937.db2.gz MDMBYOXYBDNMCN-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCc3ccc(O)cc3)c([O-])c2O1 ZINC000436680444 297024834 /nfs/dbraw/zinc/02/48/34/297024834.db2.gz JSROTWSULBXOLD-UHFFFAOYSA-N -1 3 313.353 2.741 20 0 DFADHM COc1cc(NC(=O)c2cc(C)cc(OC)c2[O-])cc(OC)c1 ZINC000436749279 297031301 /nfs/dbraw/zinc/03/13/01/297031301.db2.gz YEJKGFFWCRNHCF-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000436748405 297031552 /nfs/dbraw/zinc/03/15/52/297031552.db2.gz SAMWZNFAQVSXDM-PXAZEXFGSA-N -1 3 315.369 2.907 20 0 DFADHM COc1cccc(C(=O)NCCCSc2ccccn2)c1[O-] ZINC000436709466 297027316 /nfs/dbraw/zinc/02/73/16/297027316.db2.gz NKYSUIGQXIBVMI-UHFFFAOYSA-N -1 3 318.398 2.708 20 0 DFADHM C[C@H](O)C(C)(C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436713869 297027337 /nfs/dbraw/zinc/02/73/37/297027337.db2.gz KLHRAEBQENAGOJ-ZDUSSCGKSA-N -1 3 313.397 2.872 20 0 DFADHM CC[C@@H](C)N[C@H](CNC(=O)c1c([O-])cccc1F)c1ccco1 ZINC000436714662 297027864 /nfs/dbraw/zinc/02/78/64/297027864.db2.gz 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297029284 /nfs/dbraw/zinc/02/92/84/297029284.db2.gz GWGDWVUDFVIVFL-DOMZBBRYSA-N -1 3 305.418 2.798 20 0 DFADHM COCCN(C(=O)c1cc(OC)ccc1[O-])[C@H]1CCC[C@H]1C ZINC000436732869 297029441 /nfs/dbraw/zinc/02/94/41/297029441.db2.gz SIUQYBJVZKNGDH-DOMZBBRYSA-N -1 3 307.390 2.678 20 0 DFADHM COc1cccc(C(=O)NCc2cnc3ccccc3c2)c1[O-] ZINC000436733400 297029468 /nfs/dbraw/zinc/02/94/68/297029468.db2.gz HNPIWEINFXPCGW-UHFFFAOYSA-N -1 3 308.337 2.879 20 0 DFADHM CN(C)c1nc2ccc(NC(=O)c3ccc([O-])cc3F)cc2[nH]1 ZINC000436733036 297029670 /nfs/dbraw/zinc/02/96/70/297029670.db2.gz WBBGWOGYQUXSRK-UHFFFAOYSA-N -1 3 314.320 2.726 20 0 DFADHM CCOC1CC(N(C)C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436739621 297030139 /nfs/dbraw/zinc/03/01/39/297030139.db2.gz QCNIOCPORHMZKE-UHFFFAOYSA-N -1 3 303.402 2.911 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NC[C@H]3CCCSC3)c([O-])c2O1 ZINC000436734929 297030159 /nfs/dbraw/zinc/03/01/59/297030159.db2.gz BONYWHVLDCGSJU-LLVKDONJSA-N -1 3 321.442 2.979 20 0 DFADHM CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2c([O-])cccc2O)c1 ZINC000436740797 297030445 /nfs/dbraw/zinc/03/04/45/297030445.db2.gz RKPUNUKFQCANQY-KGLIPLIRSA-N -1 3 313.353 2.782 20 0 DFADHM C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436770895 297033345 /nfs/dbraw/zinc/03/33/45/297033345.db2.gz VSMBANLTOMEHNL-VHSXEESVSA-N -1 3 316.323 2.576 20 0 DFADHM CCc1nnc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)s1 ZINC000436777112 297033858 /nfs/dbraw/zinc/03/38/58/297033858.db2.gz LQKJJDWPYFSLLD-UHFFFAOYSA-N -1 3 319.386 2.772 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000436793901 297034763 /nfs/dbraw/zinc/03/47/63/297034763.db2.gz TUAHABCELFYOFI-LLVKDONJSA-N -1 3 307.390 2.976 20 0 DFADHM C[C@@H](O)C[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436803360 297035462 /nfs/dbraw/zinc/03/54/62/297035462.db2.gz OOZGLKHUIVMUTR-UONOGXRCSA-N -1 3 313.397 2.872 20 0 DFADHM CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000436806052 297035651 /nfs/dbraw/zinc/03/56/51/297035651.db2.gz 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/nfs/dbraw/zinc/03/90/57/297039057.db2.gz XCAWJOKVWSWIRZ-CQSZACIVSA-N -1 3 303.358 2.974 20 0 DFADHM CCOC(=O)CN(C(=O)c1ccc(CC)cc1[O-])C1CCC1 ZINC000436842841 297039439 /nfs/dbraw/zinc/03/94/39/297039439.db2.gz XKYCJBJYJMOYHC-UHFFFAOYSA-N -1 3 305.374 2.512 20 0 DFADHM Cn1cc(CCNC(=O)c2ccccc2[O-])c2ccc(F)cc21 ZINC000436859519 297040392 /nfs/dbraw/zinc/04/03/92/297040392.db2.gz YDMJITLXBFQURQ-UHFFFAOYSA-N -1 3 312.344 2.996 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3CC(C4CCC4)C3)c([O-])c2O1 ZINC000436863257 297041052 /nfs/dbraw/zinc/04/10/52/297041052.db2.gz IEIMFVFANCGXMN-UHFFFAOYSA-N -1 3 301.386 2.978 20 0 DFADHM CCc1ccc(-c2nc(Cc3ccc(OC)nc3)no2)c([O-])c1 ZINC000436863977 297041056 /nfs/dbraw/zinc/04/10/56/297041056.db2.gz MAIXPSVTEVERPY-UHFFFAOYSA-N -1 3 311.341 2.999 20 0 DFADHM CCOc1cnc(-c2noc(-c3ccc(CC)cc3[O-])n2)cn1 ZINC000436878099 297041868 /nfs/dbraw/zinc/04/18/68/297041868.db2.gz ROGWZCXHYBKKOY-UHFFFAOYSA-N -1 3 312.329 2.860 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(NC(N)=O)c2)c([O-])c1C 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DFADHM COc1cccc(C(=O)Nc2cc(F)c(F)cc2OC)c1[O-] ZINC000436925100 297045400 /nfs/dbraw/zinc/04/54/00/297045400.db2.gz FOCYMUFRKBKUQC-UHFFFAOYSA-N -1 3 309.268 2.940 20 0 DFADHM COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436940109 297046145 /nfs/dbraw/zinc/04/61/45/297046145.db2.gz UIXLGJRXZRGNCT-INIZCTEOSA-N -1 3 313.353 2.687 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)c([O-])c1 ZINC000436979972 297049624 /nfs/dbraw/zinc/04/96/24/297049624.db2.gz LSGGHEMTHOMIKQ-UNEWFSDZSA-N -1 3 319.401 2.868 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@H]1C ZINC000179308998 293939273 /nfs/dbraw/zinc/93/92/73/293939273.db2.gz BNFHAOGOUNHCKR-MEBBXXQBSA-N -1 3 320.414 2.893 20 0 DFADHM Cc1ccccc1-c1nc(CNC(=O)c2ccccc2[O-])no1 ZINC000436975866 297049357 /nfs/dbraw/zinc/04/93/57/297049357.db2.gz NPVGGGZLJWYWDV-UHFFFAOYSA-N -1 3 309.325 2.681 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)c([O-])c1 ZINC000436979973 297049802 /nfs/dbraw/zinc/04/98/02/297049802.db2.gz 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2.650 20 0 DFADHM CN(CC(=O)N1CCCc2cccc([O-])c21)Cc1ccccc1 ZINC000155636563 295322035 /nfs/dbraw/zinc/32/20/35/295322035.db2.gz SNTDWRBZGFQRQI-UHFFFAOYSA-N -1 3 310.397 2.803 20 0 DFADHM CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000495393571 299924347 /nfs/dbraw/zinc/92/43/47/299924347.db2.gz RBQGRNSZCCUPHZ-UHFFFAOYSA-N -1 3 324.352 2.775 20 0 DFADHM CSc1ccc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)o1 ZINC000157247762 295346197 /nfs/dbraw/zinc/34/61/97/295346197.db2.gz TZKIKWNMOQZBOL-UHFFFAOYSA-N -1 3 308.750 2.950 20 0 DFADHM COc1ccc(C(=O)N2CCC[C@]3(CCCCO3)C2)c([O-])c1 ZINC000369690160 295458640 /nfs/dbraw/zinc/45/86/40/295458640.db2.gz AWBXEEVHEHRSBD-QGZVFWFLSA-N -1 3 305.374 2.576 20 0 DFADHM Cc1cccc(C(=O)NCc2ccn(Cc3ccccc3)n2)c1[O-] ZINC000390343694 295478105 /nfs/dbraw/zinc/47/81/05/295478105.db2.gz UEXGMJMMEYPGKJ-UHFFFAOYSA-N -1 3 321.380 2.875 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCc2ccn(Cc3ccccc3)n2)c1 ZINC000390365919 295478189 /nfs/dbraw/zinc/47/81/89/295478189.db2.gz VNRAZEUBGJGKQL-UHFFFAOYSA-N -1 3 321.380 2.875 20 0 DFADHM C[C@H]1CSCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412118410 295591025 /nfs/dbraw/zinc/59/10/25/295591025.db2.gz FCORIUMUVGADIU-VIFPVBQESA-N -1 3 322.817 2.759 20 0 DFADHM C[C@@H]1CSCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412118408 295591104 /nfs/dbraw/zinc/59/11/04/295591104.db2.gz FCORIUMUVGADIU-SECBINFHSA-N -1 3 322.817 2.759 20 0 DFADHM CCc1noc(CC)c1CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412176001 295596889 /nfs/dbraw/zinc/59/68/89/295596889.db2.gz RMKISXPTZYNOGC-UHFFFAOYSA-N -1 3 316.357 2.638 20 0 DFADHM C[C@@H]1C[C@H](CNC(=O)c2ccc3c(c2[O-])CCCC3)[C@H](C)O1 ZINC000412649940 295642022 /nfs/dbraw/zinc/64/20/22/295642022.db2.gz KCUXBSZANMXZEH-MBNYWOFBSA-N -1 3 303.402 2.814 20 0 DFADHM CN(C)CCc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000438552556 297097830 /nfs/dbraw/zinc/09/78/30/297097830.db2.gz LCADZNGGMIYLBA-UHFFFAOYSA-N -1 3 302.349 2.888 20 0 DFADHM Cc1noc2ncc([N-]S(=O)(=O)CCc3ccccc3)cc12 ZINC000438775991 297103268 /nfs/dbraw/zinc/10/32/68/297103268.db2.gz RXWABMDCBIPRCM-UHFFFAOYSA-N -1 3 317.370 2.516 20 0 DFADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000439251327 297120018 /nfs/dbraw/zinc/12/00/18/297120018.db2.gz WNJHEKXRVBIIMY-UHFFFAOYSA-N -1 3 311.325 2.872 20 0 DFADHM Cc1cc2[nH]c(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)cc2c(C)c1 ZINC000440367136 297150993 /nfs/dbraw/zinc/15/09/93/297150993.db2.gz VBDMRTPZOVSUQU-UHFFFAOYSA-N -1 3 312.329 2.547 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000440380717 297151133 /nfs/dbraw/zinc/15/11/33/297151133.db2.gz BKAYAVJEWRBULH-SSDOTTSWSA-N -1 3 319.386 2.635 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCc1ccc2ccccc2c1 ZINC000440368175 297151225 /nfs/dbraw/zinc/15/12/25/297151225.db2.gz YYJFQXJSHSJEBM-UHFFFAOYSA-N -1 3 323.352 2.921 20 0 DFADHM CC(C)OC(=O)[C@H](C)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000440485629 297153904 /nfs/dbraw/zinc/15/39/04/297153904.db2.gz IRBMEIHDSLSNIM-GFCCVEGCSA-N -1 3 319.401 2.589 20 0 DFADHM 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/nfs/dbraw/zinc/26/07/97/297260797.db2.gz KOLHNHZBGISKHZ-WAYWQWQTSA-N -1 3 305.297 2.884 20 0 DFADHM [O-]c1cncc(C=Cc2nc(-c3ccc4nc[nH]c4c3)no2)c1 ZINC000445230847 297261180 /nfs/dbraw/zinc/26/11/80/297261180.db2.gz MLYRKXCRCQZELZ-RJRFIUFISA-N -1 3 305.297 2.884 20 0 DFADHM [O-]c1cncc(C=Cc2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000445230847 297261181 /nfs/dbraw/zinc/26/11/81/297261181.db2.gz MLYRKXCRCQZELZ-RJRFIUFISA-N -1 3 305.297 2.884 20 0 DFADHM CCCOc1cc(C)ccc1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000446696703 297286426 /nfs/dbraw/zinc/28/64/26/297286426.db2.gz NFXQQAJTQSXOEC-UHFFFAOYSA-N -1 3 324.384 2.985 20 0 DFADHM Cc1nc(S(=O)(=O)[N-]CC2(CC(C)C)CCCC2)cn1C ZINC000447155965 297296467 /nfs/dbraw/zinc/29/64/67/297296467.db2.gz ZCGBQXSVDDMYTA-UHFFFAOYSA-N -1 3 313.467 2.613 20 0 DFADHM CC(C)C(C)(C)S(=O)(=O)Cc1n[n-]c(-c2cccs2)n1 ZINC000447382391 297302418 /nfs/dbraw/zinc/30/24/18/297302418.db2.gz PHGWBRYXRYBAFA-UHFFFAOYSA-N -1 3 313.448 2.883 20 0 DFADHM CC(C)C(C)(C)S(=O)(=O)Cc1nnc(-c2cccs2)[n-]1 ZINC000447382391 297302421 /nfs/dbraw/zinc/30/24/21/297302421.db2.gz PHGWBRYXRYBAFA-UHFFFAOYSA-N -1 3 313.448 2.883 20 0 DFADHM CC(C)C(C)(C)S(=O)(=O)Cc1nc(-c2cccs2)n[n-]1 ZINC000447382391 297302423 /nfs/dbraw/zinc/30/24/23/297302423.db2.gz PHGWBRYXRYBAFA-UHFFFAOYSA-N -1 3 313.448 2.883 20 0 DFADHM CC1(C)Oc2ccc(NC(=O)c3c([O-])cccc3O)cc2O1 ZINC000447548859 297308125 /nfs/dbraw/zinc/30/81/25/297308125.db2.gz BWZFJSKLPFUBCL-UHFFFAOYSA-N -1 3 301.298 2.857 20 0 DFADHM Cc1ccc(-c2cc(C(=O)N3C[C@H](O)Cc4ccccc43)n[n-]2)o1 ZINC000447715514 297314189 /nfs/dbraw/zinc/31/41/89/297314189.db2.gz RAZYCTRMMCWZJZ-CYBMUJFWSA-N -1 3 323.352 2.542 20 0 DFADHM Cc1ccc(-c2cc(C(=O)N3C[C@H](O)Cc4ccccc43)[n-]n2)o1 ZINC000447715514 297314191 /nfs/dbraw/zinc/31/41/91/297314191.db2.gz RAZYCTRMMCWZJZ-CYBMUJFWSA-N -1 3 323.352 2.542 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccccn1)C1CC1 ZINC000448595649 297346965 /nfs/dbraw/zinc/34/69/65/297346965.db2.gz RBPSJXFSEYRAJN-UHFFFAOYSA-N -1 3 300.333 2.660 20 0 DFADHM COC(=O)CCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000448609148 297348737 /nfs/dbraw/zinc/34/87/37/297348737.db2.gz ZENYRYUFJGXMFH-UHFFFAOYSA-N -1 3 315.369 2.547 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000448641073 297351740 /nfs/dbraw/zinc/35/17/40/297351740.db2.gz IJBSRZGFPLTSKV-QGZVFWFLSA-N -1 3 315.344 2.674 20 0 DFADHM CCOCc1ccccc1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448682368 297356236 /nfs/dbraw/zinc/35/62/36/297356236.db2.gz VDKWBTXVDCOGAL-UHFFFAOYSA-N -1 3 317.360 2.927 20 0 DFADHM Cc1nnc([N-]C(=O)c2cn(CC(C)C)nc2C(F)F)s1 ZINC000448765295 297365229 /nfs/dbraw/zinc/36/52/29/297365229.db2.gz XOGGOMMMKHCSIB-UHFFFAOYSA-N -1 3 315.349 2.889 20 0 DFADHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448893527 297379821 /nfs/dbraw/zinc/37/98/21/297379821.db2.gz CWFOCEGXYPOVDF-OAHLLOKOSA-N -1 3 315.344 2.941 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C12CCC2 ZINC000449938058 297563087 /nfs/dbraw/zinc/56/30/87/297563087.db2.gz DUWCZFUQZYKGFH-HUUCEWRRSA-N -1 3 307.365 2.538 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C(C)(C)OC(C)C)c([O-])c1 ZINC000450408685 297626310 /nfs/dbraw/zinc/62/63/10/297626310.db2.gz JUSGFNANEGKUSV-UHFFFAOYSA-N -1 3 309.362 2.711 20 0 DFADHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451157110 297757135 /nfs/dbraw/zinc/75/71/35/297757135.db2.gz GZFNUEGFWPSVEA-LLVKDONJSA-N -1 3 311.378 2.682 20 0 DFADHM Cc1ncsc1C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000451163968 297758360 /nfs/dbraw/zinc/75/83/60/297758360.db2.gz GCOVVDCMUFSJCW-JTQLQIEISA-N -1 3 324.418 2.696 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2)c1 ZINC000451167774 297758875 /nfs/dbraw/zinc/75/88/75/297758875.db2.gz AFECRMMBOSIHOE-CYBMUJFWSA-N -1 3 322.455 2.614 20 0 DFADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451275818 297779677 /nfs/dbraw/zinc/77/96/77/297779677.db2.gz SHMGRVMIVDYFSB-UHFFFAOYSA-N -1 3 305.465 2.524 20 0 DFADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)cs1)c1ccccc1 ZINC000451277621 297780536 /nfs/dbraw/zinc/78/05/36/297780536.db2.gz BJDPUFQUVRPUFA-ZDUSSCGKSA-N -1 3 311.428 2.723 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C2CC(C)(F)C2)c(Cl)cc1F ZINC000451633212 297848555 /nfs/dbraw/zinc/84/85/55/297848555.db2.gz QDEANYVBMKKOOD-UHFFFAOYSA-N -1 3 309.765 2.956 20 0 DFADHM CC[C@@](C)(C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)OC ZINC000451794141 297875883 /nfs/dbraw/zinc/87/58/83/297875883.db2.gz FYWYMLCTMWCABK-RYUDHWBXSA-N -1 3 313.410 2.546 20 0 DFADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000451825480 297882027 /nfs/dbraw/zinc/88/20/27/297882027.db2.gz NVLZIOKCYSBXMT-ZJUUUORDSA-N -1 3 303.811 2.673 20 0 DFADHM CCCc1ncc(C[N-]S(=O)(=O)Cc2c(C)cccc2C)o1 ZINC000451960156 297905094 /nfs/dbraw/zinc/90/50/94/297905094.db2.gz PCSTVEHGXCEKOY-UHFFFAOYSA-N -1 3 322.430 2.864 20 0 DFADHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(C)o3)C2)c1 ZINC000451964478 297906597 /nfs/dbraw/zinc/90/65/97/297906597.db2.gz KQFOZYIEAURBCH-HDJSIYSDSA-N -1 3 321.398 2.821 20 0 DFADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CC1 ZINC000451993076 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Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2COCc3ccccc32)c1 ZINC000575025015 318057711 /nfs/dbraw/zinc/05/77/11/318057711.db2.gz LWUHWDFGAZUZMI-HNNXBMFYSA-N -1 3 321.373 2.684 20 0 DFADHM CC[C@@H](C)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)OC ZINC000575125413 318065296 /nfs/dbraw/zinc/06/52/96/318065296.db2.gz CXISOSQPXLQVKD-NOZJJQNGSA-N -1 3 313.781 2.753 20 0 DFADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(CCCCC(F)(F)F)CC1 ZINC000575130622 318065569 /nfs/dbraw/zinc/06/55/69/318065569.db2.gz CIOYIMSLORUKII-OLZOCXBDSA-N -1 3 323.355 2.921 20 0 DFADHM CCc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc1F ZINC000575401174 318076260 /nfs/dbraw/zinc/07/62/60/318076260.db2.gz MFSPMSNDNJCRTP-AWEZNQCLSA-N -1 3 301.383 2.555 20 0 DFADHM O=C([O-])c1occc1CN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000576053895 318101283 /nfs/dbraw/zinc/10/12/83/318101283.db2.gz DZGDJJBAPCMNCV-SFHVURJKSA-N -1 3 313.353 2.948 20 0 DFADHM CCOc1nc2cc(C(=O)NCCc3ccc(C)o3)ccc2[n-]1 ZINC000576192380 318109609 /nfs/dbraw/zinc/10/96/09/318109609.db2.gz 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CCc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccncc2)c([O-])c1 ZINC000577027853 318165757 /nfs/dbraw/zinc/16/57/57/318165757.db2.gz ZQJZNWVIVJZKLR-DOTOQJQBSA-N -1 3 312.369 2.610 20 0 DFADHM O=S(=O)([N-]C1(Cc2ccccc2)CCC1)c1cscn1 ZINC000577368090 318188299 /nfs/dbraw/zinc/18/82/99/318188299.db2.gz HVSGCOPIRARMBM-UHFFFAOYSA-N -1 3 308.428 2.587 20 0 DFADHM CC1(C)C[C@H](NC(=O)Cc2cncc([O-])c2)c2ccccc2O1 ZINC000577528969 318199679 /nfs/dbraw/zinc/19/96/79/318199679.db2.gz LLPHICGPMAHFJH-HNNXBMFYSA-N -1 3 312.369 2.748 20 0 DFADHM O=C([O-])c1coc(CN2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC000578027972 318233161 /nfs/dbraw/zinc/23/31/61/318233161.db2.gz VXGQLKXIBXFLFM-GOSISDBHSA-N -1 3 313.353 2.948 20 0 DFADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nccn1-c1ccccc1 ZINC000578199327 318244484 /nfs/dbraw/zinc/24/44/84/318244484.db2.gz BXAGAERNGFNGFJ-LXZKKBNFSA-N -1 3 311.385 2.557 20 0 DFADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nccn1-c1ccccc1 ZINC000578199326 318244688 /nfs/dbraw/zinc/24/46/88/318244688.db2.gz 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305.334 2.741 20 0 DFADHM O=C(NCc1cc(-c2ccccc2)on1)c1ccc2n[n-]nc2c1 ZINC000195131766 323278614 /nfs/dbraw/zinc/27/86/14/323278614.db2.gz IULFPENGTTVMHU-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000379424824 323288694 /nfs/dbraw/zinc/28/86/94/323288694.db2.gz BNWWRLMJKWBOTC-INIZCTEOSA-N -1 3 310.397 2.787 20 0 DFADHM CCC1([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000379710142 323290388 /nfs/dbraw/zinc/29/03/88/323290388.db2.gz CNECFVOHURQFRF-UHFFFAOYSA-N -1 3 322.199 2.809 20 0 DFADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1ccccc1F ZINC000381375005 323293808 /nfs/dbraw/zinc/29/38/08/323293808.db2.gz NSXUSSJDHNXDFX-UHFFFAOYSA-N -1 3 320.389 2.662 20 0 DFADHM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000381454582 323293980 /nfs/dbraw/zinc/29/39/80/323293980.db2.gz HQPHIBCLRDOZMF-HNNXBMFYSA-N -1 3 314.360 2.536 20 0 DFADHM CC/C=C/C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000384957814 323309263 /nfs/dbraw/zinc/30/92/63/323309263.db2.gz GYQOZQATPVCLQK-ONEGZZNKSA-N 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316.332 2.994 20 0 DFADHM O=S(=O)([N-]CC1CCC1)c1ccc(F)cc1Br ZINC000037575107 501081447 /nfs/dbraw/zinc/08/14/47/501081447.db2.gz YGHRWCPFNSIAHO-UHFFFAOYSA-N -1 3 322.199 2.667 20 0 DFADHM COC(=O)c1cc([N-]C(=O)c2ccncc2F)c(F)cc1F ZINC000317924700 533887978 /nfs/dbraw/zinc/88/79/78/533887978.db2.gz OXDVJOVOYLWEFP-UHFFFAOYSA-N -1 3 310.231 2.538 20 0 DFADHM Cc1c(S(=O)(=O)[N-]c2cc(C)c(C)cc2Cl)cnn1C ZINC000296687084 533935807 /nfs/dbraw/zinc/93/58/07/533935807.db2.gz JFSNINKXKHELMF-UHFFFAOYSA-N -1 3 313.810 2.800 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2ccccc2OCC2CC2)[n-]1 ZINC000293082107 534046428 /nfs/dbraw/zinc/04/64/28/534046428.db2.gz DFJAZRIRXBSVLP-UHFFFAOYSA-N -1 3 314.341 2.842 20 0 DFADHM Cc1ccc([O-])c(CN2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000331952768 534195607 /nfs/dbraw/zinc/19/56/07/534195607.db2.gz PNRPJDHONGVXJD-LRDDRELGSA-N -1 3 320.339 2.682 20 0 DFADHM COc1ccc([O-])c(C(=O)NCCc2cccc3cccnc32)c1 ZINC000325231054 534196826 /nfs/dbraw/zinc/19/68/26/534196826.db2.gz RUHIZKIUMZGHHW-UHFFFAOYSA-N -1 3 322.364 2.922 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)C[C@@H]1C ZINC000295589995 534212638 /nfs/dbraw/zinc/21/26/38/534212638.db2.gz XJVYIUCZMGJKPS-WOPDTQHZSA-N -1 3 301.394 2.821 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)C[C@@H]1C ZINC000295589995 534212642 /nfs/dbraw/zinc/21/26/42/534212642.db2.gz XJVYIUCZMGJKPS-WOPDTQHZSA-N -1 3 301.394 2.821 20 0 DFADHM C[C@@H]1CCc2c(C(=O)NCc3ncccc3[O-])csc2C1 ZINC000332004179 534267703 /nfs/dbraw/zinc/26/77/03/534267703.db2.gz CKPLFURDYZYZSR-SNVBAGLBSA-N -1 3 302.399 2.904 20 0 DFADHM C[C@@H](Cn1cccn1)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294458484 534269383 /nfs/dbraw/zinc/26/93/83/534269383.db2.gz LNXYGGFJZHHPEG-AWEZNQCLSA-N -1 3 323.396 2.879 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2cn(C)nc2-c2cccs2)n1 ZINC000345926650 518189321 /nfs/dbraw/zinc/18/93/21/518189321.db2.gz MHARJFKTOMJNMB-UHFFFAOYSA-N -1 3 314.370 2.810 20 0 DFADHM Cc1nc(-c2ccc(C(=O)Nc3cccc([O-])c3F)cc2)n[nH]1 ZINC000128431210 518193937 /nfs/dbraw/zinc/19/39/37/518193937.db2.gz GZDCVNURXJIGAB-UHFFFAOYSA-N -1 3 312.304 2.877 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3ccccc3C2)c1 ZINC000270034711 519728252 /nfs/dbraw/zinc/72/82/52/519728252.db2.gz ILZZMVGSPJZQIF-OAHLLOKOSA-N -1 3 324.380 2.638 20 0 DFADHM [O-]c1ccc(-c2noc(CC3OCCCO3)n2)c2ccccc12 ZINC000293494784 534452424 /nfs/dbraw/zinc/45/24/24/534452424.db2.gz VHXWWAYOJWHDSD-UHFFFAOYSA-N -1 3 312.325 2.901 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)C1(C(F)(F)F)CCC1 ZINC000294978611 534478820 /nfs/dbraw/zinc/47/88/20/534478820.db2.gz XYEOAMXZARUIFM-UHFFFAOYSA-N -1 3 311.267 2.538 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C1(C(F)(F)F)CCC1 ZINC000294978611 534478828 /nfs/dbraw/zinc/47/88/28/534478828.db2.gz XYEOAMXZARUIFM-UHFFFAOYSA-N -1 3 311.267 2.538 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C1(C(F)(F)F)CCC1 ZINC000294978611 534478843 /nfs/dbraw/zinc/47/88/43/534478843.db2.gz XYEOAMXZARUIFM-UHFFFAOYSA-N -1 3 311.267 2.538 20 0 DFADHM 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311.381 2.518 20 0 DFADHM COc1ccc(C2CCN(C(=O)c3csc(=O)[n-]3)CC2)cc1 ZINC000365113221 523884204 /nfs/dbraw/zinc/88/42/04/523884204.db2.gz VHSWHDJRCULXNC-UHFFFAOYSA-N -1 3 318.398 2.877 20 0 DFADHM COc1ccc(C[C@H]2CCCN(Cc3n[n-]c(=O)s3)C2)cc1 ZINC000367446476 524157537 /nfs/dbraw/zinc/15/75/37/524157537.db2.gz FGBDAERENWZRBW-CYBMUJFWSA-N -1 3 319.430 2.707 20 0 DFADHM COc1nc(C)cc(Sc2n[n-]c(-c3ccccc3F)n2)n1 ZINC000354522649 524964887 /nfs/dbraw/zinc/96/48/87/524964887.db2.gz NNJUHMPOLUUULK-UHFFFAOYSA-N -1 3 317.349 2.869 20 0 DFADHM C[C@]1(c2cccs2)C[C@@H]1CNC(=O)/C=C/c1cncc([O-])c1 ZINC000364995793 525334348 /nfs/dbraw/zinc/33/43/48/525334348.db2.gz PURXNBWHWBUUPH-RAKGJIHJSA-N -1 3 314.410 2.956 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C1CC1 ZINC000154491884 525505929 /nfs/dbraw/zinc/50/59/29/525505929.db2.gz KKIBSHHESXYBTD-ZETCQYMHSA-N -1 3 322.199 2.665 20 0 DFADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000156091540 525848913 /nfs/dbraw/zinc/84/89/13/525848913.db2.gz 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CC(C)c1ccc(C(=O)N2CCN3CCCC[C@H]3C2)c([O-])c1 ZINC000299361328 528064340 /nfs/dbraw/zinc/06/43/40/528064340.db2.gz YRGDANGXTSXPMN-HNNXBMFYSA-N -1 3 302.418 2.826 20 0 DFADHM CC1=CCCN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000328600651 528102076 /nfs/dbraw/zinc/10/20/76/528102076.db2.gz DDZCEXZKUAIOKR-QGZVFWFLSA-N -1 3 313.357 2.578 20 0 DFADHM CCC[C@H](OC)C(=O)Nc1cc(Br)ccc1[O-] ZINC000294818951 528350202 /nfs/dbraw/zinc/35/02/02/528350202.db2.gz CNLDFJONFVXGHD-NSHDSACASA-N -1 3 302.168 2.908 20 0 DFADHM CCCc1nc(C)c(CNC(=O)NCc2ccc([O-])c(F)c2)o1 ZINC000292997175 528728790 /nfs/dbraw/zinc/72/87/90/528728790.db2.gz MXTGAMGQPURMMB-UHFFFAOYSA-N -1 3 321.352 2.780 20 0 DFADHM CCCn1ccc2cc(NC([O-])=NOC(C)(C)CO)ccc21 ZINC000296599711 528851545 /nfs/dbraw/zinc/85/15/45/528851545.db2.gz WDSDPWNJKRZELR-UHFFFAOYSA-N -1 3 305.378 2.875 20 0 DFADHM CCCn1ccc2cc(NC(=O)[N-]OC(C)(C)CO)ccc21 ZINC000296599711 528851552 /nfs/dbraw/zinc/85/15/52/528851552.db2.gz WDSDPWNJKRZELR-UHFFFAOYSA-N -1 3 305.378 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CO[C@H](C[N-]S(=O)(=O)c1ccco1)c1ccccc1Cl ZINC000682082108 545794249 /nfs/dbraw/zinc/79/42/49/545794249.db2.gz ONTRCXBRSSTOSZ-GFCCVEGCSA-N -1 3 315.778 2.599 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@H]2CCOC2)sc1Cl ZINC000682730027 545906234 /nfs/dbraw/zinc/90/62/34/545906234.db2.gz KGCKGIDMYVXMPH-VHSXEESVSA-N -1 3 323.867 2.803 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c(F)c1 ZINC000682927338 545942864 /nfs/dbraw/zinc/94/28/64/545942864.db2.gz WRRQOFKYDRPTHI-UHFFFAOYSA-N -1 3 319.741 2.559 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)o1 ZINC000682935415 545944202 /nfs/dbraw/zinc/94/42/02/545944202.db2.gz MHHGALIIVLPGPF-CYBMUJFWSA-N -1 3 313.419 2.748 20 0 DFADHM CCOc1cc(O)ccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000682960325 545949417 /nfs/dbraw/zinc/94/94/17/545949417.db2.gz QKWWJDAMADAGNO-UHFFFAOYSA-N -1 3 324.336 2.885 20 0 DFADHM CCOc1cc(O)ccc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000682960325 545949420 /nfs/dbraw/zinc/94/94/20/545949420.db2.gz QKWWJDAMADAGNO-UHFFFAOYSA-N -1 3 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CQTODOLBICIIBD-UHFFFAOYSA-N -1 3 323.356 2.603 20 0 DFADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ncccc2[O-])o1 ZINC000684350526 546197092 /nfs/dbraw/zinc/19/70/92/546197092.db2.gz RRCPCDQSYPLALT-WCQYABFASA-N -1 3 300.358 2.753 20 0 DFADHM O=C(NCc1ncccc1[O-])c1c[nH]c2cc(Cl)ccc12 ZINC000684349756 546197625 /nfs/dbraw/zinc/19/76/25/546197625.db2.gz AWHVOSYLYGXUJN-UHFFFAOYSA-N -1 3 301.733 2.852 20 0 DFADHM O=C(CCCCCc1ccc(O)cc1)NCc1ncccc1[O-] ZINC000684353905 546198048 /nfs/dbraw/zinc/19/80/48/546198048.db2.gz OTRQDMWCXJVMDX-UHFFFAOYSA-N -1 3 314.385 2.912 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3Cc4ccc(F)cc43)[n-]2)o1 ZINC000684590480 546248750 /nfs/dbraw/zinc/24/87/50/546248750.db2.gz DTFJKUWKKZUNPJ-GFCCVEGCSA-N -1 3 312.304 2.791 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3Cc4ccc(F)cc43)n2)o1 ZINC000684590480 546248752 /nfs/dbraw/zinc/24/87/52/546248752.db2.gz DTFJKUWKKZUNPJ-GFCCVEGCSA-N -1 3 312.304 2.791 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3Cc4ccc(F)cc43)n[n-]2)o1 ZINC000684590480 546248756 /nfs/dbraw/zinc/24/87/56/546248756.db2.gz DTFJKUWKKZUNPJ-GFCCVEGCSA-N -1 3 312.304 2.791 20 0 DFADHM Cc1ccc2cccc(S(=O)(=O)[N-]C(C)(C)C(F)F)c2n1 ZINC000684599547 546250412 /nfs/dbraw/zinc/25/04/12/546250412.db2.gz NLYUABOBINVXRU-UHFFFAOYSA-N -1 3 314.357 2.865 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1cnc2ccsc2c1)C(F)F ZINC000684598139 546250479 /nfs/dbraw/zinc/25/04/79/546250479.db2.gz SRGFNANCZVFUQR-UHFFFAOYSA-N -1 3 306.359 2.618 20 0 DFADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCF)c1Cl ZINC000684764988 546276379 /nfs/dbraw/zinc/27/63/79/546276379.db2.gz FCDICXWTGIYUKL-UHFFFAOYSA-N -1 3 300.182 2.858 20 0 DFADHM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)N(C)C1CC1 ZINC000684872466 546296256 /nfs/dbraw/zinc/29/62/56/546296256.db2.gz KXIHKEIRYUYGSC-VIFPVBQESA-N -1 3 316.323 2.624 20 0 DFADHM [O-]c1cccnc1CN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000685426105 546347431 /nfs/dbraw/zinc/34/74/31/546347431.db2.gz OPMVCFVIDDBVSV-ZDUSSCGKSA-N -1 3 312.291 2.629 20 0 DFADHM O=C(Nc1cnn(-c2ccncc2)c1)c1cc([O-])ccc1Cl ZINC000685696493 546384886 /nfs/dbraw/zinc/38/48/86/546384886.db2.gz WYGTWPUSUDLUMN-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM CCn1cncc1[C@@H]1CCCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000685874520 546404044 /nfs/dbraw/zinc/40/40/44/546404044.db2.gz BNFNVLXCJQTXSY-HNNXBMFYSA-N -1 3 324.388 2.542 20 0 DFADHM Cc1cccc([C@H](C)C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737386575 598831592 /nfs/dbraw/zinc/83/15/92/598831592.db2.gz XPZJOBVJMNJZAV-ZDUSSCGKSA-N -1 3 321.384 2.942 20 0 DFADHM Cc1cccc([C@H](C)C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737386575 598831594 /nfs/dbraw/zinc/83/15/94/598831594.db2.gz XPZJOBVJMNJZAV-ZDUSSCGKSA-N -1 3 321.384 2.942 20 0 DFADHM Cc1occc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737556462 598857691 /nfs/dbraw/zinc/85/76/91/598857691.db2.gz IVLOOBMCECWVJS-SREVYHEPSA-N -1 3 310.313 2.525 20 0 DFADHM Cc1occc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737556462 598857693 /nfs/dbraw/zinc/85/76/93/598857693.db2.gz IVLOOBMCECWVJS-SREVYHEPSA-N -1 3 310.313 2.525 20 0 DFADHM COC(=O)[C@H](Nc1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894897 598878403 /nfs/dbraw/zinc/87/84/03/598878403.db2.gz DJXRBRNSUXPHHE-OAHLLOKOSA-N -1 3 323.356 2.501 20 0 DFADHM COC(=O)[C@H](Nc1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894897 598878404 /nfs/dbraw/zinc/87/84/04/598878404.db2.gz DJXRBRNSUXPHHE-OAHLLOKOSA-N -1 3 323.356 2.501 20 0 DFADHM CC(C)(C)CCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735601964 598888263 /nfs/dbraw/zinc/88/82/63/598888263.db2.gz IIDHUNQJGCTJGW-UHFFFAOYSA-N -1 3 302.382 2.815 20 0 DFADHM CC(C)(C)CCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735601964 598888265 /nfs/dbraw/zinc/88/82/65/598888265.db2.gz IIDHUNQJGCTJGW-UHFFFAOYSA-N -1 3 302.382 2.815 20 0 DFADHM CCC(C)(C)C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736315114 598889433 /nfs/dbraw/zinc/88/94/33/598889433.db2.gz WAYRMXWZCLWWQY-LLVKDONJSA-N -1 3 318.377 2.613 20 0 DFADHM CCC(C)(C)C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736315114 598889434 /nfs/dbraw/zinc/88/94/34/598889434.db2.gz WAYRMXWZCLWWQY-LLVKDONJSA-N -1 3 318.377 2.613 20 0 DFADHM CN(c1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCc2ccccc2C1 ZINC000736842459 598914507 /nfs/dbraw/zinc/91/45/07/598914507.db2.gz SGVBBXJQIFUMNL-HNNXBMFYSA-N -1 3 323.375 3.000 20 0 DFADHM Cc1nnc(NCC[C@H]2CCCC[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000737522628 598914722 /nfs/dbraw/zinc/91/47/22/598914722.db2.gz WBZQFHFGUFKWDT-ZWNOBZJWSA-N -1 3 315.425 2.902 20 0 DFADHM Cc1nnc(NCC[C@H]2CCCC[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000737522628 598914723 /nfs/dbraw/zinc/91/47/23/598914723.db2.gz WBZQFHFGUFKWDT-ZWNOBZJWSA-N -1 3 315.425 2.902 20 0 DFADHM Cc1nnc(NCC[C@@H]2CCCC[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000737522620 598914819 /nfs/dbraw/zinc/91/48/19/598914819.db2.gz WBZQFHFGUFKWDT-GWCFXTLKSA-N -1 3 315.425 2.902 20 0 DFADHM Cc1nnc(NCC[C@@H]2CCCC[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000737522620 598914821 /nfs/dbraw/zinc/91/48/21/598914821.db2.gz WBZQFHFGUFKWDT-GWCFXTLKSA-N -1 3 315.425 2.902 20 0 DFADHM CC(C)CC[C@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1F ZINC000735797666 598974573 /nfs/dbraw/zinc/97/45/73/598974573.db2.gz QZUODQALOQMCMG-HNNXBMFYSA-N -1 3 307.373 2.605 20 0 DFADHM C[C@H](CNC(=S)Nc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000736026348 598977519 /nfs/dbraw/zinc/97/75/19/598977519.db2.gz RSDKYIWIBXTDBY-SNVBAGLBSA-N -1 3 318.450 2.835 20 0 DFADHM C[C@H](CNC(=S)Nc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000736026348 598977521 /nfs/dbraw/zinc/97/75/21/598977521.db2.gz RSDKYIWIBXTDBY-SNVBAGLBSA-N -1 3 318.450 2.835 20 0 DFADHM FC(F)(F)CCSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737629000 599010343 /nfs/dbraw/zinc/01/03/43/599010343.db2.gz ZDLZPNJYZIXWJG-UHFFFAOYSA-N -1 3 318.324 2.931 20 0 DFADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000735513188 599015112 /nfs/dbraw/zinc/01/51/12/599015112.db2.gz IUSCLTRZXTWSTJ-LLVKDONJSA-N -1 3 301.394 2.507 20 0 DFADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000735513188 599015114 /nfs/dbraw/zinc/01/51/14/599015114.db2.gz IUSCLTRZXTWSTJ-LLVKDONJSA-N -1 3 301.394 2.507 20 0 DFADHM CCC(CC)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736346295 599036805 /nfs/dbraw/zinc/03/68/05/599036805.db2.gz XMIGQPQZZBNPDQ-UHFFFAOYSA-N -1 3 300.288 2.881 20 0 DFADHM CCC(CC)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736346295 599036808 /nfs/dbraw/zinc/03/68/08/599036808.db2.gz XMIGQPQZZBNPDQ-UHFFFAOYSA-N -1 3 300.288 2.881 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC[C@@H]1c1ccccc1 ZINC000820768780 599050938 /nfs/dbraw/zinc/05/09/38/599050938.db2.gz PROBBOHHXDDNGQ-BBRMVZONSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC[C@@H]1c1ccccc1 ZINC000820768780 599050940 /nfs/dbraw/zinc/05/09/40/599050940.db2.gz PROBBOHHXDDNGQ-BBRMVZONSA-N -1 3 320.400 2.892 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1C[C@@H]2[C@H](C1)C2(C)C ZINC000822331554 599053482 /nfs/dbraw/zinc/05/34/82/599053482.db2.gz HGKGXABFWFPONU-OKILXGFUSA-N -1 3 320.400 2.816 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1C[C@@H]2[C@H](C1)C2(C)C ZINC000822331554 599053484 /nfs/dbraw/zinc/05/34/84/599053484.db2.gz HGKGXABFWFPONU-OKILXGFUSA-N -1 3 320.400 2.816 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC000822563961 599053646 /nfs/dbraw/zinc/05/36/46/599053646.db2.gz SCRQMVWNADLRLH-CABZTGNLSA-N -1 3 304.785 2.684 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC000822563961 599053649 /nfs/dbraw/zinc/05/36/49/599053649.db2.gz SCRQMVWNADLRLH-CABZTGNLSA-N -1 3 304.785 2.684 20 0 DFADHM C[C@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736262466 599054225 /nfs/dbraw/zinc/05/42/25/599054225.db2.gz MUZDWIMZHONZLV-CBAPKCEASA-N -1 3 312.299 2.881 20 0 DFADHM C[C@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736262466 599054228 /nfs/dbraw/zinc/05/42/28/599054228.db2.gz MUZDWIMZHONZLV-CBAPKCEASA-N -1 3 312.299 2.881 20 0 DFADHM Cc1nc(CSc2ccc(-c3nnn[n-]3)cc2F)oc1C ZINC000737476821 599066173 /nfs/dbraw/zinc/06/61/73/599066173.db2.gz FMYFTVFEDUWBSO-UHFFFAOYSA-N -1 3 305.338 2.903 20 0 DFADHM Cc1nc(CSc2ccc(-c3nn[n-]n3)cc2F)oc1C ZINC000737476821 599066176 /nfs/dbraw/zinc/06/61/76/599066176.db2.gz FMYFTVFEDUWBSO-UHFFFAOYSA-N -1 3 305.338 2.903 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736246060 599072560 /nfs/dbraw/zinc/07/25/60/599072560.db2.gz YJXQKDBURIJCNP-JQWIXIFHSA-N -1 3 317.368 2.795 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736246060 599072563 /nfs/dbraw/zinc/07/25/63/599072563.db2.gz YJXQKDBURIJCNP-JQWIXIFHSA-N -1 3 317.368 2.795 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1NCC(C1CC1)C1CC1 ZINC000822568493 599084301 /nfs/dbraw/zinc/08/43/01/599084301.db2.gz SPKHJTGVFLVFEI-UHFFFAOYSA-N -1 3 304.785 2.763 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1NCC(C1CC1)C1CC1 ZINC000822568493 599084303 /nfs/dbraw/zinc/08/43/03/599084303.db2.gz SPKHJTGVFLVFEI-UHFFFAOYSA-N -1 3 304.785 2.763 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N(CC1CC1)CC1CC1 ZINC000738152482 599104790 /nfs/dbraw/zinc/10/47/90/599104790.db2.gz VJLFTYSBYLBOBQ-UHFFFAOYSA-N -1 3 312.377 2.521 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N(CC1CC1)CC1CC1 ZINC000738152482 599104792 /nfs/dbraw/zinc/10/47/92/599104792.db2.gz VJLFTYSBYLBOBQ-UHFFFAOYSA-N -1 3 312.377 2.521 20 0 DFADHM CCC(CC)(CC)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736334999 599116935 /nfs/dbraw/zinc/11/69/35/599116935.db2.gz NYOBZOPJVUXWOL-UHFFFAOYSA-N -1 3 302.382 2.957 20 0 DFADHM CCC(CC)(CC)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736334999 599116937 /nfs/dbraw/zinc/11/69/37/599116937.db2.gz NYOBZOPJVUXWOL-UHFFFAOYSA-N -1 3 302.382 2.957 20 0 DFADHM CCc1cnc(COc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000821499821 599123205 /nfs/dbraw/zinc/12/32/05/599123205.db2.gz RQXLIQLWRLVQMI-UHFFFAOYSA-N -1 3 305.725 2.650 20 0 DFADHM CCc1cnc(COc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000821499821 599123207 /nfs/dbraw/zinc/12/32/07/599123207.db2.gz RQXLIQLWRLVQMI-UHFFFAOYSA-N -1 3 305.725 2.650 20 0 DFADHM Cc1ccc2c(c1)OCCN2Cc1ccccc1-c1nnn[n-]1 ZINC000737375057 599143599 /nfs/dbraw/zinc/14/35/99/599143599.db2.gz BWUWRYZCQGRRNW-UHFFFAOYSA-N -1 3 307.357 2.574 20 0 DFADHM Cc1ccc2c(c1)OCCN2Cc1ccccc1-c1nn[n-]n1 ZINC000737375057 599143601 /nfs/dbraw/zinc/14/36/01/599143601.db2.gz BWUWRYZCQGRRNW-UHFFFAOYSA-N -1 3 307.357 2.574 20 0 DFADHM Cn1c(Cl)cnc1CSc1ccccc1-c1nnn[n-]1 ZINC000822600985 599348383 /nfs/dbraw/zinc/34/83/83/599348383.db2.gz RZAYEAXMFBOYIN-UHFFFAOYSA-N -1 3 306.782 2.546 20 0 DFADHM Cn1c(Cl)cnc1CSc1ccccc1-c1nn[n-]n1 ZINC000822600985 599348386 /nfs/dbraw/zinc/34/83/86/599348386.db2.gz RZAYEAXMFBOYIN-UHFFFAOYSA-N -1 3 306.782 2.546 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820868657 599159731 /nfs/dbraw/zinc/15/97/31/599159731.db2.gz BGSVWOFPXOIWRL-CHWSQXEVSA-N -1 3 315.421 2.740 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820868657 599159733 /nfs/dbraw/zinc/15/97/33/599159733.db2.gz BGSVWOFPXOIWRL-CHWSQXEVSA-N -1 3 315.421 2.740 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@@H]2c2ccco2)n1 ZINC000737245801 599169433 /nfs/dbraw/zinc/16/94/33/599169433.db2.gz PJFMXVCNUPLGAN-GFCCVEGCSA-N -1 3 310.361 2.813 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@@H]2c2ccco2)n1 ZINC000737245801 599169435 /nfs/dbraw/zinc/16/94/35/599169435.db2.gz PJFMXVCNUPLGAN-GFCCVEGCSA-N -1 3 310.361 2.813 20 0 DFADHM Fc1cccc(F)c1[C@@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737659904 599171724 /nfs/dbraw/zinc/17/17/24/599171724.db2.gz FPWRPMNVKKKOQD-BXKDBHETSA-N -1 3 314.299 2.508 20 0 DFADHM Fc1cccc(F)c1[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737659904 599171727 /nfs/dbraw/zinc/17/17/27/599171727.db2.gz FPWRPMNVKKKOQD-BXKDBHETSA-N -1 3 314.299 2.508 20 0 DFADHM CC[C@H](CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)C ZINC000820882705 599177989 /nfs/dbraw/zinc/17/79/89/599177989.db2.gz YBABLSSONAJXPG-LLVKDONJSA-N -1 3 319.384 2.694 20 0 DFADHM CC[C@H](CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)C ZINC000820882705 599177991 /nfs/dbraw/zinc/17/79/91/599177991.db2.gz YBABLSSONAJXPG-LLVKDONJSA-N -1 3 319.384 2.694 20 0 DFADHM C[C@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735570275 599179039 /nfs/dbraw/zinc/17/90/39/599179039.db2.gz MJSFEKMJBXGWTL-QMMMGPOBSA-N -1 3 317.349 2.810 20 0 DFADHM C[C@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735570275 599179041 /nfs/dbraw/zinc/17/90/41/599179041.db2.gz MJSFEKMJBXGWTL-QMMMGPOBSA-N -1 3 317.349 2.810 20 0 DFADHM CCCc1ncc(C(=O)Nc2sccc2-c2nnn[n-]2)s1 ZINC000736495762 599179294 /nfs/dbraw/zinc/17/92/94/599179294.db2.gz PPNZHDWNXYSBMI-UHFFFAOYSA-N -1 3 320.403 2.590 20 0 DFADHM CCCc1ncc(C(=O)Nc2sccc2-c2nn[n-]n2)s1 ZINC000736495762 599179296 /nfs/dbraw/zinc/17/92/96/599179296.db2.gz PPNZHDWNXYSBMI-UHFFFAOYSA-N -1 3 320.403 2.590 20 0 DFADHM C/C(=C/C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)(C)C ZINC000819764523 599180851 /nfs/dbraw/zinc/18/08/51/599180851.db2.gz HYNGRUKRGRKBBG-YFHOEESVSA-N -1 3 317.368 2.614 20 0 DFADHM C/C(=C/C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)(C)C ZINC000819764523 599180853 /nfs/dbraw/zinc/18/08/53/599180853.db2.gz HYNGRUKRGRKBBG-YFHOEESVSA-N -1 3 317.368 2.614 20 0 DFADHM CC(C)C(C)(C)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112594 599187172 /nfs/dbraw/zinc/18/71/72/599187172.db2.gz JLTKLPZQBXBIBS-NSHDSACASA-N -1 3 316.409 2.662 20 0 DFADHM CC(C)C(C)(C)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112594 599187174 /nfs/dbraw/zinc/18/71/74/599187174.db2.gz JLTKLPZQBXBIBS-NSHDSACASA-N -1 3 316.409 2.662 20 0 DFADHM C[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000820742318 599209248 /nfs/dbraw/zinc/20/92/48/599209248.db2.gz JJUAFNDOPWRUKA-BLLLJJGKSA-N -1 3 319.368 2.700 20 0 DFADHM C[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000820742318 599209251 /nfs/dbraw/zinc/20/92/51/599209251.db2.gz JJUAFNDOPWRUKA-BLLLJJGKSA-N -1 3 319.368 2.700 20 0 DFADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC2(C1)CCCCC2 ZINC000738253187 599223362 /nfs/dbraw/zinc/22/33/62/599223362.db2.gz AWJLBFNBVPVTEY-UHFFFAOYSA-N -1 3 311.389 2.663 20 0 DFADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC2(C1)CCCCC2 ZINC000738253187 599223365 /nfs/dbraw/zinc/22/33/65/599223365.db2.gz AWJLBFNBVPVTEY-UHFFFAOYSA-N -1 3 311.389 2.663 20 0 DFADHM CCCC[C@@H](CC)CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736436553 599223978 /nfs/dbraw/zinc/22/39/78/599223978.db2.gz DKICFPWLSAMWDC-LLVKDONJSA-N -1 3 302.382 2.807 20 0 DFADHM CCCC[C@@H](CC)CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736436553 599223981 /nfs/dbraw/zinc/22/39/81/599223981.db2.gz DKICFPWLSAMWDC-LLVKDONJSA-N -1 3 302.382 2.807 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]2CCC[C@H]21 ZINC000737801788 599224716 /nfs/dbraw/zinc/22/47/16/599224716.db2.gz UJMORKMSQJTMNC-KZFBXYQYSA-N -1 3 323.400 2.671 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]2CCC[C@H]21 ZINC000737801788 599224718 /nfs/dbraw/zinc/22/47/18/599224718.db2.gz UJMORKMSQJTMNC-KZFBXYQYSA-N -1 3 323.400 2.671 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738023680 599227552 /nfs/dbraw/zinc/22/75/52/599227552.db2.gz IRZCEYGTXXUOJO-TYNCELHUSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738023680 599227553 /nfs/dbraw/zinc/22/75/53/599227553.db2.gz IRZCEYGTXXUOJO-TYNCELHUSA-N -1 3 311.389 2.565 20 0 DFADHM Cc1c(NC(=O)C=Cc2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822068697 607268256 /nfs/dbraw/zinc/26/82/56/607268256.db2.gz TXEPSKCJNYNEPU-MDZDMXLPSA-N -1 3 323.331 2.966 20 0 DFADHM Cc1c(NC(=O)C=Cc2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822068697 607268257 /nfs/dbraw/zinc/26/82/57/607268257.db2.gz TXEPSKCJNYNEPU-MDZDMXLPSA-N -1 3 323.331 2.966 20 0 DFADHM CCc1cc(C)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)o1 ZINC000821469261 607266391 /nfs/dbraw/zinc/26/63/91/607266391.db2.gz ALBFRNPYCQULGZ-UHFFFAOYSA-N -1 3 311.345 2.891 20 0 DFADHM CCc1cc(C)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)o1 ZINC000821469261 607266392 /nfs/dbraw/zinc/26/63/92/607266392.db2.gz ALBFRNPYCQULGZ-UHFFFAOYSA-N -1 3 311.345 2.891 20 0 DFADHM Cc1c(NC(=O)c2cccc(F)c2F)cccc1-c1nnn[n-]1 ZINC000822107588 607267366 /nfs/dbraw/zinc/26/73/66/607267366.db2.gz ABJCNDGCMRGXRY-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1c(NC(=O)c2cccc(F)c2F)cccc1-c1nn[n-]n1 ZINC000822107588 607267367 /nfs/dbraw/zinc/26/73/67/607267367.db2.gz ABJCNDGCMRGXRY-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822362457 607280060 /nfs/dbraw/zinc/28/00/60/607280060.db2.gz UHUDKSMHFRSJHT-UHFFFAOYSA-N -1 3 322.372 2.805 20 0 DFADHM Cc1ccccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822362457 607280061 /nfs/dbraw/zinc/28/00/61/607280061.db2.gz UHUDKSMHFRSJHT-UHFFFAOYSA-N -1 3 322.372 2.805 20 0 DFADHM COc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821831597 607280401 /nfs/dbraw/zinc/28/04/01/607280401.db2.gz FKIWQXZWPRFEKG-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM COc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821831597 607280402 /nfs/dbraw/zinc/28/04/02/607280402.db2.gz FKIWQXZWPRFEKG-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNCCCC(=O)[O-] ZINC000813354977 597264094 /nfs/dbraw/zinc/26/40/94/597264094.db2.gz QYCHGNYZSYVYLC-UHFFFAOYSA-N -1 3 321.808 2.848 20 0 DFADHM CCCCCC[C@@H](C)CC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736448542 599253356 /nfs/dbraw/zinc/25/33/56/599253356.db2.gz ZUWQHYDBMZZTDC-GFCCVEGCSA-N -1 3 316.409 2.619 20 0 DFADHM CCCCCC[C@@H](C)CC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736448542 599253357 /nfs/dbraw/zinc/25/33/57/599253357.db2.gz ZUWQHYDBMZZTDC-GFCCVEGCSA-N -1 3 316.409 2.619 20 0 DFADHM Cc1c(NC(=O)N2C[C@H](C)C[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822083584 607283850 /nfs/dbraw/zinc/28/38/50/607283850.db2.gz CULLVQYCVPIYMI-PHIMTYICSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1c(NC(=O)N2C[C@H](C)C[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822083584 607283851 /nfs/dbraw/zinc/28/38/51/607283851.db2.gz CULLVQYCVPIYMI-PHIMTYICSA-N -1 3 314.393 2.685 20 0 DFADHM FC(F)(F)c1cccc(CNc2cnccc2-c2nn[n-]n2)c1 ZINC000826369111 607838500 /nfs/dbraw/zinc/83/85/00/607838500.db2.gz NEXCKXPMBGULMN-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM Cc1c(NC(=O)N2CCC(C)(C)CC2)cccc1-c1nnn[n-]1 ZINC000822085392 607286777 /nfs/dbraw/zinc/28/67/77/607286777.db2.gz YXXMVHFCMLUOIH-UHFFFAOYSA-N -1 3 314.393 2.829 20 0 DFADHM Cc1c(NC(=O)N2CCC(C)(C)CC2)cccc1-c1nn[n-]n1 ZINC000822085392 607286778 /nfs/dbraw/zinc/28/67/78/607286778.db2.gz YXXMVHFCMLUOIH-UHFFFAOYSA-N -1 3 314.393 2.829 20 0 DFADHM O=C([O-])CCN[C@@H]1CCc2c1c(Br)ccc2F ZINC000821524824 597454934 /nfs/dbraw/zinc/45/49/34/597454934.db2.gz HOGMEAFMENZFJB-SNVBAGLBSA-N -1 3 302.143 2.640 20 0 DFADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821836020 607308880 /nfs/dbraw/zinc/30/88/80/607308880.db2.gz YBKKDFIMIFCMBA-UHFFFAOYSA-N -1 3 305.338 2.688 20 0 DFADHM CN(C)c1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821589293 607310597 /nfs/dbraw/zinc/31/05/97/607310597.db2.gz HEYNNBMRWFIQHS-UHFFFAOYSA-N -1 3 300.391 2.606 20 0 DFADHM CN(C)c1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821589293 607310598 /nfs/dbraw/zinc/31/05/98/607310598.db2.gz HEYNNBMRWFIQHS-UHFFFAOYSA-N -1 3 300.391 2.606 20 0 DFADHM Cc1nc2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2o1 ZINC000822462085 607311878 /nfs/dbraw/zinc/31/18/78/607311878.db2.gz DSKIWVXJTLKKOE-UHFFFAOYSA-N -1 3 312.358 2.990 20 0 DFADHM C[C@H](Sc1nncn1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192887 599287563 /nfs/dbraw/zinc/28/75/63/599287563.db2.gz OEBNTXISSDQLMO-VIFPVBQESA-N -1 3 313.390 2.646 20 0 DFADHM C[C@H](Sc1nncn1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192887 599287566 /nfs/dbraw/zinc/28/75/66/599287566.db2.gz OEBNTXISSDQLMO-VIFPVBQESA-N -1 3 313.390 2.646 20 0 DFADHM CC[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)OC ZINC000825159306 607844400 /nfs/dbraw/zinc/84/44/00/607844400.db2.gz NCBJESWZPMJOKV-VIFPVBQESA-N -1 3 312.782 2.564 20 0 DFADHM Cc1cn(CC(=O)Nc2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000822383778 607330185 /nfs/dbraw/zinc/33/01/85/607330185.db2.gz BYIPMZSFIWCMJP-UHFFFAOYSA-N -1 3 324.388 2.739 20 0 DFADHM Cc1cn(CC(=O)Nc2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000822383778 607330186 /nfs/dbraw/zinc/33/01/86/607330186.db2.gz BYIPMZSFIWCMJP-UHFFFAOYSA-N -1 3 324.388 2.739 20 0 DFADHM O=C([O-])c1cccc(CNCc2ccnc(N3CCCC3)c2)c1 ZINC000263414169 598202435 /nfs/dbraw/zinc/20/24/35/598202435.db2.gz MORUQVLGGJGJPH-UHFFFAOYSA-N -1 3 311.385 2.670 20 0 DFADHM COc1ccc([C@@H](CCO)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000263374977 598204865 /nfs/dbraw/zinc/20/48/65/598204865.db2.gz AHABQBJWLNTUMR-QGZVFWFLSA-N -1 3 315.369 2.607 20 0 DFADHM Cc1ccccc1OCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000737431722 598240873 /nfs/dbraw/zinc/24/08/73/598240873.db2.gz LRTXROICKJHALY-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC000737640793 598243545 /nfs/dbraw/zinc/24/35/45/598243545.db2.gz QKDJQIJWSCFVML-CQSZACIVSA-N -1 3 309.348 3.000 20 0 DFADHM CC[C@H](Nc1ncccc1-c1nnn[n-]1)c1nc(C)cs1 ZINC000736369789 598244973 /nfs/dbraw/zinc/24/49/73/598244973.db2.gz NLJBBRNBNVPYGT-JTQLQIEISA-N -1 3 301.379 2.590 20 0 DFADHM CC[C@H](Nc1ncccc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000736369789 598244974 /nfs/dbraw/zinc/24/49/74/598244974.db2.gz NLJBBRNBNVPYGT-JTQLQIEISA-N -1 3 301.379 2.590 20 0 DFADHM Cc1ccccc1C(C)(C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000737414943 598246890 /nfs/dbraw/zinc/24/68/90/598246890.db2.gz IIQQIFQKKBAIAY-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1ccccc1C(C)(C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000737414943 598246891 /nfs/dbraw/zinc/24/68/91/598246891.db2.gz IIQQIFQKKBAIAY-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM CCC1(C)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736398140 598280970 /nfs/dbraw/zinc/28/09/70/598280970.db2.gz YDIRIVDYRMIZPL-UHFFFAOYSA-N -1 3 314.393 2.911 20 0 DFADHM CCC1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736398140 598280972 /nfs/dbraw/zinc/28/09/72/598280972.db2.gz YDIRIVDYRMIZPL-UHFFFAOYSA-N -1 3 314.393 2.911 20 0 DFADHM CC[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000736333378 598297129 /nfs/dbraw/zinc/29/71/29/598297129.db2.gz PRGKEFQCHDGALX-NSHDSACASA-N -1 3 319.384 2.694 20 0 DFADHM CC[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000736333378 598297131 /nfs/dbraw/zinc/29/71/31/598297131.db2.gz PRGKEFQCHDGALX-NSHDSACASA-N -1 3 319.384 2.694 20 0 DFADHM CCCC[C@H](CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736440192 598301700 /nfs/dbraw/zinc/30/17/00/598301700.db2.gz XJUMKEAZTRLZLE-NSHDSACASA-N -1 3 319.384 2.838 20 0 DFADHM CCCC[C@H](CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736440192 598301702 /nfs/dbraw/zinc/30/17/02/598301702.db2.gz XJUMKEAZTRLZLE-NSHDSACASA-N -1 3 319.384 2.838 20 0 DFADHM CC[C@@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736323005 598315176 /nfs/dbraw/zinc/31/51/76/598315176.db2.gz AEXMIYJSCMDDTI-SSDOTTSWSA-N -1 3 310.814 2.605 20 0 DFADHM CC[C@@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736323005 598315178 /nfs/dbraw/zinc/31/51/78/598315178.db2.gz AEXMIYJSCMDDTI-SSDOTTSWSA-N -1 3 310.814 2.605 20 0 DFADHM CC[C@H](Nc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736367507 598312124 /nfs/dbraw/zinc/31/21/24/598312124.db2.gz BFJVTWWRAVDZTI-HNNXBMFYSA-N -1 3 322.372 2.696 20 0 DFADHM CC[C@H](Nc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736367507 598312126 /nfs/dbraw/zinc/31/21/26/598312126.db2.gz BFJVTWWRAVDZTI-HNNXBMFYSA-N -1 3 322.372 2.696 20 0 DFADHM Cc1noc([C@H](C)SCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737538940 598314142 /nfs/dbraw/zinc/31/41/42/598314142.db2.gz QVBCIGJAWJHVFA-QMMMGPOBSA-N -1 3 302.363 2.553 20 0 DFADHM Cc1noc([C@H](C)SCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737538940 598314144 /nfs/dbraw/zinc/31/41/44/598314144.db2.gz QVBCIGJAWJHVFA-QMMMGPOBSA-N -1 3 302.363 2.553 20 0 DFADHM COC(=O)c1coc(CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736956688 598315728 /nfs/dbraw/zinc/31/57/28/598315728.db2.gz ICHKMBXNIDNEMC-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM COC(=O)c1coc(CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736956688 598315729 /nfs/dbraw/zinc/31/57/29/598315729.db2.gz ICHKMBXNIDNEMC-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM C[C@@H]1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736277965 598323879 /nfs/dbraw/zinc/32/38/79/598323879.db2.gz OOSQTQLPCPWBML-MRVPVSSYSA-N -1 3 322.825 2.559 20 0 DFADHM C[C@@H]1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736277965 598323880 /nfs/dbraw/zinc/32/38/80/598323880.db2.gz OOSQTQLPCPWBML-MRVPVSSYSA-N -1 3 322.825 2.559 20 0 DFADHM CCCN(CC)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736472367 598323882 /nfs/dbraw/zinc/32/38/82/598323882.db2.gz UREIOTGVQYKZBI-UHFFFAOYSA-N -1 3 324.841 2.949 20 0 DFADHM CCCN(CC)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736472367 598323884 /nfs/dbraw/zinc/32/38/84/598323884.db2.gz UREIOTGVQYKZBI-UHFFFAOYSA-N -1 3 324.841 2.949 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(F)c1F ZINC000737294941 598327277 /nfs/dbraw/zinc/32/72/77/598327277.db2.gz UNFCLCUPTCNTKG-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(F)c1F ZINC000737294941 598327279 /nfs/dbraw/zinc/32/72/79/598327279.db2.gz UNFCLCUPTCNTKG-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM CCOCc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736624619 598328470 /nfs/dbraw/zinc/32/84/70/598328470.db2.gz AOMKROLRMRNCLS-UHFFFAOYSA-N -1 3 323.356 2.656 20 0 DFADHM CCOCc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736624619 598328472 /nfs/dbraw/zinc/32/84/72/598328472.db2.gz AOMKROLRMRNCLS-UHFFFAOYSA-N -1 3 323.356 2.656 20 0 DFADHM C[C@@H](NC(=O)N(C)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112078 598332344 /nfs/dbraw/zinc/33/23/44/598332344.db2.gz PJCXXZPSYWRMAN-LLVKDONJSA-N -1 3 314.393 2.512 20 0 DFADHM C[C@@H](NC(=O)N(C)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112078 598332346 /nfs/dbraw/zinc/33/23/46/598332346.db2.gz PJCXXZPSYWRMAN-LLVKDONJSA-N -1 3 314.393 2.512 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2C1 ZINC000737291465 598373038 /nfs/dbraw/zinc/37/30/38/598373038.db2.gz MBTMBJWKJMLPRA-UHFFFAOYSA-N -1 3 320.356 2.723 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2C1 ZINC000737291465 598373039 /nfs/dbraw/zinc/37/30/39/598373039.db2.gz MBTMBJWKJMLPRA-UHFFFAOYSA-N -1 3 320.356 2.723 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CC1(Cl)Cl ZINC000737558088 598386663 /nfs/dbraw/zinc/38/66/63/598386663.db2.gz KITHPJTVPBPMNG-LURJTMIESA-N -1 3 319.583 2.521 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CC1(Cl)Cl ZINC000737558088 598386665 /nfs/dbraw/zinc/38/66/65/598386665.db2.gz KITHPJTVPBPMNG-LURJTMIESA-N -1 3 319.583 2.521 20 0 DFADHM C[C@H](Cc1ccco1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736066482 598388900 /nfs/dbraw/zinc/38/89/00/598388900.db2.gz NLKUHSFMLDOXNS-MRVPVSSYSA-N -1 3 304.741 2.551 20 0 DFADHM C[C@H](Cc1ccco1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736066482 598388902 /nfs/dbraw/zinc/38/89/02/598388902.db2.gz NLKUHSFMLDOXNS-MRVPVSSYSA-N -1 3 304.741 2.551 20 0 DFADHM Fc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737661933 598389988 /nfs/dbraw/zinc/38/99/88/598389988.db2.gz RQNHQLHUQMUVNK-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737661933 598389989 /nfs/dbraw/zinc/38/99/89/598389989.db2.gz RQNHQLHUQMUVNK-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM O=C(CC1=CCCCC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737808025 598397593 /nfs/dbraw/zinc/39/75/93/598397593.db2.gz OVYOWXBBGQVMKO-UHFFFAOYSA-N -1 3 301.325 2.835 20 0 DFADHM O=C(CC1=CCCCC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737808025 598397595 /nfs/dbraw/zinc/39/75/95/598397595.db2.gz OVYOWXBBGQVMKO-UHFFFAOYSA-N -1 3 301.325 2.835 20 0 DFADHM CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000736424264 598414183 /nfs/dbraw/zinc/41/41/83/598414183.db2.gz PJLHXLKMQNZMMZ-GHMZBOCLSA-N -1 3 319.434 2.652 20 0 DFADHM CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000736424264 598414185 /nfs/dbraw/zinc/41/41/85/598414185.db2.gz PJLHXLKMQNZMMZ-GHMZBOCLSA-N -1 3 319.434 2.652 20 0 DFADHM CC/C=C/COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736408593 598414303 /nfs/dbraw/zinc/41/43/03/598414303.db2.gz FLOGFAANUGCPEB-ONEGZZNKSA-N -1 3 318.402 2.609 20 0 DFADHM CC/C=C/COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736408593 598414305 /nfs/dbraw/zinc/41/43/05/598414305.db2.gz FLOGFAANUGCPEB-ONEGZZNKSA-N -1 3 318.402 2.609 20 0 DFADHM Cc1cccc(N(C)CCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737397363 598421779 /nfs/dbraw/zinc/42/17/79/598421779.db2.gz WGEAADPTMVAKLZ-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM COc1ccc([C@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737072588 598435579 /nfs/dbraw/zinc/43/55/79/598435579.db2.gz NCVOPDVVRMTVJY-NSHDSACASA-N -1 3 324.340 2.584 20 0 DFADHM COc1ccc([C@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737072588 598435581 /nfs/dbraw/zinc/43/55/81/598435581.db2.gz NCVOPDVVRMTVJY-NSHDSACASA-N -1 3 324.340 2.584 20 0 DFADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1cc(C)ccc1C ZINC000736506458 598442853 /nfs/dbraw/zinc/44/28/53/598442853.db2.gz YUEKALHGBHDYNL-UHFFFAOYSA-N -1 3 322.372 2.545 20 0 DFADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1cc(C)ccc1C ZINC000736506458 598442855 /nfs/dbraw/zinc/44/28/55/598442855.db2.gz YUEKALHGBHDYNL-UHFFFAOYSA-N -1 3 322.372 2.545 20 0 DFADHM C[C@@H](CN(C)C(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736001420 598445065 /nfs/dbraw/zinc/44/50/65/598445065.db2.gz PDACBZFOYQZDLA-ZDUSSCGKSA-N -1 3 321.384 2.742 20 0 DFADHM C[C@@H](CN(C)C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736001420 598445066 /nfs/dbraw/zinc/44/50/66/598445066.db2.gz PDACBZFOYQZDLA-ZDUSSCGKSA-N -1 3 321.384 2.742 20 0 DFADHM CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCC[C@@H]1C ZINC000736508030 598445837 /nfs/dbraw/zinc/44/58/37/598445837.db2.gz IHPQTCRQZRMBKL-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCC[C@@H]1C ZINC000736508030 598445838 /nfs/dbraw/zinc/44/58/38/598445838.db2.gz IHPQTCRQZRMBKL-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736313594 598454649 /nfs/dbraw/zinc/45/46/49/598454649.db2.gz GXKMGIJHCOPLQH-SFHVURJKSA-N -1 3 321.384 2.922 20 0 DFADHM CC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736313594 598454651 /nfs/dbraw/zinc/45/46/51/598454651.db2.gz GXKMGIJHCOPLQH-SFHVURJKSA-N -1 3 321.384 2.922 20 0 DFADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)o1 ZINC000737238759 598489535 /nfs/dbraw/zinc/48/95/35/598489535.db2.gz SEEGQLOUSKBQCQ-JTQLQIEISA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC000737238759 598489537 /nfs/dbraw/zinc/48/95/37/598489537.db2.gz SEEGQLOUSKBQCQ-JTQLQIEISA-N -1 3 312.329 2.995 20 0 DFADHM CC(C)(C)OCCSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735640029 598511294 /nfs/dbraw/zinc/51/12/94/598511294.db2.gz VHEFJMMZWFBRCI-UHFFFAOYSA-N -1 3 322.434 2.794 20 0 DFADHM CC(C)(C)OCCSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735640029 598511296 /nfs/dbraw/zinc/51/12/96/598511296.db2.gz VHEFJMMZWFBRCI-UHFFFAOYSA-N -1 3 322.434 2.794 20 0 DFADHM CC(C)c1nc(CSCc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000735941415 598511451 /nfs/dbraw/zinc/51/14/51/598511451.db2.gz XOEAJERAHADCOP-UHFFFAOYSA-N -1 3 316.390 2.807 20 0 DFADHM CC(C)c1nc(CSCc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000735941415 598511453 /nfs/dbraw/zinc/51/14/53/598511453.db2.gz XOEAJERAHADCOP-UHFFFAOYSA-N -1 3 316.390 2.807 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)OC(C)(C)C ZINC000736626328 598515905 /nfs/dbraw/zinc/51/59/05/598515905.db2.gz GQVUCEYONVQZEI-UHFFFAOYSA-N -1 3 306.322 2.579 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)OC(C)(C)C ZINC000736626328 598515907 /nfs/dbraw/zinc/51/59/07/598515907.db2.gz GQVUCEYONVQZEI-UHFFFAOYSA-N -1 3 306.322 2.579 20 0 DFADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736441109 598519615 /nfs/dbraw/zinc/51/96/15/598519615.db2.gz NLXPRTQHEMPHQH-IUODEOHRSA-N -1 3 313.405 2.955 20 0 DFADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736441109 598519617 /nfs/dbraw/zinc/51/96/17/598519617.db2.gz NLXPRTQHEMPHQH-IUODEOHRSA-N -1 3 313.405 2.955 20 0 DFADHM COc1ccccc1[C@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC000737145600 598522483 /nfs/dbraw/zinc/52/24/83/598522483.db2.gz DAXKGKGKXRLKMK-CQSZACIVSA-N -1 3 322.372 2.612 20 0 DFADHM COc1ccccc1[C@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC000737145600 598522485 /nfs/dbraw/zinc/52/24/85/598522485.db2.gz DAXKGKGKXRLKMK-CQSZACIVSA-N -1 3 322.372 2.612 20 0 DFADHM CC1(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCCC1 ZINC000736216997 598543190 /nfs/dbraw/zinc/54/31/90/598543190.db2.gz PEKRYUKQHJXQKB-UHFFFAOYSA-N -1 3 318.356 2.708 20 0 DFADHM CC1(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC000736216997 598543191 /nfs/dbraw/zinc/54/31/91/598543191.db2.gz PEKRYUKQHJXQKB-UHFFFAOYSA-N -1 3 318.356 2.708 20 0 DFADHM Fc1cc(OC[C@@H]2CC2(Cl)Cl)ccc1-c1nnn[n-]1 ZINC000737653828 598550373 /nfs/dbraw/zinc/55/03/73/598550373.db2.gz SQJWLBCVYHKWMT-LURJTMIESA-N -1 3 303.124 2.578 20 0 DFADHM Fc1cc(OC[C@@H]2CC2(Cl)Cl)ccc1-c1nn[n-]n1 ZINC000737653828 598550374 /nfs/dbraw/zinc/55/03/74/598550374.db2.gz SQJWLBCVYHKWMT-LURJTMIESA-N -1 3 303.124 2.578 20 0 DFADHM Cc1cc(C)cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737253018 598591952 /nfs/dbraw/zinc/59/19/52/598591952.db2.gz NQOMLYQGCXCVJQ-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cc(C)cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737253018 598591954 /nfs/dbraw/zinc/59/19/54/598591954.db2.gz NQOMLYQGCXCVJQ-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cccc2nc(CNc3ccc(-c4nn[n-]n4)cc3F)cn21 ZINC000737416569 598593749 /nfs/dbraw/zinc/59/37/49/598593749.db2.gz CFTRRTTUMQMQOJ-UHFFFAOYSA-N -1 3 323.335 2.574 20 0 DFADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736436422 598608855 /nfs/dbraw/zinc/60/88/55/598608855.db2.gz QOGBMKSONCQADT-WFASDCNBSA-N -1 3 313.405 2.955 20 0 DFADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736436422 598608856 /nfs/dbraw/zinc/60/88/56/598608856.db2.gz QOGBMKSONCQADT-WFASDCNBSA-N -1 3 313.405 2.955 20 0 DFADHM O=C(NC1CC(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738019932 598612552 /nfs/dbraw/zinc/61/25/52/598612552.db2.gz MKOSGOIMRKMNQF-UHFFFAOYSA-N -1 3 319.368 2.543 20 0 DFADHM O=C(NC1CC(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738019932 598612553 /nfs/dbraw/zinc/61/25/53/598612553.db2.gz MKOSGOIMRKMNQF-UHFFFAOYSA-N -1 3 319.368 2.543 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736265673 598627626 /nfs/dbraw/zinc/62/76/26/598627626.db2.gz LBDPOSVRMKTXQG-SNVBAGLBSA-N -1 3 318.356 2.660 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736265673 598627628 /nfs/dbraw/zinc/62/76/28/598627628.db2.gz LBDPOSVRMKTXQG-SNVBAGLBSA-N -1 3 318.356 2.660 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(NCCCOCC2CC2)c1 ZINC000737570628 598630586 /nfs/dbraw/zinc/63/05/86/598630586.db2.gz IYRSMPGLPMXUPF-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(NCCCOCC2CC2)c1 ZINC000737570628 598630588 /nfs/dbraw/zinc/63/05/88/598630588.db2.gz IYRSMPGLPMXUPF-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM Cc1ccc(OCCNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737365668 598631783 /nfs/dbraw/zinc/63/17/83/598631783.db2.gz LPMSDINQUZBCIV-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1ccc(OCCNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737365668 598631785 /nfs/dbraw/zinc/63/17/85/598631785.db2.gz LPMSDINQUZBCIV-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1CCCCCC1 ZINC000738166736 598631888 /nfs/dbraw/zinc/63/18/88/598631888.db2.gz MZSHJNLSVQEMCW-UHFFFAOYSA-N -1 3 318.356 2.850 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1CCCCCC1 ZINC000738166736 598631889 /nfs/dbraw/zinc/63/18/89/598631889.db2.gz MZSHJNLSVQEMCW-UHFFFAOYSA-N -1 3 318.356 2.850 20 0 DFADHM Cc1noc(C)c1CN(C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000737538127 598633354 /nfs/dbraw/zinc/63/33/54/598633354.db2.gz RZGRLMIPCMNHHR-UHFFFAOYSA-N -1 3 318.768 2.761 20 0 DFADHM Cc1noc(C)c1CN(C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000737538127 598633355 /nfs/dbraw/zinc/63/33/55/598633355.db2.gz RZGRLMIPCMNHHR-UHFFFAOYSA-N -1 3 318.768 2.761 20 0 DFADHM Fc1ccc(COc2cccc(F)c2F)c(-c2nnn[n-]2)c1 ZINC000737648099 598646007 /nfs/dbraw/zinc/64/60/07/598646007.db2.gz FSXFFZXOZSUMGI-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(COc2cccc(F)c2F)c(-c2nn[n-]n2)c1 ZINC000737648099 598646009 /nfs/dbraw/zinc/64/60/09/598646009.db2.gz FSXFFZXOZSUMGI-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CC(C)c1nccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735942864 598649290 /nfs/dbraw/zinc/64/92/90/598649290.db2.gz NMFQNENHCCEIFY-NSHDSACASA-N -1 3 309.377 2.953 20 0 DFADHM CC(C)c1nccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735942864 598649291 /nfs/dbraw/zinc/64/92/91/598649291.db2.gz NMFQNENHCCEIFY-NSHDSACASA-N -1 3 309.377 2.953 20 0 DFADHM Cc1ccc2oc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)cc2c1 ZINC000737372981 598662536 /nfs/dbraw/zinc/66/25/36/598662536.db2.gz AIWXPNBKLFDKAM-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1ccc2oc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)cc2c1 ZINC000737372981 598662538 /nfs/dbraw/zinc/66/25/38/598662538.db2.gz AIWXPNBKLFDKAM-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1cccc2[nH]cc(CCNc3ncccc3-c3nnn[n-]3)c21 ZINC000737407216 598674224 /nfs/dbraw/zinc/67/42/24/598674224.db2.gz AZSFFAOPQUGFMS-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1cccc2[nH]cc(CCNc3ncccc3-c3nn[n-]n3)c21 ZINC000737407216 598674226 /nfs/dbraw/zinc/67/42/26/598674226.db2.gz AZSFFAOPQUGFMS-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM COc1ccccc1N(C)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000737151712 598682399 /nfs/dbraw/zinc/68/23/99/598682399.db2.gz FYBKACBPWPAOMJ-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM COc1ccccc1N(C)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000737151712 598682400 /nfs/dbraw/zinc/68/24/00/598682400.db2.gz FYBKACBPWPAOMJ-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000738234409 598703795 /nfs/dbraw/zinc/70/37/95/598703795.db2.gz FOUFPJWHAAMQLF-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000738234409 598703797 /nfs/dbraw/zinc/70/37/97/598703797.db2.gz FOUFPJWHAAMQLF-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM CCc1nc([C@H](C)NCc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736699341 598714274 /nfs/dbraw/zinc/71/42/74/598714274.db2.gz NISOGDZTMHRQLL-JTQLQIEISA-N -1 3 314.418 2.736 20 0 DFADHM CC[C@H](C)CN(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736323703 598717134 /nfs/dbraw/zinc/71/71/34/598717134.db2.gz XZZZKUBKPJAZES-RYUDHWBXSA-N -1 3 316.409 2.615 20 0 DFADHM CC[C@H](C)CN(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736323703 598717136 /nfs/dbraw/zinc/71/71/36/598717136.db2.gz XZZZKUBKPJAZES-RYUDHWBXSA-N -1 3 316.409 2.615 20 0 DFADHM Fc1ccc(CCNc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000737647481 598756417 /nfs/dbraw/zinc/75/64/17/598756417.db2.gz FAQYUFFGUAGSOU-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1ccc(CCNc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000737647481 598756418 /nfs/dbraw/zinc/75/64/18/598756418.db2.gz FAQYUFFGUAGSOU-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736333876 598774798 /nfs/dbraw/zinc/77/47/98/598774798.db2.gz VRZGDICDXCJVKP-OTYXRUKQSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736333876 598774799 /nfs/dbraw/zinc/77/47/99/598774799.db2.gz VRZGDICDXCJVKP-OTYXRUKQSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736333898 598774871 /nfs/dbraw/zinc/77/48/71/598774871.db2.gz VWOWQLMHYCOYMF-OTYXRUKQSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736333898 598774872 /nfs/dbraw/zinc/77/48/72/598774872.db2.gz VWOWQLMHYCOYMF-OTYXRUKQSA-N -1 3 309.801 2.729 20 0 DFADHM Fc1cccc(CCNc2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000737640742 598774880 /nfs/dbraw/zinc/77/48/80/598774880.db2.gz OIFRHPISEXTDHF-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Cc1cnccc1CCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826319532 607850650 /nfs/dbraw/zinc/85/06/50/607850650.db2.gz HEULXLIFMRXZEL-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1cnccc1CCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826319532 607850651 /nfs/dbraw/zinc/85/06/51/607850651.db2.gz HEULXLIFMRXZEL-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1cccc2c1CCN(c1cccc(F)c1-c1nnn[n-]1)C2 ZINC000737409777 598798256 /nfs/dbraw/zinc/79/82/56/598798256.db2.gz RKNTXNWWUFHXMQ-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1cccc2c1CCN(c1cccc(F)c1-c1nn[n-]n1)C2 ZINC000737409777 598798258 /nfs/dbraw/zinc/79/82/58/598798258.db2.gz RKNTXNWWUFHXMQ-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1ccccc1CN(c1ncccc1-c1nnn[n-]1)C1CC1 ZINC000737428660 598815541 /nfs/dbraw/zinc/81/55/41/598815541.db2.gz SJLVGEOTZNBAOV-UHFFFAOYSA-N -1 3 306.373 2.739 20 0 DFADHM Cc1ccccc1CN(c1ncccc1-c1nn[n-]n1)C1CC1 ZINC000737428660 598815542 /nfs/dbraw/zinc/81/55/42/598815542.db2.gz SJLVGEOTZNBAOV-UHFFFAOYSA-N -1 3 306.373 2.739 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@H](C)C[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000737520817 598817668 /nfs/dbraw/zinc/81/76/68/598817668.db2.gz LQNKIBFKWFFCHH-HOTUBEGUSA-N -1 3 301.398 2.510 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@H](C)C[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000737520817 598817666 /nfs/dbraw/zinc/81/76/66/598817666.db2.gz LQNKIBFKWFFCHH-HOTUBEGUSA-N -1 3 301.398 2.510 20 0 DFADHM Cc1ccc([C@H]2CCCCN2c2ccc(-c3nnn[n-]3)cn2)o1 ZINC000737328132 599297353 /nfs/dbraw/zinc/29/73/53/599297353.db2.gz CPCDJHHCTCHYKZ-CYBMUJFWSA-N -1 3 310.361 2.895 20 0 DFADHM Cc1ccc([C@H]2CCCCN2c2ccc(-c3nn[n-]n3)cn2)o1 ZINC000737328132 599297355 /nfs/dbraw/zinc/29/73/55/599297355.db2.gz CPCDJHHCTCHYKZ-CYBMUJFWSA-N -1 3 310.361 2.895 20 0 DFADHM CC(C)(CNc1ccc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC000735671569 599305775 /nfs/dbraw/zinc/30/57/75/599305775.db2.gz ZRUKGOWXBIWHLD-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CC(C)(CNc1ccc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC000735671569 599305777 /nfs/dbraw/zinc/30/57/77/599305777.db2.gz ZRUKGOWXBIWHLD-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CCN(C(=O)CSC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504638 599311627 /nfs/dbraw/zinc/31/16/27/599311627.db2.gz HFMWMSOIOLDPON-UHFFFAOYSA-N -1 3 319.434 2.751 20 0 DFADHM CCN(C(=O)CSC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504638 599311630 /nfs/dbraw/zinc/31/16/30/599311630.db2.gz HFMWMSOIOLDPON-UHFFFAOYSA-N -1 3 319.434 2.751 20 0 DFADHM CCN(C(=O)c1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506390 599312121 /nfs/dbraw/zinc/31/21/21/599312121.db2.gz WWHSIJSQFZOINU-UHFFFAOYSA-N -1 3 307.357 2.842 20 0 DFADHM CCN(C(=O)c1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506390 599312124 /nfs/dbraw/zinc/31/21/24/599312124.db2.gz WWHSIJSQFZOINU-UHFFFAOYSA-N -1 3 307.357 2.842 20 0 DFADHM CCc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736692860 599326002 /nfs/dbraw/zinc/32/60/02/599326002.db2.gz ZPFLONJPEMCFFZ-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM CCc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736692860 599326006 /nfs/dbraw/zinc/32/60/06/599326006.db2.gz ZPFLONJPEMCFFZ-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccsc1 ZINC000737949034 599344649 /nfs/dbraw/zinc/34/46/49/599344649.db2.gz VUQGONOWGBQUSU-UHFFFAOYSA-N -1 3 317.399 2.659 20 0 DFADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccsc1 ZINC000737949034 599344652 /nfs/dbraw/zinc/34/46/52/599344652.db2.gz VUQGONOWGBQUSU-UHFFFAOYSA-N -1 3 317.399 2.659 20 0 DFADHM CCC(C)(C)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736316399 599345855 /nfs/dbraw/zinc/34/58/55/599345855.db2.gz YZIRCEVBQFUZOC-UHFFFAOYSA-N -1 3 319.434 2.606 20 0 DFADHM CCC(C)(C)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736316399 599345857 /nfs/dbraw/zinc/34/58/57/599345857.db2.gz YZIRCEVBQFUZOC-UHFFFAOYSA-N -1 3 319.434 2.606 20 0 DFADHM CCCC[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)OC ZINC000821042985 599346914 /nfs/dbraw/zinc/34/69/14/599346914.db2.gz JXMHWLWVMKNUON-GFCCVEGCSA-N -1 3 306.391 2.691 20 0 DFADHM CCCC[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)OC ZINC000821042985 599346916 /nfs/dbraw/zinc/34/69/16/599346916.db2.gz JXMHWLWVMKNUON-GFCCVEGCSA-N -1 3 306.391 2.691 20 0 DFADHM CCC(CC)NC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000820898026 599349847 /nfs/dbraw/zinc/34/98/47/599349847.db2.gz SKHTZAQZKDRREI-SNVBAGLBSA-N -1 3 319.434 2.652 20 0 DFADHM CCC(CC)NC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000820898026 599349849 /nfs/dbraw/zinc/34/98/49/599349849.db2.gz SKHTZAQZKDRREI-SNVBAGLBSA-N -1 3 319.434 2.652 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820460850 599359805 /nfs/dbraw/zinc/35/98/05/599359805.db2.gz CHRJQUCUEXYKJQ-SNVBAGLBSA-N -1 3 309.329 2.769 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820460850 599359807 /nfs/dbraw/zinc/35/98/07/599359807.db2.gz CHRJQUCUEXYKJQ-SNVBAGLBSA-N -1 3 309.329 2.769 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)c2sccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736244753 599375755 /nfs/dbraw/zinc/37/57/55/599375755.db2.gz MWMYZQUTHSZDKB-WCABBAIRSA-N -1 3 306.391 2.910 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000736244695 599375930 /nfs/dbraw/zinc/37/59/30/599375930.db2.gz MCVABQUVXCKNFG-LALPHHSUSA-N -1 3 314.389 2.777 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000736244695 599375933 /nfs/dbraw/zinc/37/59/33/599375933.db2.gz MCVABQUVXCKNFG-LALPHHSUSA-N -1 3 314.389 2.777 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(F)c(F)c1 ZINC000821749771 607377297 /nfs/dbraw/zinc/37/72/97/607377297.db2.gz XKIZZNWXDKNPSC-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(F)c(F)c1 ZINC000821749771 607377299 /nfs/dbraw/zinc/37/72/99/607377299.db2.gz XKIZZNWXDKNPSC-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CSCC(=O)C(C)(C)C ZINC000821749312 607378445 /nfs/dbraw/zinc/37/84/45/607378445.db2.gz GKQLQRYMYKTINS-UHFFFAOYSA-N -1 3 320.418 2.724 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSCC(=O)C(C)(C)C ZINC000821749312 607378447 /nfs/dbraw/zinc/37/84/47/607378447.db2.gz GKQLQRYMYKTINS-UHFFFAOYSA-N -1 3 320.418 2.724 20 0 DFADHM CC(C)(C)C[C@@H](O)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735604767 599440250 /nfs/dbraw/zinc/44/02/50/599440250.db2.gz YJWNRLWAZHMZBJ-SNVBAGLBSA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)(C)C[C@@H](O)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735604767 599440253 /nfs/dbraw/zinc/44/02/53/599440253.db2.gz YJWNRLWAZHMZBJ-SNVBAGLBSA-N -1 3 309.801 2.729 20 0 DFADHM Cc1cccnc1[C@@H](NCc1ccc(-c2nnn[n-]2)o1)C(C)C ZINC000822369860 599440728 /nfs/dbraw/zinc/44/07/28/599440728.db2.gz NQAWASUBHUZRIB-AWEZNQCLSA-N -1 3 312.377 2.650 20 0 DFADHM Cc1cccnc1[C@@H](NCc1ccc(-c2nn[n-]n2)o1)C(C)C ZINC000822369860 599440730 /nfs/dbraw/zinc/44/07/30/599440730.db2.gz NQAWASUBHUZRIB-AWEZNQCLSA-N -1 3 312.377 2.650 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1cccnc1Cl ZINC000821749579 607379346 /nfs/dbraw/zinc/37/93/46/607379346.db2.gz SRNJVYOXQZRBJG-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM CCc1nc(CCNc2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000821505439 599517960 /nfs/dbraw/zinc/51/79/60/599517960.db2.gz QEPLNVWAFRCOGW-UHFFFAOYSA-N -1 3 318.381 2.679 20 0 DFADHM CCc1nc(CCNc2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000821505439 599517962 /nfs/dbraw/zinc/51/79/62/599517962.db2.gz QEPLNVWAFRCOGW-UHFFFAOYSA-N -1 3 318.381 2.679 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCC[C@H]1C ZINC000822336088 599528686 /nfs/dbraw/zinc/52/86/86/599528686.db2.gz OAZQETPCZIRZII-QMTHXVAHSA-N -1 3 308.389 2.746 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCC[C@H]1C ZINC000822336088 599528690 /nfs/dbraw/zinc/52/86/90/599528690.db2.gz OAZQETPCZIRZII-QMTHXVAHSA-N -1 3 308.389 2.746 20 0 DFADHM Cc1ccc(C[C@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737336161 599531424 /nfs/dbraw/zinc/53/14/24/599531424.db2.gz YFPZQUFXLVNLSI-ZDUSSCGKSA-N -1 3 308.389 2.638 20 0 DFADHM Cc1ccc(C[C@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737336161 599531425 /nfs/dbraw/zinc/53/14/25/599531425.db2.gz YFPZQUFXLVNLSI-ZDUSSCGKSA-N -1 3 308.389 2.638 20 0 DFADHM Cc1noc(C)c1CCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822523118 599545431 /nfs/dbraw/zinc/54/54/31/599545431.db2.gz QJHFOYFYZBSINU-UHFFFAOYSA-N -1 3 318.768 2.780 20 0 DFADHM Cc1noc(C)c1CCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822523118 599545433 /nfs/dbraw/zinc/54/54/33/599545433.db2.gz QJHFOYFYZBSINU-UHFFFAOYSA-N -1 3 318.768 2.780 20 0 DFADHM CC[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000820995619 599549385 /nfs/dbraw/zinc/54/93/85/599549385.db2.gz VCESJJDPWBCWTE-VHSXEESVSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000820995619 599549386 /nfs/dbraw/zinc/54/93/86/599549386.db2.gz VCESJJDPWBCWTE-VHSXEESVSA-N -1 3 307.785 2.524 20 0 DFADHM CCOC[C@@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821368143 599557528 /nfs/dbraw/zinc/55/75/28/599557528.db2.gz RHVMXTOVYGKUJB-LLVKDONJSA-N -1 3 321.812 2.773 20 0 DFADHM CCOC[C@@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821368143 599557529 /nfs/dbraw/zinc/55/75/29/599557529.db2.gz RHVMXTOVYGKUJB-LLVKDONJSA-N -1 3 321.812 2.773 20 0 DFADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N[C@H]3CC=CCC3)c2c1 ZINC000822195023 599563807 /nfs/dbraw/zinc/56/38/07/599563807.db2.gz DOQLHLPEOANFFG-ZDUSSCGKSA-N -1 3 320.400 2.974 20 0 DFADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N[C@H]3CC=CCC3)c2c1 ZINC000822195023 599563809 /nfs/dbraw/zinc/56/38/09/599563809.db2.gz DOQLHLPEOANFFG-ZDUSSCGKSA-N -1 3 320.400 2.974 20 0 DFADHM Cc1noc(C)c1C[C@@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822522070 599566320 /nfs/dbraw/zinc/56/63/20/599566320.db2.gz CZYTXNSRPWKRIM-MRVPVSSYSA-N -1 3 316.340 2.654 20 0 DFADHM Cc1noc(C)c1C[C@@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822522070 599566324 /nfs/dbraw/zinc/56/63/24/599566324.db2.gz CZYTXNSRPWKRIM-MRVPVSSYSA-N -1 3 316.340 2.654 20 0 DFADHM CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccncc1 ZINC000820924837 599573912 /nfs/dbraw/zinc/57/39/12/599573912.db2.gz AEERUXKCUMDIET-LBPRGKRZSA-N -1 3 315.768 2.873 20 0 DFADHM CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccncc1 ZINC000820924837 599573914 /nfs/dbraw/zinc/57/39/14/599573914.db2.gz AEERUXKCUMDIET-LBPRGKRZSA-N -1 3 315.768 2.873 20 0 DFADHM Cc1cccc2c(CCNc3ccc(-c4nnn[n-]4)cn3)c[nH]c21 ZINC000822332319 599579755 /nfs/dbraw/zinc/57/97/55/599579755.db2.gz OHBBTLPJYGCYFM-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1cccc2c(CCNc3ccc(-c4nn[n-]n4)cn3)c[nH]c21 ZINC000822332319 599579757 /nfs/dbraw/zinc/57/97/57/599579757.db2.gz OHBBTLPJYGCYFM-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM c1ccc(CC2(CNc3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000823780187 607385966 /nfs/dbraw/zinc/38/59/66/607385966.db2.gz PGAQBSSDMPBRHR-UHFFFAOYSA-N -1 3 306.373 2.697 20 0 DFADHM c1ccc(CC2(CNc3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000823780187 607385968 /nfs/dbraw/zinc/38/59/68/607385968.db2.gz PGAQBSSDMPBRHR-UHFFFAOYSA-N -1 3 306.373 2.697 20 0 DFADHM CC(C)(C)CCC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000735602256 599606673 /nfs/dbraw/zinc/60/66/73/599606673.db2.gz BTQOSFDEVJMLSG-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CC(C)(C)CCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000735602256 599606675 /nfs/dbraw/zinc/60/66/75/599606675.db2.gz BTQOSFDEVJMLSG-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCC1 ZINC000823303069 599633294 /nfs/dbraw/zinc/63/32/94/599633294.db2.gz CXMROEVOKSGANY-UHFFFAOYSA-N -1 3 311.267 2.624 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCC1 ZINC000823303069 599633295 /nfs/dbraw/zinc/63/32/95/599633295.db2.gz CXMROEVOKSGANY-UHFFFAOYSA-N -1 3 311.267 2.624 20 0 DFADHM CC(C)=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820005699 599633433 /nfs/dbraw/zinc/63/34/33/599633433.db2.gz WMSCCXAVYRHOAB-UHFFFAOYSA-N -1 3 311.267 2.790 20 0 DFADHM CC(C)=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820005699 599633434 /nfs/dbraw/zinc/63/34/34/599633434.db2.gz WMSCCXAVYRHOAB-UHFFFAOYSA-N -1 3 311.267 2.790 20 0 DFADHM CC(C)C[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820067206 599646870 /nfs/dbraw/zinc/64/68/70/599646870.db2.gz GGSGHUPEOIMQMB-GFCCVEGCSA-N -1 3 314.393 2.767 20 0 DFADHM CC(C)C[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820067206 599646871 /nfs/dbraw/zinc/64/68/71/599646871.db2.gz GGSGHUPEOIMQMB-GFCCVEGCSA-N -1 3 314.393 2.767 20 0 DFADHM C[C@H](NC(=O)N(C)C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339491 599679937 /nfs/dbraw/zinc/67/99/37/599679937.db2.gz CXVATQITNDIGPB-NSHDSACASA-N -1 3 314.393 2.512 20 0 DFADHM C[C@H](NC(=O)N(C)C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339491 599679938 /nfs/dbraw/zinc/67/99/38/599679938.db2.gz CXVATQITNDIGPB-NSHDSACASA-N -1 3 314.393 2.512 20 0 DFADHM CCCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000821081827 599681535 /nfs/dbraw/zinc/68/15/35/599681535.db2.gz 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C[C@H]1CC(Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H](C)O1 ZINC000824892427 608444017 /nfs/dbraw/zinc/44/40/17/608444017.db2.gz ICUXRQDMJZEVAN-IUCAKERBSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(Cn2cccn2)CC1 ZINC000736716669 599918668 /nfs/dbraw/zinc/91/86/68/599918668.db2.gz IOKHQWHNODOEND-GFCCVEGCSA-N -1 3 303.362 2.648 20 0 DFADHM CCc1nccn1[C@@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000737285398 599919638 /nfs/dbraw/zinc/91/96/38/599919638.db2.gz RVSARQXKNPDRGH-CYBMUJFWSA-N -1 3 317.389 2.882 20 0 DFADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c(C)o1 ZINC000826261656 607407323 /nfs/dbraw/zinc/40/73/23/607407323.db2.gz MHOXVBCGGYPVMH-UHFFFAOYSA-N -1 3 312.329 2.742 20 0 DFADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c(C)o1 ZINC000826261656 607407324 /nfs/dbraw/zinc/40/73/24/607407324.db2.gz MHOXVBCGGYPVMH-UHFFFAOYSA-N -1 3 312.329 2.742 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCC(C)(C)C ZINC000821742032 607418462 /nfs/dbraw/zinc/41/84/62/607418462.db2.gz 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CC(C)C[C@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824228040 607439705 /nfs/dbraw/zinc/43/97/05/607439705.db2.gz DKVPPSBKQCCDGC-LBPRGKRZSA-N -1 3 301.394 2.902 20 0 DFADHM C[C@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)N1CCCCCC1 ZINC000736214379 600409397 /nfs/dbraw/zinc/40/93/97/600409397.db2.gz DTRQEINWNLDUAL-CQSZACIVSA-N -1 3 318.417 2.907 20 0 DFADHM COCc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737834385 600422557 /nfs/dbraw/zinc/42/25/57/600422557.db2.gz SEJIXBNTDUKAQD-INIZCTEOSA-N -1 3 303.333 2.888 20 0 DFADHM COCCOc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000737821163 600427258 /nfs/dbraw/zinc/42/72/58/600427258.db2.gz ONEAYQLUJTXXBL-QGZVFWFLSA-N -1 3 315.369 2.627 20 0 DFADHM O=C([O-])[C@H](NCc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000321278270 600432633 /nfs/dbraw/zinc/43/26/33/600432633.db2.gz FSDRMDFHKLJEDY-QGZVFWFLSA-N -1 3 313.353 2.763 20 0 DFADHM CCOc1ccccc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000737210146 600514578 /nfs/dbraw/zinc/51/45/78/600514578.db2.gz AGUULKGORHAXJK-HNNXBMFYSA-N -1 3 307.390 2.541 20 0 DFADHM CC[C@@H](C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)N(CC)CC ZINC000736849275 600565431 /nfs/dbraw/zinc/56/54/31/600565431.db2.gz QGXBNTBEHSPZCX-AWEZNQCLSA-N -1 3 307.394 2.860 20 0 DFADHM CC[C@H]1CCCCCN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736939892 600574307 /nfs/dbraw/zinc/57/43/07/600574307.db2.gz BTJCSGFFXQOCJS-HNNXBMFYSA-N -1 3 304.390 2.978 20 0 DFADHM O=C([O-])COc1cccc(CNCc2cccc3cc[nH]c32)c1 ZINC000739833383 600640402 /nfs/dbraw/zinc/64/04/02/600640402.db2.gz RJAXSPVSXGAATM-UHFFFAOYSA-N -1 3 310.353 2.921 20 0 DFADHM O=C([O-])[C@H](N[C@@H]1CCN(c2ccccc2)C1)c1ccccc1F ZINC000833168004 600747991 /nfs/dbraw/zinc/74/79/91/600747991.db2.gz RWVLKTKRVRNUKL-CXAGYDPISA-N -1 3 314.360 2.820 20 0 DFADHM CCN(C(=O)[C@@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366822 607796228 /nfs/dbraw/zinc/79/62/28/607796228.db2.gz GFNAJKXVVIPODO-AWEZNQCLSA-N -1 3 311.389 2.800 20 0 DFADHM CCN(C(=O)[C@@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366822 607796229 /nfs/dbraw/zinc/79/62/29/607796229.db2.gz GFNAJKXVVIPODO-AWEZNQCLSA-N -1 3 311.389 2.800 20 0 DFADHM Cn1cccc1CN[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000833059802 600762586 /nfs/dbraw/zinc/76/25/86/600762586.db2.gz YKKCPBSLZYDTDP-CYBMUJFWSA-N -1 3 323.190 2.703 20 0 DFADHM CCC[C@](C)(NCc1ccn(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000829201877 600832440 /nfs/dbraw/zinc/83/24/40/600832440.db2.gz HHVCDWBQMFNGJV-INIZCTEOSA-N -1 3 305.353 2.744 20 0 DFADHM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000828213828 600970241 /nfs/dbraw/zinc/97/02/41/600970241.db2.gz DUDVRDBVQGELEW-CHWSQXEVSA-N -1 3 318.417 2.860 20 0 DFADHM O=C([O-])c1ccc(NC(=O)CN2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000833105179 601017628 /nfs/dbraw/zinc/01/76/28/601017628.db2.gz JJOHJZLQCMSCMU-DOMZBBRYSA-N -1 3 302.374 2.588 20 0 DFADHM C/C(=C\CN1CCN(Cc2cccc3ccccc32)CC1)C(=O)[O-] ZINC000825747601 601048877 /nfs/dbraw/zinc/04/88/77/601048877.db2.gz VJCJWRGCSQDMCH-CXUHLZMHSA-N -1 3 324.424 2.988 20 0 DFADHM Cc1cnc([C@@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822389292 607486330 /nfs/dbraw/zinc/48/63/30/607486330.db2.gz REGZGJYBNCKFSM-SECBINFHSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1cnc([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822389292 607486331 /nfs/dbraw/zinc/48/63/31/607486331.db2.gz REGZGJYBNCKFSM-SECBINFHSA-N -1 3 318.381 2.622 20 0 DFADHM C/C(=C\CN1CCC[C@@H]1c1cccc2c1OCCO2)C(=O)[O-] ZINC000825741966 601162160 /nfs/dbraw/zinc/16/21/60/601162160.db2.gz UNKYATCAANKMEE-WEKMIXOTSA-N -1 3 303.358 2.626 20 0 DFADHM C/C(=C\CN[C@@](C)(CO)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000825746234 601168759 /nfs/dbraw/zinc/16/87/59/601168759.db2.gz GZRCJXFAAPHZDD-XYYIANASSA-N -1 3 317.307 2.533 20 0 DFADHM CC(C)Oc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cn1 ZINC000820173870 607491647 /nfs/dbraw/zinc/49/16/47/607491647.db2.gz MCVAFFJRTYXKFA-UHFFFAOYSA-N -1 3 316.390 2.723 20 0 DFADHM CC[C@H]1CN2CCCC[C@H]2CN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000829160161 601324695 /nfs/dbraw/zinc/32/46/95/601324695.db2.gz FBKXETSRMODEMZ-KBPBESRZSA-N -1 3 306.406 2.735 20 0 DFADHM O=C([O-])[C@H](NCCOCc1ccccc1)c1ccccc1F ZINC000833167131 601349658 /nfs/dbraw/zinc/34/96/58/601349658.db2.gz YGSBPVDQNZMHPB-MRXNPFEDSA-N -1 3 303.333 2.758 20 0 DFADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000832914395 601429190 /nfs/dbraw/zinc/42/91/90/601429190.db2.gz DJRNGXAAGNJKQZ-XQQFMLRXSA-N -1 3 304.390 2.608 20 0 DFADHM Cc1oc(-c2ccsc2)nc1CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000833024949 601505426 /nfs/dbraw/zinc/50/54/26/601505426.db2.gz YVTLAGDEUMKKND-CABZTGNLSA-N -1 3 306.387 2.864 20 0 DFADHM C[C@@H]1CN(Cc2ncc(-c3ccccc3F)o2)C[C@@H]1C(=O)[O-] ZINC000828461641 601521788 /nfs/dbraw/zinc/52/17/88/601521788.db2.gz BAZLVUVDNJRTLV-PWSUYJOCSA-N -1 3 304.321 2.633 20 0 DFADHM CN(C)C(=O)Sc1cccc(CN2CCC(C(=O)[O-])CC2)c1 ZINC000818373796 601527508 /nfs/dbraw/zinc/52/75/08/601527508.db2.gz ATUOQZPTPQYSOH-UHFFFAOYSA-N -1 3 322.430 2.757 20 0 DFADHM Cc1ccc(-c2cnc(CN3C[C@@H](C)[C@H](C(=O)[O-])C3)o2)cc1 ZINC000832907439 601531522 /nfs/dbraw/zinc/53/15/22/601531522.db2.gz WZFAZZOLDNWWCK-TZMCWYRMSA-N -1 3 300.358 2.803 20 0 DFADHM COC(=O)c1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(C)s1 ZINC000831249060 601637965 /nfs/dbraw/zinc/63/79/65/601637965.db2.gz UQNFJSQFVMTJLL-LBPRGKRZSA-N -1 3 323.414 2.530 20 0 DFADHM O=C([O-])c1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1F ZINC000833312372 601641313 /nfs/dbraw/zinc/64/13/13/601641313.db2.gz CCDQUKKDDZFBKZ-UHFFFAOYSA-N -1 3 303.337 2.627 20 0 DFADHM CC(C)OCCN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000827027740 601900244 /nfs/dbraw/zinc/90/02/44/601900244.db2.gz WIYYHQMBBVORAI-CYBMUJFWSA-N -1 3 305.296 2.586 20 0 DFADHM CSc1cccc(NC(=O)[C@@H](C)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000832786258 601936176 /nfs/dbraw/zinc/93/61/76/601936176.db2.gz ZLWUQZYNAHYMOI-BZNIZROVSA-N -1 3 322.430 2.532 20 0 DFADHM COc1ccc(COc2ccccc2F)cc1-c1nnn[n-]1 ZINC000826207386 607540378 /nfs/dbraw/zinc/54/03/78/607540378.db2.gz MJJDSDSVELHJIL-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1ccc(COc2ccccc2F)cc1-c1nn[n-]n1 ZINC000826207386 607540379 /nfs/dbraw/zinc/54/03/79/607540379.db2.gz MJJDSDSVELHJIL-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM CCOc1ccc(CN2CC[C@H](CNC(=O)[O-])C2)cc1OCC ZINC000739502660 602043883 /nfs/dbraw/zinc/04/38/83/602043883.db2.gz QBVLWDCYNDUMKD-CQSZACIVSA-N -1 3 322.405 2.574 20 0 DFADHM COc1ccc(COc2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000826206708 607542077 /nfs/dbraw/zinc/54/20/77/607542077.db2.gz IAUCXIWSUCJGQX-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(COc2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000826206708 607542079 /nfs/dbraw/zinc/54/20/79/607542079.db2.gz IAUCXIWSUCJGQX-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1c(C)cnc(CN2CCC[C@H](CN(C)C(=O)[O-])C2)c1C ZINC000739846594 602069713 /nfs/dbraw/zinc/06/97/13/602069713.db2.gz UPGYTIHGTYCBNZ-CQSZACIVSA-N -1 3 321.421 2.529 20 0 DFADHM O=C([O-])c1ccoc1CN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000833333395 602250706 /nfs/dbraw/zinc/25/07/06/602250706.db2.gz GFHBGWQZKIPJPC-AAEUAGOBSA-N -1 3 305.330 2.659 20 0 DFADHM COc1ccccc1OCCN1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000739981453 602262010 /nfs/dbraw/zinc/26/20/10/602262010.db2.gz JBGCBJZKETUKDV-UONOGXRCSA-N -1 3 322.405 2.585 20 0 DFADHM CCN(CCNCc1cc(Br)cs1)C(=O)[O-] ZINC000739433351 602311529 /nfs/dbraw/zinc/31/15/29/602311529.db2.gz CDPOMTVCBDSNRH-UHFFFAOYSA-N -1 3 307.213 2.600 20 0 DFADHM c1cc(-c2cccc(NCc3ccc(-c4nnn[n-]4)s3)c2)n[nH]1 ZINC000826517096 607564051 /nfs/dbraw/zinc/56/40/51/607564051.db2.gz PXYSDDYDKGLEGW-UHFFFAOYSA-N -1 3 323.385 2.930 20 0 DFADHM Cc1cc(C)cc(OCCN2CCC(N(C)C(=O)[O-])CC2)c1 ZINC000738219210 602532152 /nfs/dbraw/zinc/53/21/52/602532152.db2.gz YAPRLVIKIXKZHL-UHFFFAOYSA-N -1 3 306.406 2.756 20 0 DFADHM CN(C(=O)[O-])[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000739583706 602551880 /nfs/dbraw/zinc/55/18/80/602551880.db2.gz HFGNYDQYLHBFPR-CQSZACIVSA-N -1 3 315.373 2.515 20 0 DFADHM CCC(=CC(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1)CC ZINC000825029509 607613342 /nfs/dbraw/zinc/61/33/42/607613342.db2.gz UYMSGYJYABASHJ-UHFFFAOYSA-N -1 3 316.361 2.665 20 0 DFADHM CCC(=CC(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1)CC ZINC000825029509 607613344 /nfs/dbraw/zinc/61/33/44/607613344.db2.gz UYMSGYJYABASHJ-UHFFFAOYSA-N -1 3 316.361 2.665 20 0 DFADHM CN(C)Cc1ccccc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739615100 603238048 /nfs/dbraw/zinc/23/80/48/603238048.db2.gz MKPIAIGSQZYMCT-JSGCOSHPSA-N -1 3 319.405 2.513 20 0 DFADHM CCOc1ccc(CN(C2CC2)C2CCN(C(=O)[O-])CC2)nc1 ZINC000827427228 603491932 /nfs/dbraw/zinc/49/19/32/603491932.db2.gz GJNSBLNNGFRLMO-UHFFFAOYSA-N -1 3 319.405 2.587 20 0 DFADHM CN(Cc1cccc(Br)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828365909 603502181 /nfs/dbraw/zinc/50/21/81/603502181.db2.gz LSOUDNZAIPMAIA-LBPRGKRZSA-N -1 3 313.195 2.633 20 0 DFADHM CCN(CC1CCN(C[C@@H](O)c2cccc(F)c2)CC1)C(=O)[O-] ZINC000827092863 603510006 /nfs/dbraw/zinc/51/00/06/603510006.db2.gz JIPMNPQCMFFMLW-MRXNPFEDSA-N -1 3 324.396 2.571 20 0 DFADHM Cc1nc2ccccc2nc1CN(C)CC(C)(C)CNC(=O)[O-] ZINC000830792777 603548214 /nfs/dbraw/zinc/54/82/14/603548214.db2.gz ICMVQIGFTLRXIX-UHFFFAOYSA-N -1 3 316.405 2.664 20 0 DFADHM C[C@H](COCc1ccccc1)NCc1ccc(NC(=O)[O-])nc1 ZINC000825008249 603556841 /nfs/dbraw/zinc/55/68/41/603556841.db2.gz IABCJOSXUKWSLT-CYBMUJFWSA-N -1 3 315.373 2.866 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000826246662 607648506 /nfs/dbraw/zinc/64/85/06/607648506.db2.gz IPCIRKYXIDEGHD-JVLSTEMRSA-N -1 3 313.405 2.730 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000826246662 607648507 /nfs/dbraw/zinc/64/85/07/607648507.db2.gz IPCIRKYXIDEGHD-JVLSTEMRSA-N -1 3 313.405 2.730 20 0 DFADHM CCOc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825643027 607650967 /nfs/dbraw/zinc/65/09/67/607650967.db2.gz GABKPALYMSABNR-UHFFFAOYSA-N -1 3 324.340 2.793 20 0 DFADHM CCOc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825643027 607650969 /nfs/dbraw/zinc/65/09/69/607650969.db2.gz GABKPALYMSABNR-UHFFFAOYSA-N -1 3 324.340 2.793 20 0 DFADHM O=C(CSc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826420886 607655993 /nfs/dbraw/zinc/65/59/93/607655993.db2.gz HNGNIIPMNZPQIT-UHFFFAOYSA-N -1 3 314.345 2.981 20 0 DFADHM O=C(CSc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826420886 607655994 /nfs/dbraw/zinc/65/59/94/607655994.db2.gz HNGNIIPMNZPQIT-UHFFFAOYSA-N -1 3 314.345 2.981 20 0 DFADHM CCc1noc(C)c1CN(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000827663802 603905154 /nfs/dbraw/zinc/90/51/54/603905154.db2.gz REZNGRKRGFDECE-UHFFFAOYSA-N -1 3 307.394 2.652 20 0 DFADHM CCc1noc(C)c1CN[C@]1(CNC(=O)[O-])CCCC[C@@H]1C ZINC000827670148 603907034 /nfs/dbraw/zinc/90/70/34/603907034.db2.gz LUYDPDKCJIVADE-ZBEGNZNMSA-N -1 3 309.410 2.852 20 0 DFADHM CC1(C)C[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824790666 607821559 /nfs/dbraw/zinc/82/15/59/607821559.db2.gz OQUTWSIQZAJNBC-JTQLQIEISA-N -1 3 307.785 2.890 20 0 DFADHM CC1(C)C[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824790666 607821560 /nfs/dbraw/zinc/82/15/60/607821560.db2.gz OQUTWSIQZAJNBC-JTQLQIEISA-N -1 3 307.785 2.890 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)c1ccc(F)cc1 ZINC000826243783 607665948 /nfs/dbraw/zinc/66/59/48/607665948.db2.gz VSDMWEXKLJWGRA-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)c1ccc(F)cc1 ZINC000826243783 607665950 /nfs/dbraw/zinc/66/59/50/607665950.db2.gz VSDMWEXKLJWGRA-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1ncc(CNCCN(C(=O)[O-])C2CCCCCC2)cn1 ZINC000830808446 604068487 /nfs/dbraw/zinc/06/84/87/604068487.db2.gz BDHKHNBJDALXBL-UHFFFAOYSA-N -1 3 306.410 2.577 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000826243736 607669917 /nfs/dbraw/zinc/66/99/17/607669917.db2.gz TWMYIQRAHODSOH-GFCCVEGCSA-N -1 3 313.405 2.824 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000826243736 607669918 /nfs/dbraw/zinc/66/99/18/607669918.db2.gz TWMYIQRAHODSOH-GFCCVEGCSA-N -1 3 313.405 2.824 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000826243737 607669999 /nfs/dbraw/zinc/66/99/99/607669999.db2.gz TWMYIQRAHODSOH-LBPRGKRZSA-N -1 3 313.405 2.824 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000826243737 607670000 /nfs/dbraw/zinc/67/00/00/607670000.db2.gz TWMYIQRAHODSOH-LBPRGKRZSA-N -1 3 313.405 2.824 20 0 DFADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000830307859 604084101 /nfs/dbraw/zinc/08/41/01/604084101.db2.gz FYLBIPDMDATXSA-HNNXBMFYSA-N -1 3 319.405 2.528 20 0 DFADHM CC(C)CN(CCN(C)C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000824251607 604097256 /nfs/dbraw/zinc/09/72/56/604097256.db2.gz LOQAMYMWJMJUHD-UHFFFAOYSA-N -1 3 322.409 2.828 20 0 DFADHM COc1ccc(OC)c(CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000829494037 604190855 /nfs/dbraw/zinc/19/08/55/604190855.db2.gz HEHWLSJATDTHMC-QWHCGFSZSA-N -1 3 322.405 2.572 20 0 DFADHM Fc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826376492 607681803 /nfs/dbraw/zinc/68/18/03/607681803.db2.gz GHTQYNHOHBUUSU-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826376492 607681804 /nfs/dbraw/zinc/68/18/04/607681804.db2.gz GHTQYNHOHBUUSU-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM COc1ccc2c(c1)nccc2N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000832487096 604267513 /nfs/dbraw/zinc/26/75/13/604267513.db2.gz QGERTPHSIUUXCP-CQSZACIVSA-N -1 3 312.369 2.935 20 0 DFADHM O=C([O-])N1CC[C@@H](N[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000831947748 604318643 /nfs/dbraw/zinc/31/86/43/604318643.db2.gz LDVHBCCQUAFIDG-OCCSQVGLSA-N -1 3 302.374 2.775 20 0 DFADHM COc1ccc2c(c1)[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)CCCO2 ZINC000829516826 604327709 /nfs/dbraw/zinc/32/77/09/604327709.db2.gz VVBSJVLIBOAMAA-WFASDCNBSA-N -1 3 320.389 2.641 20 0 DFADHM CCOc1ccc2c(c1)[C@H](N[C@H]1CCCN(C(=O)[O-])C1)CCO2 ZINC000827445156 604327878 /nfs/dbraw/zinc/32/78/78/604327878.db2.gz VTZBGFSDJOACRA-SWLSCSKDSA-N -1 3 320.389 2.641 20 0 DFADHM Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830838945 604329418 /nfs/dbraw/zinc/32/94/18/604329418.db2.gz CAKLYSPVFPBYFK-WCQYABFASA-N -1 3 308.426 2.740 20 0 DFADHM C[C@H](CN(C)Cc1nc2cc(C(F)(F)F)ccc2o1)C(=O)[O-] ZINC000827443091 604332040 /nfs/dbraw/zinc/33/20/40/604332040.db2.gz ZBBXXVPFPUKDBS-MRVPVSSYSA-N -1 3 316.279 2.999 20 0 DFADHM C[C@@H](N[C@@H](CNC(=O)[O-])C1CC1)c1cnn(-c2ccccc2)c1 ZINC000825474189 604359695 /nfs/dbraw/zinc/35/96/95/604359695.db2.gz ZSRPBQOSUSRDLF-WBMJQRKESA-N -1 3 314.389 2.569 20 0 DFADHM CCC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000825255274 607702061 /nfs/dbraw/zinc/70/20/61/607702061.db2.gz WPLILATXTGYUEZ-ZDUSSCGKSA-N -1 3 313.405 2.827 20 0 DFADHM CCC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000825255274 607702062 /nfs/dbraw/zinc/70/20/62/607702062.db2.gz WPLILATXTGYUEZ-ZDUSSCGKSA-N -1 3 313.405 2.827 20 0 DFADHM CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833432885 604759071 /nfs/dbraw/zinc/75/90/71/604759071.db2.gz RXIFEBGVQZBDRA-GFCCVEGCSA-N -1 3 322.405 2.657 20 0 DFADHM COCc1ccc(CN[C@@H](CNC(=O)[O-])C2CCCCC2)o1 ZINC000829040341 604770965 /nfs/dbraw/zinc/77/09/65/604770965.db2.gz LGMVKRNIPBRZCT-HNNXBMFYSA-N -1 3 310.394 2.732 20 0 DFADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000833032854 604782403 /nfs/dbraw/zinc/78/24/03/604782403.db2.gz OHZLGDLNMGTUOQ-AWEZNQCLSA-N -1 3 318.398 2.803 20 0 DFADHM C/C(=C\CN1CC=C(c2ccc3c(c2)OCCO3)CC1)C(=O)[O-] ZINC000833383226 604850541 /nfs/dbraw/zinc/85/05/41/604850541.db2.gz MZERQFFDHCQRHN-YIXHJXPBSA-N -1 3 315.369 2.578 20 0 DFADHM CCn1cc([C@@H](C)NCc2ccc(CCNC(=O)[O-])cc2)cn1 ZINC000827700368 604942246 /nfs/dbraw/zinc/94/22/46/604942246.db2.gz LIPIQNZVEHOVNY-CYBMUJFWSA-N -1 3 316.405 2.564 20 0 DFADHM CCn1cc([C@H](C)NCc2ccc(CCNC(=O)[O-])cc2)cn1 ZINC000827700369 604942271 /nfs/dbraw/zinc/94/22/71/604942271.db2.gz LIPIQNZVEHOVNY-ZDUSSCGKSA-N -1 3 316.405 2.564 20 0 DFADHM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000833775837 604945998 /nfs/dbraw/zinc/94/59/98/604945998.db2.gz SCJAMYLNZKQHCY-INIZCTEOSA-N -1 3 316.401 2.659 20 0 DFADHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1OC ZINC000832226586 604993122 /nfs/dbraw/zinc/99/31/22/604993122.db2.gz PONKYUSVDQXCRI-BDJLRTHQSA-N -1 3 316.357 2.575 20 0 DFADHM CCOc1cccc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000830099923 604997843 /nfs/dbraw/zinc/99/78/43/604997843.db2.gz SEDXJPJUCHBDJV-LRDDRELGSA-N -1 3 300.358 2.957 20 0 DFADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(-n2cccn2)cc1 ZINC000827717032 605005479 /nfs/dbraw/zinc/00/54/79/605005479.db2.gz DENNWSOZWDMXLA-CXAGYDPISA-N -1 3 322.368 2.744 20 0 DFADHM CO[C@@H](CN[C@H](C(=O)[O-])c1cccnc1)c1ccccc1Cl ZINC000831518805 605008114 /nfs/dbraw/zinc/00/81/14/605008114.db2.gz FNFAYMAKRZKMJO-GJZGRUSLSA-N -1 3 320.776 2.838 20 0 DFADHM Fc1cccnc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826378484 607730411 /nfs/dbraw/zinc/73/04/11/607730411.db2.gz MGXQXYCDCRJGIA-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1cccnc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826378484 607730413 /nfs/dbraw/zinc/73/04/13/607730413.db2.gz 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O=C([O-])NC[C@@H]1CCC[C@@H]1NCc1nc(C(F)(F)F)cs1 ZINC000834215913 605618939 /nfs/dbraw/zinc/61/89/39/605618939.db2.gz QWBUGKVBFBYQLM-YUMQZZPRSA-N -1 3 323.340 2.688 20 0 DFADHM O=C([O-])N1CC[C@H](N(Cc2cnc3ccccc3c2)C2CC2)C1 ZINC000834083905 605620292 /nfs/dbraw/zinc/62/02/92/605620292.db2.gz LLSKYBJXNQXVNH-INIZCTEOSA-N -1 3 311.385 2.952 20 0 DFADHM C[C@H]1C[C@@H](CNC(=O)[O-])CN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000833834396 605684970 /nfs/dbraw/zinc/68/49/70/605684970.db2.gz OAWODDMYLWZYPR-STQMWFEESA-N -1 3 314.389 2.555 20 0 DFADHM O=C([O-])N1CC[C@@H](N(C[C@@H](O)c2cccc(Cl)c2)C2CC2)C1 ZINC000834082081 605776223 /nfs/dbraw/zinc/77/62/23/605776223.db2.gz IFXDRSBZHMBCKE-HUUCEWRRSA-N -1 3 324.808 2.590 20 0 DFADHM Cc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822233185 606035343 /nfs/dbraw/zinc/03/53/43/606035343.db2.gz JPJWNJDMRSAPTC-MRXNPFEDSA-N -1 3 306.373 2.912 20 0 DFADHM Cc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822233185 606035346 /nfs/dbraw/zinc/03/53/46/606035346.db2.gz 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/nfs/dbraw/zinc/04/51/21/606045121.db2.gz PRJLXGRYDPYGEC-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM CN(Cc1nccs1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821618086 606045126 /nfs/dbraw/zinc/04/51/26/606045126.db2.gz PRJLXGRYDPYGEC-UHFFFAOYSA-N -1 3 323.385 2.508 20 0 DFADHM Fc1ccc(C2(CNc3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000822767135 606048796 /nfs/dbraw/zinc/04/87/96/606048796.db2.gz XVAQEJIUESMJNX-UHFFFAOYSA-N -1 3 310.336 2.545 20 0 DFADHM Fc1ccc(C2(CNc3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000822767135 606048799 /nfs/dbraw/zinc/04/87/99/606048799.db2.gz XVAQEJIUESMJNX-UHFFFAOYSA-N -1 3 310.336 2.545 20 0 DFADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)COCc1ccccc1 ZINC000820274113 606053639 /nfs/dbraw/zinc/05/36/39/606053639.db2.gz DMQDVJCDWIFZFF-CYBMUJFWSA-N -1 3 324.388 2.527 20 0 DFADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)COCc1ccccc1 ZINC000820274113 606053643 /nfs/dbraw/zinc/05/36/43/606053643.db2.gz DMQDVJCDWIFZFF-CYBMUJFWSA-N -1 3 324.388 2.527 20 0 DFADHM CC(C)(CNc1ccc(-c2nnn[n-]2)nc1)Cc1ccccc1 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C[C@H]1c2ccccc2CN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820825885 606104338 /nfs/dbraw/zinc/10/43/38/606104338.db2.gz GPUYMWCJJJGABJ-NSHDSACASA-N -1 3 305.341 2.584 20 0 DFADHM C[C@H]1c2ccccc2CN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820825885 606104339 /nfs/dbraw/zinc/10/43/39/606104339.db2.gz GPUYMWCJJJGABJ-NSHDSACASA-N -1 3 305.341 2.584 20 0 DFADHM CCS[C@H]1CCCC[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000821457059 606105497 /nfs/dbraw/zinc/10/54/97/606105497.db2.gz UKQNFEPCRJTNGT-RYUDHWBXSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@H]1CCCC[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000821457059 606105498 /nfs/dbraw/zinc/10/54/98/606105498.db2.gz UKQNFEPCRJTNGT-RYUDHWBXSA-N -1 3 304.423 2.738 20 0 DFADHM CCC1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CC1 ZINC000820944081 606121458 /nfs/dbraw/zinc/12/14/58/606121458.db2.gz HTLHNTOGHOKHIP-UHFFFAOYSA-N -1 3 317.418 2.936 20 0 DFADHM CCC1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CC1 ZINC000820944081 606121461 /nfs/dbraw/zinc/12/14/61/606121461.db2.gz HTLHNTOGHOKHIP-UHFFFAOYSA-N -1 3 317.418 2.936 20 0 DFADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCC1CCCC1 ZINC000823107672 606144742 /nfs/dbraw/zinc/14/47/42/606144742.db2.gz FAJLQSWRIKKKDR-UHFFFAOYSA-N -1 3 300.362 2.533 20 0 DFADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCC1CCCC1 ZINC000823107672 606144744 /nfs/dbraw/zinc/14/47/44/606144744.db2.gz FAJLQSWRIKKKDR-UHFFFAOYSA-N -1 3 300.362 2.533 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CC12CCCC2 ZINC000823331245 606148738 /nfs/dbraw/zinc/14/87/38/606148738.db2.gz DDOIHAZXVQQJJV-NSHDSACASA-N -1 3 301.325 2.525 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CC12CCCC2 ZINC000823331245 606148740 /nfs/dbraw/zinc/14/87/40/606148740.db2.gz DDOIHAZXVQQJJV-NSHDSACASA-N -1 3 301.325 2.525 20 0 DFADHM C[C@@H](c1cccs1)[S@@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820571467 606155660 /nfs/dbraw/zinc/15/56/60/606155660.db2.gz YZNOFVXPMIUKEK-CWKPULSASA-N -1 3 318.427 2.938 20 0 DFADHM C[C@@H](c1cccs1)[S@@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820571467 606155661 /nfs/dbraw/zinc/15/56/61/606155661.db2.gz 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ZINC000821077735 606207117 /nfs/dbraw/zinc/20/71/17/606207117.db2.gz RJAMBYDKFWENLD-UHFFFAOYSA-N -1 3 324.388 2.800 20 0 DFADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc2ccccc21 ZINC000822654983 606208100 /nfs/dbraw/zinc/20/81/00/606208100.db2.gz AZYQHKAHBGJGNJ-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc2ccccc21 ZINC000822654983 606208101 /nfs/dbraw/zinc/20/81/01/606208101.db2.gz AZYQHKAHBGJGNJ-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM CCOc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821422310 606208327 /nfs/dbraw/zinc/20/83/27/606208327.db2.gz SYFCNBCYZUIXFJ-UHFFFAOYSA-N -1 3 301.375 2.939 20 0 DFADHM CCOc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821422310 606208328 /nfs/dbraw/zinc/20/83/28/606208328.db2.gz SYFCNBCYZUIXFJ-UHFFFAOYSA-N -1 3 301.375 2.939 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823303902 606209656 /nfs/dbraw/zinc/20/96/56/606209656.db2.gz XXVZKHNBDHZBSM-WDEREUQCSA-N -1 3 303.753 2.505 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823303902 606209657 /nfs/dbraw/zinc/20/96/57/606209657.db2.gz XXVZKHNBDHZBSM-WDEREUQCSA-N -1 3 303.753 2.505 20 0 DFADHM Cc1csc([C@@H](C)NCc2cc(-c3nnn[n-]3)cs2)n1 ZINC000822408959 606216122 /nfs/dbraw/zinc/21/61/22/606216122.db2.gz KECNOUFEDPWLJW-MRVPVSSYSA-N -1 3 306.420 2.544 20 0 DFADHM Cc1csc([C@@H](C)NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC000822408959 606216124 /nfs/dbraw/zinc/21/61/24/606216124.db2.gz KECNOUFEDPWLJW-MRVPVSSYSA-N -1 3 306.420 2.544 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823332746 606217317 /nfs/dbraw/zinc/21/73/17/606217317.db2.gz QOCSNAPJHXSDOR-NXEZZACHSA-N -1 3 303.753 2.505 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823332746 606217319 /nfs/dbraw/zinc/21/73/19/606217319.db2.gz QOCSNAPJHXSDOR-NXEZZACHSA-N -1 3 303.753 2.505 20 0 DFADHM CCCCCCOCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821056517 606269780 /nfs/dbraw/zinc/26/97/80/606269780.db2.gz 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606327641 /nfs/dbraw/zinc/32/76/41/606327641.db2.gz VYPGMDWTFUKIMW-SECBINFHSA-N -1 3 321.406 2.719 20 0 DFADHM CCC[C@@H](C)Sc1nc(C(=O)OCC)ccc1-c1nn[n-]n1 ZINC000821016402 606327642 /nfs/dbraw/zinc/32/76/42/606327642.db2.gz VYPGMDWTFUKIMW-SECBINFHSA-N -1 3 321.406 2.719 20 0 DFADHM C[C@@H](OC(=O)C[C@H](C)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820489036 606342397 /nfs/dbraw/zinc/34/23/97/606342397.db2.gz YJPHKENWLPUKNE-WDEREUQCSA-N -1 3 300.362 2.907 20 0 DFADHM C[C@@H](OC(=O)C[C@H](C)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820489036 606342399 /nfs/dbraw/zinc/34/23/99/606342399.db2.gz YJPHKENWLPUKNE-WDEREUQCSA-N -1 3 300.362 2.907 20 0 DFADHM CCS[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000821455599 606401080 /nfs/dbraw/zinc/40/10/80/606401080.db2.gz KSKJWNVPUUFUQD-VXGBXAGGSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000821455599 606401081 /nfs/dbraw/zinc/40/10/81/606401081.db2.gz KSKJWNVPUUFUQD-VXGBXAGGSA-N -1 3 304.423 2.738 20 0 DFADHM c1ccc2c(c1)nc(N[C@H]1CCCSC1)cc2-c1nnn[n-]1 ZINC000823792550 606401975 /nfs/dbraw/zinc/40/19/75/606401975.db2.gz XMCDHBKVAFVIMT-JTQLQIEISA-N -1 3 312.402 2.722 20 0 DFADHM c1ccc2c(c1)nc(N[C@H]1CCCSC1)cc2-c1nn[n-]n1 ZINC000823792550 606401976 /nfs/dbraw/zinc/40/19/76/606401976.db2.gz XMCDHBKVAFVIMT-JTQLQIEISA-N -1 3 312.402 2.722 20 0 DFADHM C[C@@H]1[C@@H](C)CCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820727155 606423507 /nfs/dbraw/zinc/42/35/07/606423507.db2.gz HWOMPAJIRYBESB-JGVFFNPUSA-N -1 3 312.299 2.515 20 0 DFADHM C[C@@H]1[C@@H](C)CCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820727155 606423509 /nfs/dbraw/zinc/42/35/09/606423509.db2.gz HWOMPAJIRYBESB-JGVFFNPUSA-N -1 3 312.299 2.515 20 0 DFADHM CC(C)[C@@H]1OCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000820045595 606426851 /nfs/dbraw/zinc/42/68/51/606426851.db2.gz ODZKWHLUROTGOX-ZFWWWQNUSA-N -1 3 301.394 2.730 20 0 DFADHM CC[C@H](CNc1ncccc1-c1nnn[n-]1)Oc1cccc(C)c1 ZINC000820909566 606427595 /nfs/dbraw/zinc/42/75/95/606427595.db2.gz 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CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820038071 606507205 /nfs/dbraw/zinc/50/72/05/606507205.db2.gz JZSGBMSLPRZISE-NWDGAFQWSA-N -1 3 319.434 2.873 20 0 DFADHM CCC(CC)N(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820893143 606509928 /nfs/dbraw/zinc/50/99/28/606509928.db2.gz KQXDKZNLSLOOCX-UHFFFAOYSA-N -1 3 313.405 2.589 20 0 DFADHM CCC(CC)N(C(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820893143 606509930 /nfs/dbraw/zinc/50/99/30/606509930.db2.gz KQXDKZNLSLOOCX-UHFFFAOYSA-N -1 3 313.405 2.589 20 0 DFADHM C[C@@H]1CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000820732840 606511013 /nfs/dbraw/zinc/51/10/13/606511013.db2.gz AIPWWUMTCQWFAE-GFCCVEGCSA-N -1 3 319.368 2.560 20 0 DFADHM C[C@@H]1CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000820732840 606511014 /nfs/dbraw/zinc/51/10/14/606511014.db2.gz AIPWWUMTCQWFAE-GFCCVEGCSA-N -1 3 319.368 2.560 20 0 DFADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820698665 606512769 /nfs/dbraw/zinc/51/27/69/606512769.db2.gz 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606570291 /nfs/dbraw/zinc/57/02/91/606570291.db2.gz DJQWPQZHVYIPTC-UFBFGSQYSA-N -1 3 320.784 2.830 20 0 DFADHM CCC[C@H]1C[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821033684 606570292 /nfs/dbraw/zinc/57/02/92/606570292.db2.gz DJQWPQZHVYIPTC-UFBFGSQYSA-N -1 3 320.784 2.830 20 0 DFADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820462002 606592033 /nfs/dbraw/zinc/59/20/33/606592033.db2.gz UERZRQBWQCMTPF-ZETOZRRWSA-N -1 3 322.372 2.627 20 0 DFADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820462002 606592035 /nfs/dbraw/zinc/59/20/35/606592035.db2.gz UERZRQBWQCMTPF-ZETOZRRWSA-N -1 3 322.372 2.627 20 0 DFADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC000821994634 606594257 /nfs/dbraw/zinc/59/42/57/606594257.db2.gz AZHLJSAUMVRLGC-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC000821994634 606594259 /nfs/dbraw/zinc/59/42/59/606594259.db2.gz AZHLJSAUMVRLGC-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM Fc1cccc(N2CCS[C@@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000822791367 606594333 /nfs/dbraw/zinc/59/43/33/606594333.db2.gz HXAPKNHCVPEWBX-DGCLKSJQSA-N -1 3 319.409 2.870 20 0 DFADHM Fc1cccc(N2CCS[C@@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000822791367 606594334 /nfs/dbraw/zinc/59/43/34/606594334.db2.gz HXAPKNHCVPEWBX-DGCLKSJQSA-N -1 3 319.409 2.870 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820676013 606618906 /nfs/dbraw/zinc/61/89/06/606618906.db2.gz LIGDGDYBNKSSCA-HLVNSREUSA-N -1 3 311.389 2.572 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820676013 606618907 /nfs/dbraw/zinc/61/89/07/606618907.db2.gz LIGDGDYBNKSSCA-HLVNSREUSA-N -1 3 311.389 2.572 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820676012 606619077 /nfs/dbraw/zinc/61/90/77/606619077.db2.gz LIGDGDYBNKSSCA-GVIGZQTCSA-N -1 3 311.389 2.572 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820676012 606619080 /nfs/dbraw/zinc/61/90/80/606619080.db2.gz LIGDGDYBNKSSCA-GVIGZQTCSA-N -1 3 311.389 2.572 20 0 DFADHM C[C@@H]1CCC(=CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820674006 606619996 /nfs/dbraw/zinc/61/99/96/606619996.db2.gz AMFLZIYGKOLSIV-YIXGCBLDSA-N -1 3 301.325 2.691 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820674006 606619997 /nfs/dbraw/zinc/61/99/97/606619997.db2.gz AMFLZIYGKOLSIV-YIXGCBLDSA-N -1 3 301.325 2.691 20 0 DFADHM CCc1c(C)sc(NC(=O)C2CC(C)C2)c1-c1nnn[n-]1 ZINC000821465991 606622460 /nfs/dbraw/zinc/62/24/60/606622460.db2.gz TVNVJYVNMQBKCH-UHFFFAOYSA-N -1 3 305.407 2.784 20 0 DFADHM CCc1c(C)sc(NC(=O)C2CC(C)C2)c1-c1nn[n-]n1 ZINC000821465991 606622461 /nfs/dbraw/zinc/62/24/61/606622461.db2.gz TVNVJYVNMQBKCH-UHFFFAOYSA-N -1 3 305.407 2.784 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820674475 606635760 /nfs/dbraw/zinc/63/57/60/606635760.db2.gz DCTAQELTHLDFPY-UEUZTHOGSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820674475 606635761 /nfs/dbraw/zinc/63/57/61/606635761.db2.gz DCTAQELTHLDFPY-UEUZTHOGSA-N -1 3 316.336 2.795 20 0 DFADHM Cc1nc(Cl)sc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822449683 606645921 /nfs/dbraw/zinc/64/59/21/606645921.db2.gz JZSWJXYYRHPIEO-UHFFFAOYSA-N -1 3 321.749 2.504 20 0 DFADHM Cc1nc(Cl)sc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822449683 606645922 /nfs/dbraw/zinc/64/59/22/606645922.db2.gz JZSWJXYYRHPIEO-UHFFFAOYSA-N -1 3 321.749 2.504 20 0 DFADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1csc(C)n1 ZINC000821411906 606656524 /nfs/dbraw/zinc/65/65/24/606656524.db2.gz DFCOTIQKUWEQNY-UHFFFAOYSA-N -1 3 316.390 2.642 20 0 DFADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1csc(C)n1 ZINC000821411906 606656525 /nfs/dbraw/zinc/65/65/25/606656525.db2.gz DFCOTIQKUWEQNY-UHFFFAOYSA-N -1 3 316.390 2.642 20 0 DFADHM Cc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822248993 606661601 /nfs/dbraw/zinc/66/16/01/606661601.db2.gz XFJZCHWNYCKQKN-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822248993 606661602 /nfs/dbraw/zinc/66/16/02/606661602.db2.gz XFJZCHWNYCKQKN-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000755087560 606661912 /nfs/dbraw/zinc/66/19/12/606661912.db2.gz WRSQUWDJMIBNJT-HOCLYGCPSA-N -1 3 319.368 2.684 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000755087560 606661913 /nfs/dbraw/zinc/66/19/13/606661913.db2.gz WRSQUWDJMIBNJT-HOCLYGCPSA-N -1 3 319.368 2.684 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823445530 606663290 /nfs/dbraw/zinc/66/32/90/606663290.db2.gz ZRHLZAWGTWULNO-HOCLYGCPSA-N -1 3 320.352 2.651 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823445530 606663291 /nfs/dbraw/zinc/66/32/91/606663291.db2.gz ZRHLZAWGTWULNO-HOCLYGCPSA-N -1 3 320.352 2.651 20 0 DFADHM CC(C)CC[C@@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820072504 606663507 /nfs/dbraw/zinc/66/35/07/606663507.db2.gz IBEYTWXXPKAOBD-SECBINFHSA-N -1 3 323.347 2.699 20 0 DFADHM CC(C)CC[C@@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820072504 606663508 /nfs/dbraw/zinc/66/35/08/606663508.db2.gz IBEYTWXXPKAOBD-SECBINFHSA-N -1 3 323.347 2.699 20 0 DFADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@H](C)C(C)C ZINC000821154138 606675112 /nfs/dbraw/zinc/67/51/12/606675112.db2.gz KEQMFARWMIANHG-SECBINFHSA-N -1 3 323.347 2.652 20 0 DFADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H](C)C(C)C ZINC000821154138 606675113 /nfs/dbraw/zinc/67/51/13/606675113.db2.gz KEQMFARWMIANHG-SECBINFHSA-N -1 3 323.347 2.652 20 0 DFADHM COc1ncccc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821920206 606785623 /nfs/dbraw/zinc/78/56/23/606785623.db2.gz NNNHLZRUGUIZRY-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COc1ncccc1COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821920206 606785626 /nfs/dbraw/zinc/78/56/26/606785626.db2.gz NNNHLZRUGUIZRY-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820972469 606815138 /nfs/dbraw/zinc/81/51/38/606815138.db2.gz ODJMEAIOKAAIOL-KOIVLQPBSA-N -1 3 311.389 2.575 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820972469 606815140 /nfs/dbraw/zinc/81/51/40/606815140.db2.gz ODJMEAIOKAAIOL-KOIVLQPBSA-N -1 3 311.389 2.575 20 0 DFADHM CCCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000821044236 606816568 /nfs/dbraw/zinc/81/65/68/606816568.db2.gz YAPQKLSETPZZFY-HNNXBMFYSA-N -1 3 313.405 2.955 20 0 DFADHM CCCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000821044236 606816570 /nfs/dbraw/zinc/81/65/70/606816570.db2.gz YAPQKLSETPZZFY-HNNXBMFYSA-N -1 3 313.405 2.955 20 0 DFADHM C[C@@H]1CCC[C@H](CCOC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820698984 606825802 /nfs/dbraw/zinc/82/58/02/606825802.db2.gz XEBMAWWSVRRJDL-VXGBXAGGSA-N -1 3 315.377 2.635 20 0 DFADHM C[C@@H]1CCC[C@H](CCOC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820698984 606825803 /nfs/dbraw/zinc/82/58/03/606825803.db2.gz XEBMAWWSVRRJDL-VXGBXAGGSA-N -1 3 315.377 2.635 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(F)=C1CCCC1 ZINC000821608702 606835016 /nfs/dbraw/zinc/83/50/16/606835016.db2.gz QXLWKMYTLVNGKK-UHFFFAOYSA-N -1 3 315.352 2.623 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(F)=C1CCCC1 ZINC000821608702 606835017 /nfs/dbraw/zinc/83/50/17/606835017.db2.gz QXLWKMYTLVNGKK-UHFFFAOYSA-N -1 3 315.352 2.623 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(F)=C1CCCC1 ZINC000822216736 606835307 /nfs/dbraw/zinc/83/53/07/606835307.db2.gz YDTCRFPLWIZKRZ-UHFFFAOYSA-N -1 3 301.325 2.911 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(F)=C1CCCC1 ZINC000822216736 606835309 /nfs/dbraw/zinc/83/53/09/606835309.db2.gz YDTCRFPLWIZKRZ-UHFFFAOYSA-N -1 3 301.325 2.911 20 0 DFADHM COCC[C@H](C)SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821685887 606841228 /nfs/dbraw/zinc/84/12/28/606841228.db2.gz UEBLWVZBZQJPRI-LBPRGKRZSA-N -1 3 322.434 2.794 20 0 DFADHM COCC[C@H](C)SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821685887 606841229 /nfs/dbraw/zinc/84/12/29/606841229.db2.gz UEBLWVZBZQJPRI-LBPRGKRZSA-N -1 3 322.434 2.794 20 0 DFADHM CCc1noc(C)c1CNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821553400 606860124 /nfs/dbraw/zinc/86/01/24/606860124.db2.gz GHQRUXBVZNZMDH-UHFFFAOYSA-N -1 3 318.768 2.991 20 0 DFADHM CCc1noc(C)c1CNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821553400 606860125 /nfs/dbraw/zinc/86/01/25/606860125.db2.gz GHQRUXBVZNZMDH-UHFFFAOYSA-N -1 3 318.768 2.991 20 0 DFADHM c1cn(C2CCCC2)nc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000823757674 606863256 /nfs/dbraw/zinc/86/32/56/606863256.db2.gz SUDAFLDROYYKKT-UHFFFAOYSA-N -1 3 309.377 2.790 20 0 DFADHM c1cn(C2CCCC2)nc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000823757674 606863257 /nfs/dbraw/zinc/86/32/57/606863257.db2.gz SUDAFLDROYYKKT-UHFFFAOYSA-N -1 3 309.377 2.790 20 0 DFADHM CC1(CNC(=O)c2cc(-c3nnn[n-]3)cs2)CCCCC1 ZINC000820619160 606870724 /nfs/dbraw/zinc/87/07/24/606870724.db2.gz XXZGLFFXUXDFBT-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM CC1(CNC(=O)c2cc(-c3nn[n-]n3)cs2)CCCCC1 ZINC000820619160 606870725 /nfs/dbraw/zinc/87/07/25/606870725.db2.gz XXZGLFFXUXDFBT-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM c1cc(-c2nnn[n-]2)ccc1Sc1ncnc2c1CCCC2 ZINC000823821390 606874294 /nfs/dbraw/zinc/87/42/94/606874294.db2.gz TYTYNLYECGWWNY-UHFFFAOYSA-N -1 3 310.386 2.687 20 0 DFADHM c1cc(-c2nn[n-]n2)ccc1Sc1ncnc2c1CCCC2 ZINC000823821390 606874297 /nfs/dbraw/zinc/87/42/97/606874297.db2.gz TYTYNLYECGWWNY-UHFFFAOYSA-N -1 3 310.386 2.687 20 0 DFADHM CCC[C@@H]1CCCN(c2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000821039695 606875368 /nfs/dbraw/zinc/87/53/68/606875368.db2.gz GKUZALJFKOCKHO-CYBMUJFWSA-N -1 3 300.410 2.895 20 0 DFADHM CCC[C@@H]1CCCN(c2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000821039695 606875369 /nfs/dbraw/zinc/87/53/69/606875369.db2.gz GKUZALJFKOCKHO-CYBMUJFWSA-N -1 3 300.410 2.895 20 0 DFADHM Cc1nnc(N2CC(C)(C)c3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822510689 606877937 /nfs/dbraw/zinc/87/79/37/606877937.db2.gz USGTTZCSGBQOJS-UHFFFAOYSA-N -1 3 321.388 2.703 20 0 DFADHM Cc1nnc(N2CC(C)(C)c3ccccc32)c(-c2nn[n-]n2)c1C ZINC000822510689 606877939 /nfs/dbraw/zinc/87/79/39/606877939.db2.gz USGTTZCSGBQOJS-UHFFFAOYSA-N -1 3 321.388 2.703 20 0 DFADHM CC(C)C1CCC(NC(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000820038074 606937989 /nfs/dbraw/zinc/93/79/89/606937989.db2.gz KECNMFPNYPIIFC-UHFFFAOYSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)C1CCC(NC(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000820038074 606937991 /nfs/dbraw/zinc/93/79/91/606937991.db2.gz KECNMFPNYPIIFC-UHFFFAOYSA-N -1 3 319.434 2.873 20 0 DFADHM CCc1nnc(S[C@H](C)C(C)C)c(-c2nnn[n-]2)c1CC ZINC000821548002 606940426 /nfs/dbraw/zinc/94/04/26/606940426.db2.gz FWGVLYMVXKUYNE-SECBINFHSA-N -1 3 306.439 2.918 20 0 DFADHM CCc1nnc(S[C@H](C)C(C)C)c(-c2nn[n-]n2)c1CC ZINC000821548002 606940428 /nfs/dbraw/zinc/94/04/28/606940428.db2.gz FWGVLYMVXKUYNE-SECBINFHSA-N -1 3 306.439 2.918 20 0 DFADHM FC(F)(F)c1ccc(N[C@H]2CCSC2)c(-c2nnn[n-]2)c1 ZINC000822723886 606940986 /nfs/dbraw/zinc/94/09/86/606940986.db2.gz RVMYWMYZCWACLE-QMMMGPOBSA-N -1 3 315.324 2.803 20 0 DFADHM FC(F)(F)c1ccc(N[C@H]2CCSC2)c(-c2nn[n-]n2)c1 ZINC000822723886 606940988 /nfs/dbraw/zinc/94/09/88/606940988.db2.gz RVMYWMYZCWACLE-QMMMGPOBSA-N -1 3 315.324 2.803 20 0 DFADHM Cc1nc2[nH]ccc2c(Sc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822459160 606944859 /nfs/dbraw/zinc/94/48/59/606944859.db2.gz NRKHGAJPFJHFTF-UHFFFAOYSA-N -1 3 309.358 2.598 20 0 DFADHM Cc1nc2[nH]ccc2c(Sc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822459160 606944860 /nfs/dbraw/zinc/94/48/60/606944860.db2.gz NRKHGAJPFJHFTF-UHFFFAOYSA-N -1 3 309.358 2.598 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC3(CCC3)C2)n1 ZINC000822723475 606948106 /nfs/dbraw/zinc/94/81/06/606948106.db2.gz GEDOGFDAQWDPNU-UHFFFAOYSA-N -1 3 324.310 2.661 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC3(CCC3)C2)n1 ZINC000822723475 606948107 /nfs/dbraw/zinc/94/81/07/606948107.db2.gz GEDOGFDAQWDPNU-UHFFFAOYSA-N -1 3 324.310 2.661 20 0 DFADHM Cc1cccc2c1CCN2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822341112 606966585 /nfs/dbraw/zinc/96/65/85/606966585.db2.gz VGUZQHQHTSKJKW-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1cccc2c1CCN2Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822341112 606966586 /nfs/dbraw/zinc/96/65/86/606966586.db2.gz VGUZQHQHTSKJKW-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM CC(=O)c1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000819834588 607005161 /nfs/dbraw/zinc/00/51/61/607005161.db2.gz ONABWOJTXZGQJR-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000819834588 607005163 /nfs/dbraw/zinc/00/51/63/607005163.db2.gz ONABWOJTXZGQJR-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CCCCCNC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821055516 607009708 /nfs/dbraw/zinc/00/97/08/607009708.db2.gz BQXSULWWUTYQNM-NSHDSACASA-N -1 3 319.434 2.654 20 0 DFADHM CCCCCNC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821055516 607009709 /nfs/dbraw/zinc/00/97/09/607009709.db2.gz BQXSULWWUTYQNM-NSHDSACASA-N -1 3 319.434 2.654 20 0 DFADHM CC(C)n1ccnc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000820215625 607012908 /nfs/dbraw/zinc/01/29/08/607012908.db2.gz XWRBEAYLGPQRNH-UHFFFAOYSA-N -1 3 300.391 2.936 20 0 DFADHM CC(C)n1ccnc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000820215625 607012910 /nfs/dbraw/zinc/01/29/10/607012910.db2.gz XWRBEAYLGPQRNH-UHFFFAOYSA-N -1 3 300.391 2.936 20 0 DFADHM CCc1nnc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821516779 607034282 /nfs/dbraw/zinc/03/42/82/607034282.db2.gz BYMGBCSSJPFFBD-VIFPVBQESA-N -1 3 316.390 2.807 20 0 DFADHM CCc1nnc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821516779 607034284 /nfs/dbraw/zinc/03/42/84/607034284.db2.gz BYMGBCSSJPFFBD-VIFPVBQESA-N -1 3 316.390 2.807 20 0 DFADHM Cc1nnc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822510127 607035079 /nfs/dbraw/zinc/03/50/79/607035079.db2.gz JWJMHDGQFCNJPA-QMMMGPOBSA-N -1 3 302.363 2.553 20 0 DFADHM Cc1nnc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822510127 607035081 /nfs/dbraw/zinc/03/50/81/607035081.db2.gz JWJMHDGQFCNJPA-QMMMGPOBSA-N -1 3 302.363 2.553 20 0 DFADHM Cc1cccc(C)c1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000822293567 607038367 /nfs/dbraw/zinc/03/83/67/607038367.db2.gz CKMNWSYLHDLRCF-UHFFFAOYSA-N -1 3 320.400 2.979 20 0 DFADHM Cc1cccc(C)c1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000822293567 607038368 /nfs/dbraw/zinc/03/83/68/607038368.db2.gz CKMNWSYLHDLRCF-UHFFFAOYSA-N -1 3 320.400 2.979 20 0 DFADHM Cc1cccc(C)c1CNc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000822293759 607038760 /nfs/dbraw/zinc/03/87/60/607038760.db2.gz KMIWZFKJJSXLGN-UHFFFAOYSA-N -1 3 309.377 2.502 20 0 DFADHM Cc1cccc(C)c1CNc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000822293759 607038762 /nfs/dbraw/zinc/03/87/62/607038762.db2.gz KMIWZFKJJSXLGN-UHFFFAOYSA-N -1 3 309.377 2.502 20 0 DFADHM CC(C)(C)OC1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000819946754 607043852 /nfs/dbraw/zinc/04/38/52/607043852.db2.gz PDEPQEWCECHFEY-UHFFFAOYSA-N -1 3 319.384 2.790 20 0 DFADHM C[C@@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820683598 607045052 /nfs/dbraw/zinc/04/50/52/607045052.db2.gz DGDPVXHCOZEBIO-UPJWGTAASA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820683598 607045053 /nfs/dbraw/zinc/04/50/53/607045053.db2.gz DGDPVXHCOZEBIO-UPJWGTAASA-N -1 3 313.405 2.870 20 0 DFADHM CC(C)C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820067253 607052235 /nfs/dbraw/zinc/05/22/35/607052235.db2.gz HLPDNBFEPHELGR-NSHDSACASA-N -1 3 319.434 2.827 20 0 DFADHM CC(C)C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820067253 607052236 /nfs/dbraw/zinc/05/22/36/607052236.db2.gz HLPDNBFEPHELGR-NSHDSACASA-N -1 3 319.434 2.827 20 0 DFADHM Cc1ccsc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822379619 607074410 /nfs/dbraw/zinc/07/44/10/607074410.db2.gz RIDVRDUCXJIPNH-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1ccsc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822379619 607074412 /nfs/dbraw/zinc/07/44/12/607074412.db2.gz RIDVRDUCXJIPNH-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM CCC[C@H](C)CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821015325 607080173 /nfs/dbraw/zinc/08/01/73/607080173.db2.gz PCPIDQPONZLMFW-JTQLQIEISA-N -1 3 306.341 2.875 20 0 DFADHM CCC[C@H](C)CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821015325 607080174 /nfs/dbraw/zinc/08/01/74/607080174.db2.gz PCPIDQPONZLMFW-JTQLQIEISA-N -1 3 306.341 2.875 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820683533 607090411 /nfs/dbraw/zinc/09/04/11/607090411.db2.gz CKMOCZDFNLVASA-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820683533 607090414 /nfs/dbraw/zinc/09/04/14/607090414.db2.gz CKMOCZDFNLVASA-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM CCCC1(C(=O)OCc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000821028760 607091781 /nfs/dbraw/zinc/09/17/81/607091781.db2.gz ZDXDNZMQYRKIGW-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM CCCC1(C(=O)OCc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000821028760 607091782 /nfs/dbraw/zinc/09/17/82/607091782.db2.gz ZDXDNZMQYRKIGW-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM CC(C)CCC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820074040 607116992 /nfs/dbraw/zinc/11/69/92/607116992.db2.gz YQOUJFCUHVOHFU-UHFFFAOYSA-N -1 3 300.410 2.914 20 0 DFADHM CC(C)CCC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820074040 607116994 /nfs/dbraw/zinc/11/69/94/607116994.db2.gz YQOUJFCUHVOHFU-UHFFFAOYSA-N -1 3 300.410 2.914 20 0 DFADHM Cc1noc(C)c1CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822522298 607124329 /nfs/dbraw/zinc/12/43/29/607124329.db2.gz GPDGCKPCJHWOBX-UHFFFAOYSA-N -1 3 304.741 2.737 20 0 DFADHM Cc1csc(CNc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822414551 607125058 /nfs/dbraw/zinc/12/50/58/607125058.db2.gz KBVFJEQFLNRDHB-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM CC(C)c1nccc(Oc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000820206304 607128350 /nfs/dbraw/zinc/12/83/50/607128350.db2.gz HXFSSBGHUCVJTA-UHFFFAOYSA-N -1 3 300.297 2.712 20 0 DFADHM CC(C)c1nccc(Oc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000820206304 607128352 /nfs/dbraw/zinc/12/83/52/607128352.db2.gz HXFSSBGHUCVJTA-UHFFFAOYSA-N -1 3 300.297 2.712 20 0 DFADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CC12CCC2 ZINC000819971657 607143312 /nfs/dbraw/zinc/14/33/12/607143312.db2.gz QIVYPYSVQQLYHZ-LLVKDONJSA-N -1 3 314.393 2.552 20 0 DFADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CC12CCC2 ZINC000819971657 607143313 /nfs/dbraw/zinc/14/33/13/607143313.db2.gz QIVYPYSVQQLYHZ-LLVKDONJSA-N -1 3 314.393 2.552 20 0 DFADHM CCc1cc(C)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821470175 607156929 /nfs/dbraw/zinc/15/69/29/607156929.db2.gz MPVBITSMOQGEKV-UHFFFAOYSA-N -1 3 312.329 2.688 20 0 DFADHM CCc1cc(C)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821470175 607156930 /nfs/dbraw/zinc/15/69/30/607156930.db2.gz MPVBITSMOQGEKV-UHFFFAOYSA-N -1 3 312.329 2.688 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccc(Cl)nc1 ZINC000822136984 607158344 /nfs/dbraw/zinc/15/83/44/607158344.db2.gz RXTOMYWKJOHMIM-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820072479 607163903 /nfs/dbraw/zinc/16/39/03/607163903.db2.gz HJPHBJYLYKXEIA-HNNXBMFYSA-N -1 3 313.405 2.908 20 0 DFADHM CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820072479 607163904 /nfs/dbraw/zinc/16/39/04/607163904.db2.gz HJPHBJYLYKXEIA-HNNXBMFYSA-N -1 3 313.405 2.908 20 0 DFADHM CCCc1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000821141949 607169459 /nfs/dbraw/zinc/16/94/59/607169459.db2.gz AEKDCPJUOLJPJC-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM CCCc1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000821141949 607169460 /nfs/dbraw/zinc/16/94/60/607169460.db2.gz AEKDCPJUOLJPJC-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM Cl/C=C\COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822563942 607169938 /nfs/dbraw/zinc/16/99/38/607169938.db2.gz RHCIUZKNNWOVLS-RJRFIUFISA-N -1 3 315.558 2.761 20 0 DFADHM Cl/C=C\COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822563942 607169939 /nfs/dbraw/zinc/16/99/39/607169939.db2.gz RHCIUZKNNWOVLS-RJRFIUFISA-N -1 3 315.558 2.761 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCc2cccc(F)c21 ZINC000823360189 607172507 /nfs/dbraw/zinc/17/25/07/607172507.db2.gz WWFCBELUFLIGDT-UHFFFAOYSA-N -1 3 324.319 2.600 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCc2cccc(F)c21 ZINC000823360189 607172508 /nfs/dbraw/zinc/17/25/08/607172508.db2.gz WWFCBELUFLIGDT-UHFFFAOYSA-N -1 3 324.319 2.600 20 0 DFADHM CC1(C)CCC(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820589139 607184468 /nfs/dbraw/zinc/18/44/68/607184468.db2.gz ASAJPZGNVQRUHY-UHFFFAOYSA-N -1 3 300.362 2.989 20 0 DFADHM CC1(C)CCC(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820589139 607184469 /nfs/dbraw/zinc/18/44/69/607184469.db2.gz ASAJPZGNVQRUHY-UHFFFAOYSA-N -1 3 300.362 2.989 20 0 DFADHM O=C(CCc1ccco1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822982163 607189420 /nfs/dbraw/zinc/18/94/20/607189420.db2.gz ABHNZHUYPYPTTL-UHFFFAOYSA-N -1 3 317.736 2.684 20 0 DFADHM O=C(CCc1ccco1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822982163 607189421 /nfs/dbraw/zinc/18/94/21/607189421.db2.gz ABHNZHUYPYPTTL-UHFFFAOYSA-N -1 3 317.736 2.684 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1F ZINC000823318941 607191136 /nfs/dbraw/zinc/19/11/36/607191136.db2.gz NPTUJPFAFZNVNR-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1F ZINC000823318941 607191137 /nfs/dbraw/zinc/19/11/37/607191137.db2.gz NPTUJPFAFZNVNR-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820716855 607196344 /nfs/dbraw/zinc/19/63/44/607196344.db2.gz MBADLZWVXJKKAJ-DTWKUNHWSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820716855 607196345 /nfs/dbraw/zinc/19/63/45/607196345.db2.gz MBADLZWVXJKKAJ-DTWKUNHWSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccco1 ZINC000819864975 607243281 /nfs/dbraw/zinc/24/32/81/607243281.db2.gz AZYLISAVSWRSNT-MRVPVSSYSA-N -1 3 317.736 2.855 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccco1 ZINC000819864975 607243282 /nfs/dbraw/zinc/24/32/82/607243282.db2.gz AZYLISAVSWRSNT-MRVPVSSYSA-N -1 3 317.736 2.855 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000823450298 607245615 /nfs/dbraw/zinc/24/56/15/607245615.db2.gz NKEGFBZBFSCTDE-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000823450298 607245616 /nfs/dbraw/zinc/24/56/16/607245616.db2.gz NKEGFBZBFSCTDE-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM CCSc1ccccc1OC(=O)c1ccc(-c2nn[nH]n2)[n-]1 ZINC000825674022 607778508 /nfs/dbraw/zinc/77/85/08/607778508.db2.gz FJLUNYHOOIQLGL-UHFFFAOYSA-N -1 3 315.358 2.526 20 0 DFADHM Cc1oc2ncnc(NCc3cccc(-c4nnn[n-]4)c3)c2c1C ZINC000826342628 607780795 /nfs/dbraw/zinc/78/07/95/607780795.db2.gz SXFWUQQDMRPLMR-UHFFFAOYSA-N -1 3 321.344 2.632 20 0 DFADHM Cc1oc2ncnc(NCc3cccc(-c4nn[n-]n4)c3)c2c1C ZINC000826342628 607780796 /nfs/dbraw/zinc/78/07/96/607780796.db2.gz SXFWUQQDMRPLMR-UHFFFAOYSA-N -1 3 321.344 2.632 20 0 DFADHM Cc1ccc([C@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)o1 ZINC000826283357 607791027 /nfs/dbraw/zinc/79/10/27/607791027.db2.gz PBDAFGJISUHKPT-NSHDSACASA-N -1 3 311.345 2.535 20 0 DFADHM Cc1ccc([C@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)o1 ZINC000826283357 607791028 /nfs/dbraw/zinc/79/10/28/607791028.db2.gz PBDAFGJISUHKPT-NSHDSACASA-N -1 3 311.345 2.535 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1F)OCc1ccccc1 ZINC000825962035 607792407 /nfs/dbraw/zinc/79/24/07/607792407.db2.gz QPNRTUSEIVWNFV-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1F)OCc1ccccc1 ZINC000825962035 607792408 /nfs/dbraw/zinc/79/24/08/607792408.db2.gz QPNRTUSEIVWNFV-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CC1(CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC000824817549 607794684 /nfs/dbraw/zinc/79/46/84/607794684.db2.gz OTBBUAZRADDAAA-UHFFFAOYSA-N -1 3 300.366 2.561 20 0 DFADHM CC1(CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC000824817549 607794685 /nfs/dbraw/zinc/79/46/85/607794685.db2.gz OTBBUAZRADDAAA-UHFFFAOYSA-N -1 3 300.366 2.561 20 0 DFADHM CCN(C(=O)[C@@H](C)c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366497 607799409 /nfs/dbraw/zinc/79/94/09/607799409.db2.gz AKFFYHWWNWZMLC-NSHDSACASA-N -1 3 311.345 2.616 20 0 DFADHM CCN(C(=O)[C@@H](C)c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366497 607799410 /nfs/dbraw/zinc/79/94/10/607799410.db2.gz AKFFYHWWNWZMLC-NSHDSACASA-N -1 3 311.345 2.616 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC(c2ccccn2)CC1 ZINC000826372262 607820536 /nfs/dbraw/zinc/82/05/36/607820536.db2.gz OULCXYOEZDGRHA-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM FC(F)(F)c1cccc(CNc2cnccc2-c2nnn[n-]2)c1 ZINC000826369111 607838499 /nfs/dbraw/zinc/83/84/99/607838499.db2.gz NEXCKXPMBGULMN-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM CC[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)OC ZINC000825159306 607844399 /nfs/dbraw/zinc/84/43/99/607844399.db2.gz NCBJESWZPMJOKV-VIFPVBQESA-N -1 3 312.782 2.564 20 0 DFADHM Cc1cc(C)cc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826265182 607869576 /nfs/dbraw/zinc/86/95/76/607869576.db2.gz OSSORNHMFIBXOG-MRXNPFEDSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1cc(C)cc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826265182 607869577 /nfs/dbraw/zinc/86/95/77/607869577.db2.gz OSSORNHMFIBXOG-MRXNPFEDSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826292280 607869604 /nfs/dbraw/zinc/86/96/04/607869604.db2.gz OQVKSQKGQLEOPO-INIZCTEOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826292280 607869605 /nfs/dbraw/zinc/86/96/05/607869605.db2.gz OQVKSQKGQLEOPO-INIZCTEOSA-N -1 3 310.357 2.596 20 0 DFADHM CCN(C(=O)CC(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366484 607877898 /nfs/dbraw/zinc/87/78/98/607877898.db2.gz AEVAJESACRGKMA-UHFFFAOYSA-N -1 3 307.785 2.919 20 0 DFADHM CCN(C(=O)CC(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366484 607877899 /nfs/dbraw/zinc/87/78/99/607877899.db2.gz AEVAJESACRGKMA-UHFFFAOYSA-N -1 3 307.785 2.919 20 0 DFADHM CSCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826229186 607894872 /nfs/dbraw/zinc/89/48/72/607894872.db2.gz SQJHVSZVHDMZIE-UHFFFAOYSA-N -1 3 303.313 2.660 20 0 DFADHM CSCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826229186 607894873 /nfs/dbraw/zinc/89/48/73/607894873.db2.gz SQJHVSZVHDMZIE-UHFFFAOYSA-N -1 3 303.313 2.660 20 0 DFADHM CC1(C)CCC[C@@H](C(=O)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824801167 607920515 /nfs/dbraw/zinc/92/05/15/607920515.db2.gz COHTWQWWJQGEKJ-GFCCVEGCSA-N -1 3 300.362 2.989 20 0 DFADHM CC1(C)CCC[C@@H](C(=O)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801167 607920516 /nfs/dbraw/zinc/92/05/16/607920516.db2.gz COHTWQWWJQGEKJ-GFCCVEGCSA-N -1 3 300.362 2.989 20 0 DFADHM Cc1cccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1F ZINC000826296036 607955884 /nfs/dbraw/zinc/95/58/84/607955884.db2.gz HNKMSJDGPOUSJP-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM Cc1cccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1F ZINC000826296036 607955885 /nfs/dbraw/zinc/95/58/85/607955885.db2.gz HNKMSJDGPOUSJP-UHFFFAOYSA-N -1 3 323.331 2.517 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000824716590 607959226 /nfs/dbraw/zinc/95/92/26/607959226.db2.gz YNGIBITZVODRJJ-ZHRWSRJISA-N -1 3 321.340 2.579 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000824716590 607959227 /nfs/dbraw/zinc/95/92/27/607959227.db2.gz YNGIBITZVODRJJ-ZHRWSRJISA-N -1 3 321.340 2.579 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1csc(C2CC2)n1 ZINC000826372068 607966015 /nfs/dbraw/zinc/96/60/15/607966015.db2.gz GFIICJVJZLXQHS-UHFFFAOYSA-N -1 3 317.349 2.919 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1csc(C2CC2)n1 ZINC000826372068 607966016 /nfs/dbraw/zinc/96/60/16/607966016.db2.gz GFIICJVJZLXQHS-UHFFFAOYSA-N -1 3 317.349 2.919 20 0 DFADHM COc1ccc(COc2cc(F)cc(F)c2)cc1-c1nnn[n-]1 ZINC000826207255 607972796 /nfs/dbraw/zinc/97/27/96/607972796.db2.gz HDBIQGWAWSKHQO-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(COc2cc(F)cc(F)c2)cc1-c1nn[n-]n1 ZINC000826207255 607972797 /nfs/dbraw/zinc/97/27/97/607972797.db2.gz HDBIQGWAWSKHQO-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM CC(=O)c1ccc(NCc2ccccc2-c2nnn[n-]2)cc1C ZINC000824025127 607982591 /nfs/dbraw/zinc/98/25/91/607982591.db2.gz VOBILSCTCIFJGS-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CC(=O)c1ccc(NCc2ccccc2-c2nn[n-]n2)cc1C ZINC000824025127 607982592 /nfs/dbraw/zinc/98/25/92/607982592.db2.gz VOBILSCTCIFJGS-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000824651279 608047090 /nfs/dbraw/zinc/04/70/90/608047090.db2.gz YRFHEGMENKTXAN-ZETCQYMHSA-N -1 3 308.183 2.840 20 0 DFADHM C[C@H](Nc1nc2ccccc2n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662753 608097020 /nfs/dbraw/zinc/09/70/20/608097020.db2.gz RGERWCSLLYGQLF-NSHDSACASA-N -1 3 319.372 2.927 20 0 DFADHM C[C@H](Nc1nc2ccccc2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662913 608097693 /nfs/dbraw/zinc/09/76/93/608097693.db2.gz TWFUTLUUFSFNHF-JTQLQIEISA-N -1 3 305.345 2.916 20 0 DFADHM CCC[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)C ZINC000825225010 608114530 /nfs/dbraw/zinc/11/45/30/608114530.db2.gz JISQKYWHUWDDTL-ZDUSSCGKSA-N -1 3 319.384 2.694 20 0 DFADHM CCC[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)C ZINC000825225010 608114531 /nfs/dbraw/zinc/11/45/31/608114531.db2.gz JISQKYWHUWDDTL-ZDUSSCGKSA-N -1 3 319.384 2.694 20 0 DFADHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824080078 608149835 /nfs/dbraw/zinc/14/98/35/608149835.db2.gz UGZJLZQKBLQTAX-KBPBESRZSA-N -1 3 301.394 2.872 20 0 DFADHM CCCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)CCC ZINC000825220415 608158128 /nfs/dbraw/zinc/15/81/28/608158128.db2.gz SYNNORSBUOFRJW-UHFFFAOYSA-N -1 3 300.366 2.727 20 0 DFADHM CCCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)CCC ZINC000825220415 608158129 /nfs/dbraw/zinc/15/81/29/608158129.db2.gz SYNNORSBUOFRJW-UHFFFAOYSA-N -1 3 300.366 2.727 20 0 DFADHM CCc1nsc(Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000825777446 608185762 /nfs/dbraw/zinc/18/57/62/608185762.db2.gz XGDSNSRYAPGZEG-UHFFFAOYSA-N -1 3 308.367 2.571 20 0 DFADHM CCc1nsc(Sc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000825777446 608185763 /nfs/dbraw/zinc/18/57/63/608185763.db2.gz XGDSNSRYAPGZEG-UHFFFAOYSA-N -1 3 308.367 2.571 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccco1 ZINC000826232112 608189216 /nfs/dbraw/zinc/18/92/16/608189216.db2.gz NYFKMQXTSOEPSK-TYBABMIJSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000826232112 608189217 /nfs/dbraw/zinc/18/92/17/608189217.db2.gz NYFKMQXTSOEPSK-TYBABMIJSA-N -1 3 310.313 2.777 20 0 DFADHM CC(C)c1nsc(Oc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000824371841 608189956 /nfs/dbraw/zinc/18/99/56/608189956.db2.gz VIKVLWSOKBLIMR-UHFFFAOYSA-N -1 3 306.326 2.773 20 0 DFADHM CC(C)c1nsc(Oc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000824371841 608189957 /nfs/dbraw/zinc/18/99/57/608189957.db2.gz VIKVLWSOKBLIMR-UHFFFAOYSA-N -1 3 306.326 2.773 20 0 DFADHM CCC1(CC)[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@H](C)[C@H]1OC ZINC000825170990 608197301 /nfs/dbraw/zinc/19/73/01/608197301.db2.gz LIFQUIWQYATFTD-ZLKJLUDKSA-N -1 3 316.409 2.513 20 0 DFADHM CCC1(CC)[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@H](C)[C@H]1OC ZINC000825170990 608197302 /nfs/dbraw/zinc/19/73/02/608197302.db2.gz LIFQUIWQYATFTD-ZLKJLUDKSA-N -1 3 316.409 2.513 20 0 DFADHM C[C@H]1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC12CCC2 ZINC000824953933 608200283 /nfs/dbraw/zinc/20/02/83/608200283.db2.gz IBEYKKKVAVNLAC-JTQLQIEISA-N -1 3 317.418 2.581 20 0 DFADHM C[C@H]1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC12CCC2 ZINC000824953933 608200285 /nfs/dbraw/zinc/20/02/85/608200285.db2.gz IBEYKKKVAVNLAC-JTQLQIEISA-N -1 3 317.418 2.581 20 0 DFADHM CSCCNc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826228928 608212999 /nfs/dbraw/zinc/21/29/99/608212999.db2.gz HBVOKSUQQFHTDY-UHFFFAOYSA-N -1 3 318.431 2.765 20 0 DFADHM CSCCNc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826228928 608213000 /nfs/dbraw/zinc/21/30/00/608213000.db2.gz HBVOKSUQQFHTDY-UHFFFAOYSA-N -1 3 318.431 2.765 20 0 DFADHM CC(C)OCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824314495 608219272 /nfs/dbraw/zinc/21/92/72/608219272.db2.gz BWEDGLSSPKSPQZ-UHFFFAOYSA-N -1 3 312.377 2.642 20 0 DFADHM CC(C)OCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824314495 608219273 /nfs/dbraw/zinc/21/92/73/608219273.db2.gz BWEDGLSSPKSPQZ-UHFFFAOYSA-N -1 3 312.377 2.642 20 0 DFADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccn1 ZINC000824662501 608225028 /nfs/dbraw/zinc/22/50/28/608225028.db2.gz LRWOJJHRPOKTLD-NSHDSACASA-N -1 3 317.356 2.983 20 0 DFADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccn1 ZINC000824662501 608225029 /nfs/dbraw/zinc/22/50/29/608225029.db2.gz LRWOJJHRPOKTLD-NSHDSACASA-N -1 3 317.356 2.983 20 0 DFADHM CSCCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826229114 608229125 /nfs/dbraw/zinc/22/91/25/608229125.db2.gz PJCVZJJTOTWYOA-UHFFFAOYSA-N -1 3 314.418 2.970 20 0 DFADHM CSCCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826229114 608229127 /nfs/dbraw/zinc/22/91/27/608229127.db2.gz PJCVZJJTOTWYOA-UHFFFAOYSA-N -1 3 314.418 2.970 20 0 DFADHM CSCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826228936 608229176 /nfs/dbraw/zinc/22/91/76/608229176.db2.gz HFWIDVFZWXZPPG-UHFFFAOYSA-N -1 3 300.391 2.580 20 0 DFADHM CSCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826228936 608229177 /nfs/dbraw/zinc/22/91/77/608229177.db2.gz HFWIDVFZWXZPPG-UHFFFAOYSA-N -1 3 300.391 2.580 20 0 DFADHM CCC1(O)CCC(Nc2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000825176091 608238630 /nfs/dbraw/zinc/23/86/30/608238630.db2.gz FVSFQMXDESBTJD-UHFFFAOYSA-N -1 3 323.347 2.641 20 0 DFADHM CCC1(O)CCC(Nc2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000825176091 608238631 /nfs/dbraw/zinc/23/86/31/608238631.db2.gz FVSFQMXDESBTJD-UHFFFAOYSA-N -1 3 323.347 2.641 20 0 DFADHM OC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000826508694 608240282 /nfs/dbraw/zinc/24/02/82/608240282.db2.gz ZIJKUOMKBUMGCO-CQSZACIVSA-N -1 3 315.764 2.666 20 0 DFADHM O=C(Nc1ccc(C2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826453543 608245511 /nfs/dbraw/zinc/24/55/11/608245511.db2.gz OIJMZMVBMYLYPR-UHFFFAOYSA-N -1 3 305.341 2.996 20 0 DFADHM O=C(Nc1ccc(C2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826453543 608245513 /nfs/dbraw/zinc/24/55/13/608245513.db2.gz OIJMZMVBMYLYPR-UHFFFAOYSA-N -1 3 305.341 2.996 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000825192730 608245960 /nfs/dbraw/zinc/24/59/60/608245960.db2.gz HTZWBGVLYWNQJG-DOMZBBRYSA-N -1 3 313.405 2.589 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000825192730 608245962 /nfs/dbraw/zinc/24/59/62/608245962.db2.gz HTZWBGVLYWNQJG-DOMZBBRYSA-N -1 3 313.405 2.589 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1c(F)cccc1F ZINC000826173012 608262573 /nfs/dbraw/zinc/26/25/73/608262573.db2.gz IWQGPXUEMTUTGB-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1c(F)cccc1F ZINC000826173012 608262574 /nfs/dbraw/zinc/26/25/74/608262574.db2.gz IWQGPXUEMTUTGB-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1cccc(F)c1F ZINC000826173300 608263573 /nfs/dbraw/zinc/26/35/73/608263573.db2.gz WRVFHHATIBJSFO-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1cccc(F)c1F ZINC000826173300 608263574 /nfs/dbraw/zinc/26/35/74/608263574.db2.gz WRVFHHATIBJSFO-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1cc(F)ccc1F ZINC000826173173 608263638 /nfs/dbraw/zinc/26/36/38/608263638.db2.gz QGSCPRLNIHPJDB-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1cc(F)ccc1F ZINC000826173173 608263640 /nfs/dbraw/zinc/26/36/40/608263640.db2.gz QGSCPRLNIHPJDB-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM Cc1cccc(OCCCNc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC000826300152 608271770 /nfs/dbraw/zinc/27/17/70/608271770.db2.gz KRVXCKFPGYKUDQ-UHFFFAOYSA-N -1 3 324.388 2.760 20 0 DFADHM Cc1cccc(OCCCNc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC000826300152 608271772 /nfs/dbraw/zinc/27/17/72/608271772.db2.gz KRVXCKFPGYKUDQ-UHFFFAOYSA-N -1 3 324.388 2.760 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](c3ccccc3)C2)n1 ZINC000826274333 608279951 /nfs/dbraw/zinc/27/99/51/608279951.db2.gz NWVZATSJFWCTIC-AWEZNQCLSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](c3ccccc3)C2)n1 ZINC000826274333 608279953 /nfs/dbraw/zinc/27/99/53/608279953.db2.gz NWVZATSJFWCTIC-AWEZNQCLSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCc3c2cccc3C)n1 ZINC000826275599 608283859 /nfs/dbraw/zinc/28/38/59/608283859.db2.gz FAOMGNKYXWWRSC-OAHLLOKOSA-N -1 3 306.373 2.978 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCc3c2cccc3C)n1 ZINC000826275599 608283860 /nfs/dbraw/zinc/28/38/60/608283860.db2.gz FAOMGNKYXWWRSC-OAHLLOKOSA-N -1 3 306.373 2.978 20 0 DFADHM Cc1ccsc1CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC000826276489 608293902 /nfs/dbraw/zinc/29/39/02/608293902.db2.gz IXFFOTJRBLNFOS-UHFFFAOYSA-N -1 3 300.391 2.595 20 0 DFADHM Cc1ccsc1CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC000826276489 608293904 /nfs/dbraw/zinc/29/39/04/608293904.db2.gz IXFFOTJRBLNFOS-UHFFFAOYSA-N -1 3 300.391 2.595 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(C)cc(F)c1 ZINC000826170598 608320617 /nfs/dbraw/zinc/32/06/17/608320617.db2.gz HOLOOYWLDVFTPZ-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(C)cc(F)c1 ZINC000826170598 608320619 /nfs/dbraw/zinc/32/06/19/608320619.db2.gz HOLOOYWLDVFTPZ-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM CCN(C(=O)[C@@H](C)C1CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362274 608344540 /nfs/dbraw/zinc/34/45/40/608344540.db2.gz LRONYQBUYBEONF-VIFPVBQESA-N -1 3 319.796 2.919 20 0 DFADHM CCN(C(=O)[C@@H](C)C1CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362274 608344542 /nfs/dbraw/zinc/34/45/42/608344542.db2.gz LRONYQBUYBEONF-VIFPVBQESA-N -1 3 319.796 2.919 20 0 DFADHM OC1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCCC1 ZINC000826505619 608376535 /nfs/dbraw/zinc/37/65/35/608376535.db2.gz AOHSUDWKJVKKIR-UHFFFAOYSA-N -1 3 307.785 2.627 20 0 DFADHM OC1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCCC1 ZINC000826505619 608376537 /nfs/dbraw/zinc/37/65/37/608376537.db2.gz AOHSUDWKJVKKIR-UHFFFAOYSA-N -1 3 307.785 2.627 20 0 DFADHM Cc1cccc2c1CCN(Cc1cccc(-c3nnn[n-]3)c1F)C2 ZINC000826304827 608392718 /nfs/dbraw/zinc/39/27/18/608392718.db2.gz ABSQXTNNKHMGPQ-UHFFFAOYSA-N -1 3 323.375 2.873 20 0 DFADHM CC[C@](C)(NCc1cccc(-c2nn[n-]n2)c1F)C(F)(F)F ZINC000825044682 608406267 /nfs/dbraw/zinc/40/62/67/608406267.db2.gz SEYAHKDPJWVOSL-LBPRGKRZSA-N -1 3 317.290 2.826 20 0 DFADHM CC[C@](C)(NCc1cccc(-c2nnn[n-]2)c1F)C(F)(F)F ZINC000825044682 608406266 /nfs/dbraw/zinc/40/62/66/608406266.db2.gz SEYAHKDPJWVOSL-LBPRGKRZSA-N -1 3 317.290 2.826 20 0 DFADHM COC1(C)CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826143961 608412019 /nfs/dbraw/zinc/41/20/19/608412019.db2.gz YDFWGDJGLFCRPM-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM COC1(C)CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826143961 608412021 /nfs/dbraw/zinc/41/20/21/608412021.db2.gz YDFWGDJGLFCRPM-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826146151 608414876 /nfs/dbraw/zinc/41/48/76/608414876.db2.gz QXXPXCJYQHGQGD-RNCFNFMXSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826146151 608414877 /nfs/dbraw/zinc/41/48/77/608414877.db2.gz QXXPXCJYQHGQGD-RNCFNFMXSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H](c1ccccn1)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824771137 608417447 /nfs/dbraw/zinc/41/74/47/608417447.db2.gz PLODRNPYWKCWKS-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM C[C@H](c1ccccn1)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824771137 608417448 /nfs/dbraw/zinc/41/74/48/608417448.db2.gz PLODRNPYWKCWKS-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM Fc1c(CN2CCC[C@H]2c2ccncc2)cccc1-c1nnn[n-]1 ZINC000826371097 608417866 /nfs/dbraw/zinc/41/78/66/608417866.db2.gz SICGIDRQDDGSKX-HNNXBMFYSA-N -1 3 324.363 2.738 20 0 DFADHM C[C@H]1CC(Nc2nc3ccccc3cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824898455 608444504 /nfs/dbraw/zinc/44/45/04/608444504.db2.gz FLIJYHBYMFQFMO-QWRGUYRKSA-N -1 3 324.388 2.783 20 0 DFADHM C[C@H]1CC(Nc2nc3ccccc3cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824898455 608444507 /nfs/dbraw/zinc/44/45/07/608444507.db2.gz FLIJYHBYMFQFMO-QWRGUYRKSA-N -1 3 324.388 2.783 20 0 DFADHM CSCCCCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826228066 608450091 /nfs/dbraw/zinc/45/00/91/608450091.db2.gz DAGHZLMMABFLDG-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM CSCCCCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826228066 608450093 /nfs/dbraw/zinc/45/00/93/608450093.db2.gz DAGHZLMMABFLDG-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM c1nc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000823867972 608460927 /nfs/dbraw/zinc/46/09/27/608460927.db2.gz LKXUWAHXEVTYTE-UHFFFAOYSA-N -1 3 324.413 2.613 20 0 DFADHM c1nc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000823867972 608460929 /nfs/dbraw/zinc/46/09/29/608460929.db2.gz LKXUWAHXEVTYTE-UHFFFAOYSA-N -1 3 324.413 2.613 20 0 DFADHM Cc1ccc(CC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826286826 608473762 /nfs/dbraw/zinc/47/37/62/608473762.db2.gz RPPRLAIWRHYNOX-NSHDSACASA-N -1 3 312.329 2.615 20 0 DFADHM Cc1ccc(CC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826286826 608473764 /nfs/dbraw/zinc/47/37/64/608473764.db2.gz RPPRLAIWRHYNOX-NSHDSACASA-N -1 3 312.329 2.615 20 0 DFADHM CC(C)=CCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000824177798 608475598 /nfs/dbraw/zinc/47/55/98/608475598.db2.gz KOMALMGDYCJCHF-UHFFFAOYSA-N -1 3 316.361 2.534 20 0 DFADHM CC(C)=CCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824177798 608475600 /nfs/dbraw/zinc/47/56/00/608475600.db2.gz KOMALMGDYCJCHF-UHFFFAOYSA-N -1 3 316.361 2.534 20 0 DFADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cscn1 ZINC000824530420 608492789 /nfs/dbraw/zinc/49/27/89/608492789.db2.gz LCRGPWNJPOJGNW-UWVGGRQHSA-N -1 3 300.391 2.735 20 0 DFADHM Fc1ccc2c(c1)CCN(c1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000826376149 608560340 /nfs/dbraw/zinc/56/03/40/608560340.db2.gz QFHGMTVJMPFPPC-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc2c(c1)CCN(c1ccc(F)cc1-c1nnn[n-]1)C2 ZINC000826376029 608560483 /nfs/dbraw/zinc/56/04/83/608560483.db2.gz LQWHJFJNXIVPKO-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc2c(c1)CCN(c1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000826376029 608560485 /nfs/dbraw/zinc/56/04/85/608560485.db2.gz LQWHJFJNXIVPKO-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454003 608572676 /nfs/dbraw/zinc/57/26/76/608572676.db2.gz GRJRRZSUERIOIL-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454003 608572677 /nfs/dbraw/zinc/57/26/77/608572677.db2.gz GRJRRZSUERIOIL-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM CC(C)[C@@H](O)C1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000824200407 608586305 /nfs/dbraw/zinc/58/63/05/608586305.db2.gz QKJSAAIFWJHSMQ-CYBMUJFWSA-N -1 3 321.812 2.729 20 0 DFADHM CC(C)[C@@H](O)C1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000824200407 608586307 /nfs/dbraw/zinc/58/63/07/608586307.db2.gz QKJSAAIFWJHSMQ-CYBMUJFWSA-N -1 3 321.812 2.729 20 0 DFADHM CCCN(Cc1cc(-c2nnn[n-]2)cs1)CC(F)(F)F ZINC000825314062 608598270 /nfs/dbraw/zinc/59/82/70/608598270.db2.gz WSLOHTBJKZBQRA-UHFFFAOYSA-N -1 3 305.329 2.703 20 0 DFADHM CCCN(Cc1cc(-c2nn[n-]n2)cs1)CC(F)(F)F ZINC000825314062 608598273 /nfs/dbraw/zinc/59/82/73/608598273.db2.gz WSLOHTBJKZBQRA-UHFFFAOYSA-N -1 3 305.329 2.703 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC(C)(C)C1 ZINC000826277701 608601196 /nfs/dbraw/zinc/60/11/96/608601196.db2.gz DIEOXQXCUMMSIT-LBPRGKRZSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC(C)(C)C1 ZINC000826277701 608601199 /nfs/dbraw/zinc/60/11/99/608601199.db2.gz DIEOXQXCUMMSIT-LBPRGKRZSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@@H](C)[C@H]2C)cccc1-c1nnn[n-]1 ZINC000826242044 608608992 /nfs/dbraw/zinc/60/89/92/608608992.db2.gz XUBDSZLGWWEIIM-ZYHUDNBSSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@@H](C)[C@H]2C)cccc1-c1nn[n-]n1 ZINC000826242044 608608994 /nfs/dbraw/zinc/60/89/94/608608994.db2.gz XUBDSZLGWWEIIM-ZYHUDNBSSA-N -1 3 314.393 2.827 20 0 DFADHM Fc1cccc2c1CCN(Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC000826377880 608692104 /nfs/dbraw/zinc/69/21/04/608692104.db2.gz KOIIJUJLXKXSMP-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1cccc2c1CCN(Cc1ccc(-c3nn[n-]n3)s1)C2 ZINC000826377880 608692106 /nfs/dbraw/zinc/69/21/06/608692106.db2.gz KOIIJUJLXKXSMP-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM FC(F)(F)[C@H]1CCC[C@@H](Nc2cnccc2-c2nnn[n-]2)C1 ZINC000826367262 608772734 /nfs/dbraw/zinc/77/27/34/608772734.db2.gz RRIWAANHTLFZPA-DTWKUNHWSA-N -1 3 312.299 2.795 20 0 DFADHM FC(F)(F)[C@H]1CCC[C@@H](Nc2cnccc2-c2nn[n-]n2)C1 ZINC000826367262 608772735 /nfs/dbraw/zinc/77/27/35/608772735.db2.gz RRIWAANHTLFZPA-DTWKUNHWSA-N -1 3 312.299 2.795 20 0 DFADHM C[C@@H](Nc1cnccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824662125 608776174 /nfs/dbraw/zinc/77/61/74/608776174.db2.gz CYRGXVZMEQLOPG-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](Nc1cnccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824662125 608776176 /nfs/dbraw/zinc/77/61/76/608776176.db2.gz CYRGXVZMEQLOPG-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM COc1cc(Cl)ccc1CNc1cnccc1-c1nnn[n-]1 ZINC000826180247 608781425 /nfs/dbraw/zinc/78/14/25/608781425.db2.gz ZEKJHKLKIRBSBK-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1cc(Cl)ccc1CNc1cnccc1-c1nn[n-]n1 ZINC000826180247 608781426 /nfs/dbraw/zinc/78/14/26/608781426.db2.gz ZEKJHKLKIRBSBK-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cnccc1-c1nnn[n-]1 ZINC000824899836 608786656 /nfs/dbraw/zinc/78/66/56/608786656.db2.gz PFYPBJQZIJHSRJ-WCQYABFASA-N -1 3 324.363 2.783 20 0 DFADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cnccc1-c1nn[n-]n1 ZINC000824899836 608786658 /nfs/dbraw/zinc/78/66/58/608786658.db2.gz PFYPBJQZIJHSRJ-WCQYABFASA-N -1 3 324.363 2.783 20 0 DFADHM CC(=O)Nc1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824005561 609160662 /nfs/dbraw/zinc/16/06/62/609160662.db2.gz XPZQLXIYVOOMKU-LLVKDONJSA-N -1 3 322.372 2.998 20 0 DFADHM CC(=O)Nc1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824005561 609160663 /nfs/dbraw/zinc/16/06/63/609160663.db2.gz XPZQLXIYVOOMKU-LLVKDONJSA-N -1 3 322.372 2.998 20 0 DFADHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H](c2ccco2)C1 ZINC000824962937 609164498 /nfs/dbraw/zinc/16/44/98/609164498.db2.gz YGVRLVRZFDIQKH-BXUZGUMPSA-N -1 3 310.361 2.832 20 0 DFADHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H](c2ccco2)C1 ZINC000824962937 609164499 /nfs/dbraw/zinc/16/44/99/609164499.db2.gz YGVRLVRZFDIQKH-BXUZGUMPSA-N -1 3 310.361 2.832 20 0 DFADHM CN(C)c1ccccc1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000825883080 609176190 /nfs/dbraw/zinc/17/61/90/609176190.db2.gz BMLGNAPPNGRVMY-UHFFFAOYSA-N -1 3 312.402 2.620 20 0 DFADHM CN(C)c1ccccc1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000825883080 609176192 /nfs/dbraw/zinc/17/61/92/609176192.db2.gz BMLGNAPPNGRVMY-UHFFFAOYSA-N -1 3 312.402 2.620 20 0 DFADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826284034 609204642 /nfs/dbraw/zinc/20/46/42/609204642.db2.gz IJQHVQHYTVVXTL-GFCCVEGCSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826284034 609204643 /nfs/dbraw/zinc/20/46/43/609204643.db2.gz IJQHVQHYTVVXTL-GFCCVEGCSA-N -1 3 324.388 2.645 20 0 DFADHM CCCCc1nnc(NCc2ccc(-c3nnn[n-]3)s2)s1 ZINC000825296366 609264201 /nfs/dbraw/zinc/26/42/01/609264201.db2.gz GFAXCAKVWNXXTC-UHFFFAOYSA-N -1 3 321.435 2.734 20 0 DFADHM CC(C)c1nnc(NCc2cc(-c3nnn[n-]3)cs2)s1 ZINC000824364962 609265791 /nfs/dbraw/zinc/26/57/91/609265791.db2.gz XFJIODLMMHZMCD-UHFFFAOYSA-N -1 3 307.408 2.515 20 0 DFADHM CC(C)c1nnc(NCc2cc(-c3nn[n-]n3)cs2)s1 ZINC000824364962 609265793 /nfs/dbraw/zinc/26/57/93/609265793.db2.gz XFJIODLMMHZMCD-UHFFFAOYSA-N -1 3 307.408 2.515 20 0 DFADHM Cc1nn(C)c(C)c1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826333730 609269688 /nfs/dbraw/zinc/26/96/88/609269688.db2.gz SHPHVGKKWXUGOJ-HNNXBMFYSA-N -1 3 323.404 2.707 20 0 DFADHM Cc1nn(C)c(C)c1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826333730 609269689 /nfs/dbraw/zinc/26/96/89/609269689.db2.gz SHPHVGKKWXUGOJ-HNNXBMFYSA-N -1 3 323.404 2.707 20 0 DFADHM CCCCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CC1 ZINC000825281412 609296030 /nfs/dbraw/zinc/29/60/30/609296030.db2.gz DPCIFTZBYBBRBW-UHFFFAOYSA-N -1 3 319.796 2.925 20 0 DFADHM CCCCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CC1 ZINC000825281412 609296032 /nfs/dbraw/zinc/29/60/32/609296032.db2.gz DPCIFTZBYBBRBW-UHFFFAOYSA-N -1 3 319.796 2.925 20 0 DFADHM CN(C[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825908656 609324202 /nfs/dbraw/zinc/32/42/02/609324202.db2.gz KNEAWDHUICRTPW-YGRLFVJLSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825908656 609324204 /nfs/dbraw/zinc/32/42/04/609324204.db2.gz KNEAWDHUICRTPW-YGRLFVJLSA-N -1 3 321.812 2.507 20 0 DFADHM COCCC[C@@H](C)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826155666 609325988 /nfs/dbraw/zinc/32/59/88/609325988.db2.gz XWIIQZSQHVZIFC-NEPJUHHUSA-N -1 3 318.377 2.534 20 0 DFADHM COCCC[C@@H](C)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826155666 609325990 /nfs/dbraw/zinc/32/59/90/609325990.db2.gz XWIIQZSQHVZIFC-NEPJUHHUSA-N -1 3 318.377 2.534 20 0 DFADHM CCN(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000825429256 609355620 /nfs/dbraw/zinc/35/56/20/609355620.db2.gz ZOLCTNOHLBXLAU-UHFFFAOYSA-N -1 3 322.210 2.614 20 0 DFADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1CCC1 ZINC000826474444 609368237 /nfs/dbraw/zinc/36/82/37/609368237.db2.gz QADJHUZSJBKLNX-UHFFFAOYSA-N -1 3 321.340 2.505 20 0 DFADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1CCC1 ZINC000826474444 609368239 /nfs/dbraw/zinc/36/82/39/609368239.db2.gz QADJHUZSJBKLNX-UHFFFAOYSA-N -1 3 321.340 2.505 20 0 DFADHM C[C@H]1CC[C@]2(CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)C1 ZINC000824919536 609389761 /nfs/dbraw/zinc/38/97/61/609389761.db2.gz WEUYVQZVAKWKNS-SGTLLEGYSA-N -1 3 324.432 2.767 20 0 DFADHM C[C@H]1CC[C@]2(CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)C1 ZINC000824919536 609389762 /nfs/dbraw/zinc/38/97/62/609389762.db2.gz WEUYVQZVAKWKNS-SGTLLEGYSA-N -1 3 324.432 2.767 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)C1 ZINC000824919537 609389953 /nfs/dbraw/zinc/38/99/53/609389953.db2.gz WEUYVQZVAKWKNS-XIKOKIGWSA-N -1 3 324.432 2.767 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)C1 ZINC000824919537 609389956 /nfs/dbraw/zinc/38/99/56/609389956.db2.gz WEUYVQZVAKWKNS-XIKOKIGWSA-N -1 3 324.432 2.767 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824795926 609391893 /nfs/dbraw/zinc/39/18/93/609391893.db2.gz JCJWYXXEYMGMLZ-CYBMUJFWSA-N -1 3 300.362 2.736 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824795926 609391895 /nfs/dbraw/zinc/39/18/95/609391895.db2.gz JCJWYXXEYMGMLZ-CYBMUJFWSA-N -1 3 300.362 2.736 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCCOc1ccccc1 ZINC000824019427 609419035 /nfs/dbraw/zinc/41/90/35/609419035.db2.gz ACCWESAUHRJWQM-UHFFFAOYSA-N -1 3 323.356 2.560 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCCOc1ccccc1 ZINC000824019427 609419036 /nfs/dbraw/zinc/41/90/36/609419036.db2.gz ACCWESAUHRJWQM-UHFFFAOYSA-N -1 3 323.356 2.560 20 0 DFADHM CCc1cc(Oc2cc(Cl)ccc2-c2nnn[n-]2)nc(C)n1 ZINC000825700768 609436655 /nfs/dbraw/zinc/43/66/55/609436655.db2.gz RUTMMMSBNQDIGV-UHFFFAOYSA-N -1 3 316.752 2.973 20 0 DFADHM CCc1cc(Oc2cc(Cl)ccc2-c2nn[n-]n2)nc(C)n1 ZINC000825700768 609436657 /nfs/dbraw/zinc/43/66/57/609436657.db2.gz RUTMMMSBNQDIGV-UHFFFAOYSA-N -1 3 316.752 2.973 20 0 DFADHM OCc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826510328 609438547 /nfs/dbraw/zinc/43/85/47/609438547.db2.gz KLRWQUNYMQLZHO-UHFFFAOYSA-N -1 3 315.764 2.625 20 0 DFADHM OCc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826510328 609438549 /nfs/dbraw/zinc/43/85/49/609438549.db2.gz KLRWQUNYMQLZHO-UHFFFAOYSA-N -1 3 315.764 2.625 20 0 DFADHM CCc1ncc(CNc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000825750482 609478715 /nfs/dbraw/zinc/47/87/15/609478715.db2.gz REWBAVGZORRSAJ-UHFFFAOYSA-N -1 3 300.391 2.806 20 0 DFADHM CCc1ncc(CNc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000825750482 609478716 /nfs/dbraw/zinc/47/87/16/609478716.db2.gz REWBAVGZORRSAJ-UHFFFAOYSA-N -1 3 300.391 2.806 20 0 DFADHM CCCCCCNc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825271417 609483078 /nfs/dbraw/zinc/48/30/78/609483078.db2.gz JIJXQBZVGXAIPX-UHFFFAOYSA-N -1 3 319.409 2.884 20 0 DFADHM CCCCCCNc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825271417 609483080 /nfs/dbraw/zinc/48/30/80/609483080.db2.gz JIJXQBZVGXAIPX-UHFFFAOYSA-N -1 3 319.409 2.884 20 0 DFADHM CC(C)Oc1ccc(NCc2ccn(C)c2)cc1-c1nnn[n-]1 ZINC000824329079 609492123 /nfs/dbraw/zinc/49/21/23/609492123.db2.gz HPPBZXMOXXPCCS-UHFFFAOYSA-N -1 3 312.377 2.605 20 0 DFADHM CC(C)Oc1ccc(NCc2ccn(C)c2)cc1-c1nn[n-]n1 ZINC000824329079 609492125 /nfs/dbraw/zinc/49/21/25/609492125.db2.gz HPPBZXMOXXPCCS-UHFFFAOYSA-N -1 3 312.377 2.605 20 0 DFADHM CC(C)Oc1ccc(N[C@@H]2CCO[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000824329360 609492430 /nfs/dbraw/zinc/49/24/30/609492430.db2.gz NEGYUJREYCAIBJ-WCQYABFASA-N -1 3 317.393 2.633 20 0 DFADHM CC(C)Oc1ccc(N[C@@H]2CCO[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000824329360 609492432 /nfs/dbraw/zinc/49/24/32/609492432.db2.gz NEGYUJREYCAIBJ-WCQYABFASA-N -1 3 317.393 2.633 20 0 DFADHM C[C@@H](NC(=O)C12CCC(CC1)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000824471477 609504037 /nfs/dbraw/zinc/50/40/37/609504037.db2.gz QWDISQCTEOEEDJ-ZBFVHZJFSA-N -1 3 311.389 2.624 20 0 DFADHM C[C@@H](NC(=O)C12CCC(CC1)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000824471477 609504038 /nfs/dbraw/zinc/50/40/38/609504038.db2.gz QWDISQCTEOEEDJ-ZBFVHZJFSA-N -1 3 311.389 2.624 20 0 DFADHM Cc1ccnc(Cl)c1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826308635 609522798 /nfs/dbraw/zinc/52/27/98/609522798.db2.gz 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/nfs/dbraw/zinc/57/13/56/609571356.db2.gz PGEITHBQEFLYEP-YUTCNCBUSA-N -1 3 312.421 2.975 20 0 DFADHM Cc1ccnc(N2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826310223 609571358 /nfs/dbraw/zinc/57/13/58/609571358.db2.gz PGEITHBQEFLYEP-YUTCNCBUSA-N -1 3 312.421 2.975 20 0 DFADHM Cc1c(Cl)cnc(N[C@H]2CCC(F)(F)C2)c1-c1nnn[n-]1 ZINC000826238857 609577196 /nfs/dbraw/zinc/57/71/96/609577196.db2.gz QYOZFKKNRFNMMO-ZETCQYMHSA-N -1 3 314.727 2.823 20 0 DFADHM Cc1c(Cl)cnc(N[C@H]2CCC(F)(F)C2)c1-c1nn[n-]n1 ZINC000826238857 609577197 /nfs/dbraw/zinc/57/71/97/609577197.db2.gz QYOZFKKNRFNMMO-ZETCQYMHSA-N -1 3 314.727 2.823 20 0 DFADHM C(=C/[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)\c1ccccc1 ZINC000823861302 609577986 /nfs/dbraw/zinc/57/79/86/609577986.db2.gz DBRMWLHWAASEKW-HVHJFMEUSA-N -1 3 318.384 2.944 20 0 DFADHM C(=C/[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)\c1ccccc1 ZINC000823861302 609577988 /nfs/dbraw/zinc/57/79/88/609577988.db2.gz DBRMWLHWAASEKW-HVHJFMEUSA-N -1 3 318.384 2.944 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(NCC[C@@H]2CCCCO2)c1 ZINC000826351457 609581648 /nfs/dbraw/zinc/58/16/48/609581648.db2.gz NELCIPGJCHFWGV-NSHDSACASA-N -1 3 307.785 2.891 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(NCC[C@@H]2CCCCO2)c1 ZINC000826351457 609581650 /nfs/dbraw/zinc/58/16/50/609581650.db2.gz NELCIPGJCHFWGV-NSHDSACASA-N -1 3 307.785 2.891 20 0 DFADHM CS[C@@H](CNc1nccc(C)c1-c1nnn[n-]1)C(C)(C)C ZINC000826226239 609591647 /nfs/dbraw/zinc/59/16/47/609591647.db2.gz VMRKEPZKKRNUIG-JTQLQIEISA-N -1 3 306.439 2.760 20 0 DFADHM CS[C@@H](CNc1nccc(C)c1-c1nn[n-]n1)C(C)(C)C ZINC000826226239 609591648 /nfs/dbraw/zinc/59/16/48/609591648.db2.gz VMRKEPZKKRNUIG-JTQLQIEISA-N -1 3 306.439 2.760 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825052460 609599517 /nfs/dbraw/zinc/59/95/17/609599517.db2.gz XCJRJHNJJZQUNO-RYUDHWBXSA-N -1 3 313.405 2.654 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825052460 609599519 /nfs/dbraw/zinc/59/95/19/609599519.db2.gz XCJRJHNJJZQUNO-RYUDHWBXSA-N -1 3 313.405 2.654 20 0 DFADHM Cc1ccc(C2=CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000826285378 609606652 /nfs/dbraw/zinc/60/66/52/609606652.db2.gz YFQVUFSPQPHTBY-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM Cc1ccc(C2=CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000826285378 609606654 /nfs/dbraw/zinc/60/66/54/609606654.db2.gz YFQVUFSPQPHTBY-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825050163 609639369 /nfs/dbraw/zinc/63/93/69/609639369.db2.gz HPOZYZVEXIKLGP-VAWYXSNFSA-N -1 3 316.361 2.535 20 0 DFADHM CC/C(C)=C(\C)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825050163 609639371 /nfs/dbraw/zinc/63/93/71/609639371.db2.gz HPOZYZVEXIKLGP-VAWYXSNFSA-N -1 3 316.361 2.535 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000825051292 609639381 /nfs/dbraw/zinc/63/93/81/609639381.db2.gz NFPDNIRLBQJOIU-KTKRTIGZSA-N -1 3 304.325 2.795 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000825051292 609639384 /nfs/dbraw/zinc/63/93/84/609639384.db2.gz NFPDNIRLBQJOIU-KTKRTIGZSA-N -1 3 304.325 2.795 20 0 DFADHM C[C@H]1C[C@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000824876189 609640546 /nfs/dbraw/zinc/64/05/46/609640546.db2.gz RBTKNXSZTLSSSA-JYAVWHMHSA-N -1 3 314.389 2.982 20 0 DFADHM C[C@H]1C[C@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000824876189 609640547 /nfs/dbraw/zinc/64/05/47/609640547.db2.gz RBTKNXSZTLSSSA-JYAVWHMHSA-N -1 3 314.389 2.982 20 0 DFADHM CCN(Cc1occc1C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000412787782 295656618 /nfs/dbraw/zinc/65/66/18/295656618.db2.gz FGSRUYBPCFUTJR-UHFFFAOYSA-N -1 3 319.357 2.973 20 0 DFADHM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc2n[n-]nc2c1 ZINC000076631131 185027639 /nfs/dbraw/zinc/02/76/39/185027639.db2.gz QIEXOGAUUNKEME-INIZCTEOSA-N -1 3 306.369 2.709 20 0 DFADHM [O-]c1cccc(CN2CCc3cncnc3C2)c1Br ZINC000459276452 299072415 /nfs/dbraw/zinc/07/24/15/299072415.db2.gz FWAZOGXXTZGARU-UHFFFAOYSA-N -1 3 320.190 2.503 20 0 DFADHM CCc1nc(C(C)(C)NC(=O)Cc2ccc([O-])cc2Cl)no1 ZINC000443365227 297220838 /nfs/dbraw/zinc/22/08/38/297220838.db2.gz JJZAWCLLIKDIPB-UHFFFAOYSA-N -1 3 323.780 2.585 20 0 DFADHM CC(C)(O)CON=C([O-])Nc1ccc(Cl)cc1OC(F)F ZINC000278653388 214303516 /nfs/dbraw/zinc/30/35/16/214303516.db2.gz WGWGTVMJMALJOV-UHFFFAOYSA-N -1 3 324.711 2.765 20 0 DFADHM CC(C)(O)CO[N-]C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000278653388 214303519 /nfs/dbraw/zinc/30/35/19/214303519.db2.gz WGWGTVMJMALJOV-UHFFFAOYSA-N -1 3 324.711 2.765 20 0 DFADHM CC(C)(O)CON=C([O-])Nc1ccc(OC2CCCC2)cc1 ZINC000278669543 214313469 /nfs/dbraw/zinc/31/34/69/214313469.db2.gz QXFYSCJBRMNWJK-UHFFFAOYSA-N -1 3 308.378 2.832 20 0 DFADHM CC(C)(O)CO[N-]C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000278669543 214313472 /nfs/dbraw/zinc/31/34/72/214313472.db2.gz QXFYSCJBRMNWJK-UHFFFAOYSA-N -1 3 308.378 2.832 20 0 DFADHM COCc1cc(C(=O)[N-]c2nc3c(cccc3C)s2)no1 ZINC000079342718 185165982 /nfs/dbraw/zinc/16/59/82/185165982.db2.gz AZBUCJMGTWLRCA-UHFFFAOYSA-N -1 3 303.343 2.991 20 0 DFADHM Cc1ccc(Br)cc1NC([O-])=NOCC(C)(C)O ZINC000278700188 214336078 /nfs/dbraw/zinc/33/60/78/214336078.db2.gz SYKCDKZPKSDVKL-UHFFFAOYSA-N -1 3 317.183 2.582 20 0 DFADHM Cc1ccc(Br)cc1NC(=O)[N-]OCC(C)(C)O ZINC000278700188 214336080 /nfs/dbraw/zinc/33/60/80/214336080.db2.gz SYKCDKZPKSDVKL-UHFFFAOYSA-N -1 3 317.183 2.582 20 0 DFADHM CCO[N-]C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000079429839 185171108 /nfs/dbraw/zinc/17/11/08/185171108.db2.gz SBZIXQPBOMMIOM-GXTWGEPZSA-N -1 3 322.405 2.956 20 0 DFADHM O=C([O-])[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000309791541 231103586 /nfs/dbraw/zinc/10/35/86/231103586.db2.gz XOJHILSIBGVJJU-SFHVURJKSA-N -1 3 321.380 2.847 20 0 DFADHM O=c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c[nH]1 ZINC000311906663 231119779 /nfs/dbraw/zinc/11/97/79/231119779.db2.gz BWAXYXVSVYZNRC-UHFFFAOYSA-N -1 3 319.169 2.895 20 0 DFADHM CSc1ccc(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c([O-])c1 ZINC000365527947 295675786 /nfs/dbraw/zinc/67/57/86/295675786.db2.gz 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FBWDXFRSJJNPMW-UHFFFAOYSA-N -1 3 304.277 2.962 20 0 DFADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000320065912 398545543 /nfs/dbraw/zinc/54/55/43/398545543.db2.gz UTEYOZCLDAGWCI-KRWDZBQOSA-N -1 3 305.422 2.931 20 0 DFADHM COc1ccc([C@@H](C)N(C)C(=O)Cc2cncc([O-])c2)cc1 ZINC000569377984 302515835 /nfs/dbraw/zinc/51/58/35/302515835.db2.gz BZRKJKCVVFSMLV-GFCCVEGCSA-N -1 3 300.358 2.558 20 0 DFADHM COCCCO[N-]C(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000286946313 219239663 /nfs/dbraw/zinc/23/96/63/219239663.db2.gz IVCIMHFWDYOOOI-UHFFFAOYSA-N -1 3 323.393 2.679 20 0 DFADHM COc1cc(C(=O)NCC2(OC)CCC(C)CC2)ccc1[O-] ZINC000279760187 215123759 /nfs/dbraw/zinc/12/37/59/215123759.db2.gz FGTPFSFMQPISRK-UHFFFAOYSA-N -1 3 307.390 2.726 20 0 DFADHM CSc1ccc(O[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000077612429 282581424 /nfs/dbraw/zinc/58/14/24/282581424.db2.gz GRVKEAFHFQOPHX-SNVBAGLBSA-N -1 3 304.371 2.915 20 0 DFADHM COc1cc2c(cc1CN1CCC[C@@H](CC(=O)[O-])C1)O[C@H](C)C2 ZINC000322416565 398557338 /nfs/dbraw/zinc/55/73/38/398557338.db2.gz KJXGOOORNHQPIY-OLZOCXBDSA-N -1 3 319.401 2.705 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000078388107 282593693 /nfs/dbraw/zinc/59/36/93/282593693.db2.gz PRNFQGFSVYMQIJ-SNVBAGLBSA-N -1 3 311.341 2.768 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCSC1)c1cc(F)ccc1Cl ZINC000279802944 215160445 /nfs/dbraw/zinc/16/04/45/215160445.db2.gz PGHCHOFRBXWSBO-QMMMGPOBSA-N -1 3 309.815 2.511 20 0 DFADHM O=C(NCc1ccccc1OC(F)F)c1c([O-])cccc1O ZINC000092106352 398559970 /nfs/dbraw/zinc/55/99/70/398559970.db2.gz XGOUKTACCYVHMV-UHFFFAOYSA-N -1 3 309.268 2.629 20 0 DFADHM O=C(NCCc1cccc2cccnc21)c1c([O-])cccc1O ZINC000092106348 398560026 /nfs/dbraw/zinc/56/00/26/398560026.db2.gz UNFNQJUWYCGYPR-UHFFFAOYSA-N -1 3 308.337 2.619 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCCC1 ZINC000286999285 219262839 /nfs/dbraw/zinc/26/28/39/219262839.db2.gz UBDGJTIEZBVGME-SECBINFHSA-N -1 3 322.352 2.957 20 0 DFADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000069446653 398570151 /nfs/dbraw/zinc/57/01/51/398570151.db2.gz OEJSIOKUHWKIKI-UHFFFAOYSA-N -1 3 307.346 2.870 20 0 DFADHM CSc1nnc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)[n-]1 ZINC000589694654 398571172 /nfs/dbraw/zinc/57/11/72/398571172.db2.gz RVCJIWZKMUIUDW-WCBMZHEXSA-N -1 3 306.391 2.814 20 0 DFADHM CSc1n[n-]c(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000589694654 398571176 /nfs/dbraw/zinc/57/11/76/398571176.db2.gz RVCJIWZKMUIUDW-WCBMZHEXSA-N -1 3 306.391 2.814 20 0 DFADHM CSc1nc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)n[n-]1 ZINC000589694654 398571181 /nfs/dbraw/zinc/57/11/81/398571181.db2.gz RVCJIWZKMUIUDW-WCBMZHEXSA-N -1 3 306.391 2.814 20 0 DFADHM CSc1nnc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)[n-]1 ZINC000589694655 398571660 /nfs/dbraw/zinc/57/16/60/398571660.db2.gz RVCJIWZKMUIUDW-WPRPVWTQSA-N -1 3 306.391 2.814 20 0 DFADHM CSc1n[n-]c(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)n1 ZINC000589694655 398571662 /nfs/dbraw/zinc/57/16/62/398571662.db2.gz RVCJIWZKMUIUDW-WPRPVWTQSA-N -1 3 306.391 2.814 20 0 DFADHM CSc1nc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)n[n-]1 ZINC000589694655 398571664 /nfs/dbraw/zinc/57/16/64/398571664.db2.gz RVCJIWZKMUIUDW-WPRPVWTQSA-N -1 3 306.391 2.814 20 0 DFADHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000080000367 282616549 /nfs/dbraw/zinc/61/65/49/282616549.db2.gz ZUDKOOGWPVSVBA-CQSZACIVSA-N -1 3 318.348 2.691 20 0 DFADHM CO[C@@]1(C)CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000279893576 215213534 /nfs/dbraw/zinc/21/35/34/215213534.db2.gz HPWXVZAYEZKTCX-KRWDZBQOSA-N -1 3 300.358 2.582 20 0 DFADHM CSCCO[N-]C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000279939799 215254187 /nfs/dbraw/zinc/25/41/87/215254187.db2.gz IKPOPSVSDYCICB-DTWKUNHWSA-N -1 3 305.321 2.618 20 0 DFADHM CCc1cccc(C(=O)N[C@@H](C)CC(=O)c2ccco2)c1[O-] ZINC000092600866 398586439 /nfs/dbraw/zinc/58/64/39/398586439.db2.gz KKWSCTLDNHZXDB-NSHDSACASA-N -1 3 301.342 2.939 20 0 DFADHM Cc1noc2ncc(C(=O)[N-]c3nnc(C(C)C)s3)cc12 ZINC000042649280 398599090 /nfs/dbraw/zinc/59/90/90/398599090.db2.gz CMFJPSBZTKBKNL-UHFFFAOYSA-N -1 3 303.347 2.758 20 0 DFADHM Cc1n[nH]c(C)c1[C@@H](C)Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350552902 398607061 /nfs/dbraw/zinc/60/70/61/398607061.db2.gz VYFJHQYYBQSJQT-QMMMGPOBSA-N -1 3 323.360 2.694 20 0 DFADHM COc1cc(C(=O)NC[C@@H]2CCC[C@H](C)C2)cc(OC)c1[O-] ZINC000138301267 186015997 /nfs/dbraw/zinc/01/59/97/186015997.db2.gz RSEUXXJRIKLMPJ-NWDGAFQWSA-N -1 3 307.390 2.966 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccnc(Oc2ccccc2)c1 ZINC000414470444 295803965 /nfs/dbraw/zinc/80/39/65/295803965.db2.gz OVHKTSXTAKVETN-GFCCVEGCSA-N -1 3 322.386 2.651 20 0 DFADHM CCSCC[C@H](C)N(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000597324768 398620931 /nfs/dbraw/zinc/62/09/31/398620931.db2.gz QXAGTIWWTFJWCZ-JTQLQIEISA-N -1 3 307.419 2.872 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc(Cl)c1F ZINC000150760698 186064756 /nfs/dbraw/zinc/06/47/56/186064756.db2.gz BBZGTTICZNPDJO-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc(Cl)c1F ZINC000150760698 186064758 /nfs/dbraw/zinc/06/47/58/186064758.db2.gz BBZGTTICZNPDJO-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM C[C@@H](CO)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000093244871 398625536 /nfs/dbraw/zinc/62/55/36/398625536.db2.gz GUPYAIDTYAAPNB-AWEZNQCLSA-N -1 3 313.397 2.630 20 0 DFADHM COCCCO[N-]C(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000287125208 219329843 /nfs/dbraw/zinc/32/98/43/219329843.db2.gz AJGAOYMYQRQSLQ-NSHDSACASA-N -1 3 313.781 2.633 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000152434009 186072311 /nfs/dbraw/zinc/07/23/11/186072311.db2.gz DOCWAIZGHTUWAR-KGLIPLIRSA-N -1 3 304.296 2.711 20 0 DFADHM CSCCC(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000590556320 398630926 /nfs/dbraw/zinc/63/09/26/398630926.db2.gz CHMXDSAKNMWOAC-UHFFFAOYSA-N -1 3 313.386 2.712 20 0 DFADHM CSCCC(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000590556320 398630929 /nfs/dbraw/zinc/63/09/29/398630929.db2.gz CHMXDSAKNMWOAC-UHFFFAOYSA-N -1 3 313.386 2.712 20 0 DFADHM CSCCC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000590556320 398630932 /nfs/dbraw/zinc/63/09/32/398630932.db2.gz CHMXDSAKNMWOAC-UHFFFAOYSA-N -1 3 313.386 2.712 20 0 DFADHM COCCCO[N-]C(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000287160747 219351062 /nfs/dbraw/zinc/35/10/62/219351062.db2.gz NYCRIRDIMBVYQN-UHFFFAOYSA-N -1 3 306.334 2.776 20 0 DFADHM O=c1cc(-c2noc(-c3ccc(OCC4CC4)cc3)n2)nc[n-]1 ZINC000351368649 398632767 /nfs/dbraw/zinc/63/27/67/398632767.db2.gz KHOLHUUVAPHKNB-UHFFFAOYSA-N -1 3 310.313 2.688 20 0 DFADHM O=c1cc(-c2noc(-c3cccc([C@@H]4CCCOC4)c3)n2)nc[n-]1 ZINC000351369211 398633147 /nfs/dbraw/zinc/63/31/47/398633147.db2.gz LDLFSPOMKZSZPE-CYBMUJFWSA-N -1 3 324.340 2.793 20 0 DFADHM CSc1ccc([O-])c(C(=O)N(C)[C@H](C)C(=O)OC(C)C)c1 ZINC000597378291 398631240 /nfs/dbraw/zinc/63/12/40/398631240.db2.gz PZQUUTNESCSXLX-SNVBAGLBSA-N -1 3 311.403 2.526 20 0 DFADHM CC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccncc1 ZINC000164057823 186147298 /nfs/dbraw/zinc/14/72/98/186147298.db2.gz YIIMERYOYVJFHB-CYBMUJFWSA-N -1 3 316.357 2.686 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000155876702 186119933 /nfs/dbraw/zinc/11/99/33/186119933.db2.gz XYBNRJRZPOBRSC-RYUDHWBXSA-N -1 3 302.296 2.998 20 0 DFADHM CCCCCc1nnc([N-]C(=O)c2cncnc2CC)s1 ZINC000044285347 398639320 /nfs/dbraw/zinc/63/93/20/398639320.db2.gz MGIZTJWFCMOMLE-UHFFFAOYSA-N -1 3 305.407 2.876 20 0 DFADHM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(O)cc1[O-] ZINC000171467935 186164238 /nfs/dbraw/zinc/16/42/38/186164238.db2.gz RYYNVMCXXOGJDS-IRXDYDNUSA-N -1 3 313.353 2.748 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2C)s1 ZINC000175627714 186182145 /nfs/dbraw/zinc/18/21/45/186182145.db2.gz OUKVKPKGFVFHTR-JTQLQIEISA-N -1 3 314.407 2.939 20 0 DFADHM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)noc1C ZINC000590610563 398639778 /nfs/dbraw/zinc/63/97/78/398639778.db2.gz YTPCYZSLWSHGKZ-STQMWFEESA-N -1 3 300.424 2.929 20 0 DFADHM Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000179730661 186211712 /nfs/dbraw/zinc/21/17/12/186211712.db2.gz NASMMTPJVLHRSM-CYBMUJFWSA-N -1 3 319.792 2.855 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)Cc2ccco2)c([O-])c1 ZINC000597442778 398641802 /nfs/dbraw/zinc/64/18/02/398641802.db2.gz ZPPFASGPFLAFIJ-NSHDSACASA-N -1 3 317.341 2.979 20 0 DFADHM COC(=O)C1(C(=O)Nc2cc(F)ccc2[O-])CC2(CCC2)C1 ZINC000597443884 398642225 /nfs/dbraw/zinc/64/22/25/398642225.db2.gz ZKXYFPAUHKQQOD-UHFFFAOYSA-N -1 3 307.321 2.593 20 0 DFADHM CC[C@H](CC(=O)[N-]OC[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000188012627 186243392 /nfs/dbraw/zinc/24/33/92/186243392.db2.gz JXMNZCKVODYWKA-UONOGXRCSA-N -1 3 307.390 2.663 20 0 DFADHM CC[C@H](SC)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000269586127 186391931 /nfs/dbraw/zinc/39/19/31/186391931.db2.gz GVESZWXTALFUIR-VIFPVBQESA-N -1 3 312.345 2.830 20 0 DFADHM CC[C@H](SC)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000269586127 186391932 /nfs/dbraw/zinc/39/19/32/186391932.db2.gz GVESZWXTALFUIR-VIFPVBQESA-N -1 3 312.345 2.830 20 0 DFADHM CC[C@H](SC)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000269586127 186391934 /nfs/dbraw/zinc/39/19/34/186391934.db2.gz GVESZWXTALFUIR-VIFPVBQESA-N -1 3 312.345 2.830 20 0 DFADHM CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000271228474 186405391 /nfs/dbraw/zinc/40/53/91/186405391.db2.gz FEAFSOCGMSJISX-CQSZACIVSA-N -1 3 305.374 2.567 20 0 DFADHM COc1ccc([C@@H](CO)CNCc2cccc([O-])c2Cl)cc1 ZINC000459733280 299175917 /nfs/dbraw/zinc/17/59/17/299175917.db2.gz FCMOXZUMIGDYPR-CQSZACIVSA-N -1 3 321.804 2.920 20 0 DFADHM COC(=O)NCc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000117169033 282745727 /nfs/dbraw/zinc/74/57/27/282745727.db2.gz QVXGPWXJWCNTLH-UHFFFAOYSA-N -1 3 314.341 2.809 20 0 DFADHM CSCCO[N-]C(=O)/C=C/c1ccc(Br)s1 ZINC000280053281 215341839 /nfs/dbraw/zinc/34/18/39/215341839.db2.gz QBHBBYVRSSQYHY-HWKANZROSA-N -1 3 322.249 2.935 20 0 DFADHM C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000280067071 215351927 /nfs/dbraw/zinc/35/19/27/215351927.db2.gz INOJGPQYWMWQEB-BDAKNGLRSA-N -1 3 303.280 2.566 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC000096590445 398660390 /nfs/dbraw/zinc/66/03/90/398660390.db2.gz GOJNBJXAHCHWKU-OAHLLOKOSA-N -1 3 324.380 2.688 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)c2cccc(C(C)C)c2)[n-]1 ZINC000597563711 398661141 /nfs/dbraw/zinc/66/11/41/398661141.db2.gz VRTXMCMCKSKPOV-UHFFFAOYSA-N -1 3 301.346 2.962 20 0 DFADHM CCOC(=O)c1nc(NC(=O)c2cccc(C(C)C)c2)c[n-]1 ZINC000597563711 398661145 /nfs/dbraw/zinc/66/11/45/398661145.db2.gz VRTXMCMCKSKPOV-UHFFFAOYSA-N -1 3 301.346 2.962 20 0 DFADHM CC(C)OCc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000172367354 198086560 /nfs/dbraw/zinc/08/65/60/198086560.db2.gz PTUPGGDIXSSCBS-OAHLLOKOSA-N -1 3 313.419 2.532 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000387888823 398667535 /nfs/dbraw/zinc/66/75/35/398667535.db2.gz QXBWZTGYUWPVKG-GVDBMIGSSA-N -1 3 303.402 2.938 20 0 DFADHM Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1ccc(Cl)cc1[O-] ZINC000331759998 234090647 /nfs/dbraw/zinc/09/06/47/234090647.db2.gz ATBLXJHYPJJQLK-SNVBAGLBSA-N -1 3 305.765 2.838 20 0 DFADHM COc1ccc(C(=O)Nc2ccc(C)cc2[O-])c(OC)c1OC ZINC000045616988 398678653 /nfs/dbraw/zinc/67/86/53/398678653.db2.gz MRUPJZZSLDKXQI-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM COc1ccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1O ZINC000277154536 213332332 /nfs/dbraw/zinc/33/23/32/213332332.db2.gz CVIWGXOOMKNUNN-PXAZEXFGSA-N -1 3 315.369 2.952 20 0 DFADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc([O-])ccc1F ZINC000331900501 234251942 /nfs/dbraw/zinc/25/19/42/234251942.db2.gz YSIRUMCHQLSACK-HNNXBMFYSA-N -1 3 317.364 2.859 20 0 DFADHM O=C(CCCn1ccnc1)Nc1ccc(Br)cc1[O-] ZINC000104254289 398686573 /nfs/dbraw/zinc/68/65/73/398686573.db2.gz DTMMJBJBPVMBNF-UHFFFAOYSA-N -1 3 324.178 2.770 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CCNC(=O)CC(C)C)c1[O-] ZINC000173648014 198235288 /nfs/dbraw/zinc/23/52/88/198235288.db2.gz BCAFYOBEXUKKKF-UHFFFAOYSA-N -1 3 312.797 2.845 20 0 DFADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104897454 398689930 /nfs/dbraw/zinc/68/99/30/398689930.db2.gz MIDLLGXPINERGC-XHDPSFHLSA-N -1 3 314.385 2.659 20 0 DFADHM COC(=O)[C@@]1(C)CCCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000597779934 398694289 /nfs/dbraw/zinc/69/42/89/398694289.db2.gz VGXMIQFPLYURTA-INIZCTEOSA-N -1 3 323.414 2.529 20 0 DFADHM Cc1c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000405488114 398694649 /nfs/dbraw/zinc/69/46/49/398694649.db2.gz MWYCNUVMSDQRAG-CYBMUJFWSA-N -1 3 304.346 2.590 20 0 DFADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000073631110 398692283 /nfs/dbraw/zinc/69/22/83/398692283.db2.gz FKVMFXPCWVFCAX-UHFFFAOYSA-N -1 3 313.325 2.912 20 0 DFADHM CCC(CC)c1cc(CNC(=O)c2ccc3n[n-]nc3c2)on1 ZINC000174040630 198284022 /nfs/dbraw/zinc/28/40/22/198284022.db2.gz DZKZFAAVNNQTHY-UHFFFAOYSA-N -1 3 313.361 2.780 20 0 DFADHM Cc1ccc(SCCNC(=O)c2c([O-])cccc2O)cc1 ZINC000125671763 282885970 /nfs/dbraw/zinc/88/59/70/282885970.db2.gz XWJRSBBKDOQFOF-UHFFFAOYSA-N -1 3 303.383 2.928 20 0 DFADHM C[C@H]1C[C@H](CCN2CCC[C@H]2c2nc(=N)n(C)[n-]2)C[C@@H](C)C1 ZINC000428189711 398702799 /nfs/dbraw/zinc/70/27/99/398702799.db2.gz MNMWMBIMKGQXSR-YJNKXOJESA-N -1 3 305.470 2.827 20 0 DFADHM CC(C)n1[n-]cc/c1=N\C(=O)NC[C@@H](C)Cc1cccs1 ZINC000174574748 198354459 /nfs/dbraw/zinc/35/44/59/198354459.db2.gz KGQAEKQJZUZRCB-LBBLGXEFSA-N -1 3 306.435 2.948 20 0 DFADHM Cc1cc([C@@](C)(O)CNC(=O)c2cccc(C)c2[O-])c(C)o1 ZINC000174648320 198364708 /nfs/dbraw/zinc/36/47/08/198364708.db2.gz UTXSLRZZMCGUOV-KRWDZBQOSA-N -1 3 303.358 2.548 20 0 DFADHM CCCC(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000174877729 198395625 /nfs/dbraw/zinc/39/56/25/198395625.db2.gz DFQCUYIEZUPLNR-NSHDSACASA-N -1 3 308.353 2.509 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C1CC(C(C)(C)C)C1 ZINC000590983416 398711494 /nfs/dbraw/zinc/71/14/94/398711494.db2.gz USHKMOQGAYYRLH-UHFFFAOYSA-N -1 3 307.394 2.906 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C1CC(C(C)(C)C)C1 ZINC000590983416 398711498 /nfs/dbraw/zinc/71/14/98/398711498.db2.gz USHKMOQGAYYRLH-UHFFFAOYSA-N -1 3 307.394 2.906 20 0 DFADHM 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301.383 2.520 20 0 DFADHM COc1ccc(CN[C@H](C)[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000417600336 296034233 /nfs/dbraw/zinc/03/42/33/296034233.db2.gz FYAZTGVVNJHZDS-RKDXNWHRSA-N -1 3 316.195 2.657 20 0 DFADHM CCOC[C@H](NCc1ccc(C(F)(F)F)cc1C)C(=O)[O-] ZINC000417612688 296035504 /nfs/dbraw/zinc/03/55/04/296035504.db2.gz XUKNSRRXQNUZTK-LBPRGKRZSA-N -1 3 305.296 2.593 20 0 DFADHM CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)c1cccc([O-])c1 ZINC000600149830 398971107 /nfs/dbraw/zinc/97/11/07/398971107.db2.gz ZWJIORAEXIBCLM-QGZVFWFLSA-N -1 3 305.374 2.729 20 0 DFADHM COc1cc(C)nc(CN[C@@H](CSCC=C(C)C)C(=O)[O-])c1 ZINC000417603755 296034795 /nfs/dbraw/zinc/03/47/95/296034795.db2.gz AGMWEEPXXWDABN-HNNXBMFYSA-N -1 3 324.446 2.641 20 0 DFADHM COC(=O)c1cc(Cl)ccc1NC([O-])=NOCCSC ZINC000281446443 216304647 /nfs/dbraw/zinc/30/46/47/216304647.db2.gz QRPTUQKHGZPJOL-UHFFFAOYSA-N -1 3 318.782 2.543 20 0 DFADHM COC(=O)c1cc(Cl)ccc1NC(=O)[N-]OCCSC ZINC000281446443 216304650 /nfs/dbraw/zinc/30/46/50/216304650.db2.gz QRPTUQKHGZPJOL-UHFFFAOYSA-N -1 3 318.782 2.543 20 0 DFADHM CCCCOc1ccc(CN[C@@H]2C=C[C@H](C(=O)[O-])C2)cc1OC ZINC000417621938 296036228 /nfs/dbraw/zinc/03/62/28/296036228.db2.gz NQPJERDLNBOPQJ-LSDHHAIUSA-N -1 3 319.401 2.993 20 0 DFADHM C[C@@H](CNCc1cc(F)ccc1Br)CC(=O)[O-] ZINC000417616282 296036039 /nfs/dbraw/zinc/03/60/39/296036039.db2.gz HBRCCMASPORSCO-MRVPVSSYSA-N -1 3 304.159 2.789 20 0 DFADHM COc1ccc(-c2ccccc2)cc1CNC[C@@H](OC)C(=O)[O-] ZINC000417636055 296037356 /nfs/dbraw/zinc/03/73/56/296037356.db2.gz XBYNHCVILHQMDB-QGZVFWFLSA-N -1 3 315.369 2.551 20 0 DFADHM C[C@@H](CNCc1c(F)cccc1OC(F)(F)F)CC(=O)[O-] ZINC000417626459 296036744 /nfs/dbraw/zinc/03/67/44/296036744.db2.gz SPJIROFKTWTSJK-MRVPVSSYSA-N -1 3 309.259 2.925 20 0 DFADHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000193496293 201062454 /nfs/dbraw/zinc/06/24/54/201062454.db2.gz MOGMJRLJMZOTML-CYBMUJFWSA-N -1 3 324.384 2.772 20 0 DFADHM C[C@]1(CNC(=O)c2cc([O-])ccc2C(F)(F)F)CCCO1 ZINC000193491895 201063472 /nfs/dbraw/zinc/06/34/72/201063472.db2.gz FMRZLCSJCBWATM-CYBMUJFWSA-N -1 3 303.280 2.710 20 0 DFADHM COC[C@@H](NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000417635355 296037203 /nfs/dbraw/zinc/03/72/03/296037203.db2.gz WMXOIHPDYGQNAC-SNVBAGLBSA-N -1 3 311.687 2.548 20 0 DFADHM C[C@@H]1CN(c2ccc(NC(=O)[N-]OCC3CC3)cc2)C[C@@H](C)O1 ZINC000292860050 223279131 /nfs/dbraw/zinc/27/91/31/223279131.db2.gz GSTVSWDKYIFPNV-CHWSQXEVSA-N -1 3 319.405 2.763 20 0 DFADHM CC[C@H](CCNCc1cc(OC)cc2c1O[C@H](C)C2)C(=O)[O-] ZINC000417666856 296039643 /nfs/dbraw/zinc/03/96/43/296039643.db2.gz GSZWXMFNSCABRQ-VXGBXAGGSA-N -1 3 307.390 2.609 20 0 DFADHM CC[C@@H](CCNCc1cc(OC)ccc1OC(F)F)C(=O)[O-] ZINC000417667159 296039779 /nfs/dbraw/zinc/03/97/79/296039779.db2.gz HRSQWBXTSQTCHH-JTQLQIEISA-N -1 3 317.332 2.887 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)c([O-])c1 ZINC000194082766 201175736 /nfs/dbraw/zinc/17/57/36/201175736.db2.gz WBBWFHCZCLYJAP-NSHDSACASA-N -1 3 316.323 2.913 20 0 DFADHM CO[C@@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC[C@@H]1C ZINC000194166385 201189475 /nfs/dbraw/zinc/18/94/75/201189475.db2.gz CXZLPAFEQIADQB-TVQRCGJNSA-N -1 3 317.307 2.908 20 0 DFADHM O=C(Cc1cccc(Cl)c1Cl)[N-]OC[C@H]1CCOC1 ZINC000194451049 201230414 /nfs/dbraw/zinc/23/04/14/201230414.db2.gz WRNJYVQQYQIWKT-VIFPVBQESA-N -1 3 304.173 2.620 20 0 DFADHM CC(C)(COc1ncc(Cl)cc1Cl)[N-]C(=O)C(F)F ZINC000194785461 201288810 /nfs/dbraw/zinc/28/88/10/201288810.db2.gz FAITWUIAMILIEI-UHFFFAOYSA-N -1 3 313.131 2.927 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)c1ncccc1Br ZINC000194907056 201309670 /nfs/dbraw/zinc/30/96/70/201309670.db2.gz ZDIIPWWYMAQKCM-UHFFFAOYSA-N -1 3 311.110 2.941 20 0 DFADHM CC(C)CCOC1CCN(C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000621621851 398998078 /nfs/dbraw/zinc/99/80/78/398998078.db2.gz LWNYROGJCHAASY-UHFFFAOYSA-N -1 3 310.369 2.594 20 0 DFADHM Brc1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1 ZINC000605075592 399000210 /nfs/dbraw/zinc/00/02/10/399000210.db2.gz GWPILTWMQIAPRI-UHFFFAOYSA-N -1 3 322.210 2.521 20 0 DFADHM Brc1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1 ZINC000605075592 399000212 /nfs/dbraw/zinc/00/02/12/399000212.db2.gz GWPILTWMQIAPRI-UHFFFAOYSA-N -1 3 322.210 2.521 20 0 DFADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)c([O-])c1 ZINC000618098454 399002108 /nfs/dbraw/zinc/00/21/08/399002108.db2.gz JWUVWYPMHAIGSH-CHWSQXEVSA-N -1 3 319.401 2.868 20 0 DFADHM C[C@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])[C@H](N)c1ccccc1 ZINC000417805777 296053000 /nfs/dbraw/zinc/05/30/00/296053000.db2.gz FBPUIGAPOJEZKE-CFVMTHIKSA-N -1 3 320.433 2.718 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CCOCC3(CCC3)C2)c1 ZINC000613506276 399005534 /nfs/dbraw/zinc/00/55/34/399005534.db2.gz OELJOEURJXYDJY-UHFFFAOYSA-N -1 3 307.415 2.757 20 0 DFADHM Cc1c(C(=O)[N-]c2nc(C(C)(C)C)ns2)nnn1C(C)C ZINC000292939504 223318154 /nfs/dbraw/zinc/31/81/54/223318154.db2.gz DEGMBAHGBIDIKY-UHFFFAOYSA-N -1 3 308.411 2.569 20 0 DFADHM Cc1ccc(C(=O)NC2CC2)cc1NC([O-])=NOC1CCCC1 ZINC000271818060 209242919 /nfs/dbraw/zinc/24/29/19/209242919.db2.gz 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/nfs/dbraw/zinc/03/06/02/399030602.db2.gz JRRNYSVBJHHHDW-CQSZACIVSA-N -1 3 300.358 2.552 20 0 DFADHM COC(=O)c1ccc(CN(C)Cc2nc(C)ccc2[O-])cc1 ZINC000091829336 193113525 /nfs/dbraw/zinc/11/35/25/193113525.db2.gz SUOIRRXPJVPXCA-UHFFFAOYSA-N -1 3 300.358 2.514 20 0 DFADHM CC(C)CCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477291368 299359862 /nfs/dbraw/zinc/35/98/62/299359862.db2.gz MEYQZZGIYVBOSA-UHFFFAOYSA-N -1 3 300.196 2.860 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCC(OC2CCCC2)CC1 ZINC000255587154 283892365 /nfs/dbraw/zinc/89/23/65/283892365.db2.gz AHLMYFUMQYWSJY-WAYWQWQTSA-N -1 3 316.401 2.751 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)NC2CCCCCC2)c([O-])c1 ZINC000171396979 399049128 /nfs/dbraw/zinc/04/91/28/399049128.db2.gz SPVZFKOYDRUYDL-UHFFFAOYSA-N -1 3 318.417 2.660 20 0 DFADHM O=C(Nc1ncccc1OC(F)F)c1cc(-c2ccco2)[n-]n1 ZINC000057695933 399054871 /nfs/dbraw/zinc/05/48/71/399054871.db2.gz LPRUVFRYMJWDPN-UHFFFAOYSA-N -1 3 320.255 2.918 20 0 DFADHM O=C(Nc1ncccc1OC(F)F)c1cc(-c2ccco2)n[n-]1 ZINC000057695933 399054873 /nfs/dbraw/zinc/05/48/73/399054873.db2.gz LPRUVFRYMJWDPN-UHFFFAOYSA-N -1 3 320.255 2.918 20 0 DFADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000606319071 399054537 /nfs/dbraw/zinc/05/45/37/399054537.db2.gz ZQHCBWLRZABXFM-JTQLQIEISA-N -1 3 301.317 2.996 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)/C=C\C(C)(C)C)c1 ZINC000255870277 283911014 /nfs/dbraw/zinc/91/10/14/283911014.db2.gz CVFYUHOJUVDSBA-HJWRWDBZSA-N -1 3 310.419 2.907 20 0 DFADHM COc1ccc(Cl)cc1/C=C\C(=O)[N-]O[C@H]1CCCCO1 ZINC000255863343 283910188 /nfs/dbraw/zinc/91/01/88/283910188.db2.gz MXDNBSCPZPBTOQ-KKTNHOPESA-N -1 3 311.765 2.936 20 0 DFADHM C[S@](=O)c1ccc(NC([O-])=NOC2CCCC2)cc1F ZINC000271793277 209219714 /nfs/dbraw/zinc/21/97/14/209219714.db2.gz INUFEMNTPLABNQ-FQEVSTJZSA-N -1 3 300.355 2.559 20 0 DFADHM C[S@](=O)c1ccc(NC(=O)[N-]OC2CCCC2)cc1F ZINC000271793277 209219718 /nfs/dbraw/zinc/21/97/18/209219718.db2.gz INUFEMNTPLABNQ-FQEVSTJZSA-N -1 3 300.355 2.559 20 0 DFADHM CCN(CC)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 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CSXAZTDHVBMXCS-UHFFFAOYSA-N -1 3 319.401 2.990 20 0 DFADHM CC[C@H]1COCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621902249 399115427 /nfs/dbraw/zinc/11/54/27/399115427.db2.gz AIRLTBCMJFXMTD-NSHDSACASA-N -1 3 303.280 2.662 20 0 DFADHM O=C(c1cc(F)c[n-]c1=O)N1CC(Cc2ccccc2Cl)C1 ZINC000621907239 399117843 /nfs/dbraw/zinc/11/78/43/399117843.db2.gz KTUNSSOZFKWITC-UHFFFAOYSA-N -1 3 320.751 2.894 20 0 DFADHM COc1ccccc1C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000340105569 284151405 /nfs/dbraw/zinc/15/14/05/284151405.db2.gz RYRQPCBBEZGIFS-UHFFFAOYSA-N -1 3 324.340 2.741 20 0 DFADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@]2(CCOC2)C1 ZINC000621909365 399118944 /nfs/dbraw/zinc/11/89/44/399118944.db2.gz CQVJMOWWJMCEOF-CQSZACIVSA-N -1 3 315.291 2.664 20 0 DFADHM CS[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000599979858 399119291 /nfs/dbraw/zinc/11/92/91/399119291.db2.gz XCYFUXVAALPJGQ-NSHDSACASA-N -1 3 316.220 2.732 20 0 DFADHM CC[C@@H](C)NC(=O)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419599504 296146033 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O=S(=O)([N-][C@@H]1CCC[C@@H](O)C1)c1cccc(Cl)c1Cl ZINC000615259373 399318970 /nfs/dbraw/zinc/31/89/70/399318970.db2.gz AZMXCFBNKFOCIZ-RKDXNWHRSA-N -1 3 324.229 2.575 20 0 DFADHM CCOc1nc2cc(C(=O)N3CCC(SC)CC3)ccc2[n-]1 ZINC000601691478 399321961 /nfs/dbraw/zinc/32/19/61/399321961.db2.gz LXDBTVXTVRQWQU-UHFFFAOYSA-N -1 3 319.430 2.929 20 0 DFADHM CCOc1nc2ccc(C(=O)N3CCC(SC)CC3)cc2[n-]1 ZINC000601691478 399321964 /nfs/dbraw/zinc/32/19/64/399321964.db2.gz LXDBTVXTVRQWQU-UHFFFAOYSA-N -1 3 319.430 2.929 20 0 DFADHM C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)c1cc([O-])ccc1Cl ZINC000619261445 399322225 /nfs/dbraw/zinc/32/22/25/399322225.db2.gz JNHAIAJAUACPIJ-HQJQHLMTSA-N -1 3 323.698 2.837 20 0 DFADHM CSC1CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)CC1 ZINC000601695814 399323443 /nfs/dbraw/zinc/32/34/43/399323443.db2.gz SLGVXAHEFMOLNY-UHFFFAOYSA-N -1 3 316.426 2.804 20 0 DFADHM CCc1cccc(C(=O)N2CCO[C@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000619267796 399323465 /nfs/dbraw/zinc/32/34/65/399323465.db2.gz 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ZINC000619447615 399348751 /nfs/dbraw/zinc/34/87/51/399348751.db2.gz HYNSCQJLUAGNGL-UHFFFAOYSA-N -1 3 309.272 2.776 20 0 DFADHM CCOC(=O)c1nc(NC(=O)c2cccc(C(F)F)c2)c[n-]1 ZINC000619447615 399348753 /nfs/dbraw/zinc/34/87/53/399348753.db2.gz HYNSCQJLUAGNGL-UHFFFAOYSA-N -1 3 309.272 2.776 20 0 DFADHM O=c1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)c2ccc([O-])cc2o1 ZINC000284750698 218161631 /nfs/dbraw/zinc/16/16/31/218161631.db2.gz LLVSKGXMQODCIZ-CVEARBPZSA-N -1 3 315.369 2.642 20 0 DFADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(C)C)cc2)n1 ZINC000284809744 218187734 /nfs/dbraw/zinc/18/77/34/218187734.db2.gz ZLVDEDMCSGZULG-UHFFFAOYSA-N -1 3 323.418 2.715 20 0 DFADHM COC(=O)c1cc(COc2ccc3c([O-])coc3c2C)cs1 ZINC000601924811 399358587 /nfs/dbraw/zinc/35/85/87/399358587.db2.gz FPANQNPKXXNQIA-UHFFFAOYSA-N -1 3 318.350 2.997 20 0 DFADHM [O-]c1ccc(Cl)cc1-c1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000273871517 211129675 /nfs/dbraw/zinc/12/96/75/211129675.db2.gz DVOYJYCJRLFTJH-GWCFXTLKSA-N -1 3 321.764 2.631 20 0 DFADHM 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JDQDLKBOMUTOCH-ZDUSSCGKSA-N -1 3 321.417 2.830 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)c([O-])c1 ZINC000623416203 399384187 /nfs/dbraw/zinc/38/41/87/399384187.db2.gz NFXDYBQAOPDDQX-OAHLLOKOSA-N -1 3 324.380 2.801 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2cnc(-c3ccccn3)s2)n1 ZINC000345932448 284798115 /nfs/dbraw/zinc/79/81/15/284798115.db2.gz GZRVXZWIZRDICA-UHFFFAOYSA-N -1 3 312.354 2.866 20 0 DFADHM O=C(NCC1(CCO)CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000268549270 206793988 /nfs/dbraw/zinc/79/39/88/206793988.db2.gz COIPESAHMIIBOC-UHFFFAOYSA-N -1 3 314.385 2.613 20 0 DFADHM Cc1ccn(-c2ccc(C(=O)Nc3nc(C)ccc3[O-])cc2)n1 ZINC000345947994 284802915 /nfs/dbraw/zinc/80/29/15/284802915.db2.gz VUWQQFNBWLGBJJ-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM CCc1ncncc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000615840901 399388764 /nfs/dbraw/zinc/38/87/64/399388764.db2.gz BEMQIQSNLPHCTC-UHFFFAOYSA-N -1 3 322.162 2.759 20 0 DFADHM CCCOc1ccc(OCC(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345979106 284811981 /nfs/dbraw/zinc/81/19/81/284811981.db2.gz ISKXBQDGJLMVSW-UHFFFAOYSA-N -1 3 316.357 2.902 20 0 DFADHM CCC(CC)N1C[C@@H](C(=O)Nc2ccc(C)cc2[O-])CC1=O ZINC000109350670 194258993 /nfs/dbraw/zinc/25/89/93/194258993.db2.gz JXTDKECNXYGRDD-LBPRGKRZSA-N -1 3 304.390 2.676 20 0 DFADHM Cc1cc(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)[n-]c(=O)n1 ZINC000355003361 291748621 /nfs/dbraw/zinc/74/86/21/291748621.db2.gz SHYWPUZUMWAABW-QWRGUYRKSA-N -1 3 315.348 2.778 20 0 DFADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nc2ccc(Cl)cn2n1 ZINC000273570081 210879083 /nfs/dbraw/zinc/87/90/83/210879083.db2.gz GHKBIHGJPBACQS-UHFFFAOYSA-N -1 3 317.736 2.809 20 0 DFADHM CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000109867582 194295002 /nfs/dbraw/zinc/29/50/02/194295002.db2.gz YPRPTXXSHLXGOR-ZDUSSCGKSA-N -1 3 314.389 2.584 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1Cl ZINC000110095917 194310482 /nfs/dbraw/zinc/31/04/82/194310482.db2.gz WVBJSBNLMKJMRE-GFCCVEGCSA-N -1 3 303.811 2.959 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2cccc(C(=O)OC)c2N)c1 ZINC000619812806 399393732 /nfs/dbraw/zinc/39/37/32/399393732.db2.gz UAXQQGLRRACJPK-UHFFFAOYSA-N -1 3 314.341 2.576 20 0 DFADHM Cc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)[n-]c(=O)n1 ZINC000268842051 207007561 /nfs/dbraw/zinc/00/75/61/207007561.db2.gz MSAHHGWIVWJWJU-YPMHNXCESA-N -1 3 315.348 2.648 20 0 DFADHM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000110313827 194321854 /nfs/dbraw/zinc/32/18/54/194321854.db2.gz FPOZTKLVXSTQLN-YVEFUNNKSA-N -1 3 313.353 2.700 20 0 DFADHM C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccccc1[O-] ZINC000110506840 194335367 /nfs/dbraw/zinc/33/53/67/194335367.db2.gz GKZGURIOKSMSEB-OAHLLOKOSA-N -1 3 310.397 2.739 20 0 DFADHM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1snnc1C ZINC000110777264 194358557 /nfs/dbraw/zinc/35/85/57/194358557.db2.gz ZYULFUVNCNVUSO-UHFFFAOYSA-N -1 3 311.388 2.645 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCCOc2cccc(F)c2)c1 ZINC000623481972 399399109 /nfs/dbraw/zinc/39/91/09/399399109.db2.gz HXWGIHFVJPWRCC-UHFFFAOYSA-N -1 3 303.333 2.903 20 0 DFADHM CN1CCN(C(=O)c2cc(-c3ccco3)[n-]n2)c2ccccc21 ZINC000111071081 194388712 /nfs/dbraw/zinc/38/87/12/194388712.db2.gz JHXORDRAZOJTIF-UHFFFAOYSA-N -1 3 308.341 2.766 20 0 DFADHM CN1CCN(C(=O)c2cc(-c3ccco3)n[n-]2)c2ccccc21 ZINC000111071081 194388714 /nfs/dbraw/zinc/38/87/14/194388714.db2.gz JHXORDRAZOJTIF-UHFFFAOYSA-N -1 3 308.341 2.766 20 0 DFADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000623493688 399400994 /nfs/dbraw/zinc/40/09/94/399400994.db2.gz OJFZYPYPFSRBAP-LBPRGKRZSA-N -1 3 313.353 2.963 20 0 DFADHM Cc1cc(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)[n-]c(=O)n1 ZINC000268928999 207094653 /nfs/dbraw/zinc/09/46/53/207094653.db2.gz XMRGTKZLSDKNPA-BONVTDFDSA-N -1 3 315.348 2.853 20 0 DFADHM CCCCS[C@@H](C)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000602193811 399408120 /nfs/dbraw/zinc/40/81/20/399408120.db2.gz HYWPJUGLJNNWGO-NSHDSACASA-N -1 3 323.462 2.988 20 0 DFADHM CCOC1(C(=O)NCc2ccc([O-])c3ncccc23)CCC1 ZINC000616021134 399412608 /nfs/dbraw/zinc/41/26/08/399412608.db2.gz VVXNKYOOCSYDQW-UHFFFAOYSA-N -1 3 300.358 2.516 20 0 DFADHM CO[C@@H]1CCC[C@H](C(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616023256 399412925 /nfs/dbraw/zinc/41/29/25/399412925.db2.gz QZKBUIMINUHFPM-GXTWGEPZSA-N -1 3 314.385 2.762 20 0 DFADHM Cc1nc(C)c(CCC(=O)N[C@H](C)CCCC(C)C)c(=O)[n-]1 ZINC000057796573 184052930 /nfs/dbraw/zinc/05/29/30/184052930.db2.gz LSKSOVVOSHIIOE-GFCCVEGCSA-N -1 3 307.438 2.650 20 0 DFADHM NC(=O)[N-]C(=O)OCCCSc1ccc(F)c(Cl)c1 ZINC000157486235 197191377 /nfs/dbraw/zinc/19/13/77/197191377.db2.gz AOQQCAFTAIZIGW-UHFFFAOYSA-N -1 3 306.746 2.766 20 0 DFADHM Cc1ccc(NC(=O)c2cn(C)nc2-c2ccncc2)c([O-])c1 ZINC000619982566 399420100 /nfs/dbraw/zinc/42/01/00/399420100.db2.gz DXDLJEROGIASEJ-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000273468665 299529420 /nfs/dbraw/zinc/52/94/20/299529420.db2.gz HUEGCOXSVDHSCM-LRDDRELGSA-N -1 3 303.402 2.647 20 0 DFADHM 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Cc1csc(C2([N-]S(=O)(=O)CCC(C)(F)F)CCC2)n1 ZINC000632048223 399552589 /nfs/dbraw/zinc/55/25/89/399552589.db2.gz DCARHYHSXMFVCJ-UHFFFAOYSA-N -1 3 324.418 2.795 20 0 DFADHM Cc1cccc(NC(=O)[N-]OCC(C)C)c1C(=O)N1CCCC1 ZINC000158928357 197312243 /nfs/dbraw/zinc/31/22/43/197312243.db2.gz OPZYIFINHPSLQA-UHFFFAOYSA-N -1 3 319.405 2.940 20 0 DFADHM CC(C)CO[N-]C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000158860355 197307055 /nfs/dbraw/zinc/30/70/55/197307055.db2.gz SMQIEQAOGAIDNQ-HNNXBMFYSA-N -1 3 308.378 2.954 20 0 DFADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccncc2)c1 ZINC000612006175 399557015 /nfs/dbraw/zinc/55/70/15/399557015.db2.gz BXPXLNNLRIRFMW-NSHDSACASA-N -1 3 302.399 2.870 20 0 DFADHM CC(C)CO[N-]C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000158725248 197297459 /nfs/dbraw/zinc/29/74/59/197297459.db2.gz MPFZJKQMGFOJIA-UHFFFAOYSA-N -1 3 305.378 2.632 20 0 DFADHM CCC(F)(F)C[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000625454332 399559926 /nfs/dbraw/zinc/55/99/26/399559926.db2.gz WVDLPHJHSIEIEY-UHFFFAOYSA-N -1 3 306.359 2.620 20 0 DFADHM CCO[C@@H](CS(=O)(=O)[N-]c1ccccc1Cl)C1CC1 ZINC000629283103 399561637 /nfs/dbraw/zinc/56/16/37/399561637.db2.gz OLCOMTXAWPXIIV-ZDUSSCGKSA-N -1 3 303.811 2.897 20 0 DFADHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccccc1 ZINC000629281421 399562462 /nfs/dbraw/zinc/56/24/62/399562462.db2.gz BFQUMRFKGVCLKT-INIZCTEOSA-N -1 3 323.389 2.825 20 0 DFADHM CSc1nnc(NC(=O)CCSc2ccc(F)cc2)[n-]1 ZINC000299515432 533087959 /nfs/dbraw/zinc/08/79/59/533087959.db2.gz KLWOZWLCNLYNIZ-UHFFFAOYSA-N -1 3 312.395 2.787 20 0 DFADHM CSc1n[n-]c(NC(=O)CCSc2ccc(F)cc2)n1 ZINC000299515432 533087962 /nfs/dbraw/zinc/08/79/62/533087962.db2.gz KLWOZWLCNLYNIZ-UHFFFAOYSA-N -1 3 312.395 2.787 20 0 DFADHM CSc1nc(NC(=O)CCSc2ccc(F)cc2)n[n-]1 ZINC000299515432 533087965 /nfs/dbraw/zinc/08/79/65/533087965.db2.gz KLWOZWLCNLYNIZ-UHFFFAOYSA-N -1 3 312.395 2.787 20 0 DFADHM CSc1nnc(NC(=O)[C@@H](C)SCc2ccccc2)[n-]1 ZINC000299474992 533088191 /nfs/dbraw/zinc/08/81/91/533088191.db2.gz BHEBJCFZIQPLAH-SECBINFHSA-N -1 3 308.432 2.787 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H](C)SCc2ccccc2)n1 ZINC000299474992 533088195 /nfs/dbraw/zinc/08/81/95/533088195.db2.gz BHEBJCFZIQPLAH-SECBINFHSA-N -1 3 308.432 2.787 20 0 DFADHM CSc1nc(NC(=O)[C@@H](C)SCc2ccccc2)n[n-]1 ZINC000299474992 533088199 /nfs/dbraw/zinc/08/81/99/533088199.db2.gz BHEBJCFZIQPLAH-SECBINFHSA-N -1 3 308.432 2.787 20 0 DFADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1c(F)cccc1Cl ZINC000629293088 399564697 /nfs/dbraw/zinc/56/46/97/399564697.db2.gz FVDSIHDNDUFUFO-SECBINFHSA-N -1 3 307.774 2.790 20 0 DFADHM COc1ccc(Cl)c(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000158475789 197276171 /nfs/dbraw/zinc/27/61/71/197276171.db2.gz DNLAMICCHXRJIC-GFCCVEGCSA-N -1 3 300.742 2.928 20 0 DFADHM COc1ccc(Cl)c(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000158475789 197276173 /nfs/dbraw/zinc/27/61/73/197276173.db2.gz DNLAMICCHXRJIC-GFCCVEGCSA-N -1 3 300.742 2.928 20 0 DFADHM COc1cccc(C(=O)N(C)[C@H](CCO)c2ccccc2)c1[O-] ZINC000158510669 197279729 /nfs/dbraw/zinc/27/97/29/197279729.db2.gz BLUBATNXQZAPMY-OAHLLOKOSA-N -1 3 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COc1cnc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)cn1 ZINC000632158174 399586997 /nfs/dbraw/zinc/58/69/97/399586997.db2.gz PORYSTXUCFIRRA-UHFFFAOYSA-N -1 3 324.340 2.787 20 0 DFADHM O=C(NC[C@H]1CCN1Cc1ccccc1)c1ccc([O-])cc1F ZINC000620770885 399589700 /nfs/dbraw/zinc/58/97/00/399589700.db2.gz CCANDUTWHYWOOY-CQSZACIVSA-N -1 3 314.360 2.536 20 0 DFADHM Cc1ccc(C2=CCN(C(=O)/C=C/c3cncc([O-])c3)CC2)cn1 ZINC000492402729 299582051 /nfs/dbraw/zinc/58/20/51/299582051.db2.gz XIXUJLFYBHLZKA-HWKANZROSA-N -1 3 321.380 2.820 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000620781915 399594948 /nfs/dbraw/zinc/59/49/48/399594948.db2.gz YMPYIGLYCSLMQV-LLVKDONJSA-N -1 3 317.307 2.748 20 0 DFADHM C[C@H]1CC[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000347841806 285200550 /nfs/dbraw/zinc/20/05/50/285200550.db2.gz XTTCWLZSJMLGEH-GZMMTYOYSA-N -1 3 313.195 2.752 20 0 DFADHM CCOCCC1(CNC(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000156572242 197124589 /nfs/dbraw/zinc/12/45/89/197124589.db2.gz SRERJMYSDWTGBN-UHFFFAOYSA-N 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ZINC000024759904 542426548 /nfs/dbraw/zinc/42/65/48/542426548.db2.gz LSHBKFPHAMDCDZ-UHFFFAOYSA-N -1 3 308.403 2.593 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CCCC12CC2 ZINC000625669354 399609814 /nfs/dbraw/zinc/60/98/14/399609814.db2.gz AJSOPFYSHIGSHO-JTQLQIEISA-N -1 3 301.433 2.615 20 0 DFADHM CC1(C)CCC[C@@]2(C1)NC(=O)N(Cc1ccc([O-])c(F)c1)C2=O ZINC000629467687 399610830 /nfs/dbraw/zinc/61/08/30/399610830.db2.gz UDVSZYRTFWFYBV-KRWDZBQOSA-N -1 3 320.364 2.922 20 0 DFADHM COc1cccc(CCC(=O)Nc2ccccc2[O-])c1OC ZINC000073138815 542463799 /nfs/dbraw/zinc/46/37/99/542463799.db2.gz LJHVWQSPNIXHLB-UHFFFAOYSA-N -1 3 301.342 2.981 20 0 DFADHM Cc1nn(-c2ccccc2)c(C)c1CNCc1ncccc1[O-] ZINC000347941741 285260228 /nfs/dbraw/zinc/26/02/28/285260228.db2.gz NBYQDINLYOSSIW-UHFFFAOYSA-N -1 3 308.385 2.880 20 0 DFADHM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(C)cc2C)nc1C ZINC000347953151 285266653 /nfs/dbraw/zinc/26/66/53/285266653.db2.gz GWGQPCCKMIUIRK-CYBMUJFWSA-N -1 3 321.446 2.868 20 0 DFADHM 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ZINC000675104432 544284263 /nfs/dbraw/zinc/28/42/63/544284263.db2.gz OMWAWNPLXNWDPQ-UHFFFAOYSA-N -1 3 312.778 2.686 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2c2cncn2CC)n1 ZINC000675180497 544290459 /nfs/dbraw/zinc/29/04/59/544290459.db2.gz JDMGLSPJYIOVDA-CQSZACIVSA-N -1 3 315.421 2.688 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c(F)cc1F ZINC000674676078 544250848 /nfs/dbraw/zinc/25/08/48/544250848.db2.gz JXJVPJJEJANBHV-UHFFFAOYSA-N -1 3 321.732 2.998 20 0 DFADHM CCC(CC)(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000675456108 544313144 /nfs/dbraw/zinc/31/31/44/544313144.db2.gz RIDWDQCDZDZXHO-UHFFFAOYSA-N -1 3 301.394 2.699 20 0 DFADHM CCC(CC)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000675456108 544313146 /nfs/dbraw/zinc/31/31/46/544313146.db2.gz RIDWDQCDZDZXHO-UHFFFAOYSA-N -1 3 301.394 2.699 20 0 DFADHM COc1cccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c1 ZINC000681371534 545634109 /nfs/dbraw/zinc/63/41/09/545634109.db2.gz MUOGSSHGDDBEGQ-LBPRGKRZSA-N -1 3 323.336 2.705 20 0 DFADHM 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COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)c(C)c1 ZINC000050530489 425882216 /nfs/dbraw/zinc/88/22/16/425882216.db2.gz CFTFUJCTSIMUDK-UHFFFAOYSA-N -1 3 323.345 2.722 20 0 DFADHM CCOCc1ccc(CNC(=O)c2c([O-])cccc2O)cc1 ZINC000125647108 425983846 /nfs/dbraw/zinc/98/38/46/425983846.db2.gz GANBPDYOFWXNKR-UHFFFAOYSA-N -1 3 301.342 2.564 20 0 DFADHM CC(C)c1nc(CCNC(=O)c2c([O-])cccc2O)cs1 ZINC000125766062 425988625 /nfs/dbraw/zinc/98/86/25/425988625.db2.gz IVVTVNOCLVTGHN-UHFFFAOYSA-N -1 3 306.387 2.650 20 0 DFADHM CCc1cc(=O)[n-]c(CSCc2ccc(C(=O)NC)cc2)n1 ZINC000125749329 425989259 /nfs/dbraw/zinc/98/92/59/425989259.db2.gz PPVUXZKXJWUAPO-UHFFFAOYSA-N -1 3 317.414 2.538 20 0 DFADHM CCc1cnc(S(=O)(=O)Cc2c(F)cccc2Cl)[n-]1 ZINC000125845986 425992518 /nfs/dbraw/zinc/99/25/18/425992518.db2.gz OCLRCOBPFBLAPP-UHFFFAOYSA-N -1 3 302.758 2.739 20 0 DFADHM CCc1c[n-]c(S(=O)(=O)Cc2c(F)cccc2Cl)n1 ZINC000125845986 425992521 /nfs/dbraw/zinc/99/25/21/425992521.db2.gz OCLRCOBPFBLAPP-UHFFFAOYSA-N -1 3 302.758 2.739 20 0 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CCSCC[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000074374939 426048007 /nfs/dbraw/zinc/04/80/07/426048007.db2.gz JDXKXEABTBWLBD-JTQLQIEISA-N -1 3 300.399 2.862 20 0 DFADHM CC[C@@H](CN=c1ncnc2[nH][n-]cc1-2)Oc1cccc(Cl)c1 ZINC000337597389 268518968 /nfs/dbraw/zinc/51/89/68/268518968.db2.gz GOFMKJWCIVGIGZ-NSHDSACASA-N -1 3 317.780 2.649 20 0 DFADHM CCN(CCc1nccs1)C(=O)c1ccc(OC)cc1[O-] ZINC000162310139 426060121 /nfs/dbraw/zinc/06/01/21/426060121.db2.gz WPHOKFKONMCMQQ-UHFFFAOYSA-N -1 3 306.387 2.562 20 0 DFADHM Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000162451945 426065236 /nfs/dbraw/zinc/06/52/36/426065236.db2.gz FWKQCVRODCWCFI-SECBINFHSA-N -1 3 321.352 2.567 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000075437785 426072830 /nfs/dbraw/zinc/07/28/30/426072830.db2.gz HGMIKAIIBTWVMG-NSHDSACASA-N -1 3 315.417 2.666 20 0 DFADHM O=S(=O)([N-]c1ccccc1Cl)c1cccc2c1OCO2 ZINC000337749189 268541640 /nfs/dbraw/zinc/54/16/40/268541640.db2.gz HZXPAUCCKFMYEU-UHFFFAOYSA-N -1 3 311.746 2.870 20 0 DFADHM COc1cccc(C(=O)Nc2ccc(-n3ccnc3C)nc2)c1[O-] ZINC000127517313 426070607 /nfs/dbraw/zinc/07/06/07/426070607.db2.gz PEQJCRPQJXUWRH-UHFFFAOYSA-N -1 3 324.340 2.542 20 0 DFADHM Cc1ccccc1NC(=O)[C@H](C)[S@@](=O)c1ccc([O-])cc1 ZINC000108082991 426009331 /nfs/dbraw/zinc/00/93/31/426009331.db2.gz IVJOGHAKGASXEO-QKVFXAPYSA-N -1 3 303.383 2.835 20 0 DFADHM Cc1cccc(NC(=O)[C@H](C)[S@@](=O)c2ccc([O-])cc2)c1 ZINC000108085952 426009819 /nfs/dbraw/zinc/00/98/19/426009819.db2.gz WGAUGZCRQYNMBZ-QKVFXAPYSA-N -1 3 303.383 2.835 20 0 DFADHM Cc1ccc(NC(=O)[C@H](C)[S@@](=O)c2ccc([O-])cc2)c(F)c1 ZINC000108086957 426009909 /nfs/dbraw/zinc/00/99/09/426009909.db2.gz DYWVSLIRICTANL-SAHAZLINSA-N -1 3 321.373 2.975 20 0 DFADHM O=[S@@](Cc1noc(-c2cccs2)n1)c1ccc([O-])cc1 ZINC000108086259 426010057 /nfs/dbraw/zinc/01/00/57/426010057.db2.gz CMBLTDXIKGVZBU-HXUWFJFHSA-N -1 3 306.368 2.812 20 0 DFADHM Cc1ccc(NC(=O)[C@@H](C)[S@](=O)c2ccc([O-])cc2)c(F)c1 ZINC000108086960 426010274 /nfs/dbraw/zinc/01/02/74/426010274.db2.gz DYWVSLIRICTANL-RKFFSXRUSA-N -1 3 321.373 2.975 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@@H]2CCOc3ccccc32)c1 ZINC000108739341 426021140 /nfs/dbraw/zinc/02/11/40/426021140.db2.gz RRNSHTCOCQFDHG-LBPRGKRZSA-N -1 3 313.353 2.697 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3CCS[C@@H](C)C3)c[n-]c12 ZINC000163210006 426092113 /nfs/dbraw/zinc/09/21/13/426092113.db2.gz SVMAKOPPWRZJNC-NSHDSACASA-N -1 3 302.399 2.826 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N(C)C[C@@H]3CCCOC3)c[n-]c12 ZINC000163336646 426096168 /nfs/dbraw/zinc/09/61/68/426096168.db2.gz WWCPRUOZUMPYND-ZDUSSCGKSA-N -1 3 314.385 2.747 20 0 DFADHM Cc1ccc(OCC(=O)Nc2nnc(-c3ccco3)[n-]2)c(C)c1 ZINC000128062111 426099732 /nfs/dbraw/zinc/09/97/32/426099732.db2.gz BYJQGVXQULKNBG-UHFFFAOYSA-N -1 3 312.329 2.699 20 0 DFADHM Cc1ccc(OCC(=O)Nc2nc(-c3ccco3)n[n-]2)c(C)c1 ZINC000128062111 426099736 /nfs/dbraw/zinc/09/97/36/426099736.db2.gz BYJQGVXQULKNBG-UHFFFAOYSA-N -1 3 312.329 2.699 20 0 DFADHM Cc1ccc(OCC(=O)Nc2n[n-]c(-c3ccco3)n2)c(C)c1 ZINC000128062111 426099739 /nfs/dbraw/zinc/09/97/39/426099739.db2.gz BYJQGVXQULKNBG-UHFFFAOYSA-N -1 3 312.329 2.699 20 0 DFADHM COc1ccc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000113387549 426114599 /nfs/dbraw/zinc/11/45/99/426114599.db2.gz XQMFHAUBBADQMW-ZDUSSCGKSA-N -1 3 303.280 2.534 20 0 DFADHM CN(C)C(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000076965186 426119792 /nfs/dbraw/zinc/11/97/92/426119792.db2.gz IEFQUMVALKRDBZ-UHFFFAOYSA-N -1 3 318.760 3.000 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)C(C)(C)C2CCCC2)n[n-]1 ZINC000128604155 426124586 /nfs/dbraw/zinc/12/45/86/426124586.db2.gz CFYLSAINXBMXFQ-UHFFFAOYSA-N -1 3 301.394 2.965 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)C(C)(C)C2CCCC2)[n-]n1 ZINC000128604155 426124590 /nfs/dbraw/zinc/12/45/90/426124590.db2.gz CFYLSAINXBMXFQ-UHFFFAOYSA-N -1 3 301.394 2.965 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)c(C)c1 ZINC000128633214 426126762 /nfs/dbraw/zinc/12/67/62/426126762.db2.gz GGVLIURISGCVRT-UHFFFAOYSA-N -1 3 312.778 2.853 20 0 DFADHM CCc1[nH]c(C(=O)Nc2cccc([O-])c2F)c(C)c1C(=O)OC ZINC000128740904 426131965 /nfs/dbraw/zinc/13/19/65/426131965.db2.gz DGCZGWDRGYAHKC-UHFFFAOYSA-N -1 3 320.320 2.769 20 0 DFADHM Cc1nc(C(=O)[N-]c2nnc3n2CCCC3)c(-c2ccccc2)o1 ZINC000128770876 426132179 /nfs/dbraw/zinc/13/21/79/426132179.db2.gz DIQFVZOFGRXBEY-UHFFFAOYSA-N -1 3 323.356 2.830 20 0 DFADHM O=C1[C@H]([N-]c2nc3cc(F)ccc3o2)CCN1CC(F)(F)F ZINC000114450107 426136007 /nfs/dbraw/zinc/13/60/07/426136007.db2.gz PJHXEZNEUSWYMX-MRVPVSSYSA-N -1 3 317.242 2.542 20 0 DFADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)s1 ZINC000162801141 426077942 /nfs/dbraw/zinc/07/79/42/426077942.db2.gz ZNNMEUHOGGPPJH-VHSXEESVSA-N -1 3 321.851 2.637 20 0 DFADHM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(OC)cc2[O-])C1(C)C ZINC000127667574 426078882 /nfs/dbraw/zinc/07/88/82/426078882.db2.gz MPMAFPIPCKPZKF-GJZGRUSLSA-N -1 3 307.390 2.676 20 0 DFADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccn1 ZINC000112496087 426080824 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ZINC000115110716 426155006 /nfs/dbraw/zinc/15/50/06/426155006.db2.gz ZOOBCCHZGMZXQG-OAHLLOKOSA-N -1 3 300.358 2.928 20 0 DFADHM COCCN(Cc1ccccc1)C(=O)c1cc(OC)ccc1[O-] ZINC000078242417 426162265 /nfs/dbraw/zinc/16/22/65/426162265.db2.gz DOQNOMYELJNQNO-UHFFFAOYSA-N -1 3 315.369 2.690 20 0 DFADHM Cc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1[O-] ZINC000078242274 426162439 /nfs/dbraw/zinc/16/24/39/426162439.db2.gz MXGFBGVJYOKKBC-UHFFFAOYSA-N -1 3 314.360 2.802 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@H](CCC(C)C)C(C)(C)C)c(=O)[n-]1 ZINC000115478415 426165275 /nfs/dbraw/zinc/16/52/75/426165275.db2.gz YKQKBRSQBNFQGE-OAHLLOKOSA-N -1 3 321.465 2.896 20 0 DFADHM COc1cccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)c1[O-] ZINC000078361420 426167085 /nfs/dbraw/zinc/16/70/85/426167085.db2.gz NQMOHQASHPABCS-TZMCWYRMSA-N -1 3 307.390 2.726 20 0 DFADHM COc1cccc(C(=O)Nc2ccc(N3CCCC3)nc2)c1[O-] ZINC000078437479 426170245 /nfs/dbraw/zinc/17/02/45/426170245.db2.gz XOEJMFHRPRMVFC-UHFFFAOYSA-N -1 3 313.357 2.648 20 0 DFADHM O=C(NN1CCCCC1=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000171119019 426171374 /nfs/dbraw/zinc/17/13/74/426171374.db2.gz KOGQDTXRDOTWDR-UHFFFAOYSA-N -1 3 324.380 2.640 20 0 DFADHM COc1cccc(C(=O)N(C)CCOc2ccc(F)cc2)c1[O-] ZINC000078573080 426175708 /nfs/dbraw/zinc/17/57/08/426175708.db2.gz OLCXRBHMYPHESS-UHFFFAOYSA-N -1 3 319.332 2.691 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccccc3)C2)c1 ZINC000078672617 426180124 /nfs/dbraw/zinc/18/01/24/426180124.db2.gz VTHDJXNUUJNKQY-KRWDZBQOSA-N -1 3 313.353 2.615 20 0 DFADHM Cc1cccc(C(=O)NCc2ccc(N3CCCC3)nc2)c1[O-] ZINC000078678436 426180506 /nfs/dbraw/zinc/18/05/06/426180506.db2.gz RWARLHUSFGHASP-UHFFFAOYSA-N -1 3 311.385 2.626 20 0 DFADHM CCOCCC1(CNC(=O)c2ccc(O)cc2[O-])CCCC1 ZINC000133536590 426180876 /nfs/dbraw/zinc/18/08/76/426180876.db2.gz TWINVJOSUSIZDO-UHFFFAOYSA-N -1 3 307.390 2.815 20 0 DFADHM COC(=O)c1ccoc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000078768151 426184972 /nfs/dbraw/zinc/18/49/72/426184972.db2.gz HPUKLOVRCUCTCR-UHFFFAOYSA-N -1 3 316.342 2.539 20 0 DFADHM C[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1c(F)cccc1F ZINC000134543589 426188057 /nfs/dbraw/zinc/18/80/57/426188057.db2.gz KFRRQMOBLLRRET-RXMQYKEDSA-N -1 3 320.221 2.844 20 0 DFADHM C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1c(F)cccc1F ZINC000134543589 426188058 /nfs/dbraw/zinc/18/80/58/426188058.db2.gz KFRRQMOBLLRRET-RXMQYKEDSA-N -1 3 320.221 2.844 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000171415381 426189787 /nfs/dbraw/zinc/18/97/87/426189787.db2.gz DUVMJJGPIGMJMP-SSDOTTSWSA-N -1 3 311.300 2.921 20 0 DFADHM CC(C)Oc1ccc([C@@H](O)CNC(=O)c2ccccc2[O-])cc1 ZINC000116462451 426191016 /nfs/dbraw/zinc/19/10/16/426191016.db2.gz RCCNFHMNXFQXMI-KRWDZBQOSA-N -1 3 315.369 2.643 20 0 DFADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c(=O)[n-]1 ZINC000171516683 426191409 /nfs/dbraw/zinc/19/14/09/426191409.db2.gz XBILUZBGPVYPKD-CABCVRRESA-N -1 3 319.449 2.650 20 0 DFADHM CNC(=O)Cc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000079935237 426206479 /nfs/dbraw/zinc/20/64/79/426206479.db2.gz MECSCBKVOVTVBR-UHFFFAOYSA-N -1 3 312.369 2.550 20 0 DFADHM COCCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000081037273 426218178 /nfs/dbraw/zinc/21/81/78/426218178.db2.gz SRJQOWSFIUZDKK-UHFFFAOYSA-N -1 3 319.835 2.870 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCCc2nc3cc(F)ccc3[nH]2)c1 ZINC000081796781 426226165 /nfs/dbraw/zinc/22/61/65/426226165.db2.gz YQWHAKPRCKSHKJ-UHFFFAOYSA-N -1 3 313.332 2.689 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CSc2ccccc21 ZINC000118219857 426230855 /nfs/dbraw/zinc/23/08/55/426230855.db2.gz VMZYZWIQVQTYFO-ZDUSSCGKSA-N -1 3 323.381 2.695 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CSc2ccccc21 ZINC000118219857 426230857 /nfs/dbraw/zinc/23/08/57/426230857.db2.gz VMZYZWIQVQTYFO-ZDUSSCGKSA-N -1 3 323.381 2.695 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC000118274515 426231304 /nfs/dbraw/zinc/23/13/04/426231304.db2.gz WLSOWSYGXYUBRN-NHYWBVRUSA-N -1 3 307.390 2.669 20 0 DFADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000173522010 426243092 /nfs/dbraw/zinc/24/30/92/426243092.db2.gz VKCULKAULFJQGN-SECBINFHSA-N -1 3 323.817 2.961 20 0 DFADHM CCCCSCCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136999374 426249243 /nfs/dbraw/zinc/24/92/43/426249243.db2.gz GDFZVPYNRDRTCX-UHFFFAOYSA-N -1 3 319.434 2.652 20 0 DFADHM CCCCSCCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136999374 426249247 /nfs/dbraw/zinc/24/92/47/426249247.db2.gz GDFZVPYNRDRTCX-UHFFFAOYSA-N -1 3 319.434 2.652 20 0 DFADHM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000137058173 426249844 /nfs/dbraw/zinc/24/98/44/426249844.db2.gz OPECVEOPFWLHHR-CYBMUJFWSA-N -1 3 305.374 2.586 20 0 DFADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCOC1 ZINC000085586662 426252787 /nfs/dbraw/zinc/25/27/87/426252787.db2.gz UAZYQAHOPHYNMJ-QMMMGPOBSA-N -1 3 300.152 2.520 20 0 DFADHM COc1cccc(F)c1[C@H](C)N[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000174228334 426253070 /nfs/dbraw/zinc/25/30/70/426253070.db2.gz ANQSIASFMQWWMS-QWRGUYRKSA-N -1 3 321.352 2.809 20 0 DFADHM C[C@H](COc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000118997305 426254598 /nfs/dbraw/zinc/25/45/98/426254598.db2.gz OEEIIIPHLLHMPH-GFCCVEGCSA-N -1 3 323.356 2.520 20 0 DFADHM C[C@H](COc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000118997305 426254600 /nfs/dbraw/zinc/25/46/00/426254600.db2.gz OEEIIIPHLLHMPH-GFCCVEGCSA-N -1 3 323.356 2.520 20 0 DFADHM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1nnc[n-]1 ZINC000086169544 426255604 /nfs/dbraw/zinc/25/56/04/426255604.db2.gz RYOMEMSLXPZPEI-LURJTMIESA-N -1 3 306.174 2.646 20 0 DFADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000086515465 426260052 /nfs/dbraw/zinc/26/00/52/426260052.db2.gz XOZPVXOHEWCVSU-UHFFFAOYSA-N -1 3 324.229 2.887 20 0 DFADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000119160357 426267359 /nfs/dbraw/zinc/26/73/59/426267359.db2.gz QWSGOMCVVRHVBK-LBPRGKRZSA-N -1 3 323.817 2.555 20 0 DFADHM O=C(CC1CCOCC1)Nc1ccc(Br)cc1[O-] ZINC000117237660 426209493 /nfs/dbraw/zinc/20/94/93/426209493.db2.gz PBTARBKGUDWELX-UHFFFAOYSA-N -1 3 314.179 2.910 20 0 DFADHM CO[C@H](CNC(=O)c1cccc(C)c1[O-])c1ccc(F)cc1 ZINC000080034238 426209724 /nfs/dbraw/zinc/20/97/24/426209724.db2.gz KIUZUIKKQBJSDV-OAHLLOKOSA-N -1 3 303.333 2.957 20 0 DFADHM CS[C@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000117318209 426212389 /nfs/dbraw/zinc/21/23/89/426212389.db2.gz BZQLGVYMEBYFGC-NEPJUHHUSA-N -1 3 316.426 2.932 20 0 DFADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000117375979 426212822 /nfs/dbraw/zinc/21/28/22/426212822.db2.gz DBFJUVQFRDFGNJ-ZJUUUORDSA-N -1 3 320.867 2.688 20 0 DFADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000117375971 426212938 /nfs/dbraw/zinc/21/29/38/426212938.db2.gz DBFJUVQFRDFGNJ-UWVGGRQHSA-N -1 3 320.867 2.688 20 0 DFADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000117374581 426213631 /nfs/dbraw/zinc/21/36/31/426213631.db2.gz BNNKKNDYGSNIDY-GHMZBOCLSA-N -1 3 321.414 2.917 20 0 DFADHM CN(C)[C@@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000175218349 426288638 /nfs/dbraw/zinc/28/86/38/426288638.db2.gz BEANWLRKFFQFOW-LLVKDONJSA-N -1 3 318.804 2.975 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000175226317 426289371 /nfs/dbraw/zinc/28/93/71/426289371.db2.gz HKKCMKUVGZEIGD-QMTHXVAHSA-N -1 3 322.290 2.666 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000175226317 426289374 /nfs/dbraw/zinc/28/93/74/426289374.db2.gz HKKCMKUVGZEIGD-QMTHXVAHSA-N -1 3 322.290 2.666 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000119559421 426296830 /nfs/dbraw/zinc/29/68/30/426296830.db2.gz PSDUDODBILEFBG-CYBMUJFWSA-N -1 3 324.359 2.802 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(C)c1)c1ccco1 ZINC000175358015 426298540 /nfs/dbraw/zinc/29/85/40/426298540.db2.gz ZATARWATLGNVDS-CQSZACIVSA-N -1 3 309.387 2.562 20 0 DFADHM O=S(=O)([N-]CC1(c2cccc(F)c2)CC1)c1cccs1 ZINC000151502058 426298771 /nfs/dbraw/zinc/29/87/71/426298771.db2.gz XMKRFTRYVZBWDP-UHFFFAOYSA-N -1 3 311.403 2.897 20 0 DFADHM CCc1oc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1C ZINC000120068002 426305783 /nfs/dbraw/zinc/30/57/83/426305783.db2.gz XYFHGBCRHGARGF-UHFFFAOYSA-N -1 3 322.386 2.774 20 0 DFADHM CCCCCC[C@@H](C)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000175486770 426308599 /nfs/dbraw/zinc/30/85/99/426308599.db2.gz RAEGJBSEJCMAFS-CQSZACIVSA-N -1 3 320.433 2.845 20 0 DFADHM CCCN(CC(=O)OCC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000339513116 268829667 /nfs/dbraw/zinc/82/96/67/268829667.db2.gz JSMFXJKLULGMFM-UHFFFAOYSA-N -1 3 315.369 2.961 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(F)cc(F)c2)s1 ZINC000175620343 426318134 /nfs/dbraw/zinc/31/81/34/426318134.db2.gz MTLXFMVKVMVSPQ-QMMMGPOBSA-N -1 3 318.370 2.769 20 0 DFADHM Cc1n[nH]cc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000090231270 426325432 /nfs/dbraw/zinc/32/54/32/426325432.db2.gz MNCFDNZYMJJFJH-UHFFFAOYSA-N -1 3 319.308 2.679 20 0 DFADHM C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000121216275 426325717 /nfs/dbraw/zinc/32/57/17/426325717.db2.gz YLWAGZVCCHIVPQ-DYVFJYSZSA-N -1 3 312.413 2.958 20 0 DFADHM Cc1ccccc1C=C([O-])Nc1nc(-c2cccnc2)ns1 ZINC000339600113 268845754 /nfs/dbraw/zinc/84/57/54/268845754.db2.gz ZJVQRIPGELINKS-UHFFFAOYSA-N -1 3 310.382 2.512 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1sccc1OC)c1nccs1 ZINC000121233320 426327609 /nfs/dbraw/zinc/32/76/09/426327609.db2.gz PHBBDVIVTAXTFQ-QMMMGPOBSA-N -1 3 318.445 2.643 20 0 DFADHM Cc1nccn1CCCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000175819569 426331296 /nfs/dbraw/zinc/33/12/96/426331296.db2.gz JQOXOYYTIJOYRJ-UHFFFAOYSA-N -1 3 307.781 2.761 20 0 DFADHM COC(=O)N[C@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000175836127 426331739 /nfs/dbraw/zinc/33/17/39/426331739.db2.gz GXSUIALHCPXFAI-NSHDSACASA-N -1 3 314.769 2.673 20 0 DFADHM CC[C@H](CSC)N(C)Cc1c([O-])nnn1-c1ccccc1 ZINC000091024833 426335582 /nfs/dbraw/zinc/33/55/82/426335582.db2.gz RMOULZOWWARGSL-GFCCVEGCSA-N -1 3 306.435 2.546 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000152335038 426338666 /nfs/dbraw/zinc/33/86/66/426338666.db2.gz BEDPNWCAUFKUDE-CHWSQXEVSA-N -1 3 304.296 2.711 20 0 DFADHM Cc1ccccc1CCC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119300423 426276567 /nfs/dbraw/zinc/27/65/67/426276567.db2.gz OCFDLIVWCWLBFI-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM Cc1ccccc1CCC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119300423 426276570 /nfs/dbraw/zinc/27/65/70/426276570.db2.gz OCFDLIVWCWLBFI-UHFFFAOYSA-N -1 3 309.373 2.690 20 0 DFADHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000175062362 426276900 /nfs/dbraw/zinc/27/69/00/426276900.db2.gz CFAXIZDKEVRURA-LLVKDONJSA-N -1 3 301.390 2.868 20 0 DFADHM CC(C)n1c(CNc2ncnc3ccccc32)n[n-]c1=S ZINC000119331783 426279719 /nfs/dbraw/zinc/27/97/19/426279719.db2.gz LUPGCYVPFKSTHF-UHFFFAOYSA-N -1 3 300.391 2.703 20 0 DFADHM CC(C)C[C@@H]1CCCN(C(=O)c2cnc3c(cnn3C)c2[O-])C1 ZINC000119346091 426280527 /nfs/dbraw/zinc/28/05/27/426280527.db2.gz JWRYZQMHIJMCLF-LBPRGKRZSA-N -1 3 316.405 2.572 20 0 DFADHM NC(=O)CCN(C(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000339718496 268873717 /nfs/dbraw/zinc/87/37/17/268873717.db2.gz OARSLSCASRMNCJ-UHFFFAOYSA-N -1 3 318.760 2.568 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(F)cc2Cl)n[n-]1 ZINC000119420844 426287593 /nfs/dbraw/zinc/28/75/93/426287593.db2.gz UGEMCJVNNYJIEH-UHFFFAOYSA-N -1 3 319.727 2.855 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(F)cc2Cl)[n-]n1 ZINC000119420844 426287594 /nfs/dbraw/zinc/28/75/94/426287594.db2.gz UGEMCJVNNYJIEH-UHFFFAOYSA-N -1 3 319.727 2.855 20 0 DFADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2c(C)noc2C)cc1 ZINC000122941136 426403872 /nfs/dbraw/zinc/40/38/72/426403872.db2.gz VOFRBFQNZUKEDN-UHFFFAOYSA-N -1 3 310.300 2.708 20 0 DFADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)Cc1ccccc1F)CO2 ZINC000152574958 426347371 /nfs/dbraw/zinc/34/73/71/426347371.db2.gz PDBMYRPNYDMHPY-OAHLLOKOSA-N -1 3 321.373 2.687 20 0 DFADHM Cc1ccccc1O[C@H](C)CNC(=O)c1c([O-])cccc1O ZINC000092123245 426347802 /nfs/dbraw/zinc/34/78/02/426347802.db2.gz JMSJPXSZDLMODS-GFCCVEGCSA-N -1 3 301.342 2.604 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cccc(Cl)c1Cl ZINC000176051221 426348496 /nfs/dbraw/zinc/34/84/96/426348496.db2.gz SQPVOKQPBLXKRL-UHFFFAOYSA-N -1 3 314.128 2.755 20 0 DFADHM CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000176083334 426350276 /nfs/dbraw/zinc/35/02/76/426350276.db2.gz OEPFNSSGJNVENT-OYMPBJRDSA-N -1 3 309.431 2.510 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)c1 ZINC000176206603 426359772 /nfs/dbraw/zinc/35/97/72/426359772.db2.gz NXYBQYZHUFPBCO-QLEMLULZSA-N -1 3 323.458 2.764 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)c1 ZINC000176206629 426359914 /nfs/dbraw/zinc/35/99/14/426359914.db2.gz NXYBQYZHUFPBCO-SOHPYSCWSA-N -1 3 323.458 2.764 20 0 DFADHM Cn1nccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094079319 426360275 /nfs/dbraw/zinc/36/02/75/426360275.db2.gz UNGGFJYSPYBPBR-UHFFFAOYSA-N -1 3 323.352 2.957 20 0 DFADHM O=C(COc1ccccc1Br)Nc1ncccc1[O-] ZINC000122147290 426361143 /nfs/dbraw/zinc/36/11/43/426361143.db2.gz RKLVLRVCKRTREI-UHFFFAOYSA-N -1 3 323.146 2.567 20 0 DFADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)ccn1 ZINC000152988421 426364796 /nfs/dbraw/zinc/36/47/96/426364796.db2.gz KDGJKXOMBZLADG-UHFFFAOYSA-N -1 3 317.414 2.573 20 0 DFADHM CC(C)[C@@H](NC(=O)c1c[n-]nn1)c1ccc(C(F)(F)F)cc1 ZINC000153083264 426369148 /nfs/dbraw/zinc/36/91/48/426369148.db2.gz LUSCGCJDFBHEAG-GFCCVEGCSA-N -1 3 312.295 2.951 20 0 DFADHM CC(C)[C@@H](NC(=O)c1cnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000153083264 426369151 /nfs/dbraw/zinc/36/91/51/426369151.db2.gz LUSCGCJDFBHEAG-GFCCVEGCSA-N -1 3 312.295 2.951 20 0 DFADHM CC(C)[C@@H](NC(=O)c1cn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000153083264 426369154 /nfs/dbraw/zinc/36/91/54/426369154.db2.gz LUSCGCJDFBHEAG-GFCCVEGCSA-N -1 3 312.295 2.951 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CCc2c3ccccc3[nH]c2C1 ZINC000153135357 426372236 /nfs/dbraw/zinc/37/22/36/426372236.db2.gz QXJWOOCUDODQOC-UHFFFAOYSA-N -1 3 317.352 2.638 20 0 DFADHM COC(=O)[C@H](C)[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000176402636 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Cc1cccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000171397082 271104277 /nfs/dbraw/zinc/10/42/77/271104277.db2.gz WPQNGYWHGRYAFY-UHFFFAOYSA-N -1 3 312.369 2.768 20 0 DFADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccccc2F)n1)c1cccnc1 ZINC000174069722 271126022 /nfs/dbraw/zinc/12/60/22/271126022.db2.gz LDGTWDCMYBCOQR-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCCc2cccc([O-])c21 ZINC000182913465 427166404 /nfs/dbraw/zinc/16/64/04/427166404.db2.gz CXSXWGGRDIUBBG-HIFRSBDPSA-N -1 3 319.401 2.646 20 0 DFADHM Cc1nn(C)c(C)c1CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000182903591 427166824 /nfs/dbraw/zinc/16/68/24/427166824.db2.gz AMUMEIWGSGLNQH-UHFFFAOYSA-N -1 3 313.401 2.551 20 0 DFADHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000175277284 271152117 /nfs/dbraw/zinc/15/21/17/271152117.db2.gz KKNMWIFKJJIRSA-VXGBXAGGSA-N -1 3 303.424 2.778 20 0 DFADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000175277303 271152140 /nfs/dbraw/zinc/15/21/40/271152140.db2.gz KKNMWIFKJJIRSA-NEPJUHHUSA-N 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/nfs/dbraw/zinc/04/21/84/428042184.db2.gz KGLHWSJDHAWHMB-UHFFFAOYSA-N -1 3 318.377 2.907 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)COC3CCC(C)CC3)n[n-]2)o1 ZINC000359841618 428042188 /nfs/dbraw/zinc/04/21/88/428042188.db2.gz KGLHWSJDHAWHMB-UHFFFAOYSA-N -1 3 318.377 2.907 20 0 DFADHM COCCOc1cccc(CCC(=O)Nc2ccccc2[O-])c1 ZINC000356153095 428043306 /nfs/dbraw/zinc/04/33/06/428043306.db2.gz SAYVOQZGNLJSBM-UHFFFAOYSA-N -1 3 315.369 2.989 20 0 DFADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)C(c1ccccc1)c1ccccc1 ZINC000347594557 272804683 /nfs/dbraw/zinc/80/46/83/272804683.db2.gz TVJUIIIOCYIKQW-CYBMUJFWSA-N -1 3 308.385 2.821 20 0 DFADHM CSc1ccc(C(=O)NCc2noc3c2CCCC3)c([O-])c1 ZINC000377082987 428054371 /nfs/dbraw/zinc/05/43/71/428054371.db2.gz OWVVEBNRRUZGKO-UHFFFAOYSA-N -1 3 318.398 2.911 20 0 DFADHM CCCCS(=O)(=O)[N-]Cc1nc(C2CCC(C)CC2)no1 ZINC000356190928 428060302 /nfs/dbraw/zinc/06/03/02/428060302.db2.gz IVQFDGUBVFPACL-UHFFFAOYSA-N -1 3 315.439 2.583 20 0 DFADHM O=C(Nc1ccc(OCC(F)F)cc1)c1ccc2n[n-]nc2c1 ZINC000359748095 428003293 /nfs/dbraw/zinc/00/32/93/428003293.db2.gz LOWQDWQOPYZMJX-UHFFFAOYSA-N -1 3 318.283 2.854 20 0 DFADHM [O-]c1cncc(/C=C/c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000351074645 428008170 /nfs/dbraw/zinc/00/81/70/428008170.db2.gz JJVFHNPXXLSFGV-OWOJBTEDSA-N -1 3 305.297 2.655 20 0 DFADHM CO[C@](C)([C@H](C)NC(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000413310967 428016944 /nfs/dbraw/zinc/01/69/44/428016944.db2.gz OBWVFIONGSCHFX-MGPLVRAMSA-N -1 3 310.369 2.534 20 0 DFADHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000341220188 428020180 /nfs/dbraw/zinc/02/01/80/428020180.db2.gz RWWBPMSZYOONKY-ONGXEEELSA-N -1 3 321.801 2.573 20 0 DFADHM O=c1cc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)nc[n-]1 ZINC000351362220 428074018 /nfs/dbraw/zinc/07/40/18/428074018.db2.gz AVEALADYOVGEDQ-AWEZNQCLSA-N -1 3 323.356 2.569 20 0 DFADHM C[C@H]1CC(CNC(=O)NCc2ccc([O-])c(F)c2)C[C@H](C)O1 ZINC000341484532 428082537 /nfs/dbraw/zinc/08/25/37/428082537.db2.gz ICAQQHAHUOSVRD-QWRGUYRKSA-N -1 3 310.369 2.534 20 0 DFADHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000359937065 428085773 /nfs/dbraw/zinc/08/57/73/428085773.db2.gz ICYXOXBPOHRTOM-UWVGGRQHSA-N -1 3 322.352 2.815 20 0 DFADHM COc1cccc(Cl)c1C[N-]c1nnc(C(F)(F)F)o1 ZINC000351473760 428092295 /nfs/dbraw/zinc/09/22/95/428092295.db2.gz WPCLANXOEREYNL-UHFFFAOYSA-N -1 3 307.659 3.363 20 0 DFADHM O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1csc(=O)[n-]1 ZINC000369946868 428095767 /nfs/dbraw/zinc/09/57/67/428095767.db2.gz CUZIIDXGWKUVFE-JLIMDTESSA-N -1 3 310.325 2.803 20 0 DFADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCOCC2(CCC2)C1 ZINC000346261176 428098300 /nfs/dbraw/zinc/09/83/00/428098300.db2.gz YBMNPEMPOKEDFN-UHFFFAOYSA-N -1 3 321.392 2.883 20 0 DFADHM CC[C@@]1(CO)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000346271053 428101960 /nfs/dbraw/zinc/10/19/60/428101960.db2.gz ASRKADDEDDRCOB-GOSISDBHSA-N -1 3 323.408 2.865 20 0 DFADHM CSc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)nc1 ZINC000341568952 428107797 /nfs/dbraw/zinc/10/77/97/428107797.db2.gz VLCUSCWYVZELSC-UHFFFAOYSA-N -1 3 311.370 2.841 20 0 DFADHM CSc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)nc1 ZINC000341568952 428107802 /nfs/dbraw/zinc/10/78/02/428107802.db2.gz VLCUSCWYVZELSC-UHFFFAOYSA-N -1 3 311.370 2.841 20 0 DFADHM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000377340524 428108176 /nfs/dbraw/zinc/10/81/76/428108176.db2.gz WFEBURPKKVEGNW-MGPLVRAMSA-N -1 3 316.332 2.853 20 0 DFADHM Cc1ccc(-c2noc([N-]Cc3cn4ccccc4n3)n2)cc1 ZINC000351822228 428111798 /nfs/dbraw/zinc/11/17/98/428111798.db2.gz MHWQHRBYUCBBPZ-UHFFFAOYSA-N -1 3 305.341 3.305 20 0 DFADHM CCCN(C)S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000360006039 428111990 /nfs/dbraw/zinc/11/19/90/428111990.db2.gz IMGCTONTXIUJPK-UHFFFAOYSA-N -1 3 312.313 2.584 20 0 DFADHM C[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Oc1ccccc1 ZINC000356301297 428113598 /nfs/dbraw/zinc/11/35/98/428113598.db2.gz PLLAGDTVTVLYCI-CYBMUJFWSA-N -1 3 322.364 2.725 20 0 DFADHM C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ncccc1[O-] ZINC000346303936 428115911 /nfs/dbraw/zinc/11/59/11/428115911.db2.gz GMSVOASSTBGEGF-LLVKDONJSA-N -1 3 308.341 2.548 20 0 DFADHM Cc1cc(C(=O)[N-]c2cc(-c3ccc4ncccc4c3)on2)no1 ZINC000370031646 428116517 /nfs/dbraw/zinc/11/65/17/428116517.db2.gz HMJKVHXKMVEUJP-UHFFFAOYSA-N -1 3 320.308 3.439 20 0 DFADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000377386772 428117117 /nfs/dbraw/zinc/11/71/17/428117117.db2.gz DIXLCAHJDOWQKZ-YMTOWFKASA-N -1 3 324.789 2.536 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)c(F)c1 ZINC000360020371 428119552 /nfs/dbraw/zinc/11/95/52/428119552.db2.gz ALTYPUPEPJMJKU-MGULZYLOSA-N -1 3 313.394 2.691 20 0 DFADHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000360024145 428121986 /nfs/dbraw/zinc/12/19/86/428121986.db2.gz NLJUIBPVXHJPQM-GXFFZTMASA-N -1 3 301.383 2.691 20 0 DFADHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000360024141 428122672 /nfs/dbraw/zinc/12/26/72/428122672.db2.gz NLJUIBPVXHJPQM-GWCFXTLKSA-N -1 3 301.383 2.691 20 0 DFADHM CCc1nnc([N-]C(=O)c2nc3ccccc3cc2Cl)s1 ZINC000352154306 428125050 /nfs/dbraw/zinc/12/50/50/428125050.db2.gz NMLOXEMRTRBJSG-UHFFFAOYSA-N -1 3 318.789 3.554 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2nccc3sccc32)c[n-]1 ZINC000346338013 428133477 /nfs/dbraw/zinc/13/34/77/428133477.db2.gz UJBQYFBXCGYVGQ-UHFFFAOYSA-N -1 3 301.327 2.663 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)[n-]c(=O)n1 ZINC000341640140 428137530 /nfs/dbraw/zinc/13/75/30/428137530.db2.gz ZFCPPEBRTGQCQC-CYBMUJFWSA-N -1 3 313.401 2.977 20 0 DFADHM C[C@@H]1CCC[C@H](CC[N-]S(=O)(=O)c2cncc(F)c2)C1 ZINC000360071285 428145419 /nfs/dbraw/zinc/14/54/19/428145419.db2.gz ZDHZIJJOSLHGAG-VXGBXAGGSA-N -1 3 300.399 2.715 20 0 DFADHM C[C@H]1CCC[C@H](CC[N-]S(=O)(=O)c2cncc(F)c2)C1 ZINC000360071281 428145659 /nfs/dbraw/zinc/14/56/59/428145659.db2.gz ZDHZIJJOSLHGAG-NWDGAFQWSA-N -1 3 300.399 2.715 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccccc1-c1ccno1)C(F)(F)F ZINC000341668061 428148013 /nfs/dbraw/zinc/14/80/13/428148013.db2.gz VGIISYUUYMNRIK-QMMMGPOBSA-N -1 3 320.292 2.571 20 0 DFADHM CC(C)CC[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(C)(C)C ZINC000360075651 428149158 /nfs/dbraw/zinc/14/91/58/428149158.db2.gz OWIVYKVLHPIOFX-GFCCVEGCSA-N -1 3 301.456 2.549 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)sc1Cl ZINC000352579343 428157655 /nfs/dbraw/zinc/15/76/55/428157655.db2.gz UAOYFKOHJUDIME-JTQLQIEISA-N -1 3 323.867 2.539 20 0 DFADHM [O-]c1ccc(F)c(CNCc2cccc(-n3cncn3)c2)c1F ZINC000352591246 428162057 /nfs/dbraw/zinc/16/20/57/428162057.db2.gz VIWXUGVXFLPWCN-UHFFFAOYSA-N -1 3 316.311 2.541 20 0 DFADHM CCO[C@@H](C)C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000370239038 428164574 /nfs/dbraw/zinc/16/45/74/428164574.db2.gz RFPSAYSPJJUARQ-NSHDSACASA-N -1 3 301.346 2.521 20 0 DFADHM C[C@@H]1c2nncn2CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356407777 428164533 /nfs/dbraw/zinc/16/45/33/428164533.db2.gz QBCVUDDLOMCGQM-SECBINFHSA-N -1 3 312.295 2.579 20 0 DFADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000346424740 428166772 /nfs/dbraw/zinc/16/67/72/428166772.db2.gz CDKKWZMHTQOAOQ-JHJVBQTASA-N -1 3 312.435 2.583 20 0 DFADHM Cc1nc(C)c(CC(=O)N2CCc3cc(Cl)ccc32)c(=O)[n-]1 ZINC000341716355 428166737 /nfs/dbraw/zinc/16/67/37/428166737.db2.gz XFUFVLRCBNIGTQ-UHFFFAOYSA-N -1 3 317.776 2.584 20 0 DFADHM CCc1ncsc1C(=O)[N-]c1cc(-c2cncc(C)c2)on1 ZINC000377600940 428168504 /nfs/dbraw/zinc/16/85/04/428168504.db2.gz OIVLCKIIEJMHRC-UHFFFAOYSA-N -1 3 314.370 3.316 20 0 DFADHM COc1nc(NC(=O)[C@@H](Sc2ccccc2)C(C)C)n[n-]1 ZINC000352645299 428180448 /nfs/dbraw/zinc/18/04/48/428180448.db2.gz PUVJWLGURLOSEY-NSHDSACASA-N -1 3 306.391 2.569 20 0 DFADHM COc1nnc(NC(=O)[C@@H](Sc2ccccc2)C(C)C)[n-]1 ZINC000352645299 428180452 /nfs/dbraw/zinc/18/04/52/428180452.db2.gz PUVJWLGURLOSEY-NSHDSACASA-N -1 3 306.391 2.569 20 0 DFADHM COc1n[n-]c(NC(=O)[C@@H](Sc2ccccc2)C(C)C)n1 ZINC000352645299 428180457 /nfs/dbraw/zinc/18/04/57/428180457.db2.gz PUVJWLGURLOSEY-NSHDSACASA-N -1 3 306.391 2.569 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](c2ccccc2)N(C)C)o1 ZINC000360147864 428180937 /nfs/dbraw/zinc/18/09/37/428180937.db2.gz IFGLKEQDEPQRKS-BBRMVZONSA-N -1 3 322.430 2.558 20 0 DFADHM Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000341880829 428240685 /nfs/dbraw/zinc/24/06/85/428240685.db2.gz GJBGJQGGKIJKLZ-SSDOTTSWSA-N -1 3 301.717 2.878 20 0 DFADHM CCCCS(=O)(=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000414226955 428238312 /nfs/dbraw/zinc/23/83/12/428238312.db2.gz WPDFGOPIIWNQPZ-UHFFFAOYSA-N -1 3 306.387 2.564 20 0 DFADHM CC(=O)N1CCC(CCC(=O)Nc2c(C)cccc2[O-])CC1 ZINC000352677156 428197719 /nfs/dbraw/zinc/19/77/19/428197719.db2.gz BUPZFRBGBQIWBK-UHFFFAOYSA-N -1 3 304.390 2.678 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC(c2cc[nH]n2)CC1 ZINC000377927109 428263730 /nfs/dbraw/zinc/26/37/30/428263730.db2.gz OKWYZINOBUIUJZ-UHFFFAOYSA-N -1 3 305.765 2.789 20 0 DFADHM COc1ccc([O-])c(C(=O)N2Cc3ccccc3O[C@H](C)C2)c1 ZINC000346676838 428267828 /nfs/dbraw/zinc/26/78/28/428267828.db2.gz RJBCBWITEMJWJD-GFCCVEGCSA-N -1 3 313.353 2.824 20 0 DFADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000356682994 428271277 /nfs/dbraw/zinc/27/12/77/428271277.db2.gz ACXBBVGAPOIBBX-LURJTMIESA-N -1 3 319.707 2.956 20 0 DFADHM NC(=O)[C@@H](NCc1cc([O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000352834423 428271834 /nfs/dbraw/zinc/27/18/34/428271834.db2.gz MBJWIUGJSRVKHE-AWEZNQCLSA-N -1 3 324.302 2.727 20 0 DFADHM [O-]c1cc(CNCc2nnc3ccccn32)cc(C(F)(F)F)c1 ZINC000352837107 428274259 /nfs/dbraw/zinc/27/42/59/428274259.db2.gz YSQKSDOFZSWHRJ-UHFFFAOYSA-N -1 3 322.290 2.744 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N1CC(Cc2ccccc2)C1 ZINC000378035661 428291230 /nfs/dbraw/zinc/29/12/30/428291230.db2.gz GRLSCGVNHCRUJZ-UHFFFAOYSA-N -1 3 314.360 2.915 20 0 DFADHM CC[C@@H](C)CS(=O)(=O)[N-][C@@H]1COc2cccc(Cl)c21 ZINC000341898104 428243838 /nfs/dbraw/zinc/24/38/38/428243838.db2.gz MWFKSEPPWWVKHW-MWLCHTKSSA-N -1 3 303.811 2.739 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2cn(C)nc2-c2ccccn2)c1 ZINC000370584221 428245959 /nfs/dbraw/zinc/24/59/59/428245959.db2.gz RYVZGTBUTCFJCG-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000370583972 428246704 /nfs/dbraw/zinc/24/67/04/428246704.db2.gz NBRBPZDKIKKRQT-QGZVFWFLSA-N -1 3 310.332 2.669 20 0 DFADHM CC[C@@H](C)c1cc(C(=O)[N-]c2ncc(C(=O)OC)s2)on1 ZINC000356622768 428257724 /nfs/dbraw/zinc/25/77/24/428257724.db2.gz CTAKYNJQQYPVFS-SSDOTTSWSA-N -1 3 309.347 2.684 20 0 DFADHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000360353299 428262891 /nfs/dbraw/zinc/26/28/91/428262891.db2.gz PKYKCKOKBJFSBN-UWVGGRQHSA-N -1 3 322.352 2.815 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2c(C)onc2CC)c([O-])c1 ZINC000356797188 428310647 /nfs/dbraw/zinc/31/06/47/428310647.db2.gz KKDPGODGBLNFGP-UHFFFAOYSA-N -1 3 318.329 2.680 20 0 DFADHM Cc1nc(C)c(CC(=O)N2CC3(CCC3)c3ccccc32)c(=O)[n-]1 ZINC000360496073 428321561 /nfs/dbraw/zinc/32/15/61/428321561.db2.gz PSFVFLFFTLYSCX-UHFFFAOYSA-N -1 3 323.396 2.810 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1sccc1C)c1nccs1 ZINC000360504494 428324458 /nfs/dbraw/zinc/32/44/58/428324458.db2.gz CXQPNQZYMYCWOZ-VIFPVBQESA-N -1 3 302.446 2.943 20 0 DFADHM O=C(Nc1n[nH]c2cc(F)ccc21)c1c[n-]nc1-c1ccccc1 ZINC000356832357 428328409 /nfs/dbraw/zinc/32/84/09/428328409.db2.gz CAZGJVYRABNJQV-UHFFFAOYSA-N -1 3 321.315 3.344 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)c1 ZINC000360517064 428329354 /nfs/dbraw/zinc/32/93/54/428329354.db2.gz WRDPOGSILMGHHJ-GFCCVEGCSA-N -1 3 317.426 2.600 20 0 DFADHM CC1(C)[C@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@H]2CCCO[C@@H]21 ZINC000360522866 428332656 /nfs/dbraw/zinc/33/26/56/428332656.db2.gz LJYHOUDXOYXXOU-DFBGVHRSSA-N -1 3 322.380 2.534 20 0 DFADHM C[C@H]1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)c2c([O-])cccc21 ZINC000356841020 428335017 /nfs/dbraw/zinc/33/50/17/428335017.db2.gz VMNOGWVYCPPKLA-KPZWWZAWSA-N -1 3 316.401 2.681 20 0 DFADHM CC[C@H]1CCCC[C@@H]1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000356859696 428338750 /nfs/dbraw/zinc/33/87/50/428338750.db2.gz CLLGWEJHHUHLQW-IUCAKERBSA-N -1 3 304.316 2.656 20 0 DFADHM CC[C@H]1CCCC[C@@H]1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000356859696 428338757 /nfs/dbraw/zinc/33/87/57/428338757.db2.gz CLLGWEJHHUHLQW-IUCAKERBSA-N -1 3 304.316 2.656 20 0 DFADHM CC[C@H]1CCCC[C@@H]1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000356859696 428338762 /nfs/dbraw/zinc/33/87/62/428338762.db2.gz CLLGWEJHHUHLQW-IUCAKERBSA-N -1 3 304.316 2.656 20 0 DFADHM CSc1ccc(C(=O)N2CC[C@H](n3cc(C)cn3)C2)c([O-])c1 ZINC000378075993 428303009 /nfs/dbraw/zinc/30/30/09/428303009.db2.gz WRJCYHJMVJVHGV-LBPRGKRZSA-N -1 3 317.414 2.706 20 0 DFADHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000414460385 428304713 /nfs/dbraw/zinc/30/47/13/428304713.db2.gz NCNHTYHGCHIWOX-UHFFFAOYSA-N -1 3 322.405 2.997 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000360674476 428395493 /nfs/dbraw/zinc/39/54/93/428395493.db2.gz UBTMGXRTFWBUQR-HVMFBIMJSA-N -1 3 324.380 2.694 20 0 DFADHM Cc1cc(C(=O)Nc2ccc3ccn(C)c(=O)c3c2)ccc1[O-] ZINC000357161913 428414545 /nfs/dbraw/zinc/41/45/45/428414545.db2.gz FXVOZENXPFTHNG-UHFFFAOYSA-N -1 3 308.337 2.805 20 0 DFADHM CCc1cc2c(CN3CCOC[C@H](C)C3)cc(=O)oc2cc1[O-] ZINC000371100589 428360058 /nfs/dbraw/zinc/36/00/58/428360058.db2.gz PGUMCOSWJYTUFQ-GFCCVEGCSA-N -1 3 317.385 2.529 20 0 DFADHM COc1cccc(COCCNCc2ccc(C(=O)[O-])cc2)c1 ZINC000414638780 428362610 /nfs/dbraw/zinc/36/26/10/428362610.db2.gz OQJWBDRHQPQWEY-UHFFFAOYSA-N -1 3 315.369 2.700 20 0 DFADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc(C(=O)OC)ccc1Cl ZINC000414679466 428372554 /nfs/dbraw/zinc/37/25/54/428372554.db2.gz JZSVIWVMKOZQLC-JTQLQIEISA-N -1 3 313.781 2.812 20 0 DFADHM Cc1nc(C)c(CC(=O)Nc2cccc3ccc(O)cc32)c(=O)[n-]1 ZINC000360628928 428374681 /nfs/dbraw/zinc/37/46/81/428374681.db2.gz WJWYNYOLPJTVQU-UHFFFAOYSA-N -1 3 323.352 2.839 20 0 DFADHM Cn1cc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)nn1 ZINC000342268056 428375767 /nfs/dbraw/zinc/37/57/67/428375767.db2.gz NPFQYDJRKYFDQA-UHFFFAOYSA-N -1 3 316.308 2.564 20 0 DFADHM 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ZINC000433248580 429015801 /nfs/dbraw/zinc/01/58/01/429015801.db2.gz SRVWXUXMFQWPLG-UHFFFAOYSA-N -1 3 321.793 2.843 20 0 DFADHM CSc1nc(NC(=O)Cc2c[nH]c3cccc(Cl)c23)n[n-]1 ZINC000433248580 429015806 /nfs/dbraw/zinc/01/58/06/429015806.db2.gz SRVWXUXMFQWPLG-UHFFFAOYSA-N -1 3 321.793 2.843 20 0 DFADHM CCOC1(CNC(=O)c2ccc(C(C)=O)c([O-])c2)CCCC1 ZINC000412357484 429023711 /nfs/dbraw/zinc/02/37/11/429023711.db2.gz FBJHHVPMNZEKQT-UHFFFAOYSA-N -1 3 305.374 2.674 20 0 DFADHM O=C(Nc1cccc(-n2ccnc2)c1)c1cc(F)cc2[n-]nnc21 ZINC000433319515 429024240 /nfs/dbraw/zinc/02/42/40/429024240.db2.gz OTZGLHCDKKOTSJ-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(Nc1cccc(-n2ccnc2)c1)c1cc(F)cc2nn[n-]c21 ZINC000433319515 429024246 /nfs/dbraw/zinc/02/42/46/429024246.db2.gz OTZGLHCDKKOTSJ-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(Nc1cccc(-n2ccnc2)c1)c1cc(F)cc2n[n-]nc21 ZINC000433319515 429024251 /nfs/dbraw/zinc/02/42/51/429024251.db2.gz OTZGLHCDKKOTSJ-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(C)cc(F)c2)o1 ZINC000451956703 429025971 /nfs/dbraw/zinc/02/59/71/429025971.db2.gz IDGWJFPHDRGQDM-UHFFFAOYSA-N -1 3 312.366 2.553 20 0 DFADHM CC(=O)c1ccc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[O-] ZINC000412378282 429029043 /nfs/dbraw/zinc/02/90/43/429029043.db2.gz DFIQZJVGTJNOPI-AGLNLLDASA-N -1 3 311.381 2.879 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](C(C)C)[C@H](CO)C(C)C)cc1[O-] ZINC000412381389 429029133 /nfs/dbraw/zinc/02/91/33/429029133.db2.gz TWEHYKWSKAXLOD-NVXWUHKLSA-N -1 3 321.417 2.614 20 0 DFADHM O=C(c1ccccc1[O-])N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000375791426 428975118 /nfs/dbraw/zinc/97/51/18/428975118.db2.gz KFKOCEMJAVVDFO-LBPRGKRZSA-N -1 3 313.357 2.672 20 0 DFADHM CCC1(CC)[C@@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C[C@@H]1OC ZINC000412190196 428978692 /nfs/dbraw/zinc/97/86/92/428978692.db2.gz FOESMUMDFKKELZ-HOTGVXAUSA-N -1 3 319.401 2.918 20 0 DFADHM CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)OC ZINC000451802397 428979885 /nfs/dbraw/zinc/97/98/85/428979885.db2.gz LRKFIWBQUFYYMA-LBPRGKRZSA-N -1 3 309.790 2.573 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCNC[C@@H]2c2cccc(F)c2)c1 ZINC000423620404 428983511 /nfs/dbraw/zinc/98/35/11/428983511.db2.gz WROIKVPYYBACHU-MRXNPFEDSA-N -1 3 314.360 2.626 20 0 DFADHM CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@@H]1CCSC1 ZINC000412218728 428986902 /nfs/dbraw/zinc/98/69/02/428986902.db2.gz SMLZJWHZQVCVEU-SECBINFHSA-N -1 3 322.817 2.759 20 0 DFADHM Cc1ccnc([C@H]([N-]S(=O)(=O)CC2CCCCC2)C2CC2)n1 ZINC000349445955 428988444 /nfs/dbraw/zinc/98/84/44/428988444.db2.gz KKXOVWQDOLMSBE-OAHLLOKOSA-N -1 3 323.462 2.736 20 0 DFADHM COc1ccc(C)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000433108387 428995949 /nfs/dbraw/zinc/99/59/49/428995949.db2.gz GRMABZGFNJYVJT-UHFFFAOYSA-N -1 3 300.293 2.666 20 0 DFADHM COc1ccc(C)cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000433108387 428995956 /nfs/dbraw/zinc/99/59/56/428995956.db2.gz GRMABZGFNJYVJT-UHFFFAOYSA-N -1 3 300.293 2.666 20 0 DFADHM COc1ccc(C)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000433108387 428995962 /nfs/dbraw/zinc/99/59/62/428995962.db2.gz GRMABZGFNJYVJT-UHFFFAOYSA-N -1 3 300.293 2.666 20 0 DFADHM CC[C@@H]1C[C@H]1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000451845338 428997418 /nfs/dbraw/zinc/99/74/18/428997418.db2.gz UUUOSNPNUSMAAN-MWLCHTKSSA-N -1 3 304.781 2.542 20 0 DFADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000354737192 429007994 /nfs/dbraw/zinc/00/79/94/429007994.db2.gz IWYIKJMCTGLKRV-YUMQZZPRSA-N -1 3 322.199 2.523 20 0 DFADHM CCO[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000412410930 429036046 /nfs/dbraw/zinc/03/60/46/429036046.db2.gz PZTYWEFWYZEZSK-HZPDHXFCSA-N -1 3 314.385 2.606 20 0 DFADHM Cc1onc(-c2cccnc2)c1C(=O)Nc1nc(C)ccc1[O-] ZINC000376144607 429064914 /nfs/dbraw/zinc/06/49/14/429064914.db2.gz YPCWDFPCBJBTEE-UHFFFAOYSA-N -1 3 310.313 2.706 20 0 DFADHM C[C@@H]1[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)[C@H]1c1ccccc1 ZINC000435576217 429148041 /nfs/dbraw/zinc/14/80/41/429148041.db2.gz GCSHHIQVMZWKGY-SFGNSQDASA-N -1 3 310.279 2.812 20 0 DFADHM C[C@@H]1[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)[C@H]1c1ccccc1 ZINC000435576217 429148044 /nfs/dbraw/zinc/14/80/44/429148044.db2.gz GCSHHIQVMZWKGY-SFGNSQDASA-N -1 3 310.279 2.812 20 0 DFADHM CCc1cc(C(=O)N[C@H](C)c2ccncc2OC)ccc1[O-] ZINC000487371765 429151887 /nfs/dbraw/zinc/15/18/87/429151887.db2.gz WONLVHBOLZBRSW-LLVKDONJSA-N -1 3 300.358 2.849 20 0 DFADHM CCc1cc(C(=O)NCc2ccc(OC(F)F)cn2)ccc1[O-] ZINC000487496302 429156080 /nfs/dbraw/zinc/15/60/80/429156080.db2.gz BPEQUIYAFBYOQK-UHFFFAOYSA-N -1 3 322.311 2.881 20 0 DFADHM C[C@H]1CCCN(Cc2ncccc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000424265801 429116792 /nfs/dbraw/zinc/11/67/92/429116792.db2.gz ILROQUQBMCLXML-CABZTGNLSA-N -1 3 302.296 2.786 20 0 DFADHM O=C(NCc1noc(-c2ccccc2F)n1)c1ccccc1[O-] ZINC000376557739 429134944 /nfs/dbraw/zinc/13/49/44/429134944.db2.gz UJVQMYNINOZYAA-UHFFFAOYSA-N -1 3 313.288 2.511 20 0 DFADHM C[C@@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)[C@H]1C(=O)[O-] ZINC000424418885 429138045 /nfs/dbraw/zinc/13/80/45/429138045.db2.gz NYJQHSLGQVHQRB-MLGOLLRUSA-N -1 3 317.364 2.697 20 0 DFADHM O=C([O-])[C@@H]1CC[C@H](NCc2ccc(Br)cc2F)C1 ZINC000424620285 429165811 /nfs/dbraw/zinc/16/58/11/429165811.db2.gz OJJGDZQNCQSASM-KCJUWKMLSA-N -1 3 316.170 2.931 20 0 DFADHM [O-]c1cc(F)cc(CN2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000372221309 275060523 /nfs/dbraw/zinc/06/05/23/275060523.db2.gz ICAJYBHVKAJHDK-QGZVFWFLSA-N -1 3 305.324 2.764 20 0 DFADHM Fc1cccc2[nH]c(C[N-]c3nnc([C@H]4CCCO4)o3)cc21 ZINC000436018817 429176321 /nfs/dbraw/zinc/17/63/21/429176321.db2.gz LNNUIGODHJZTRZ-CYBMUJFWSA-N -1 3 302.309 3.154 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(N3CCOC3=O)cc2)ccc1[O-] ZINC000495186118 429183629 /nfs/dbraw/zinc/18/36/29/429183629.db2.gz CSVNPSFUJNAENZ-UHFFFAOYSA-N -1 3 312.325 2.910 20 0 DFADHM C[C@@]1(C(=O)NCc2ccc([O-])c(Br)c2)C[C@@H]1F ZINC000424743594 429184482 /nfs/dbraw/zinc/18/44/82/429184482.db2.gz TWEFMLZAQGFGTR-CMPLNLGQSA-N -1 3 302.143 2.519 20 0 DFADHM Cc1onc(NC(=O)Nc2ccc([O-])c(COC(C)C)c2)c1C ZINC000455659771 429193689 /nfs/dbraw/zinc/19/36/89/429193689.db2.gz WBFVJCIIXWJGCN-UHFFFAOYSA-N -1 3 319.361 3.566 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2nc3cc(F)ccc3[nH]2)c1 ZINC000488940808 429208505 /nfs/dbraw/zinc/20/85/05/429208505.db2.gz JUBDTQNCYSWPEX-UHFFFAOYSA-N -1 3 301.277 2.669 20 0 DFADHM COC[C@@H](NC(=O)c1cccc(OC)c1[O-])c1ccc(F)cc1 ZINC000437755393 429208983 /nfs/dbraw/zinc/20/89/83/429208983.db2.gz DHBQETATDFKLFN-CQSZACIVSA-N -1 3 319.332 2.657 20 0 DFADHM COc1cccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000364519076 429219329 /nfs/dbraw/zinc/21/93/29/429219329.db2.gz INLYUXBKIPJADF-NSHDSACASA-N -1 3 323.356 2.618 20 0 DFADHM COc1cccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000364519076 429219333 /nfs/dbraw/zinc/21/93/33/429219333.db2.gz INLYUXBKIPJADF-NSHDSACASA-N -1 3 323.356 2.618 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)[N-]OC[C@H]2CCOC2)o1 ZINC000364545719 429222068 /nfs/dbraw/zinc/22/20/68/429222068.db2.gz JRWOGFSNGGTSBD-HTOAHKCRSA-N -1 3 305.374 2.591 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC(CC(F)F)C3)c[n-]c12 ZINC000425082031 429231507 /nfs/dbraw/zinc/23/15/07/429231507.db2.gz NATGBQIEZXCJKV-UHFFFAOYSA-N -1 3 324.302 2.703 20 0 DFADHM [O-]c1ccc(CNc2ncc(Cl)cn2)cc1Br ZINC000436565961 429199608 /nfs/dbraw/zinc/19/96/08/429199608.db2.gz SJWKKTYFYQBLKC-UHFFFAOYSA-N -1 3 314.570 3.210 20 0 DFADHM CCC[C@](C)(O)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442816930 429236426 /nfs/dbraw/zinc/23/64/26/429236426.db2.gz YSNMWLOFBMAPDI-LBPRGKRZSA-N -1 3 307.268 2.780 20 0 DFADHM CCc1cc(C(=O)N[C@H](C(C)C)[C@H](CO)C(C)C)ccc1[O-] ZINC000456148798 429248867 /nfs/dbraw/zinc/24/88/67/429248867.db2.gz MOVAQMZNNDRHEM-NVXWUHKLSA-N -1 3 307.434 2.974 20 0 DFADHM O=C(CSCC(=O)Nc1ccccc1[O-])Nc1ccccc1 ZINC000443410770 429249608 /nfs/dbraw/zinc/24/96/08/429249608.db2.gz BGXNGBGNTNAAPU-UHFFFAOYSA-N -1 3 316.382 2.703 20 0 DFADHM CC(C)c1noc(=NC2CCN([C@H](C)c3ccncc3)CC2)[n-]1 ZINC000425234799 429250109 /nfs/dbraw/zinc/25/01/09/429250109.db2.gz HVSXWFKRTYRHTC-CYBMUJFWSA-N -1 3 315.421 2.647 20 0 DFADHM CNC(=O)Oc1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000495769068 429262369 /nfs/dbraw/zinc/26/23/69/429262369.db2.gz JMTMWQNTUXCRLE-UHFFFAOYSA-N -1 3 300.314 2.671 20 0 DFADHM COc1nc(NC(=O)C[C@@H]2C[C@H](C)c3c2cccc3C)n[n-]1 ZINC000489963562 429270573 /nfs/dbraw/zinc/27/05/73/429270573.db2.gz JZCGKTBNGGBXOQ-QWRGUYRKSA-N -1 3 300.362 2.741 20 0 DFADHM COc1nnc(NC(=O)C[C@@H]2C[C@H](C)c3c2cccc3C)[n-]1 ZINC000489963562 429270577 /nfs/dbraw/zinc/27/05/77/429270577.db2.gz JZCGKTBNGGBXOQ-QWRGUYRKSA-N -1 3 300.362 2.741 20 0 DFADHM COc1n[n-]c(NC(=O)C[C@@H]2C[C@H](C)c3c2cccc3C)n1 ZINC000489963562 429270580 /nfs/dbraw/zinc/27/05/80/429270580.db2.gz JZCGKTBNGGBXOQ-QWRGUYRKSA-N -1 3 300.362 2.741 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000456316312 429275510 /nfs/dbraw/zinc/27/55/10/429275510.db2.gz KIMZOZROSHAAHE-KFWWJZLASA-N -1 3 303.402 2.578 20 0 DFADHM CC[C@@H](C)CS(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000502457920 429329374 /nfs/dbraw/zinc/32/93/74/429329374.db2.gz REZKSTQAQKWJEO-CHWSQXEVSA-N -1 3 321.483 2.708 20 0 DFADHM Cc1ccccc1NC1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000365546737 429337871 /nfs/dbraw/zinc/33/78/71/429337871.db2.gz MRGVNIGFEZENLI-UHFFFAOYSA-N -1 3 317.414 2.874 20 0 DFADHM CO[C@@H](CCNC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000505289995 429338263 /nfs/dbraw/zinc/33/82/63/429338263.db2.gz NDCNUZUZALHDLA-JTQLQIEISA-N -1 3 311.687 2.743 20 0 DFADHM CCC(CC)(C[N-]S(=O)(=O)c1c(C)cccc1F)OC ZINC000490516962 429291119 /nfs/dbraw/zinc/29/11/19/429291119.db2.gz MAQUHKDDXUTUFY-UHFFFAOYSA-N -1 3 303.399 2.618 20 0 DFADHM C[C@H](c1ccccc1)N(Cc1nc(=O)n(C)[n-]1)C1CCCC1 ZINC000425440844 429297244 /nfs/dbraw/zinc/29/72/44/429297244.db2.gz CJCAUPCLKYJAPR-CYBMUJFWSA-N -1 3 300.406 2.614 20 0 DFADHM O=C(NCc1ncccc1[O-])NC[C@H]1CCCCC(F)(F)C1 ZINC000490731088 429302793 /nfs/dbraw/zinc/30/27/93/429302793.db2.gz ONKVGHJBSFFXKR-NSHDSACASA-N -1 3 313.348 2.802 20 0 DFADHM O=C([N-]c1cc(-c2cccc(F)c2)on1)c1ccncc1F ZINC000448545348 429313242 /nfs/dbraw/zinc/31/32/42/429313242.db2.gz ZEKNCHQOCODSQD-UHFFFAOYSA-N -1 3 301.252 3.267 20 0 DFADHM CCc1cc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)ccc1[O-] ZINC000365895051 429397836 /nfs/dbraw/zinc/39/78/36/429397836.db2.gz LGOGRVQFLPLHQC-OAHLLOKOSA-N -1 3 313.401 2.838 20 0 DFADHM COc1nc2ccccc2cc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000517891720 429402808 /nfs/dbraw/zinc/40/28/08/429402808.db2.gz QBCAGFPCZVCQHS-QGZVFWFLSA-N -1 3 300.358 2.540 20 0 DFADHM CCc1ccc(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])o1 ZINC000426654814 429406072 /nfs/dbraw/zinc/40/60/72/429406072.db2.gz OTGGEYXNLOBFNB-HNNXBMFYSA-N -1 3 307.321 2.603 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000518051507 429409129 /nfs/dbraw/zinc/40/91/29/429409129.db2.gz OHUKGAJCZBDIFJ-OAHLLOKOSA-N -1 3 301.317 2.957 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@]2(CCSC2)C1 ZINC000456854732 429356620 /nfs/dbraw/zinc/35/66/20/429356620.db2.gz XPZAMROTVQEGLO-INIZCTEOSA-N -1 3 309.406 2.820 20 0 DFADHM NC(=O)[N-]C(=O)OCCCSc1ccnc2ccccc21 ZINC000491487325 429365166 /nfs/dbraw/zinc/36/51/66/429365166.db2.gz BMJOMOBRVLATCO-UHFFFAOYSA-N -1 3 305.359 2.522 20 0 DFADHM COc1ccc(Cl)cc1C=CC(=O)Nc1nnc(SC)[n-]1 ZINC000491508655 429367463 /nfs/dbraw/zinc/36/74/63/429367463.db2.gz ZAISFLMGVSWKBW-UTCJRWHESA-N -1 3 324.793 2.841 20 0 DFADHM COc1ccc(Cl)cc1C=CC(=O)Nc1nc(SC)n[n-]1 ZINC000491508655 429367468 /nfs/dbraw/zinc/36/74/68/429367468.db2.gz ZAISFLMGVSWKBW-UTCJRWHESA-N -1 3 324.793 2.841 20 0 DFADHM COc1ccc(Cl)cc1C=CC(=O)Nc1n[n-]c(SC)n1 ZINC000491508655 429367471 /nfs/dbraw/zinc/36/74/71/429367471.db2.gz ZAISFLMGVSWKBW-UTCJRWHESA-N -1 3 324.793 2.841 20 0 DFADHM Fc1cc2c(c(F)c1F)[C@H]([N-]c1nnc(C(F)F)o1)CC2 ZINC000514711273 429367693 /nfs/dbraw/zinc/36/76/93/429367693.db2.gz LQIWDKQVWFMBLK-ZCFIWIBFSA-N -1 3 305.206 3.524 20 0 DFADHM C[C@H](O[N-]C(=O)[C@@]1(N(C)C)CCCSC1)c1ccccc1 ZINC000365767346 429369166 /nfs/dbraw/zinc/36/91/66/429369166.db2.gz YFKLMYMJRRGGKA-XJKSGUPXSA-N -1 3 308.447 2.623 20 0 DFADHM O=C([O-])Cc1ccccc1CNCc1ccc(-n2cccn2)cc1 ZINC000426713327 429410418 /nfs/dbraw/zinc/41/04/18/429410418.db2.gz DXYCDJABCAFJFQ-UHFFFAOYSA-N -1 3 321.380 2.789 20 0 DFADHM Cn1ncc2c1ncc(C(=O)N1CC[C@H](CC(C)(C)C)C1)c2[O-] ZINC000457041762 429382176 /nfs/dbraw/zinc/38/21/76/429382176.db2.gz GBAVKGAXZVUFFJ-LLVKDONJSA-N -1 3 316.405 2.572 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)ccc1[O-] ZINC000426364317 429384743 /nfs/dbraw/zinc/38/47/43/429384743.db2.gz YSOGXBCPNLIRRI-AWEZNQCLSA-N -1 3 301.317 2.573 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(F)cc1F ZINC000365843160 429385774 /nfs/dbraw/zinc/38/57/74/429385774.db2.gz JNQOWDWKKXNAJC-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(F)cc1F ZINC000365843160 429385778 /nfs/dbraw/zinc/38/57/78/429385778.db2.gz JNQOWDWKKXNAJC-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM COC(=O)[C@H](CC1CCCCC1)NCc1nc(C)ccc1[O-] ZINC000426368832 429386843 /nfs/dbraw/zinc/38/68/43/429386843.db2.gz BTOQEEABWIXSQV-AWEZNQCLSA-N -1 3 306.406 2.697 20 0 DFADHM Cc1ncc(CNC(=O)N[C@H](C)[C@H]2CC3CCC2CC3)c(=O)[n-]1 ZINC000518988351 429443500 /nfs/dbraw/zinc/44/35/00/429443500.db2.gz WICNMVZJAAOXJN-DPBOGPHSSA-N -1 3 318.421 2.505 20 0 DFADHM C[C@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000366267472 429444865 /nfs/dbraw/zinc/44/48/65/429444865.db2.gz QVWSCTWSVRVWAV-ZANVPECISA-N -1 3 322.361 2.590 20 0 DFADHM COC1(CNC(=O)/C=C/c2cncc([O-])c2)CCC(C)CC1 ZINC000492000657 429447760 /nfs/dbraw/zinc/44/77/60/429447760.db2.gz DTFGKBKLQIKDCK-ONEGZZNKSA-N -1 3 304.390 2.512 20 0 DFADHM CCN(C)C(=O)[C@@H]([N-]c1nc2cc(OC)ccc2o1)C(C)C ZINC000519147413 429448055 /nfs/dbraw/zinc/44/80/55/429448055.db2.gz OAURCFUVFCUPRN-AWEZNQCLSA-N -1 3 305.378 2.751 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N[C@H]1CCOc2c(F)cccc21 ZINC000492007231 429449323 /nfs/dbraw/zinc/44/93/23/429449323.db2.gz WPEQHEHMEBPVQJ-XVWMLYKFSA-N -1 3 314.316 2.580 20 0 DFADHM O=C([O-])c1cnccc1N1CCN(C/C=C\c2ccccc2)CC1 ZINC000519161688 429449805 /nfs/dbraw/zinc/44/98/05/429449805.db2.gz LVDLIQIISDXIOB-DAXSKMNVSA-N -1 3 323.396 2.615 20 0 DFADHM COCCCCCOC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000492044501 429458055 /nfs/dbraw/zinc/45/80/55/429458055.db2.gz HFAOEDWJDYGPCX-UHFFFAOYSA-N -1 3 311.334 2.544 20 0 DFADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1(F)F ZINC000427654722 429462465 /nfs/dbraw/zinc/46/24/65/429462465.db2.gz OQLOFHVHIXPEJO-JTQLQIEISA-N -1 3 306.312 2.645 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000519534861 429463789 /nfs/dbraw/zinc/46/37/89/429463789.db2.gz OQGLDVZOOILIMN-PBHICJAKSA-N -1 3 301.386 2.522 20 0 DFADHM O=C(NC[C@H]1CCCC1(F)F)c1c[n-]nc1-c1ccccn1 ZINC000519580065 429466445 /nfs/dbraw/zinc/46/64/45/429466445.db2.gz VVBGLUCPFVIRJH-SNVBAGLBSA-N -1 3 306.316 2.637 20 0 DFADHM Cc1cnn(C[C@H](NCc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000426721653 429412139 /nfs/dbraw/zinc/41/21/39/429412139.db2.gz CRPHGTPWKQCPSH-KRWDZBQOSA-N -1 3 309.369 2.588 20 0 DFADHM Cc1cc(C)n(C[C@H](NCc2ccc(C(C)C)cc2)C(=O)[O-])n1 ZINC000426722564 429412180 /nfs/dbraw/zinc/41/21/80/429412180.db2.gz WLOVQIBWSVOEHE-KRWDZBQOSA-N -1 3 315.417 2.866 20 0 DFADHM O=C([O-])CN(Cc1c(F)cccc1Cl)C1CCOCC1 ZINC000518193349 429412918 /nfs/dbraw/zinc/41/29/18/429412918.db2.gz WACOHDVLAXGNQH-UHFFFAOYSA-N -1 3 301.745 2.545 20 0 DFADHM CCCSC[C@@H](NCc1c[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000426761400 429413348 /nfs/dbraw/zinc/41/33/48/429413348.db2.gz AIHOTPDZGVDEPA-CQSZACIVSA-N -1 3 319.430 2.763 20 0 DFADHM CCCSC[C@@H](NCc1cnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000426761400 429413353 /nfs/dbraw/zinc/41/33/53/429413353.db2.gz AIHOTPDZGVDEPA-CQSZACIVSA-N -1 3 319.430 2.763 20 0 DFADHM COc1ccc(-c2nc(CN[C@@H](C)[C@@H](C)C(=O)[O-])co2)cc1 ZINC000518200059 429414959 /nfs/dbraw/zinc/41/49/59/429414959.db2.gz HJBHYQWKQMPMPI-MNOVXSKESA-N -1 3 304.346 2.549 20 0 DFADHM Cc1ccccc1[C@@H](CC(=O)[O-])NCc1ccc2c(c1)nnn2C ZINC000426789953 429417205 /nfs/dbraw/zinc/41/72/05/429417205.db2.gz YXIGBCZZBJHHPI-OAHLLOKOSA-N -1 3 324.384 2.582 20 0 DFADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc(OC)c1 ZINC000426816722 429418700 /nfs/dbraw/zinc/41/87/00/429418700.db2.gz MBWXPFVXHLXPEO-INIZCTEOSA-N -1 3 319.332 2.758 20 0 DFADHM COc1ccc(CN[C@@H](CC(=O)[O-])C(C)C)c(Cl)c1OC ZINC000426827682 429418738 /nfs/dbraw/zinc/41/87/38/429418738.db2.gz JBTREYYYOLCAAE-NSHDSACASA-N -1 3 315.797 2.946 20 0 DFADHM O=C([O-])c1ccc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)nc1 ZINC000518386961 429419558 /nfs/dbraw/zinc/41/95/58/429419558.db2.gz SCHYNRKQOFFUTB-AWEZNQCLSA-N -1 3 314.360 2.984 20 0 DFADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1cn[n-]c1-c1ccsc1 ZINC000426867874 429420596 /nfs/dbraw/zinc/42/05/96/429420596.db2.gz XOQMNXKQXOFZDJ-UHFFFAOYSA-N -1 3 324.365 2.634 20 0 DFADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1c[n-]nc1-c1ccsc1 ZINC000426867874 429420602 /nfs/dbraw/zinc/42/06/02/429420602.db2.gz XOQMNXKQXOFZDJ-UHFFFAOYSA-N -1 3 324.365 2.634 20 0 DFADHM C[C@@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000518466116 429422736 /nfs/dbraw/zinc/42/27/36/429422736.db2.gz LQJOOWBFJDJDPU-VIFPVBQESA-N -1 3 323.418 2.719 20 0 DFADHM C[C@H](CC(C)(C)C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000457231908 429430243 /nfs/dbraw/zinc/43/02/43/429430243.db2.gz RDUMABMJZKSNGN-LLVKDONJSA-N -1 3 312.435 2.613 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(SC(C)C)cc1 ZINC000427136987 429432710 /nfs/dbraw/zinc/43/27/10/429432710.db2.gz NTNRLBQSWGMAMD-UHFFFAOYSA-N -1 3 319.386 2.949 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2Cc3ccc(F)cc3C(=O)O2)c([O-])c1 ZINC000366219662 429435848 /nfs/dbraw/zinc/43/58/48/429435848.db2.gz AGUGBVPOVOLKHD-HNNXBMFYSA-N -1 3 315.300 2.560 20 0 DFADHM O=C(NC[C@@H]1CCCc2ccccc21)c1cc(F)cc2nn[n-]c21 ZINC000518881203 429437087 /nfs/dbraw/zinc/43/70/87/429437087.db2.gz GYAOFEDKRCTSAR-LBPRGKRZSA-N -1 3 324.359 2.947 20 0 DFADHM O=C(NC[C@@H]1CCCc2ccccc21)c1cc(F)cc2[n-]nnc21 ZINC000518881203 429437094 /nfs/dbraw/zinc/43/70/94/429437094.db2.gz GYAOFEDKRCTSAR-LBPRGKRZSA-N -1 3 324.359 2.947 20 0 DFADHM O=C(NC[C@@H]1CCCc2ccccc21)c1cc(F)cc2n[n-]nc21 ZINC000518881203 429437096 /nfs/dbraw/zinc/43/70/96/429437096.db2.gz GYAOFEDKRCTSAR-LBPRGKRZSA-N -1 3 324.359 2.947 20 0 DFADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCOC1 ZINC000457786511 429527546 /nfs/dbraw/zinc/52/75/46/429527546.db2.gz HCZNILILKQIMEO-UHFFFAOYSA-N -1 3 311.381 2.997 20 0 DFADHM CCN(Cc1cccc(F)c1)C(=O)/C=C/c1cncc([O-])c1 ZINC000492399992 429529587 /nfs/dbraw/zinc/52/95/87/429529587.db2.gz QATOWBCPEQCETN-VOTSOKGWSA-N -1 3 300.333 2.988 20 0 DFADHM O=C([O-])c1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)nc1 ZINC000519699737 429478785 /nfs/dbraw/zinc/47/87/85/429478785.db2.gz BHWGXGFODOFHHI-INIZCTEOSA-N -1 3 304.390 2.703 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000449876023 429530070 /nfs/dbraw/zinc/53/00/70/429530070.db2.gz GQYXNWKKAVGKBJ-MDZLAQPJSA-N -1 3 303.358 2.944 20 0 DFADHM CC(=O)N1CC[C@H](NC(=O)c2cccc([O-])c2)c2ccccc21 ZINC000378553992 275773337 /nfs/dbraw/zinc/77/33/37/275773337.db2.gz AASADAKBKDPBDU-INIZCTEOSA-N -1 3 310.353 2.620 20 0 DFADHM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CCCCC(=O)[O-] ZINC000519772560 429487014 /nfs/dbraw/zinc/48/70/14/429487014.db2.gz LFOIFHNHOPSCPJ-CABCVRRESA-N -1 3 311.422 2.685 20 0 DFADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(C)nc(=O)[n-]3)C2)cc1 ZINC000428318617 429509054 /nfs/dbraw/zinc/50/90/54/429509054.db2.gz BVXFLFAXYAFLAA-ZFWWWQNUSA-N -1 3 311.385 2.817 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)C(C)(C)OC(C)C)n[n-]1 ZINC000449802933 429515126 /nfs/dbraw/zinc/51/51/26/429515126.db2.gz MKHQFZJBXRRWIR-UHFFFAOYSA-N -1 3 318.377 2.622 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)Nc1nc2c(s1)C(=O)CCC2 ZINC000449842195 429523673 /nfs/dbraw/zinc/52/36/73/429523673.db2.gz YCHJRZJBBYYIJI-UHFFFAOYSA-N -1 3 320.345 2.688 20 0 DFADHM CC(C)(C)c1cnc(CNC(=O)Cc2ccc([O-])c(F)c2)o1 ZINC000450014085 429554759 /nfs/dbraw/zinc/55/47/59/429554759.db2.gz AEBSWTPVOIYXHU-UHFFFAOYSA-N -1 3 306.337 2.676 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000492516512 429556048 /nfs/dbraw/zinc/55/60/48/429556048.db2.gz BSWHPOVBHXLLPK-CZXSNVBGSA-N -1 3 324.380 2.837 20 0 DFADHM CC(C)(CNC(=O)/C=C\c1cncc([O-])c1)Oc1ccccc1 ZINC000492522128 429557569 /nfs/dbraw/zinc/55/75/69/429557569.db2.gz SFLOXPHPDUCSEV-HJWRWDBZSA-N -1 3 312.369 2.774 20 0 DFADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1ncc(F)cc1F ZINC000428925620 429559873 /nfs/dbraw/zinc/55/98/73/429559873.db2.gz HDUZYHRSLYHWGS-UHFFFAOYSA-N -1 3 310.231 2.538 20 0 DFADHM CC(=O)NC[C@H](CC(=O)Nc1cc(F)ccc1[O-])CC(C)C ZINC000450040299 429560604 /nfs/dbraw/zinc/56/06/04/429560604.db2.gz FQSKAZGJZUMHMI-LBPRGKRZSA-N -1 3 310.369 2.658 20 0 DFADHM CO[C@]1(C)C[C@@H](N(C)C(=O)Cc2ccc([O-])c(F)c2)C1(C)C ZINC000450053479 429561376 /nfs/dbraw/zinc/56/13/76/429561376.db2.gz RFNMQPJKAZSQDY-RHSMWYFYSA-N -1 3 309.381 2.736 20 0 DFADHM CO[C@@]1(C)C[C@@H](N(C)C(=O)Cc2ccc([O-])c(F)c2)C1(C)C ZINC000450053478 429562187 /nfs/dbraw/zinc/56/21/87/429562187.db2.gz RFNMQPJKAZSQDY-PBHICJAKSA-N -1 3 309.381 2.736 20 0 DFADHM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000492553615 429564659 /nfs/dbraw/zinc/56/46/59/429564659.db2.gz RQIWAIJSYGXVTR-MERHEKELSA-N -1 3 309.369 2.805 20 0 DFADHM O=C(/C=C\c1csc(Br)c1)[N-]OCC(F)F ZINC000492568993 429568645 /nfs/dbraw/zinc/56/86/45/429568645.db2.gz YFDAGQMQALKTSS-UPHRSURJSA-N -1 3 312.135 2.837 20 0 DFADHM COc1cccc(/C=C\C(=O)[N-]OCc2ccccc2OC)c1 ZINC000492575823 429570121 /nfs/dbraw/zinc/57/01/21/429570121.db2.gz MVFJZYGKBJRMSM-KHPPLWFESA-N -1 3 313.353 2.965 20 0 DFADHM CCOc1cccc(CCNC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000450180121 429575636 /nfs/dbraw/zinc/57/56/36/429575636.db2.gz YTRGJOPSUJFHEU-UHFFFAOYSA-N -1 3 317.360 2.831 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)[n-]c21 ZINC000450188327 429577159 /nfs/dbraw/zinc/57/71/59/429577159.db2.gz MZATYFBFDGPGOB-SCVCMEIPSA-N -1 3 313.357 2.724 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)nc21 ZINC000450188327 429577164 /nfs/dbraw/zinc/57/71/64/429577164.db2.gz MZATYFBFDGPGOB-SCVCMEIPSA-N -1 3 313.357 2.724 20 0 DFADHM Cc1ccc(C2=NO[C@H](CNC(=O)c3cccc([O-])c3)C2)cc1 ZINC000367119004 429580489 /nfs/dbraw/zinc/58/04/89/429580489.db2.gz LHFRXOOSINRBNR-INIZCTEOSA-N -1 3 310.353 2.624 20 0 DFADHM Cc1cc(/C=C\C(=O)[N-]O[C@H]2CCOC2)ccc1OC(C)C ZINC000492646392 429587019 /nfs/dbraw/zinc/58/70/19/429587019.db2.gz NGWRCWNMPHLOOU-PKYBCLHXSA-N -1 3 305.374 2.632 20 0 DFADHM COc1ccc(C(=O)NCCc2nc3ccccc3o2)c([O-])c1 ZINC000520855901 429531869 /nfs/dbraw/zinc/53/18/69/429531869.db2.gz TWLSRSCDQNOBLC-UHFFFAOYSA-N -1 3 312.325 2.515 20 0 DFADHM CCc1nc(C)c(NC(=O)c2c(C)[n-]c(=O)nc2SC)s1 ZINC000428526344 429534005 /nfs/dbraw/zinc/53/40/05/429534005.db2.gz RYOQRXBTUVPCSO-UHFFFAOYSA-N -1 3 324.431 2.792 20 0 DFADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccccc1OC1CC1)CC2 ZINC000521055939 429537148 /nfs/dbraw/zinc/53/71/48/429537148.db2.gz JKQCSCUBIFGUMJ-HNNXBMFYSA-N -1 3 301.386 2.915 20 0 DFADHM O=C(C=Cc1cncc([O-])c1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000492449909 429540356 /nfs/dbraw/zinc/54/03/56/429540356.db2.gz ZAEJJBISWREUDI-PLNGDYQASA-N -1 3 306.325 2.829 20 0 DFADHM CN(Cc1n[n-]c(=O)s1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000366930389 429541423 /nfs/dbraw/zinc/54/14/23/429541423.db2.gz BAGSNUFXKHOHGQ-MRXNPFEDSA-N -1 3 317.414 2.714 20 0 DFADHM CC(C)OC(C)(C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000449940464 429542393 /nfs/dbraw/zinc/54/23/93/429542393.db2.gz RJHKXFHXYJWNSR-UHFFFAOYSA-N -1 3 324.331 2.892 20 0 DFADHM CC(C)OC(C)(C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000449940464 429542397 /nfs/dbraw/zinc/54/23/97/429542397.db2.gz RJHKXFHXYJWNSR-UHFFFAOYSA-N -1 3 324.331 2.892 20 0 DFADHM CC(C)OC(C)(C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000449940464 429542399 /nfs/dbraw/zinc/54/23/99/429542399.db2.gz RJHKXFHXYJWNSR-UHFFFAOYSA-N -1 3 324.331 2.892 20 0 DFADHM C[C@@H](COc1cccc(F)c1)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492474867 429547057 /nfs/dbraw/zinc/54/70/57/429547057.db2.gz PMJIHEJYWOJOOC-FJOGCWAESA-N -1 3 316.332 2.523 20 0 DFADHM C[C@H]1CN(C(=O)/C=C/c2cncc([O-])c2)Cc2ccccc2O1 ZINC000492795189 429617257 /nfs/dbraw/zinc/61/72/57/429617257.db2.gz FVEIZKADHBYSFA-YBJDMEARSA-N -1 3 310.353 2.610 20 0 DFADHM CCC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C1CCC1 ZINC000458312611 429618482 /nfs/dbraw/zinc/61/84/82/429618482.db2.gz STVQRHWAZXGCHE-HNNXBMFYSA-N -1 3 324.446 2.757 20 0 DFADHM Cc1ccc([O-])c(C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000458347850 429625447 /nfs/dbraw/zinc/62/54/47/429625447.db2.gz HWFHODWGBQWPTA-LBPRGKRZSA-N -1 3 307.390 2.750 20 0 DFADHM CCC[C@H]1CCCC[C@@H]1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000524518228 429625700 /nfs/dbraw/zinc/62/57/00/429625700.db2.gz MXVSJIJWZLVOSN-ZFWWWQNUSA-N -1 3 305.422 2.817 20 0 DFADHM COc1ccc(C2CCN(Cc3n[n-]c(=O)s3)CC2)cc1 ZINC000367457470 429653063 /nfs/dbraw/zinc/65/30/63/429653063.db2.gz GQWCAZDBIUIOAF-UHFFFAOYSA-N -1 3 305.403 2.632 20 0 DFADHM CCOc1nc2cc(C(=O)NCCCCOC(C)C)ccc2[n-]1 ZINC000450537887 429643086 /nfs/dbraw/zinc/64/30/86/429643086.db2.gz 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CO[C@@H](c1ccccc1F)[C@H](C)[N-]c1nnc(C(F)F)o1 ZINC000432134710 429802864 /nfs/dbraw/zinc/80/28/64/429802864.db2.gz VJABOHSWPSWMOG-OIBJUYFYSA-N -1 3 301.268 3.334 20 0 DFADHM O=C(Nc1cccnc1N1CCCCC1)c1cccc2nn[n-]c21 ZINC000527364475 429747878 /nfs/dbraw/zinc/74/78/78/429747878.db2.gz YCAQMTVPLKEMLB-UHFFFAOYSA-N -1 3 322.372 2.596 20 0 DFADHM O=C(Nc1cccnc1N1CCCCC1)c1cccc2[n-]nnc21 ZINC000527364475 429747882 /nfs/dbraw/zinc/74/78/82/429747882.db2.gz YCAQMTVPLKEMLB-UHFFFAOYSA-N -1 3 322.372 2.596 20 0 DFADHM O=C(Nc1cccnc1N1CCCCC1)c1cccc2n[n-]nc21 ZINC000527364475 429747884 /nfs/dbraw/zinc/74/78/84/429747884.db2.gz YCAQMTVPLKEMLB-UHFFFAOYSA-N -1 3 322.372 2.596 20 0 DFADHM Cc1cccc([C@H]2CCN(C(=O)c3cccc4[n-]nnc43)C2)c1 ZINC000527364750 429747897 /nfs/dbraw/zinc/74/78/97/429747897.db2.gz MJANMYJLTOKXHV-AWEZNQCLSA-N -1 3 306.369 2.896 20 0 DFADHM Cc1cccc([C@H]2CCN(C(=O)c3cccc4nn[n-]c43)C2)c1 ZINC000527364750 429747902 /nfs/dbraw/zinc/74/79/02/429747902.db2.gz MJANMYJLTOKXHV-AWEZNQCLSA-N -1 3 306.369 2.896 20 0 DFADHM Cc1cccc([C@H]2CCN(C(=O)c3cccc4n[n-]nc43)C2)c1 ZINC000527364750 429747906 /nfs/dbraw/zinc/74/79/06/429747906.db2.gz MJANMYJLTOKXHV-AWEZNQCLSA-N -1 3 306.369 2.896 20 0 DFADHM CCOc1nc2cc(C(=O)N3C[C@H](C)O[C@@H](C)[C@@H]3C)ccc2[n-]1 ZINC000451004758 429748356 /nfs/dbraw/zinc/74/83/56/429748356.db2.gz NQRVCYMUBSRZHA-SRVKXCTJSA-N -1 3 317.389 2.600 20 0 DFADHM CCOc1nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)[C@@H]3C)cc2[n-]1 ZINC000451004758 429748361 /nfs/dbraw/zinc/74/83/61/429748361.db2.gz NQRVCYMUBSRZHA-SRVKXCTJSA-N -1 3 317.389 2.600 20 0 DFADHM COc1cc(NC(=O)/C=C\c2cncc([O-])c2)cc2cccnc21 ZINC000493381172 429749470 /nfs/dbraw/zinc/74/94/70/429749470.db2.gz GQAIYMVWXLDPKB-PLNGDYQASA-N -1 3 321.336 2.996 20 0 DFADHM CCc1cc(C(=O)NCCc2ccc3c(c2)CCO3)ccc1[O-] ZINC000486490003 429749703 /nfs/dbraw/zinc/74/97/03/429749703.db2.gz RPSZXIXBGIEEPZ-UHFFFAOYSA-N -1 3 311.381 2.862 20 0 DFADHM O=C(NC[C@@H]1SCCc2ccccc21)c1csc(=O)[n-]1 ZINC000527457982 429751273 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CCOc1ccc(Cl)c([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000451090097 429766099 /nfs/dbraw/zinc/76/60/99/429766099.db2.gz GHUAEYAJTRBMEI-UHFFFAOYSA-N -1 3 321.826 2.905 20 0 DFADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1ccc(C)cc1 ZINC000451096644 429767214 /nfs/dbraw/zinc/76/72/14/429767214.db2.gz XQTKMBVTSORVQU-CYBMUJFWSA-N -1 3 320.414 2.828 20 0 DFADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)/C=C/c1cncc([O-])c1 ZINC000368023952 429768081 /nfs/dbraw/zinc/76/80/81/429768081.db2.gz MIHITYPSIRFJEZ-BUKCURHMSA-N -1 3 314.316 2.578 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2sc(C)cc2C)o1 ZINC000431533890 429768612 /nfs/dbraw/zinc/76/86/12/429768612.db2.gz VFZFIZWLGPCFSA-JTQLQIEISA-N -1 3 300.405 2.701 20 0 DFADHM O=C(/C=C/c1c(Cl)nc2ccccn12)[N-]OC/C=C\Cl ZINC000493478997 429770444 /nfs/dbraw/zinc/77/04/44/429770444.db2.gz IEQADNFXLJQCAK-UDQYSLBASA-N -1 3 312.156 2.801 20 0 DFADHM CC(C)CCC[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000431581281 429770938 /nfs/dbraw/zinc/77/09/38/429770938.db2.gz YPLJJGRSAJCMTP-HXUWFJFHSA-N 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C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)[C@@H]1CCCOC1 ZINC000651633885 430835543 /nfs/dbraw/zinc/83/55/43/430835543.db2.gz GCILNDHGSKAULU-NXEZZACHSA-N -1 3 321.801 2.573 20 0 DFADHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1ccc(Cl)c(F)c1 ZINC000651635158 430837486 /nfs/dbraw/zinc/83/74/86/430837486.db2.gz LXURUGXYZTXTGM-JTQLQIEISA-N -1 3 321.801 2.717 20 0 DFADHM C[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C1CCC1 ZINC000648430907 430784998 /nfs/dbraw/zinc/78/49/98/430784998.db2.gz CBAGHTHCHUWQBB-SSDOTTSWSA-N -1 3 309.719 2.895 20 0 DFADHM Cc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)o1 ZINC000648433860 430785809 /nfs/dbraw/zinc/78/58/09/430785809.db2.gz RFBHCBPVDADYMZ-UHFFFAOYSA-N -1 3 307.659 2.674 20 0 DFADHM CCC[C@H]1CCC[C@H]1C(=O)N=c1[n-]n(C)cc1Br ZINC000648440046 430786951 /nfs/dbraw/zinc/78/69/51/430786951.db2.gz PLRWMLCWPBRATP-VHSXEESVSA-N -1 3 314.227 2.759 20 0 DFADHM C[C@H]1Cc2ccccc2N(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000654729838 430797079 /nfs/dbraw/zinc/79/70/79/430797079.db2.gz 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CCCOc1ccc(CNC(=O)c2cc(C)ccc2[O-])cn1 ZINC000436493878 297006604 /nfs/dbraw/zinc/00/66/04/297006604.db2.gz VGXKAXOYMLBGAT-UHFFFAOYSA-N -1 3 300.358 2.814 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCc2ccnc(OC(C)C)c2)c1 ZINC000436500723 297007214 /nfs/dbraw/zinc/00/72/14/297007214.db2.gz YYDPPOWNWIOEMQ-UHFFFAOYSA-N -1 3 300.358 2.813 20 0 DFADHM O=C(N[C@@H]1CCOC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436513109 297008086 /nfs/dbraw/zinc/00/80/86/297008086.db2.gz LSCOZZASIVDODI-MRXNPFEDSA-N -1 3 311.381 2.696 20 0 DFADHM CCCN(C(=O)c1cc(C)ccc1[O-])[C@@H](CC)C(=O)OCC ZINC000436523259 297009105 /nfs/dbraw/zinc/00/91/05/297009105.db2.gz RKIQUPDXSOWNCI-AWEZNQCLSA-N -1 3 307.390 2.895 20 0 DFADHM O=C(NCC1(O)CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436534798 297010020 /nfs/dbraw/zinc/01/00/20/297010020.db2.gz XXBWROXCILJWJL-UHFFFAOYSA-N -1 3 313.353 2.829 20 0 DFADHM CCCN(C(=O)c1ccc([O-])c(C)c1)[C@H](CC)C(=O)OCC ZINC000436525945 297009444 /nfs/dbraw/zinc/00/94/44/297009444.db2.gz PNNIMTXJPSQAPI-CQSZACIVSA-N -1 3 307.390 2.895 20 0 DFADHM COC(=O)[C@@H](C)CN(C(=O)c1ccc(C(C)C)cc1[O-])C1CC1 ZINC000436535791 297010194 /nfs/dbraw/zinc/01/01/94/297010194.db2.gz OPCQMTJBCWWPJS-LBPRGKRZSA-N -1 3 319.401 2.929 20 0 DFADHM COc1ccc(C(=O)NCc2cnc3ccccc3c2)c([O-])c1 ZINC000436546336 297010827 /nfs/dbraw/zinc/01/08/27/297010827.db2.gz ODCRNGKTQFVJDG-UHFFFAOYSA-N -1 3 308.337 2.879 20 0 DFADHM COc1cccc(C[C@H](C)NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000436546866 297010913 /nfs/dbraw/zinc/01/09/13/297010913.db2.gz HJSVLBVGGUVXJN-LBPRGKRZSA-N -1 3 315.369 2.770 20 0 DFADHM COC(=O)CCC(C)(C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436544076 297011139 /nfs/dbraw/zinc/01/11/39/297011139.db2.gz BENCTVQWVUFUTC-UHFFFAOYSA-N -1 3 307.390 2.977 20 0 DFADHM Cc1cccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)c1[O-] ZINC000436550053 297011712 /nfs/dbraw/zinc/01/17/12/297011712.db2.gz WADFPNNCBIYYPN-INIZCTEOSA-N -1 3 324.380 2.626 20 0 DFADHM CCOc1ccc(CNC(=O)c2cc(OC)ccc2[O-])cc1F ZINC000436554315 297012148 /nfs/dbraw/zinc/01/21/48/297012148.db2.gz KDGVVGLKQKWZAP-UHFFFAOYSA-N -1 3 319.332 2.869 20 0 DFADHM CCCCN(CCOC)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436557929 297012183 /nfs/dbraw/zinc/01/21/83/297012183.db2.gz YQHAUVRQOCFYLQ-UHFFFAOYSA-N -1 3 321.417 2.994 20 0 DFADHM COCc1ccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000436558520 297012696 /nfs/dbraw/zinc/01/26/96/297012696.db2.gz WBTDPLMYSOHOQZ-UHFFFAOYSA-N -1 3 313.353 2.671 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)cc1[O-] ZINC000436574216 297013671 /nfs/dbraw/zinc/01/36/71/297013671.db2.gz JNCHTWHHEGYFIL-PXAZEXFGSA-N -1 3 319.401 2.920 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1[O-] ZINC000436574217 297013785 /nfs/dbraw/zinc/01/37/85/297013785.db2.gz JNCHTWHHEGYFIL-SJCJKPOMSA-N -1 3 319.401 2.920 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2[O-])C12CCCC2 ZINC000436570740 297013879 /nfs/dbraw/zinc/01/38/79/297013879.db2.gz ARTHYCASSALDOC-HZPDHXFCSA-N -1 3 319.401 2.868 20 0 DFADHM COC(=O)C[C@H](NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC000436591057 297015933 /nfs/dbraw/zinc/01/59/33/297015933.db2.gz VFIBGMWRTUNPLK-AWEZNQCLSA-N -1 3 305.374 2.634 20 0 DFADHM COC(=O)[C@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000436578838 297014376 /nfs/dbraw/zinc/01/43/76/297014376.db2.gz XXMCVLUEOXNRLC-CQSZACIVSA-N -1 3 319.744 2.690 20 0 DFADHM Cc1cccc(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1[O-] ZINC000436583866 297014976 /nfs/dbraw/zinc/01/49/76/297014976.db2.gz KQUDXVLVVIZQLW-XJKSGUPXSA-N -1 3 324.380 2.624 20 0 DFADHM CC(C)C[C@H](NC(=O)c1ccccc1[O-])C(=O)OC(C)(C)C ZINC000436585470 297015140 /nfs/dbraw/zinc/01/51/40/297015140.db2.gz QGGXQKIRFFYCBO-ZDUSSCGKSA-N -1 3 307.390 2.878 20 0 DFADHM CCC(CC)[C@H](O)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436586637 297015325 /nfs/dbraw/zinc/01/53/25/297015325.db2.gz UBOXCLFHKMEUHH-CQSZACIVSA-N -1 3 321.417 2.633 20 0 DFADHM COC(=O)C[C@@H](NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC000436591059 297015745 /nfs/dbraw/zinc/01/57/45/297015745.db2.gz VFIBGMWRTUNPLK-CQSZACIVSA-N -1 3 305.374 2.634 20 0 DFADHM CNC(=O)Nc1cc(NC(=O)c2ccc([O-])c(C)c2)ccc1F ZINC000436608040 297017792 /nfs/dbraw/zinc/01/77/92/297017792.db2.gz SZWGAAZBWGRZAI-UHFFFAOYSA-N -1 3 317.320 2.843 20 0 DFADHM C[C@@]1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCOC1 ZINC000436612037 297017931 /nfs/dbraw/zinc/01/79/31/297017931.db2.gz XLAHWSOEBYEPFJ-LJQANCHMSA-N -1 3 311.381 2.892 20 0 DFADHM C[C@H](NC(=O)c1c([O-])cccc1O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000436650420 297021236 /nfs/dbraw/zinc/02/12/36/297021236.db2.gz ZXHIDUVQOWXKRZ-DINDLPBHSA-N -1 3 313.353 2.781 20 0 DFADHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])[C@@H](O)C(F)(F)F ZINC000436617970 297018574 /nfs/dbraw/zinc/01/85/74/297018574.db2.gz MCAQBEOFLUXLGF-WCQYABFASA-N -1 3 319.323 2.947 20 0 DFADHM CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])[C@H](O)C(F)(F)F ZINC000436617973 297018620 /nfs/dbraw/zinc/01/86/20/297018620.db2.gz MCAQBEOFLUXLGF-YPMHNXCESA-N -1 3 319.323 2.947 20 0 DFADHM COc1ccc2c(c1)CCN2C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436624957 297019288 /nfs/dbraw/zinc/01/92/88/297019288.db2.gz 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/nfs/dbraw/zinc/02/15/71/297021571.db2.gz RLNZOPDQTDVKMK-KBPBESRZSA-N -1 3 307.390 2.811 20 0 DFADHM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000436650364 297021591 /nfs/dbraw/zinc/02/15/91/297021591.db2.gz ZHUXBXONLQVABY-SNVBAGLBSA-N -1 3 314.341 2.547 20 0 DFADHM O=C(NCc1cc(-c2ccccc2)no1)c1c([O-])cccc1O ZINC000436648735 297021709 /nfs/dbraw/zinc/02/17/09/297021709.db2.gz RFHIEKLGBCYFOP-UHFFFAOYSA-N -1 3 310.309 2.683 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H](C)CCc2cccn2C)cc1[O-] ZINC000436655834 297021912 /nfs/dbraw/zinc/02/19/12/297021912.db2.gz OGGPBZUWEHDKPP-LBPRGKRZSA-N -1 3 314.385 2.684 20 0 DFADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436656213 297022108 /nfs/dbraw/zinc/02/21/08/297022108.db2.gz PQPFDGGDTGYJGD-DZGCQCFKSA-N -1 3 307.415 2.999 20 0 DFADHM CCOC(=O)c1cnc(C)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436657616 297022418 /nfs/dbraw/zinc/02/24/18/297022418.db2.gz VVENIGBYVLOYJR-UHFFFAOYSA-N -1 3 314.341 2.833 20 0 DFADHM C[C@H]1COCC[C@H]1CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436661442 297022530 /nfs/dbraw/zinc/02/25/30/297022530.db2.gz VZJPVMQWDVKGRJ-JSGCOSHPSA-N -1 3 303.402 2.673 20 0 DFADHM C[C@H]1COCC[C@@H]1CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436661441 297022564 /nfs/dbraw/zinc/02/25/64/297022564.db2.gz VZJPVMQWDVKGRJ-GXTWGEPZSA-N -1 3 303.402 2.673 20 0 DFADHM COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC000436668568 297023001 /nfs/dbraw/zinc/02/30/01/297023001.db2.gz YFHFMRONWKTHII-CYBMUJFWSA-N -1 3 313.353 2.596 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H]2CCOC[C@H]2C)c([O-])c1 ZINC000436664398 297023241 /nfs/dbraw/zinc/02/32/41/297023241.db2.gz OGQMWLQWLUXDPZ-ZIAGYGMSSA-N -1 3 321.417 2.974 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCn2c(cc3ccccc32)C1 ZINC000436673962 297024180 /nfs/dbraw/zinc/02/41/80/297024180.db2.gz QNGLZYXLKFBBBN-UHFFFAOYSA-N -1 3 308.337 2.709 20 0 DFADHM O=C(NCCc1nc2ccccc2s1)c1ccc(O)cc1[O-] ZINC000436674543 297024228 /nfs/dbraw/zinc/02/42/28/297024228.db2.gz PSSUTQKVMAISIO-UHFFFAOYSA-N -1 3 314.366 2.680 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCO[C@@H](C2CC2)C1 ZINC000436684362 297024642 /nfs/dbraw/zinc/02/46/42/297024642.db2.gz ZDUJSIVDVADAQL-QGZVFWFLSA-N -1 3 301.386 2.522 20 0 DFADHM CCOC(=O)[C@H](NC(=O)c1cc(C)ccc1[O-])c1ccccc1 ZINC000436688945 297025418 /nfs/dbraw/zinc/02/54/18/297025418.db2.gz PTMCDNWNKDAEJK-MRXNPFEDSA-N -1 3 313.353 2.735 20 0 DFADHM COc1ccc(C(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)c([O-])c1 ZINC000436696090 297025579 /nfs/dbraw/zinc/02/55/79/297025579.db2.gz HQMBFQHQTLCXJS-LSDHHAIUSA-N -1 3 307.390 2.723 20 0 DFADHM Cc1ccn2cc(CNC(=O)c3ccc(C)c(C)c3[O-])nc2c1 ZINC000436692150 297025726 /nfs/dbraw/zinc/02/57/26/297025726.db2.gz MFOAQGAANRVGHT-UHFFFAOYSA-N -1 3 309.369 2.895 20 0 DFADHM CCn1cnnc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436700581 297026051 /nfs/dbraw/zinc/02/60/51/297026051.db2.gz WREMAXOUGVRINF-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM CCOC(=O)CC(C)(C)N(C)C(=O)c1ccc([O-])c(CC)c1 ZINC000436701819 297026206 /nfs/dbraw/zinc/02/62/06/297026206.db2.gz AVAWXUXVPCVZBW-UHFFFAOYSA-N -1 3 307.390 2.758 20 0 DFADHM COCCOc1ccccc1CNC(=O)c1cc(C)ccc1[O-] ZINC000436698763 297026310 /nfs/dbraw/zinc/02/63/10/297026310.db2.gz ORHCTKXMHBEXMA-UHFFFAOYSA-N -1 3 315.369 2.656 20 0 DFADHM C/C=C\C[C@H](NC(=O)c1ccc([O-])c(CC)c1)C(=O)OCC ZINC000436703104 297026413 /nfs/dbraw/zinc/02/64/13/297026413.db2.gz GBIHVMUTZMFPBV-ZBKLQPJUSA-N -1 3 305.374 2.582 20 0 DFADHM CCCCOc1ccc(C(=O)NCC(C)(C)COC)c([O-])c1 ZINC000436700172 297026434 /nfs/dbraw/zinc/02/64/34/297026434.db2.gz YAXGRDANRSTHPC-UHFFFAOYSA-N -1 3 309.406 2.974 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cccc3c2OCO3)c1[O-] ZINC000436750110 297031388 /nfs/dbraw/zinc/03/13/88/297031388.db2.gz VMAHMCBMSBRGFP-UHFFFAOYSA-N -1 3 301.298 2.690 20 0 DFADHM O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000436748847 297031532 /nfs/dbraw/zinc/03/15/32/297031532.db2.gz HVJYYCXHENSONJ-GFCCVEGCSA-N -1 3 300.333 2.540 20 0 DFADHM CC[C@H](C)N[C@H](CNC(=O)c1c([O-])cccc1F)c1ccco1 ZINC000436714664 297027728 /nfs/dbraw/zinc/02/77/28/297027728.db2.gz MVNCOWIBJMGTMB-WCQYABFASA-N -1 3 320.364 2.984 20 0 DFADHM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1[O-] ZINC000436716466 297028012 /nfs/dbraw/zinc/02/80/12/297028012.db2.gz BGCRFSAVTMHAFO-CQSZACIVSA-N -1 3 314.360 2.930 20 0 DFADHM CC[C@H](O)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436721816 297028498 /nfs/dbraw/zinc/02/84/98/297028498.db2.gz IETZPNVIARGWKW-INIZCTEOSA-N -1 3 313.397 2.678 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCN(C)[C@@H](C(C)C)C2)c([O-])c1 ZINC000436727812 297028821 /nfs/dbraw/zinc/02/88/21/297028821.db2.gz CSBNPKWFMJBHIA-MRXNPFEDSA-N -1 3 304.434 2.928 20 0 DFADHM CC(C)c1ccc(C(=O)N(C)CCN(C)CC(F)F)c([O-])c1 ZINC000436727951 297028972 /nfs/dbraw/zinc/02/89/72/297028972.db2.gz GAABYUOLAXWCPH-UHFFFAOYSA-N -1 3 314.376 2.785 20 0 DFADHM CC(C)c1ccc(C(=O)NCc2nc3cccnc3[nH]2)c([O-])c1 ZINC000436731228 297029373 /nfs/dbraw/zinc/02/93/73/297029373.db2.gz BKVVXOKNXXNMAP-UHFFFAOYSA-N -1 3 310.357 2.717 20 0 DFADHM O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1ccc(O)cc1[O-] ZINC000436733397 297029506 /nfs/dbraw/zinc/02/95/06/297029506.db2.gz HNBMODVCWRMVGD-AWEZNQCLSA-N -1 3 321.760 2.605 20 0 DFADHM O=C(NC[C@H](CO)c1ccccc1Cl)c1ccccc1[O-] ZINC000436736284 297030108 /nfs/dbraw/zinc/03/01/08/297030108.db2.gz GCGOUHVPXJNSOJ-LLVKDONJSA-N -1 3 305.761 2.552 20 0 DFADHM COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(C)ccc1[O-] ZINC000436747757 297030795 /nfs/dbraw/zinc/03/07/95/297030795.db2.gz CEWYFNIXNQAQII-CXAGYDPISA-N -1 3 305.374 2.552 20 0 DFADHM Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc([O-])cc3F)c12 ZINC000436747150 297030945 /nfs/dbraw/zinc/03/09/45/297030945.db2.gz KBCDSZBBBKTRBK-UHFFFAOYSA-N -1 3 314.320 2.682 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2ccc3c(c2)OCO3)c1[O-] ZINC000436746593 297030964 /nfs/dbraw/zinc/03/09/64/297030964.db2.gz GDDNBCWUOILWGT-UHFFFAOYSA-N -1 3 301.298 2.690 20 0 DFADHM Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)c([O-])c1C ZINC000436757710 297032257 /nfs/dbraw/zinc/03/22/57/297032257.db2.gz WIALJQYNNWPBPF-UHFFFAOYSA-N -1 3 312.369 2.963 20 0 DFADHM CN(C)[C@@H](CNC(=O)c1cc(F)ccc1[O-])c1ccsc1 ZINC000436760299 297032581 /nfs/dbraw/zinc/03/25/81/297032581.db2.gz AMUUXZOPXUJDAL-ZDUSSCGKSA-N -1 3 308.378 2.626 20 0 DFADHM C[C@H](CNC(=O)c1cc(Cl)ccc1[O-])N1CCC[C@@H](C)C1 ZINC000436764229 297032862 /nfs/dbraw/zinc/03/28/62/297032862.db2.gz KNOJEXKOAHUSPI-VXGBXAGGSA-N -1 3 310.825 2.896 20 0 DFADHM CSCCCN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436783027 297034061 /nfs/dbraw/zinc/03/40/61/297034061.db2.gz KQAWYKDGUUKWQR-UHFFFAOYSA-N -1 3 309.431 2.931 20 0 DFADHM CCc1ccc(C(=O)N2CCOC[C@H]2CC2CCC2)c([O-])c1 ZINC000436792334 297034156 /nfs/dbraw/zinc/03/41/56/297034156.db2.gz NKZXAVQQGLDGQW-OAHLLOKOSA-N -1 3 303.402 2.986 20 0 DFADHM COC(=O)c1ccc(-c2nc(-c3cc(C)c(O)c(C)c3)no2)[n-]1 ZINC000436786370 297034417 /nfs/dbraw/zinc/03/44/17/297034417.db2.gz YAXPQHIYACUHGY-UHFFFAOYSA-N -1 3 313.313 2.841 20 0 DFADHM CCc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)c([O-])c1 ZINC000436792338 297034479 /nfs/dbraw/zinc/03/44/79/297034479.db2.gz NMAIKKAELIDSJJ-UHFFFAOYSA-N -1 3 313.353 2.656 20 0 DFADHM CC(C)[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ncon1 ZINC000436795648 297034811 /nfs/dbraw/zinc/03/48/11/297034811.db2.gz ZUUITFPFMMIRRU-OAHLLOKOSA-N -1 3 315.373 2.781 20 0 DFADHM CC(C)[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ncon1 ZINC000436795647 297034976 /nfs/dbraw/zinc/03/49/76/297034976.db2.gz ZUUITFPFMMIRRU-HNNXBMFYSA-N -1 3 315.373 2.781 20 0 DFADHM O=C(Nc1nc2cccnc2[nH]1)c1cc2c(cc1[O-])CCCC2 ZINC000436794875 297035003 /nfs/dbraw/zinc/03/50/03/297035003.db2.gz PGKCFPBKJYMPDO-UHFFFAOYSA-N -1 3 308.341 2.795 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c([O-])c1 ZINC000436812980 297036105 /nfs/dbraw/zinc/03/61/05/297036105.db2.gz GIUPIANAAOYNLI-UHFFFAOYSA-N -1 3 308.341 2.992 20 0 DFADHM COc1cccc(C(=O)Nc2nc3c(cccc3F)n2C)c1[O-] ZINC000436814199 297036728 /nfs/dbraw/zinc/03/67/28/297036728.db2.gz HLEDNYZZPQYADF-UHFFFAOYSA-N -1 3 315.304 2.679 20 0 DFADHM CCc1ccc(C(=O)N[C@H](c2nccc(C)n2)C2CC2)c([O-])c1 ZINC000436826608 297037572 /nfs/dbraw/zinc/03/75/72/297037572.db2.gz AUZQESCCOROECM-INIZCTEOSA-N -1 3 311.385 2.934 20 0 DFADHM COc1cccc(C(=O)N2CCOc3ccc(F)cc3C2)c1[O-] ZINC000436828734 297037995 /nfs/dbraw/zinc/03/79/95/297037995.db2.gz JJZWBDIDAKMEFZ-UHFFFAOYSA-N -1 3 317.316 2.575 20 0 DFADHM CC[C@@H](C)Oc1cc(CNC(=O)c2c([O-])cccc2O)ccn1 ZINC000436828147 297038234 /nfs/dbraw/zinc/03/82/34/297038234.db2.gz XBDWCVZJBCMMOZ-LLVKDONJSA-N -1 3 316.357 2.600 20 0 DFADHM COc1ccc(NC(C)=O)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436901387 297043464 /nfs/dbraw/zinc/04/34/64/297043464.db2.gz MEQLILXNOHYLEC-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM CCc1ccc(C(=O)N(CCO)CC2CCCCC2)c([O-])c1 ZINC000436839482 297038733 /nfs/dbraw/zinc/03/87/33/297038733.db2.gz PJLUXMCZMJOHPG-UHFFFAOYSA-N -1 3 305.418 2.969 20 0 DFADHM C/C=C/C[C@@H](NC(=O)c1ccc(CC)cc1[O-])C(=O)OCC ZINC000436837303 297038790 /nfs/dbraw/zinc/03/87/90/297038790.db2.gz FQUMUXPHKIYSRV-BTKRWWFXSA-N -1 3 305.374 2.582 20 0 DFADHM CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1ccc(O)cc1[O-] ZINC000436837788 297038812 /nfs/dbraw/zinc/03/88/12/297038812.db2.gz HWMUVZWCVXIAGS-ZDUSSCGKSA-N -1 3 323.389 2.586 20 0 DFADHM CO[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC[C@@H]1C ZINC000436837284 297039052 /nfs/dbraw/zinc/03/90/52/297039052.db2.gz HFUCZXSZSKEFPZ-SMDDNHRTSA-N -1 3 319.401 2.603 20 0 DFADHM CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436840405 297039097 /nfs/dbraw/zinc/03/90/97/297039097.db2.gz QOSXLMKUNXKUIS-NEPJUHHUSA-N -1 3 307.390 2.833 20 0 DFADHM CCc1ccc(C(=O)N[C@H](CO)c2sccc2C)c([O-])c1 ZINC000436842710 297039191 /nfs/dbraw/zinc/03/91/91/297039191.db2.gz FEMAFILLVKEVNY-CYBMUJFWSA-N -1 3 305.399 2.788 20 0 DFADHM CCc1ccc(C(=O)N[C@H](CO)Cc2ccc(C)cc2)c([O-])c1 ZINC000436849091 297039569 /nfs/dbraw/zinc/03/95/69/297039569.db2.gz RJCTUQVHWAOSIJ-INIZCTEOSA-N -1 3 313.397 2.596 20 0 DFADHM CCC(CC)[C@H](O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436864006 297041062 /nfs/dbraw/zinc/04/10/62/297041062.db2.gz MJSLXTJSFHVVDZ-QGZVFWFLSA-N -1 3 305.418 2.798 20 0 DFADHM CC(=O)c1ccc([O-])c(NC(=O)c2cccc(CN(C)C)c2)c1 ZINC000436876839 297041517 /nfs/dbraw/zinc/04/15/17/297041517.db2.gz KZKXTYKTQJBMAF-UHFFFAOYSA-N -1 3 312.369 2.909 20 0 DFADHM COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436881243 297041622 /nfs/dbraw/zinc/04/16/22/297041622.db2.gz WPYKBZWSCUQHEP-SNVBAGLBSA-N -1 3 317.341 2.606 20 0 DFADHM CCOC(=O)c1ccc(C(=O)Nc2c(C)cccc2[O-])nc1 ZINC000436903104 297043606 /nfs/dbraw/zinc/04/36/06/297043606.db2.gz HCGUOGCUPTULRX-UHFFFAOYSA-N -1 3 300.314 2.525 20 0 DFADHM [O-]c1ccc(-c2noc(-c3cn(-c4ccccc4)nn3)n2)cc1 ZINC000436886292 297042193 /nfs/dbraw/zinc/04/21/93/297042193.db2.gz HCNFSRHWQQMPSF-UHFFFAOYSA-N -1 3 305.297 2.690 20 0 DFADHM CC(C)[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCO1 ZINC000436892117 297042514 /nfs/dbraw/zinc/04/25/14/297042514.db2.gz ZNLNBPXOGYPLOI-KRWDZBQOSA-N -1 3 303.402 2.768 20 0 DFADHM CC(C)(C)OC(=O)CCCCCNC(=O)c1ccc(O)cc1[O-] ZINC000436901458 297043308 /nfs/dbraw/zinc/04/33/08/297043308.db2.gz MVWLVVHXNUUNGE-UHFFFAOYSA-N -1 3 323.389 2.730 20 0 DFADHM C[C@@H](NC(=O)c1c([O-])cccc1F)[C@@H](c1ccccc1)N(C)C ZINC000436904605 297043378 /nfs/dbraw/zinc/04/33/78/297043378.db2.gz MAKZGYCGWBKZMY-PXAZEXFGSA-N -1 3 316.376 2.953 20 0 DFADHM O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc(Cl)cc1[O-] ZINC000436906697 297043908 /nfs/dbraw/zinc/04/39/08/297043908.db2.gz DCJWFCWNHKMVHV-ZDUSSCGKSA-N -1 3 308.809 2.792 20 0 DFADHM Cc1ccc([O-])c(-c2nc(-c3cccnc3-n3cccn3)no2)c1 ZINC000436908435 297043960 /nfs/dbraw/zinc/04/39/60/297043960.db2.gz IOMGAUBMSRPYLJ-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM Cc1cccc(-c2nc(-c3cccnc3-n3cccn3)no2)c1[O-] ZINC000436909418 297044114 /nfs/dbraw/zinc/04/41/14/297044114.db2.gz MVBWBXJEGWVMAY-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM O=C(N[C@H](CO)c1ccsc1)c1ccc2c(c1[O-])CCCC2 ZINC000436920143 297044984 /nfs/dbraw/zinc/04/49/84/297044984.db2.gz QRXXQUGGHSJDFX-OAHLLOKOSA-N -1 3 317.410 2.796 20 0 DFADHM O=C(NCc1ccc(F)cn1)c1ccc2c(c1[O-])CCCC2 ZINC000436976212 297049554 /nfs/dbraw/zinc/04/95/54/297049554.db2.gz OOSRGARWKKNKNQ-UHFFFAOYSA-N -1 3 300.333 2.735 20 0 DFADHM Cc1cccc(C(=O)NC[C@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000436927895 297045347 /nfs/dbraw/zinc/04/53/47/297045347.db2.gz AIWNGTPCOYLNPJ-LPHOPBHVSA-N -1 3 311.381 2.597 20 0 DFADHM CCOC(=O)CN(C(=O)c1ccc([O-])c(C)c1)C1CCCC1 ZINC000436938137 297046291 /nfs/dbraw/zinc/04/62/91/297046291.db2.gz KPAXRQWCIFNDGQ-UHFFFAOYSA-N -1 3 305.374 2.649 20 0 DFADHM Cc1ccc(C(=O)NC[C@]2(CO)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000436937785 297046467 /nfs/dbraw/zinc/04/64/67/297046467.db2.gz IXMNNUXGYVSBOF-APWZRJJASA-N -1 3 311.381 2.597 20 0 DFADHM CN(C[C@@H]1CCCCO1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436947923 297047308 /nfs/dbraw/zinc/04/73/08/297047308.db2.gz FEQDYEZMHJHWSA-AWEZNQCLSA-N -1 3 303.402 2.912 20 0 DFADHM COc1cccc(C[C@H](C)NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436964413 297048078 /nfs/dbraw/zinc/04/80/78/297048078.db2.gz GPMZYQKQDCQIFK-LBPRGKRZSA-N -1 3 315.369 2.770 20 0 DFADHM C[C@H](C[C@H]1CCCO1)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436964723 297048149 /nfs/dbraw/zinc/04/81/49/297048149.db2.gz SBUAFQKCEIYBIQ-TZMCWYRMSA-N -1 3 303.402 2.958 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2c[nH]nc2C)c([O-])c1 ZINC000436970391 297048274 /nfs/dbraw/zinc/04/82/74/297048274.db2.gz FBGJYTUKYPVWAU-UHFFFAOYSA-N -1 3 303.362 2.533 20 0 DFADHM O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc2c(c1[O-])CCCC2 ZINC000436970742 297048464 /nfs/dbraw/zinc/04/84/64/297048464.db2.gz MJWLIFQRBYGAEU-CJNGLKHVSA-N -1 3 303.402 2.552 20 0 DFADHM CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436970776 297048724 /nfs/dbraw/zinc/04/87/24/297048724.db2.gz MNRIYDBECKDHNF-KRWDZBQOSA-N -1 3 316.445 2.683 20 0 DFADHM CC1(C)[C@H](NC(=O)c2ccc3c(c2[O-])CCCC3)[C@@H]2CCO[C@H]21 ZINC000436973487 297048862 /nfs/dbraw/zinc/04/88/62/297048862.db2.gz XXDCBKKHNPZHPQ-USXIJHARSA-N -1 3 315.413 2.814 20 0 DFADHM CCCCOc1ccc(C(=O)N2CC[C@H](O)C(C)(C)C2)c([O-])c1 ZINC000436978192 297049213 /nfs/dbraw/zinc/04/92/13/297049213.db2.gz GJXZCAKDXMDVOU-INIZCTEOSA-N -1 3 321.417 2.804 20 0 DFADHM CCc1ccc(C(=O)N[C@](C)(c2noc(C)n2)C2CC2)c([O-])c1 ZINC000436987496 297050212 /nfs/dbraw/zinc/05/02/12/297050212.db2.gz IBSNCHGCOPHHHE-KRWDZBQOSA-N -1 3 315.373 2.701 20 0 DFADHM COC(=O)Nc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000494659057 299877785 /nfs/dbraw/zinc/87/77/85/299877785.db2.gz LOCAQQPDHGZADN-UHFFFAOYSA-N -1 3 302.286 2.528 20 0 DFADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]Cc1nccs1 ZINC000154291839 295296811 /nfs/dbraw/zinc/29/68/11/295296811.db2.gz WMCFJOQGGNGZCU-UHFFFAOYSA-N -1 3 320.798 2.555 20 0 DFADHM COc1cc(C(=O)[N-]c2c(F)cccc2N2CCCC2)on1 ZINC000155773073 295325462 /nfs/dbraw/zinc/32/54/62/295325462.db2.gz VILDXHPDWBJAFI-UHFFFAOYSA-N -1 3 305.309 2.675 20 0 DFADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000155787542 295325845 /nfs/dbraw/zinc/32/58/45/295325845.db2.gz XAJGUDJUYXJWDW-WBMJQRKESA-N -1 3 319.449 2.747 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000155912019 295327857 /nfs/dbraw/zinc/32/78/57/295327857.db2.gz QAUMVVSAJIWXLL-RYUDHWBXSA-N -1 3 309.412 2.591 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000156427042 295336245 /nfs/dbraw/zinc/33/62/45/295336245.db2.gz IAEUUELRQCLNTF-QRQCRPRQSA-N -1 3 317.410 2.550 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000182089639 295397982 /nfs/dbraw/zinc/39/79/82/295397982.db2.gz PGZCKYVXCNYOFJ-ICWYTKJFSA-N -1 3 304.415 2.687 20 0 DFADHM COC(=O)c1cc([N-]C(=O)c2snnc2C2CC2)c(C)s1 ZINC000411111246 295525439 /nfs/dbraw/zinc/52/54/39/295525439.db2.gz SOYAJIKCGVATPX-UHFFFAOYSA-N -1 3 323.399 2.824 20 0 DFADHM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000412123140 295591530 /nfs/dbraw/zinc/59/15/30/295591530.db2.gz FDYSODHYZRRSRC-VHSXEESVSA-N -1 3 311.765 2.882 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@@H](C)c2nc(C)cs2)cc1[O-] ZINC000412260603 295606301 /nfs/dbraw/zinc/60/63/01/295606301.db2.gz VGCIUMFYIYTOBV-SECBINFHSA-N -1 3 318.398 2.893 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)cc1[O-] ZINC000412272381 295607524 /nfs/dbraw/zinc/60/75/24/295607524.db2.gz QBYCZLUYJIFEAJ-WMZOPIPTSA-N -1 3 317.385 2.530 20 0 DFADHM C[C@@H](C1CCCCC1)N(C)C(=O)c1c[n-]c2ccncc2c1=O ZINC000412284227 295608585 /nfs/dbraw/zinc/60/85/85/295608585.db2.gz DXDVXEYERKKIPV-LBPRGKRZSA-N -1 3 313.401 2.964 20 0 DFADHM CC(=O)c1ccc(C(=O)NCC(C)(C)c2ccccn2)cc1[O-] ZINC000412376390 295617231 /nfs/dbraw/zinc/61/72/31/295617231.db2.gz QRURELXVBAGRBI-UHFFFAOYSA-N -1 3 312.369 2.697 20 0 DFADHM CC[C@@H]1CCCC[C@H]1CNC(=O)c1c[n-]c2ccncc2c1=O ZINC000412379706 295617474 /nfs/dbraw/zinc/61/74/74/295617474.db2.gz WVAYNQWDPICTPZ-OLZOCXBDSA-N -1 3 313.401 2.869 20 0 DFADHM CN1CCC[C@H](NC(=O)c2c([O-])cccc2O)c2ccccc21 ZINC000412396605 295619137 /nfs/dbraw/zinc/61/91/37/295619137.db2.gz NRUIHMYBOFDULD-ZDUSSCGKSA-N -1 3 312.369 2.799 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)CC(F)(F)F)c1 ZINC000412661864 295643161 /nfs/dbraw/zinc/64/31/61/295643161.db2.gz SSDWBVYXEYRRLU-QMMMGPOBSA-N -1 3 318.295 2.669 20 0 DFADHM COc1ccc(CNc2ncccn2)c(Br)c1[O-] ZINC000438233836 297085313 /nfs/dbraw/zinc/08/53/13/297085313.db2.gz JSUTUUJTTURFDH-UHFFFAOYSA-N -1 3 310.151 2.565 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)NCC(C)(C)C(C)C)c([O-])c1 ZINC000438390987 297091456 /nfs/dbraw/zinc/09/14/56/297091456.db2.gz JQRQAWQKSPFTLQ-UHFFFAOYSA-N -1 3 320.433 2.619 20 0 DFADHM COC(=O)c1c(C)nc(=O)[n-]c1SC[C@@H](C)C(F)(F)F ZINC000439046766 297112859 /nfs/dbraw/zinc/11/28/59/297112859.db2.gz ZKLWJZZUDYCOIK-RXMQYKEDSA-N -1 3 310.297 2.568 20 0 DFADHM COC[C@H](C)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000439053967 297113188 /nfs/dbraw/zinc/11/31/88/297113188.db2.gz GBMBATFQRDEXDJ-CQSZACIVSA-N -1 3 313.397 2.995 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1cncs1 ZINC000439192963 297118315 /nfs/dbraw/zinc/11/83/15/297118315.db2.gz QLMSZECCMAEOOT-LURJTMIESA-N -1 3 308.837 2.898 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000440381378 297151126 /nfs/dbraw/zinc/15/11/26/297151126.db2.gz CTEUTMBYIIERMY-UWVGGRQHSA-N -1 3 319.748 2.592 20 0 DFADHM Cc1ccc(-c2nc([N-]C(=O)c3cn4ccnc4s3)n[nH]2)cc1 ZINC000442619128 297197778 /nfs/dbraw/zinc/19/77/78/297197778.db2.gz GYQZFWAUHLADSU-UHFFFAOYSA-N -1 3 324.369 2.742 20 0 DFADHM COc1cccc([C@@H](C)NC(=O)c2ccc([O-])c(OC)c2)c1 ZINC000442662931 297199687 /nfs/dbraw/zinc/19/96/87/297199687.db2.gz XEIPTACPQNLWSM-LLVKDONJSA-N -1 3 301.342 2.900 20 0 DFADHM COc1cc(C(=O)NC[C@@H](OC)c2ccc(F)cc2)ccc1[O-] ZINC000442680778 297201204 /nfs/dbraw/zinc/20/12/04/297201204.db2.gz PRGXZCSDLXNZRA-MRXNPFEDSA-N -1 3 319.332 2.657 20 0 DFADHM COc1cc(C(=O)NCCOc2ccccc2Cl)ccc1[O-] ZINC000442808534 297207846 /nfs/dbraw/zinc/20/78/46/297207846.db2.gz HQEPQCCBINLULP-UHFFFAOYSA-N -1 3 321.760 2.863 20 0 DFADHM COCCC[C@H](NCc1cnc(C)[n-]c1=O)c1ccc(F)cc1 ZINC000442858973 297208479 /nfs/dbraw/zinc/20/84/79/297208479.db2.gz UJWRNJXGXQTSCF-INIZCTEOSA-N -1 3 319.380 2.887 20 0 DFADHM COc1nnc(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)[n-]1 ZINC000443118260 297216348 /nfs/dbraw/zinc/21/63/48/297216348.db2.gz PFEVGTBUDQWTHV-UHFFFAOYSA-N -1 3 318.230 2.532 20 0 DFADHM COc1nc(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)n[n-]1 ZINC000443118260 297216351 /nfs/dbraw/zinc/21/63/51/297216351.db2.gz PFEVGTBUDQWTHV-UHFFFAOYSA-N -1 3 318.230 2.532 20 0 DFADHM COc1n[n-]c(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)n1 ZINC000443118260 297216353 /nfs/dbraw/zinc/21/63/53/297216353.db2.gz PFEVGTBUDQWTHV-UHFFFAOYSA-N -1 3 318.230 2.532 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)c([O-])c1 ZINC000443188244 297217385 /nfs/dbraw/zinc/21/73/85/297217385.db2.gz QDJMYCGJKIYYHD-UHFFFAOYSA-N -1 3 311.341 2.799 20 0 DFADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000443306681 297218775 /nfs/dbraw/zinc/21/87/75/297218775.db2.gz GIUIKYRZETVSLT-MWLCHTKSSA-N -1 3 323.817 2.555 20 0 DFADHM Cn1cccc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443554707 297221301 /nfs/dbraw/zinc/22/13/01/297221301.db2.gz BALNRQCBPZDTJC-UHFFFAOYSA-N -1 3 300.236 2.882 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2cccc(-c3c[nH]nn3)c2)c1 ZINC000443669190 297224616 /nfs/dbraw/zinc/22/46/16/297224616.db2.gz NUSSESLHILILLK-UHFFFAOYSA-N -1 3 308.341 2.992 20 0 DFADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000443728246 297225287 /nfs/dbraw/zinc/22/52/87/297225287.db2.gz BUDHOEMUIFFBFN-VIFPVBQESA-N -1 3 321.240 2.557 20 0 DFADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444058510 297229681 /nfs/dbraw/zinc/22/96/81/297229681.db2.gz OGAGHTPVOWENLG-HTQZYQBOSA-N -1 3 311.300 2.779 20 0 DFADHM COc1ccc(CNC(=O)c2cc3c(cc2[O-])CCCC3)nc1 ZINC000444479438 297237883 /nfs/dbraw/zinc/23/78/83/297237883.db2.gz MSRXZERCNHSTAI-UHFFFAOYSA-N -1 3 312.369 2.605 20 0 DFADHM COc1ccc(CNC(=O)c2ccc3c(c2[O-])CCCC3)nc1 ZINC000444491875 297238248 /nfs/dbraw/zinc/23/82/48/297238248.db2.gz AXUVIZLDOJSJKX-UHFFFAOYSA-N -1 3 312.369 2.605 20 0 DFADHM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1c[n-]nn1 ZINC000444756243 297248936 /nfs/dbraw/zinc/24/89/36/297248936.db2.gz RCAHJXBPPJVYBU-VIFPVBQESA-N -1 3 322.649 2.631 20 0 DFADHM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cnn[n-]1 ZINC000444756243 297248938 /nfs/dbraw/zinc/24/89/38/297248938.db2.gz RCAHJXBPPJVYBU-VIFPVBQESA-N -1 3 322.649 2.631 20 0 DFADHM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cn[n-]n1 ZINC000444756243 297248940 /nfs/dbraw/zinc/24/89/40/297248940.db2.gz RCAHJXBPPJVYBU-VIFPVBQESA-N -1 3 322.649 2.631 20 0 DFADHM Cc1csc(CCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)n1 ZINC000444826245 297252904 /nfs/dbraw/zinc/25/29/04/297252904.db2.gz ZFRMLVANZJDHRM-UHFFFAOYSA-N -1 3 317.374 2.709 20 0 DFADHM Cc1csc(CCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)n1 ZINC000444826245 297252905 /nfs/dbraw/zinc/25/29/05/297252905.db2.gz ZFRMLVANZJDHRM-UHFFFAOYSA-N -1 3 317.374 2.709 20 0 DFADHM Cc1csc(CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)n1 ZINC000444826245 297252906 /nfs/dbraw/zinc/25/29/06/297252906.db2.gz ZFRMLVANZJDHRM-UHFFFAOYSA-N -1 3 317.374 2.709 20 0 DFADHM Cc1cccc(C(=O)Nc2c[nH]nc2-c2nccs2)c1[O-] ZINC000446592676 297283314 /nfs/dbraw/zinc/28/33/14/297283314.db2.gz MDWKLQQHGPNRGE-UHFFFAOYSA-N -1 3 300.343 2.800 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1cccnc1 ZINC000448612934 297349002 /nfs/dbraw/zinc/34/90/02/297349002.db2.gz LFFSQJHRSJTCRW-OAHLLOKOSA-N -1 3 300.333 2.833 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1cccnc1)C1CC1 ZINC000448649361 297352522 /nfs/dbraw/zinc/35/25/22/297352522.db2.gz TWLURPBQJJOZJY-UHFFFAOYSA-N -1 3 300.333 2.660 20 0 DFADHM CCOCc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448680236 297355826 /nfs/dbraw/zinc/35/58/26/297355826.db2.gz ITRGIBHWFLDTPH-UHFFFAOYSA-N -1 3 317.360 2.927 20 0 DFADHM CC(C)N(Cc1cccnc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448743540 297363089 /nfs/dbraw/zinc/36/30/89/297363089.db2.gz HKWYBRSTQVESKL-UHFFFAOYSA-N -1 3 302.349 2.906 20 0 DFADHM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1[O-] ZINC000448759883 297364946 /nfs/dbraw/zinc/36/49/46/297364946.db2.gz DYHWMXLNVHDSKD-ZDUSSCGKSA-N -1 3 306.406 2.908 20 0 DFADHM C[C@@H](C1CC1)n1nccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448882302 297378622 /nfs/dbraw/zinc/37/86/22/297378622.db2.gz NRTAVQFMLYJNKT-JTQLQIEISA-N -1 3 303.337 2.880 20 0 DFADHM Cc1nc(C)c(CCNC(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000448937605 297380796 /nfs/dbraw/zinc/38/07/96/297380796.db2.gz MOABZWJUVPMRMX-UHFFFAOYSA-N -1 3 308.378 2.506 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H]1CCOc2ccccc21 ZINC000448940307 297381419 /nfs/dbraw/zinc/38/14/19/297381419.db2.gz GFOVDYPWNDOEFH-CYBMUJFWSA-N -1 3 315.344 2.756 20 0 DFADHM CC[C@](C)(NC(=O)Cc1ccc([O-])c(F)c1)c1nccs1 ZINC000449967357 297567711 /nfs/dbraw/zinc/56/77/11/297567711.db2.gz UIVRVTDDGBXWCY-HNNXBMFYSA-N -1 3 308.378 2.972 20 0 DFADHM Cc1c([N-]S(=O)(=O)CCCCF)cnn1C1CCCC1 ZINC000451036946 297735318 /nfs/dbraw/zinc/73/53/18/297735318.db2.gz NGXAESOZKJYZMQ-UHFFFAOYSA-N -1 3 303.403 2.798 20 0 DFADHM CC(C)Cn1ncc([N-]S(=O)(=O)CCCCF)c1C1CC1 ZINC000451051363 297738162 /nfs/dbraw/zinc/73/81/62/297738162.db2.gz UYPWBXGXVQMRAP-UHFFFAOYSA-N -1 3 317.430 2.908 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)C(C)(F)F ZINC000451072738 297742846 /nfs/dbraw/zinc/74/28/46/297742846.db2.gz XOAXRABEWCHNAC-VIFPVBQESA-N -1 3 300.330 2.557 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000451379580 297798402 /nfs/dbraw/zinc/79/84/02/297798402.db2.gz VWCOBDPEQGKXFU-SNVBAGLBSA-N -1 3 303.449 2.681 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000451560530 297835694 /nfs/dbraw/zinc/83/56/94/297835694.db2.gz VXSNMVLSHAOOBI-HZMBPMFUSA-N -1 3 309.412 2.857 20 0 DFADHM CC/C=C\C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000451772400 297872697 /nfs/dbraw/zinc/87/26/97/297872697.db2.gz JQDCLGHRCHSWJC-ARJAWSKDSA-N -1 3 322.199 2.833 20 0 DFADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2cccs2)C1)c1ccco1 ZINC000451965963 297906462 /nfs/dbraw/zinc/90/64/62/297906462.db2.gz NTKPVBZPDFFMRU-WDEREUQCSA-N -1 3 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315.402 2.642 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CCCC[C@H]1c1nccs1 ZINC000182787334 316118508 /nfs/dbraw/zinc/11/85/08/316118508.db2.gz SGJAZBWLMRBXMU-LBPRGKRZSA-N -1 3 313.386 2.782 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CCCC[C@H]1c1nccs1 ZINC000182787334 316118512 /nfs/dbraw/zinc/11/85/12/316118512.db2.gz SGJAZBWLMRBXMU-LBPRGKRZSA-N -1 3 313.386 2.782 20 0 DFADHM O=C(c1cccc2n[n-]nc21)N1CCCC[C@H]1c1nccs1 ZINC000182787334 316118517 /nfs/dbraw/zinc/11/85/17/316118517.db2.gz SGJAZBWLMRBXMU-LBPRGKRZSA-N -1 3 313.386 2.782 20 0 DFADHM O=C(c1cccc2[n-]nnc21)N1CC=C(c2ccc(O)cc2)CC1 ZINC000183364043 316140465 /nfs/dbraw/zinc/14/04/65/316140465.db2.gz UBSSHEZKTFXWOC-UHFFFAOYSA-N -1 3 320.352 2.593 20 0 DFADHM O=C(c1cccc2nn[n-]c21)N1CC=C(c2ccc(O)cc2)CC1 ZINC000183364043 316140470 /nfs/dbraw/zinc/14/04/70/316140470.db2.gz UBSSHEZKTFXWOC-UHFFFAOYSA-N -1 3 320.352 2.593 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@H](COCC(C)C)c2ccco2)n1 ZINC000184164642 316160411 /nfs/dbraw/zinc/16/04/11/316160411.db2.gz 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Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000681245428 545617397 /nfs/dbraw/zinc/61/73/97/545617397.db2.gz IVXSIUVDMZXCHV-UHFFFAOYSA-N -1 3 303.742 2.859 20 0 DFADHM CCOc1nc(C(=O)[N-]c2nc(C(F)(F)F)cs2)co1 ZINC000681511582 545657489 /nfs/dbraw/zinc/65/74/89/545657489.db2.gz VEDKJJMFOCHCAL-UHFFFAOYSA-N -1 3 307.253 2.801 20 0 DFADHM O=C(Nc1c[nH]ccc1=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000681725569 545708427 /nfs/dbraw/zinc/70/84/27/545708427.db2.gz RWIGVMVJPWJYCN-UHFFFAOYSA-N -1 3 320.761 2.732 20 0 DFADHM O=C(Nc1c[nH]ccc1=O)c1cn[n-]c1-c1ccc(Cl)s1 ZINC000681725569 545708430 /nfs/dbraw/zinc/70/84/30/545708430.db2.gz RWIGVMVJPWJYCN-UHFFFAOYSA-N -1 3 320.761 2.732 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)CC(F)(F)F)c1 ZINC000682024740 545777516 /nfs/dbraw/zinc/77/75/16/545777516.db2.gz YDCFFEKAGSGWHV-UHFFFAOYSA-N -1 3 318.295 2.811 20 0 DFADHM COc1cc(C(=O)NCC(C)(C)c2ccncc2)ccc1[O-] ZINC000682364008 545831119 /nfs/dbraw/zinc/83/11/19/545831119.db2.gz SRMSCXFPIFYVCK-UHFFFAOYSA-N -1 3 300.358 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/nfs/dbraw/zinc/15/00/33/546150033.db2.gz YDWSWJIRDNZUIC-GFCCVEGCSA-N -1 3 317.389 2.701 20 0 DFADHM O=S(=O)([N-][C@H]1CCc2ccccc2C1)c1cc(F)cc(F)c1 ZINC000684102660 546151889 /nfs/dbraw/zinc/15/18/89/546151889.db2.gz DUOVJQMNHRKIGY-HNNXBMFYSA-N -1 3 323.364 2.801 20 0 DFADHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000684153505 546159275 /nfs/dbraw/zinc/15/92/75/546159275.db2.gz ULDUPQTVCLCAPH-UHFFFAOYSA-N -1 3 315.358 2.661 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)c(-c3nnc[nH]3)c2)c1 ZINC000684187974 546166672 /nfs/dbraw/zinc/16/66/72/546166672.db2.gz JRVFNSOSIIOGOY-UHFFFAOYSA-N -1 3 312.304 2.877 20 0 DFADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1csc(=O)[n-]1 ZINC000684257313 546182420 /nfs/dbraw/zinc/18/24/20/546182420.db2.gz DPTJUMWDXNPZAX-LBPRGKRZSA-N -1 3 304.371 2.665 20 0 DFADHM O=C(NCc1ncccc1[O-])c1ccccc1Oc1cccnc1 ZINC000684350325 546197229 /nfs/dbraw/zinc/19/72/29/546197229.db2.gz KGEIDDDHGMOFPT-UHFFFAOYSA-N -1 3 321.336 2.905 20 0 DFADHM Cc1nn(C)c(Oc2ccccc2)c1CNCc1ncccc1[O-] ZINC000684416103 546212634 /nfs/dbraw/zinc/21/26/34/546212634.db2.gz TYVJLFPRANNWNV-UHFFFAOYSA-N -1 3 324.384 2.911 20 0 DFADHM O=C(CCC(F)F)NCc1ccc([O-])c(Br)c1 ZINC000684464165 546224901 /nfs/dbraw/zinc/22/49/01/546224901.db2.gz RITCCDLVZIHGND-UHFFFAOYSA-N -1 3 308.122 2.816 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1ccccc1OC(F)F)C(F)F ZINC000684599652 546250318 /nfs/dbraw/zinc/25/03/18/546250318.db2.gz RHQNZLDDJCQJDE-UHFFFAOYSA-N -1 3 315.288 2.610 20 0 DFADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]C(C)(C)C(F)F ZINC000684599784 546250346 /nfs/dbraw/zinc/25/03/46/546250346.db2.gz VXOMIIVZVIVYFU-UHFFFAOYSA-N -1 3 314.357 2.865 20 0 DFADHM O=C([N-]c1cnoc1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000684629649 546255337 /nfs/dbraw/zinc/25/53/37/546255337.db2.gz BAVINKFVYPLAOQ-UHFFFAOYSA-N -1 3 324.127 2.814 20 0 DFADHM O=S(=O)([N-]CC[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000684657591 546257915 /nfs/dbraw/zinc/25/79/15/546257915.db2.gz SIRUELYWGDVRBT-SNVBAGLBSA-N -1 3 324.229 2.841 20 0 DFADHM O=S(=O)([N-]C1CC=CC1)c1cccc(Br)c1F ZINC000684915050 546302534 /nfs/dbraw/zinc/30/25/34/546302534.db2.gz ZRJZVNBQLNREBY-UHFFFAOYSA-N -1 3 320.183 2.585 20 0 DFADHM O=C(c1cccc(C2CCC2)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000684924755 546303322 /nfs/dbraw/zinc/30/33/22/546303322.db2.gz JTCNABFPXAEECO-UHFFFAOYSA-N -1 3 309.369 2.648 20 0 DFADHM CCS(=O)(=O)c1ccccc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000685037574 546322086 /nfs/dbraw/zinc/32/20/86/546322086.db2.gz GPQWSBDYVSRHST-UHFFFAOYSA-N -1 3 320.370 2.598 20 0 DFADHM CC(=O)N1CCCN(Cc2nc(C)ccc2[O-])c2ccccc21 ZINC000685475619 546359331 /nfs/dbraw/zinc/35/93/31/546359331.db2.gz WBMOPUQYIJKJJJ-UHFFFAOYSA-N -1 3 311.385 2.859 20 0 DFADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000685758109 546388038 /nfs/dbraw/zinc/38/80/38/546388038.db2.gz FCFUVEALSUVKII-LPHOPBHVSA-N -1 3 318.380 2.932 20 0 DFADHM C[C@@]1(C(N)=O)CCCCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000685843385 546397191 /nfs/dbraw/zinc/39/71/91/546397191.db2.gz FWWOYHOBYJKTIA-AWEZNQCLSA-N -1 3 316.323 2.641 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736241300 599384175 /nfs/dbraw/zinc/38/41/75/599384175.db2.gz WWESWDUVKPNLBK-JFGNBEQYSA-N -1 3 317.418 2.721 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736241300 599384178 /nfs/dbraw/zinc/38/41/78/599384178.db2.gz WWESWDUVKPNLBK-JFGNBEQYSA-N -1 3 317.418 2.721 20 0 DFADHM CCCCSCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736462225 598827047 /nfs/dbraw/zinc/82/70/47/598827047.db2.gz CVLUHEUWAFCDTN-UHFFFAOYSA-N -1 3 306.391 2.696 20 0 DFADHM CCCCSCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736462225 598827048 /nfs/dbraw/zinc/82/70/48/598827048.db2.gz CVLUHEUWAFCDTN-UHFFFAOYSA-N -1 3 306.391 2.696 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000736239007 598838387 /nfs/dbraw/zinc/83/83/87/598838387.db2.gz FQWZZYXNWZVIGO-JTNHKYCSSA-N -1 3 314.393 2.813 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000736239007 598838389 /nfs/dbraw/zinc/83/83/89/598838389.db2.gz FQWZZYXNWZVIGO-JTNHKYCSSA-N -1 3 314.393 2.813 20 0 DFADHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(Cl)nc1 ZINC000825965946 608513549 /nfs/dbraw/zinc/51/35/49/608513549.db2.gz IPDYILRIXXOHDB-UHFFFAOYSA-N -1 3 320.809 2.609 20 0 DFADHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccc(Cl)nc1 ZINC000825965946 608513550 /nfs/dbraw/zinc/51/35/50/608513550.db2.gz IPDYILRIXXOHDB-UHFFFAOYSA-N -1 3 320.809 2.609 20 0 DFADHM C[C@@H]1CC(Nc2nc3c(cc2-c2nnn[n-]2)CCC3)C[C@@H](C)C1 ZINC000736226710 598856731 /nfs/dbraw/zinc/85/67/31/598856731.db2.gz XRDCEYAVFOGVQC-QWRGUYRKSA-N -1 3 312.421 2.987 20 0 DFADHM C[C@@H]1CC(Nc2nc3c(cc2-c2nn[n-]n2)CCC3)C[C@@H](C)C1 ZINC000736226710 598856732 /nfs/dbraw/zinc/85/67/32/598856732.db2.gz XRDCEYAVFOGVQC-QWRGUYRKSA-N -1 3 312.421 2.987 20 0 DFADHM Cc1ncsc1CCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC000737502681 598892696 /nfs/dbraw/zinc/89/26/96/598892696.db2.gz HPCXMGRGQJJHCX-UHFFFAOYSA-N -1 3 321.793 2.907 20 0 DFADHM Cc1ncsc1CCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC000737502681 598892697 /nfs/dbraw/zinc/89/26/97/598892697.db2.gz HPCXMGRGQJJHCX-UHFFFAOYSA-N -1 3 321.793 2.907 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCCC[C@@H]1C ZINC000737290010 598923327 /nfs/dbraw/zinc/92/33/27/598923327.db2.gz ASRJEUIIHUQXFU-LBPRGKRZSA-N -1 3 314.393 2.972 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCCC[C@@H]1C ZINC000737290010 598923329 /nfs/dbraw/zinc/92/33/29/598923329.db2.gz ASRJEUIIHUQXFU-LBPRGKRZSA-N -1 3 314.393 2.972 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000736244696 599376445 /nfs/dbraw/zinc/37/64/45/599376445.db2.gz MCVABQUVXCKNFG-TYNCELHUSA-N -1 3 314.389 2.777 20 0 DFADHM C[C@@H]1CC[C@@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736244696 599376448 /nfs/dbraw/zinc/37/64/48/599376448.db2.gz MCVABQUVXCKNFG-TYNCELHUSA-N -1 3 314.389 2.777 20 0 DFADHM C[C@@H]1CCCC[C@H]1N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736276538 598937050 /nfs/dbraw/zinc/93/70/50/598937050.db2.gz ZBOTXWOMDKBGFX-BXKDBHETSA-N -1 3 306.801 2.930 20 0 DFADHM C[C@@H]1CCCC[C@H]1N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736276538 598937052 /nfs/dbraw/zinc/93/70/52/598937052.db2.gz ZBOTXWOMDKBGFX-BXKDBHETSA-N -1 3 306.801 2.930 20 0 DFADHM CC(C)OCCCN(C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735896202 598971482 /nfs/dbraw/zinc/97/14/82/598971482.db2.gz MIBCHPPHVKJCPL-UHFFFAOYSA-N -1 3 309.801 2.771 20 0 DFADHM CC(C)OCCCN(C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735896202 598971483 /nfs/dbraw/zinc/97/14/83/598971483.db2.gz MIBCHPPHVKJCPL-UHFFFAOYSA-N -1 3 309.801 2.771 20 0 DFADHM CC[C@H]1CCC[C@H](Nc2nnc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736400486 598975219 /nfs/dbraw/zinc/97/52/19/598975219.db2.gz OTONDJWUHJFLPU-RYUDHWBXSA-N -1 3 301.398 2.654 20 0 DFADHM CC[C@H]1CCC[C@H](Nc2nnc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000736400486 598975221 /nfs/dbraw/zinc/97/52/21/598975221.db2.gz OTONDJWUHJFLPU-RYUDHWBXSA-N -1 3 301.398 2.654 20 0 DFADHM CCOC(=O)C[C@H](C)SCc1ccc(-c2nnn[n-]2)cc1F ZINC000736594209 599014385 /nfs/dbraw/zinc/01/43/85/599014385.db2.gz OPSGFBUHSXXQFW-VIFPVBQESA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)C[C@H](C)SCc1ccc(-c2nn[n-]n2)cc1F ZINC000736594209 599014387 /nfs/dbraw/zinc/01/43/87/599014387.db2.gz OPSGFBUHSXXQFW-VIFPVBQESA-N -1 3 324.381 2.581 20 0 DFADHM C[C@@H]1CCC[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736253071 599016780 /nfs/dbraw/zinc/01/67/80/599016780.db2.gz SQSVFJQOWUPDMX-OLZOCXBDSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@@H]1CCC[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736253071 599016782 /nfs/dbraw/zinc/01/67/82/599016782.db2.gz SQSVFJQOWUPDMX-OLZOCXBDSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@@H](Cc1ccccc1)OC(=O)c1sccc1-c1nnn[n-]1 ZINC000736057682 599026416 /nfs/dbraw/zinc/02/64/16/599026416.db2.gz JCBOIPGWOLSHLO-JTQLQIEISA-N -1 3 314.370 2.716 20 0 DFADHM Cc1c(NCCOc2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822122382 607257672 /nfs/dbraw/zinc/25/76/72/607257672.db2.gz LHWJUFIRIMIEHS-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1c(NCCOc2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822122382 607257673 /nfs/dbraw/zinc/25/76/73/607257673.db2.gz LHWJUFIRIMIEHS-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1csc([C@@H](Nc2ncccc2-c2nnn[n-]2)C2CC2)n1 ZINC000822408735 599044633 /nfs/dbraw/zinc/04/46/33/599044633.db2.gz HOHFKJRCNFGREU-NSHDSACASA-N -1 3 313.390 2.590 20 0 DFADHM Cc1csc([C@@H](Nc2ncccc2-c2nn[n-]n2)C2CC2)n1 ZINC000822408735 599044636 /nfs/dbraw/zinc/04/46/36/599044636.db2.gz HOHFKJRCNFGREU-NSHDSACASA-N -1 3 313.390 2.590 20 0 DFADHM C[C@H]1CN(c2ncccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820775935 599050663 /nfs/dbraw/zinc/05/06/63/599050663.db2.gz KEZQBVDEZCINBF-DZGCQCFKSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@H]1CN(c2ncccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820775935 599050666 /nfs/dbraw/zinc/05/06/66/599050666.db2.gz KEZQBVDEZCINBF-DZGCQCFKSA-N -1 3 320.400 2.892 20 0 DFADHM C[C@H](CCc1cccn1C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820254596 599054627 /nfs/dbraw/zinc/05/46/27/599054627.db2.gz RMTZILDLUWUILV-LLVKDONJSA-N -1 3 314.368 2.778 20 0 DFADHM C[C@H]1C[C@H](c2cccc(F)c2)N(c2ncccc2-c2nnn[n-]2)C1 ZINC000820666240 599060046 /nfs/dbraw/zinc/06/00/46/599060046.db2.gz HHJAVSPRGRQTRC-XHDPSFHLSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@H]1C[C@H](c2cccc(F)c2)N(c2ncccc2-c2nn[n-]n2)C1 ZINC000820666240 599060049 /nfs/dbraw/zinc/06/00/49/599060049.db2.gz HHJAVSPRGRQTRC-XHDPSFHLSA-N -1 3 324.363 2.988 20 0 DFADHM COC1CCC(N(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736959951 599061850 /nfs/dbraw/zinc/06/18/50/599061850.db2.gz BZZLHHJIWWQHOZ-UHFFFAOYSA-N -1 3 321.812 2.914 20 0 DFADHM COC1CCC(N(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736959951 599061853 /nfs/dbraw/zinc/06/18/53/599061853.db2.gz BZZLHHJIWWQHOZ-UHFFFAOYSA-N -1 3 321.812 2.914 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)CCC2 ZINC000737063305 599065263 /nfs/dbraw/zinc/06/52/63/599065263.db2.gz VMKXGVYNAPNIJI-UHFFFAOYSA-N -1 3 321.384 2.976 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)CCC2 ZINC000737063305 599065266 /nfs/dbraw/zinc/06/52/66/599065266.db2.gz VMKXGVYNAPNIJI-UHFFFAOYSA-N -1 3 321.384 2.976 20 0 DFADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1F ZINC000820275374 599066942 /nfs/dbraw/zinc/06/69/42/599066942.db2.gz PIYPNFGDZAJIIH-LLVKDONJSA-N -1 3 313.336 2.885 20 0 DFADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C1CCCCCCC1 ZINC000738112659 599068748 /nfs/dbraw/zinc/06/87/48/599068748.db2.gz QJLISSMOIJJGMY-UHFFFAOYSA-N -1 3 313.405 2.843 20 0 DFADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C1CCCCCCC1 ZINC000738112659 599068751 /nfs/dbraw/zinc/06/87/51/599068751.db2.gz QJLISSMOIJJGMY-UHFFFAOYSA-N -1 3 313.405 2.843 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)c2ccco2)s1 ZINC000736679483 599071869 /nfs/dbraw/zinc/07/18/69/599071869.db2.gz UZWOPQYPNZKQDF-MRVPVSSYSA-N -1 3 317.374 2.826 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)c2ccco2)s1 ZINC000736679483 599071873 /nfs/dbraw/zinc/07/18/73/599071873.db2.gz UZWOPQYPNZKQDF-MRVPVSSYSA-N -1 3 317.374 2.826 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000737058808 599073517 /nfs/dbraw/zinc/07/35/17/599073517.db2.gz OMKAGTYHIIKIGK-ZYHUDNBSSA-N -1 3 315.377 2.640 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000737058808 599073519 /nfs/dbraw/zinc/07/35/19/599073519.db2.gz OMKAGTYHIIKIGK-ZYHUDNBSSA-N -1 3 315.377 2.640 20 0 DFADHM C[C@@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000820776948 599074948 /nfs/dbraw/zinc/07/49/48/599074948.db2.gz NZFAARPRQUOPOF-DTORHVGOSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820776948 599074951 /nfs/dbraw/zinc/07/49/51/599074951.db2.gz NZFAARPRQUOPOF-DTORHVGOSA-N -1 3 309.826 2.850 20 0 DFADHM FC(F)(F)c1cc(N[C@H]2CCSC2)ccc1-c1nnn[n-]1 ZINC000822723846 599078267 /nfs/dbraw/zinc/07/82/67/599078267.db2.gz QRHAGJLGDRCCAD-QMMMGPOBSA-N -1 3 315.324 2.803 20 0 DFADHM FC(F)(F)c1cc(N[C@H]2CCSC2)ccc1-c1nn[n-]n1 ZINC000822723846 599078269 /nfs/dbraw/zinc/07/82/69/599078269.db2.gz QRHAGJLGDRCCAD-QMMMGPOBSA-N -1 3 315.324 2.803 20 0 DFADHM O[C@H](CCNc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000823675132 599086935 /nfs/dbraw/zinc/08/69/35/599086935.db2.gz VDZQOTUTNMAFOA-CQSZACIVSA-N -1 3 313.336 2.541 20 0 DFADHM O[C@H](CCNc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000823675132 599086938 /nfs/dbraw/zinc/08/69/38/599086938.db2.gz VDZQOTUTNMAFOA-CQSZACIVSA-N -1 3 313.336 2.541 20 0 DFADHM CCC(CC)(CC)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736335635 599088730 /nfs/dbraw/zinc/08/87/30/599088730.db2.gz UGMKDFPJZOIGRL-VAWYXSNFSA-N -1 3 313.405 2.965 20 0 DFADHM CCC(CC)(CC)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736335635 599088733 /nfs/dbraw/zinc/08/87/33/599088733.db2.gz UGMKDFPJZOIGRL-VAWYXSNFSA-N -1 3 313.405 2.965 20 0 DFADHM Fc1cccc(N2CCC(C(F)(F)F)CC2)c1-c1nnn[n-]1 ZINC000822791017 599091452 /nfs/dbraw/zinc/09/14/52/599091452.db2.gz DRUPOUWSXGGJOE-UHFFFAOYSA-N -1 3 315.274 2.785 20 0 DFADHM Fc1cccc(N2CCC(C(F)(F)F)CC2)c1-c1nn[n-]n1 ZINC000822791017 599091454 /nfs/dbraw/zinc/09/14/54/599091454.db2.gz DRUPOUWSXGGJOE-UHFFFAOYSA-N -1 3 315.274 2.785 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1sccc1-c1nnn[n-]1 ZINC000738020225 599096087 /nfs/dbraw/zinc/09/60/87/599096087.db2.gz MEKCKVCBZVAOSB-VXGBXAGGSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1sccc1-c1nn[n-]n1 ZINC000738020225 599096090 /nfs/dbraw/zinc/09/60/90/599096090.db2.gz MEKCKVCBZVAOSB-VXGBXAGGSA-N -1 3 317.418 2.627 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)C(C)(C)C ZINC000735572972 599144670 /nfs/dbraw/zinc/14/46/70/599144670.db2.gz ZLYCOROBBULLRR-VIFPVBQESA-N -1 3 306.341 2.731 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)C(C)(C)C ZINC000735572972 599144673 /nfs/dbraw/zinc/14/46/73/599144673.db2.gz ZLYCOROBBULLRR-VIFPVBQESA-N -1 3 306.341 2.731 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc2cc[nH]c21 ZINC000823337519 599152583 /nfs/dbraw/zinc/15/25/83/599152583.db2.gz NAGRFJBNVGJESY-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc2cc[nH]c21 ZINC000823337519 599152586 /nfs/dbraw/zinc/15/25/86/599152586.db2.gz NAGRFJBNVGJESY-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM COc1ccc(-c2nc3cc(F)ccc3n2C)cc1-c1nnn[n-]1 ZINC000821733070 599156219 /nfs/dbraw/zinc/15/62/19/599156219.db2.gz ZKTODVUIHOMOPO-UHFFFAOYSA-N -1 3 324.319 2.568 20 0 DFADHM COc1ccc(-c2nc3cc(F)ccc3n2C)cc1-c1nn[n-]n1 ZINC000821733070 599156221 /nfs/dbraw/zinc/15/62/21/599156221.db2.gz ZKTODVUIHOMOPO-UHFFFAOYSA-N -1 3 324.319 2.568 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H]1c1ccco1 ZINC000737565818 599169803 /nfs/dbraw/zinc/16/98/03/599169803.db2.gz XVVQBSYLZZWIGD-LLVKDONJSA-N -1 3 316.752 2.850 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H]1c1ccco1 ZINC000737565818 599169805 /nfs/dbraw/zinc/16/98/05/599169805.db2.gz XVVQBSYLZZWIGD-LLVKDONJSA-N -1 3 316.752 2.850 20 0 DFADHM CC(C)c1nnc(CSc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000735953277 599172672 /nfs/dbraw/zinc/17/26/72/599172672.db2.gz SGXQQJOCKXLTLK-UHFFFAOYSA-N -1 3 320.353 2.805 20 0 DFADHM CC(C)c1nnc(CSc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000735953277 599172675 /nfs/dbraw/zinc/17/26/75/599172675.db2.gz SGXQQJOCKXLTLK-UHFFFAOYSA-N -1 3 320.353 2.805 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1ccco1 ZINC000738150993 599181826 /nfs/dbraw/zinc/18/18/26/599181826.db2.gz FDAUCTWTGXIYKL-CYBMUJFWSA-N -1 3 324.344 2.829 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1ccco1 ZINC000738150993 599181831 /nfs/dbraw/zinc/18/18/31/599181831.db2.gz FDAUCTWTGXIYKL-CYBMUJFWSA-N -1 3 324.344 2.829 20 0 DFADHM COCCCCCSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000736978096 599192520 /nfs/dbraw/zinc/19/25/20/599192520.db2.gz DGBVBEJPXAEBNG-UHFFFAOYSA-N -1 3 307.423 2.787 20 0 DFADHM COCCCCCSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000736978096 599192523 /nfs/dbraw/zinc/19/25/23/599192523.db2.gz DGBVBEJPXAEBNG-UHFFFAOYSA-N -1 3 307.423 2.787 20 0 DFADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000821034015 599195024 /nfs/dbraw/zinc/19/50/24/599195024.db2.gz HOADDVUSUFGUNG-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000821034015 599195025 /nfs/dbraw/zinc/19/50/25/599195025.db2.gz HOADDVUSUFGUNG-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735671682 599196221 /nfs/dbraw/zinc/19/62/21/599196221.db2.gz ANVHQJIIETXBGR-UHFFFAOYSA-N -1 3 313.386 2.593 20 0 DFADHM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735671682 599196223 /nfs/dbraw/zinc/19/62/23/599196223.db2.gz ANVHQJIIETXBGR-UHFFFAOYSA-N -1 3 313.386 2.593 20 0 DFADHM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000820741360 599205937 /nfs/dbraw/zinc/20/59/37/599205937.db2.gz CGUVKVHSPSRXSI-LRDDRELGSA-N -1 3 319.368 2.700 20 0 DFADHM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000820741360 599205939 /nfs/dbraw/zinc/20/59/39/599205939.db2.gz CGUVKVHSPSRXSI-LRDDRELGSA-N -1 3 319.368 2.700 20 0 DFADHM COCCCCCSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736980289 599210260 /nfs/dbraw/zinc/21/02/60/599210260.db2.gz YWRWLIQFDPRARD-UHFFFAOYSA-N -1 3 322.434 2.795 20 0 DFADHM C[C@H](COC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736036650 599214484 /nfs/dbraw/zinc/21/44/84/599214484.db2.gz FVPASGAXNFNWLL-GFCCVEGCSA-N -1 3 308.341 2.827 20 0 DFADHM C[C@H](COC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736036650 599214487 /nfs/dbraw/zinc/21/44/87/599214487.db2.gz FVPASGAXNFNWLL-GFCCVEGCSA-N -1 3 308.341 2.827 20 0 DFADHM CC(C)C(NC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000820028418 607260343 /nfs/dbraw/zinc/26/03/43/607260343.db2.gz YYPGZMITNOKSOU-UHFFFAOYSA-N -1 3 302.382 2.669 20 0 DFADHM CC(C)C(NC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000820028418 607260344 /nfs/dbraw/zinc/26/03/44/607260344.db2.gz YYPGZMITNOKSOU-UHFFFAOYSA-N -1 3 302.382 2.669 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820870326 599227402 /nfs/dbraw/zinc/22/74/02/599227402.db2.gz QNOWJIYHLFSSRY-GHMZBOCLSA-N -1 3 318.450 2.978 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820870326 599227404 /nfs/dbraw/zinc/22/74/04/599227404.db2.gz QNOWJIYHLFSSRY-GHMZBOCLSA-N -1 3 318.450 2.978 20 0 DFADHM CCOc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821427563 607266665 /nfs/dbraw/zinc/26/66/65/607266665.db2.gz VMTWKXYIMOUAJX-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCOc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821427563 607266666 /nfs/dbraw/zinc/26/66/66/607266666.db2.gz VMTWKXYIMOUAJX-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818075857 597070543 /nfs/dbraw/zinc/07/05/43/597070543.db2.gz RJZJCYBEVOUWJR-STQMWFEESA-N -1 3 315.373 2.984 20 0 DFADHM CC[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736402598 599239829 /nfs/dbraw/zinc/23/98/29/599239829.db2.gz OPTNJQZRGMHPAJ-GFCCVEGCSA-N -1 3 314.393 2.911 20 0 DFADHM CC[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736402598 599239830 /nfs/dbraw/zinc/23/98/30/599239830.db2.gz OPTNJQZRGMHPAJ-GFCCVEGCSA-N -1 3 314.393 2.911 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821476093 607270168 /nfs/dbraw/zinc/27/01/68/607270168.db2.gz HBEXKYGENCHRGE-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821476093 607270169 /nfs/dbraw/zinc/27/01/69/607270169.db2.gz HBEXKYGENCHRGE-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM Cc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822235140 607269320 /nfs/dbraw/zinc/26/93/20/607269320.db2.gz VDEICVAOEDMEIA-UHFFFAOYSA-N -1 3 313.386 2.726 20 0 DFADHM Cc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822235140 607269321 /nfs/dbraw/zinc/26/93/21/607269321.db2.gz VDEICVAOEDMEIA-UHFFFAOYSA-N -1 3 313.386 2.726 20 0 DFADHM O=C(/C=C/C1CCCCC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737796261 599246801 /nfs/dbraw/zinc/24/68/01/599246801.db2.gz NKGYTTFVRRBKBT-MDZDMXLPSA-N -1 3 311.389 2.619 20 0 DFADHM O=C(/C=C/C1CCCCC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737796261 599246802 /nfs/dbraw/zinc/24/68/02/599246802.db2.gz NKGYTTFVRRBKBT-MDZDMXLPSA-N -1 3 311.389 2.619 20 0 DFADHM Cc1c(NC(=O)N2CCCC(C)(C)C2)cccc1-c1nnn[n-]1 ZINC000822084533 607282998 /nfs/dbraw/zinc/28/29/98/607282998.db2.gz MHVVBSLMRXUIAQ-UHFFFAOYSA-N -1 3 314.393 2.829 20 0 DFADHM Cc1c(NC(=O)N2CCCC(C)(C)C2)cccc1-c1nn[n-]n1 ZINC000822084533 607282999 /nfs/dbraw/zinc/28/29/99/607282999.db2.gz MHVVBSLMRXUIAQ-UHFFFAOYSA-N -1 3 314.393 2.829 20 0 DFADHM Cc1c([C@@H](C)NCCCC(=O)[O-])nnn1-c1ccc(Cl)cc1 ZINC000818772688 597249101 /nfs/dbraw/zinc/24/91/01/597249101.db2.gz JCVDKYYSINHKMV-SNVBAGLBSA-N -1 3 322.796 2.745 20 0 DFADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820967666 607280377 /nfs/dbraw/zinc/28/03/77/607280377.db2.gz SLUHIUFZZNGKBC-JQWIXIFHSA-N -1 3 314.393 2.827 20 0 DFADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820967666 607280378 /nfs/dbraw/zinc/28/03/78/607280378.db2.gz SLUHIUFZZNGKBC-JQWIXIFHSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)NCC2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822097071 607282620 /nfs/dbraw/zinc/28/26/20/607282620.db2.gz ULBDGFBQGBAQSE-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM Cc1c(NC(=O)NCC2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822097071 607282621 /nfs/dbraw/zinc/28/26/21/607282621.db2.gz ULBDGFBQGBAQSE-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM Cc1c(NC(=O)N(C)[C@@H](C)C(C)C)cccc1-c1nnn[n-]1 ZINC000822076063 607288748 /nfs/dbraw/zinc/28/87/48/607288748.db2.gz LFKQKRAKYHYWSK-NSHDSACASA-N -1 3 302.382 2.683 20 0 DFADHM Cc1c(NC(=O)N(C)[C@@H](C)C(C)C)cccc1-c1nn[n-]n1 ZINC000822076063 607288749 /nfs/dbraw/zinc/28/87/49/607288749.db2.gz LFKQKRAKYHYWSK-NSHDSACASA-N -1 3 302.382 2.683 20 0 DFADHM Cc1c(NC(=O)N(C)C2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822076668 607288869 /nfs/dbraw/zinc/28/88/69/607288869.db2.gz QEGXVPNYVRRRLT-UHFFFAOYSA-N -1 3 314.393 2.972 20 0 DFADHM Cc1c(NC(=O)N(C)C2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822076668 607288870 /nfs/dbraw/zinc/28/88/70/607288870.db2.gz QEGXVPNYVRRRLT-UHFFFAOYSA-N -1 3 314.393 2.972 20 0 DFADHM CC[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000820979078 607283624 /nfs/dbraw/zinc/28/36/24/607283624.db2.gz DXVAUGCYYOBHTC-LBPRGKRZSA-N -1 3 314.393 2.829 20 0 DFADHM CC[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000820979078 607283625 /nfs/dbraw/zinc/28/36/25/607283625.db2.gz DXVAUGCYYOBHTC-LBPRGKRZSA-N -1 3 314.393 2.829 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000820950152 607283735 /nfs/dbraw/zinc/28/37/35/607283735.db2.gz KDGFWVXCINCKRB-INIZCTEOSA-N -1 3 314.393 2.829 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000820950152 607283736 /nfs/dbraw/zinc/28/37/36/607283736.db2.gz KDGFWVXCINCKRB-INIZCTEOSA-N -1 3 314.393 2.829 20 0 DFADHM Cc1c(NC(=O)N2CCCCCC2)cccc1-c1nnn[n-]1 ZINC000822084995 607285771 /nfs/dbraw/zinc/28/57/71/607285771.db2.gz VBFWHYCDKWGXOD-UHFFFAOYSA-N -1 3 300.366 2.583 20 0 DFADHM Cc1c(NC(=O)N2CCCCCC2)cccc1-c1nn[n-]n1 ZINC000822084995 607285772 /nfs/dbraw/zinc/28/57/72/607285772.db2.gz VBFWHYCDKWGXOD-UHFFFAOYSA-N -1 3 300.366 2.583 20 0 DFADHM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C)c1 ZINC000821773003 607294798 /nfs/dbraw/zinc/29/47/98/607294798.db2.gz WRBHDPHANUCQEI-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C)c1 ZINC000821773003 607294799 /nfs/dbraw/zinc/29/47/99/607294799.db2.gz WRBHDPHANUCQEI-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM Cc1ccc([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)o1 ZINC000822227396 607297040 /nfs/dbraw/zinc/29/70/40/607297040.db2.gz HCQVTOFVDUSRCL-NSHDSACASA-N -1 3 311.345 2.819 20 0 DFADHM Cc1ccc([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)o1 ZINC000822227396 607297041 /nfs/dbraw/zinc/29/70/41/607297041.db2.gz HCQVTOFVDUSRCL-NSHDSACASA-N -1 3 311.345 2.819 20 0 DFADHM O=C(Oc1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738250136 599263288 /nfs/dbraw/zinc/26/32/88/599263288.db2.gz CUWSUFVQAJQFAC-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738250136 599263289 /nfs/dbraw/zinc/26/32/89/599263289.db2.gz CUWSUFVQAJQFAC-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM c1cnn(-c2cccc(NCc3cc(-c4nnn[n-]4)cs3)c2)c1 ZINC000823756496 607312113 /nfs/dbraw/zinc/31/21/13/607312113.db2.gz ALYDOODLFBZILL-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM c1cnn(-c2cccc(NCc3cc(-c4nn[n-]n4)cs3)c2)c1 ZINC000823756496 607312114 /nfs/dbraw/zinc/31/21/14/607312114.db2.gz ALYDOODLFBZILL-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM C/C=C(\C)C(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OCC ZINC000820825938 607304388 /nfs/dbraw/zinc/30/43/88/607304388.db2.gz HTQACSTZWJECAU-XBXARRHUSA-N -1 3 322.752 2.790 20 0 DFADHM C/C=C(\C)C(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OCC ZINC000820825938 607304389 /nfs/dbraw/zinc/30/43/89/607304389.db2.gz HTQACSTZWJECAU-XBXARRHUSA-N -1 3 322.752 2.790 20 0 DFADHM Fc1ccc(NCc2ccc3c(c2)COC3)c(-c2nnn[n-]2)c1 ZINC000822783019 607305728 /nfs/dbraw/zinc/30/57/28/607305728.db2.gz QFNBAPSYCYZCOW-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM Fc1ccc(NCc2ccc3c(c2)COC3)c(-c2nn[n-]n2)c1 ZINC000822783019 607305729 /nfs/dbraw/zinc/30/57/29/607305729.db2.gz QFNBAPSYCYZCOW-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820696570 599585440 /nfs/dbraw/zinc/58/54/40/599585440.db2.gz AYRDXIJZQPUWCY-NXEZZACHSA-N -1 3 306.801 2.930 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820696570 599585441 /nfs/dbraw/zinc/58/54/41/599585441.db2.gz AYRDXIJZQPUWCY-NXEZZACHSA-N -1 3 306.801 2.930 20 0 DFADHM Cc1cc(C)cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737251959 599306088 /nfs/dbraw/zinc/30/60/88/599306088.db2.gz GCNLJPKBRIHSCQ-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM Cc1cc(C)cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737251959 599306090 /nfs/dbraw/zinc/30/60/90/599306090.db2.gz GCNLJPKBRIHSCQ-UHFFFAOYSA-N -1 3 307.357 2.760 20 0 DFADHM CCCCCSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736451055 599276309 /nfs/dbraw/zinc/27/63/09/599276309.db2.gz GIAZTFPQBINHQY-UHFFFAOYSA-N -1 3 305.407 2.729 20 0 DFADHM CCCCCSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736451055 599276311 /nfs/dbraw/zinc/27/63/11/599276311.db2.gz GIAZTFPQBINHQY-UHFFFAOYSA-N -1 3 305.407 2.729 20 0 DFADHM CC(C)C(NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820021053 607319969 /nfs/dbraw/zinc/31/99/69/607319969.db2.gz OVTNTKRASZNLCI-UHFFFAOYSA-N -1 3 315.421 2.596 20 0 DFADHM CC(C)C(NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820021053 607319970 /nfs/dbraw/zinc/31/99/70/607319970.db2.gz OVTNTKRASZNLCI-UHFFFAOYSA-N -1 3 315.421 2.596 20 0 DFADHM CNc1nnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736888761 599288694 /nfs/dbraw/zinc/28/86/94/599288694.db2.gz NYYNBMXLOZMDNU-ZETCQYMHSA-N -1 3 319.419 2.613 20 0 DFADHM CNc1nnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736888761 599288696 /nfs/dbraw/zinc/28/86/96/599288696.db2.gz NYYNBMXLOZMDNU-ZETCQYMHSA-N -1 3 319.419 2.613 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@H]1CSc2ccccc21 ZINC000738250157 599291411 /nfs/dbraw/zinc/29/14/11/599291411.db2.gz DBXZKCQDQKIQHM-ZDUSSCGKSA-N -1 3 324.365 2.662 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1CSc2ccccc21 ZINC000738250157 599291414 /nfs/dbraw/zinc/29/14/14/599291414.db2.gz DBXZKCQDQKIQHM-ZDUSSCGKSA-N -1 3 324.365 2.662 20 0 DFADHM O=C([O-])C1CCC(NCc2nccn2Cc2ccccc2)CC1 ZINC000821504298 598109047 /nfs/dbraw/zinc/10/90/47/598109047.db2.gz RYCFUKUKBHLVIH-UHFFFAOYSA-N -1 3 313.401 2.664 20 0 DFADHM CC(C)(C)Oc1cccc(CN2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000819927148 598112225 /nfs/dbraw/zinc/11/22/25/598112225.db2.gz CZYFNUPHEWIYSE-ZDUSSCGKSA-N -1 3 306.406 2.946 20 0 DFADHM C[C@H](NC1CCC(C(=O)[O-])CC1)c1cn(-c2ccccc2)nn1 ZINC000820136312 598135581 /nfs/dbraw/zinc/13/55/81/598135581.db2.gz PLLHYFWOFLPKNH-HSBZDZAISA-N -1 3 314.389 2.561 20 0 DFADHM CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000736431316 598234091 /nfs/dbraw/zinc/23/40/91/598234091.db2.gz MWVRICWWZQXDEF-OAHLLOKOSA-N -1 3 322.372 2.533 20 0 DFADHM CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000736431316 598234092 /nfs/dbraw/zinc/23/40/92/598234092.db2.gz MWVRICWWZQXDEF-OAHLLOKOSA-N -1 3 322.372 2.533 20 0 DFADHM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736326651 598240892 /nfs/dbraw/zinc/24/08/92/598240892.db2.gz CBGALRVLHMKEPJ-RYUDHWBXSA-N -1 3 313.405 2.906 20 0 DFADHM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736326651 598240893 /nfs/dbraw/zinc/24/08/93/598240893.db2.gz CBGALRVLHMKEPJ-RYUDHWBXSA-N -1 3 313.405 2.906 20 0 DFADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCC1CCCC1 ZINC000737853908 598307147 /nfs/dbraw/zinc/30/71/47/598307147.db2.gz OTZPXYFVEGOJCP-UHFFFAOYSA-N -1 3 314.389 2.923 20 0 DFADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCCC1CCCC1 ZINC000737853908 598307149 /nfs/dbraw/zinc/30/71/49/598307149.db2.gz OTZPXYFVEGOJCP-UHFFFAOYSA-N -1 3 314.389 2.923 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000737308704 598311937 /nfs/dbraw/zinc/31/19/37/598311937.db2.gz MWVPKYFUJDSUCM-UHFFFAOYSA-N -1 3 317.349 2.652 20 0 DFADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000737308704 598311939 /nfs/dbraw/zinc/31/19/39/598311939.db2.gz MWVPKYFUJDSUCM-UHFFFAOYSA-N -1 3 317.349 2.652 20 0 DFADHM CCCN(Cc1cc(-c2nnn[n-]2)ccc1F)CC(F)(F)F ZINC000736478431 598312333 /nfs/dbraw/zinc/31/23/33/598312333.db2.gz AGPMOOBVVCDQCO-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM CCCN(Cc1cc(-c2nn[n-]n2)ccc1F)CC(F)(F)F ZINC000736478431 598312334 /nfs/dbraw/zinc/31/23/34/598312334.db2.gz AGPMOOBVVCDQCO-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM Fc1ccc(-c2ccn(Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000737649225 598312772 /nfs/dbraw/zinc/31/27/72/598312772.db2.gz DNKXMJUTUZHMCR-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1ccc(-c2ccn(Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000737649225 598312774 /nfs/dbraw/zinc/31/27/74/598312774.db2.gz DNKXMJUTUZHMCR-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM CCC(CC)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736346252 598317347 /nfs/dbraw/zinc/31/73/47/598317347.db2.gz WKULPUVVQXXCGO-UHFFFAOYSA-N -1 3 324.841 2.995 20 0 DFADHM CCC(CC)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736346252 598317349 /nfs/dbraw/zinc/31/73/49/598317349.db2.gz WKULPUVVQXXCGO-UHFFFAOYSA-N -1 3 324.841 2.995 20 0 DFADHM Cc1cc(F)ccc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000822205928 607349801 /nfs/dbraw/zinc/34/98/01/607349801.db2.gz NPPVVLRJHLMSTR-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cc(F)ccc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000822205928 607349802 /nfs/dbraw/zinc/34/98/02/607349802.db2.gz NPPVVLRJHLMSTR-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM C[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000736126916 598318215 /nfs/dbraw/zinc/31/82/15/598318215.db2.gz PGOAPGSQUKDYHG-ZETCQYMHSA-N -1 3 322.825 2.605 20 0 DFADHM C[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000736126916 598318217 /nfs/dbraw/zinc/31/82/17/598318217.db2.gz PGOAPGSQUKDYHG-ZETCQYMHSA-N -1 3 322.825 2.605 20 0 DFADHM COc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000737042833 598359411 /nfs/dbraw/zinc/35/94/11/598359411.db2.gz SKSPBXNMYUMENJ-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM COc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000737042833 598359413 /nfs/dbraw/zinc/35/94/13/598359413.db2.gz SKSPBXNMYUMENJ-UHFFFAOYSA-N -1 3 324.340 2.541 20 0 DFADHM CN(Cc1ccccc1F)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736827771 598386508 /nfs/dbraw/zinc/38/65/08/598386508.db2.gz BDQFMPWUJJPJII-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1ccccc1F)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736827771 598386510 /nfs/dbraw/zinc/38/65/10/598386510.db2.gz BDQFMPWUJJPJII-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1cccs1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736830309 598386556 /nfs/dbraw/zinc/38/65/56/598386556.db2.gz UKEIDANAJHGPGW-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CN(Cc1cccs1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736830309 598386558 /nfs/dbraw/zinc/38/65/58/598386558.db2.gz UKEIDANAJHGPGW-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM Cc1ccccc1C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737420285 598386739 /nfs/dbraw/zinc/38/67/39/598386739.db2.gz FQRMAPADOZTRLK-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM Cc1ccccc1C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737420285 598386741 /nfs/dbraw/zinc/38/67/41/598386741.db2.gz FQRMAPADOZTRLK-UHFFFAOYSA-N -1 3 320.400 2.954 20 0 DFADHM COc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737153502 598387214 /nfs/dbraw/zinc/38/72/14/598387214.db2.gz RUXBYRMWDYHVPE-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737153502 598387216 /nfs/dbraw/zinc/38/72/16/598387216.db2.gz RUXBYRMWDYHVPE-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM C[C@@H]1CCC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000736249898 598388868 /nfs/dbraw/zinc/38/88/68/598388868.db2.gz LOHFERFPIZJSDA-KOLCDFICSA-N -1 3 306.801 2.930 20 0 DFADHM C[C@@H]1CCC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000736249898 598388870 /nfs/dbraw/zinc/38/88/70/598388870.db2.gz LOHFERFPIZJSDA-KOLCDFICSA-N -1 3 306.801 2.930 20 0 DFADHM Cc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000737356587 598396447 /nfs/dbraw/zinc/39/64/47/598396447.db2.gz HUROVXCLKMFUQC-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM O=C(CC1=CCCCC1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737808735 598397715 /nfs/dbraw/zinc/39/77/15/598397715.db2.gz QXKYLFNABPEPNQ-UHFFFAOYSA-N -1 3 315.352 2.513 20 0 DFADHM O=C(CC1=CCCCC1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737808735 598397716 /nfs/dbraw/zinc/39/77/16/598397716.db2.gz QXKYLFNABPEPNQ-UHFFFAOYSA-N -1 3 315.352 2.513 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737371528 598398893 /nfs/dbraw/zinc/39/88/93/598398893.db2.gz GFSBEBMSFLDTAI-INIZCTEOSA-N -1 3 319.368 2.592 20 0 DFADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737371528 598398894 /nfs/dbraw/zinc/39/88/94/598398894.db2.gz GFSBEBMSFLDTAI-INIZCTEOSA-N -1 3 319.368 2.592 20 0 DFADHM CC(C)CCNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000735811706 598413845 /nfs/dbraw/zinc/41/38/45/598413845.db2.gz RGRROSWVFFUKBA-LLVKDONJSA-N -1 3 319.434 2.510 20 0 DFADHM CC(C)CCNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000735811706 598413846 /nfs/dbraw/zinc/41/38/46/598413846.db2.gz RGRROSWVFFUKBA-LLVKDONJSA-N -1 3 319.434 2.510 20 0 DFADHM CC(C)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735928662 598437631 /nfs/dbraw/zinc/43/76/31/598437631.db2.gz ORWGDNCEXZYBQL-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735928662 598437632 /nfs/dbraw/zinc/43/76/32/598437632.db2.gz ORWGDNCEXZYBQL-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]ccc2c1 ZINC000738230657 598475843 /nfs/dbraw/zinc/47/58/43/598475843.db2.gz HWTSLOFRWNWFIR-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]ccc2c1 ZINC000738230657 598475845 /nfs/dbraw/zinc/47/58/45/598475845.db2.gz HWTSLOFRWNWFIR-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc2[nH]ccc2c1 ZINC000738231571 598476093 /nfs/dbraw/zinc/47/60/93/598476093.db2.gz CIEIWMCDSJUUSD-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc2[nH]ccc2c1 ZINC000738231571 598476094 /nfs/dbraw/zinc/47/60/94/598476094.db2.gz CIEIWMCDSJUUSD-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM CC(C)CO[C@@H](C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000735839158 598481085 /nfs/dbraw/zinc/48/10/85/598481085.db2.gz LQRJIPITEGRGAV-NEPJUHHUSA-N -1 3 318.377 2.532 20 0 DFADHM CC(C)CO[C@@H](C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000735839158 598481087 /nfs/dbraw/zinc/48/10/87/598481087.db2.gz LQRJIPITEGRGAV-NEPJUHHUSA-N -1 3 318.377 2.532 20 0 DFADHM CC(C)Oc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735913262 598485866 /nfs/dbraw/zinc/48/58/66/598485866.db2.gz LYMVMMBIFUZOSP-UHFFFAOYSA-N -1 3 324.340 2.873 20 0 DFADHM CC(C)Oc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735913262 598485868 /nfs/dbraw/zinc/48/58/68/598485868.db2.gz LYMVMMBIFUZOSP-UHFFFAOYSA-N -1 3 324.340 2.873 20 0 DFADHM COc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737071599 598490762 /nfs/dbraw/zinc/49/07/62/598490762.db2.gz JLQHRALKUAYVOB-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM COc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737071599 598490764 /nfs/dbraw/zinc/49/07/64/598490764.db2.gz JLQHRALKUAYVOB-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM CCCO[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736489011 598503128 /nfs/dbraw/zinc/50/31/28/598503128.db2.gz SBDKGFRGDGCTFO-LBPRGKRZSA-N -1 3 319.384 2.791 20 0 DFADHM CCCO[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736489011 598503130 /nfs/dbraw/zinc/50/31/30/598503130.db2.gz SBDKGFRGDGCTFO-LBPRGKRZSA-N -1 3 319.384 2.791 20 0 DFADHM CCCO[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736488282 598503289 /nfs/dbraw/zinc/50/32/89/598503289.db2.gz NKAITYQYABEDDQ-CYBMUJFWSA-N -1 3 319.384 2.791 20 0 DFADHM CC(C)c1nc(CSCc2cccc(-c3nnn[n-]3)c2)no1 ZINC000735940002 598511522 /nfs/dbraw/zinc/51/15/22/598511522.db2.gz OCCJQAYBOHKELA-UHFFFAOYSA-N -1 3 316.390 2.807 20 0 DFADHM CC(C)c1nc(CSCc2cccc(-c3nn[n-]n3)c2)no1 ZINC000735940002 598511523 /nfs/dbraw/zinc/51/15/23/598511523.db2.gz OCCJQAYBOHKELA-UHFFFAOYSA-N -1 3 316.390 2.807 20 0 DFADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736443153 598520213 /nfs/dbraw/zinc/52/02/13/598520213.db2.gz ZYXJKLGLECQVLY-SWLSCSKDSA-N -1 3 313.405 2.955 20 0 DFADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736443153 598520215 /nfs/dbraw/zinc/52/02/15/598520215.db2.gz ZYXJKLGLECQVLY-SWLSCSKDSA-N -1 3 313.405 2.955 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000735760886 598530969 /nfs/dbraw/zinc/53/09/69/598530969.db2.gz JQMYBDBXFKCKIE-GFCCVEGCSA-N -1 3 302.378 2.982 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000735760886 598530971 /nfs/dbraw/zinc/53/09/71/598530971.db2.gz JQMYBDBXFKCKIE-GFCCVEGCSA-N -1 3 302.378 2.982 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc2c1CCC2 ZINC000738166644 598585401 /nfs/dbraw/zinc/58/54/01/598585401.db2.gz KVOBDDGBFMVFAA-UHFFFAOYSA-N -1 3 323.331 2.747 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc2c1CCC2 ZINC000738166644 598585403 /nfs/dbraw/zinc/58/54/03/598585403.db2.gz KVOBDDGBFMVFAA-UHFFFAOYSA-N -1 3 323.331 2.747 20 0 DFADHM COc1ccccc1-c1noc(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737139508 598607107 /nfs/dbraw/zinc/60/71/07/598607107.db2.gz YAFHFMALLJNEFA-UHFFFAOYSA-N -1 3 320.312 2.592 20 0 DFADHM COc1ccccc1-c1noc(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737139508 598607109 /nfs/dbraw/zinc/60/71/09/598607109.db2.gz YAFHFMALLJNEFA-UHFFFAOYSA-N -1 3 320.312 2.592 20 0 DFADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736437080 598609333 /nfs/dbraw/zinc/60/93/33/598609333.db2.gz SKZYNSXHZWIOTK-IUODEOHRSA-N -1 3 313.405 2.955 20 0 DFADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736437080 598609335 /nfs/dbraw/zinc/60/93/35/598609335.db2.gz SKZYNSXHZWIOTK-IUODEOHRSA-N -1 3 313.405 2.955 20 0 DFADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(C(C)(C)C)no1 ZINC000736169441 598609653 /nfs/dbraw/zinc/60/96/53/598609653.db2.gz NLLQZMNNENHYEH-SECBINFHSA-N -1 3 314.349 2.687 20 0 DFADHM O=C(NC1CC(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738019486 598612477 /nfs/dbraw/zinc/61/24/77/598612477.db2.gz KDRSPZUTQOEOPR-UHFFFAOYSA-N -1 3 319.368 2.543 20 0 DFADHM O=C(NC1CC(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738019486 598612479 /nfs/dbraw/zinc/61/24/79/598612479.db2.gz KDRSPZUTQOEOPR-UHFFFAOYSA-N -1 3 319.368 2.543 20 0 DFADHM COc1ccc(CN(C)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737090761 598629478 /nfs/dbraw/zinc/62/94/78/598629478.db2.gz MDLMYFWSNIUPNB-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM COc1ccc(CN(C)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737090761 598629480 /nfs/dbraw/zinc/62/94/80/598629480.db2.gz MDLMYFWSNIUPNB-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM Fc1ccc(N2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000737660845 598629677 /nfs/dbraw/zinc/62/96/77/598629677.db2.gz SLFGOFDGTTXDFX-MRVPVSSYSA-N -1 3 315.274 2.785 20 0 DFADHM Fc1ccc(N2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000737660845 598629678 /nfs/dbraw/zinc/62/96/78/598629678.db2.gz SLFGOFDGTTXDFX-MRVPVSSYSA-N -1 3 315.274 2.785 20 0 DFADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000737094879 598637610 /nfs/dbraw/zinc/63/76/10/598637610.db2.gz BVVWSOBNBMHUQX-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737094879 598637612 /nfs/dbraw/zinc/63/76/12/598637612.db2.gz BVVWSOBNBMHUQX-UHFFFAOYSA-N -1 3 316.752 2.536 20 0 DFADHM Fc1ccc(CSc2nccn2C2CC2)c(-c2nnn[n-]2)c1 ZINC000737649279 598644784 /nfs/dbraw/zinc/64/47/84/598644784.db2.gz MZJLXZAWONWPLW-UHFFFAOYSA-N -1 3 316.365 2.830 20 0 DFADHM Fc1ccc(CSc2nccn2C2CC2)c(-c2nn[n-]n2)c1 ZINC000737649279 598644786 /nfs/dbraw/zinc/64/47/86/598644786.db2.gz MZJLXZAWONWPLW-UHFFFAOYSA-N -1 3 316.365 2.830 20 0 DFADHM CCc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736687651 598660335 /nfs/dbraw/zinc/66/03/35/598660335.db2.gz OKEIHBPJSJFIGD-LLVKDONJSA-N -1 3 322.372 2.566 20 0 DFADHM CCc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736687651 598660337 /nfs/dbraw/zinc/66/03/37/598660337.db2.gz OKEIHBPJSJFIGD-LLVKDONJSA-N -1 3 322.372 2.566 20 0 DFADHM Cc1cc(NC(=O)c2sccc2-c2nnn[n-]2)ccc1F ZINC000737274979 598660452 /nfs/dbraw/zinc/66/04/52/598660452.db2.gz RNNVHJUELJUGKK-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)ccc1F ZINC000737274979 598660454 /nfs/dbraw/zinc/66/04/54/598660454.db2.gz RNNVHJUELJUGKK-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCC1 ZINC000738272379 598665746 /nfs/dbraw/zinc/66/57/46/598665746.db2.gz CAPWTCBJHQFQQF-UHFFFAOYSA-N -1 3 321.340 2.505 20 0 DFADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCC1 ZINC000738272379 598665748 /nfs/dbraw/zinc/66/57/48/598665748.db2.gz CAPWTCBJHQFQQF-UHFFFAOYSA-N -1 3 321.340 2.505 20 0 DFADHM CC(=O)c1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000735500180 598673670 /nfs/dbraw/zinc/67/36/70/598673670.db2.gz ZZTOGENPDLNJAE-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000735500180 598673672 /nfs/dbraw/zinc/67/36/72/598673672.db2.gz ZZTOGENPDLNJAE-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CCc1cccc2c1N(Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736695831 598709425 /nfs/dbraw/zinc/70/94/25/598709425.db2.gz PQXNNZAYXXKFBY-UHFFFAOYSA-N -1 3 305.385 2.992 20 0 DFADHM CCc1cccc2c1N(Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736695831 598709426 /nfs/dbraw/zinc/70/94/26/598709426.db2.gz PQXNNZAYXXKFBY-UHFFFAOYSA-N -1 3 305.385 2.992 20 0 DFADHM CSc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)o1 ZINC000737191347 598763571 /nfs/dbraw/zinc/76/35/71/598763571.db2.gz CRGRGKQQDMUZIF-UHFFFAOYSA-N -1 3 315.358 2.742 20 0 DFADHM CSc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000737191347 598763573 /nfs/dbraw/zinc/76/35/73/598763573.db2.gz CRGRGKQQDMUZIF-UHFFFAOYSA-N -1 3 315.358 2.742 20 0 DFADHM Cc1ccccc1CCC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737426988 598780814 /nfs/dbraw/zinc/78/08/14/598780814.db2.gz OWIZFDQBPPPXJQ-UHFFFAOYSA-N -1 3 322.368 2.851 20 0 DFADHM Cc1ccccc1CCC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737426988 598780815 /nfs/dbraw/zinc/78/08/15/598780815.db2.gz OWIZFDQBPPPXJQ-UHFFFAOYSA-N -1 3 322.368 2.851 20 0 DFADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCc2ccccc21 ZINC000738235981 598788543 /nfs/dbraw/zinc/78/85/43/598788543.db2.gz CZMZHCKRSZZYNX-INIZCTEOSA-N -1 3 320.352 2.640 20 0 DFADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2ccccc21 ZINC000738235981 598788545 /nfs/dbraw/zinc/78/85/45/598788545.db2.gz CZMZHCKRSZZYNX-INIZCTEOSA-N -1 3 320.352 2.640 20 0 DFADHM C(=C\c1ccccc1)\CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735400547 598793980 /nfs/dbraw/zinc/79/39/80/598793980.db2.gz RSFAFCIYODVDCJ-YVMONPNESA-N -1 3 318.384 2.876 20 0 DFADHM C(=C\c1ccccc1)\CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735400547 598793981 /nfs/dbraw/zinc/79/39/81/598793981.db2.gz RSFAFCIYODVDCJ-YVMONPNESA-N -1 3 318.384 2.876 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@H](C)C[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000737520830 598817908 /nfs/dbraw/zinc/81/79/08/598817908.db2.gz LQNKIBFKWFFCHH-YGOYTEALSA-N -1 3 301.398 2.510 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@H](C)C[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000737520830 598817909 /nfs/dbraw/zinc/81/79/09/598817909.db2.gz LQNKIBFKWFFCHH-YGOYTEALSA-N -1 3 301.398 2.510 20 0 DFADHM CC[C@@H](Cc1ccccc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC000736351113 599320491 /nfs/dbraw/zinc/32/04/91/599320491.db2.gz NVAWJYAHDOCDPQ-HNNXBMFYSA-N -1 3 308.389 2.719 20 0 DFADHM CC[C@@H](Cc1ccccc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC000736351113 599320493 /nfs/dbraw/zinc/32/04/93/599320493.db2.gz NVAWJYAHDOCDPQ-HNNXBMFYSA-N -1 3 308.389 2.719 20 0 DFADHM COCC[C@H](C)SCc1cc(-c2nnn[n-]2)ccc1OC ZINC000821685811 607368639 /nfs/dbraw/zinc/36/86/39/607368639.db2.gz QSESYMXRRAETEY-JTQLQIEISA-N -1 3 308.407 2.534 20 0 DFADHM COCC[C@H](C)SCc1cc(-c2nn[n-]n2)ccc1OC ZINC000821685811 607368641 /nfs/dbraw/zinc/36/86/41/607368641.db2.gz QSESYMXRRAETEY-JTQLQIEISA-N -1 3 308.407 2.534 20 0 DFADHM CC(=O)c1cccc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735498189 599325139 /nfs/dbraw/zinc/32/51/39/599325139.db2.gz GNWHXBDBCFUSOG-UHFFFAOYSA-N -1 3 323.356 2.560 20 0 DFADHM CC(=O)c1cccc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735498189 599325142 /nfs/dbraw/zinc/32/51/42/599325142.db2.gz GNWHXBDBCFUSOG-UHFFFAOYSA-N -1 3 323.356 2.560 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(C(C)=O)c1 ZINC000821736102 607369337 /nfs/dbraw/zinc/36/93/37/607369337.db2.gz BCZXNXNWAOLBTF-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(C(C)=O)c1 ZINC000821736102 607369338 /nfs/dbraw/zinc/36/93/38/607369338.db2.gz BCZXNXNWAOLBTF-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736237084 599341666 /nfs/dbraw/zinc/34/16/66/599341666.db2.gz MKOYBEZDJWXLGM-TYNCELHUSA-N -1 3 311.389 2.660 20 0 DFADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736237084 599341668 /nfs/dbraw/zinc/34/16/68/599341668.db2.gz MKOYBEZDJWXLGM-TYNCELHUSA-N -1 3 311.389 2.660 20 0 DFADHM CCC[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)OCC ZINC000821027605 599344811 /nfs/dbraw/zinc/34/48/11/599344811.db2.gz OILDUSSNFNAGIS-GFCCVEGCSA-N -1 3 306.391 2.691 20 0 DFADHM CCC[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)OCC ZINC000821027605 599344814 /nfs/dbraw/zinc/34/48/14/599344814.db2.gz OILDUSSNFNAGIS-GFCCVEGCSA-N -1 3 306.391 2.691 20 0 DFADHM C[C@H](Nc1ncnc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820461163 599355336 /nfs/dbraw/zinc/35/53/36/599355336.db2.gz FMIDYXVCKNJNPG-NSHDSACASA-N -1 3 317.356 2.983 20 0 DFADHM C[C@H](Nc1ncnc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820461163 599355339 /nfs/dbraw/zinc/35/53/39/599355339.db2.gz FMIDYXVCKNJNPG-NSHDSACASA-N -1 3 317.356 2.983 20 0 DFADHM Cn1ccc2ccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)cc21 ZINC000737611118 599366554 /nfs/dbraw/zinc/36/65/54/599366554.db2.gz DFGGASBVWAIDIC-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ccc2ccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)cc21 ZINC000737611118 599366557 /nfs/dbraw/zinc/36/65/57/599366557.db2.gz DFGGASBVWAIDIC-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM C[C@H](Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462332 599367029 /nfs/dbraw/zinc/36/70/29/599367029.db2.gz XTYRSENJHWZYMA-VIFPVBQESA-N -1 3 322.328 2.887 20 0 DFADHM C[C@H](Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462332 599367032 /nfs/dbraw/zinc/36/70/32/599367032.db2.gz XTYRSENJHWZYMA-VIFPVBQESA-N -1 3 322.328 2.887 20 0 DFADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nccs1 ZINC000820412991 599374824 /nfs/dbraw/zinc/37/48/24/599374824.db2.gz NUINCTXZZQYDMU-VHSXEESVSA-N -1 3 300.391 2.735 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000736244537 599375876 /nfs/dbraw/zinc/37/58/76/599375876.db2.gz JXBGQGGIIXZBPO-GYSYKLTISA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H]1CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000736244537 599375880 /nfs/dbraw/zinc/37/58/80/599375880.db2.gz JXBGQGGIIXZBPO-GYSYKLTISA-N -1 3 300.362 2.848 20 0 DFADHM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735986303 599379438 /nfs/dbraw/zinc/37/94/38/599379438.db2.gz QYPDDNYRUUXBTF-LLVKDONJSA-N -1 3 301.394 2.811 20 0 DFADHM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735986303 599379441 /nfs/dbraw/zinc/37/94/41/599379441.db2.gz QYPDDNYRUUXBTF-LLVKDONJSA-N -1 3 301.394 2.811 20 0 DFADHM FC(F)(F)c1cccc(CNCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822728705 599395026 /nfs/dbraw/zinc/39/50/26/599395026.db2.gz KDILXZGIAMLEGE-UHFFFAOYSA-N -1 3 323.278 2.768 20 0 DFADHM CC(C)Oc1ccccc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000820178398 599412118 /nfs/dbraw/zinc/41/21/18/599412118.db2.gz OIVHAXSTLGMPBY-UHFFFAOYSA-N -1 3 313.361 2.537 20 0 DFADHM CC(C)Oc1ccccc1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000820178398 599412119 /nfs/dbraw/zinc/41/21/19/599412119.db2.gz OIVHAXSTLGMPBY-UHFFFAOYSA-N -1 3 313.361 2.537 20 0 DFADHM Cc1ncsc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737503994 599429247 /nfs/dbraw/zinc/42/92/47/599429247.db2.gz RLCDUOKZJJAKDI-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ncsc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737503994 599429248 /nfs/dbraw/zinc/42/92/48/599429248.db2.gz RLCDUOKZJJAKDI-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM CCOC[C@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736611528 599438538 /nfs/dbraw/zinc/43/85/38/599438538.db2.gz RHZSXPJFLVGKJG-NSHDSACASA-N -1 3 321.812 2.773 20 0 DFADHM CCOC[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736611528 599438541 /nfs/dbraw/zinc/43/85/41/599438541.db2.gz RHZSXPJFLVGKJG-NSHDSACASA-N -1 3 321.812 2.773 20 0 DFADHM Cc1cccnc1[C@H](NCc1ccc(-c2nnn[n-]2)o1)C(C)C ZINC000822369862 599440901 /nfs/dbraw/zinc/44/09/01/599440901.db2.gz NQAWASUBHUZRIB-CQSZACIVSA-N -1 3 312.377 2.650 20 0 DFADHM Cc1cccnc1[C@H](NCc1ccc(-c2nn[n-]n2)o1)C(C)C ZINC000822369862 599440902 /nfs/dbraw/zinc/44/09/02/599440902.db2.gz NQAWASUBHUZRIB-CQSZACIVSA-N -1 3 312.377 2.650 20 0 DFADHM CSCCCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737180671 599443134 /nfs/dbraw/zinc/44/31/34/599443134.db2.gz BGINQDWQGUZEFE-UHFFFAOYSA-N -1 3 314.418 2.970 20 0 DFADHM CSCCCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737180671 599443137 /nfs/dbraw/zinc/44/31/37/599443137.db2.gz BGINQDWQGUZEFE-UHFFFAOYSA-N -1 3 314.418 2.970 20 0 DFADHM C[C@H](NC(=O)N1CCCC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820351090 599470884 /nfs/dbraw/zinc/47/08/84/599470884.db2.gz MODBVYDNEYHMTH-NEPJUHHUSA-N -1 3 314.393 2.512 20 0 DFADHM C[C@H](NC(=O)N1CCCC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820351090 599470886 /nfs/dbraw/zinc/47/08/86/599470886.db2.gz MODBVYDNEYHMTH-NEPJUHHUSA-N -1 3 314.393 2.512 20 0 DFADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)CC3CC3)c2c1 ZINC000822195453 599485755 /nfs/dbraw/zinc/48/57/55/599485755.db2.gz SBBUJULAALGNSH-UHFFFAOYSA-N -1 3 308.389 2.878 20 0 DFADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)CC3CC3)c2c1 ZINC000822195453 599485758 /nfs/dbraw/zinc/48/57/58/599485758.db2.gz SBBUJULAALGNSH-UHFFFAOYSA-N -1 3 308.389 2.878 20 0 DFADHM Cc1noc(C)c1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822522672 599496101 /nfs/dbraw/zinc/49/61/01/599496101.db2.gz JCZSZWAWGUFPMA-UHFFFAOYSA-N -1 3 304.741 2.737 20 0 DFADHM Cc1noc(C)c1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822522672 599496104 /nfs/dbraw/zinc/49/61/04/599496104.db2.gz JCZSZWAWGUFPMA-UHFFFAOYSA-N -1 3 304.741 2.737 20 0 DFADHM CCCN(C)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821088788 599502778 /nfs/dbraw/zinc/50/27/78/599502778.db2.gz WINFYDHKOWAUJQ-UHFFFAOYSA-N -1 3 304.304 2.539 20 0 DFADHM CCCN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821088788 599502781 /nfs/dbraw/zinc/50/27/81/599502781.db2.gz WINFYDHKOWAUJQ-UHFFFAOYSA-N -1 3 304.304 2.539 20 0 DFADHM Cc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826298469 607381751 /nfs/dbraw/zinc/38/17/51/607381751.db2.gz UGCGZSXDSPAWOB-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM Cc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826298469 607381752 /nfs/dbraw/zinc/38/17/52/607381752.db2.gz UGCGZSXDSPAWOB-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM Cc1ncsc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822481654 599526036 /nfs/dbraw/zinc/52/60/36/599526036.db2.gz AOOBNGKVXQPPGZ-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ncsc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822481654 599526039 /nfs/dbraw/zinc/52/60/39/599526039.db2.gz AOOBNGKVXQPPGZ-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ccc(CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234931 599532446 /nfs/dbraw/zinc/53/24/46/599532446.db2.gz MAVTUMGUPKWKHA-CYBMUJFWSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1ccc(CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234931 599532448 /nfs/dbraw/zinc/53/24/48/599532448.db2.gz MAVTUMGUPKWKHA-CYBMUJFWSA-N -1 3 321.384 2.595 20 0 DFADHM C[C@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1ccsc1 ZINC000735569502 599537986 /nfs/dbraw/zinc/53/79/86/599537986.db2.gz IFLGWUPOYZSOER-ZETCQYMHSA-N -1 3 305.388 2.732 20 0 DFADHM C[C@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1ccsc1 ZINC000735569502 599537989 /nfs/dbraw/zinc/53/79/89/599537989.db2.gz IFLGWUPOYZSOER-ZETCQYMHSA-N -1 3 305.388 2.732 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccsc1 ZINC000737289072 599544894 /nfs/dbraw/zinc/54/48/94/599544894.db2.gz OIVFGUYUAOAAHE-SNVBAGLBSA-N -1 3 313.386 2.979 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccsc1 ZINC000737289072 599544896 /nfs/dbraw/zinc/54/48/96/599544896.db2.gz OIVFGUYUAOAAHE-SNVBAGLBSA-N -1 3 313.386 2.979 20 0 DFADHM c1ccc(C[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000823779544 599580580 /nfs/dbraw/zinc/58/05/80/599580580.db2.gz FZTRFLBGKOWAQR-OAHLLOKOSA-N -1 3 305.385 2.936 20 0 DFADHM C[C@@H](O)CC(C)(C)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820473987 599583905 /nfs/dbraw/zinc/58/39/05/599583905.db2.gz OWOUTQDFHANJLV-SECBINFHSA-N -1 3 309.801 2.729 20 0 DFADHM C[C@@H](O)CC(C)(C)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820473987 599583907 /nfs/dbraw/zinc/58/39/07/599583907.db2.gz OWOUTQDFHANJLV-SECBINFHSA-N -1 3 309.801 2.729 20 0 DFADHM CCO[C@@H]1C[C@H](Nc2ccc(F)cc2-c2nnn[n-]2)C12CCC2 ZINC000821358210 599586533 /nfs/dbraw/zinc/58/65/33/599586533.db2.gz ICTJNQJCFFKXBA-UONOGXRCSA-N -1 3 317.368 2.765 20 0 DFADHM CCO[C@@H]1C[C@H](Nc2ccc(F)cc2-c2nn[n-]n2)C12CCC2 ZINC000821358210 599586535 /nfs/dbraw/zinc/58/65/35/599586535.db2.gz ICTJNQJCFFKXBA-UONOGXRCSA-N -1 3 317.368 2.765 20 0 DFADHM C[C@H](SCc1ccccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736192846 599598250 /nfs/dbraw/zinc/59/82/50/599598250.db2.gz MXMUTEURWWRSAN-JTQLQIEISA-N -1 3 320.418 2.830 20 0 DFADHM C[C@H](SCc1ccccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736192846 599598252 /nfs/dbraw/zinc/59/82/52/599598252.db2.gz MXMUTEURWWRSAN-JTQLQIEISA-N -1 3 320.418 2.830 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC000735571355 599607775 /nfs/dbraw/zinc/60/77/75/599607775.db2.gz BWNTYKGEILWQQN-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000735571355 599607776 /nfs/dbraw/zinc/60/77/76/599607776.db2.gz BWNTYKGEILWQQN-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM C[C@@H](OC(=O)CCC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820497626 599622106 /nfs/dbraw/zinc/62/21/06/599622106.db2.gz TVEUNIFZUYEYAH-MRVPVSSYSA-N -1 3 314.267 2.813 20 0 DFADHM C[C@@H](OC(=O)CCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820497626 599622107 /nfs/dbraw/zinc/62/21/07/599622107.db2.gz TVEUNIFZUYEYAH-MRVPVSSYSA-N -1 3 314.267 2.813 20 0 DFADHM C[C@@H]1CC(OC(=O)c2sccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000820649630 599625347 /nfs/dbraw/zinc/62/53/47/599625347.db2.gz NJQNVERSVFVFSE-IUCAKERBSA-N -1 3 306.391 2.910 20 0 DFADHM C[C@H]1C[C@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000820649040 599625446 /nfs/dbraw/zinc/62/54/46/599625446.db2.gz HYCJXNVEESXWCG-JYAVWHMHSA-N -1 3 314.389 2.777 20 0 DFADHM C[C@H]1C[C@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000820649040 599625447 /nfs/dbraw/zinc/62/54/47/599625447.db2.gz HYCJXNVEESXWCG-JYAVWHMHSA-N -1 3 314.389 2.777 20 0 DFADHM CCC(C)(C)CCOC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000820848004 599627885 /nfs/dbraw/zinc/62/78/85/599627885.db2.gz PYNCEDSEOKUGDT-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CCC(C)(C)CCOC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000820848004 599627886 /nfs/dbraw/zinc/62/78/86/599627886.db2.gz PYNCEDSEOKUGDT-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccoc1 ZINC000823303468 599634071 /nfs/dbraw/zinc/63/40/71/599634071.db2.gz JIEDPECDUHOWDP-UHFFFAOYSA-N -1 3 323.234 2.731 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccoc1 ZINC000823303468 599634072 /nfs/dbraw/zinc/63/40/72/599634072.db2.gz JIEDPECDUHOWDP-UHFFFAOYSA-N -1 3 323.234 2.731 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820690826 599663843 /nfs/dbraw/zinc/66/38/43/599663843.db2.gz SMYCYRYSNVYZKO-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820690826 599663844 /nfs/dbraw/zinc/66/38/44/599663844.db2.gz SMYCYRYSNVYZKO-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820690828 599663993 /nfs/dbraw/zinc/66/39/93/599663993.db2.gz SMYCYRYSNVYZKO-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820690828 599663994 /nfs/dbraw/zinc/66/39/94/599663994.db2.gz SMYCYRYSNVYZKO-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM CCC(C)(C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820847570 599673253 /nfs/dbraw/zinc/67/32/53/599673253.db2.gz HJMYMUVCTKHRLC-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CCC(C)(C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820847570 599673254 /nfs/dbraw/zinc/67/32/54/599673254.db2.gz HJMYMUVCTKHRLC-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM OCCC1(CNc2c(Cl)cccc2-c2nnn[n-]2)CCCC1 ZINC000823717481 599687676 /nfs/dbraw/zinc/68/76/76/599687676.db2.gz HROFVXRMPVNJII-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM OCCC1(CNc2c(Cl)cccc2-c2nn[n-]n2)CCCC1 ZINC000823717481 599687677 /nfs/dbraw/zinc/68/76/77/599687677.db2.gz HROFVXRMPVNJII-UHFFFAOYSA-N -1 3 321.812 2.875 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1C(C)(C)C1(C)C ZINC000821608584 599696539 /nfs/dbraw/zinc/69/65/39/599696539.db2.gz MZOMYDCAERTFAB-UHFFFAOYSA-N -1 3 313.405 2.507 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1C(C)(C)C1(C)C ZINC000821608584 599696540 /nfs/dbraw/zinc/69/65/40/599696540.db2.gz MZOMYDCAERTFAB-UHFFFAOYSA-N -1 3 313.405 2.507 20 0 DFADHM CC1(C)C(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1(C)C ZINC000820584292 599699799 /nfs/dbraw/zinc/69/97/99/599699799.db2.gz HSMAFWHRAQYPOT-UHFFFAOYSA-N -1 3 303.341 2.627 20 0 DFADHM CC1(C)C(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1(C)C ZINC000820584292 599699800 /nfs/dbraw/zinc/69/98/00/599699800.db2.gz HSMAFWHRAQYPOT-UHFFFAOYSA-N -1 3 303.341 2.627 20 0 DFADHM CC(=O)Nc1cccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000736168350 599709670 /nfs/dbraw/zinc/70/96/70/599709670.db2.gz SJKQKCBIINODGC-SFHVURJKSA-N -1 3 324.380 2.657 20 0 DFADHM CCN1CCC[C@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000737114389 599719190 /nfs/dbraw/zinc/71/91/90/599719190.db2.gz IWBPGIGZWCLTGV-NSHDSACASA-N -1 3 324.356 2.521 20 0 DFADHM COC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737692185 599842095 /nfs/dbraw/zinc/84/20/95/599842095.db2.gz WRTOONLSEMKTQG-OAHLLOKOSA-N -1 3 317.316 2.528 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C1(C)CCCC1 ZINC000826253382 607406305 /nfs/dbraw/zinc/40/63/05/607406305.db2.gz 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CN(C(=O)C=Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812068 607438163 /nfs/dbraw/zinc/43/81/63/607438163.db2.gz HGNAVDCXXYFOOD-FLIBITNWSA-N -1 3 323.331 2.682 20 0 DFADHM CN(C(=O)/C=C/C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812751 607438464 /nfs/dbraw/zinc/43/84/64/607438464.db2.gz SRQSEOQMNUCFOC-KPKJPENVSA-N -1 3 311.389 2.966 20 0 DFADHM CN(C(=O)/C=C/C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812751 607438465 /nfs/dbraw/zinc/43/84/65/607438465.db2.gz SRQSEOQMNUCFOC-KPKJPENVSA-N -1 3 311.389 2.966 20 0 DFADHM C[C@H](CN(C)[C@@H](C)C(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000263358402 600376091 /nfs/dbraw/zinc/37/60/91/600376091.db2.gz RLHGIXUOGARYEY-OLZOCXBDSA-N -1 3 314.385 2.819 20 0 DFADHM CCCCS[C@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825296437 607441286 /nfs/dbraw/zinc/44/12/86/607441286.db2.gz IWUPJKKCLOGDIL-LLVKDONJSA-N -1 3 319.434 2.751 20 0 DFADHM CCCCS[C@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825296437 607441287 /nfs/dbraw/zinc/44/12/87/607441287.db2.gz 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/nfs/dbraw/zinc/57/41/78/600574178.db2.gz CVPNGGXWXGDDBN-CYBMUJFWSA-N -1 3 304.390 2.978 20 0 DFADHM CC[C@H]1CCCCCN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736942488 600574301 /nfs/dbraw/zinc/57/43/01/600574301.db2.gz UQJOMKBOWRQCFR-HNNXBMFYSA-N -1 3 304.390 2.978 20 0 DFADHM CN(C)Cc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000737369905 600653071 /nfs/dbraw/zinc/65/30/71/600653071.db2.gz AMWHWTGQJJNHGN-UHFFFAOYSA-N -1 3 316.332 2.838 20 0 DFADHM CC[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nccs1 ZINC000820924878 607482029 /nfs/dbraw/zinc/48/20/29/607482029.db2.gz AVSZKYYVVDVXMV-GFCCVEGCSA-N -1 3 318.381 2.703 20 0 DFADHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nccs1 ZINC000820924878 607482030 /nfs/dbraw/zinc/48/20/30/607482030.db2.gz AVSZKYYVVDVXMV-GFCCVEGCSA-N -1 3 318.381 2.703 20 0 DFADHM Cc1cnn([C@@H]2CCCN([C@@H](C(=O)[O-])c3ccccc3F)C2)c1 ZINC000832987388 601002122 /nfs/dbraw/zinc/00/21/22/601002122.db2.gz QYFNZGFECZBEFY-CZUORRHYSA-N -1 3 317.364 2.793 20 0 DFADHM CC(C)C[C@H](CNC(=O)Nc1cccc(CN(C)C)c1)C(=O)[O-] ZINC000826775146 601004150 /nfs/dbraw/zinc/00/41/50/601004150.db2.gz HQWFGUOGGQCRCT-CQSZACIVSA-N -1 3 321.421 2.617 20 0 DFADHM CCN(CC)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821198910 607490459 /nfs/dbraw/zinc/49/04/59/607490459.db2.gz XXEPGJSRILDBOO-UHFFFAOYSA-N -1 3 323.404 2.720 20 0 DFADHM C/C(=C/CN[C@@](C)(CO)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000825746229 601168490 /nfs/dbraw/zinc/16/84/90/601168490.db2.gz GZRCJXFAAPHZDD-APFBBLRHSA-N -1 3 317.307 2.533 20 0 DFADHM CC[C@H](C)CN(CC)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000828747872 601181145 /nfs/dbraw/zinc/18/11/45/601181145.db2.gz ZZMMWKJXCONKJJ-LBPRGKRZSA-N -1 3 306.406 3.000 20 0 DFADHM CN(C)[C@@H](CNc1ccc(C(=O)[O-])nn1)c1ccc(Cl)cc1 ZINC000830585030 601200461 /nfs/dbraw/zinc/20/04/61/601200461.db2.gz LVBSEHCCEOCFDZ-ZDUSSCGKSA-N -1 3 320.780 2.543 20 0 DFADHM CSc1ccncc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821990340 607495005 /nfs/dbraw/zinc/49/50/05/607495005.db2.gz RNRRUYHGKZAFLP-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM CSc1ccncc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821990340 607495007 /nfs/dbraw/zinc/49/50/07/607495007.db2.gz RNRRUYHGKZAFLP-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(CN(C)C)c1 ZINC000828794054 601309426 /nfs/dbraw/zinc/30/94/26/601309426.db2.gz OUEHYFKCNCMXCH-UHFFFAOYSA-N -1 3 306.406 2.512 20 0 DFADHM CCN1CCCC[C@H]1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000829770073 601444602 /nfs/dbraw/zinc/44/46/02/601444602.db2.gz CMDLZHKMVSVAFI-QMMMGPOBSA-N -1 3 303.815 2.781 20 0 DFADHM CCC1CCC(NCc2csc(COC)n2)(C(=O)[O-])CC1 ZINC000829107825 601496266 /nfs/dbraw/zinc/49/62/66/601496266.db2.gz QKELHVOXHZMQFK-UHFFFAOYSA-N -1 3 312.435 2.803 20 0 DFADHM Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@@H](C(C)C)C2)c(C)c1C(=O)[O-] ZINC000832842975 601497480 /nfs/dbraw/zinc/49/74/80/601497480.db2.gz NEKXLAJPCPETRM-CHWSQXEVSA-N -1 3 306.406 2.879 20 0 DFADHM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H](C(C)C)C2)c(C)c1C(=O)[O-] ZINC000832842979 601497573 /nfs/dbraw/zinc/49/75/73/601497573.db2.gz NEKXLAJPCPETRM-STQMWFEESA-N -1 3 306.406 2.879 20 0 DFADHM Cc1ccccc1-c1cnc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000832975288 601511113 /nfs/dbraw/zinc/51/11/13/601511113.db2.gz SXMBETVCKCUSJT-TZMCWYRMSA-N -1 3 300.358 2.803 20 0 DFADHM Cc1oc(-c2cccs2)nc1CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000223835408 601512089 /nfs/dbraw/zinc/51/20/89/601512089.db2.gz REZAFDOUHBPGLW-ONGXEEELSA-N -1 3 306.387 2.864 20 0 DFADHM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000320471824 601541299 /nfs/dbraw/zinc/54/12/99/601541299.db2.gz CRDMHUMLNFYMCK-INIZCTEOSA-N -1 3 312.325 2.779 20 0 DFADHM O=C([O-])CC1(NCc2nc(-c3ccoc3)no2)CCCCC1 ZINC000833205926 601554216 /nfs/dbraw/zinc/55/42/16/601554216.db2.gz QRURZPQAZBFGKI-UHFFFAOYSA-N -1 3 305.334 2.597 20 0 DFADHM CCN(CC(=O)Nc1ccccc1C(=O)[O-])C1CCCCC1 ZINC000829624147 601584903 /nfs/dbraw/zinc/58/49/03/601584903.db2.gz ODLPAPUYQFGOTL-UHFFFAOYSA-N -1 3 304.390 2.978 20 0 DFADHM 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311.403 2.528 20 0 DFADHM COC(=O)c1ccc([C@H](C)N2CCC(CCC(=O)[O-])CC2)o1 ZINC000831375474 601845277 /nfs/dbraw/zinc/84/52/77/601845277.db2.gz ZCGABXNFNGGNFR-NSHDSACASA-N -1 3 309.362 2.704 20 0 DFADHM COC(=O)c1sccc1CNC1(CC(=O)[O-])CCCCC1 ZINC000831478638 601882244 /nfs/dbraw/zinc/88/22/44/601882244.db2.gz BRKADPUXUBPBQA-UHFFFAOYSA-N -1 3 311.403 2.802 20 0 DFADHM C[C@@]1(C(=O)[O-])CCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000828028912 601915973 /nfs/dbraw/zinc/91/59/73/601915973.db2.gz ICQFTMFBGIZIOX-MRXNPFEDSA-N -1 3 304.321 2.777 20 0 DFADHM COc1ccc(CSC[C@@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC000826207107 607533732 /nfs/dbraw/zinc/53/37/32/607533732.db2.gz AEJADAGYPZSZLM-LBPRGKRZSA-N -1 3 320.418 2.678 20 0 DFADHM COc1ccc(CSC[C@@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC000826207107 607533734 /nfs/dbraw/zinc/53/37/34/607533734.db2.gz AEJADAGYPZSZLM-LBPRGKRZSA-N -1 3 320.418 2.678 20 0 DFADHM CSc1cccc(NC(=O)[C@@H](C)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000832786255 601936406 /nfs/dbraw/zinc/93/64/06/601936406.db2.gz 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CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1cccc(C)c1C)C(=O)[O-] ZINC000833638027 605140311 /nfs/dbraw/zinc/14/03/11/605140311.db2.gz GZZLVEBIUJDWFG-YLVFBTJISA-N -1 3 320.433 2.570 20 0 DFADHM C[C@@H](c1ccccn1)N(C)CCOc1ccccc1C(=O)[O-] ZINC000833548176 605217134 /nfs/dbraw/zinc/21/71/34/605217134.db2.gz BFMFSCKVCJKXMM-ZDUSSCGKSA-N -1 3 300.358 2.852 20 0 DFADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCCCc2ccccc21 ZINC000826471975 607743968 /nfs/dbraw/zinc/74/39/68/607743968.db2.gz SWFSFEHWOOCNHL-UHFFFAOYSA-N -1 3 322.372 2.568 20 0 DFADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCCCc2ccccc21 ZINC000826471975 607743969 /nfs/dbraw/zinc/74/39/69/607743969.db2.gz SWFSFEHWOOCNHL-UHFFFAOYSA-N -1 3 322.372 2.568 20 0 DFADHM CCc1ccc([C@H](C)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000833668722 605290193 /nfs/dbraw/zinc/29/01/93/605290193.db2.gz BKOPQMGZPRVOTC-BBRMVZONSA-N -1 3 320.433 2.515 20 0 DFADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000833812579 605345177 /nfs/dbraw/zinc/34/51/77/605345177.db2.gz KGSDLQKUHFCZEE-GXTWGEPZSA-N -1 3 322.380 2.767 20 0 DFADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000833812580 605345493 /nfs/dbraw/zinc/34/54/93/605345493.db2.gz KGSDLQKUHFCZEE-JSGCOSHPSA-N -1 3 322.380 2.767 20 0 DFADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCCC[C@H]2c2cccn2C)O1 ZINC000833583520 605347521 /nfs/dbraw/zinc/34/75/21/605347521.db2.gz IMSRETPTHNTODF-BBRMVZONSA-N -1 3 304.390 2.700 20 0 DFADHM Cc1nc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C)s1 ZINC000826323727 607755376 /nfs/dbraw/zinc/75/53/76/607755376.db2.gz PGCSDCIAXAKGLX-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM Cc1nc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C)s1 ZINC000826323727 607755377 /nfs/dbraw/zinc/75/53/77/607755377.db2.gz PGCSDCIAXAKGLX-UHFFFAOYSA-N -1 3 314.374 2.501 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3ccncc3Cl)C[C@H]21 ZINC000834177814 605451372 /nfs/dbraw/zinc/45/13/72/605451372.db2.gz CRIGVSLBMPIYJM-ZKYQVNSYSA-N -1 3 309.797 2.603 20 0 DFADHM O=C([O-])NC[C@@H]1CCCN(Cc2ccccc2OCC2CC2)C1 ZINC000834215819 605554155 /nfs/dbraw/zinc/55/41/55/605554155.db2.gz OOYJNBDHDLLPEY-HNNXBMFYSA-N -1 3 318.417 2.955 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)CC(C)C ZINC000826277763 607762874 /nfs/dbraw/zinc/76/28/74/607762874.db2.gz GDJIFPRWYXCNLY-NSHDSACASA-N -1 3 302.382 2.731 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)CC(C)C ZINC000826277763 607762875 /nfs/dbraw/zinc/76/28/75/607762875.db2.gz GDJIFPRWYXCNLY-NSHDSACASA-N -1 3 302.382 2.731 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC1(C2CC2)CCC1 ZINC000826401655 607763130 /nfs/dbraw/zinc/76/31/30/607763130.db2.gz DEPVVQMOXZSCEX-TWGQIWQCSA-N -1 3 323.400 2.576 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC1(C2CC2)CCC1 ZINC000826401655 607763131 /nfs/dbraw/zinc/76/31/31/607763131.db2.gz DEPVVQMOXZSCEX-TWGQIWQCSA-N -1 3 323.400 2.576 20 0 DFADHM O=C([O-])NC[C@@H]1CCC[C@H]1NCc1coc(-c2cccs2)n1 ZINC000834215088 605591541 /nfs/dbraw/zinc/59/15/41/605591541.db2.gz OVVGSWDJMIQXSI-CMPLNLGQSA-N -1 3 321.402 2.929 20 0 DFADHM COc1cc(CN(C)[C@@H](C)CNC(=O)[O-])ccc1OC(C)C ZINC000833886773 605593012 /nfs/dbraw/zinc/59/30/12/605593012.db2.gz DXXKGZBPZQVMFQ-LBPRGKRZSA-N -1 3 310.394 2.570 20 0 DFADHM Cc1cccn2c(CN3CCC[C@H]([C@H](C)NC(=O)[O-])C3)cnc12 ZINC000833909884 605602397 /nfs/dbraw/zinc/60/23/97/605602397.db2.gz SJUQCHXVEORGAP-KBPBESRZSA-N -1 3 316.405 2.511 20 0 DFADHM O=C([O-])NC[C@@H]1CCC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000834215949 605647163 /nfs/dbraw/zinc/64/71/63/605647163.db2.gz RLCXTMILFZTAKH-WFASDCNBSA-N -1 3 306.410 2.524 20 0 DFADHM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CCc1c(F)cccc1Cl ZINC000833835419 605906062 /nfs/dbraw/zinc/90/60/62/605906062.db2.gz ZAGLGZDEHSYTFD-QWRGUYRKSA-N -1 3 314.788 3.000 20 0 DFADHM CC(C)C[C@H](CNC(=O)[O-])N[C@H](C)c1nc2ccccc2n1C ZINC000833796629 605943482 /nfs/dbraw/zinc/94/34/82/605943482.db2.gz YYWSENQDDRBKOW-CHWSQXEVSA-N -1 3 318.421 2.906 20 0 DFADHM C[C@H](CCN[C@@H](C)c1nc2ccc(Cl)cc2n1C)NC(=O)[O-] ZINC000833804917 605946587 /nfs/dbraw/zinc/94/65/87/605946587.db2.gz KCWGFVOZDRTBQS-ZJUUUORDSA-N -1 3 324.812 2.924 20 0 DFADHM Cn1ccnc1[C@@H](NCC1(NC(=O)[O-])CCCCCC1)C1CC1 ZINC000833954559 605983023 /nfs/dbraw/zinc/98/30/23/605983023.db2.gz JZASVMFYVZATJF-AWEZNQCLSA-N -1 3 320.437 2.821 20 0 DFADHM CCN(CCNc1ccc(-c2nnn[n-]2)nc1)c1cccc(C)c1 ZINC000821214169 606025292 /nfs/dbraw/zinc/02/52/92/606025292.db2.gz IVLWYBLBWJHMPQ-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM CCN(CCNc1ccc(-c2nn[n-]n2)nc1)c1cccc(C)c1 ZINC000821214169 606025298 /nfs/dbraw/zinc/02/52/98/606025298.db2.gz IVLWYBLBWJHMPQ-UHFFFAOYSA-N -1 3 323.404 2.509 20 0 DFADHM COc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000821778256 606029643 /nfs/dbraw/zinc/02/96/43/606029643.db2.gz XJNPFFMBKCYOJD-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM COc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000821778256 606029645 /nfs/dbraw/zinc/02/96/45/606029645.db2.gz XJNPFFMBKCYOJD-VIFPVBQESA-N -1 3 314.324 2.583 20 0 DFADHM CC(C)Oc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820154851 606036387 /nfs/dbraw/zinc/03/63/87/606036387.db2.gz ABLTUJPXTQBJLU-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)Oc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820154851 606036392 /nfs/dbraw/zinc/03/63/92/606036392.db2.gz ABLTUJPXTQBJLU-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccnc(C(C)(C)C)n1 ZINC000821609635 606059858 /nfs/dbraw/zinc/05/98/58/606059858.db2.gz FOSRGVWSMFVSKF-UHFFFAOYSA-N -1 3 323.404 2.591 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccnc(C(C)(C)C)n1 ZINC000821609635 606059862 /nfs/dbraw/zinc/05/98/62/606059862.db2.gz FOSRGVWSMFVSKF-UHFFFAOYSA-N -1 3 323.404 2.591 20 0 DFADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820664778 606089803 /nfs/dbraw/zinc/08/98/03/606089803.db2.gz BXJGDEDNGIDAOD-AAEUAGOBSA-N -1 3 324.363 2.783 20 0 DFADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820664778 606089807 /nfs/dbraw/zinc/08/98/07/606089807.db2.gz BXJGDEDNGIDAOD-AAEUAGOBSA-N -1 3 324.363 2.783 20 0 DFADHM Cc1cccc2c(CCNc3ccc(-c4nnn[n-]4)nc3)c[nH]c21 ZINC000822332027 606092388 /nfs/dbraw/zinc/09/23/88/606092388.db2.gz KUUHYKLPQPTBPR-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1cccc2c(CCNc3ccc(-c4nn[n-]n4)nc3)c[nH]c21 ZINC000822332027 606092393 /nfs/dbraw/zinc/09/23/93/606092393.db2.gz KUUHYKLPQPTBPR-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM C[C@H](Nc1nc(C2CC2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461576 606096480 /nfs/dbraw/zinc/09/64/80/606096480.db2.gz NCMYJUWEISAQSV-QMMMGPOBSA-N -1 3 313.390 2.769 20 0 DFADHM C[C@H](Nc1nc(C2CC2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461576 606096485 /nfs/dbraw/zinc/09/64/85/606096485.db2.gz NCMYJUWEISAQSV-QMMMGPOBSA-N -1 3 313.390 2.769 20 0 DFADHM c1nc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cs1 ZINC000823791847 606125434 /nfs/dbraw/zinc/12/54/34/606125434.db2.gz KIZFOKYLSXSNRC-UHFFFAOYSA-N -1 3 323.385 2.526 20 0 DFADHM c1nc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cs1 ZINC000823791847 606125435 /nfs/dbraw/zinc/12/54/35/606125435.db2.gz KIZFOKYLSXSNRC-UHFFFAOYSA-N -1 3 323.385 2.526 20 0 DFADHM Cc1cccc(C)c1COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822293519 606141451 /nfs/dbraw/zinc/14/14/51/606141451.db2.gz APPGAMZUSUKYBF-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM Cc1cccc(C)c1COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822293519 606141453 /nfs/dbraw/zinc/14/14/53/606141453.db2.gz APPGAMZUSUKYBF-UHFFFAOYSA-N -1 3 322.368 2.769 20 0 DFADHM C[C@H](NC(=O)[C@@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820322749 606147860 /nfs/dbraw/zinc/14/78/60/606147860.db2.gz VEOAZIZOJGMDOT-FZMZJTMJSA-N -1 3 311.389 2.624 20 0 DFADHM C[C@H](NC(=O)[C@@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820322749 606147862 /nfs/dbraw/zinc/14/78/62/606147862.db2.gz VEOAZIZOJGMDOT-FZMZJTMJSA-N -1 3 311.389 2.624 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ncc(Cl)cc1F ZINC000822761288 606183857 /nfs/dbraw/zinc/18/38/57/606183857.db2.gz GVWVSFXADPRQKP-UHFFFAOYSA-N -1 3 322.706 2.805 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ncc(Cl)cc1F ZINC000822761288 606183859 /nfs/dbraw/zinc/18/38/59/606183859.db2.gz GVWVSFXADPRQKP-UHFFFAOYSA-N -1 3 322.706 2.805 20 0 DFADHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000820641555 606232273 /nfs/dbraw/zinc/23/22/73/606232273.db2.gz DEXLSRXVHAVTON-DOMZBBRYSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000820641555 606232275 /nfs/dbraw/zinc/23/22/75/606232275.db2.gz DEXLSRXVHAVTON-DOMZBBRYSA-N -1 3 306.373 2.644 20 0 DFADHM CCSc1cccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000821460908 606275534 /nfs/dbraw/zinc/27/55/34/606275534.db2.gz GKSFPKVCMLKIPO-UHFFFAOYSA-N -1 3 314.374 2.559 20 0 DFADHM CCSc1cccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000821460908 606275535 /nfs/dbraw/zinc/27/55/35/606275535.db2.gz GKSFPKVCMLKIPO-UHFFFAOYSA-N -1 3 314.374 2.559 20 0 DFADHM Cc1cccc(C(C)C)c1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822288751 606325364 /nfs/dbraw/zinc/32/53/64/606325364.db2.gz IJJDTQNMFUYTLN-UHFFFAOYSA-N -1 3 310.361 2.879 20 0 DFADHM Cc1cccc(C(C)C)c1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822288751 606325365 /nfs/dbraw/zinc/32/53/65/606325365.db2.gz IJJDTQNMFUYTLN-UHFFFAOYSA-N -1 3 310.361 2.879 20 0 DFADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1 ZINC000823070714 606325945 /nfs/dbraw/zinc/32/59/45/606325945.db2.gz KTUXUMRFJWUBPA-UHFFFAOYSA-N -1 3 311.370 2.598 20 0 DFADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1 ZINC000823070714 606325947 /nfs/dbraw/zinc/32/59/47/606325947.db2.gz KTUXUMRFJWUBPA-UHFFFAOYSA-N -1 3 311.370 2.598 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820870181 606333950 /nfs/dbraw/zinc/33/39/50/606333950.db2.gz OLRVAXXPQFDDQS-NSHDSACASA-N -1 3 302.382 2.767 20 0 DFADHM CC[C@H](C)CN(CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820870181 606333952 /nfs/dbraw/zinc/33/39/52/606333952.db2.gz OLRVAXXPQFDDQS-NSHDSACASA-N -1 3 302.382 2.767 20 0 DFADHM C[C@@H](OC(=O)[C@@H](C)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820479679 606345251 /nfs/dbraw/zinc/34/52/51/606345251.db2.gz AUMHGQMGMZCRRT-HTQZYQBOSA-N -1 3 314.267 2.669 20 0 DFADHM C[C@@H](OC(=O)[C@@H](C)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820479679 606345252 /nfs/dbraw/zinc/34/52/52/606345252.db2.gz AUMHGQMGMZCRRT-HTQZYQBOSA-N -1 3 314.267 2.669 20 0 DFADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000822183577 606347104 /nfs/dbraw/zinc/34/71/04/606347104.db2.gz IIRISVWJUSZXBZ-JTQLQIEISA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000822183577 606347106 /nfs/dbraw/zinc/34/71/06/606347106.db2.gz IIRISVWJUSZXBZ-JTQLQIEISA-N -1 3 312.329 2.995 20 0 DFADHM CN(CC(C)(C)C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821593923 606354260 /nfs/dbraw/zinc/35/42/60/606354260.db2.gz QGKYFVMIXOSLTG-UHFFFAOYSA-N -1 3 306.345 2.516 20 0 DFADHM CN(CC(C)(C)C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821593923 606354262 /nfs/dbraw/zinc/35/42/62/606354262.db2.gz QGKYFVMIXOSLTG-UHFFFAOYSA-N -1 3 306.345 2.516 20 0 DFADHM CCCC[C@H](CCC)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821042386 606365732 /nfs/dbraw/zinc/36/57/32/606365732.db2.gz ACFTXGNSXPRSCK-AWEZNQCLSA-N -1 3 301.394 2.955 20 0 DFADHM CCCC[C@H](CCC)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821042386 606365734 /nfs/dbraw/zinc/36/57/34/606365734.db2.gz ACFTXGNSXPRSCK-AWEZNQCLSA-N -1 3 301.394 2.955 20 0 DFADHM CN(C(=O)C[C@H]1C=CCC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569791 606413728 /nfs/dbraw/zinc/41/37/28/606413728.db2.gz VYROBVYYOLLIRU-JTQLQIEISA-N -1 3 317.780 2.839 20 0 DFADHM CN(C(=O)C[C@H]1C=CCC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569791 606413732 /nfs/dbraw/zinc/41/37/32/606413732.db2.gz VYROBVYYOLLIRU-JTQLQIEISA-N -1 3 317.780 2.839 20 0 DFADHM CC1(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000820623180 606423259 /nfs/dbraw/zinc/42/32/59/606423259.db2.gz HLCYHDXHMBMLJD-UHFFFAOYSA-N -1 3 314.780 2.702 20 0 DFADHM CC1(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000820623180 606423261 /nfs/dbraw/zinc/42/32/61/606423261.db2.gz HLCYHDXHMBMLJD-UHFFFAOYSA-N -1 3 314.780 2.702 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](C)[C@@H]1C ZINC000822331299 606424764 /nfs/dbraw/zinc/42/47/64/606424764.db2.gz CEIHKDIPIICPGY-JQWIXIFHSA-N -1 3 308.389 2.958 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](C)[C@@H]1C ZINC000822331299 606424766 /nfs/dbraw/zinc/42/47/66/606424766.db2.gz CEIHKDIPIICPGY-JQWIXIFHSA-N -1 3 308.389 2.958 20 0 DFADHM CC[C@H](CNc1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1C ZINC000820909581 606427253 /nfs/dbraw/zinc/42/72/53/606427253.db2.gz XRBRCOHTZVKYDI-CQSZACIVSA-N -1 3 324.388 2.840 20 0 DFADHM CC[C@H](CNc1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1C ZINC000820909581 606427255 /nfs/dbraw/zinc/42/72/55/606427255.db2.gz XRBRCOHTZVKYDI-CQSZACIVSA-N -1 3 324.388 2.840 20 0 DFADHM Fc1ccc(N2CCC[C@@H]2c2cccnc2)c(-c2nnn[n-]2)c1 ZINC000822778099 606446034 /nfs/dbraw/zinc/44/60/34/606446034.db2.gz CZNRQANWKZURJS-CQSZACIVSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1ccc(N2CCC[C@@H]2c2cccnc2)c(-c2nn[n-]n2)c1 ZINC000822778099 606446036 /nfs/dbraw/zinc/44/60/36/606446036.db2.gz CZNRQANWKZURJS-CQSZACIVSA-N -1 3 310.336 2.742 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(NCCc2cccnc2)c1 ZINC000822568827 606448957 /nfs/dbraw/zinc/44/89/57/606448957.db2.gz YDOHFJQFURORGO-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(NCCc2cccnc2)c1 ZINC000822568827 606448959 /nfs/dbraw/zinc/44/89/59/606448959.db2.gz YDOHFJQFURORGO-UHFFFAOYSA-N -1 3 300.753 2.570 20 0 DFADHM O=C(OCc1ccccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823430930 606463856 /nfs/dbraw/zinc/46/38/56/606463856.db2.gz MFGAGIJOTRUEHF-UHFFFAOYSA-N -1 3 320.761 2.939 20 0 DFADHM O=C(OCc1ccccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823430930 606463858 /nfs/dbraw/zinc/46/38/58/606463858.db2.gz MFGAGIJOTRUEHF-UHFFFAOYSA-N -1 3 320.761 2.939 20 0 DFADHM CC(C)[C@@H]1OCC[C@@H]1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820045976 606473934 /nfs/dbraw/zinc/47/39/34/606473934.db2.gz PHGBFDCEUOMSGX-YGRLFVJLSA-N -1 3 321.812 2.993 20 0 DFADHM CC(C)[C@@H]1OCC[C@@H]1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820045976 606473935 /nfs/dbraw/zinc/47/39/35/606473935.db2.gz PHGBFDCEUOMSGX-YGRLFVJLSA-N -1 3 321.812 2.993 20 0 DFADHM O=C(Nc1cccc2ncccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823367559 606481561 /nfs/dbraw/zinc/48/15/61/606481561.db2.gz KMEAEXJIIBUVKD-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1cccc2ncccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823367559 606481562 /nfs/dbraw/zinc/48/15/62/606481562.db2.gz KMEAEXJIIBUVKD-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM CC(C)N(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CCCC1 ZINC000820111593 606488397 /nfs/dbraw/zinc/48/83/97/606488397.db2.gz BIGWULSFTLCTDB-UHFFFAOYSA-N -1 3 305.407 2.721 20 0 DFADHM CC(C)N(C(=O)c1cc(-c2nn[n-]n2)cs1)C1CCCC1 ZINC000820111593 606488398 /nfs/dbraw/zinc/48/83/98/606488398.db2.gz BIGWULSFTLCTDB-UHFFFAOYSA-N -1 3 305.407 2.721 20 0 DFADHM C[C@@H](c1ccccc1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563091 606494945 /nfs/dbraw/zinc/49/49/45/606494945.db2.gz NOXVUJNNBYMNKV-ZDUSSCGKSA-N -1 3 321.384 2.629 20 0 DFADHM C[C@@H](c1ccccc1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563091 606494947 /nfs/dbraw/zinc/49/49/47/606494947.db2.gz NOXVUJNNBYMNKV-ZDUSSCGKSA-N -1 3 321.384 2.629 20 0 DFADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H]1C1CCCC1 ZINC000823472596 606498376 /nfs/dbraw/zinc/49/83/76/606498376.db2.gz RUVJZMFBCXVTNV-GFCCVEGCSA-N -1 3 317.418 2.723 20 0 DFADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H]1C1CCCC1 ZINC000823472596 606498378 /nfs/dbraw/zinc/49/83/78/606498378.db2.gz RUVJZMFBCXVTNV-GFCCVEGCSA-N -1 3 317.418 2.723 20 0 DFADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820038073 606507139 /nfs/dbraw/zinc/50/71/39/606507139.db2.gz JZSGBMSLPRZISE-VXGBXAGGSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820038073 606507140 /nfs/dbraw/zinc/50/71/40/606507140.db2.gz JZSGBMSLPRZISE-VXGBXAGGSA-N -1 3 319.434 2.873 20 0 DFADHM Cc1cscc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822414750 606549605 /nfs/dbraw/zinc/54/96/05/606549605.db2.gz SMTKFOCDWBLSTF-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cscc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822414750 606549607 /nfs/dbraw/zinc/54/96/07/606549607.db2.gz SMTKFOCDWBLSTF-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM CCC(C)(CC)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820854315 606573050 /nfs/dbraw/zinc/57/30/50/606573050.db2.gz UDPOHFYCBKUBEM-NSHDSACASA-N -1 3 316.409 2.806 20 0 DFADHM CCC(C)(CC)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820854315 606573052 /nfs/dbraw/zinc/57/30/52/606573052.db2.gz UDPOHFYCBKUBEM-NSHDSACASA-N -1 3 316.409 2.806 20 0 DFADHM CCCC[C@@H](CCC)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821042642 606581919 /nfs/dbraw/zinc/58/19/19/606581919.db2.gz GNQLKCABOCBJTE-OAHLLOKOSA-N -1 3 315.421 2.884 20 0 DFADHM CCCC[C@@H](CCC)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821042642 606581920 /nfs/dbraw/zinc/58/19/20/606581920.db2.gz GNQLKCABOCBJTE-OAHLLOKOSA-N -1 3 315.421 2.884 20 0 DFADHM O=C(Nc1cc(Cl)ccc1O)c1ccc(-c2nnn[n-]2)s1 ZINC000823299462 606592135 /nfs/dbraw/zinc/59/21/35/606592135.db2.gz YJSJHCNYZLLHJD-UHFFFAOYSA-N -1 3 321.749 2.540 20 0 DFADHM CO[C@H]1C[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1(C)C ZINC000821679151 606609788 /nfs/dbraw/zinc/60/97/88/606609788.db2.gz XVZXEPOYFCJMAV-NEPJUHHUSA-N -1 3 307.785 2.746 20 0 DFADHM CO[C@H]1C[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1(C)C ZINC000821679151 606609790 /nfs/dbraw/zinc/60/97/90/606609790.db2.gz XVZXEPOYFCJMAV-NEPJUHHUSA-N -1 3 307.785 2.746 20 0 DFADHM c1csc(-c2noc(Cc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000823752373 606621008 /nfs/dbraw/zinc/62/10/08/606621008.db2.gz ZEMRVAHBASUGEG-UHFFFAOYSA-N -1 3 310.342 2.569 20 0 DFADHM c1csc(-c2noc(Cc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000823752373 606621009 /nfs/dbraw/zinc/62/10/09/606621009.db2.gz ZEMRVAHBASUGEG-UHFFFAOYSA-N -1 3 310.342 2.569 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820677219 606621886 /nfs/dbraw/zinc/62/18/86/606621886.db2.gz PWYHBOFXMBLKHM-NGPGYTDTSA-N -1 3 315.352 2.715 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820677219 606621887 /nfs/dbraw/zinc/62/18/87/606621887.db2.gz PWYHBOFXMBLKHM-NGPGYTDTSA-N -1 3 315.352 2.715 20 0 DFADHM CCc1noc(CSc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000821558808 606629290 /nfs/dbraw/zinc/62/92/90/606629290.db2.gz FWVWOCOJMYPMOC-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM CCc1noc(CSc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000821558808 606629293 /nfs/dbraw/zinc/62/92/93/606629293.db2.gz FWVWOCOJMYPMOC-UHFFFAOYSA-N -1 3 322.781 2.758 20 0 DFADHM CC(C)[C@H](C)N(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820016176 606655447 /nfs/dbraw/zinc/65/54/47/606655447.db2.gz KEUIYMQIKYDIEI-NSHDSACASA-N -1 3 314.393 2.908 20 0 DFADHM CC(C)[C@H](C)N(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820016176 606655448 /nfs/dbraw/zinc/65/54/48/606655448.db2.gz KEUIYMQIKYDIEI-NSHDSACASA-N -1 3 314.393 2.908 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000755087562 606661770 /nfs/dbraw/zinc/66/17/70/606661770.db2.gz WRSQUWDJMIBNJT-ZBFHGGJFSA-N -1 3 319.368 2.684 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000755087562 606661771 /nfs/dbraw/zinc/66/17/71/606661771.db2.gz WRSQUWDJMIBNJT-ZBFHGGJFSA-N -1 3 319.368 2.684 20 0 DFADHM COCC[C@H](C)Sc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000821685585 606703911 /nfs/dbraw/zinc/70/39/11/606703911.db2.gz JMICROUNSJKWCD-JTQLQIEISA-N -1 3 319.434 2.658 20 0 DFADHM COCC[C@H](C)Sc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000821685585 606703913 /nfs/dbraw/zinc/70/39/13/606703913.db2.gz JMICROUNSJKWCD-JTQLQIEISA-N -1 3 319.434 2.658 20 0 DFADHM COc1ccc(F)c(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821828127 606708049 /nfs/dbraw/zinc/70/80/49/606708049.db2.gz QSDFAPSXZXBKQA-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(F)c(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821828127 606708050 /nfs/dbraw/zinc/70/80/50/606708050.db2.gz QSDFAPSXZXBKQA-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1nc(C)c(C)s1 ZINC000821765906 606708120 /nfs/dbraw/zinc/70/81/20/606708120.db2.gz MWUMLFRUNWMJDA-UHFFFAOYSA-N -1 3 316.390 2.561 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1nc(C)c(C)s1 ZINC000821765906 606708122 /nfs/dbraw/zinc/70/81/22/606708122.db2.gz MWUMLFRUNWMJDA-UHFFFAOYSA-N -1 3 316.390 2.561 20 0 DFADHM CC(C)[C@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000820044593 606725998 /nfs/dbraw/zinc/72/59/98/606725998.db2.gz HOTGTQLSDBICSC-ZDUSSCGKSA-N -1 3 308.389 2.897 20 0 DFADHM CC(C)[C@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000820044593 606725999 /nfs/dbraw/zinc/72/59/99/606725999.db2.gz HOTGTQLSDBICSC-ZDUSSCGKSA-N -1 3 308.389 2.897 20 0 DFADHM CC(C)[C@@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000820044590 606726015 /nfs/dbraw/zinc/72/60/15/606726015.db2.gz HOTGTQLSDBICSC-CYBMUJFWSA-N -1 3 308.389 2.897 20 0 DFADHM CC(C)[C@@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000820044590 606726018 /nfs/dbraw/zinc/72/60/18/606726018.db2.gz HOTGTQLSDBICSC-CYBMUJFWSA-N -1 3 308.389 2.897 20 0 DFADHM CC[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820981270 606766836 /nfs/dbraw/zinc/76/68/36/606766836.db2.gz QJMVADJFBGNATP-GWCFXTLKSA-N -1 3 300.366 2.567 20 0 DFADHM CC[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820981270 606766838 /nfs/dbraw/zinc/76/68/38/606766838.db2.gz QJMVADJFBGNATP-GWCFXTLKSA-N -1 3 300.366 2.567 20 0 DFADHM Cc1noc(C)c1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822522203 606783468 /nfs/dbraw/zinc/78/34/68/606783468.db2.gz FFIQIPOUNCLRLX-UHFFFAOYSA-N -1 3 305.725 2.704 20 0 DFADHM Cc1noc(C)c1COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822522203 606783470 /nfs/dbraw/zinc/78/34/70/606783470.db2.gz FFIQIPOUNCLRLX-UHFFFAOYSA-N -1 3 305.725 2.704 20 0 DFADHM CC(C)OC(=O)O[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000820142322 606793272 /nfs/dbraw/zinc/79/32/72/606793272.db2.gz KIBDOAVYYRYPBP-SECBINFHSA-N -1 3 308.363 2.866 20 0 DFADHM CC(C)OC(=O)O[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000820142322 606793273 /nfs/dbraw/zinc/79/32/73/606793273.db2.gz KIBDOAVYYRYPBP-SECBINFHSA-N -1 3 308.363 2.866 20 0 DFADHM CC(C)OC(=O)O[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000820142323 606793588 /nfs/dbraw/zinc/79/35/88/606793588.db2.gz KIBDOAVYYRYPBP-VIFPVBQESA-N -1 3 308.363 2.866 20 0 DFADHM CC(C)OC(=O)O[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000820142323 606793589 /nfs/dbraw/zinc/79/35/89/606793589.db2.gz KIBDOAVYYRYPBP-VIFPVBQESA-N -1 3 308.363 2.866 20 0 DFADHM CC[C@@H](C)CSCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820869530 606795855 /nfs/dbraw/zinc/79/58/55/606795855.db2.gz HKGNWQLTBQBEDS-SNVBAGLBSA-N -1 3 305.407 2.585 20 0 DFADHM CC[C@@H](C)CSCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820869530 606795856 /nfs/dbraw/zinc/79/58/56/606795856.db2.gz HKGNWQLTBQBEDS-SNVBAGLBSA-N -1 3 305.407 2.585 20 0 DFADHM CC[C@H](C)CSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820869320 606795921 /nfs/dbraw/zinc/79/59/21/606795921.db2.gz GOFXBFYOEFKVSQ-JTQLQIEISA-N -1 3 305.407 2.585 20 0 DFADHM CC[C@H](C)CSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820869320 606795922 /nfs/dbraw/zinc/79/59/22/606795922.db2.gz GOFXBFYOEFKVSQ-JTQLQIEISA-N -1 3 305.407 2.585 20 0 DFADHM FC(F)(F)c1cccc(OCc2ccccc2-c2nnn[n-]2)n1 ZINC000822729107 606811237 /nfs/dbraw/zinc/81/12/37/606811237.db2.gz TVLBHURYPIVESG-UHFFFAOYSA-N -1 3 321.262 2.860 20 0 DFADHM FC(F)(F)c1cccc(OCc2ccccc2-c2nn[n-]n2)n1 ZINC000822729107 606811238 /nfs/dbraw/zinc/81/12/38/606811238.db2.gz TVLBHURYPIVESG-UHFFFAOYSA-N -1 3 321.262 2.860 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820972474 606815643 /nfs/dbraw/zinc/81/56/43/606815643.db2.gz ODJMEAIOKAAIOL-SRDIGTRLSA-N -1 3 311.389 2.575 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820972474 606815645 /nfs/dbraw/zinc/81/56/45/606815645.db2.gz ODJMEAIOKAAIOL-SRDIGTRLSA-N -1 3 311.389 2.575 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cccc2[nH]ccc21 ZINC000823431825 606819412 /nfs/dbraw/zinc/81/94/12/606819412.db2.gz YKZWFLBGYMUZDY-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cccc2[nH]ccc21 ZINC000823431825 606819413 /nfs/dbraw/zinc/81/94/13/606819413.db2.gz YKZWFLBGYMUZDY-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cccc2[nH]ccc21 ZINC000823431783 606819713 /nfs/dbraw/zinc/81/97/13/606819713.db2.gz WVNIIIQOYSAEHH-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cccc2[nH]ccc21 ZINC000823431783 606819715 /nfs/dbraw/zinc/81/97/15/606819715.db2.gz WVNIIIQOYSAEHH-UHFFFAOYSA-N -1 3 319.324 2.705 20 0 DFADHM CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000820949879 606829883 /nfs/dbraw/zinc/82/98/83/606829883.db2.gz HBRLRJAOYQSMHW-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000820949879 606829884 /nfs/dbraw/zinc/82/98/84/606829884.db2.gz HBRLRJAOYQSMHW-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM CCC1(C(=O)OCc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000820951412 606829998 /nfs/dbraw/zinc/82/99/98/606829998.db2.gz ZWRQCDBRDMMTKK-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM CCC1(C(=O)OCc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000820951412 606829999 /nfs/dbraw/zinc/82/99/99/606829999.db2.gz ZWRQCDBRDMMTKK-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM Cc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)c(C)c1O ZINC000822254226 606833501 /nfs/dbraw/zinc/83/35/01/606833501.db2.gz FDWYQZVULPITNZ-UHFFFAOYSA-N -1 3 315.358 2.503 20 0 DFADHM Cc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)c(C)c1O ZINC000822254226 606833503 /nfs/dbraw/zinc/83/35/03/606833503.db2.gz FDWYQZVULPITNZ-UHFFFAOYSA-N -1 3 315.358 2.503 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(F)c1F ZINC000823449955 606841355 /nfs/dbraw/zinc/84/13/55/606841355.db2.gz GIMQBORLJPPEJI-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1F ZINC000823449955 606841356 /nfs/dbraw/zinc/84/13/56/606841356.db2.gz GIMQBORLJPPEJI-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM Fc1cccc(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822792152 606862570 /nfs/dbraw/zinc/86/25/70/606862570.db2.gz PJTDOKHGVQUNED-UHFFFAOYSA-N -1 3 313.336 2.887 20 0 DFADHM Fc1cccc(NCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822792152 606862571 /nfs/dbraw/zinc/86/25/71/606862571.db2.gz PJTDOKHGVQUNED-UHFFFAOYSA-N -1 3 313.336 2.887 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC/C(Cl)=C/Cl ZINC000821765357 606863985 /nfs/dbraw/zinc/86/39/85/606863985.db2.gz BADUBIVVRKXDBA-YVMONPNESA-N -1 3 300.149 2.606 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC/C(Cl)=C/Cl ZINC000821765357 606863986 /nfs/dbraw/zinc/86/39/86/606863986.db2.gz BADUBIVVRKXDBA-YVMONPNESA-N -1 3 300.149 2.606 20 0 DFADHM CC1(CNC(=O)c2sccc2-c2nnn[n-]2)CCCCC1 ZINC000820619219 606870706 /nfs/dbraw/zinc/87/07/06/606870706.db2.gz ZHOVOMUDOCIUKA-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM CC1(CNC(=O)c2sccc2-c2nn[n-]n2)CCCCC1 ZINC000820619219 606870707 /nfs/dbraw/zinc/87/07/07/606870707.db2.gz ZHOVOMUDOCIUKA-UHFFFAOYSA-N -1 3 305.407 2.628 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@@H]1CCC(F)(F)C1 ZINC000822736901 606881551 /nfs/dbraw/zinc/88/15/51/606881551.db2.gz MDPUAFQBYBRKON-SSDOTTSWSA-N -1 3 301.247 2.745 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H]1CCC(F)(F)C1 ZINC000822736901 606881552 /nfs/dbraw/zinc/88/15/52/606881552.db2.gz MDPUAFQBYBRKON-SSDOTTSWSA-N -1 3 301.247 2.745 20 0 DFADHM C[C@H]1CN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820753299 606884478 /nfs/dbraw/zinc/88/44/78/606884478.db2.gz XTTVVEGBIKQYLU-SJCJKPOMSA-N -1 3 321.384 2.524 20 0 DFADHM C[C@H]1CN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820753299 606884479 /nfs/dbraw/zinc/88/44/79/606884479.db2.gz XTTVVEGBIKQYLU-SJCJKPOMSA-N -1 3 321.384 2.524 20 0 DFADHM CC(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820096994 606887517 /nfs/dbraw/zinc/88/75/17/606887517.db2.gz JRJCUHWRVOMSGK-UHFFFAOYSA-N -1 3 314.267 2.698 20 0 DFADHM CC(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820096994 606887519 /nfs/dbraw/zinc/88/75/19/606887519.db2.gz JRJCUHWRVOMSGK-UHFFFAOYSA-N -1 3 314.267 2.698 20 0 DFADHM CC(C)n1ccnc1CNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820214556 606925133 /nfs/dbraw/zinc/92/51/33/606925133.db2.gz IRAFLRLSTIXPCB-UHFFFAOYSA-N -1 3 317.784 2.910 20 0 DFADHM CC(C)n1ccnc1CNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820214556 606925134 /nfs/dbraw/zinc/92/51/34/606925134.db2.gz IRAFLRLSTIXPCB-UHFFFAOYSA-N -1 3 317.784 2.910 20 0 DFADHM COc1ccc(F)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821828134 606931166 /nfs/dbraw/zinc/93/11/66/606931166.db2.gz QTJGPTDRBCYQJC-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(F)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821828134 606931167 /nfs/dbraw/zinc/93/11/67/606931167.db2.gz QTJGPTDRBCYQJC-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CCC/C=C/C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821040978 606946627 /nfs/dbraw/zinc/94/66/27/606946627.db2.gz WIQHLNRLHNBTJH-RUDMXATFSA-N -1 3 316.361 2.535 20 0 DFADHM CCC/C=C/C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821040978 606946629 /nfs/dbraw/zinc/94/66/29/606946629.db2.gz WIQHLNRLHNBTJH-RUDMXATFSA-N -1 3 316.361 2.535 20 0 DFADHM COc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000821821220 606946963 /nfs/dbraw/zinc/94/69/63/606946963.db2.gz BZQSDTSVFSDQIX-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000821821220 606946964 /nfs/dbraw/zinc/94/69/64/606946964.db2.gz BZQSDTSVFSDQIX-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM CC(C)=C(C)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820004799 606950763 /nfs/dbraw/zinc/95/07/63/606950763.db2.gz CMNSWSURXZGYNI-UHFFFAOYSA-N -1 3 316.361 2.535 20 0 DFADHM CC(C)=C(C)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820004799 606950765 /nfs/dbraw/zinc/95/07/65/606950765.db2.gz CMNSWSURXZGYNI-UHFFFAOYSA-N -1 3 316.361 2.535 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1F ZINC000823368022 606956364 /nfs/dbraw/zinc/95/63/64/606956364.db2.gz RMPTVUPCWIPCBP-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1F ZINC000823368022 606956365 /nfs/dbraw/zinc/95/63/65/606956365.db2.gz RMPTVUPCWIPCBP-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM CN(C(=O)CCC1CC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569360 606960763 /nfs/dbraw/zinc/96/07/63/606960763.db2.gz HSQSPIGDMMMRFT-UHFFFAOYSA-N -1 3 305.769 2.673 20 0 DFADHM CN(C(=O)CCC1CC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569360 606960764 /nfs/dbraw/zinc/96/07/64/606960764.db2.gz HSQSPIGDMMMRFT-UHFFFAOYSA-N -1 3 305.769 2.673 20 0 DFADHM COc1ccccc1N(C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821898479 606963936 /nfs/dbraw/zinc/96/39/36/606963936.db2.gz PDSCZHWGIGSTNO-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM COc1ccccc1N(C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821898479 606963937 /nfs/dbraw/zinc/96/39/37/606963937.db2.gz PDSCZHWGIGSTNO-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM CN(C(=O)C=Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000821569729 606975275 /nfs/dbraw/zinc/97/52/75/606975275.db2.gz TZZSYQPLYZXYGM-VAWYXSNFSA-N -1 3 305.341 2.543 20 0 DFADHM CN(C(=O)C=Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000821569729 606975277 /nfs/dbraw/zinc/97/52/77/606975277.db2.gz TZZSYQPLYZXYGM-VAWYXSNFSA-N -1 3 305.341 2.543 20 0 DFADHM CC(C)(C)/C=C/C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819906045 606999468 /nfs/dbraw/zinc/99/94/68/606999468.db2.gz BFCUQWBLVOYDIO-VOTSOKGWSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)(C)/C=C/C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819906045 606999469 /nfs/dbraw/zinc/99/94/69/606999469.db2.gz BFCUQWBLVOYDIO-VOTSOKGWSA-N -1 3 304.325 2.651 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820675461 607002911 /nfs/dbraw/zinc/00/29/11/607002911.db2.gz JFDCUIRRLPANQO-NGPGYTDTSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820675461 607002912 /nfs/dbraw/zinc/00/29/12/607002912.db2.gz JFDCUIRRLPANQO-NGPGYTDTSA-N -1 3 316.336 2.795 20 0 DFADHM CCC1(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC000820949575 607003385 /nfs/dbraw/zinc/00/33/85/607003385.db2.gz CPLUNUQBFWGORQ-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCC1(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC000820949575 607003387 /nfs/dbraw/zinc/00/33/87/607003387.db2.gz CPLUNUQBFWGORQ-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CC(C)CCn1ccc(NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820081355 607007534 /nfs/dbraw/zinc/00/75/34/607007534.db2.gz DFVPEEVOEDSQMZ-UHFFFAOYSA-N -1 3 311.393 2.721 20 0 DFADHM CC(C)CCn1ccc(NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820081355 607007536 /nfs/dbraw/zinc/00/75/36/607007536.db2.gz DFVPEEVOEDSQMZ-UHFFFAOYSA-N -1 3 311.393 2.721 20 0 DFADHM CC=C(C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)CC ZINC000820833170 607017294 /nfs/dbraw/zinc/01/72/94/607017294.db2.gz SPDIXKIJQYKPHS-WEKRPSOOSA-N -1 3 313.361 2.726 20 0 DFADHM CC=C(C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)CC ZINC000820833170 607017295 /nfs/dbraw/zinc/01/72/95/607017295.db2.gz SPDIXKIJQYKPHS-WEKRPSOOSA-N -1 3 313.361 2.726 20 0 DFADHM Cc1cn(Cc2ccccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000822384470 607022417 /nfs/dbraw/zinc/02/24/17/607022417.db2.gz MNJFXVALKSBWQV-UHFFFAOYSA-N -1 3 305.288 2.626 20 0 DFADHM Cc1cn(Cc2ccccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000822384470 607022419 /nfs/dbraw/zinc/02/24/19/607022419.db2.gz MNJFXVALKSBWQV-UHFFFAOYSA-N -1 3 305.288 2.626 20 0 DFADHM Cc1nnc(N2CCC[C@H](CC(C)C)C2)c(-c2nnn[n-]2)c1C ZINC000822510638 607044671 /nfs/dbraw/zinc/04/46/71/607044671.db2.gz SMIOPHPBACXGJV-CYBMUJFWSA-N -1 3 315.425 2.536 20 0 DFADHM Cc1nnc(N2CCC[C@H](CC(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000822510638 607044673 /nfs/dbraw/zinc/04/46/73/607044673.db2.gz SMIOPHPBACXGJV-CYBMUJFWSA-N -1 3 315.425 2.536 20 0 DFADHM C[C@@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820683597 607044706 /nfs/dbraw/zinc/04/47/06/607044706.db2.gz DGDPVXHCOZEBIO-JHJVBQTASA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820683597 607044708 /nfs/dbraw/zinc/04/47/08/607044708.db2.gz DGDPVXHCOZEBIO-JHJVBQTASA-N -1 3 313.405 2.870 20 0 DFADHM CN(Cc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1F ZINC000821607355 607062738 /nfs/dbraw/zinc/06/27/38/607062738.db2.gz LLYVTASBCIATCY-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1F ZINC000821607355 607062740 /nfs/dbraw/zinc/06/27/40/607062740.db2.gz LLYVTASBCIATCY-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM C[C@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)C(C)(C)C ZINC000819883188 607083257 /nfs/dbraw/zinc/08/32/57/607083257.db2.gz FNQFKYZMDHDYKC-SECBINFHSA-N -1 3 306.341 2.731 20 0 DFADHM C[C@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)C(C)(C)C ZINC000819883188 607083259 /nfs/dbraw/zinc/08/32/59/607083259.db2.gz FNQFKYZMDHDYKC-SECBINFHSA-N -1 3 306.341 2.731 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820686549 607090622 /nfs/dbraw/zinc/09/06/22/607090622.db2.gz YERKFRYNTZKQED-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820686549 607090623 /nfs/dbraw/zinc/09/06/23/607090623.db2.gz YERKFRYNTZKQED-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM O=C([C@H]1CC12CCC2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822918001 607116925 /nfs/dbraw/zinc/11/69/25/607116925.db2.gz XDXSVYILJHYHNI-OAHLLOKOSA-N -1 3 323.400 2.548 20 0 DFADHM O=C([C@H]1CC12CCC2)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822918001 607116926 /nfs/dbraw/zinc/11/69/26/607116926.db2.gz XDXSVYILJHYHNI-OAHLLOKOSA-N -1 3 323.400 2.548 20 0 DFADHM CCC[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821015559 607118110 /nfs/dbraw/zinc/11/81/10/607118110.db2.gz QMWNYRLRUIQWNF-NSHDSACASA-N -1 3 318.377 2.756 20 0 DFADHM CCC[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821015559 607118111 /nfs/dbraw/zinc/11/81/11/607118111.db2.gz QMWNYRLRUIQWNF-NSHDSACASA-N -1 3 318.377 2.756 20 0 DFADHM Fc1cccc(N[C@@H]2CCOC3(CCCC3)C2)c1-c1nnn[n-]1 ZINC000822791221 607131948 /nfs/dbraw/zinc/13/19/48/607131948.db2.gz FLLFITIEBQHRAL-LLVKDONJSA-N -1 3 317.368 2.910 20 0 DFADHM Fc1cccc(N[C@@H]2CCOC3(CCCC3)C2)c1-c1nn[n-]n1 ZINC000822791221 607131950 /nfs/dbraw/zinc/13/19/50/607131950.db2.gz FLLFITIEBQHRAL-LLVKDONJSA-N -1 3 317.368 2.910 20 0 DFADHM Fc1cccc(N[C@H]2CCOC3(CCC3)C2)c1-c1nnn[n-]1 ZINC000822792500 607133606 /nfs/dbraw/zinc/13/36/06/607133606.db2.gz YUJOHBBJWANOLR-JTQLQIEISA-N -1 3 303.341 2.519 20 0 DFADHM Fc1cccc(N[C@H]2CCOC3(CCC3)C2)c1-c1nn[n-]n1 ZINC000822792500 607133607 /nfs/dbraw/zinc/13/36/07/607133607.db2.gz YUJOHBBJWANOLR-JTQLQIEISA-N -1 3 303.341 2.519 20 0 DFADHM CCC(CC)(CC)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000820881974 607150250 /nfs/dbraw/zinc/15/02/50/607150250.db2.gz GOJRYAPZHDHYOH-UHFFFAOYSA-N -1 3 318.377 2.997 20 0 DFADHM CCC(CC)(CC)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000820881974 607150251 /nfs/dbraw/zinc/15/02/51/607150251.db2.gz GOJRYAPZHDHYOH-UHFFFAOYSA-N -1 3 318.377 2.997 20 0 DFADHM CC(C)CC[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820072107 607163705 /nfs/dbraw/zinc/16/37/05/607163705.db2.gz BPJFXLJBAHGSCT-GFCCVEGCSA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)CC[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820072107 607163706 /nfs/dbraw/zinc/16/37/06/607163706.db2.gz BPJFXLJBAHGSCT-GFCCVEGCSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821016380 607164681 /nfs/dbraw/zinc/16/46/81/607164681.db2.gz VLMYLKHMMLXAJV-PWSUYJOCSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821016380 607164684 /nfs/dbraw/zinc/16/46/84/607164684.db2.gz VLMYLKHMMLXAJV-PWSUYJOCSA-N -1 3 319.434 2.969 20 0 DFADHM COCCC1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000821687049 607175713 /nfs/dbraw/zinc/17/57/13/607175713.db2.gz LPONLFFVIHPOMG-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM COCCC1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000821687049 607175714 /nfs/dbraw/zinc/17/57/14/607175714.db2.gz LPONLFFVIHPOMG-UHFFFAOYSA-N -1 3 307.785 2.749 20 0 DFADHM CCCSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821139089 607189240 /nfs/dbraw/zinc/18/92/40/607189240.db2.gz NWCFEFANPFOOGQ-UHFFFAOYSA-N -1 3 311.798 2.602 20 0 DFADHM CCCSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821139089 607189241 /nfs/dbraw/zinc/18/92/41/607189241.db2.gz NWCFEFANPFOOGQ-UHFFFAOYSA-N -1 3 311.798 2.602 20 0 DFADHM CCC[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821015300 607198140 /nfs/dbraw/zinc/19/81/40/607198140.db2.gz OVERSBHEWYPVNT-MRVPVSSYSA-N -1 3 308.773 2.830 20 0 DFADHM CCC[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821015300 607198141 /nfs/dbraw/zinc/19/81/41/607198141.db2.gz OVERSBHEWYPVNT-MRVPVSSYSA-N -1 3 308.773 2.830 20 0 DFADHM CC[C@@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820875875 607198302 /nfs/dbraw/zinc/19/83/02/607198302.db2.gz HUULULCAPZLEPM-MRVPVSSYSA-N -1 3 308.773 2.782 20 0 DFADHM CC[C@@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820875875 607198303 /nfs/dbraw/zinc/19/83/03/607198303.db2.gz HUULULCAPZLEPM-MRVPVSSYSA-N -1 3 308.773 2.782 20 0 DFADHM CC(C)CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820081559 607198824 /nfs/dbraw/zinc/19/88/24/607198824.db2.gz LFEFNNNETDCLAU-UHFFFAOYSA-N -1 3 308.773 2.640 20 0 DFADHM CC(C)CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820081559 607198825 /nfs/dbraw/zinc/19/88/25/607198825.db2.gz LFEFNNNETDCLAU-UHFFFAOYSA-N -1 3 308.773 2.640 20 0 DFADHM CCCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000821082971 607199006 /nfs/dbraw/zinc/19/90/06/607199006.db2.gz QQTKXIAZYFYGFK-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CCCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000821082971 607199007 /nfs/dbraw/zinc/19/90/07/607199007.db2.gz QQTKXIAZYFYGFK-UHFFFAOYSA-N -1 3 320.784 2.926 20 0 DFADHM CC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC000820618501 607204240 /nfs/dbraw/zinc/20/42/40/607204240.db2.gz GNTMUWONQOGMRX-UHFFFAOYSA-N -1 3 320.784 2.832 20 0 DFADHM CC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC000820618501 607204241 /nfs/dbraw/zinc/20/42/41/607204241.db2.gz GNTMUWONQOGMRX-UHFFFAOYSA-N -1 3 320.784 2.832 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCCCCCCO ZINC000820154931 607228501 /nfs/dbraw/zinc/22/85/01/607228501.db2.gz DEOGGBZAFMXJNF-UHFFFAOYSA-N -1 3 319.409 2.619 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCCCCCCO ZINC000820154931 607228502 /nfs/dbraw/zinc/22/85/02/607228502.db2.gz DEOGGBZAFMXJNF-UHFFFAOYSA-N -1 3 319.409 2.619 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)oc1C ZINC000822176008 607243555 /nfs/dbraw/zinc/24/35/55/607243555.db2.gz DKSMJKDPMAHEJQ-UHFFFAOYSA-N -1 3 317.736 2.982 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)oc1C ZINC000822176008 607243556 /nfs/dbraw/zinc/24/35/56/607243556.db2.gz DKSMJKDPMAHEJQ-UHFFFAOYSA-N -1 3 317.736 2.982 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCc2ccccc21 ZINC000823450363 607248322 /nfs/dbraw/zinc/24/83/22/607248322.db2.gz PJSIYEMTYAUDTQ-ZDUSSCGKSA-N -1 3 324.315 2.641 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCc2ccccc21 ZINC000823450363 607248323 /nfs/dbraw/zinc/24/83/23/607248323.db2.gz PJSIYEMTYAUDTQ-ZDUSSCGKSA-N -1 3 324.315 2.641 20 0 DFADHM CCc1ccsc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821495984 607249654 /nfs/dbraw/zinc/24/96/54/607249654.db2.gz ACVRISCJPKNZOH-UHFFFAOYSA-N -1 3 318.333 2.849 20 0 DFADHM CCc1ccsc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821495984 607249655 /nfs/dbraw/zinc/24/96/55/607249655.db2.gz ACVRISCJPKNZOH-UHFFFAOYSA-N -1 3 318.333 2.849 20 0 DFADHM Cc1ccc([C@H](C)C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000822227545 607250450 /nfs/dbraw/zinc/25/04/50/607250450.db2.gz MSSXZPKDYDCTFA-VIFPVBQESA-N -1 3 316.292 2.616 20 0 DFADHM Cc1ccc([C@H](C)C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000822227545 607250451 /nfs/dbraw/zinc/25/04/51/607250451.db2.gz MSSXZPKDYDCTFA-VIFPVBQESA-N -1 3 316.292 2.616 20 0 DFADHM CC(C)c1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cn1 ZINC000824347539 607790530 /nfs/dbraw/zinc/79/05/30/607790530.db2.gz CLJDKRCHPUUKAT-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM CC(C)c1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cn1 ZINC000824347539 607790531 /nfs/dbraw/zinc/79/05/31/607790531.db2.gz CLJDKRCHPUUKAT-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)o1 ZINC000826283356 607791154 /nfs/dbraw/zinc/79/11/54/607791154.db2.gz PBDAFGJISUHKPT-LLVKDONJSA-N -1 3 311.345 2.535 20 0 DFADHM CC(C)(CNC(=O)c1cc(-c2nnn[n-]2)cs1)C1CCCC1 ZINC000824157216 607794444 /nfs/dbraw/zinc/79/44/44/607794444.db2.gz DBFDPGMUEJGVBT-UHFFFAOYSA-N -1 3 319.434 2.874 20 0 DFADHM CC(C)(CNC(=O)c1cc(-c2nn[n-]n2)cs1)C1CCCC1 ZINC000824157216 607794445 /nfs/dbraw/zinc/79/44/45/607794445.db2.gz DBFDPGMUEJGVBT-UHFFFAOYSA-N -1 3 319.434 2.874 20 0 DFADHM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824342176 607794511 /nfs/dbraw/zinc/79/45/11/607794511.db2.gz MDXLJWBTGWXLHI-HAQNSBGRSA-N -1 3 314.393 2.663 20 0 DFADHM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824342176 607794512 /nfs/dbraw/zinc/79/45/12/607794512.db2.gz MDXLJWBTGWXLHI-HAQNSBGRSA-N -1 3 314.393 2.663 20 0 DFADHM S=C(NCCC1=CCCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000826512178 607807649 /nfs/dbraw/zinc/80/76/49/607807649.db2.gz RIVKJXVKDQQILM-UHFFFAOYSA-N -1 3 314.418 2.654 20 0 DFADHM S=C(NCCC1=CCCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000826512178 607807650 /nfs/dbraw/zinc/80/76/50/607807650.db2.gz RIVKJXVKDQQILM-UHFFFAOYSA-N -1 3 314.418 2.654 20 0 DFADHM CCC(CC)(CO)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000825089910 607810352 /nfs/dbraw/zinc/81/03/52/607810352.db2.gz OXEWGRVRDMAGFZ-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CCC(CC)(CO)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000825089910 607810353 /nfs/dbraw/zinc/81/03/53/607810353.db2.gz OXEWGRVRDMAGFZ-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CC(C)[C@@H](O)C(C)(C)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824199708 607819707 /nfs/dbraw/zinc/81/97/07/607819707.db2.gz LWQHMSVYECRFIW-CYBMUJFWSA-N -1 3 323.828 2.975 20 0 DFADHM CC(C)[C@@H](O)C(C)(C)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824199708 607819708 /nfs/dbraw/zinc/81/97/08/607819708.db2.gz LWQHMSVYECRFIW-CYBMUJFWSA-N -1 3 323.828 2.975 20 0 DFADHM CC(C)[C@@H](O)C(C)(C)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000824201187 607819818 /nfs/dbraw/zinc/81/98/18/607819818.db2.gz YFYBXONMWYUERF-CYBMUJFWSA-N -1 3 323.828 2.975 20 0 DFADHM CC(C)[C@@H](O)C(C)(C)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000824201187 607819819 /nfs/dbraw/zinc/81/98/19/607819819.db2.gz YFYBXONMWYUERF-CYBMUJFWSA-N -1 3 323.828 2.975 20 0 DFADHM CC(C)[C@H](O)C(C)(C)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000824201188 607819939 /nfs/dbraw/zinc/81/99/39/607819939.db2.gz YFYBXONMWYUERF-ZDUSSCGKSA-N -1 3 323.828 2.975 20 0 DFADHM CC(C)[C@H](O)C(C)(C)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000824201188 607819940 /nfs/dbraw/zinc/81/99/40/607819940.db2.gz YFYBXONMWYUERF-ZDUSSCGKSA-N -1 3 323.828 2.975 20 0 DFADHM CN(Cc1cccc(Cl)c1)c1cnccc1-c1nnn[n-]1 ZINC000825980685 607838744 /nfs/dbraw/zinc/83/87/44/607838744.db2.gz GRXNHURELDMSBU-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1cccc(Cl)c1)c1cnccc1-c1nn[n-]n1 ZINC000825980685 607838745 /nfs/dbraw/zinc/83/87/45/607838745.db2.gz GRXNHURELDMSBU-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM Cc1cc(F)ccc1OC(=O)c1sccc1-c1nnn[n-]1 ZINC000826268735 607861663 /nfs/dbraw/zinc/86/16/63/607861663.db2.gz LBROZFZLMJFHJO-UHFFFAOYSA-N -1 3 304.306 2.595 20 0 DFADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@H](O)c1ccccc1 ZINC000826242689 607874002 /nfs/dbraw/zinc/87/40/02/607874002.db2.gz AZMMJZWOUGBMLS-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1oc(-c2ccccc2)nc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826340020 607891083 /nfs/dbraw/zinc/89/10/83/607891083.db2.gz DSSNAUVDVDVVFV-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1oc(-c2ccccc2)nc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826340020 607891084 /nfs/dbraw/zinc/89/10/84/607891084.db2.gz DSSNAUVDVDVVFV-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM S=C(Nc1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826511764 607930671 /nfs/dbraw/zinc/93/06/71/607930671.db2.gz CLTOHJPGYRZUFT-UHFFFAOYSA-N -1 3 322.397 2.626 20 0 DFADHM S=C(Nc1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826511764 607930672 /nfs/dbraw/zinc/93/06/72/607930672.db2.gz CLTOHJPGYRZUFT-UHFFFAOYSA-N -1 3 322.397 2.626 20 0 DFADHM Cc1cc(N2CCc3ccc(-c4nnn[n-]4)cc32)nc(C2CC2)n1 ZINC000826269761 607935663 /nfs/dbraw/zinc/93/56/63/607935663.db2.gz WHTFIHQBTAMPHJ-UHFFFAOYSA-N -1 3 319.372 2.537 20 0 DFADHM Cc1cc(N2CCc3ccc(-c4nn[n-]n4)cc32)nc(C2CC2)n1 ZINC000826269761 607935664 /nfs/dbraw/zinc/93/56/64/607935664.db2.gz WHTFIHQBTAMPHJ-UHFFFAOYSA-N -1 3 319.372 2.537 20 0 DFADHM C/C(=C\C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)C(C)(C)C ZINC000823943927 607946164 /nfs/dbraw/zinc/94/61/64/607946164.db2.gz VHXWGOZALLZLBE-PKNBQFBNSA-N -1 3 311.389 2.748 20 0 DFADHM C/C(=C\C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)C(C)(C)C ZINC000823943927 607946165 /nfs/dbraw/zinc/94/61/65/607946165.db2.gz VHXWGOZALLZLBE-PKNBQFBNSA-N -1 3 311.389 2.748 20 0 DFADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(C)c1 ZINC000826282122 607949281 /nfs/dbraw/zinc/94/92/81/607949281.db2.gz YWZNMBZOCVMOGV-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(C)c1 ZINC000826282122 607949282 /nfs/dbraw/zinc/94/92/82/607949282.db2.gz YWZNMBZOCVMOGV-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM CCc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825704628 607949776 /nfs/dbraw/zinc/94/97/76/607949776.db2.gz KVMOQNDAJHJZDO-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM CCc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000825704628 607949777 /nfs/dbraw/zinc/94/97/77/607949777.db2.gz KVMOQNDAJHJZDO-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM O=C(C=Cc1ccsc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826402930 607950264 /nfs/dbraw/zinc/95/02/64/607950264.db2.gz GFBMQGPJQRZZTD-RJRFIUFISA-N -1 3 323.381 2.531 20 0 DFADHM O=C(C=Cc1ccsc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826402930 607950265 /nfs/dbraw/zinc/95/02/65/607950265.db2.gz GFBMQGPJQRZZTD-RJRFIUFISA-N -1 3 323.381 2.531 20 0 DFADHM CCCC[C@H](CC)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825259233 607950700 /nfs/dbraw/zinc/95/07/00/607950700.db2.gz HEPXJRHKZRWVAB-LBPRGKRZSA-N -1 3 313.405 2.972 20 0 DFADHM CCCC[C@H](CC)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825259233 607950701 /nfs/dbraw/zinc/95/07/01/607950701.db2.gz HEPXJRHKZRWVAB-LBPRGKRZSA-N -1 3 313.405 2.972 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@H](C)SC)s1 ZINC000825694559 607962258 /nfs/dbraw/zinc/96/22/58/607962258.db2.gz ULFNUHONCYZWKO-ZETCQYMHSA-N -1 3 311.436 2.571 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@H](C)SC)s1 ZINC000825694559 607962259 /nfs/dbraw/zinc/96/22/59/607962259.db2.gz ULFNUHONCYZWKO-ZETCQYMHSA-N -1 3 311.436 2.571 20 0 DFADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cn2)Cc2ccccc21 ZINC000824812730 607967106 /nfs/dbraw/zinc/96/71/06/607967106.db2.gz OYGQGWREWIVWBE-UHFFFAOYSA-N -1 3 306.373 2.560 20 0 DFADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cn2)Cc2ccccc21 ZINC000824812730 607967107 /nfs/dbraw/zinc/96/71/07/607967107.db2.gz OYGQGWREWIVWBE-UHFFFAOYSA-N -1 3 306.373 2.560 20 0 DFADHM COc1ccc(COc2ccc(Cl)nc2)cc1-c1nnn[n-]1 ZINC000826207367 607973558 /nfs/dbraw/zinc/97/35/58/607973558.db2.gz LQPXISWYPLZYHJ-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COc1ccc(COc2ccc(Cl)nc2)cc1-c1nn[n-]n1 ZINC000826207367 607973559 /nfs/dbraw/zinc/97/35/59/607973559.db2.gz LQPXISWYPLZYHJ-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM CC(C)(C)C1=CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824071288 608003509 /nfs/dbraw/zinc/00/35/09/608003509.db2.gz HHXWNCKTSULZPW-UHFFFAOYSA-N -1 3 311.389 2.685 20 0 DFADHM CC(C)(C)C1=CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824071288 608003510 /nfs/dbraw/zinc/00/35/10/608003510.db2.gz HHXWNCKTSULZPW-UHFFFAOYSA-N -1 3 311.389 2.685 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCc2ccsc2C1 ZINC000826372257 608018956 /nfs/dbraw/zinc/01/89/56/608018956.db2.gz ORAIOBODRFMXPM-UHFFFAOYSA-N -1 3 301.350 2.630 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)NC1CCC(F)(F)CC1 ZINC000826452250 608049683 /nfs/dbraw/zinc/04/96/83/608049683.db2.gz MNEIKWGJRURYBD-UHFFFAOYSA-N -1 3 322.319 2.566 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)NC1CCC(F)(F)CC1 ZINC000826452250 608049684 /nfs/dbraw/zinc/04/96/84/608049684.db2.gz MNEIKWGJRURYBD-UHFFFAOYSA-N -1 3 322.319 2.566 20 0 DFADHM C[C@@H]1C[C@H](C)N(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824875352 608050034 /nfs/dbraw/zinc/05/00/34/608050034.db2.gz LZKMJJBIRYDMQH-BDAKNGLRSA-N -1 3 322.210 2.864 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000825094758 608060382 /nfs/dbraw/zinc/06/03/82/608060382.db2.gz BDNUMQGNBKOXCH-SNVBAGLBSA-N -1 3 317.393 2.886 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000825094758 608060383 /nfs/dbraw/zinc/06/03/83/608060383.db2.gz BDNUMQGNBKOXCH-SNVBAGLBSA-N -1 3 317.393 2.886 20 0 DFADHM c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000826514631 608099215 /nfs/dbraw/zinc/09/92/15/608099215.db2.gz XNCZIIPEIXNHRA-FRRDWIJNSA-N -1 3 319.459 2.658 20 0 DFADHM CCC[C@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825225079 608115543 /nfs/dbraw/zinc/11/55/43/608115543.db2.gz KUTBPNSISVHNPO-HNNXBMFYSA-N -1 3 315.421 2.897 20 0 DFADHM CCC[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825225079 608115544 /nfs/dbraw/zinc/11/55/44/608115544.db2.gz KUTBPNSISVHNPO-HNNXBMFYSA-N -1 3 315.421 2.897 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1Cn1cnc(Cl)c1Cl ZINC000826373510 608143710 /nfs/dbraw/zinc/14/37/10/608143710.db2.gz OYORUGDPIWRDKN-UHFFFAOYSA-N -1 3 313.123 2.557 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1Cn1cnc(Cl)c1Cl ZINC000826373510 608143711 /nfs/dbraw/zinc/14/37/11/608143711.db2.gz OYORUGDPIWRDKN-UHFFFAOYSA-N -1 3 313.123 2.557 20 0 DFADHM CCC1(CO)CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000825170684 608151456 /nfs/dbraw/zinc/15/14/56/608151456.db2.gz FTYYHAJHCMKUKE-UHFFFAOYSA-N -1 3 321.812 2.509 20 0 DFADHM CCC1(CO)CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000825170684 608151458 /nfs/dbraw/zinc/15/14/58/608151458.db2.gz FTYYHAJHCMKUKE-UHFFFAOYSA-N -1 3 321.812 2.509 20 0 DFADHM C[C@H]1CCC[C@@H](COC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824928862 608172041 /nfs/dbraw/zinc/17/20/41/608172041.db2.gz VNHVLCGZWOGDME-GXTWGEPZSA-N -1 3 314.389 2.779 20 0 DFADHM C[C@H]1CCC[C@@H](COC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824928862 608172044 /nfs/dbraw/zinc/17/20/44/608172044.db2.gz VNHVLCGZWOGDME-GXTWGEPZSA-N -1 3 314.389 2.779 20 0 DFADHM C[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC12CCC2 ZINC000824957851 608200079 /nfs/dbraw/zinc/20/00/79/608200079.db2.gz ZZJKDPUVKPZQQU-LBPRGKRZSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC12CCC2 ZINC000824957851 608200081 /nfs/dbraw/zinc/20/00/81/608200081.db2.gz ZZJKDPUVKPZQQU-LBPRGKRZSA-N -1 3 311.389 2.519 20 0 DFADHM Cc1cnc(COc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826318786 608219099 /nfs/dbraw/zinc/21/90/99/608219099.db2.gz YYZFOZURCVDEGY-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM Cc1cnc(COc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826318786 608219101 /nfs/dbraw/zinc/21/91/01/608219101.db2.gz YYZFOZURCVDEGY-UHFFFAOYSA-N -1 3 307.766 2.864 20 0 DFADHM CN(Cc1ccoc1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825986163 608223622 /nfs/dbraw/zinc/22/36/22/608223622.db2.gz RTEWOYZBMREYFE-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CN(Cc1ccoc1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825986163 608223623 /nfs/dbraw/zinc/22/36/23/608223623.db2.gz RTEWOYZBMREYFE-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM C[C@@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@@H]1C ZINC000824961062 608236032 /nfs/dbraw/zinc/23/60/32/608236032.db2.gz ASFYPRPBAAHEFM-NEPJUHHUSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@@H]1C ZINC000824961062 608236033 /nfs/dbraw/zinc/23/60/33/608236033.db2.gz ASFYPRPBAAHEFM-NEPJUHHUSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC[C@@H]1C ZINC000824961064 608236072 /nfs/dbraw/zinc/23/60/72/608236072.db2.gz ASFYPRPBAAHEFM-RYUDHWBXSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC[C@@H]1C ZINC000824961064 608236074 /nfs/dbraw/zinc/23/60/74/608236074.db2.gz ASFYPRPBAAHEFM-RYUDHWBXSA-N -1 3 308.389 2.897 20 0 DFADHM CSc1cc(CNc2ccc(-c3nn[n-]n3)cc2F)ccn1 ZINC000826230251 608241505 /nfs/dbraw/zinc/24/15/05/608241505.db2.gz LBJATLJDAIQQFG-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM CC(C)[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824214772 608242178 /nfs/dbraw/zinc/24/21/78/608242178.db2.gz IBRZAASKMARLLQ-RISCZKNCSA-N -1 3 305.357 2.621 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CSC1=N[C@@H](C)CS1 ZINC000826173359 608265575 /nfs/dbraw/zinc/26/55/75/608265575.db2.gz ACRMKYDZIARMQL-QMMMGPOBSA-N -1 3 321.431 2.600 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CSC1=N[C@@H](C)CS1 ZINC000826173359 608265577 /nfs/dbraw/zinc/26/55/77/608265577.db2.gz ACRMKYDZIARMQL-QMMMGPOBSA-N -1 3 321.431 2.600 20 0 DFADHM C[C@@H]1CSC(SCc2cc(F)ccc2-c2nnn[n-]2)=N1 ZINC000825012443 608265670 /nfs/dbraw/zinc/26/56/70/608265670.db2.gz JGBLJIYKAFETOI-SSDOTTSWSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@@H]1CSC(SCc2cc(F)ccc2-c2nn[n-]n2)=N1 ZINC000825012443 608265671 /nfs/dbraw/zinc/26/56/71/608265671.db2.gz JGBLJIYKAFETOI-SSDOTTSWSA-N -1 3 309.395 2.730 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCc3sccc3[C@H]2C)n1 ZINC000826275337 608270966 /nfs/dbraw/zinc/27/09/66/608270966.db2.gz WWLWMZGMUDHZJG-SNVBAGLBSA-N -1 3 312.402 2.755 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCc3sccc3[C@H]2C)n1 ZINC000826275337 608270968 /nfs/dbraw/zinc/27/09/68/608270968.db2.gz WWLWMZGMUDHZJG-SNVBAGLBSA-N -1 3 312.402 2.755 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCc3ccccc3C2)n1 ZINC000826276305 608270995 /nfs/dbraw/zinc/27/09/95/608270995.db2.gz ZWAQCXSRVAZVGH-AWEZNQCLSA-N -1 3 306.373 2.540 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCc3ccccc3C2)n1 ZINC000826276305 608270996 /nfs/dbraw/zinc/27/09/96/608270996.db2.gz ZWAQCXSRVAZVGH-AWEZNQCLSA-N -1 3 306.373 2.540 20 0 DFADHM CCC(CC)CCOC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825108669 608275672 /nfs/dbraw/zinc/27/56/72/608275672.db2.gz YVGFMNOGFHYYSD-UHFFFAOYSA-N -1 3 302.378 2.779 20 0 DFADHM CCC(CC)CCOC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825108669 608275673 /nfs/dbraw/zinc/27/56/73/608275673.db2.gz YVGFMNOGFHYYSD-UHFFFAOYSA-N -1 3 302.378 2.779 20 0 DFADHM CCOc1ccccc1CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC000825654191 608276301 /nfs/dbraw/zinc/27/63/01/608276301.db2.gz QYARBKSCZXGYKR-UHFFFAOYSA-N -1 3 324.388 2.605 20 0 DFADHM CCOc1ccccc1CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC000825654191 608276304 /nfs/dbraw/zinc/27/63/04/608276304.db2.gz QYARBKSCZXGYKR-UHFFFAOYSA-N -1 3 324.388 2.605 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)Cc2ccccc2F)n1 ZINC000826275130 608277154 /nfs/dbraw/zinc/27/71/54/608277154.db2.gz PVJDVODZWLBMOV-NSHDSACASA-N -1 3 312.352 2.752 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)Cc2ccccc2F)n1 ZINC000826275130 608277155 /nfs/dbraw/zinc/27/71/55/608277155.db2.gz PVJDVODZWLBMOV-NSHDSACASA-N -1 3 312.352 2.752 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)n1 ZINC000826276001 608298720 /nfs/dbraw/zinc/29/87/20/608298720.db2.gz QVUYZASVTMRZEV-XHSDSOJGSA-N -1 3 318.384 2.568 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)n1 ZINC000826276001 608298722 /nfs/dbraw/zinc/29/87/22/608298722.db2.gz QVUYZASVTMRZEV-XHSDSOJGSA-N -1 3 318.384 2.568 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)n1 ZINC000826275999 608299064 /nfs/dbraw/zinc/29/90/64/608299064.db2.gz QVUYZASVTMRZEV-BZUAXINKSA-N -1 3 318.384 2.568 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)n1 ZINC000826275999 608299067 /nfs/dbraw/zinc/29/90/67/608299067.db2.gz QVUYZASVTMRZEV-BZUAXINKSA-N -1 3 318.384 2.568 20 0 DFADHM Cc1nnc(CSCc2cc(F)ccc2-c2nnn[n-]2)s1 ZINC000826335941 608300121 /nfs/dbraw/zinc/30/01/21/608300121.db2.gz HKDGKYYEIUGLQN-UHFFFAOYSA-N -1 3 322.394 2.599 20 0 DFADHM Cc1nnc(CSCc2cc(F)ccc2-c2nn[n-]n2)s1 ZINC000826335941 608300123 /nfs/dbraw/zinc/30/01/23/608300123.db2.gz HKDGKYYEIUGLQN-UHFFFAOYSA-N -1 3 322.394 2.599 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCO[C@H](C(C)(C)C)C2)n1 ZINC000826275918 608302098 /nfs/dbraw/zinc/30/20/98/608302098.db2.gz OKKRCSYNXGHNLS-YPMHNXCESA-N -1 3 316.409 2.576 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCO[C@H](C(C)(C)C)C2)n1 ZINC000826275918 608302100 /nfs/dbraw/zinc/30/21/00/608302100.db2.gz OKKRCSYNXGHNLS-YPMHNXCESA-N -1 3 316.409 2.576 20 0 DFADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1F ZINC000824648698 608304619 /nfs/dbraw/zinc/30/46/19/608304619.db2.gz IXLORBMADREGNK-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1F ZINC000824648698 608304620 /nfs/dbraw/zinc/30/46/20/608304620.db2.gz IXLORBMADREGNK-MRVPVSSYSA-N -1 3 302.288 2.713 20 0 DFADHM Cc1c(NC(=O)N2CC[C@H](C)[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC000826241688 608308254 /nfs/dbraw/zinc/30/82/54/608308254.db2.gz LOFVWCGVNBNEED-WDEREUQCSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1c(NC(=O)N2CC[C@H](C)[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC000826241688 608308256 /nfs/dbraw/zinc/30/82/56/608308256.db2.gz LOFVWCGVNBNEED-WDEREUQCSA-N -1 3 314.393 2.685 20 0 DFADHM COc1c(C)cc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1C ZINC000826166880 608338893 /nfs/dbraw/zinc/33/88/93/608338893.db2.gz FWLZLARPWNQBAX-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM COc1c(C)cc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1C ZINC000826166880 608338895 /nfs/dbraw/zinc/33/88/95/608338895.db2.gz FWLZLARPWNQBAX-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM CCN(C(=O)C1CC=CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366612 608344102 /nfs/dbraw/zinc/34/41/02/608344102.db2.gz CMOPSEUIZXZHSZ-UHFFFAOYSA-N -1 3 317.780 2.839 20 0 DFADHM CCN(C(=O)C1CC=CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366612 608344103 /nfs/dbraw/zinc/34/41/03/608344103.db2.gz CMOPSEUIZXZHSZ-UHFFFAOYSA-N -1 3 317.780 2.839 20 0 DFADHM CCN(C(=O)/C=C/SC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367269 608345109 /nfs/dbraw/zinc/34/51/09/608345109.db2.gz MJXFMLKUZSGUBL-VOTSOKGWSA-N -1 3 323.809 2.750 20 0 DFADHM CCN(C(=O)/C=C/SC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367269 608345111 /nfs/dbraw/zinc/34/51/11/608345111.db2.gz MJXFMLKUZSGUBL-VOTSOKGWSA-N -1 3 323.809 2.750 20 0 DFADHM Fc1c(CN2CCC[C@H]2c2ccc[nH]2)cccc1-c1nnn[n-]1 ZINC000826371245 608402899 /nfs/dbraw/zinc/40/28/99/608402899.db2.gz YETFYOZSKSXEHK-AWEZNQCLSA-N -1 3 312.352 2.671 20 0 DFADHM Cc1nnc(CSCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000826335820 608406915 /nfs/dbraw/zinc/40/69/15/608406915.db2.gz CQEQYCTXRPQIEI-UHFFFAOYSA-N -1 3 322.394 2.599 20 0 DFADHM Cc1nnc(CSCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000826335820 608406916 /nfs/dbraw/zinc/40/69/16/608406916.db2.gz CQEQYCTXRPQIEI-UHFFFAOYSA-N -1 3 322.394 2.599 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826145560 608415082 /nfs/dbraw/zinc/41/50/82/608415082.db2.gz IXYHPMHOWUAIKO-DZGCQCFKSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826145560 608415083 /nfs/dbraw/zinc/41/50/83/608415083.db2.gz IXYHPMHOWUAIKO-DZGCQCFKSA-N -1 3 324.388 2.642 20 0 DFADHM COc1ccc(CCOc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826192651 608475821 /nfs/dbraw/zinc/47/58/21/608475821.db2.gz VRCCXYLZQRZAEE-UHFFFAOYSA-N -1 3 314.320 2.636 20 0 DFADHM COc1ccc(CCOc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826192651 608475822 /nfs/dbraw/zinc/47/58/22/608475822.db2.gz VRCCXYLZQRZAEE-UHFFFAOYSA-N -1 3 314.320 2.636 20 0 DFADHM c1cc2cc(OCCOc3ccc(-c4nn[n-]n4)cc3)ccc2[nH]1 ZINC000826518556 608498694 /nfs/dbraw/zinc/49/86/94/608498694.db2.gz RKIOZLPKJUNLCU-UHFFFAOYSA-N -1 3 321.340 2.806 20 0 DFADHM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824763199 608510346 /nfs/dbraw/zinc/51/03/46/608510346.db2.gz KVLHSYUGJIYWMV-VIFPVBQESA-N -1 3 319.315 2.931 20 0 DFADHM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824763199 608510348 /nfs/dbraw/zinc/51/03/48/608510348.db2.gz KVLHSYUGJIYWMV-VIFPVBQESA-N -1 3 319.315 2.931 20 0 DFADHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(F)c(F)c1 ZINC000825965706 608521521 /nfs/dbraw/zinc/52/15/21/608521521.db2.gz CYOFQTRAYGUUGE-UHFFFAOYSA-N -1 3 321.356 2.838 20 0 DFADHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccc(F)c(F)c1 ZINC000825965706 608521522 /nfs/dbraw/zinc/52/15/22/608521522.db2.gz CYOFQTRAYGUUGE-UHFFFAOYSA-N -1 3 321.356 2.838 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc2c(c1)COC2 ZINC000826170815 608542433 /nfs/dbraw/zinc/54/24/33/608542433.db2.gz QGCUWIJFYQGJQN-UHFFFAOYSA-N -1 3 323.356 2.518 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc2c(c1)COC2 ZINC000826170815 608542435 /nfs/dbraw/zinc/54/24/35/608542435.db2.gz QGCUWIJFYQGJQN-UHFFFAOYSA-N -1 3 323.356 2.518 20 0 DFADHM c1nn(-c2ccccc2)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826519545 608567563 /nfs/dbraw/zinc/56/75/63/608567563.db2.gz CKNFPLGBYWBNIV-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM c1nn(-c2ccccc2)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826519545 608567565 /nfs/dbraw/zinc/56/75/65/608567565.db2.gz CKNFPLGBYWBNIV-UHFFFAOYSA-N -1 3 317.356 2.665 20 0 DFADHM Cc1csc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000826320762 608574311 /nfs/dbraw/zinc/57/43/11/608574311.db2.gz CRQQXXPDPDMJMK-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1csc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000826320762 608574313 /nfs/dbraw/zinc/57/43/13/608574313.db2.gz CRQQXXPDPDMJMK-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Fc1cccc(N2CC=C(c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826377631 608584344 /nfs/dbraw/zinc/58/43/44/608584344.db2.gz ZLVUBGHHUPTNNV-UHFFFAOYSA-N -1 3 307.332 2.909 20 0 DFADHM Fc1cccc(N2CC=C(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826377631 608584346 /nfs/dbraw/zinc/58/43/46/608584346.db2.gz ZLVUBGHHUPTNNV-UHFFFAOYSA-N -1 3 307.332 2.909 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)s1)CC(F)(F)F ZINC000825323444 608598355 /nfs/dbraw/zinc/59/83/55/608598355.db2.gz WDCDWMHZWLTTOV-UHFFFAOYSA-N -1 3 305.329 2.703 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)[C@H]1C ZINC000824938828 608607754 /nfs/dbraw/zinc/60/77/54/608607754.db2.gz WELGHDUMSUKRJN-ZJUUUORDSA-N -1 3 318.356 2.658 20 0 DFADHM C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)[C@H]1C ZINC000824938828 608607757 /nfs/dbraw/zinc/60/77/57/608607757.db2.gz WELGHDUMSUKRJN-ZJUUUORDSA-N -1 3 318.356 2.658 20 0 DFADHM Cc1c(NC(=O)N2C[C@H](C)CC[C@H]2C)cccc1-c1nnn[n-]1 ZINC000826241713 608609285 /nfs/dbraw/zinc/60/92/85/608609285.db2.gz LYPSZMPEQUOBBS-GHMZBOCLSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2C[C@H](C)CC[C@H]2C)cccc1-c1nn[n-]n1 ZINC000826241713 608609288 /nfs/dbraw/zinc/60/92/88/608609288.db2.gz LYPSZMPEQUOBBS-GHMZBOCLSA-N -1 3 314.393 2.827 20 0 DFADHM CCSCCNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000825674666 608618032 /nfs/dbraw/zinc/61/80/32/608618032.db2.gz POZVWRUSHQLRAQ-UHFFFAOYSA-N -1 3 307.423 2.819 20 0 DFADHM CCSCCNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000825674666 608618034 /nfs/dbraw/zinc/61/80/34/608618034.db2.gz POZVWRUSHQLRAQ-UHFFFAOYSA-N -1 3 307.423 2.819 20 0 DFADHM Fc1c(CN2CCc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC000826370761 608642870 /nfs/dbraw/zinc/64/28/70/608642870.db2.gz GNEGZAVXNHVIIP-UHFFFAOYSA-N -1 3 309.348 2.564 20 0 DFADHM CCc1cnc(CN(C)Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000825735736 608740322 /nfs/dbraw/zinc/74/03/22/608740322.db2.gz UGQNHDZPBWYBFD-UHFFFAOYSA-N -1 3 320.447 2.579 20 0 DFADHM CCc1cnc(CN(C)Cc2cc(-c3nn[n-]n3)cs2)s1 ZINC000825735736 608740327 /nfs/dbraw/zinc/74/03/27/608740327.db2.gz UGQNHDZPBWYBFD-UHFFFAOYSA-N -1 3 320.447 2.579 20 0 DFADHM Cc1ccc(C2=CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826284883 608768888 /nfs/dbraw/zinc/76/88/88/608768888.db2.gz IYYVKUHBNMJTEM-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM Cc1ccc(C2=CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826284883 608768889 /nfs/dbraw/zinc/76/88/89/608768889.db2.gz IYYVKUHBNMJTEM-UHFFFAOYSA-N -1 3 318.384 2.864 20 0 DFADHM C[C@@H](CNc1cnccc1-c1nnn[n-]1)COCc1ccccc1 ZINC000824433730 608776420 /nfs/dbraw/zinc/77/64/20/608776420.db2.gz HGFCSPSUNHCREJ-ZDUSSCGKSA-N -1 3 324.388 2.527 20 0 DFADHM C[C@@H](CNc1cnccc1-c1nn[n-]n1)COCc1ccccc1 ZINC000824433730 608776424 /nfs/dbraw/zinc/77/64/24/608776424.db2.gz HGFCSPSUNHCREJ-ZDUSSCGKSA-N -1 3 324.388 2.527 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2cnccc2-c2nnn[n-]2)s1 ZINC000826287207 608787099 /nfs/dbraw/zinc/78/70/99/608787099.db2.gz HLFSTWMQVUJOKU-SECBINFHSA-N -1 3 300.391 2.675 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2cnccc2-c2nn[n-]n2)s1 ZINC000826287207 608787101 /nfs/dbraw/zinc/78/71/01/608787101.db2.gz HLFSTWMQVUJOKU-SECBINFHSA-N -1 3 300.391 2.675 20 0 DFADHM COc1ccc(C[C@@H](C)CNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826191445 608796908 /nfs/dbraw/zinc/79/69/08/608796908.db2.gz HFZHHFFOXGXWRA-GFCCVEGCSA-N -1 3 324.388 2.561 20 0 DFADHM COc1ccc(C[C@@H](C)CNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826191445 608796909 /nfs/dbraw/zinc/79/69/09/608796909.db2.gz HFZHHFFOXGXWRA-GFCCVEGCSA-N -1 3 324.388 2.561 20 0 DFADHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@H](c2ccco2)C1 ZINC000824962938 609164701 /nfs/dbraw/zinc/16/47/01/609164701.db2.gz YGVRLVRZFDIQKH-FZMZJTMJSA-N -1 3 310.361 2.832 20 0 DFADHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@H](c2ccco2)C1 ZINC000824962938 609164702 /nfs/dbraw/zinc/16/47/02/609164702.db2.gz YGVRLVRZFDIQKH-FZMZJTMJSA-N -1 3 310.361 2.832 20 0 DFADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824908330 609175826 /nfs/dbraw/zinc/17/58/26/609175826.db2.gz NZAWHZHDVXWSRZ-BDAKNGLRSA-N -1 3 315.299 2.623 20 0 DFADHM CC(C)C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824236430 609191908 /nfs/dbraw/zinc/19/19/08/609191908.db2.gz NSTBSKBQRXXORM-CQSZACIVSA-N -1 3 324.388 2.712 20 0 DFADHM CC(C)C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824236430 609191909 /nfs/dbraw/zinc/19/19/09/609191909.db2.gz NSTBSKBQRXXORM-CQSZACIVSA-N -1 3 324.388 2.712 20 0 DFADHM C[C@@H](c1ccccn1)N(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824770038 609200621 /nfs/dbraw/zinc/20/06/21/609200621.db2.gz CUTRIPASEVDVTB-JTQLQIEISA-N -1 3 300.391 2.516 20 0 DFADHM Cc1ccc([C@@H](C)N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826283064 609200905 /nfs/dbraw/zinc/20/09/05/609200905.db2.gz JPKSOOVKTRCMAH-GFCCVEGCSA-N -1 3 324.388 2.645 20 0 DFADHM Cc1ccc([C@@H](C)N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826283064 609200906 /nfs/dbraw/zinc/20/09/06/609200906.db2.gz JPKSOOVKTRCMAH-GFCCVEGCSA-N -1 3 324.388 2.645 20 0 DFADHM CCCCC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC000825265892 609213166 /nfs/dbraw/zinc/21/31/66/609213166.db2.gz CFUSEOFEYNWHRA-ZDUSSCGKSA-N -1 3 318.425 2.920 20 0 DFADHM CCCCC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000825265892 609213168 /nfs/dbraw/zinc/21/31/68/609213168.db2.gz CFUSEOFEYNWHRA-ZDUSSCGKSA-N -1 3 318.425 2.920 20 0 DFADHM CC1(C)CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC(C)(C)C1 ZINC000824790810 609232258 /nfs/dbraw/zinc/23/22/58/609232258.db2.gz RLDMMQMOIPYRRH-UHFFFAOYSA-N -1 3 316.409 2.530 20 0 DFADHM CC1(C)CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC(C)(C)C1 ZINC000824790810 609232260 /nfs/dbraw/zinc/23/22/60/609232260.db2.gz RLDMMQMOIPYRRH-UHFFFAOYSA-N -1 3 316.409 2.530 20 0 DFADHM CCCn1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC000825361606 609245454 /nfs/dbraw/zinc/24/54/54/609245454.db2.gz FXAMONGBFATCSZ-SNVBAGLBSA-N -1 3 315.356 2.785 20 0 DFADHM CCCn1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC000825361606 609245455 /nfs/dbraw/zinc/24/54/55/609245455.db2.gz FXAMONGBFATCSZ-SNVBAGLBSA-N -1 3 315.356 2.785 20 0 DFADHM C[C@@H](Nc1cnn(CC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662638 609247167 /nfs/dbraw/zinc/24/71/67/609247167.db2.gz OQGVYECLPAJUMU-SECBINFHSA-N -1 3 319.319 2.501 20 0 DFADHM C[C@@H](Nc1cnn(CC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662638 609247168 /nfs/dbraw/zinc/24/71/68/609247168.db2.gz OQGVYECLPAJUMU-SECBINFHSA-N -1 3 319.319 2.501 20 0 DFADHM CC(C)Cn1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000824280145 609252691 /nfs/dbraw/zinc/25/26/91/609252691.db2.gz DSHSDSCGYFRQIG-GFCCVEGCSA-N -1 3 311.393 2.892 20 0 DFADHM CC(C)Cn1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000824280145 609252692 /nfs/dbraw/zinc/25/26/92/609252692.db2.gz DSHSDSCGYFRQIG-GFCCVEGCSA-N -1 3 311.393 2.892 20 0 DFADHM C[C@@H](Nc1ccc2c(c1)ncn2C)c1cccc(-c2nn[n-]n2)c1 ZINC000824658646 609279617 /nfs/dbraw/zinc/27/96/17/609279617.db2.gz ZEXVEAPYOZGEKA-LLVKDONJSA-N -1 3 319.372 2.927 20 0 DFADHM CCC[C@@H](C)N(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825233841 609288603 /nfs/dbraw/zinc/28/86/03/609288603.db2.gz SOIRCMJVYMKPSX-SECBINFHSA-N -1 3 307.785 2.781 20 0 DFADHM CCC[C@@H](C)N(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825233841 609288604 /nfs/dbraw/zinc/28/86/04/609288604.db2.gz SOIRCMJVYMKPSX-SECBINFHSA-N -1 3 307.785 2.781 20 0 DFADHM Cc1nnc(SCC2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000826336936 609306993 /nfs/dbraw/zinc/30/69/93/609306993.db2.gz VJAOFESNNOBBRG-UHFFFAOYSA-N -1 3 304.423 2.946 20 0 DFADHM Cc1nnc(SCC2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000826336936 609306992 /nfs/dbraw/zinc/30/69/92/609306992.db2.gz VJAOFESNNOBBRG-UHFFFAOYSA-N -1 3 304.423 2.946 20 0 DFADHM Cc1c(NCc2ccc3c(c2)COC3)cccc1-c1nnn[n-]1 ZINC000826242633 609312991 /nfs/dbraw/zinc/31/29/91/609312991.db2.gz YMCMBXGUSHOFJV-UHFFFAOYSA-N -1 3 307.357 2.817 20 0 DFADHM Cc1c(NCc2ccc3c(c2)COC3)cccc1-c1nn[n-]n1 ZINC000826242633 609312992 /nfs/dbraw/zinc/31/29/92/609312992.db2.gz YMCMBXGUSHOFJV-UHFFFAOYSA-N -1 3 307.357 2.817 20 0 DFADHM Cc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)s1)OCO2 ZINC000826273246 609320513 /nfs/dbraw/zinc/32/05/13/609320513.db2.gz VGXIDTIHSVTGGZ-UHFFFAOYSA-N -1 3 315.358 2.577 20 0 DFADHM CN(C[C@@H]1CCCC[C@H]1O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825908470 609324993 /nfs/dbraw/zinc/32/49/93/609324993.db2.gz IEOLZKOCIQFRKN-IINYFYTJSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@@H]1CCCC[C@H]1O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825908470 609324995 /nfs/dbraw/zinc/32/49/95/609324995.db2.gz IEOLZKOCIQFRKN-IINYFYTJSA-N -1 3 321.812 2.507 20 0 DFADHM Cc1cccc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826298183 609328604 /nfs/dbraw/zinc/32/86/04/609328604.db2.gz HLXXGCQBHNEBCR-NSHDSACASA-N -1 3 312.352 2.560 20 0 DFADHM Cc1cccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826298183 609328606 /nfs/dbraw/zinc/32/86/06/609328606.db2.gz HLXXGCQBHNEBCR-NSHDSACASA-N -1 3 312.352 2.560 20 0 DFADHM CCCn1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000825361533 609347885 /nfs/dbraw/zinc/34/78/85/609347885.db2.gz DTDQBTQQBYKRNE-SNVBAGLBSA-N -1 3 315.356 2.785 20 0 DFADHM CCCn1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000825361533 609347887 /nfs/dbraw/zinc/34/78/87/609347887.db2.gz DTDQBTQQBYKRNE-SNVBAGLBSA-N -1 3 315.356 2.785 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000824795786 609391673 /nfs/dbraw/zinc/39/16/73/609391673.db2.gz DQPZWHSHYOWWLL-NSHDSACASA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000824795786 609391675 /nfs/dbraw/zinc/39/16/75/609391675.db2.gz DQPZWHSHYOWWLL-NSHDSACASA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000824795785 609391807 /nfs/dbraw/zinc/39/18/07/609391807.db2.gz DQPZWHSHYOWWLL-LLVKDONJSA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000824795785 609391810 /nfs/dbraw/zinc/39/18/10/609391810.db2.gz DQPZWHSHYOWWLL-LLVKDONJSA-N -1 3 318.352 2.875 20 0 DFADHM CCc1cc(OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)ccc1Cl ZINC000825700592 609418469 /nfs/dbraw/zinc/41/84/69/609418469.db2.gz LQTPHVPWDRJDQB-UHFFFAOYSA-N -1 3 317.736 2.630 20 0 DFADHM CCc1cc(OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)ccc1Cl ZINC000825700592 609418472 /nfs/dbraw/zinc/41/84/72/609418472.db2.gz LQTPHVPWDRJDQB-UHFFFAOYSA-N -1 3 317.736 2.630 20 0 DFADHM OCc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826510587 609443199 /nfs/dbraw/zinc/44/31/99/609443199.db2.gz ZJAVXIPOKLEXMH-UHFFFAOYSA-N -1 3 312.398 2.792 20 0 DFADHM OCc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826510587 609443202 /nfs/dbraw/zinc/44/32/02/609443202.db2.gz ZJAVXIPOKLEXMH-UHFFFAOYSA-N -1 3 312.398 2.792 20 0 DFADHM CN(CC1CCCCC1)c1nc2ccccn2c1-c1nnn[n-]1 ZINC000825908342 609459146 /nfs/dbraw/zinc/45/91/46/609459146.db2.gz GULIMMRYLXPVRK-UHFFFAOYSA-N -1 3 311.393 2.531 20 0 DFADHM CN(CC1CCCCC1)c1nc2ccccn2c1-c1nn[n-]n1 ZINC000825908342 609459147 /nfs/dbraw/zinc/45/91/47/609459147.db2.gz GULIMMRYLXPVRK-UHFFFAOYSA-N -1 3 311.393 2.531 20 0 DFADHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824507051 609475422 /nfs/dbraw/zinc/47/54/22/609475422.db2.gz SLHIYRFXAGEKHG-OLZOCXBDSA-N -1 3 321.384 2.848 20 0 DFADHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824507051 609475426 /nfs/dbraw/zinc/47/54/26/609475426.db2.gz SLHIYRFXAGEKHG-OLZOCXBDSA-N -1 3 321.384 2.848 20 0 DFADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccncc1 ZINC000824324573 609478708 /nfs/dbraw/zinc/47/87/08/609478708.db2.gz QAXJJHDNBSNWRX-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccncc1 ZINC000824324573 609478710 /nfs/dbraw/zinc/47/87/10/609478710.db2.gz QAXJJHDNBSNWRX-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CCOc1cccc(CNc2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000825649061 609478741 /nfs/dbraw/zinc/47/87/41/609478741.db2.gz KIAROLJVPSSJGC-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM CCOc1cccc(CNc2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000825649061 609478743 /nfs/dbraw/zinc/47/87/43/609478743.db2.gz KIAROLJVPSSJGC-UHFFFAOYSA-N -1 3 310.361 2.581 20 0 DFADHM Fc1cccc(CCNc2ccc(F)c(-c3nnn[n-]3)c2)c1F ZINC000826375127 609479440 /nfs/dbraw/zinc/47/94/40/609479440.db2.gz ASDTVESSQNKVCC-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1cccc(CCNc2ccc(F)c(-c3nn[n-]n3)c2)c1F ZINC000826375127 609479442 /nfs/dbraw/zinc/47/94/42/609479442.db2.gz ASDTVESSQNKVCC-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cnc2cccc(C)n12 ZINC000826278771 609479557 /nfs/dbraw/zinc/47/95/57/609479557.db2.gz RXJJYAXKOXDFJA-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM CCOC(=O)Nc1ccc(NC2CCCC2)cc1-c1nnn[n-]1 ZINC000825553900 609488662 /nfs/dbraw/zinc/48/86/62/609488662.db2.gz YSNMFCLSSNYWEM-UHFFFAOYSA-N -1 3 316.365 2.790 20 0 DFADHM CCOC(=O)Nc1ccc(NC2CCCC2)cc1-c1nn[n-]n1 ZINC000825553900 609488664 /nfs/dbraw/zinc/48/86/64/609488664.db2.gz YSNMFCLSSNYWEM-UHFFFAOYSA-N -1 3 316.365 2.790 20 0 DFADHM CCOc1cccc(CSc2cccc(-c3nnn[n-]3)c2)n1 ZINC000825649112 609489091 /nfs/dbraw/zinc/48/90/91/609489091.db2.gz LUDWVMYUGDCTOJ-UHFFFAOYSA-N -1 3 313.386 2.953 20 0 DFADHM CCOc1cccc(CSc2cccc(-c3nn[n-]n3)c2)n1 ZINC000825649112 609489093 /nfs/dbraw/zinc/48/90/93/609489093.db2.gz LUDWVMYUGDCTOJ-UHFFFAOYSA-N -1 3 313.386 2.953 20 0 DFADHM CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824080164 609496096 /nfs/dbraw/zinc/49/60/96/609496096.db2.gz VMQWWQFUQXFQQR-LBPRGKRZSA-N -1 3 314.393 2.767 20 0 DFADHM CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824080164 609496097 /nfs/dbraw/zinc/49/60/97/609496097.db2.gz VMQWWQFUQXFQQR-LBPRGKRZSA-N -1 3 314.393 2.767 20 0 DFADHM Cc1noc(C2CC2)c1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826277790 609500115 /nfs/dbraw/zinc/50/01/15/609500115.db2.gz GXDXVAZYSZCOMC-UHFFFAOYSA-N -1 3 324.344 2.601 20 0 DFADHM Cc1noc(C2CC2)c1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826277790 609500116 /nfs/dbraw/zinc/50/01/16/609500116.db2.gz GXDXVAZYSZCOMC-UHFFFAOYSA-N -1 3 324.344 2.601 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccccc1 ZINC000826277975 609500142 /nfs/dbraw/zinc/50/01/42/609500142.db2.gz NMWMNPCTHWKONQ-LBPRGKRZSA-N -1 3 307.357 2.917 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccccc1 ZINC000826277975 609500143 /nfs/dbraw/zinc/50/01/43/609500143.db2.gz NMWMNPCTHWKONQ-LBPRGKRZSA-N -1 3 307.357 2.917 20 0 DFADHM C[C@H](OC(=O)[C@H]1CCC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824714456 609503894 /nfs/dbraw/zinc/50/38/94/609503894.db2.gz NEAFJLQSUSTGRE-SUNKGSAMSA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H](OC(=O)[C@H]1CCC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824714456 609503897 /nfs/dbraw/zinc/50/38/97/609503897.db2.gz NEAFJLQSUSTGRE-SUNKGSAMSA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H]1C[C@H](C(=O)Oc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000824876198 609504447 /nfs/dbraw/zinc/50/44/47/609504447.db2.gz RDQNXIVVWKIIOF-PJXYFTJBSA-N -1 3 300.362 2.844 20 0 DFADHM C[C@H]1C[C@H](C(=O)Oc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824876198 609504448 /nfs/dbraw/zinc/50/44/48/609504448.db2.gz RDQNXIVVWKIIOF-PJXYFTJBSA-N -1 3 300.362 2.844 20 0 DFADHM C[C@@H]1CCC[C@@H]1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824926682 609506076 /nfs/dbraw/zinc/50/60/76/609506076.db2.gz LAGCOOBZJPFMNB-KOLCDFICSA-N -1 3 319.796 2.919 20 0 DFADHM C[C@@H]1CCC[C@@H]1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824926682 609506078 /nfs/dbraw/zinc/50/60/78/609506078.db2.gz LAGCOOBZJPFMNB-KOLCDFICSA-N -1 3 319.796 2.919 20 0 DFADHM C[C@@H]1CCC[C@H]1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824926684 609506225 /nfs/dbraw/zinc/50/62/25/609506225.db2.gz LAGCOOBZJPFMNB-MWLCHTKSSA-N -1 3 319.796 2.919 20 0 DFADHM C[C@@H]1CCC[C@H]1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824926684 609506228 /nfs/dbraw/zinc/50/62/28/609506228.db2.gz LAGCOOBZJPFMNB-MWLCHTKSSA-N -1 3 319.796 2.919 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1CCC[C@H]1C ZINC000826253622 609510588 /nfs/dbraw/zinc/51/05/88/609510588.db2.gz XJOYGIDGRUNJQT-QMTHXVAHSA-N -1 3 300.362 2.655 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1CCC[C@H]1C ZINC000826253622 609510590 /nfs/dbraw/zinc/51/05/90/609510590.db2.gz XJOYGIDGRUNJQT-QMTHXVAHSA-N -1 3 300.362 2.655 20 0 DFADHM Cc1c(Cl)cnc(NCc2cccs2)c1-c1nnn[n-]1 ZINC000826240081 609520270 /nfs/dbraw/zinc/52/02/70/609520270.db2.gz AXMIYHXEAAKOLW-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1c(Cl)cnc(NCc2cccs2)c1-c1nn[n-]n1 ZINC000826240081 609520274 /nfs/dbraw/zinc/52/02/74/609520274.db2.gz AXMIYHXEAAKOLW-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ccnc(NCCc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826314379 609523384 /nfs/dbraw/zinc/52/33/84/609523384.db2.gz UARHOJZNAIKPOX-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1ccnc(NCCc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826314379 609523386 /nfs/dbraw/zinc/52/33/86/609523386.db2.gz UARHOJZNAIKPOX-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1c(Cl)cnc(NCCCOCC(C)C)c1-c1nnn[n-]1 ZINC000826239374 609525003 /nfs/dbraw/zinc/52/50/03/609525003.db2.gz FYEBWYYQZBSLGB-UHFFFAOYSA-N -1 3 324.816 2.698 20 0 DFADHM Cc1c(Cl)cnc(NCCCOCC(C)C)c1-c1nn[n-]n1 ZINC000826239374 609525006 /nfs/dbraw/zinc/52/50/06/609525006.db2.gz FYEBWYYQZBSLGB-UHFFFAOYSA-N -1 3 324.816 2.698 20 0 DFADHM Cc1c(Cl)cnc(NC(C2CC2)C2CC2)c1-c1nnn[n-]1 ZINC000826239040 609526638 /nfs/dbraw/zinc/52/66/38/609526638.db2.gz WNQNKWZYCLMXDI-UHFFFAOYSA-N -1 3 304.785 2.824 20 0 DFADHM Cc1c(Cl)cnc(NC(C2CC2)C2CC2)c1-c1nn[n-]n1 ZINC000826239040 609526639 /nfs/dbraw/zinc/52/66/39/609526639.db2.gz WNQNKWZYCLMXDI-UHFFFAOYSA-N -1 3 304.785 2.824 20 0 DFADHM c1cc(-c2nn[n-]n2)ccc1OCCCS[C@H]1CCCOC1 ZINC000826514642 609527372 /nfs/dbraw/zinc/52/73/72/609527372.db2.gz XPXYACLHEQOLKJ-AWEZNQCLSA-N -1 3 320.418 2.548 20 0 DFADHM CCc1ccc(CNc2nccc(C)c2-c2nnn[n-]2)s1 ZINC000825712919 609534552 /nfs/dbraw/zinc/53/45/52/609534552.db2.gz XIGPBCCVQJIOPU-UHFFFAOYSA-N -1 3 300.391 2.806 20 0 DFADHM CCc1ccc(CNc2nccc(C)c2-c2nn[n-]n2)s1 ZINC000825712919 609534554 /nfs/dbraw/zinc/53/45/54/609534554.db2.gz XIGPBCCVQJIOPU-UHFFFAOYSA-N -1 3 300.391 2.806 20 0 DFADHM COc1cccc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826214570 609536849 /nfs/dbraw/zinc/53/68/49/609536849.db2.gz PWINCLDRCVYIMU-LLVKDONJSA-N -1 3 310.361 2.752 20 0 DFADHM COc1cccc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826214570 609536850 /nfs/dbraw/zinc/53/68/50/609536850.db2.gz PWINCLDRCVYIMU-LLVKDONJSA-N -1 3 310.361 2.752 20 0 DFADHM COc1ccc(CCCNc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826192329 609538795 /nfs/dbraw/zinc/53/87/95/609538795.db2.gz JFDYEIFMQUVGSR-UHFFFAOYSA-N -1 3 324.388 2.623 20 0 DFADHM COc1ccc(CCCNc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826192329 609538797 /nfs/dbraw/zinc/53/87/97/609538797.db2.gz JFDYEIFMQUVGSR-UHFFFAOYSA-N -1 3 324.388 2.623 20 0 DFADHM Cc1ccnc(N(C)C[C@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826309399 609546981 /nfs/dbraw/zinc/54/69/81/609546981.db2.gz NWDAPJHXOTZODU-ZDUSSCGKSA-N -1 3 308.389 2.810 20 0 DFADHM Cc1ccnc(N(C)C[C@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826309399 609546983 /nfs/dbraw/zinc/54/69/83/609546983.db2.gz NWDAPJHXOTZODU-ZDUSSCGKSA-N -1 3 308.389 2.810 20 0 DFADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)[C@@H]1CCCOC1 ZINC000824658624 609561723 /nfs/dbraw/zinc/56/17/23/609561723.db2.gz YWKADWQPJBYOPV-BXUZGUMPSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)[C@@H]1CCCOC1 ZINC000824658624 609561724 /nfs/dbraw/zinc/56/17/24/609561724.db2.gz YWKADWQPJBYOPV-BXUZGUMPSA-N -1 3 324.388 2.642 20 0 DFADHM Cc1nc2c(s1)[C@H](Nc1cnccc1-c1nnn[n-]1)CCC2 ZINC000826328297 609565105 /nfs/dbraw/zinc/56/51/05/609565105.db2.gz MMLNMXOMMNJSAN-LLVKDONJSA-N -1 3 313.390 2.516 20 0 DFADHM Cc1nc2c(s1)[C@H](Nc1cnccc1-c1nn[n-]n1)CCC2 ZINC000826328297 609565108 /nfs/dbraw/zinc/56/51/08/609565108.db2.gz MMLNMXOMMNJSAN-LLVKDONJSA-N -1 3 313.390 2.516 20 0 DFADHM Cc1nc2c(s1)[C@H](Nc1ccc(-c3nnn[n-]3)cn1)CCC2 ZINC000826328519 609566218 /nfs/dbraw/zinc/56/62/18/609566218.db2.gz UOHFKINZOBFFCC-LLVKDONJSA-N -1 3 313.390 2.516 20 0 DFADHM Cc1nc2c(s1)[C@H](Nc1ccc(-c3nn[n-]n3)cn1)CCC2 ZINC000826328519 609566220 /nfs/dbraw/zinc/56/62/20/609566220.db2.gz UOHFKINZOBFFCC-LLVKDONJSA-N -1 3 313.390 2.516 20 0 DFADHM Cc1ccc2c(c1)[C@H](Nc1ncccc1-c1nnn[n-]1)[C@@H](C)C2 ZINC000826294163 609570594 /nfs/dbraw/zinc/57/05/94/609570594.db2.gz KOWARBUOBABGNA-XHDPSFHLSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccc2c(c1)[C@H](Nc1ncccc1-c1nn[n-]n1)[C@@H](C)C2 ZINC000826294163 609570595 /nfs/dbraw/zinc/57/05/95/609570595.db2.gz KOWARBUOBABGNA-XHDPSFHLSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)nc1)[C@@H](C)C2 ZINC000826293894 609570839 /nfs/dbraw/zinc/57/08/39/609570839.db2.gz DKKIXXQENWFRIQ-MEDUHNTESA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)nc1)[C@@H](C)C2 ZINC000826293894 609570841 /nfs/dbraw/zinc/57/08/41/609570841.db2.gz DKKIXXQENWFRIQ-MEDUHNTESA-N -1 3 306.373 2.916 20 0 DFADHM c1ccc(OC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000826523046 609573692 /nfs/dbraw/zinc/57/36/92/609573692.db2.gz YKASQLVFXLTENJ-CQSZACIVSA-N -1 3 321.384 2.772 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H]2CCC(F)(F)C2)c1-c1nnn[n-]1 ZINC000826238856 609577278 /nfs/dbraw/zinc/57/72/78/609577278.db2.gz QYOZFKKNRFNMMO-SSDOTTSWSA-N -1 3 314.727 2.823 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H]2CCC(F)(F)C2)c1-c1nn[n-]n1 ZINC000826238856 609577281 /nfs/dbraw/zinc/57/72/81/609577281.db2.gz QYOZFKKNRFNMMO-SSDOTTSWSA-N -1 3 314.727 2.823 20 0 DFADHM CCC1(CC)[C@H](Nc2nccc(C)c2-c2nnn[n-]2)C[C@H]1OC ZINC000825170835 609577698 /nfs/dbraw/zinc/57/76/98/609577698.db2.gz JATXEEMGPQXZCF-VXGBXAGGSA-N -1 3 316.409 2.576 20 0 DFADHM CCC1(CC)[C@H](Nc2nccc(C)c2-c2nn[n-]n2)C[C@H]1OC ZINC000825170835 609577700 /nfs/dbraw/zinc/57/77/00/609577700.db2.gz JATXEEMGPQXZCF-VXGBXAGGSA-N -1 3 316.409 2.576 20 0 DFADHM C(=C\[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1)\c1ccccc1 ZINC000823861449 609578363 /nfs/dbraw/zinc/57/83/63/609578363.db2.gz JCTBVDSCWCGHSN-WOLCWHLNSA-N -1 3 318.384 2.944 20 0 DFADHM C(=C\[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1)\c1ccccc1 ZINC000823861449 609578364 /nfs/dbraw/zinc/57/83/64/609578364.db2.gz JCTBVDSCWCGHSN-WOLCWHLNSA-N -1 3 318.384 2.944 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(NCC[C@H]2CCCCO2)c1 ZINC000826351456 609581549 /nfs/dbraw/zinc/58/15/49/609581549.db2.gz NELCIPGJCHFWGV-LLVKDONJSA-N -1 3 307.785 2.891 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(NCC[C@H]2CCCCO2)c1 ZINC000826351456 609581550 /nfs/dbraw/zinc/58/15/50/609581550.db2.gz NELCIPGJCHFWGV-LLVKDONJSA-N -1 3 307.785 2.891 20 0 DFADHM c1ccc2c(c1)nc(NCC[C@H]1CCCCO1)cc2-c1nnn[n-]1 ZINC000826522599 609582443 /nfs/dbraw/zinc/58/24/43/609582443.db2.gz HQQZHYKKOUYFDH-GFCCVEGCSA-N -1 3 324.388 2.786 20 0 DFADHM c1ccc2c(c1)nc(NCC[C@H]1CCCCO1)cc2-c1nn[n-]n1 ZINC000826522599 609582445 /nfs/dbraw/zinc/58/24/45/609582445.db2.gz HQQZHYKKOUYFDH-GFCCVEGCSA-N -1 3 324.388 2.786 20 0 DFADHM CN(C[C@@H]1CC=CCC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825908365 609594538 /nfs/dbraw/zinc/59/45/38/609594538.db2.gz GZZLSLFRJFAOGQ-SNVBAGLBSA-N -1 3 304.785 2.708 20 0 DFADHM CN(C[C@@H]1CC=CCC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825908365 609594539 /nfs/dbraw/zinc/59/45/39/609594539.db2.gz GZZLSLFRJFAOGQ-SNVBAGLBSA-N -1 3 304.785 2.708 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)C1CCCC1 ZINC000826465188 609615190 /nfs/dbraw/zinc/61/51/90/609615190.db2.gz BQUHBCGYHHOJQA-UHFFFAOYSA-N -1 3 306.753 2.754 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)C1CCCC1 ZINC000826465188 609615192 /nfs/dbraw/zinc/61/51/92/609615192.db2.gz BQUHBCGYHHOJQA-UHFFFAOYSA-N -1 3 306.753 2.754 20 0 DFADHM C/C(=C\C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)C1CC1 ZINC000823943179 609616741 /nfs/dbraw/zinc/61/67/41/609616741.db2.gz OULJNBNWRSCDTP-RMKNXTFCSA-N -1 3 318.764 2.920 20 0 DFADHM C/C(=C\C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)C1CC1 ZINC000823943179 609616742 /nfs/dbraw/zinc/61/67/42/609616742.db2.gz OULJNBNWRSCDTP-RMKNXTFCSA-N -1 3 318.764 2.920 20 0 DFADHM O=C(/C=C/C1CC1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826399648 609617818 /nfs/dbraw/zinc/61/78/18/609617818.db2.gz BGPCNGMDHFDNCE-ZZXKWVIFSA-N -1 3 304.737 2.530 20 0 DFADHM O=C(/C=C/C1CC1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826399648 609617819 /nfs/dbraw/zinc/61/78/19/609617819.db2.gz BGPCNGMDHFDNCE-ZZXKWVIFSA-N -1 3 304.737 2.530 20 0 DFADHM C[C@H]1CC(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000824874261 609640337 /nfs/dbraw/zinc/64/03/37/609640337.db2.gz BNRUPJJPTHTENJ-VXGBXAGGSA-N -1 3 314.389 2.982 20 0 DFADHM C[C@H]1CC(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000824874261 609640338 /nfs/dbraw/zinc/64/03/38/609640338.db2.gz BNRUPJJPTHTENJ-VXGBXAGGSA-N -1 3 314.389 2.982 20 0 DFADHM C[C@H]1C[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000824874256 609640361 /nfs/dbraw/zinc/64/03/61/609640361.db2.gz BNRUPJJPTHTENJ-JYAVWHMHSA-N -1 3 314.389 2.982 20 0 DFADHM C[C@H]1C[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824874256 609640362 /nfs/dbraw/zinc/64/03/62/609640362.db2.gz BNRUPJJPTHTENJ-JYAVWHMHSA-N -1 3 314.389 2.982 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000825061935 609642019 /nfs/dbraw/zinc/64/20/19/609642019.db2.gz ZSMSHYRMVLALFB-VHSXEESVSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000825061935 609642020 /nfs/dbraw/zinc/64/20/20/609642020.db2.gz ZSMSHYRMVLALFB-VHSXEESVSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000825060556 609642176 /nfs/dbraw/zinc/64/21/76/609642176.db2.gz QRYKYRFPCDBYGG-UWVGGRQHSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000825060556 609642178 /nfs/dbraw/zinc/64/21/78/609642178.db2.gz QRYKYRFPCDBYGG-UWVGGRQHSA-N -1 3 306.341 2.731 20 0 DFADHM CSCc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000076937213 185058689 /nfs/dbraw/zinc/05/86/89/185058689.db2.gz MTRBDJQGUBNZSE-CQSZACIVSA-N -1 3 315.460 2.860 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181244110 199270841 /nfs/dbraw/zinc/27/08/41/199270841.db2.gz FIPJGEYDWGKDJH-MRXNPFEDSA-N -1 3 311.381 2.784 20 0 DFADHM CCN1CCC[C@@H]1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000081933177 192341118 /nfs/dbraw/zinc/34/11/18/192341118.db2.gz IAHIQXGYDZQLBI-SNVBAGLBSA-N -1 3 317.216 2.913 20 0 DFADHM Cc1cccc(OCCN(C)Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000459287841 299075783 /nfs/dbraw/zinc/07/57/83/299075783.db2.gz JCZVGYJUANNKQY-UHFFFAOYSA-N -1 3 313.401 2.879 20 0 DFADHM C[C@H]([N-]c1nnc(C(F)F)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000278696879 214334885 /nfs/dbraw/zinc/33/48/85/214334885.db2.gz MNNFBEUUJYJEOR-ZETCQYMHSA-N -1 3 317.317 2.584 20 0 DFADHM CC(C)(O)CO[N-]C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000278712792 214345696 /nfs/dbraw/zinc/34/56/96/214345696.db2.gz SGKZXHPEALSVAB-UWVGGRQHSA-N -1 3 318.200 2.916 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000278749449 214374161 /nfs/dbraw/zinc/37/41/61/214374161.db2.gz JLBAXDBOZILKOX-LLVKDONJSA-N -1 3 301.795 2.736 20 0 DFADHM CC(=O)OCCCSCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000278757115 214379867 /nfs/dbraw/zinc/37/98/67/214379867.db2.gz WVQRBVQZUKDGAP-UHFFFAOYSA-N -1 3 322.382 2.993 20 0 DFADHM O=C(NCc1nc2ccccc2[nH]1)c1cc(=O)c2ccccc2[n-]1 ZINC000324669811 231224717 /nfs/dbraw/zinc/22/47/17/231224717.db2.gz AJBZUVUXUFHXQO-UHFFFAOYSA-N -1 3 318.336 2.747 20 0 DFADHM Cc1nc(S(=O)(=O)CCOC(C)C)[n-]c1Cc1ccccc1 ZINC000083026141 185211536 /nfs/dbraw/zinc/21/15/36/185211536.db2.gz QMMRZSDPDILUCI-UHFFFAOYSA-N -1 3 322.430 2.508 20 0 DFADHM Cc1[n-]c(S(=O)(=O)CCOC(C)C)nc1Cc1ccccc1 ZINC000083026141 185211537 /nfs/dbraw/zinc/21/15/37/185211537.db2.gz QMMRZSDPDILUCI-UHFFFAOYSA-N -1 3 322.430 2.508 20 0 DFADHM CCN(Cc1cnn(C)c1)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459327612 299081428 /nfs/dbraw/zinc/08/14/28/299081428.db2.gz ORLDJLIWNBDRKQ-UHFFFAOYSA-N -1 3 323.400 2.605 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@H](CC(C)C)c2ccccc2)cn1C ZINC000066086534 398357102 /nfs/dbraw/zinc/35/71/02/398357102.db2.gz LKDHSUJEKANLCG-OAHLLOKOSA-N -1 3 321.446 2.794 20 0 DFADHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(C(C)(C)C)cc2)cn1C ZINC000066102396 398357268 /nfs/dbraw/zinc/35/72/68/398357268.db2.gz ATLKXFCSDZHXIO-UHFFFAOYSA-N -1 3 321.446 2.505 20 0 DFADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2nccn3ccnc23)c1 ZINC000081458045 398351339 /nfs/dbraw/zinc/35/13/39/398351339.db2.gz XKYQFLLHNQFZFF-UHFFFAOYSA-N -1 3 310.357 2.985 20 0 DFADHM COc1ccc(C(=O)NCCCCc2nc(C)cs2)c([O-])c1 ZINC000066143903 398359384 /nfs/dbraw/zinc/35/93/84/398359384.db2.gz OUCJMGJIWBGPTA-UHFFFAOYSA-N -1 3 320.414 2.918 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1F ZINC000007306673 398360580 /nfs/dbraw/zinc/36/05/80/398360580.db2.gz IUOXDKLESHQGGQ-ZETCQYMHSA-N -1 3 316.329 2.609 20 0 DFADHM CCc1cc(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)ccc1[O-] ZINC000293068463 529520970 /nfs/dbraw/zinc/52/09/70/529520970.db2.gz XPFMQNDBJTTXTN-CYBMUJFWSA-N -1 3 315.373 2.824 20 0 DFADHM C[C@]1(O)CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459342982 299082841 /nfs/dbraw/zinc/08/28/41/299082841.db2.gz KZHZOQGEDWUCPA-ZDUSSCGKSA-N -1 3 300.196 2.502 20 0 DFADHM O=C(C[C@H]1CCCCO1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000088359285 185246969 /nfs/dbraw/zinc/24/69/69/185246969.db2.gz FRGUUYXSQZACMG-SNVBAGLBSA-N -1 3 304.325 2.509 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC[C@@H](OC)C3)nc2)n1 ZINC000302612062 529564912 /nfs/dbraw/zinc/56/49/12/529564912.db2.gz AUMFWQKUJOYBPJ-UONOGXRCSA-N -1 3 314.389 2.786 20 0 DFADHM CCc1cccc(C(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)c1[O-] ZINC000081808690 398371705 /nfs/dbraw/zinc/37/17/05/398371705.db2.gz CTNBYWWHKGDTGY-XDEPDNQISA-N -1 3 323.458 2.764 20 0 DFADHM O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000010445215 398377471 /nfs/dbraw/zinc/37/74/71/398377471.db2.gz UQPZQHIOCAWKKK-UHFFFAOYSA-N -1 3 324.380 2.883 20 0 DFADHM O=c1cc(CN2CCO[C@H](c3cccs3)C2)nc(C2CC2)[n-]1 ZINC000459355357 299087143 /nfs/dbraw/zinc/08/71/43/299087143.db2.gz BOMZSSCVBORHSS-ZDUSSCGKSA-N -1 3 317.414 2.695 20 0 DFADHM CCc1cc2c(CN3CCCSCC3)cc(=O)oc2cc1[O-] ZINC000089982565 185273851 /nfs/dbraw/zinc/27/38/51/185273851.db2.gz DAMWKVIKQZYFLL-UHFFFAOYSA-N -1 3 319.426 3.000 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1ccccc1-n1nc(C)nc1C ZINC000292747758 529671212 /nfs/dbraw/zinc/67/12/12/529671212.db2.gz RFQSOTBKALHEDJ-NSHDSACASA-N -1 3 317.393 2.983 20 0 DFADHM Cc1ccc(F)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000011610233 398383650 /nfs/dbraw/zinc/38/36/50/398383650.db2.gz DMGFDJWBHGFIOD-UHFFFAOYSA-N -1 3 322.361 2.758 20 0 DFADHM CC(=O)c1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000090370980 185293090 /nfs/dbraw/zinc/29/30/90/185293090.db2.gz PGWFOZDHVYXTME-UHFFFAOYSA-N -1 3 311.263 2.603 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nnc(C)[nH]2)c1 ZINC000331877058 529691197 /nfs/dbraw/zinc/69/11/97/529691197.db2.gz DLPLSJXYSDOXPV-AWEZNQCLSA-N -1 3 314.389 2.749 20 0 DFADHM [O-]c1cccc(CN2CCOC[C@H]2C2CC2)c1Br ZINC000459374455 299090739 /nfs/dbraw/zinc/09/07/39/299090739.db2.gz LQGXYQOPUDCHFD-LBPRGKRZSA-N -1 3 312.207 2.766 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000331818445 529691655 /nfs/dbraw/zinc/69/16/55/529691655.db2.gz LSBFGEDPJLASOX-UKRRQHHQSA-N -1 3 301.386 2.928 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000332019617 529691666 /nfs/dbraw/zinc/69/16/66/529691666.db2.gz XUKZNHLYSYJBEI-RDJZCZTQSA-N -1 3 311.381 2.903 20 0 DFADHM COc1ccc(C(=O)NCc2ccccc2OC(F)F)c([O-])c1 ZINC000012824921 398386705 /nfs/dbraw/zinc/38/67/05/398386705.db2.gz ZBXMJFPWROXXIP-UHFFFAOYSA-N -1 3 323.295 2.932 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000092605128 185328593 /nfs/dbraw/zinc/32/85/93/185328593.db2.gz JHCQPTDAGIAHJP-AWEZNQCLSA-N -1 3 319.401 2.901 20 0 DFADHM CC[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1nc2ccccc2[nH]1 ZINC000066767009 398397236 /nfs/dbraw/zinc/39/72/36/398397236.db2.gz KQCDMSYVOIAZJC-NSHDSACASA-N -1 3 320.356 2.715 20 0 DFADHM CC(C)[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)C(=O)OC(C)(C)C ZINC000459404435 299097483 /nfs/dbraw/zinc/09/74/83/299097483.db2.gz 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C[C@H]1CC[C@@H](C(=O)Nc2ccc(Br)cc2[O-])O1 ZINC000130884044 283064201 /nfs/dbraw/zinc/06/42/01/283064201.db2.gz UBROZOKYFAXNCT-CPCISQLKSA-N -1 3 300.152 2.661 20 0 DFADHM C[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)[C@H]1CCCOC1 ZINC000332513767 235051431 /nfs/dbraw/zinc/05/14/31/235051431.db2.gz WBDOYVDYJKROPV-JSGCOSHPSA-N -1 3 303.402 2.816 20 0 DFADHM C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000332515268 235051985 /nfs/dbraw/zinc/05/19/85/235051985.db2.gz MBIXWTYAMKIOMW-OCCSQVGLSA-N -1 3 303.402 2.504 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2ccc(C)c(NC(C)=O)c2)c1 ZINC000131032053 283069601 /nfs/dbraw/zinc/06/96/01/283069601.db2.gz BXMXVGYOAVJPBY-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM O=c1nc(CN(CCO)CC2CCCCC2)[n-]c2ccsc21 ZINC000332549534 235084334 /nfs/dbraw/zinc/08/43/34/235084334.db2.gz IMLBYZKJZHSWNR-UHFFFAOYSA-N -1 3 321.446 2.772 20 0 DFADHM O=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc2c(c1[O-])CCCC2 ZINC000332576577 235133697 /nfs/dbraw/zinc/13/36/97/235133697.db2.gz 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COCC[C@@H](NCc1cc(Cl)cc(Cl)c1OC)C(=O)[O-] ZINC000417593065 296033690 /nfs/dbraw/zinc/03/36/90/296033690.db2.gz JTTOVCDYSGVUDI-LLVKDONJSA-N -1 3 322.188 2.581 20 0 DFADHM O=C([O-])[C@H](NCc1ccc(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000417597077 296034047 /nfs/dbraw/zinc/03/40/47/296034047.db2.gz SASBVNIMGVFHSE-BXKDBHETSA-N -1 3 304.173 2.573 20 0 DFADHM O=C([O-])[C@@H](NCc1ccc(Cl)cc1Cl)[C@H]1CCOC1 ZINC000417597078 296034082 /nfs/dbraw/zinc/03/40/82/296034082.db2.gz SASBVNIMGVFHSE-CABZTGNLSA-N -1 3 304.173 2.573 20 0 DFADHM CN(CC1(O)CCCC1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193234156 201010570 /nfs/dbraw/zinc/01/05/70/201010570.db2.gz GGVBUAXEHKALSU-UHFFFAOYSA-N -1 3 317.307 2.788 20 0 DFADHM C[C@@H](NCc1c(F)cccc1OC(F)(F)F)[C@H](C)C(=O)[O-] ZINC000417610775 296035473 /nfs/dbraw/zinc/03/54/73/296035473.db2.gz UIMPSEDLJSVVRC-JGVFFNPUSA-N -1 3 309.259 2.923 20 0 DFADHM CCOc1cccc(CN[C@H](CSCC=C(C)C)C(=O)[O-])n1 ZINC000417619992 296036164 /nfs/dbraw/zinc/03/61/64/296036164.db2.gz CFBYHOLKAHDZQJ-CQSZACIVSA-N -1 3 324.446 2.723 20 0 DFADHM COC[C@@H](NCc1cc(-c2ccccc2)ccc1OC)C(=O)[O-] ZINC000417621973 296036307 /nfs/dbraw/zinc/03/63/07/296036307.db2.gz HRXLAOIEIKNCBN-MRXNPFEDSA-N -1 3 315.369 2.551 20 0 DFADHM Cc1cc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)sc1Br ZINC000417615293 296035631 /nfs/dbraw/zinc/03/56/31/296035631.db2.gz GFGMPFAOGPSVRX-BDAKNGLRSA-N -1 3 316.220 2.938 20 0 DFADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000006316436 181329515 /nfs/dbraw/zinc/32/95/15/181329515.db2.gz CEOBNDOUNBLFRU-UHFFFAOYSA-N -1 3 311.309 2.968 20 0 DFADHM C[C@H](CNCc1ccc(F)cc1Br)CC(=O)[O-] ZINC000417616249 296035973 /nfs/dbraw/zinc/03/59/73/296035973.db2.gz GXSAQZCELBKGTE-QMMMGPOBSA-N -1 3 304.159 2.789 20 0 DFADHM CC(C)Oc1ccccc1CNCCc1cccc(C(=O)[O-])n1 ZINC000417640341 296037600 /nfs/dbraw/zinc/03/76/00/296037600.db2.gz XOCIWXLXVRPNGF-UHFFFAOYSA-N -1 3 314.385 2.899 20 0 DFADHM O=C([O-])C1(CNCc2cc(F)ccc2Br)CCC1 ZINC000417626904 296036616 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ZINC000417634470 296037102 /nfs/dbraw/zinc/03/71/02/296037102.db2.gz IMUUBENICSNFJK-UHFFFAOYSA-N -1 3 320.776 2.774 20 0 DFADHM CCOC[C@@H](NCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000417657538 296038632 /nfs/dbraw/zinc/03/86/32/296038632.db2.gz MDJZIRDKJCAWEG-MRXNPFEDSA-N -1 3 307.390 2.587 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@@H](COC)c2ccc(Cl)cc2)n1 ZINC000193684920 201103632 /nfs/dbraw/zinc/10/36/32/201103632.db2.gz QRDQLDCFDKZCGF-AWEZNQCLSA-N -1 3 321.808 2.875 20 0 DFADHM Cc1ccoc1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000292875143 223286326 /nfs/dbraw/zinc/28/63/26/223286326.db2.gz WWSYLGZEWRMACQ-GHMZBOCLSA-N -1 3 304.312 2.619 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCOC1 ZINC000266220302 299330590 /nfs/dbraw/zinc/33/05/90/299330590.db2.gz RZSUBXTXGUBSEW-IUCAKERBSA-N -1 3 324.229 2.697 20 0 DFADHM COC(CCCC(C)(C)CNC(=O)c1cccc([O-])c1)OC ZINC000194517167 201242732 /nfs/dbraw/zinc/24/27/32/201242732.db2.gz WYQDGLHMMNCDPB-UHFFFAOYSA-N -1 3 309.406 2.937 20 0 DFADHM 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CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000341182701 284244946 /nfs/dbraw/zinc/24/49/46/284244946.db2.gz IJXUHBQYFYLNBQ-NOZJJQNGSA-N -1 3 321.801 2.573 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000341192468 284246490 /nfs/dbraw/zinc/24/64/90/284246490.db2.gz SFNSAIRPJGVTTO-DLBZAZTESA-N -1 3 321.804 2.758 20 0 DFADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCO[C@@H](C2CC2)C1 ZINC000621960190 399145834 /nfs/dbraw/zinc/14/58/34/399145834.db2.gz OYPHFAQQCLETDB-CYBMUJFWSA-N -1 3 315.291 2.662 20 0 DFADHM CC(C)(CO)[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000614085864 399148173 /nfs/dbraw/zinc/14/81/73/399148173.db2.gz VAQIMNSBQKFQTG-MRXNPFEDSA-N -1 3 315.369 2.587 20 0 DFADHM CC(C)(C)OC(=O)NCCc1nc(-c2ccc([O-])cc2)no1 ZINC000264621067 204033449 /nfs/dbraw/zinc/03/34/49/204033449.db2.gz MMIONORCHNFYDN-UHFFFAOYSA-N -1 3 305.334 2.509 20 0 DFADHM CC1(C)CN(C(=O)c2cc(F)c[n-]c2=O)CC[C@@H]1C(F)(F)F ZINC000621971652 399150667 /nfs/dbraw/zinc/15/06/67/399150667.db2.gz 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220105386 /nfs/dbraw/zinc/10/53/86/220105386.db2.gz YIENKSLDSLOMNK-UHFFFAOYSA-N -1 3 322.352 2.815 20 0 DFADHM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622105633 399197290 /nfs/dbraw/zinc/19/72/90/399197290.db2.gz BRYOSGUXDBZXKG-NXEZZACHSA-N -1 3 317.307 2.644 20 0 DFADHM O=S(=O)([N-]c1cccnc1Cl)c1cc(F)cc(F)c1 ZINC000016129251 182035157 /nfs/dbraw/zinc/03/51/57/182035157.db2.gz KWHZWLUINNLRKH-UHFFFAOYSA-N -1 3 304.705 2.814 20 0 DFADHM CC[C@H](CS(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1)OC ZINC000420650037 296195848 /nfs/dbraw/zinc/19/58/48/296195848.db2.gz PXUBVNUISQSCRA-GDBMZVCRSA-N -1 3 323.414 2.713 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2ccccc2)c(F)c1 ZINC000288454301 220152637 /nfs/dbraw/zinc/15/26/37/220152637.db2.gz RRYSBSFHGBXGPD-BLLLJJGKSA-N -1 3 323.389 2.535 20 0 DFADHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420672390 296197143 /nfs/dbraw/zinc/19/71/43/296197143.db2.gz FFYQSUUODYEUIQ-QMMMGPOBSA-N -1 3 323.336 2.894 20 0 DFADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420713709 296198387 /nfs/dbraw/zinc/19/83/87/296198387.db2.gz YJKQCUNGEYPQRU-VXNVDRBHSA-N -1 3 309.309 2.504 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](CCF)C2)c1 ZINC000618699656 399212816 /nfs/dbraw/zinc/21/28/16/399212816.db2.gz XXKBJHQMGFEDMB-LBPRGKRZSA-N -1 3 308.353 2.562 20 0 DFADHM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420730461 296199257 /nfs/dbraw/zinc/19/92/57/296199257.db2.gz QFICEZZRCQPZAB-NSHDSACASA-N -1 3 323.336 2.894 20 0 DFADHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000420723614 296198832 /nfs/dbraw/zinc/19/88/32/296198832.db2.gz KBIDYKJNESEZIX-IUCAKERBSA-N -1 3 309.840 2.637 20 0 DFADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@H]2COC[C@H]2C1 ZINC000622179399 399215657 /nfs/dbraw/zinc/21/56/57/399215657.db2.gz ZNXOBGJAYLGDDQ-MWLCHTKSSA-N -1 3 315.291 2.520 20 0 DFADHM Cc1cc([C@@H]2CCCN(C(=O)c3c([O-])cccc3F)C2)n[nH]1 ZINC000282992198 217374630 /nfs/dbraw/zinc/37/46/30/217374630.db2.gz 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/nfs/dbraw/zinc/61/04/87/399610487.db2.gz TYVORIKYGICPAT-SNVBAGLBSA-N -1 3 301.358 2.823 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCCO1)c1cc(Cl)cc(Cl)c1 ZINC000049240273 542442356 /nfs/dbraw/zinc/44/23/56/542442356.db2.gz LBXJAJMZARGEHI-LLVKDONJSA-N -1 3 324.229 2.841 20 0 DFADHM Cn1nccc1C1=CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000294773074 224211596 /nfs/dbraw/zinc/21/15/96/224211596.db2.gz TWCWEVXJYUXZKY-UHFFFAOYSA-N -1 3 305.328 2.693 20 0 DFADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000612265702 399611412 /nfs/dbraw/zinc/61/14/12/399611412.db2.gz CCTOSIUYDFMYOG-RISCZKNCSA-N -1 3 307.415 2.755 20 0 DFADHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)/C=C/c1cncc([O-])c1 ZINC000492445114 299590067 /nfs/dbraw/zinc/59/00/67/299590067.db2.gz RYANYCZNXFGNCR-MQDFFIGUSA-N -1 3 310.353 2.667 20 0 DFADHM Cc1c(C(=O)Nc2ncccc2[O-])cnn1-c1ccc(C)cc1 ZINC000073965057 542466256 /nfs/dbraw/zinc/46/62/56/542466256.db2.gz REKSUNQLRRAQPA-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM O=C(CCc1ccc(F)cc1)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973898 542467135 /nfs/dbraw/zinc/46/71/35/542467135.db2.gz IEKWVLMZCHEYGO-UHFFFAOYSA-N -1 3 300.293 2.775 20 0 DFADHM O=C(CCc1ccc(F)cc1)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973898 542467138 /nfs/dbraw/zinc/46/71/38/542467138.db2.gz IEKWVLMZCHEYGO-UHFFFAOYSA-N -1 3 300.293 2.775 20 0 DFADHM O=C(CCc1ccc(F)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973898 542467142 /nfs/dbraw/zinc/46/71/42/542467142.db2.gz IEKWVLMZCHEYGO-UHFFFAOYSA-N -1 3 300.293 2.775 20 0 DFADHM COc1cccc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)c1[O-] ZINC000120443958 195168140 /nfs/dbraw/zinc/16/81/40/195168140.db2.gz CMICXUWVRFYUJA-BXUZGUMPSA-N -1 3 313.353 2.695 20 0 DFADHM C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1[O-] ZINC000120447238 195169423 /nfs/dbraw/zinc/16/94/23/195169423.db2.gz ZHBPSGFDSUWMOG-SNVBAGLBSA-N -1 3 318.760 2.803 20 0 DFADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cncc(C(F)(F)F)c1 ZINC000347953782 285266820 /nfs/dbraw/zinc/26/68/20/285266820.db2.gz LGQIDDYYNZMDNC-UHFFFAOYSA-N -1 3 323.234 2.731 20 0 DFADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cncc(C(F)(F)F)c1 ZINC000347953782 285266823 /nfs/dbraw/zinc/26/68/23/285266823.db2.gz LGQIDDYYNZMDNC-UHFFFAOYSA-N -1 3 323.234 2.731 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cncc(C(F)(F)F)c1 ZINC000347953782 285266826 /nfs/dbraw/zinc/26/68/26/285266826.db2.gz LGQIDDYYNZMDNC-UHFFFAOYSA-N -1 3 323.234 2.731 20 0 DFADHM Cn1cc(-c2cccc(CNC(=O)c3ccccc3[O-])c2)cn1 ZINC000120514212 195181883 /nfs/dbraw/zinc/18/18/83/195181883.db2.gz XDGQSAAYXXUYAJ-UHFFFAOYSA-N -1 3 307.353 2.723 20 0 DFADHM O=C(CCCC1CCCCC1)Nc1nnc(SCCO)[n-]1 ZINC000120744946 195228826 /nfs/dbraw/zinc/22/88/26/195228826.db2.gz HTYCSQYTFCITCQ-UHFFFAOYSA-N -1 3 312.439 2.578 20 0 DFADHM O=C(CCCC1CCCCC1)Nc1nc(SCCO)n[n-]1 ZINC000120744946 195228828 /nfs/dbraw/zinc/22/88/28/195228828.db2.gz HTYCSQYTFCITCQ-UHFFFAOYSA-N -1 3 312.439 2.578 20 0 DFADHM O=C(CCCC1CCCCC1)Nc1n[n-]c(SCCO)n1 ZINC000120744946 195228830 /nfs/dbraw/zinc/22/88/30/195228830.db2.gz HTYCSQYTFCITCQ-UHFFFAOYSA-N -1 3 312.439 2.578 20 0 DFADHM 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ZINC000351925602 286246583 /nfs/dbraw/zinc/24/65/83/286246583.db2.gz LULZBNMLCAOJGR-OAHLLOKOSA-N -1 3 317.414 2.523 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)C[C@H](C)c2ccccc2)o1 ZINC000352084040 286288190 /nfs/dbraw/zinc/28/81/90/286288190.db2.gz RYJHKPSIQCRBLG-WCQYABFASA-N -1 3 308.403 2.767 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)o1 ZINC000352083885 286288237 /nfs/dbraw/zinc/28/82/37/286288237.db2.gz RDROIWCTDLAQNC-SNVBAGLBSA-N -1 3 314.794 2.984 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[C@@H](C)C2)s1 ZINC000352139023 286302002 /nfs/dbraw/zinc/30/20/02/286302002.db2.gz AWDMWRDVZMIHAC-VDDIYKPWSA-N -1 3 302.465 2.863 20 0 DFADHM Cc1ccoc1C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000451571060 297837652 /nfs/dbraw/zinc/83/76/52/297837652.db2.gz AWXNEYHZWYVSCN-NSHDSACASA-N -1 3 307.362 2.833 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1F ZINC000352353180 286351144 /nfs/dbraw/zinc/35/11/44/286351144.db2.gz UCKDZHRORWXVRQ-UHFFFAOYSA-N -1 3 311.300 2.755 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1 ZINC000352353166 286351204 /nfs/dbraw/zinc/35/12/04/286351204.db2.gz TVTYFAYWVVMRNG-UHFFFAOYSA-N -1 3 311.300 2.755 20 0 DFADHM COc1cc(O)cc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000352458696 286379313 /nfs/dbraw/zinc/37/93/13/286379313.db2.gz NXEHTWFKAPNMPC-UHFFFAOYSA-N -1 3 307.733 2.941 20 0 DFADHM CCc1ccc(C(=O)CCC(=O)NCc2ncccc2[O-])cc1 ZINC000352500099 286389645 /nfs/dbraw/zinc/38/96/45/286389645.db2.gz JNEUYNYBGZHQDF-UHFFFAOYSA-N -1 3 312.369 2.629 20 0 DFADHM O=C(NCc1ncccc1[O-])c1ccc(-n2cccc2)c(F)c1 ZINC000352500553 286389965 /nfs/dbraw/zinc/38/99/65/286389965.db2.gz KLZLQBRFRKWOEX-UHFFFAOYSA-N -1 3 311.316 2.647 20 0 DFADHM CCc1cccc2c(CC(=O)NCc3ncccc3[O-])c[nH]c21 ZINC000352502075 286390192 /nfs/dbraw/zinc/39/01/92/286390192.db2.gz QQTVRZNZYICYNG-UHFFFAOYSA-N -1 3 309.369 2.690 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000352502671 286390307 /nfs/dbraw/zinc/39/03/07/286390307.db2.gz XLNQLCYDTIHYFG-NXEZZACHSA-N -1 3 322.286 2.624 20 0 DFADHM O=C(CSc1ccc(Cl)cc1)NCc1ncccc1[O-] ZINC000352502374 286390318 /nfs/dbraw/zinc/39/03/18/286390318.db2.gz TZPSBMQARKHDGQ-UHFFFAOYSA-N -1 3 308.790 2.849 20 0 DFADHM CSc1ccc(O[C@H](C)C(=O)NCc2ncccc2[O-])cc1 ZINC000352502467 286390435 /nfs/dbraw/zinc/39/04/35/286390435.db2.gz VCKXVMBDGXQSIV-LLVKDONJSA-N -1 3 318.398 2.593 20 0 DFADHM Cc1c(C(=O)NCc2ncccc2[O-])cnn1-c1ccccc1C ZINC000352510296 286393286 /nfs/dbraw/zinc/39/32/86/286393286.db2.gz SIDODBFVZPLEEX-UHFFFAOYSA-N -1 3 322.368 2.520 20 0 DFADHM C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCc1ncccc1[O-] ZINC000352511436 286393442 /nfs/dbraw/zinc/39/34/42/286393442.db2.gz XNUSGCYXYUKKOW-NSHDSACASA-N -1 3 304.777 2.936 20 0 DFADHM CCc1c(C(=O)NCc2ncccc2[O-])cnn1C1CCCC1 ZINC000352514637 286394504 /nfs/dbraw/zinc/39/45/04/286394504.db2.gz BWOFXJONWUOEEI-UHFFFAOYSA-N -1 3 314.389 2.591 20 0 DFADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1ncccc1[O-] ZINC000352516259 286394677 /nfs/dbraw/zinc/39/46/77/286394677.db2.gz KOOFLYRGQQBZAI-UHFFFAOYSA-N -1 3 315.760 2.781 20 0 DFADHM CC(C)c1ccccc1OCCC(=O)NCc1ncccc1[O-] ZINC000352515646 286394774 /nfs/dbraw/zinc/39/47/74/286394774.db2.gz HGTIGZFEPYAYGI-UHFFFAOYSA-N -1 3 314.385 2.996 20 0 DFADHM COc1ccc2nc(C)cc(C(=O)NCc3ncccc3[O-])c2c1 ZINC000352517320 286395188 /nfs/dbraw/zinc/39/51/88/286395188.db2.gz PCXNOZYRKNZJPN-UHFFFAOYSA-N -1 3 323.352 2.582 20 0 DFADHM COc1ccc2cccc(CC(=O)NCc3ncccc3[O-])c2c1 ZINC000352517993 286395325 /nfs/dbraw/zinc/39/53/25/286395325.db2.gz UFFBPBJNPNEXHQ-UHFFFAOYSA-N -1 3 322.364 2.808 20 0 DFADHM O=C(NCc1ncccc1[O-])[C@H]1C[C@H]1c1ccccc1Cl ZINC000352506110 286391843 /nfs/dbraw/zinc/39/18/43/286391843.db2.gz DJXAEPIBLNUXRQ-RYUDHWBXSA-N -1 3 302.761 2.861 20 0 DFADHM O=C(NCc1ncccc1[O-])c1[nH]c2ccc(F)cc2c1Cl ZINC000352506180 286391896 /nfs/dbraw/zinc/39/18/96/286391896.db2.gz FGLFPJODLIMPMI-UHFFFAOYSA-N -1 3 319.723 2.991 20 0 DFADHM COc1ccc(SCCC(=O)NCc2ncccc2[O-])cc1 ZINC000352508816 286392673 /nfs/dbraw/zinc/39/26/73/286392673.db2.gz NEVSJDVDQRJYNH-UHFFFAOYSA-N -1 3 318.398 2.594 20 0 DFADHM O=C(COc1ccc2ccccc2c1)NCc1ncccc1[O-] ZINC000352509658 286392851 /nfs/dbraw/zinc/39/28/51/286392851.db2.gz QICXIWUSYGEGTH-UHFFFAOYSA-N -1 3 308.337 2.636 20 0 DFADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F)C1CC1 ZINC000451985950 297909273 /nfs/dbraw/zinc/90/92/73/297909273.db2.gz IPRUGNXXMLIZMF-AMIZOPFISA-N -1 3 321.801 2.571 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3CCn4cccc4[C@@H]3C)c(=O)c2c1 ZINC000359427535 292301642 /nfs/dbraw/zinc/30/16/42/292301642.db2.gz NDPWRPKNGSFIPP-ZDUSSCGKSA-N -1 3 321.380 2.855 20 0 DFADHM CC1=CCCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000352719016 286450299 /nfs/dbraw/zinc/45/02/99/286450299.db2.gz JPOWTOLIJOSCKV-UHFFFAOYSA-N -1 3 310.191 2.876 20 0 DFADHM CC(C)(C)OC(=O)NCC1(CC(=O)[N-]OCCC2CC2)CC1 ZINC000496429596 300062235 /nfs/dbraw/zinc/06/22/35/300062235.db2.gz JSBJMDMIUDNTAC-UHFFFAOYSA-N -1 3 312.410 2.529 20 0 DFADHM COCCCN(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000281030022 292339964 /nfs/dbraw/zinc/33/99/64/292339964.db2.gz PEMZEEWTBOPTFS-UHFFFAOYSA-N -1 3 311.765 2.620 20 0 DFADHM Cc1ccc(C[C@@H](CO)NCc2c(F)ccc([O-])c2F)cc1 ZINC000353129706 286558200 /nfs/dbraw/zinc/55/82/00/286558200.db2.gz VDDJVUICPHVONG-ZDUSSCGKSA-N -1 3 307.340 2.672 20 0 DFADHM O=C(/C=C/c1c(Cl)nc2ccccn21)[N-]OC/C=C/Cl ZINC000493478995 299787146 /nfs/dbraw/zinc/78/71/46/299787146.db2.gz IEQADNFXLJQCAK-SIZYMYPJSA-N -1 3 312.156 2.801 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000353323209 286612748 /nfs/dbraw/zinc/61/27/48/286612748.db2.gz JRAJHQMZSJKBNX-QWHCGFSZSA-N -1 3 313.467 2.786 20 0 DFADHM CN(C[C@H]1OCCc2ccccc21)C(=O)/C=C\c1cncc([O-])c1 ZINC000493498674 299790250 /nfs/dbraw/zinc/79/02/50/299790250.db2.gz ZGKNLCNTPYVBEO-HPFMTEOYSA-N -1 3 324.380 2.573 20 0 DFADHM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](N)CC(C)C)c1 ZINC000353338321 286617306 /nfs/dbraw/zinc/61/73/06/286617306.db2.gz SPQZQBPQTZTOBA-JTQLQIEISA-N -1 3 315.211 2.775 20 0 DFADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1nc(Cc2ccccc2)no1 ZINC000182568085 158004366 /nfs/dbraw/zinc/00/43/66/158004366.db2.gz KFVBZXDBWNMCPE-GFCCVEGCSA-N -1 3 323.352 2.857 20 0 DFADHM C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc([O-])c1 ZINC000182812603 158007531 /nfs/dbraw/zinc/00/75/31/158007531.db2.gz DKKZCAGSRGWGSA-LLVKDONJSA-N -1 3 301.317 2.923 20 0 DFADHM COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCc3cccc([O-])c32)C1 ZINC000182949434 158010741 /nfs/dbraw/zinc/01/07/41/158010741.db2.gz DRXYFLPSFSBSPH-UONOGXRCSA-N -1 3 317.385 2.651 20 0 DFADHM CCS(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000183069792 158011904 /nfs/dbraw/zinc/01/19/04/158011904.db2.gz OBYIEGUCCIBEEA-UHFFFAOYSA-N -1 3 319.382 2.747 20 0 DFADHM CCN(C(=O)[C@@H](C)[S@@](=O)c1cccc([O-])c1)c1ccccc1 ZINC000184044359 158027291 /nfs/dbraw/zinc/02/72/91/158027291.db2.gz RIMOEQGZHRHCOC-MCMMXHMISA-N -1 3 317.410 2.941 20 0 DFADHM COc1ccc(NC(=O)CC[S@](=O)c2cccc([O-])c2)cc1 ZINC000184040331 158027346 /nfs/dbraw/zinc/02/73/46/158027346.db2.gz KIFPIHVKVWDGIN-QFIPXVFZSA-N -1 3 319.382 2.537 20 0 DFADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2n[nH]c(C3CCC3)n2)s1 ZINC000184612579 158034125 /nfs/dbraw/zinc/03/41/25/158034125.db2.gz FTXVJVKCPXKLOD-MRVPVSSYSA-N -1 3 321.406 2.797 20 0 DFADHM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000184760218 158038354 /nfs/dbraw/zinc/03/83/54/158038354.db2.gz ZTCAVHQCYOAPRC-BDJLRTHQSA-N -1 3 307.357 2.576 20 0 DFADHM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000184760257 158038361 /nfs/dbraw/zinc/03/83/61/158038361.db2.gz ZTCAVHQCYOAPRC-BZNIZROVSA-N -1 3 307.357 2.576 20 0 DFADHM O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1c([O-])cnc2ccccc21 ZINC000185486186 158060013 /nfs/dbraw/zinc/06/00/13/158060013.db2.gz BMJOOHDDJVBGTM-MLGOLLRUSA-N -1 3 312.369 2.628 20 0 DFADHM C[C@H]1C[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000248534553 158180894 /nfs/dbraw/zinc/18/08/94/158180894.db2.gz GFDKSUTWNDBICY-JYAVWHMHSA-N -1 3 313.405 2.555 20 0 DFADHM C[C@H]1C[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000248534553 158180897 /nfs/dbraw/zinc/18/08/97/158180897.db2.gz GFDKSUTWNDBICY-JYAVWHMHSA-N -1 3 313.405 2.555 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@@H](c3ccsc3)C2)n1 ZINC000248755491 158200414 /nfs/dbraw/zinc/20/04/14/158200414.db2.gz PIPNAQSTXMAWBV-DGCLKSJQSA-N -1 3 305.403 2.687 20 0 DFADHM Cc1c([N-]C(=O)C(=O)c2cnn(C)c2)onc1C1CCCCC1 ZINC000291490299 158217614 /nfs/dbraw/zinc/21/76/14/158217614.db2.gz SNCYJZRFUWQNPE-UHFFFAOYSA-N -1 3 316.361 2.586 20 0 DFADHM O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1csc(=O)[n-]1 ZINC000351324335 158227996 /nfs/dbraw/zinc/22/79/96/158227996.db2.gz GPERSYWWXIICQL-SECBINFHSA-N -1 3 316.304 2.925 20 0 DFADHM CC[C@H](CC(F)(F)F)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000355115439 158276660 /nfs/dbraw/zinc/27/66/60/158276660.db2.gz KLNHGGKNGNNRFS-SECBINFHSA-N -1 3 312.291 2.989 20 0 DFADHM Cc1nn(CC(F)F)c(C)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000355122798 158278454 /nfs/dbraw/zinc/27/84/54/158278454.db2.gz IRHLIMYGTVXAKQ-UHFFFAOYSA-N -1 3 313.279 2.862 20 0 DFADHM O=C(CCc1cccc(Br)c1)Nc1ccncc1[O-] ZINC000358342206 158370960 /nfs/dbraw/zinc/37/09/60/158370960.db2.gz SUFPUXNIIJCMAR-UHFFFAOYSA-N -1 3 321.174 2.543 20 0 DFADHM C[C@@H]1CO[C@@H](C)CN1Cc1cc([O-])ccc1Br ZINC000132196605 297156879 /nfs/dbraw/zinc/15/68/79/297156879.db2.gz NCMFPPOIGQRISN-ZJUUUORDSA-N -1 3 300.196 2.764 20 0 DFADHM CC(C)[C@@H](CO)O[N-]C(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000493653938 299804873 /nfs/dbraw/zinc/80/48/73/299804873.db2.gz NTIGQKAKXPAEHG-FMFIFOJESA-N -1 3 317.307 2.783 20 0 DFADHM Cc1ccnc([C@@H]2CCN(C(=O)/C=C\c3cncc([O-])c3)C2)c1 ZINC000493705903 299813306 /nfs/dbraw/zinc/81/33/06/299813306.db2.gz KZVSLKIXXZKNSE-MPNWYJEXSA-N -1 3 309.369 2.520 20 0 DFADHM Cc1nc([N-]C(=O)c2cc(-c3ccccn3)no2)cc(C2CC2)n1 ZINC000430497008 296791395 /nfs/dbraw/zinc/79/13/95/296791395.db2.gz GKPLDOGEFPHBQT-UHFFFAOYSA-N -1 3 321.340 2.965 20 0 DFADHM C[C@H](CCCc1cccnc1)NC(=O)/C=C\c1cncc([O-])c1 ZINC000493715694 299814948 /nfs/dbraw/zinc/81/49/48/299814948.db2.gz BETGVGXJCPWKAU-WBTMPAOCSA-N -1 3 311.385 2.723 20 0 DFADHM COC(=O)c1cc(-c2nc(COc3ccccc3F)no2)c[n-]1 ZINC000431020605 296818140 /nfs/dbraw/zinc/81/81/40/296818140.db2.gz BWNBDTMCLCHETN-UHFFFAOYSA-N -1 3 317.276 2.569 20 0 DFADHM CC(C)(C)C(C)(C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000431720539 296847420 /nfs/dbraw/zinc/84/74/20/296847420.db2.gz YRWBFKWLKFVMPC-UHFFFAOYSA-N -1 3 303.362 2.516 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2ccccc2OC(C)C)c[n-]1 ZINC000431993138 296858545 /nfs/dbraw/zinc/85/85/45/296858545.db2.gz RJJWPPQNJFCPTG-UHFFFAOYSA-N -1 3 302.330 2.841 20 0 DFADHM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432196076 296867185 /nfs/dbraw/zinc/86/71/85/296867185.db2.gz MNMGYSXGHFTSCB-UHFFFAOYSA-N -1 3 314.366 2.637 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(F)c1 ZINC000132758243 196280464 /nfs/dbraw/zinc/28/04/64/196280464.db2.gz QINHSJYCVINKPD-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(F)c1 ZINC000132758243 196280466 /nfs/dbraw/zinc/28/04/66/196280466.db2.gz QINHSJYCVINKPD-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM CN(CCNC(=O)c1ccc([O-])c(Cl)c1)Cc1ccccc1 ZINC000054281628 425889976 /nfs/dbraw/zinc/88/99/76/425889976.db2.gz NNRWYUBMBOHXGH-UHFFFAOYSA-N -1 3 318.804 2.907 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(C)o2)c1 ZINC000055106437 425892156 /nfs/dbraw/zinc/89/21/56/425892156.db2.gz PSWMHODWMLRUGG-UHFFFAOYSA-N -1 3 302.330 2.524 20 0 DFADHM COc1cc(C)c(C)cc1NC(=O)NCc1ncccc1[O-] ZINC000667541644 543626730 /nfs/dbraw/zinc/62/67/30/543626730.db2.gz WXYNNAFWQPFIMB-UHFFFAOYSA-N -1 3 301.346 2.734 20 0 DFADHM O=C(CNC(=O)c1cccc([O-])c1)Nc1ccc2c(c1)CCCC2 ZINC000295622579 225056549 /nfs/dbraw/zinc/05/65/49/225056549.db2.gz JWNQJNGPGLTSSW-UHFFFAOYSA-N -1 3 324.380 2.640 20 0 DFADHM [O-]c1cc(CN2CC[C@H](O)C(F)(F)C2)cc(C(F)(F)F)c1 ZINC000668497596 543814887 /nfs/dbraw/zinc/81/48/87/543814887.db2.gz JNIXJEGINNXJDM-NSHDSACASA-N -1 3 311.250 2.613 20 0 DFADHM Cc1cccnc1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000295932014 225390409 /nfs/dbraw/zinc/39/04/09/225390409.db2.gz GBVIDNMEFUWQGD-UHFFFAOYSA-N -1 3 316.835 2.626 20 0 DFADHM COc1cc(C(=O)N[C@@H](C)c2ccccc2OC)ccc1[O-] ZINC000442646850 297199083 /nfs/dbraw/zinc/19/90/83/297199083.db2.gz IFZOSLLRVYENBS-NSHDSACASA-N -1 3 301.342 2.900 20 0 DFADHM [O-]c1cccc(CN2CCCc3n[nH]cc3C2)c1Br ZINC000668841045 543877577 /nfs/dbraw/zinc/87/75/77/543877577.db2.gz HNNFPIUOBGQZKO-UHFFFAOYSA-N -1 3 322.206 2.826 20 0 DFADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc3[nH][n-]c(=O)c3c2)C1(C)C ZINC000669074464 543904578 /nfs/dbraw/zinc/90/45/78/543904578.db2.gz PAEFBGNYVQYLPW-KGLIPLIRSA-N -1 3 317.389 2.544 20 0 DFADHM O=C(NCc1nc(C2CC2)n[n-]1)Nc1nc2ccsc2s1 ZINC000296685880 226124343 /nfs/dbraw/zinc/12/43/43/226124343.db2.gz CUYFVRHXFQSKHK-UHFFFAOYSA-N -1 3 320.403 2.675 20 0 DFADHM COc1ccc(F)c(CNC[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000669470030 543953408 /nfs/dbraw/zinc/95/34/08/543953408.db2.gz YBGVJJPLQRFHAX-OAHLLOKOSA-N -1 3 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COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000678615593 544703210 /nfs/dbraw/zinc/70/32/10/544703210.db2.gz MOHCYDNMHWVNST-UHFFFAOYSA-N -1 3 323.414 2.853 20 0 DFADHM Cn1nc2c(c1C(=O)N1CCCc3cccc([O-])c31)CCCC2 ZINC000679318895 544831684 /nfs/dbraw/zinc/83/16/84/544831684.db2.gz JYRANYGQEXNCBG-UHFFFAOYSA-N -1 3 311.385 2.598 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)ccc1[O-] ZINC000679407918 544851312 /nfs/dbraw/zinc/85/13/12/544851312.db2.gz XGEFVQITDWKXCG-SNVBAGLBSA-N -1 3 311.341 2.774 20 0 DFADHM CCc1nc([C@@H]2CCCN2C(=O)c2ccc([O-])c(C)c2)no1 ZINC000679411062 544851679 /nfs/dbraw/zinc/85/16/79/544851679.db2.gz UEXHQOHLZOQLMF-LBPRGKRZSA-N -1 3 301.346 2.623 20 0 DFADHM CC(C)CO[N-]C(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494008176 299853288 /nfs/dbraw/zinc/85/32/88/299853288.db2.gz GFXQIMXQGPTNHM-CYBMUJFWSA-N -1 3 314.426 2.727 20 0 DFADHM O=C(NC1CCC(C(F)(F)F)CC1)c1cccc2nn[n-]c21 ZINC000679640676 544887232 /nfs/dbraw/zinc/88/72/32/544887232.db2.gz IEMFINXDBBGXQL-UHFFFAOYSA-N -1 3 312.295 2.809 20 0 DFADHM O=C(NC1CCC(C(F)(F)F)CC1)c1cccc2[n-]nnc21 ZINC000679640676 544887235 /nfs/dbraw/zinc/88/72/35/544887235.db2.gz IEMFINXDBBGXQL-UHFFFAOYSA-N -1 3 312.295 2.809 20 0 DFADHM O=C(NC1CCC(C(F)(F)F)CC1)c1cccc2n[n-]nc21 ZINC000679640676 544887239 /nfs/dbraw/zinc/88/72/39/544887239.db2.gz IEMFINXDBBGXQL-UHFFFAOYSA-N -1 3 312.295 2.809 20 0 DFADHM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000679919527 544925098 /nfs/dbraw/zinc/92/50/98/544925098.db2.gz BFLOVUPRAGFPCN-ZDUSSCGKSA-N -1 3 308.353 2.507 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2ccn(-c3cccc(F)c3)n2)n1 ZINC000680321102 544989037 /nfs/dbraw/zinc/98/90/37/544989037.db2.gz INMYWAUBPPHNLV-UHFFFAOYSA-N -1 3 312.304 2.673 20 0 DFADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1nc(C)ccc1[O-] ZINC000680320694 544989358 /nfs/dbraw/zinc/98/93/58/544989358.db2.gz DNYCRORAQZCDMK-UHFFFAOYSA-N -1 3 302.378 2.916 20 0 DFADHM COCc1nsc([N-]C(=O)c2cc3cccc(OC)c3o2)n1 ZINC000680107538 544959133 /nfs/dbraw/zinc/95/91/33/544959133.db2.gz IJLKGHGHRUYMOC-UHFFFAOYSA-N -1 3 319.342 2.692 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2COc3cc(F)cc(F)c32)c([O-])c1 ZINC000680157245 544965346 /nfs/dbraw/zinc/96/53/46/544965346.db2.gz MPQAXPWTIVXURP-GFCCVEGCSA-N -1 3 305.280 2.842 20 0 DFADHM O=C(c1ccc(Cl)cc1[O-])N1CCN(C2CCCC2)CC1 ZINC000055482165 425893738 /nfs/dbraw/zinc/89/37/38/425893738.db2.gz AYAIHGMGSMBSAF-UHFFFAOYSA-N -1 3 308.809 2.746 20 0 DFADHM O=c1nc(COCC(F)(F)F)[n-]c2sc3c(c21)CCC3 ZINC000055493589 425893932 /nfs/dbraw/zinc/89/39/32/425893932.db2.gz DGAAEPRMYINABV-UHFFFAOYSA-N -1 3 304.293 2.552 20 0 DFADHM C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c2ccccc21 ZINC000065798833 425903267 /nfs/dbraw/zinc/90/32/67/425903267.db2.gz SBMQYOJAQFSOJR-SNVBAGLBSA-N -1 3 321.336 2.726 20 0 DFADHM CC1CCC(N2C[C@H](C(=O)Nc3ccccc3[O-])CC2=O)CC1 ZINC000066927290 425907504 /nfs/dbraw/zinc/90/75/04/425907504.db2.gz KOOFQPDBUCURAO-ROKHWSDSSA-N -1 3 316.401 2.758 20 0 DFADHM Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1C ZINC000068578260 425919063 /nfs/dbraw/zinc/91/90/63/425919063.db2.gz GFGGBPSGVHMEGD-UHFFFAOYSA-N -1 3 309.325 2.831 20 0 DFADHM CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc([O-])cc2F)CC1=O ZINC000124519333 425924101 /nfs/dbraw/zinc/92/41/01/425924101.db2.gz SFALOHTYCUFZNG-WDEREUQCSA-N -1 3 308.353 2.507 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1 ZINC000024577485 267384773 /nfs/dbraw/zinc/38/47/73/267384773.db2.gz GPHAEKFOWUALOP-UHFFFAOYSA-N -1 3 313.382 2.982 20 0 DFADHM C[C@@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccc(F)cc1F ZINC000179391085 267695554 /nfs/dbraw/zinc/69/55/54/267695554.db2.gz CMXPMIQIDMHNGD-JYBNPQIESA-N -1 3 304.296 2.956 20 0 DFADHM Cc1nc(Cc2noc(-c3cc4ccccc4cc3[O-])n2)no1 ZINC000184841132 267783973 /nfs/dbraw/zinc/78/39/73/267783973.db2.gz MRGFIJPLKVICSF-UHFFFAOYSA-N -1 3 308.297 2.878 20 0 DFADHM C[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2c([O-])cccc21 ZINC000186326519 267813648 /nfs/dbraw/zinc/81/36/48/267813648.db2.gz LMXXNFWKUHOJGM-SNVBAGLBSA-N -1 3 323.352 2.716 20 0 DFADHM CCOc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1OC ZINC000011870932 425714197 /nfs/dbraw/zinc/71/41/97/425714197.db2.gz COAKMISJEVUUTK-UHFFFAOYSA-N -1 3 312.329 2.618 20 0 DFADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000026543416 425812627 /nfs/dbraw/zinc/81/26/27/425812627.db2.gz IOWZNLIUMXIGHA-UHFFFAOYSA-N -1 3 307.346 2.870 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H]2CCCOCC2)c([O-])c1 ZINC000190992918 267982330 /nfs/dbraw/zinc/98/23/30/267982330.db2.gz IASPVEIOLMCFRH-ZDUSSCGKSA-N -1 3 307.390 2.870 20 0 DFADHM CC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000037574444 425848559 /nfs/dbraw/zinc/84/85/59/425848559.db2.gz FMCOBGJQEDNPEA-UHFFFAOYSA-N -1 3 310.188 2.665 20 0 DFADHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000038012314 425849895 /nfs/dbraw/zinc/84/98/95/425849895.db2.gz VZSIAAMDGKUGJG-UHFFFAOYSA-N -1 3 320.201 2.503 20 0 DFADHM Cc1csc(C[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000041572456 425852266 /nfs/dbraw/zinc/85/22/66/425852266.db2.gz CKHNQPCFFYCMPX-UHFFFAOYSA-N -1 3 308.837 2.645 20 0 DFADHM Cc1csc(C[N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000043273116 425854716 /nfs/dbraw/zinc/85/47/16/425854716.db2.gz GRBYEGGPJKJELB-UHFFFAOYSA-N -1 3 302.808 2.583 20 0 DFADHM Cc1nnsc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000191507941 268003361 /nfs/dbraw/zinc/00/33/61/268003361.db2.gz VXIOZURJAIRPQY-UHFFFAOYSA-N -1 3 303.265 2.823 20 0 DFADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cccnc3)cc21 ZINC000191759811 268014194 /nfs/dbraw/zinc/01/41/94/268014194.db2.gz HRVSDRGXJXJQPH-UHFFFAOYSA-N -1 3 322.773 2.665 20 0 DFADHM CCO[C@@H](CNC(=O)c1ccc(OC)cc1[O-])c1ccccc1 ZINC000192773590 268047877 /nfs/dbraw/zinc/04/78/77/268047877.db2.gz PKCRYQBABABMIE-KRWDZBQOSA-N -1 3 315.369 2.908 20 0 DFADHM CCO[C@@H](CNC(=O)c1cccc(OC)c1[O-])c1ccccc1 ZINC000192785182 268048302 /nfs/dbraw/zinc/04/83/02/268048302.db2.gz PFGMGPGFTKWIGB-INIZCTEOSA-N -1 3 315.369 2.908 20 0 DFADHM C[C@@H]1COCC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000192826989 268049634 /nfs/dbraw/zinc/04/96/34/268049634.db2.gz BUQLPHNHYPOFJF-PSASIEDQSA-N -1 3 314.179 2.766 20 0 DFADHM O=C(NCc1ccc(OC(F)F)cc1)c1ccc(O)cc1[O-] ZINC000192848022 268050712 /nfs/dbraw/zinc/05/07/12/268050712.db2.gz ISMIANRJHIDRTH-UHFFFAOYSA-N -1 3 309.268 2.629 20 0 DFADHM CN(C)c1ccc(Cl)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000192913630 268053398 /nfs/dbraw/zinc/05/33/98/268053398.db2.gz PEDBTCNOVKWYBO-UHFFFAOYSA-N -1 3 315.764 2.930 20 0 DFADHM CSc1nsc([N-]C(=O)c2ccncc2C(F)(F)F)n1 ZINC000193055298 268057760 /nfs/dbraw/zinc/05/77/60/268057760.db2.gz ZOXVBPXNWVNWMR-UHFFFAOYSA-N -1 3 320.321 2.926 20 0 DFADHM O=C(NCc1nc2ccccc2s1)c1ccc(O)cc1[O-] ZINC000193196924 268061968 /nfs/dbraw/zinc/06/19/68/268061968.db2.gz PJLUNOWPSXJLKE-UHFFFAOYSA-N -1 3 300.339 2.638 20 0 DFADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000193334667 268065581 /nfs/dbraw/zinc/06/55/81/268065581.db2.gz CYCINDVDNDTSLL-QMMMGPOBSA-N -1 3 311.325 2.790 20 0 DFADHM COc1cccc([C@@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000193630390 268074794 /nfs/dbraw/zinc/07/47/94/268074794.db2.gz IWMMOHSYVQAMMH-LLVKDONJSA-N -1 3 323.356 2.618 20 0 DFADHM COc1cccc([C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000193630390 268074796 /nfs/dbraw/zinc/07/47/96/268074796.db2.gz IWMMOHSYVQAMMH-LLVKDONJSA-N -1 3 323.356 2.618 20 0 DFADHM COc1cccc([C@@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000193630390 268074797 /nfs/dbraw/zinc/07/47/97/268074797.db2.gz IWMMOHSYVQAMMH-LLVKDONJSA-N -1 3 323.356 2.618 20 0 DFADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(OC)cc1 ZINC000194084909 268090542 /nfs/dbraw/zinc/09/05/42/268090542.db2.gz TYEMTNDVVIEEHE-HNNXBMFYSA-N -1 3 301.342 2.988 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]CC(C(C)C)C(C)C ZINC000194103086 268091694 /nfs/dbraw/zinc/09/16/94/268091694.db2.gz TUMMZVFGDCFSFX-UHFFFAOYSA-N -1 3 305.465 2.963 20 0 DFADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cnn[n-]1 ZINC000194192125 268094652 /nfs/dbraw/zinc/09/46/52/268094652.db2.gz AVFWMJRRRQICPU-UHFFFAOYSA-N -1 3 321.340 2.618 20 0 DFADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1c[n-]nn1 ZINC000194192125 268094655 /nfs/dbraw/zinc/09/46/55/268094655.db2.gz AVFWMJRRRQICPU-UHFFFAOYSA-N -1 3 321.340 2.618 20 0 DFADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cn[n-]n1 ZINC000194192125 268094657 /nfs/dbraw/zinc/09/46/57/268094657.db2.gz AVFWMJRRRQICPU-UHFFFAOYSA-N -1 3 321.340 2.618 20 0 DFADHM Cc1cc(C)c(-c2csc(NC(=O)c3cnn[n-]3)n2)cc1C ZINC000047816730 425872055 /nfs/dbraw/zinc/87/20/55/425872055.db2.gz DAGLQZRQTIDZKE-UHFFFAOYSA-N -1 3 313.386 3.106 20 0 DFADHM Cc1cc(C)c(-c2csc(NC(=O)c3c[n-]nn3)n2)cc1C ZINC000047816730 425872056 /nfs/dbraw/zinc/87/20/56/425872056.db2.gz DAGLQZRQTIDZKE-UHFFFAOYSA-N -1 3 313.386 3.106 20 0 DFADHM Cc1cc(C)c(-c2csc(NC(=O)c3cn[n-]n3)n2)cc1C ZINC000047816730 425872057 /nfs/dbraw/zinc/87/20/57/425872057.db2.gz DAGLQZRQTIDZKE-UHFFFAOYSA-N -1 3 313.386 3.106 20 0 DFADHM CCn1ncc2ccc(NC(=O)c3ccc4n[n-]nc4c3)cc21 ZINC000194736762 268113890 /nfs/dbraw/zinc/11/38/90/268113890.db2.gz DPHWPGOWJDRMPH-UHFFFAOYSA-N -1 3 306.329 2.580 20 0 DFADHM CNC(=O)c1cc(NC(=O)c2cccc(C)c2[O-])ccc1Cl ZINC000194762022 268115291 /nfs/dbraw/zinc/11/52/91/268115291.db2.gz WZMMKGRGZLKLEA-UHFFFAOYSA-N -1 3 318.760 2.966 20 0 DFADHM Cc1cc([N-]C(=O)c2ccc(CSc3nccn3C)o2)no1 ZINC000047430494 425869578 /nfs/dbraw/zinc/86/95/78/425869578.db2.gz XVZHPGNDJDJPPI-UHFFFAOYSA-N -1 3 318.358 2.854 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1[O-] ZINC000194987832 268123292 /nfs/dbraw/zinc/12/32/92/268123292.db2.gz BEQKJYUXXSJUEX-UONOGXRCSA-N -1 3 301.317 2.826 20 0 DFADHM CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000264307932 268172540 /nfs/dbraw/zinc/17/25/40/268172540.db2.gz YRULJAKGSGEDNP-CQSZACIVSA-N -1 3 313.401 2.937 20 0 DFADHM Cn1cc([C@@H]2CCCN2C(=O)c2c[n-]c3ccccc3c2=O)cn1 ZINC000264013997 268172779 /nfs/dbraw/zinc/17/27/79/268172779.db2.gz GTDBBZFIYKXWKK-INIZCTEOSA-N -1 3 322.368 2.651 20 0 DFADHM C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)N(C)Cc1ccccc1 ZINC000267044232 268179882 /nfs/dbraw/zinc/17/98/82/268179882.db2.gz ARRVJPRJBNFFRD-ZDUSSCGKSA-N -1 3 316.376 2.668 20 0 DFADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccs2)CCO1 ZINC000270605028 268190481 /nfs/dbraw/zinc/19/04/81/268190481.db2.gz GPLFIMHAHUFXEM-GHMZBOCLSA-N -1 3 303.449 2.620 20 0 DFADHM COc1cc(C(=O)NC2(c3ccccc3)CC2)cc(OC)c1[O-] ZINC000270811720 268220371 /nfs/dbraw/zinc/22/03/71/268220371.db2.gz WONCXESPVWVPBI-UHFFFAOYSA-N -1 3 313.353 2.829 20 0 DFADHM CN1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)c2cccnc21 ZINC000271463636 268249545 /nfs/dbraw/zinc/24/95/45/268249545.db2.gz ZDVWCGDSFRZYSU-UHFFFAOYSA-N -1 3 323.396 2.763 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c([O-])c1 ZINC000271440287 268249886 /nfs/dbraw/zinc/24/98/86/268249886.db2.gz QYZLISCONSSRAZ-GDBMZVCRSA-N -1 3 321.442 2.862 20 0 DFADHM CCOc1cc(-c2noc(C[C@@](C)(O)C3CC3)n2)ccc1[O-] ZINC000278113107 268266931 /nfs/dbraw/zinc/26/69/31/268266931.db2.gz QKLLFQFANOTFQK-MRXNPFEDSA-N -1 3 304.346 2.544 20 0 DFADHM CCn1ccnc1[C@H]1OCCC[C@@H]1[N-]c1nc(C(C)C)no1 ZINC000286790960 268275048 /nfs/dbraw/zinc/27/50/48/268275048.db2.gz VPLOKSREHHOQBN-RYUDHWBXSA-N -1 3 305.382 2.742 20 0 DFADHM O=S(=O)([N-]CCc1c(F)cccc1F)c1cccs1 ZINC000048672081 425876971 /nfs/dbraw/zinc/87/69/71/425876971.db2.gz PETYYKURFMVXAJ-UHFFFAOYSA-N -1 3 303.355 2.547 20 0 DFADHM CCc1cc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1[O-] ZINC000291636587 268283962 /nfs/dbraw/zinc/28/39/62/268283962.db2.gz IJXLULQUGAUVSU-GDBMZVCRSA-N -1 3 305.418 2.824 20 0 DFADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000295919475 268297483 /nfs/dbraw/zinc/29/74/83/268297483.db2.gz JCOQODJCXOWHJL-PSASIEDQSA-N -1 3 312.295 2.761 20 0 DFADHM CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc([O-])c(C)c1 ZINC000296262656 268300707 /nfs/dbraw/zinc/30/07/07/268300707.db2.gz YCMLANLNANXZRJ-NSHDSACASA-N -1 3 305.296 2.788 20 0 DFADHM COc1cc(-c2nc(C3CC(F)(F)C3)no2)cc(OC)c1[O-] ZINC000296347107 268303349 /nfs/dbraw/zinc/30/33/49/268303349.db2.gz HGZZJYHHWDZBMS-UHFFFAOYSA-N -1 3 312.272 2.972 20 0 DFADHM Cc1cccc(C(=O)NCCN2c3ccccc3C[C@H]2C)c1[O-] ZINC000302944159 268325389 /nfs/dbraw/zinc/32/53/89/268325389.db2.gz BSWAIHJERWXBLP-CQSZACIVSA-N -1 3 310.397 2.882 20 0 DFADHM O=C([N-]c1nncs1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000048797425 425877371 /nfs/dbraw/zinc/87/73/71/425877371.db2.gz WFXYNCVZHHUDBS-UHFFFAOYSA-N -1 3 305.750 2.630 20 0 DFADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cccc(C)c1F ZINC000313232982 268339513 /nfs/dbraw/zinc/33/95/13/268339513.db2.gz DRGSAXYJQSTDBJ-UHFFFAOYSA-N -1 3 303.399 2.618 20 0 DFADHM Cc1ccc(CN[C@H]2C=C[C@H](C(=O)[O-])C2)cc1Br ZINC000313590809 268340606 /nfs/dbraw/zinc/34/06/06/268340606.db2.gz CDIRVEDYVWWRJV-RYUDHWBXSA-N -1 3 310.191 2.876 20 0 DFADHM C[C@H](CCCO)CNCc1cccc([O-])c1Br ZINC000315191475 268342241 /nfs/dbraw/zinc/34/22/41/268342241.db2.gz ZNFNIWKWVVACTN-SNVBAGLBSA-N -1 3 302.212 2.653 20 0 DFADHM CCC(CC)(CO)NCc1cccc([O-])c1Br ZINC000315028295 268342507 /nfs/dbraw/zinc/34/25/07/268342507.db2.gz MCKCNIVJWRVHCD-UHFFFAOYSA-N -1 3 302.212 2.795 20 0 DFADHM [O-]c1cccc(CN[C@H]2CCCC[C@@H]2O)c1Br ZINC000315410352 268343138 /nfs/dbraw/zinc/34/31/38/268343138.db2.gz RGBCSDIDYCABOB-QWRGUYRKSA-N -1 3 300.196 2.548 20 0 DFADHM [O-]c1cccc(CNC[C@H]2CCCC[C@H]2O)c1Br ZINC000315495049 268343301 /nfs/dbraw/zinc/34/33/01/268343301.db2.gz BQJNCFHZUDZBOE-ZYHUDNBSSA-N -1 3 314.223 2.795 20 0 DFADHM [O-]c1cccc(CN[C@@H](CO)C2CCCC2)c1Br ZINC000315614545 268343751 /nfs/dbraw/zinc/34/37/51/268343751.db2.gz RNURQUIDSDNMMO-LBPRGKRZSA-N -1 3 314.223 2.795 20 0 DFADHM CO[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000315699662 268343786 /nfs/dbraw/zinc/34/37/86/268343786.db2.gz SFSZZDHQELBOGK-NSHDSACASA-N -1 3 300.196 2.766 20 0 DFADHM COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([O-])c1 ZINC000321404909 268348561 /nfs/dbraw/zinc/34/85/61/268348561.db2.gz LTROPCUOPRGPCT-IMJJTQAJSA-N -1 3 319.401 2.557 20 0 DFADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cc(C)cc(C)c2)nc1C ZINC000330553455 268353793 /nfs/dbraw/zinc/35/37/93/268353793.db2.gz DKLPUNAUEUTICB-ZDUSSCGKSA-N -1 3 321.446 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426017750 /nfs/dbraw/zinc/01/77/50/426017750.db2.gz OKXUOBNLHBJUNG-UHFFFAOYSA-N -1 3 323.349 2.885 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H]1COc1ccccc1 ZINC000112935895 426097295 /nfs/dbraw/zinc/09/72/95/426097295.db2.gz DLYFQZQBCWJSSS-CQSZACIVSA-N -1 3 322.368 2.642 20 0 DFADHM O=C(NCCc1ccc(Cl)s1)c1cccc2nn[n-]c21 ZINC000163540892 426103667 /nfs/dbraw/zinc/10/36/67/426103667.db2.gz OFGASJXTQMQPNS-UHFFFAOYSA-N -1 3 306.778 2.645 20 0 DFADHM O=C(NCCc1ccc(Cl)s1)c1cccc2[n-]nnc21 ZINC000163540892 426103669 /nfs/dbraw/zinc/10/36/69/426103669.db2.gz OFGASJXTQMQPNS-UHFFFAOYSA-N -1 3 306.778 2.645 20 0 DFADHM O=C(NCCc1ccc(Cl)s1)c1cccc2n[n-]nc21 ZINC000163540892 426103672 /nfs/dbraw/zinc/10/36/72/426103672.db2.gz OFGASJXTQMQPNS-UHFFFAOYSA-N -1 3 306.778 2.645 20 0 DFADHM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cccc2nn[n-]c21 ZINC000163583234 426104212 /nfs/dbraw/zinc/10/42/12/426104212.db2.gz SNXIFNVNDMTCQJ-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cccc2[n-]nnc21 ZINC000163583234 426104213 /nfs/dbraw/zinc/10/42/13/426104213.db2.gz SNXIFNVNDMTCQJ-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cccc2n[n-]nc21 ZINC000163583234 426104215 /nfs/dbraw/zinc/10/42/15/426104215.db2.gz SNXIFNVNDMTCQJ-UHFFFAOYSA-N -1 3 322.303 2.535 20 0 DFADHM C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163685636 426107332 /nfs/dbraw/zinc/10/73/32/426107332.db2.gz LCRRBXUIIHZDCR-NSHDSACASA-N -1 3 303.337 2.829 20 0 DFADHM CCc1cc2c(CN3CCC[C@H](OC)C3)cc(=O)oc2cc1[O-] ZINC000076347808 426107776 /nfs/dbraw/zinc/10/77/76/426107776.db2.gz PCBJDHUKGZLTKR-AWEZNQCLSA-N -1 3 317.385 2.672 20 0 DFADHM CC[C@@H](C)CS(=O)(=O)[N-][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000128234506 426107743 /nfs/dbraw/zinc/10/77/43/426107743.db2.gz FLGDPTMODRDMIB-NEPJUHHUSA-N -1 3 323.418 2.763 20 0 DFADHM CC[C@@H](C)CS(=O)(=O)[N-][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000113288006 426112223 /nfs/dbraw/zinc/11/22/23/426112223.db2.gz AGHTXWCBJSKRHZ-ZYHUDNBSSA-N -1 3 315.439 2.610 20 0 DFADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ncccc1[O-] ZINC000113413701 426113720 /nfs/dbraw/zinc/11/37/20/426113720.db2.gz SYOXJPQJMHPMIW-MRVPVSSYSA-N -1 3 310.712 2.986 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2)c([O-])c1C ZINC000113441173 426114379 /nfs/dbraw/zinc/11/43/79/426114379.db2.gz RMGZRZZZOBRHGQ-UHFFFAOYSA-N -1 3 312.369 2.768 20 0 DFADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCO[C@H](C)[C@H]3C)c(=O)c2c1 ZINC000165006103 426119782 /nfs/dbraw/zinc/11/97/82/426119782.db2.gz VKKHRBUACYFKMB-CHWSQXEVSA-N -1 3 314.385 2.807 20 0 DFADHM CC(=O)Nc1ccc(F)c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000128587548 426123491 /nfs/dbraw/zinc/12/34/91/426123491.db2.gz UCMWHMHUCULCCG-UHFFFAOYSA-N -1 3 306.268 2.881 20 0 DFADHM O=C(Nc1cccc([O-])c1F)c1ccc(-c2ccco2)[nH]c1=O ZINC000128819498 426134641 /nfs/dbraw/zinc/13/46/41/426134641.db2.gz UCHHRGJYVSATHO-UHFFFAOYSA-N -1 3 314.272 2.732 20 0 DFADHM CCC(CC)[C@H](C(=O)Nc1cccc([O-])c1F)N1CCOCC1 ZINC000128870864 426137225 /nfs/dbraw/zinc/13/72/25/426137225.db2.gz JCDGGAZORHDNKA-MRXNPFEDSA-N -1 3 324.396 2.607 20 0 DFADHM COc1cccc(C(=O)NC[C@@H](C)c2c(C)noc2C)c1[O-] ZINC000162772759 426075792 /nfs/dbraw/zinc/07/57/92/426075792.db2.gz MKNXTGIQEXRTSH-SECBINFHSA-N -1 3 304.346 2.539 20 0 DFADHM COc1ccc(/C=C/C(=O)[N-]OCCC(F)(F)F)c(OC)c1 ZINC000162881237 426080829 /nfs/dbraw/zinc/08/08/29/426080829.db2.gz UDDRHBODZPFNFJ-GQCTYLIASA-N -1 3 319.279 2.717 20 0 DFADHM O=C(CCCOc1cccc(F)c1)[N-]OCCC(F)(F)F ZINC000162955962 426083870 /nfs/dbraw/zinc/08/38/70/426083870.db2.gz CSBPJBZBSATOEN-UHFFFAOYSA-N -1 3 309.259 2.985 20 0 DFADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]c1nncn1C ZINC000162996889 426085735 /nfs/dbraw/zinc/08/57/35/426085735.db2.gz FSUGCGYFQKTUPD-ZETCQYMHSA-N -1 3 315.160 2.528 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)c2ccc(C(N)=O)s2)c1[O-] ZINC000116980502 426204183 /nfs/dbraw/zinc/20/41/83/426204183.db2.gz QOQAQTQKGUECIY-UHFFFAOYSA-N -1 3 310.762 2.767 20 0 DFADHM COc1ccc(CCCNC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000079849334 426204456 /nfs/dbraw/zinc/20/44/56/426204456.db2.gz SXXJTQPLZFCERT-UHFFFAOYSA-N -1 3 315.369 2.772 20 0 DFADHM CCCCS(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000171713101 426206789 /nfs/dbraw/zinc/20/67/89/426206789.db2.gz IKRPSJZDSJAQEU-CYBMUJFWSA-N -1 3 310.444 2.952 20 0 DFADHM CCC(CC)CN(CC)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000114725756 426143478 /nfs/dbraw/zinc/14/34/78/426143478.db2.gz RRSRKOOGGNPPDH-UHFFFAOYSA-N -1 3 323.462 2.767 20 0 DFADHM CCCc1ccc(CSc2nnc3[n-]c(=O)c(C)nn32)cc1 ZINC000114860682 426148085 /nfs/dbraw/zinc/14/80/85/426148085.db2.gz ZYKZHHUURWNBNE-UHFFFAOYSA-N -1 3 315.402 2.778 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H](n2cccn2)C1 ZINC000130276019 426153107 /nfs/dbraw/zinc/15/31/07/426153107.db2.gz WSLBGAYRMBTDAT-CYBMUJFWSA-N -1 3 319.792 2.648 20 0 DFADHM O=C(C[C@H]1OCCc2ccccc21)Nc1nnc(-c2ccco2)[n-]1 ZINC000115361202 426162344 /nfs/dbraw/zinc/16/23/44/426162344.db2.gz HETWVLJEOXDHDO-CQSZACIVSA-N -1 3 324.340 2.707 20 0 DFADHM O=C(C[C@H]1OCCc2ccccc21)Nc1nc(-c2ccco2)n[n-]1 ZINC000115361202 426162346 /nfs/dbraw/zinc/16/23/46/426162346.db2.gz HETWVLJEOXDHDO-CQSZACIVSA-N -1 3 324.340 2.707 20 0 DFADHM O=C(C[C@H]1OCCc2ccccc21)Nc1n[n-]c(-c2ccco2)n1 ZINC000115361202 426162347 /nfs/dbraw/zinc/16/23/47/426162347.db2.gz HETWVLJEOXDHDO-CQSZACIVSA-N -1 3 324.340 2.707 20 0 DFADHM Cc1c(CNC(=O)c2ccc3n[n-]nc3c2)oc2ccccc12 ZINC000115395695 426163458 /nfs/dbraw/zinc/16/34/58/426163458.db2.gz QQDMDWRJGUKUPF-UHFFFAOYSA-N -1 3 306.325 2.943 20 0 DFADHM Cc1cccc(C(=O)NC[C@@H](c2cccs2)N(C)C)c1[O-] ZINC000078345981 426165865 /nfs/dbraw/zinc/16/58/65/426165865.db2.gz XRTLBAAZSPNMMN-ZDUSSCGKSA-N -1 3 304.415 2.795 20 0 DFADHM CC(C)c1nc(CSc2n[n-]c(-c3ccccn3)n2)no1 ZINC000117112183 426205714 /nfs/dbraw/zinc/20/57/14/426205714.db2.gz NOVKCKDHPDXPQH-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM COc1cc(F)c([N-]S(=O)(=O)c2ccccc2)cc1OC ZINC000078551835 426174674 /nfs/dbraw/zinc/17/46/74/426174674.db2.gz ZLLNYCAXQNLFOC-UHFFFAOYSA-N -1 3 311.334 2.644 20 0 DFADHM COc1cccc(C(=O)N(C)CCOc2ccccc2F)c1[O-] ZINC000078572628 426176027 /nfs/dbraw/zinc/17/60/27/426176027.db2.gz HXYSGQTUZPSCQW-UHFFFAOYSA-N -1 3 319.332 2.691 20 0 DFADHM COc1cccc([C@@H](C[N-]C(=O)C(F)(F)F)N2CCCC2)c1 ZINC000171234367 426177208 /nfs/dbraw/zinc/17/72/08/426177208.db2.gz HSUKCJQHVQUKST-CYBMUJFWSA-N -1 3 316.323 2.511 20 0 DFADHM CC(C)CCNC(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117115778 426206220 /nfs/dbraw/zinc/20/62/20/426206220.db2.gz DGUSCBHOYUVDKW-NSHDSACASA-N -1 3 319.434 2.510 20 0 DFADHM COc1cccc(C(=O)NCc2ccc(-n3cccn3)cc2)c1[O-] ZINC000078901410 426187888 /nfs/dbraw/zinc/18/78/88/426187888.db2.gz VNYNIXXCSPLTBH-UHFFFAOYSA-N -1 3 323.352 2.517 20 0 DFADHM COc1cccc(C(=O)Nc2cc(F)c(OC)c(F)c2)c1[O-] ZINC000079225340 426190273 /nfs/dbraw/zinc/19/02/73/426190273.db2.gz MHXJFJIDYAVHBS-UHFFFAOYSA-N -1 3 309.268 2.940 20 0 DFADHM O=S(=O)([N-][C@H]1CCOC2(CCCCC2)C1)c1cccs1 ZINC000134662259 426192271 /nfs/dbraw/zinc/19/22/71/426192271.db2.gz KGCLWJSUDHCNOI-LBPRGKRZSA-N -1 3 315.460 2.908 20 0 DFADHM Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)c([O-])c1 ZINC000116644567 426193701 /nfs/dbraw/zinc/19/37/01/426193701.db2.gz GOVBVJYZFOXUOH-INIZCTEOSA-N -1 3 324.380 2.578 20 0 DFADHM O=S(=O)([N-]Cc1ccc[nH]1)c1cc(Cl)ccc1Cl ZINC000081183558 426219392 /nfs/dbraw/zinc/21/93/92/426219392.db2.gz TUZIXBHIDMSGGS-UHFFFAOYSA-N -1 3 305.186 2.800 20 0 DFADHM Cc1nc(C(C)(C)NC(=O)c2ccc3n[n-]nc3c2)sc1C ZINC000135633579 426225514 /nfs/dbraw/zinc/22/55/14/426225514.db2.gz SORLVBVXGVTOHX-UHFFFAOYSA-N -1 3 315.402 2.696 20 0 DFADHM CC[C@@H](C)c1cc(C(=O)[N-]c2nc3c(s2)COCC3)on1 ZINC000172829280 426231779 /nfs/dbraw/zinc/23/17/79/426231779.db2.gz JDDJTYVTUSEPQJ-MRVPVSSYSA-N -1 3 307.375 2.970 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CSc2ccccc21 ZINC000118318622 426232603 /nfs/dbraw/zinc/23/26/03/426232603.db2.gz LVUIBTVVJNPQMA-SSDOTTSWSA-N -1 3 314.292 2.652 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CSc2ccccc21 ZINC000118318622 426232606 /nfs/dbraw/zinc/23/26/06/426232606.db2.gz LVUIBTVVJNPQMA-SSDOTTSWSA-N -1 3 314.292 2.652 20 0 DFADHM Cc1nc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)sc1C ZINC000173224634 426236176 /nfs/dbraw/zinc/23/61/76/426236176.db2.gz AJHDVXQQHVJJPH-UHFFFAOYSA-N -1 3 318.370 2.517 20 0 DFADHM CC(C)CC(C)(C)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000084631557 426241715 /nfs/dbraw/zinc/24/17/15/426241715.db2.gz DSRPIWSTXDURJG-UHFFFAOYSA-N -1 3 320.433 2.701 20 0 DFADHM CC(C)(C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1 ZINC000136991192 426249130 /nfs/dbraw/zinc/24/91/30/426249130.db2.gz LTOHONHMWHIKQY-UHFFFAOYSA-N -1 3 321.384 2.707 20 0 DFADHM CC(C)(C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000136991192 426249133 /nfs/dbraw/zinc/24/91/33/426249133.db2.gz LTOHONHMWHIKQY-UHFFFAOYSA-N -1 3 321.384 2.707 20 0 DFADHM COc1ccc(Cl)cc1NCCC(=O)Nc1ncccc1[O-] ZINC000175023901 426274615 /nfs/dbraw/zinc/27/46/15/426274615.db2.gz PEHYCXADHLXWAN-UHFFFAOYSA-N -1 3 321.764 2.890 20 0 DFADHM Cc1cnn(CCC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000085586760 426252885 /nfs/dbraw/zinc/25/28/85/426252885.db2.gz LAMGYRQACLILQP-UHFFFAOYSA-N -1 3 324.178 2.688 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2ccn(C3CCCC3)n2)c1 ZINC000119004190 426255367 /nfs/dbraw/zinc/25/53/67/426255367.db2.gz HLQQGLNTHGARQI-UHFFFAOYSA-N -1 3 315.373 2.642 20 0 DFADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000174429462 426256160 /nfs/dbraw/zinc/25/61/60/426256160.db2.gz IRWOMHWTLHMXGK-VXGBXAGGSA-N -1 3 304.419 2.704 20 0 DFADHM CCCOc1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000150842664 426263339 /nfs/dbraw/zinc/26/33/39/426263339.db2.gz OXHYJFXYBNHBAS-HNNXBMFYSA-N -1 3 313.419 2.786 20 0 DFADHM Cc1ccc([C@@H](C)N(C)C(=O)c2cnc3c(cnn3C)c2[O-])cc1 ZINC000119144923 426265918 /nfs/dbraw/zinc/26/59/18/426265918.db2.gz ANMQLXJDVXUGDX-GFCCVEGCSA-N -1 3 324.384 2.816 20 0 DFADHM C[C@H]1Oc2c(cccc2C(=O)Nc2cc(F)ccc2[O-])NC1=O ZINC000174882660 426267058 /nfs/dbraw/zinc/26/70/58/426267058.db2.gz DTYDAIBDOUZGCZ-MRVPVSSYSA-N -1 3 316.288 2.503 20 0 DFADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@@H]1CC(C)(C)C)c2[O-] ZINC000119191469 426269601 /nfs/dbraw/zinc/26/96/01/426269601.db2.gz QUEZDUXAZGYMEO-LLVKDONJSA-N -1 3 316.405 2.715 20 0 DFADHM CCN(C(=O)c1ccccc1[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000117145871 426207353 /nfs/dbraw/zinc/20/73/53/426207353.db2.gz TZDMBAKQHVRGCK-INIZCTEOSA-N -1 3 324.380 2.660 20 0 DFADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c1 ZINC000171772874 426210265 /nfs/dbraw/zinc/21/02/65/426210265.db2.gz QYELAMZKPJFOKI-UHFFFAOYSA-N -1 3 320.414 2.700 20 0 DFADHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H](C)c1cccnc1)c2=O ZINC000135283507 426212476 /nfs/dbraw/zinc/21/24/76/426212476.db2.gz DZIGXIOCZCZOKI-NSHDSACASA-N -1 3 323.352 2.835 20 0 DFADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(C(F)(F)F)cc1 ZINC000171805540 426212486 /nfs/dbraw/zinc/21/24/86/426212486.db2.gz SMPQMVVBAKLMTF-LLVKDONJSA-N -1 3 309.309 2.626 20 0 DFADHM CCc1onc(C)c1[N-]C(=O)c1cn(-c2ccc(C)cc2)nn1 ZINC000089393591 426288139 /nfs/dbraw/zinc/28/81/39/426288139.db2.gz OZYMGNFWDMFLBU-UHFFFAOYSA-N -1 3 311.345 2.687 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000175226360 426288991 /nfs/dbraw/zinc/28/89/91/426288991.db2.gz HKKCMKUVGZEIGD-HZMBPMFUSA-N -1 3 322.290 2.666 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000175226360 426288992 /nfs/dbraw/zinc/28/89/92/426288992.db2.gz HKKCMKUVGZEIGD-HZMBPMFUSA-N -1 3 322.290 2.666 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1F ZINC000151487242 426298670 /nfs/dbraw/zinc/29/86/70/426298670.db2.gz WANKIPZOJKTQTO-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1F ZINC000151487242 426298673 /nfs/dbraw/zinc/29/86/73/426298673.db2.gz WANKIPZOJKTQTO-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM Cc1ccc(CCC(=O)Nc2cc(-c3nccn3C)[n-]n2)c(C)c1 ZINC000119576234 426298788 /nfs/dbraw/zinc/29/87/88/426298788.db2.gz KCFVCKHSCGHIEA-UHFFFAOYSA-N -1 3 323.400 2.998 20 0 DFADHM Cc1ccc(CCC(=O)Nc2cc(-c3nccn3C)n[n-]2)c(C)c1 ZINC000119576234 426298792 /nfs/dbraw/zinc/29/87/92/426298792.db2.gz KCFVCKHSCGHIEA-UHFFFAOYSA-N -1 3 323.400 2.998 20 0 DFADHM C[C@]1(C(=O)Nc2ccc(Br)cc2[O-])CCCO1 ZINC000119829149 426302817 /nfs/dbraw/zinc/30/28/17/426302817.db2.gz ZYSZFCDDJXMUDU-GFCCVEGCSA-N -1 3 300.152 2.662 20 0 DFADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000175451893 426306332 /nfs/dbraw/zinc/30/63/32/426306332.db2.gz VINXGAHCDAPJLH-JOCHJYFZSA-N -1 3 317.410 2.710 20 0 DFADHM Cc1cnc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)o1 ZINC000175511154 426310392 /nfs/dbraw/zinc/31/03/92/426310392.db2.gz GVPUWKTUMAOEOV-UHFFFAOYSA-N -1 3 315.373 2.539 20 0 DFADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc(O)cc1[O-] ZINC000151765043 426311163 /nfs/dbraw/zinc/31/11/63/426311163.db2.gz IAIAXDYKYHFUCX-HUUCEWRRSA-N -1 3 307.390 2.764 20 0 DFADHM C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1 ZINC000120653923 426313627 /nfs/dbraw/zinc/31/36/27/426313627.db2.gz IRBPOBLRFQUBAQ-OCCSQVGLSA-N -1 3 313.405 2.945 20 0 DFADHM C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1 ZINC000120653923 426313628 /nfs/dbraw/zinc/31/36/28/426313628.db2.gz IRBPOBLRFQUBAQ-OCCSQVGLSA-N -1 3 313.405 2.945 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120796955 426314841 /nfs/dbraw/zinc/31/48/41/426314841.db2.gz XDRRRNLFXCEZKF-GFCCVEGCSA-N -1 3 301.394 2.801 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120796955 426314845 /nfs/dbraw/zinc/31/48/45/426314845.db2.gz XDRRRNLFXCEZKF-GFCCVEGCSA-N -1 3 301.394 2.801 20 0 DFADHM CC[C@@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)C(C)C ZINC000120770781 426315126 /nfs/dbraw/zinc/31/51/26/426315126.db2.gz FOFCVJMBCWADGF-ZDUSSCGKSA-N -1 3 301.394 2.801 20 0 DFADHM CC[C@@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)C(C)C ZINC000120770781 426315128 /nfs/dbraw/zinc/31/51/28/426315128.db2.gz FOFCVJMBCWADGF-ZDUSSCGKSA-N -1 3 301.394 2.801 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000121012410 426318903 /nfs/dbraw/zinc/31/89/03/426318903.db2.gz VMBSEDONZKHLGH-QGZVFWFLSA-N -1 3 310.397 2.830 20 0 DFADHM Cc1ccc([C@H](CNC(=O)c2c([O-])cccc2F)N(C)C)cc1 ZINC000121139511 426321602 /nfs/dbraw/zinc/32/16/02/426321602.db2.gz KASLRECXEFTPMN-HNNXBMFYSA-N -1 3 316.376 2.872 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)C1CC1 ZINC000121208501 426324028 /nfs/dbraw/zinc/32/40/28/426324028.db2.gz PGNAEYKRVVQTAO-INIZCTEOSA-N -1 3 319.368 2.999 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)C1CC1 ZINC000121208501 426324031 /nfs/dbraw/zinc/32/40/31/426324031.db2.gz PGNAEYKRVVQTAO-INIZCTEOSA-N -1 3 319.368 2.999 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000152096670 426326816 /nfs/dbraw/zinc/32/68/16/426326816.db2.gz OUVUWCHFIUFHBL-ZDUSSCGKSA-N -1 3 314.389 2.680 20 0 DFADHM CCCCSCCC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119284573 426275749 /nfs/dbraw/zinc/27/57/49/426275749.db2.gz GRMLVMTYTBEFJA-UHFFFAOYSA-N -1 3 307.423 2.672 20 0 DFADHM CCCCSCCC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119284573 426275751 /nfs/dbraw/zinc/27/57/51/426275751.db2.gz GRMLVMTYTBEFJA-UHFFFAOYSA-N -1 3 307.423 2.672 20 0 DFADHM O=S(=O)([N-][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)cc(Cl)c1 ZINC000151081661 426276433 /nfs/dbraw/zinc/27/64/33/426276433.db2.gz MHPLTBBVGUCUMZ-JLLWLGSASA-N -1 3 322.213 2.592 20 0 DFADHM COc1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000088546993 426277583 /nfs/dbraw/zinc/27/75/83/426277583.db2.gz APGVLYYJIRKWCG-UHFFFAOYSA-N -1 3 317.288 2.913 20 0 DFADHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)sc1C ZINC000119422885 426287352 /nfs/dbraw/zinc/28/73/52/426287352.db2.gz USNSJMNDWPSBJZ-UHFFFAOYSA-N -1 3 301.375 2.741 20 0 DFADHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)sc1C ZINC000119422885 426287354 /nfs/dbraw/zinc/28/73/54/426287354.db2.gz USNSJMNDWPSBJZ-UHFFFAOYSA-N -1 3 301.375 2.741 20 0 DFADHM Cc1cccc(OC[C@@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000092119811 426346911 /nfs/dbraw/zinc/34/69/11/426346911.db2.gz WBFRFAFCEGUYFJ-GFCCVEGCSA-N -1 3 301.342 2.604 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1ccc2ccccc2c1 ZINC000176051638 426348251 /nfs/dbraw/zinc/34/82/51/426348251.db2.gz VVIFNZXMAMDYAP-UHFFFAOYSA-N -1 3 309.325 2.531 20 0 DFADHM Cc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c([O-])c1 ZINC000092574809 426350746 /nfs/dbraw/zinc/35/07/46/426350746.db2.gz XEOVCTCKNBKQSV-AWEZNQCLSA-N -1 3 324.380 2.515 20 0 DFADHM COc1ccc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)c([O-])c1 ZINC000092602231 426351614 /nfs/dbraw/zinc/35/16/14/426351614.db2.gz ZXTHLGZDUIGLMU-NSHDSACASA-N -1 3 301.342 2.940 20 0 DFADHM Cc1cccc(C(NC(=O)c2c[n-]nn2)c2cccc(C)c2)c1 ZINC000176153560 426355691 /nfs/dbraw/zinc/35/56/91/426355691.db2.gz GHDOKLSKRVHDTA-UHFFFAOYSA-N -1 3 306.369 2.941 20 0 DFADHM Cc1cccc(C(NC(=O)c2cnn[n-]2)c2cccc(C)c2)c1 ZINC000176153560 426355693 /nfs/dbraw/zinc/35/56/93/426355693.db2.gz GHDOKLSKRVHDTA-UHFFFAOYSA-N -1 3 306.369 2.941 20 0 DFADHM Cc1cccc(C(NC(=O)c2cn[n-]n2)c2cccc(C)c2)c1 ZINC000176153560 426355694 /nfs/dbraw/zinc/35/56/94/426355694.db2.gz GHDOKLSKRVHDTA-UHFFFAOYSA-N -1 3 306.369 2.941 20 0 DFADHM CN(C)C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000093907714 426359725 /nfs/dbraw/zinc/35/97/25/426359725.db2.gz YLROCUKWLAQYCC-HNNXBMFYSA-N -1 3 302.349 2.564 20 0 DFADHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000122149028 426361343 /nfs/dbraw/zinc/36/13/43/426361343.db2.gz WPYSQMZDBZPTTO-UHFFFAOYSA-N -1 3 319.448 2.782 20 0 DFADHM Cc1cccc(C(=O)N2CCN(C)CC23CCCCC3)c1[O-] ZINC000176244057 426363108 /nfs/dbraw/zinc/36/31/08/426363108.db2.gz ZPQXJBYJVKVCAL-UHFFFAOYSA-N -1 3 302.418 2.791 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000152996279 426364471 /nfs/dbraw/zinc/36/44/71/426364471.db2.gz BVUUKYITKPLOJR-BLLLJJGKSA-N -1 3 319.430 2.676 20 0 DFADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000122332057 426370784 /nfs/dbraw/zinc/37/07/84/426370784.db2.gz LOLWHFVLLAITLP-JTQLQIEISA-N -1 3 321.389 2.755 20 0 DFADHM CCCC[C@H](NC(=O)NCC)C(=O)Nc1ccc(C)cc1[O-] ZINC000122580271 426382415 /nfs/dbraw/zinc/38/24/15/426382415.db2.gz SBLQIQKQZJPMIN-ZDUSSCGKSA-N -1 3 307.394 2.517 20 0 DFADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000176467036 426385623 /nfs/dbraw/zinc/38/56/23/426385623.db2.gz BJGHUURZXFJLDI-UHFFFAOYSA-N -1 3 319.398 2.780 20 0 DFADHM CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000153487986 426388579 /nfs/dbraw/zinc/38/85/79/426388579.db2.gz UMKPWELIBGDLFR-JTQLQIEISA-N -1 3 310.781 2.633 20 0 DFADHM CC[C@@H](C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)on1 ZINC000153538075 426390703 /nfs/dbraw/zinc/39/07/03/426390703.db2.gz UMPNRYASNDDDSP-SECBINFHSA-N -1 3 312.333 2.621 20 0 DFADHM CC[C@@H](C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000153538075 426390705 /nfs/dbraw/zinc/39/07/05/426390705.db2.gz UMPNRYASNDDDSP-SECBINFHSA-N -1 3 312.333 2.621 20 0 DFADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000176529198 426391014 /nfs/dbraw/zinc/39/10/14/426391014.db2.gz SMLFEJGHMKGZHO-UHFFFAOYSA-N -1 3 322.777 2.721 20 0 DFADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000176529198 426391017 /nfs/dbraw/zinc/39/10/17/426391017.db2.gz SMLFEJGHMKGZHO-UHFFFAOYSA-N -1 3 322.777 2.721 20 0 DFADHM CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153567358 426392257 /nfs/dbraw/zinc/39/22/57/426392257.db2.gz MLPBSEWFIAIMKK-GFCCVEGCSA-N -1 3 310.781 2.775 20 0 DFADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000123061390 426411700 /nfs/dbraw/zinc/41/17/00/426411700.db2.gz LGYKQUQLKDNNGY-UKRRQHHQSA-N -1 3 322.430 2.755 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)s1 ZINC000176831563 426418158 /nfs/dbraw/zinc/41/81/58/426418158.db2.gz DXRRPQYTFOEAHF-QMMMGPOBSA-N -1 3 316.473 2.731 20 0 DFADHM CCO[C@H]1C[C@@H](N(C)Cc2nc(CC)cc(=O)[n-]2)C12CCC2 ZINC000154029340 426420289 /nfs/dbraw/zinc/42/02/89/426420289.db2.gz OLRVVUCPLSLZDI-KGLIPLIRSA-N -1 3 305.422 2.524 20 0 DFADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2sc(C)nc2C)n1 ZINC000176890475 426421432 /nfs/dbraw/zinc/42/14/32/426421432.db2.gz RARAMLBDQRJOTB-SSDOTTSWSA-N -1 3 317.461 2.564 20 0 DFADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)n1 ZINC000176900265 426422553 /nfs/dbraw/zinc/42/25/53/426422553.db2.gz NHJPAFXFGFPWFP-HUUCEWRRSA-N -1 3 309.369 2.730 20 0 DFADHM Cc1ocnc1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000176966245 426429749 /nfs/dbraw/zinc/42/97/49/426429749.db2.gz FBWNEZBUEXXPHR-UHFFFAOYSA-N -1 3 317.736 2.529 20 0 DFADHM CC[C@](C)(NC(=O)c1cccc(OC)c1[O-])c1nccs1 ZINC000154211711 426430540 /nfs/dbraw/zinc/43/05/40/426430540.db2.gz SYGMBNPIJJQFES-HNNXBMFYSA-N -1 3 306.387 2.913 20 0 DFADHM Cc1ccc([C@@H]2CN(C(=O)c3ccc(C)cc3[O-])CCO2)o1 ZINC000154243733 426432264 /nfs/dbraw/zinc/43/22/64/426432264.db2.gz MHMADNCFPLQYMD-INIZCTEOSA-N -1 3 301.342 2.816 20 0 DFADHM CC[C@@](C)(NC(=O)c1cc(OC)ccc1[O-])c1nccs1 ZINC000154267971 426433933 /nfs/dbraw/zinc/43/39/33/426433933.db2.gz CTDCUANWZJYNGK-OAHLLOKOSA-N -1 3 306.387 2.913 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCc2ccccc21 ZINC000154325574 426436094 /nfs/dbraw/zinc/43/60/94/426436094.db2.gz PNGGQLVFZGDHLP-GFCCVEGCSA-N -1 3 309.412 2.723 20 0 DFADHM COCCS(=O)(=O)[N-]c1ccccc1COc1ccccc1 ZINC000154359208 426437569 /nfs/dbraw/zinc/43/75/69/426437569.db2.gz HYGSMDVEJHTBRI-UHFFFAOYSA-N -1 3 321.398 2.654 20 0 DFADHM CCN1CCC[C@H]1CN(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000177043821 426437896 /nfs/dbraw/zinc/43/78/96/426437896.db2.gz HZIZXDVEBYWDRE-LBPRGKRZSA-N -1 3 319.430 2.673 20 0 DFADHM COCc1ncsc1C(=O)[N-]c1ccc(F)c(F)c1F ZINC000340718111 269003722 /nfs/dbraw/zinc/00/37/22/269003722.db2.gz LMCFSKQOQLQWOJ-UHFFFAOYSA-N -1 3 302.277 2.959 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H]1CCC[C@H]1F ZINC000340768853 269009595 /nfs/dbraw/zinc/00/95/95/269009595.db2.gz BNIODIXYDYPHAQ-GHMZBOCLSA-N -1 3 316.170 2.704 20 0 DFADHM C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1ccon1 ZINC000340782503 269012633 /nfs/dbraw/zinc/01/26/33/269012633.db2.gz MOYMIJIVPZRUPK-QMMMGPOBSA-N -1 3 318.757 2.648 20 0 DFADHM CCc1ccc(S(=O)(=O)[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000340821054 269016824 /nfs/dbraw/zinc/01/68/24/269016824.db2.gz JHVHWEJMDGNOJC-NSHDSACASA-N -1 3 306.387 2.588 20 0 DFADHM CC(C)Cn1cnc(S(=O)(=O)[N-]CC2(CC(C)C)CC2)c1 ZINC000340876133 269025920 /nfs/dbraw/zinc/02/59/20/269025920.db2.gz GKNSCHUHQGVOPG-UHFFFAOYSA-N -1 3 313.467 2.644 20 0 DFADHM CCOc1ccccc1CNC(=O)c1cc(OC)ccc1[O-] ZINC000097129901 426451516 /nfs/dbraw/zinc/45/15/16/426451516.db2.gz BZMSDKSYKPHZRE-UHFFFAOYSA-N -1 3 301.342 2.730 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000123999181 426465624 /nfs/dbraw/zinc/46/56/24/426465624.db2.gz NZYLWYUSOBBZOD-GFCCVEGCSA-N -1 3 319.792 2.717 20 0 DFADHM CC(=O)N[C@@H](CC(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000124260831 426476989 /nfs/dbraw/zinc/47/69/89/426476989.db2.gz IDGJDRZLWAYTCP-INIZCTEOSA-N -1 3 316.332 2.737 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC(C3CCOCC3)CC2)c1 ZINC000124274222 426478168 /nfs/dbraw/zinc/47/81/68/426478168.db2.gz YDPWTVGGYANPMB-UHFFFAOYSA-N -1 3 319.401 2.680 20 0 DFADHM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc([O-])cc(F)c1 ZINC000186151744 426488730 /nfs/dbraw/zinc/48/87/30/426488730.db2.gz MLYIKSUBWZKGSC-RCBQFDQVSA-N -1 3 307.365 2.837 20 0 DFADHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000101630753 426485655 /nfs/dbraw/zinc/48/56/55/426485655.db2.gz UEZXJQWOXKUAQU-STQMWFEESA-N -1 3 304.390 2.615 20 0 DFADHM C[C@H]1CCN(C(=O)CNC(=O)c2ccccc2)c2c([O-])cccc21 ZINC000186333572 426506703 /nfs/dbraw/zinc/50/67/03/426506703.db2.gz UCSIAKKTJUXVNN-ZDUSSCGKSA-N -1 3 324.380 2.662 20 0 DFADHM CSCCO[N-]C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000280179709 426512870 /nfs/dbraw/zinc/51/28/70/426512870.db2.gz ZQZAYGFUQYJNER-UHFFFAOYSA-N -1 3 323.336 2.929 20 0 DFADHM COCC[C@H](NC(=O)c1ccc(OC)cc1[O-])c1ccc(C)o1 ZINC000272386891 426513349 /nfs/dbraw/zinc/51/33/49/426513349.db2.gz ZAQRZSOGQOWRHA-AWEZNQCLSA-N -1 3 319.357 2.810 20 0 DFADHM COc1ccc(C[N-]C(=O)C(F)(F)c2ncccc2C)cc1F ZINC000195343991 426517552 /nfs/dbraw/zinc/51/75/52/426517552.db2.gz QMOKTDZSJIRKET-UHFFFAOYSA-N -1 3 324.302 2.946 20 0 DFADHM O=C(C[C@H]1OC(=O)c2ccccc21)N1CCCc2cccc([O-])c21 ZINC000272411547 426518605 /nfs/dbraw/zinc/51/86/05/426518605.db2.gz FTPNLWDLKXICQU-MRXNPFEDSA-N -1 3 323.348 2.973 20 0 DFADHM C[S@@](=O)C[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000186405878 426521524 /nfs/dbraw/zinc/52/15/24/426521524.db2.gz WCGWNLXMQORTER-HRAATJIYSA-N -1 3 307.390 2.741 20 0 DFADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC(=O)[C@@H](C)C3)c(=O)c2c1 ZINC000288697730 426527976 /nfs/dbraw/zinc/52/79/76/426527976.db2.gz XXCAKCFQCTZZEO-LBPRGKRZSA-N -1 3 312.369 2.608 20 0 DFADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000288773186 426530431 /nfs/dbraw/zinc/53/04/31/426530431.db2.gz BDQAMFLWVRWWIQ-VIFPVBQESA-N -1 3 324.787 2.831 20 0 DFADHM COc1ccc(F)cc1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000186461001 426530571 /nfs/dbraw/zinc/53/05/71/426530571.db2.gz SAYWKBBJZJYDBE-UHFFFAOYSA-N -1 3 307.296 2.538 20 0 DFADHM Cc1cc(C(=O)NCc2cccc(C(=O)NC3CC3)c2)ccc1[O-] ZINC000272488339 426538176 /nfs/dbraw/zinc/53/81/76/426538176.db2.gz RIDCUPYRLIHWOC-UHFFFAOYSA-N -1 3 324.380 2.523 20 0 DFADHM C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2)c2c([O-])cccc21 ZINC000186279672 426499696 /nfs/dbraw/zinc/49/96/96/426499696.db2.gz BEQZNTDJKRJZBU-LBPRGKRZSA-N -1 3 310.353 2.871 20 0 DFADHM COC(=O)N(C)CCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186306320 426501701 /nfs/dbraw/zinc/50/17/01/426501701.db2.gz JFUFFWQZYDFABH-GFCCVEGCSA-N -1 3 320.389 2.711 20 0 DFADHM CCOC(=O)NCCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186308967 426502008 /nfs/dbraw/zinc/50/20/08/426502008.db2.gz BGQOPLKKUSEJMB-LBPRGKRZSA-N -1 3 320.389 2.759 20 0 DFADHM O=S(=O)([N-]C1CCSCC1)c1ccc(Cl)cc1F ZINC000195140991 426502348 /nfs/dbraw/zinc/50/23/48/426502348.db2.gz MLVIFJOVDVCVCN-UHFFFAOYSA-N -1 3 309.815 2.653 20 0 DFADHM COc1cccc(O[C@H](C)CNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000272349913 426503209 /nfs/dbraw/zinc/50/32/09/426503209.db2.gz ABDUOWFITDMFOR-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM CCNC(=O)CCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186319464 426504981 /nfs/dbraw/zinc/50/49/81/426504981.db2.gz BOZWWBYQTYNPTC-LBPRGKRZSA-N -1 3 304.390 2.539 20 0 DFADHM Cc1cc(F)c(S(=O)(=O)[N-]C(C2CC2)C2CC2)cc1F ZINC000178124118 426575028 /nfs/dbraw/zinc/57/50/28/426575028.db2.gz IAXCTLOLIWFLAF-UHFFFAOYSA-N -1 3 301.358 2.740 20 0 DFADHM COCCS(=O)(=O)[N-]c1c(F)cc(Cl)cc1Cl ZINC000186670999 426575564 /nfs/dbraw/zinc/57/55/64/426575564.db2.gz WXWAQYRKYARSAC-UHFFFAOYSA-N -1 3 302.154 2.521 20 0 DFADHM C[C@]1(NCc2cc(=O)oc3cc([O-])ccc23)CCO[C@H]1C1CC1 ZINC000273020340 426575938 /nfs/dbraw/zinc/57/59/38/426575938.db2.gz DLLSEGHKMZLLKI-ROUUACIJSA-N -1 3 315.369 2.546 20 0 DFADHM Cc1ccc(CC(=O)[N-]O[C@H](C)c2nc(C(C)C)no2)cc1 ZINC000178159615 426578519 /nfs/dbraw/zinc/57/85/19/426578519.db2.gz JKGHPAGEOPUFRU-GFCCVEGCSA-N -1 3 303.362 2.853 20 0 DFADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1nccs1 ZINC000186687140 426579170 /nfs/dbraw/zinc/57/91/70/426579170.db2.gz PAXVICRKFFDWKV-QMMMGPOBSA-N -1 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426715426 /nfs/dbraw/zinc/71/54/26/426715426.db2.gz VZCRSHNGYYWYFT-SECBINFHSA-N -1 3 304.173 2.779 20 0 DFADHM COCCCOc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274172944 426719527 /nfs/dbraw/zinc/71/95/27/426719527.db2.gz JBCATCYOWZGYQS-HNNXBMFYSA-N -1 3 324.377 2.682 20 0 DFADHM COCCCOc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274172944 426719533 /nfs/dbraw/zinc/71/95/33/426719533.db2.gz JBCATCYOWZGYQS-HNNXBMFYSA-N -1 3 324.377 2.682 20 0 DFADHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000178779118 426693362 /nfs/dbraw/zinc/69/33/62/426693362.db2.gz FGJKNVREKXFWRR-JTQLQIEISA-N -1 3 323.817 2.555 20 0 DFADHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000178779217 426693655 /nfs/dbraw/zinc/69/36/55/426693655.db2.gz WZEJKHYUSQFPQK-SNVBAGLBSA-N -1 3 323.817 2.555 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nnc(C)s2)sc1C ZINC000273638835 426699334 /nfs/dbraw/zinc/69/93/34/426699334.db2.gz UJWWQBXFMBLKRA-SSDOTTSWSA-N -1 3 317.461 2.564 20 0 DFADHM COc1ccc(C(=O)Nc2ncccc2[O-])c(OCC2CC2)c1 ZINC000187875381 426701696 /nfs/dbraw/zinc/70/16/96/426701696.db2.gz ARQMYHKEULGILM-UHFFFAOYSA-N -1 3 314.341 2.837 20 0 DFADHM Cc1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1 ZINC000281797052 426766749 /nfs/dbraw/zinc/76/67/49/426766749.db2.gz VENVPZPSGKBAFE-JTQLQIEISA-N -1 3 307.337 2.848 20 0 DFADHM CO[C@@]1(C)C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1(C)C ZINC000266724745 426767549 /nfs/dbraw/zinc/76/75/49/426767549.db2.gz VROUAGVWZBACOR-QAPCUYQASA-N -1 3 314.385 2.874 20 0 DFADHM CO[C@@H]1CCN(Cc2cc(=O)oc3c(C)c([O-])ccc23)[C@@H](C)C1 ZINC000281805295 426767606 /nfs/dbraw/zinc/76/76/06/426767606.db2.gz VQGITRBVDIMXPK-SMDDNHRTSA-N -1 3 317.385 2.806 20 0 DFADHM CN1CC[C@H](NC(=O)c2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC000245748708 426769293 /nfs/dbraw/zinc/76/92/93/426769293.db2.gz APBQQJXNFVNSDU-DOTOQJQBSA-N -1 3 314.360 2.707 20 0 DFADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(N)c2)on1 ZINC000274448318 426771890 /nfs/dbraw/zinc/77/18/90/426771890.db2.gz JHLAEYGQQMRXOT-UHFFFAOYSA-N -1 3 323.418 2.639 20 0 DFADHM COCCN(Cc1cccnc1)C(=O)c1cc([O-])ccc1Cl ZINC000290490731 426774451 /nfs/dbraw/zinc/77/44/51/426774451.db2.gz LOZJYPOPNPFVON-UHFFFAOYSA-N -1 3 320.776 2.729 20 0 DFADHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000281839911 426777024 /nfs/dbraw/zinc/77/70/24/426777024.db2.gz XSTNOVDMLDGFSM-YUMQZZPRSA-N -1 3 312.218 2.695 20 0 DFADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccccc2N)on1 ZINC000274486485 426778529 /nfs/dbraw/zinc/77/85/29/426778529.db2.gz RRGNASYYGYMNDT-UHFFFAOYSA-N -1 3 323.418 2.639 20 0 DFADHM COc1nnc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)[n-]1 ZINC000179364967 426782744 /nfs/dbraw/zinc/78/27/44/426782744.db2.gz AYVMGPGZWBNOQD-KGLIPLIRSA-N -1 3 308.341 2.709 20 0 DFADHM COc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)n[n-]1 ZINC000179364967 426782749 /nfs/dbraw/zinc/78/27/49/426782749.db2.gz AYVMGPGZWBNOQD-KGLIPLIRSA-N -1 3 308.341 2.709 20 0 DFADHM COc1n[n-]c(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)n1 ZINC000179364967 426782752 /nfs/dbraw/zinc/78/27/52/426782752.db2.gz 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CCc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1 ZINC000267277090 426859382 /nfs/dbraw/zinc/85/93/82/426859382.db2.gz GEBKWIGNQUZTOG-UHFFFAOYSA-N -1 3 319.430 2.506 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000295209622 426863709 /nfs/dbraw/zinc/86/37/09/426863709.db2.gz OXFCPULUDAIDFF-UHFFFAOYSA-N -1 3 301.717 2.959 20 0 DFADHM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(F)ccc1[O-] ZINC000267299614 426866366 /nfs/dbraw/zinc/86/63/66/426866366.db2.gz CJFMHUHNYHIXQP-CQSZACIVSA-N -1 3 320.320 2.517 20 0 DFADHM C[C@H](O)CCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000295225523 426868452 /nfs/dbraw/zinc/86/84/52/426868452.db2.gz NRKYSWQTFCCJEG-ZDUSSCGKSA-N -1 3 301.386 2.755 20 0 DFADHM CN(C[C@H]1CCOC1)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000295255295 426880585 /nfs/dbraw/zinc/88/05/85/426880585.db2.gz KLNYGFZCGJHDRQ-CQSZACIVSA-N -1 3 313.397 2.973 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)NCC[C@@H](O)C(C)C)c[n-]c12 ZINC000305139872 426886371 /nfs/dbraw/zinc/88/63/71/426886371.db2.gz VSZZRIBHUMPZPU-CQSZACIVSA-N 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Cc1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cc1[O-] ZINC000181271672 426930157 /nfs/dbraw/zinc/93/01/57/426930157.db2.gz PXLFABATWCUJPR-UHFFFAOYSA-N -1 3 323.146 2.816 20 0 DFADHM CCOc1cc(Cl)ccc1NC([O-])=NOC[C@H]1CCOC1 ZINC000189725600 426932483 /nfs/dbraw/zinc/93/24/83/426932483.db2.gz HMWSLZNXFQCXKE-JTQLQIEISA-N -1 3 314.769 2.828 20 0 DFADHM CCOc1cc(Cl)ccc1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000189725600 426932487 /nfs/dbraw/zinc/93/24/87/426932487.db2.gz HMWSLZNXFQCXKE-JTQLQIEISA-N -1 3 314.769 2.828 20 0 DFADHM [O-]c1cccc(CNCC[C@H]2CCCO2)c1Br ZINC000315275422 426935722 /nfs/dbraw/zinc/93/57/22/426935722.db2.gz BCMBFVKJMNZBSN-LLVKDONJSA-N -1 3 300.196 2.813 20 0 DFADHM O=c1[n-]nc([C@@H]2CCCN(Cc3ccc(C(F)F)cc3)C2)o1 ZINC000295393187 426940965 /nfs/dbraw/zinc/94/09/65/426940965.db2.gz RCIFQKBQVSZHOG-GFCCVEGCSA-N -1 3 309.316 2.680 20 0 DFADHM CO[C@](C)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CC1 ZINC000291659335 426942297 /nfs/dbraw/zinc/94/22/97/426942297.db2.gz JAIXCGQLYQSHBX-CYBMUJFWSA-N -1 3 321.801 2.573 20 0 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CC(C)=CC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000190247239 427054144 /nfs/dbraw/zinc/05/41/44/427054144.db2.gz RLWPRXCMGBVFBY-UHFFFAOYSA-N -1 3 322.199 2.833 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)[n-]c(=O)n1 ZINC000268614316 427068323 /nfs/dbraw/zinc/06/83/23/427068323.db2.gz BZTKOHDENZEZCG-SFHVURJKSA-N -1 3 311.385 2.685 20 0 DFADHM CC[C@H](CO)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000296088951 427072758 /nfs/dbraw/zinc/07/27/58/427072758.db2.gz PAJRSEXWGLRJAM-MRXNPFEDSA-N -1 3 313.397 2.826 20 0 DFADHM CCc1cc(C(=O)NC[C@](C)(O)c2cccs2)ccc1[O-] ZINC000292061748 427073582 /nfs/dbraw/zinc/07/35/82/427073582.db2.gz ZJXLCZGVSHLYJF-INIZCTEOSA-N -1 3 305.399 2.654 20 0 DFADHM [O-]c1ccc(-c2noc(-c3cnc(OCC4CC4)cn3)n2)cc1 ZINC000283778905 427074340 /nfs/dbraw/zinc/07/43/40/427074340.db2.gz FASXLPOEWQEZAI-UHFFFAOYSA-N -1 3 310.313 2.688 20 0 DFADHM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000182449832 427077051 /nfs/dbraw/zinc/07/70/51/427077051.db2.gz NMWQNRDDZHDHNT-CYBMUJFWSA-N -1 3 320.389 2.522 20 0 DFADHM CC1(C)C[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000268819557 427128606 /nfs/dbraw/zinc/12/86/06/427128606.db2.gz GPVWCSJWMHBYHF-LLVKDONJSA-N -1 3 313.195 2.752 20 0 DFADHM CCC(O)(CC)CCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000276489946 427082864 /nfs/dbraw/zinc/08/28/64/427082864.db2.gz SEFCCECOVWNEPK-UHFFFAOYSA-N -1 3 302.374 2.611 20 0 DFADHM CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000182507193 427089328 /nfs/dbraw/zinc/08/93/28/427089328.db2.gz MMNOZSPRKRAABU-NEPJUHHUSA-N -1 3 312.435 2.987 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)s1 ZINC000296153022 427091475 /nfs/dbraw/zinc/09/14/75/427091475.db2.gz GXLQKXKXTYJEKP-UWVGGRQHSA-N -1 3 324.418 2.867 20 0 DFADHM C[C@H]1CSCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000190396752 427093907 /nfs/dbraw/zinc/09/39/07/427093907.db2.gz XOGFWQHMEPTROV-LLVKDONJSA-N -1 3 305.399 2.684 20 0 DFADHM CCc1cc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)ccc1[O-] ZINC000292115752 427094252 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DJDHFMLBLFDHCG-NSHDSACASA-N -1 3 324.450 2.838 20 0 DFADHM C[C@H]1CCCN(Cc2csc(NC(=O)[N-]OCC3CC3)n2)C1 ZINC000292250802 427148348 /nfs/dbraw/zinc/14/83/48/427148348.db2.gz DJDHFMLBLFDHCG-NSHDSACASA-N -1 3 324.450 2.838 20 0 DFADHM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)c([O-])c1C ZINC000296356324 427154718 /nfs/dbraw/zinc/15/47/18/427154718.db2.gz UMZMPMGTPOIVAZ-HNNXBMFYSA-N -1 3 313.401 2.966 20 0 DFADHM CC(C)(CO)ON=C([O-])Nc1ccc(F)c(C(F)(F)F)c1 ZINC000296357211 427155256 /nfs/dbraw/zinc/15/52/56/427155256.db2.gz IDISUBAGSTUUDI-UHFFFAOYSA-N -1 3 310.247 2.669 20 0 DFADHM CC(C)(CO)O[N-]C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000296357211 427155260 /nfs/dbraw/zinc/15/52/60/427155260.db2.gz IDISUBAGSTUUDI-UHFFFAOYSA-N -1 3 310.247 2.669 20 0 DFADHM COc1cc2c(cc1CNC(=O)c1cccc([O-])c1)O[C@@H](C)C2 ZINC000182855510 427156246 /nfs/dbraw/zinc/15/62/46/427156246.db2.gz FZNHKLALZWZHEL-NSHDSACASA-N -1 3 313.353 2.654 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000106063105 270997061 /nfs/dbraw/zinc/99/70/61/270997061.db2.gz CEAMZNPYPQMLPZ-SECBINFHSA-N -1 3 303.280 2.815 20 0 DFADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ncccc1[O-] ZINC000132859054 271040579 /nfs/dbraw/zinc/04/05/79/271040579.db2.gz SSYAMLXBHVFPOS-UHFFFAOYSA-N -1 3 306.325 2.805 20 0 DFADHM CC[C@@](C)(NC(=O)c1cc(F)cc2nn[n-]c21)c1nccs1 ZINC000277325463 427163822 /nfs/dbraw/zinc/16/38/22/427163822.db2.gz CNONWSIUDBJIAB-CQSZACIVSA-N -1 3 319.365 2.609 20 0 DFADHM CC[C@@](C)(NC(=O)c1cc(F)cc2[n-]nnc21)c1nccs1 ZINC000277325463 427163830 /nfs/dbraw/zinc/16/38/30/427163830.db2.gz CNONWSIUDBJIAB-CQSZACIVSA-N -1 3 319.365 2.609 20 0 DFADHM CC[C@@](C)(NC(=O)c1cc(F)cc2n[n-]nc21)c1nccs1 ZINC000277325463 427163833 /nfs/dbraw/zinc/16/38/33/427163833.db2.gz CNONWSIUDBJIAB-CQSZACIVSA-N -1 3 319.365 2.609 20 0 DFADHM COc1nnc(NC(=O)CCSc2ccccc2Cl)[n-]1 ZINC000158204410 271074855 /nfs/dbraw/zinc/07/48/55/271074855.db2.gz CZDWDRWBNNEFNI-UHFFFAOYSA-N -1 3 312.782 2.588 20 0 DFADHM COc1nc(NC(=O)CCSc2ccccc2Cl)n[n-]1 ZINC000158204410 271074859 /nfs/dbraw/zinc/07/48/59/271074859.db2.gz CZDWDRWBNNEFNI-UHFFFAOYSA-N -1 3 312.782 2.588 20 0 DFADHM COc1n[n-]c(NC(=O)CCSc2ccccc2Cl)n1 ZINC000158204410 271074863 /nfs/dbraw/zinc/07/48/63/271074863.db2.gz CZDWDRWBNNEFNI-UHFFFAOYSA-N -1 3 312.782 2.588 20 0 DFADHM COc1cc(C)cc(CNC(=O)c2cccc(OC)c2[O-])c1 ZINC000162594853 271084408 /nfs/dbraw/zinc/08/44/08/271084408.db2.gz WJJJYLRYNMMCQY-UHFFFAOYSA-N -1 3 301.342 2.648 20 0 DFADHM COc1ccc(C(=O)N(CCc2nccs2)C(C)C)c([O-])c1 ZINC000163287281 271089570 /nfs/dbraw/zinc/08/95/70/271089570.db2.gz LJOSKJCZCSYVKK-UHFFFAOYSA-N -1 3 320.414 2.951 20 0 DFADHM CN(C)Cc1ccccc1CNC(=O)c1c([O-])cccc1F ZINC000163652129 271091216 /nfs/dbraw/zinc/09/12/16/271091216.db2.gz VUKHFSYENFZTOL-UHFFFAOYSA-N -1 3 302.349 2.523 20 0 DFADHM COc1cccc(C(=O)Nc2ncccc2OC(F)F)c1[O-] ZINC000170809703 271099482 /nfs/dbraw/zinc/09/94/82/271099482.db2.gz PNYFFTOVIHNHGA-UHFFFAOYSA-N -1 3 310.256 2.650 20 0 DFADHM COC[C@H](NC(=O)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000171316454 271102381 /nfs/dbraw/zinc/10/23/81/271102381.db2.gz OMNGWTCFQDAOOT-HNNXBMFYSA-N -1 3 301.342 2.518 20 0 DFADHM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000178329318 271193310 /nfs/dbraw/zinc/19/33/10/271193310.db2.gz WFCFQAPJSLPHPV-GFCCVEGCSA-N -1 3 324.352 2.869 20 0 DFADHM Cc1nn(C)c(Cl)c1/C=C/C(=O)[N-]OCc1ccc(F)cc1 ZINC000184216290 271196570 /nfs/dbraw/zinc/19/65/70/271196570.db2.gz PKFGXOMBVQPDQZ-BQYQJAHWSA-N -1 3 323.755 2.782 20 0 DFADHM Cc1nnsc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000190551686 271212381 /nfs/dbraw/zinc/21/23/81/271212381.db2.gz VJFBFOAALPAPKK-UHFFFAOYSA-N -1 3 314.164 2.567 20 0 DFADHM CCCCOc1ccc(C(=O)NCC(C)(C)CCO)c([O-])c1 ZINC000190668511 271216601 /nfs/dbraw/zinc/21/66/01/271216601.db2.gz NFRWYOKYTHKPPP-UHFFFAOYSA-N -1 3 309.406 2.710 20 0 DFADHM CO[C@H](C)C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000190752710 271219721 /nfs/dbraw/zinc/21/97/21/271219721.db2.gz SQJMEEIKRDWURE-MRVPVSSYSA-N -1 3 319.835 2.868 20 0 DFADHM COCCOc1cncc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000338176579 427172399 /nfs/dbraw/zinc/17/23/99/427172399.db2.gz VDXFIBRDAUAWRZ-UHFFFAOYSA-N -1 3 322.748 2.718 20 0 DFADHM C[C@](O)(CCc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000338175621 427171421 /nfs/dbraw/zinc/17/14/21/427171421.db2.gz GOFUDFRTXZCOKX-KRWDZBQOSA-N -1 3 303.333 2.854 20 0 DFADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@]3(C)CC=CCC3)cn21 ZINC000333881061 271399778 /nfs/dbraw/zinc/39/97/78/271399778.db2.gz DMDJREKBEOXQJI-DOMZBBRYSA-N -1 3 309.435 2.558 20 0 DFADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(=O)[n-]1 ZINC000253563081 427217445 /nfs/dbraw/zinc/21/74/45/427217445.db2.gz RVRWYUBJPKSKJU-UEKVPHQBSA-N -1 3 305.422 2.673 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCCO[C@H]2CC)c([O-])c1 ZINC000277342667 427173726 /nfs/dbraw/zinc/17/37/26/427173726.db2.gz NDTOZQURGQSVEY-WFASDCNBSA-N -1 3 321.373 2.713 20 0 DFADHM CC(C)ON=C([O-])Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000296416211 427175644 /nfs/dbraw/zinc/17/56/44/427175644.db2.gz MPGAVDGEQAPRHZ-CHWSQXEVSA-N -1 3 307.394 2.762 20 0 DFADHM CC(C)O[N-]C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000296416211 427175653 /nfs/dbraw/zinc/17/56/53/427175653.db2.gz MPGAVDGEQAPRHZ-CHWSQXEVSA-N -1 3 307.394 2.762 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000333967178 271409496 /nfs/dbraw/zinc/40/94/96/271409496.db2.gz RSGOXUYSDINGFB-CABCVRRESA-N -1 3 317.385 2.519 20 0 DFADHM COCc1csc([N-]C(=O)c2nc3cccnc3s2)n1 ZINC000338189724 427180885 /nfs/dbraw/zinc/18/08/85/427180885.db2.gz CAOGCGSOIRNPHO-UHFFFAOYSA-N -1 3 306.372 2.547 20 0 DFADHM Cc1cccc(C2(C(=O)Nc3cc(-c4nccn4C)[n-]n3)CC2)c1 ZINC000269370034 427181157 /nfs/dbraw/zinc/18/11/57/427181157.db2.gz HJWKRCQIOVTMTP-UHFFFAOYSA-N -1 3 321.384 2.789 20 0 DFADHM Cc1cccc(C2(C(=O)Nc3cc(-c4nccn4C)n[n-]3)CC2)c1 ZINC000269370034 427181162 /nfs/dbraw/zinc/18/11/62/427181162.db2.gz HJWKRCQIOVTMTP-UHFFFAOYSA-N -1 3 321.384 2.789 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2Cc3ccccc3O[C@@H](C)C2)on1 ZINC000292445085 427182472 /nfs/dbraw/zinc/18/24/72/427182472.db2.gz OUULNJDJPUOQJX-STQMWFEESA-N -1 3 315.373 2.593 20 0 DFADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000269383903 427184835 /nfs/dbraw/zinc/18/48/35/427184835.db2.gz YWAAYBFJVSOMCZ-HTQZYQBOSA-N -1 3 322.199 2.523 20 0 DFADHM Cc1cccc(C(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1[O-] ZINC000292504224 427188361 /nfs/dbraw/zinc/18/83/61/427188361.db2.gz KDWLHFHYXIAMJT-GDBMZVCRSA-N -1 3 301.386 2.874 20 0 DFADHM COc1ccccc1C[C@H](CNCc1ccccc1F)C(=O)[O-] ZINC000277406553 427192623 /nfs/dbraw/zinc/19/26/23/427192623.db2.gz SFLPCPWURZJVGS-OAHLLOKOSA-N -1 3 317.360 2.867 20 0 DFADHM CCOc1cc(C(=O)[N-]c2cc(C(=O)OC)c(C)cc2C)on1 ZINC000296508413 427201654 /nfs/dbraw/zinc/20/16/54/427201654.db2.gz ZRINIVIJYWKMAX-UHFFFAOYSA-N -1 3 318.329 2.729 20 0 DFADHM CCOCc1cccc(NC([O-])=NOC(C)(C)C(=O)OCC)c1 ZINC000296508422 427203065 /nfs/dbraw/zinc/20/30/65/427203065.db2.gz QLJREGRCNRYYAD-UHFFFAOYSA-N -1 3 324.377 2.618 20 0 DFADHM CCOCc1cccc(NC(=O)[N-]OC(C)(C)C(=O)OCC)c1 ZINC000296508422 427203070 /nfs/dbraw/zinc/20/30/70/427203070.db2.gz QLJREGRCNRYYAD-UHFFFAOYSA-N -1 3 324.377 2.618 20 0 DFADHM CCc1cc(C(=O)Nc2cc([C@@H]3CCCO3)nn2C)ccc1[O-] ZINC000292924773 427203318 /nfs/dbraw/zinc/20/33/18/427203318.db2.gz OHLLGYFBOSZCSN-HNNXBMFYSA-N -1 3 315.373 2.792 20 0 DFADHM CCc1cc(C(=O)Nc2cc([C@H]3CCCO3)nn2C)ccc1[O-] ZINC000292924775 427204884 /nfs/dbraw/zinc/20/48/84/427204884.db2.gz OHLLGYFBOSZCSN-OAHLLOKOSA-N -1 3 315.373 2.792 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2CCC3(CC3)CC2)c1 ZINC000277442136 427206992 /nfs/dbraw/zinc/20/69/92/427206992.db2.gz JOTOXRAHXGAGNH-UHFFFAOYSA-N -1 3 302.374 2.803 20 0 DFADHM O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCc2nc[n-]c(=O)c2C1 ZINC000253555285 427214374 /nfs/dbraw/zinc/21/43/74/427214374.db2.gz MDXZTXXDALOTMT-MELADBBJSA-N -1 3 315.417 2.673 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c(=O)[n-]1 ZINC000253543485 427214635 /nfs/dbraw/zinc/21/46/35/427214635.db2.gz GRWICVFPTAWSBD-DIOULYMOSA-N -1 3 317.433 2.911 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2OC)c([O-])c1 ZINC000293312140 427284224 /nfs/dbraw/zinc/28/42/24/427284224.db2.gz FDYTVLREVCVDFS-SWLSCSKDSA-N -1 3 321.373 2.713 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000183507517 427285367 /nfs/dbraw/zinc/28/53/67/427285367.db2.gz UXTYHCRLXKGSRU-NXEZZACHSA-N -1 3 316.398 2.818 20 0 DFADHM CSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)[n-]1 ZINC000277500940 427222607 /nfs/dbraw/zinc/22/26/07/427222607.db2.gz MLGRHKFPKVKHFW-ZETCQYMHSA-N -1 3 312.782 2.586 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)n1 ZINC000277500940 427222612 /nfs/dbraw/zinc/22/26/12/427222612.db2.gz MLGRHKFPKVKHFW-ZETCQYMHSA-N -1 3 312.782 2.586 20 0 DFADHM CSc1nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)n[n-]1 ZINC000277500940 427222617 /nfs/dbraw/zinc/22/26/17/427222617.db2.gz MLGRHKFPKVKHFW-ZETCQYMHSA-N -1 3 312.782 2.586 20 0 DFADHM CCCCN(CC(F)(F)F)C(=O)/C=C\c1cncc([O-])c1 ZINC000254926881 427224677 /nfs/dbraw/zinc/22/46/77/427224677.db2.gz BCFLODRLDCNDAR-PLNGDYQASA-N -1 3 302.296 2.991 20 0 DFADHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000330391682 427228887 /nfs/dbraw/zinc/22/88/87/427228887.db2.gz PIFGTOQMVGFSRN-WCBMZHEXSA-N -1 3 308.325 2.567 20 0 DFADHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000183240226 427231602 /nfs/dbraw/zinc/23/16/02/427231602.db2.gz ZEAMYTSYSOFOTE-AWEZNQCLSA-N -1 3 322.380 2.897 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)/C=C\c2cccnc2)c([O-])c1 ZINC000255027986 427231725 /nfs/dbraw/zinc/23/17/25/427231725.db2.gz FBDCBWJMMUYFAD-YVMONPNESA-N -1 3 312.325 2.616 20 0 DFADHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000183253106 427232223 /nfs/dbraw/zinc/23/22/23/427232223.db2.gz IFSGSUJIOHNDMR-VXGBXAGGSA-N -1 3 322.380 2.755 20 0 DFADHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000183248254 427232326 /nfs/dbraw/zinc/23/23/26/427232326.db2.gz ZMJOHYHZTHSJIY-LLVKDONJSA-N -1 3 322.380 2.755 20 0 DFADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC(=O)Nc2ccccc21 ZINC000183249509 427232346 /nfs/dbraw/zinc/23/23/46/427232346.db2.gz KSFATHHXWMFCFT-LLVKDONJSA-N -1 3 300.289 2.596 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C ZINC000337211098 271476116 /nfs/dbraw/zinc/47/61/16/271476116.db2.gz UNQOEXPQGQMIDO-GXSJLCMTSA-N -1 3 303.811 2.816 20 0 DFADHM [O-]C(=NOCC1CC1)Nc1ccc(F)cc1OCC(F)F ZINC000296791027 427234704 /nfs/dbraw/zinc/23/47/04/427234704.db2.gz HNSORTPMNTVDMI-UHFFFAOYSA-N -1 3 304.268 2.933 20 0 DFADHM O=C([N-]OCC1CC1)Nc1ccc(F)cc1OCC(F)F ZINC000296791027 427234714 /nfs/dbraw/zinc/23/47/14/427234714.db2.gz HNSORTPMNTVDMI-UHFFFAOYSA-N -1 3 304.268 2.933 20 0 DFADHM CO[N-]C(=O)/C=C\c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000255068727 427238104 /nfs/dbraw/zinc/23/81/04/427238104.db2.gz OYOLRWHWFJHVAM-FPLPWBNLSA-N -1 3 309.728 2.664 20 0 DFADHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000191051275 427242287 /nfs/dbraw/zinc/24/22/87/427242287.db2.gz RSIJJMHABWEQNX-DTWKUNHWSA-N -1 3 324.229 2.839 20 0 DFADHM CC(C)CCC1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000330445996 427242600 /nfs/dbraw/zinc/24/26/00/427242600.db2.gz XRZYVZJXPZIKBQ-UHFFFAOYSA-N -1 3 320.437 2.537 20 0 DFADHM COC[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])CC(C)(C)O1 ZINC000285474960 427244027 /nfs/dbraw/zinc/24/40/27/427244027.db2.gz LIDPVRUYIIDDOD-AWEZNQCLSA-N -1 3 321.417 2.782 20 0 DFADHM Cn1cncc1[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000293200340 427244437 /nfs/dbraw/zinc/24/44/37/427244437.db2.gz IQHNXWNHABHSQH-SWLSCSKDSA-N -1 3 321.808 2.789 20 0 DFADHM O=C(c1c[n-]nc1-c1ccncc1)N1CCc2cc(F)ccc21 ZINC000338299861 427245469 /nfs/dbraw/zinc/24/54/69/427245469.db2.gz BMBUUJMAVSFIGP-UHFFFAOYSA-N -1 3 308.316 2.814 20 0 DFADHM O=C(c1cn[n-]c1-c1ccncc1)N1CCc2cc(F)ccc21 ZINC000338299861 427245478 /nfs/dbraw/zinc/24/54/78/427245478.db2.gz BMBUUJMAVSFIGP-UHFFFAOYSA-N -1 3 308.316 2.814 20 0 DFADHM CC(=O)N1CCC(CCC(=O)Nc2ccc(C)cc2[O-])CC1 ZINC000330484116 427249111 /nfs/dbraw/zinc/24/91/11/427249111.db2.gz XIQKDFHJLUFBCM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/10/95/83/272109583.db2.gz HRXIRTRAFKQZTN-UHFFFAOYSA-N -1 3 304.231 2.694 20 0 DFADHM O=C(CC1CCCCC1)NCCNCc1cc([O-])cc(F)c1 ZINC000185534651 427667979 /nfs/dbraw/zinc/66/79/79/427667979.db2.gz CTCKOFQTZNOTDS-UHFFFAOYSA-N -1 3 308.397 2.708 20 0 DFADHM C[C@@H](CCO)C1(CNC(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000343689226 272201513 /nfs/dbraw/zinc/20/15/13/272201513.db2.gz GRRBRNGRCKXIJR-LBPRGKRZSA-N -1 3 324.396 2.519 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@H]3C(F)F)nc2)n1 ZINC000343799953 272222139 /nfs/dbraw/zinc/22/21/39/272222139.db2.gz CSEZZKRWUOOGDX-GHMZBOCLSA-N -1 3 306.316 2.872 20 0 DFADHM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000343972795 272245472 /nfs/dbraw/zinc/24/54/72/272245472.db2.gz OYWXEMOERRPGBC-BXKDBHETSA-N -1 3 323.336 2.551 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C)c(Cl)cc1F ZINC000344048086 272252392 /nfs/dbraw/zinc/25/23/92/272252392.db2.gz KPKADAOCGGAMQC-TVQRCGJNSA-N -1 3 321.801 2.633 20 0 DFADHM COCCCO[N-]C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000287735518 427681209 /nfs/dbraw/zinc/68/12/09/427681209.db2.gz PJDLHEOOHSLXEK-UHFFFAOYSA-N -1 3 307.375 2.900 20 0 DFADHM CC(C)(C)n1cnc([N-]C(=O)c2ncccc2C(F)(F)F)n1 ZINC000344056419 272253244 /nfs/dbraw/zinc/25/32/44/272253244.db2.gz ZLHDIHWZVVLMIX-UHFFFAOYSA-N -1 3 313.283 2.699 20 0 DFADHM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000344124546 272268493 /nfs/dbraw/zinc/26/84/93/272268493.db2.gz XEFFVNVLSQGSCB-PELKAZGASA-N -1 3 324.229 2.839 20 0 DFADHM CC(=O)Nc1nc(C(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000344210538 272288485 /nfs/dbraw/zinc/28/84/85/272288485.db2.gz KOFPWJQNZUWIAW-UHFFFAOYSA-N -1 3 311.750 2.713 20 0 DFADHM COc1ccccc1C(=O)CNC(=O)c1cc([O-])ccc1Cl ZINC000344235961 272294066 /nfs/dbraw/zinc/29/40/66/272294066.db2.gz XOJZZCZADPFLBH-UHFFFAOYSA-N -1 3 319.744 2.667 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@H](C)n2ccc3ccccc3c2=O)n1 ZINC000344243736 272295785 /nfs/dbraw/zinc/29/57/85/272295785.db2.gz QFCVBNUBMQERPN-LBPRGKRZSA-N -1 3 323.352 2.610 20 0 DFADHM Cc1ncc(CNCc2nc(-c3ccccc3)cs2)c(=O)[n-]1 ZINC000344331749 272314286 /nfs/dbraw/zinc/31/42/86/272314286.db2.gz BCMUIYLUWJGUPO-UHFFFAOYSA-N -1 3 312.398 2.904 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2ccc(-c3ncco3)cc2)[n-]1 ZINC000344583753 272341650 /nfs/dbraw/zinc/34/16/50/272341650.db2.gz RMQXCLGGWQZGGT-UHFFFAOYSA-N -1 3 311.297 2.709 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(-c3cncnc3)cc2)on1 ZINC000344583449 272341795 /nfs/dbraw/zinc/34/17/95/272341795.db2.gz RZYBIILRRMVLAD-GFCCVEGCSA-N -1 3 323.356 2.879 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1F ZINC000339122101 427684549 /nfs/dbraw/zinc/68/45/49/427684549.db2.gz HRZJZLCEOSCZNZ-ZJUUUORDSA-N -1 3 307.774 2.518 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC(C4CCC4)C3)c[n-]c12 ZINC000344668733 272354582 /nfs/dbraw/zinc/35/45/82/272354582.db2.gz HDPBBZUMDCZNCY-UHFFFAOYSA-N -1 3 314.360 2.848 20 0 DFADHM CCN(C[C@@H]1CCCO1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344790619 272370379 /nfs/dbraw/zinc/37/03/79/272370379.db2.gz HXTSPTRSCMZIOJ-AWEZNQCLSA-N -1 3 309.381 2.882 20 0 DFADHM Cc1cc(F)c(S(=O)(=O)[N-]CCSC(C)C)cc1F ZINC000344821776 272374753 /nfs/dbraw/zinc/37/47/53/272374753.db2.gz GXWCSDDFUGSXAQ-UHFFFAOYSA-N -1 3 309.403 2.693 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC1(C)C ZINC000344835365 272376484 /nfs/dbraw/zinc/37/64/84/272376484.db2.gz UAVJWKFXZXZLRM-LBPRGKRZSA-N -1 3 303.811 2.816 20 0 DFADHM Cc1ccc(NC(=O)NCc2cnc(C)[n-]c2=O)c(Cl)c1 ZINC000344920795 272385547 /nfs/dbraw/zinc/38/55/47/272385547.db2.gz SNUWPSCXVNPUKT-UHFFFAOYSA-N -1 3 306.753 2.774 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccoc1 ZINC000344952631 272387641 /nfs/dbraw/zinc/38/76/41/272387641.db2.gz LHSLNUYPSGHDCW-KOLCDFICSA-N -1 3 311.325 2.927 20 0 DFADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1ccccc1Cl ZINC000344984098 272389756 /nfs/dbraw/zinc/38/97/56/272389756.db2.gz ZJEIVRZQLZHSBD-UHFFFAOYSA-N -1 3 313.728 2.959 20 0 DFADHM Cc1cccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)c1[O-] ZINC000287760538 427686798 /nfs/dbraw/zinc/68/67/98/427686798.db2.gz HHSCJOLVTIIIKL-AWEZNQCLSA-N -1 3 317.307 2.620 20 0 DFADHM CO[C@H]1CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)[C@H](C)C1 ZINC000287781829 427690488 /nfs/dbraw/zinc/69/04/88/427690488.db2.gz OHILLQNUVTYCFB-OLZOCXBDSA-N -1 3 314.385 2.888 20 0 DFADHM Cc1ncc(CNC(=O)Nc2cc(F)cc(Cl)c2)c(=O)[n-]1 ZINC000345092708 272406678 /nfs/dbraw/zinc/40/66/78/272406678.db2.gz KIUOQNOGQYWWCU-UHFFFAOYSA-N -1 3 310.716 2.605 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CC(C)(C)OC1(C)C ZINC000185701128 427692125 /nfs/dbraw/zinc/69/21/25/427692125.db2.gz OAIXQXNHKBELMP-LBPRGKRZSA-N -1 3 315.410 2.759 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cccc(C)c2)c1 ZINC000339160185 427708284 /nfs/dbraw/zinc/70/82/84/427708284.db2.gz ZOVDMSPDLCEJFL-UHFFFAOYSA-N -1 3 312.369 2.931 20 0 DFADHM COCCCO[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000287892231 427709661 /nfs/dbraw/zinc/70/96/61/427709661.db2.gz RPFJJHNYDVAWFI-CHWSQXEVSA-N -1 3 317.307 2.893 20 0 DFADHM CCc1noc(C)c1[N-]C(=O)c1nnn(-c2ccccc2)c1C ZINC000339172950 427717588 /nfs/dbraw/zinc/71/75/88/427717588.db2.gz WHTHXYWEBWWPNC-UHFFFAOYSA-N -1 3 311.345 2.687 20 0 DFADHM Cn1cc([C@H]2OCCC[C@H]2NCc2cccc([O-])c2Cl)cn1 ZINC000339359295 427758830 /nfs/dbraw/zinc/75/88/30/427758830.db2.gz HYVKDVDKHJETQK-CZUORRHYSA-N -1 3 321.808 2.789 20 0 DFADHM Cn1cc([C@@H]2OCCC[C@@H]2NCc2cccc([O-])c2Cl)cn1 ZINC000339359283 427759100 /nfs/dbraw/zinc/75/91/00/427759100.db2.gz HYVKDVDKHJETQK-BBRMVZONSA-N -1 3 321.808 2.789 20 0 DFADHM NC(=O)C[C@H](NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000339531926 427789270 /nfs/dbraw/zinc/78/92/70/427789270.db2.gz NYFSBQKBFPKTAB-ZDUSSCGKSA-N -1 3 304.777 2.752 20 0 DFADHM [O-]c1cccc(CNC[C@@H](CO)Cc2ccccc2)c1Cl ZINC000339199046 427727018 /nfs/dbraw/zinc/72/70/18/427727018.db2.gz KRCDRVPBOWWREO-AWEZNQCLSA-N -1 3 305.805 2.986 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2cc(-c3ccccc3)no2)c1 ZINC000339197888 427727437 /nfs/dbraw/zinc/72/74/37/427727437.db2.gz IBKGVJNHGJOJLP-UHFFFAOYSA-N -1 3 324.336 2.986 20 0 DFADHM O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1c[n-]nn1 ZINC000194145421 427732915 /nfs/dbraw/zinc/73/29/15/427732915.db2.gz VNVVANLVBWTCKA-HNNXBMFYSA-N -1 3 312.760 2.978 20 0 DFADHM O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cnn[n-]1 ZINC000194145421 427732918 /nfs/dbraw/zinc/73/29/18/427732918.db2.gz VNVVANLVBWTCKA-HNNXBMFYSA-N -1 3 312.760 2.978 20 0 DFADHM O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cn[n-]n1 ZINC000194145421 427732923 /nfs/dbraw/zinc/73/29/23/427732923.db2.gz VNVVANLVBWTCKA-HNNXBMFYSA-N -1 3 312.760 2.978 20 0 DFADHM CSCCCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000185976884 427737864 /nfs/dbraw/zinc/73/78/64/427737864.db2.gz JQIXAVPWGMBGLL-UHFFFAOYSA-N -1 3 309.403 2.776 20 0 DFADHM C[C@@H](NC(=O)c1c[n-]nn1)c1c(Cl)ccc(F)c1Cl ZINC000194374056 427739785 /nfs/dbraw/zinc/73/97/85/427739785.db2.gz SRXAENCFHHKAHM-RXMQYKEDSA-N -1 3 303.124 2.742 20 0 DFADHM C[C@@H](NC(=O)c1cnn[n-]1)c1c(Cl)ccc(F)c1Cl ZINC000194374056 427739788 /nfs/dbraw/zinc/73/97/88/427739788.db2.gz SRXAENCFHHKAHM-RXMQYKEDSA-N -1 3 303.124 2.742 20 0 DFADHM C[C@@H](NC(=O)c1cn[n-]n1)c1c(Cl)ccc(F)c1Cl ZINC000194374056 427739791 /nfs/dbraw/zinc/73/97/91/427739791.db2.gz SRXAENCFHHKAHM-RXMQYKEDSA-N -1 3 303.124 2.742 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)cc1[O-] ZINC000334105268 427741384 /nfs/dbraw/zinc/74/13/84/427741384.db2.gz CZIQLTWGJPUAER-LSDHHAIUSA-N -1 3 319.401 2.918 20 0 DFADHM CC(=O)Nc1cccc2c1CCN(C(=O)c1cc(C)ccc1[O-])C2 ZINC000194495273 427745135 /nfs/dbraw/zinc/74/51/35/427745135.db2.gz UDBYSHKPKJKZPH-UHFFFAOYSA-N -1 3 324.380 2.858 20 0 DFADHM CCCc1nc(=NC[C@H]2CCN(Cc3ccccc3)C2)s[n-]1 ZINC000336701824 427748527 /nfs/dbraw/zinc/74/85/27/427748527.db2.gz FBSLMOXLKRRZLS-OAHLLOKOSA-N -1 3 316.474 2.847 20 0 DFADHM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1cncc(Cl)c1 ZINC000337052238 427792985 /nfs/dbraw/zinc/79/29/85/427792985.db2.gz PFMFZVILDQIADN-UHFFFAOYSA-N -1 3 324.780 2.839 20 0 DFADHM CC(C)CSCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000339573809 427795262 /nfs/dbraw/zinc/79/52/62/427795262.db2.gz FKAFZQGCHZOPPM-UHFFFAOYSA-N -1 3 304.415 2.647 20 0 DFADHM Cc1nc(C)c(CC(=O)NCC[C@@H](C)c2ccccc2)c(=O)[n-]1 ZINC000337107710 427799756 /nfs/dbraw/zinc/79/97/56/427799756.db2.gz BQZRRMSZSYDBPC-GFCCVEGCSA-N -1 3 313.401 2.652 20 0 DFADHM O=C(NCCNc1ccc2ccccc2n1)c1ccc([O-])cc1 ZINC000301520168 427802154 /nfs/dbraw/zinc/80/21/54/427802154.db2.gz LBHUBMVODOLXBJ-UHFFFAOYSA-N -1 3 307.353 2.782 20 0 DFADHM Cc1ccc([O-])c(C(=O)Nc2cccc3c2ccn(C)c3=O)c1 ZINC000337143142 427804457 /nfs/dbraw/zinc/80/44/57/427804457.db2.gz VBFUBTSUIZFPNN-UHFFFAOYSA-N -1 3 308.337 2.805 20 0 DFADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OC(F)F)c1ccccc1F ZINC000337147185 427805844 /nfs/dbraw/zinc/80/58/44/427805844.db2.gz PSZMWQJCQCNZIM-GHMZBOCLSA-N -1 3 323.336 2.654 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2c(C)cccc2OC(F)F)c[n-]1 ZINC000339652426 427807247 /nfs/dbraw/zinc/80/72/47/427807247.db2.gz AMMSPYNOTWZGFB-UHFFFAOYSA-N -1 3 324.283 2.963 20 0 DFADHM COC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000339732168 427819547 /nfs/dbraw/zinc/81/95/47/427819547.db2.gz YNCZRUQTONBDIU-KRWDZBQOSA-N -1 3 322.364 2.646 20 0 DFADHM Fc1cnc(Sc2n[n-]c(-c3cc(F)cc(F)c3)n2)nc1 ZINC000301782076 427823175 /nfs/dbraw/zinc/82/31/75/427823175.db2.gz NXUYQZJUTUZZGM-UHFFFAOYSA-N -1 3 309.276 2.830 20 0 DFADHM COc1ncccc1C(=O)[N-]c1c(F)cc(C(C)=O)c(F)c1F ZINC000359415228 427841294 /nfs/dbraw/zinc/84/12/94/427841294.db2.gz HXAPUEXUUXVVQV-UHFFFAOYSA-N -1 3 324.258 2.962 20 0 DFADHM COc1ccccc1S(=O)(=O)[N-][C@H](C(C)C)C(F)(F)F ZINC000345652702 427846562 /nfs/dbraw/zinc/84/65/62/427846562.db2.gz ZTJAKRXEPDGTEJ-LLVKDONJSA-N -1 3 311.325 2.560 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000355717225 427859196 /nfs/dbraw/zinc/85/91/96/427859196.db2.gz SPCGEXBYYMBWFA-VHSXEESVSA-N -1 3 321.801 2.573 20 0 DFADHM COCC(C)(C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000349752643 427856826 /nfs/dbraw/zinc/85/68/26/427856826.db2.gz XIIWIOFPWPJDRK-UHFFFAOYSA-N -1 3 315.366 2.584 20 0 DFADHM O=C(CCSc1ccccc1Cl)Nc1ccncc1[O-] ZINC000340507982 427867924 /nfs/dbraw/zinc/86/79/24/427867924.db2.gz NRYNWBTXVOLUAJ-UHFFFAOYSA-N -1 3 308.790 2.983 20 0 DFADHM CCc1ccccc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000359480370 427870321 /nfs/dbraw/zinc/87/03/21/427870321.db2.gz IRUMAOUVQURALM-UHFFFAOYSA-N -1 3 313.283 2.708 20 0 DFADHM CCc1ccccc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000359480370 427870327 /nfs/dbraw/zinc/87/03/27/427870327.db2.gz IRUMAOUVQURALM-UHFFFAOYSA-N -1 3 313.283 2.708 20 0 DFADHM CCc1ccccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000359480370 427870332 /nfs/dbraw/zinc/87/03/32/427870332.db2.gz IRUMAOUVQURALM-UHFFFAOYSA-N -1 3 313.283 2.708 20 0 DFADHM CC(C)c1nc(N(C)C[C@@H](C)c2nnn[n-]2)cc(C(C)(C)C)n1 ZINC000302865501 427880375 /nfs/dbraw/zinc/88/03/75/427880375.db2.gz XZZCPWVZPOTKBS-LLVKDONJSA-N -1 3 317.441 2.651 20 0 DFADHM CC(C)c1nc(N(C)C[C@@H](C)c2nn[n-]n2)cc(C(C)(C)C)n1 ZINC000302865501 427880377 /nfs/dbraw/zinc/88/03/77/427880377.db2.gz XZZCPWVZPOTKBS-LLVKDONJSA-N -1 3 317.441 2.651 20 0 DFADHM O=C(NCCc1ccc(F)cc1Cl)c1csc(=O)[n-]1 ZINC000349853856 427880392 /nfs/dbraw/zinc/88/03/92/427880392.db2.gz UHUCBSHCYOAYRQ-UHFFFAOYSA-N -1 3 300.742 2.614 20 0 DFADHM O=C(Cc1ccc(Br)cc1[O-])N1C[C@H]2CCC[C@@H]21 ZINC000340580072 427885546 /nfs/dbraw/zinc/88/55/46/427885546.db2.gz ZZPUQYZBUGJLTE-PWSUYJOCSA-N -1 3 310.191 2.708 20 0 DFADHM C[C@]1(CO)CCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345759722 427894388 /nfs/dbraw/zinc/89/43/88/427894388.db2.gz QHKBGTSHJGOYBK-NVXWUHKLSA-N -1 3 309.381 2.521 20 0 DFADHM CCOc1cccc(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000337417574 427897574 /nfs/dbraw/zinc/89/75/74/427897574.db2.gz URYCOAOECVZZQO-UHFFFAOYSA-N -1 3 300.293 2.748 20 0 DFADHM CCOc1cccc(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000337417574 427897579 /nfs/dbraw/zinc/89/75/79/427897579.db2.gz URYCOAOECVZZQO-UHFFFAOYSA-N -1 3 300.293 2.748 20 0 DFADHM CCOc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000337417574 427897583 /nfs/dbraw/zinc/89/75/83/427897583.db2.gz URYCOAOECVZZQO-UHFFFAOYSA-N -1 3 300.293 2.748 20 0 DFADHM CCCOc1c(Cl)cc(CNC2(C(=O)[O-])CC2)cc1OC ZINC000340679729 427926133 /nfs/dbraw/zinc/92/61/33/427926133.db2.gz MTTFMRDBYDWZBZ-UHFFFAOYSA-N -1 3 313.781 2.844 20 0 DFADHM C/C=C\c1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)[C@@H](C)CC)cc1 ZINC000345769882 427898884 /nfs/dbraw/zinc/89/88/84/427898884.db2.gz TURUIEDSRZWYQH-YJXTXKHHSA-N -1 3 324.446 2.622 20 0 DFADHM O=C(N[C@H]1CCc2c1cccc2F)c1cc(F)cc2nn[n-]c21 ZINC000337436162 427903782 /nfs/dbraw/zinc/90/37/82/427903782.db2.gz HRVIGEKRWCBISM-ZDUSSCGKSA-N -1 3 314.295 2.653 20 0 DFADHM O=C(N[C@H]1CCc2c1cccc2F)c1cc(F)cc2[n-]nnc21 ZINC000337436162 427903789 /nfs/dbraw/zinc/90/37/89/427903789.db2.gz HRVIGEKRWCBISM-ZDUSSCGKSA-N -1 3 314.295 2.653 20 0 DFADHM O=C(N[C@H]1CCc2c1cccc2F)c1cc(F)cc2n[n-]nc21 ZINC000337436162 427903793 /nfs/dbraw/zinc/90/37/93/427903793.db2.gz HRVIGEKRWCBISM-ZDUSSCGKSA-N -1 3 314.295 2.653 20 0 DFADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC[C@@H]1Cc1ccccc1 ZINC000349954788 427905813 /nfs/dbraw/zinc/90/58/13/427905813.db2.gz OGMPEQIIDWJDFH-OAHLLOKOSA-N -1 3 318.376 2.985 20 0 DFADHM O=C(NCCC[C@@H]1CCCCO1)c1c[n-]nc1-c1ccccn1 ZINC000355815236 427906405 /nfs/dbraw/zinc/90/64/05/427906405.db2.gz WLCJSRJFBMTZBZ-ZDUSSCGKSA-N -1 3 314.389 2.551 20 0 DFADHM CC(C)[C@H]1C[C@H]1c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000345793826 427908014 /nfs/dbraw/zinc/90/80/14/427908014.db2.gz DYCFGPUGAGHNSH-CHWSQXEVSA-N -1 3 321.402 2.868 20 0 DFADHM O=C(Nc1cc(F)c(F)c(F)c1)c1cc(F)cc2[n-]nnc21 ZINC000337448968 427911201 /nfs/dbraw/zinc/91/12/01/427911201.db2.gz JOQOJTGGXQXUJE-UHFFFAOYSA-N -1 3 310.210 2.767 20 0 DFADHM O=C(Nc1cc(F)c(F)c(F)c1)c1cc(F)cc2nn[n-]c21 ZINC000337448968 427911209 /nfs/dbraw/zinc/91/12/09/427911209.db2.gz JOQOJTGGXQXUJE-UHFFFAOYSA-N -1 3 310.210 2.767 20 0 DFADHM O=C(Nc1cc(F)c(F)c(F)c1)c1cc(F)cc2n[n-]nc21 ZINC000337448968 427911211 /nfs/dbraw/zinc/91/12/11/427911211.db2.gz 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Cc1cc([N-]C(=O)[C@H](C)N2CC[C@H](c3ccccc3F)C2)on1 ZINC000337513839 427938366 /nfs/dbraw/zinc/93/83/66/427938366.db2.gz HBKLFKANNHXDOX-STQMWFEESA-N -1 3 317.364 2.939 20 0 DFADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc2[nH]1 ZINC000340151643 427939028 /nfs/dbraw/zinc/93/90/28/427939028.db2.gz LAQGIDBQDLXXRL-UHFFFAOYSA-N -1 3 323.324 2.950 20 0 DFADHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2[nH]1 ZINC000340151643 427939029 /nfs/dbraw/zinc/93/90/29/427939029.db2.gz LAQGIDBQDLXXRL-UHFFFAOYSA-N -1 3 323.324 2.950 20 0 DFADHM CC1(C)C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)CCO1 ZINC000345898048 427943889 /nfs/dbraw/zinc/94/38/89/427943889.db2.gz FTXCIJLHVOWBHX-CYBMUJFWSA-N -1 3 309.381 2.928 20 0 DFADHM C[C@H](NC(=O)c1cccs1)c1nc(-c2ccc([O-])cc2)no1 ZINC000350576971 427947573 /nfs/dbraw/zinc/94/75/73/427947573.db2.gz JLVPYJDLTRGSRJ-VIFPVBQESA-N -1 3 315.354 2.995 20 0 DFADHM COc1cccc(-c2nc(-c3ccc(N(C)C)nc3)no2)c1[O-] ZINC000350572934 427947971 /nfs/dbraw/zinc/94/79/71/427947971.db2.gz 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CCOc1nc2ccc(C(=O)N3CC(C(F)(F)F)C3)cc2[n-]1 ZINC000519845461 429494291 /nfs/dbraw/zinc/49/42/91/429494291.db2.gz ABWOBERVYXMEIB-UHFFFAOYSA-N -1 3 313.279 2.596 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C2(COC)CCCC2)c([O-])c1 ZINC000457668277 429502928 /nfs/dbraw/zinc/50/29/28/429502928.db2.gz MDKUHYDNZWEAFS-UHFFFAOYSA-N -1 3 321.373 2.714 20 0 DFADHM CN(Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)[C@@H]1CC1(C)C ZINC000520388023 429511442 /nfs/dbraw/zinc/51/14/42/429511442.db2.gz MXZRGZKZQOCFMO-CQSZACIVSA-N -1 3 323.400 2.751 20 0 DFADHM CC(C)Oc1ccc(CNC(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000492343293 429515762 /nfs/dbraw/zinc/51/57/62/429515762.db2.gz SJBGBGPJDGPKBC-VMPITWQZSA-N -1 3 312.369 2.904 20 0 DFADHM O=C(N[C@H](c1ccccn1)C1CCCC1)c1csc(=O)[n-]1 ZINC000366815161 429518763 /nfs/dbraw/zinc/51/87/63/429518763.db2.gz AHABZDRBHROECZ-ZDUSSCGKSA-N -1 3 303.387 2.905 20 0 DFADHM CCOc1nc2cc(C(=O)NCc3scnc3C)ccc2[n-]1 ZINC000449846174 429522984 /nfs/dbraw/zinc/52/29/84/429522984.db2.gz WHYQTRZAOISSBH-UHFFFAOYSA-N -1 3 316.386 2.657 20 0 DFADHM CCOc1nc2ccc(C(=O)NCc3scnc3C)cc2[n-]1 ZINC000449846174 429522988 /nfs/dbraw/zinc/52/29/88/429522988.db2.gz WHYQTRZAOISSBH-UHFFFAOYSA-N -1 3 316.386 2.657 20 0 DFADHM Fc1ccc2oc([N-]c3cnn(-c4ncccc4F)c3)nc2c1 ZINC000366955070 429548100 /nfs/dbraw/zinc/54/81/00/429548100.db2.gz OOHBWXSQKLOPOP-UHFFFAOYSA-N -1 3 313.267 3.430 20 0 DFADHM COc1cccc(C(=O)N[C@@H](C)CCCc2cccnc2)c1[O-] ZINC000457916667 429548553 /nfs/dbraw/zinc/54/85/53/429548553.db2.gz UUWLJCOYYWFGGM-ZDUSSCGKSA-N -1 3 314.385 2.937 20 0 DFADHM CSCc1nnc(SCc2cc(=O)[n-]c(C3CC3)n2)o1 ZINC000521403948 429551202 /nfs/dbraw/zinc/55/12/02/429551202.db2.gz TZMKUEBAUDSVDJ-UHFFFAOYSA-N -1 3 310.404 2.598 20 0 DFADHM O=C(/C=C/c1ccc(-c2ccccc2F)o1)[N-]O[C@@H]1CCOC1 ZINC000492507197 429553970 /nfs/dbraw/zinc/55/39/70/429553970.db2.gz RNLDMOWYGQPZQK-STMXVASLSA-N -1 3 317.316 2.936 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1CCCO[C@@H]1CC ZINC000428799653 429554274 /nfs/dbraw/zinc/55/42/74/429554274.db2.gz 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Cc1c2ccc(NC(=O)c3cc(F)cc4[n-]nnc43)cc2nn1C ZINC000428622964 429539646 /nfs/dbraw/zinc/53/96/46/429539646.db2.gz SFPZHMDJCXSGRM-UHFFFAOYSA-N -1 3 324.319 2.544 20 0 DFADHM Cc1c2ccc(NC(=O)c3cc(F)cc4nn[n-]c43)cc2nn1C ZINC000428622964 429539650 /nfs/dbraw/zinc/53/96/50/429539650.db2.gz SFPZHMDJCXSGRM-UHFFFAOYSA-N -1 3 324.319 2.544 20 0 DFADHM Cc1c2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc2nn1C ZINC000428622964 429539653 /nfs/dbraw/zinc/53/96/53/429539653.db2.gz SFPZHMDJCXSGRM-UHFFFAOYSA-N -1 3 324.319 2.544 20 0 DFADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1cnn[n-]1 ZINC000428624036 429540279 /nfs/dbraw/zinc/54/02/79/429540279.db2.gz IOWLDSHTEAVKBO-UHFFFAOYSA-N -1 3 315.720 2.898 20 0 DFADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1c[n-]nn1 ZINC000428624036 429540283 /nfs/dbraw/zinc/54/02/83/429540283.db2.gz IOWLDSHTEAVKBO-UHFFFAOYSA-N -1 3 315.720 2.898 20 0 DFADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1cn[n-]n1 ZINC000428624036 429540287 /nfs/dbraw/zinc/54/02/87/429540287.db2.gz IOWLDSHTEAVKBO-UHFFFAOYSA-N -1 3 315.720 2.898 20 0 DFADHM C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000521257288 429545925 /nfs/dbraw/zinc/54/59/25/429545925.db2.gz HUKQVBZHBFOUHS-NQBHXWOUSA-N -1 3 301.346 2.593 20 0 DFADHM CSc1cccc(F)c1CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492799485 429618132 /nfs/dbraw/zinc/61/81/32/429618132.db2.gz VYXCYFGOIZNXFE-WAYWQWQTSA-N -1 3 318.373 2.978 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@@H]3CCC[C@H]3OC)ccc2[n-]1 ZINC000450404337 429618923 /nfs/dbraw/zinc/61/89/23/429618923.db2.gz DYQBBIZCTSVKON-SWLSCSKDSA-N -1 3 317.389 2.507 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@@H]3CCC[C@H]3OC)cc2[n-]1 ZINC000450404337 429618927 /nfs/dbraw/zinc/61/89/27/429618927.db2.gz DYQBBIZCTSVKON-SWLSCSKDSA-N -1 3 317.389 2.507 20 0 DFADHM Cc1nn(C)c(C)c1[C@@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F ZINC000429599481 429621573 /nfs/dbraw/zinc/62/15/73/429621573.db2.gz SPRSIZNZAFRAIG-SECBINFHSA-N -1 3 317.233 2.709 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@@H](C)[C@@H]3CCCCO3)ccc2[n-]1 ZINC000450446500 429627004 /nfs/dbraw/zinc/62/70/04/429627004.db2.gz OFNVWGQKTAFYHO-NHYWBVRUSA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@@H](C)[C@@H]3CCCCO3)cc2[n-]1 ZINC000450446500 429627007 /nfs/dbraw/zinc/62/70/07/429627007.db2.gz OFNVWGQKTAFYHO-NHYWBVRUSA-N -1 3 317.389 2.649 20 0 DFADHM Cc1ccc(C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000458380555 429629888 /nfs/dbraw/zinc/62/98/88/429629888.db2.gz DPJSRZXAIARMIX-GFCCVEGCSA-N -1 3 307.390 2.750 20 0 DFADHM Cc1ccc(C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000458380556 429630893 /nfs/dbraw/zinc/63/08/93/429630893.db2.gz DPJSRZXAIARMIX-LBPRGKRZSA-N -1 3 307.390 2.750 20 0 DFADHM C[C@@H](NC(=O)C=Cc1cncc([O-])c1)c1ccc2n[nH]cc2c1 ZINC000492888627 429638215 /nfs/dbraw/zinc/63/82/15/429638215.db2.gz HLQMCZSYBAMATM-XGQHYKRYSA-N -1 3 308.341 2.554 20 0 DFADHM CC1(C)CN(C(=O)/C=C/c2cncc([O-])c2)[C@H]1c1ccncc1 ZINC000492896864 429639100 /nfs/dbraw/zinc/63/91/00/429639100.db2.gz RHYOXXQFXUCGIV-IDOMTICXSA-N -1 3 309.369 2.805 20 0 DFADHM O=c1[n-]nc(CN[C@H](c2ccccc2)C2CCOCC2)s1 ZINC000367453069 429650169 /nfs/dbraw/zinc/65/01/69/429650169.db2.gz XXWYYMIENKJPQW-CQSZACIVSA-N -1 3 305.403 2.501 20 0 DFADHM CSc1nnc(NC(=O)CCOc2cccc(Cl)c2)[n-]1 ZINC000522720398 429593450 /nfs/dbraw/zinc/59/34/50/429593450.db2.gz DHMZOXGQXXRDFV-UHFFFAOYSA-N -1 3 312.782 2.588 20 0 DFADHM CSc1n[n-]c(NC(=O)CCOc2cccc(Cl)c2)n1 ZINC000522720398 429593455 /nfs/dbraw/zinc/59/34/55/429593455.db2.gz DHMZOXGQXXRDFV-UHFFFAOYSA-N -1 3 312.782 2.588 20 0 DFADHM CSc1nc(NC(=O)CCOc2cccc(Cl)c2)n[n-]1 ZINC000522720398 429593459 /nfs/dbraw/zinc/59/34/59/429593459.db2.gz DHMZOXGQXXRDFV-UHFFFAOYSA-N -1 3 312.782 2.588 20 0 DFADHM O=c1[n-]nc(CN2CCC(OCc3ccccc3F)CC2)s1 ZINC000367458560 429651697 /nfs/dbraw/zinc/65/16/97/429651697.db2.gz MKHWFDGYVMWNGZ-UHFFFAOYSA-N -1 3 323.393 2.564 20 0 DFADHM COc1cc(C(=O)N2CC[C@H](c3ccco3)C2)cc(OC)c1[O-] ZINC000367201181 429595179 /nfs/dbraw/zinc/59/51/79/429595179.db2.gz NPTULYVCTXJGLU-NSHDSACASA-N -1 3 317.341 2.632 20 0 DFADHM CCOCCO[N-]C(=O)/C=C\c1cccc(Br)c1 ZINC000492689433 429596388 /nfs/dbraw/zinc/59/63/88/429596388.db2.gz SPIUVKNWUUZBEP-SREVYHEPSA-N -1 3 314.179 2.547 20 0 DFADHM CCO[C@@H]1C[C@@H](NCc2nc(CC)cc(=O)[n-]2)C1(CC)CC ZINC000429340477 429602059 /nfs/dbraw/zinc/60/20/59/429602059.db2.gz IZVCLOLJRZFCMQ-ZIAGYGMSSA-N -1 3 307.438 2.818 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2)C(F)(F)F ZINC000367290469 429612565 /nfs/dbraw/zinc/61/25/65/429612565.db2.gz KEYCWKPTVYUPKO-MRVPVSSYSA-N -1 3 323.336 2.629 20 0 DFADHM CCOc1nc2ccc(C(=O)Nc3cn(C)nc3CC)cc2[n-]1 ZINC000450385536 429614587 /nfs/dbraw/zinc/61/45/87/429614587.db2.gz DAVMYCBTFTZNMD-UHFFFAOYSA-N -1 3 313.361 2.510 20 0 DFADHM CCOc1nc2cc(C(=O)Nc3cn(C)nc3CC)ccc2[n-]1 ZINC000450385536 429614591 /nfs/dbraw/zinc/61/45/91/429614591.db2.gz DAVMYCBTFTZNMD-UHFFFAOYSA-N -1 3 313.361 2.510 20 0 DFADHM COc1cccc(CC2CCN(Cc3n[n-]c(=O)s3)CC2)c1 ZINC000367464294 429655511 /nfs/dbraw/zinc/65/55/11/429655511.db2.gz RKHWYLLIYZGINA-UHFFFAOYSA-N -1 3 319.430 2.707 20 0 DFADHM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(O)cc1[O-] ZINC000367548398 429670450 /nfs/dbraw/zinc/67/04/50/429670450.db2.gz CCISYEBWPSQUHH-CXAGYDPISA-N -1 3 313.353 2.605 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000525772114 429673320 /nfs/dbraw/zinc/67/33/20/429673320.db2.gz JYPBADROTMJVJV-WQVCFCJDSA-N -1 3 303.402 2.888 20 0 DFADHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000525894399 429686496 /nfs/dbraw/zinc/68/64/96/429686496.db2.gz WAZUGQFPEIIKCQ-AWEZNQCLSA-N -1 3 322.430 2.584 20 0 DFADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000182083512 276279110 /nfs/dbraw/zinc/27/91/10/276279110.db2.gz NLHIADOBBQTKBG-BXUZGUMPSA-N -1 3 316.405 2.715 20 0 DFADHM CC(C)(C)/C=C\C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000493118052 429692987 /nfs/dbraw/zinc/69/29/87/429692987.db2.gz LNZZRDDQWDBXRJ-JMEBYUIHSA-N -1 3 320.355 2.506 20 0 DFADHM O=C(Nc1csc(-c2ccccn2)n1)c1cccc2nn[n-]c21 ZINC000526119897 429702759 /nfs/dbraw/zinc/70/27/59/429702759.db2.gz JPEWXLHNPDNNDF-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1csc(-c2ccccn2)n1)c1cccc2[n-]nnc21 ZINC000526119897 429702764 /nfs/dbraw/zinc/70/27/64/429702764.db2.gz JPEWXLHNPDNNDF-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1csc(-c2ccccn2)n1)c1cccc2n[n-]nc21 ZINC000526119897 429702768 /nfs/dbraw/zinc/70/27/68/429702768.db2.gz JPEWXLHNPDNNDF-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])c1csc(=O)[nH]1 ZINC000526843463 429707290 /nfs/dbraw/zinc/70/72/90/429707290.db2.gz ILQWGEBMFVNUCT-UHFFFAOYSA-N -1 3 315.148 2.569 20 0 DFADHM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1csc(=O)[n-]1 ZINC000526920712 429707768 /nfs/dbraw/zinc/70/77/68/429707768.db2.gz RUWDAKIZBBIQLN-UHFFFAOYSA-N -1 3 306.362 2.741 20 0 DFADHM CC(C)c1ccccc1OCC(=O)NCc1ncccc1[O-] ZINC000526941389 429708605 /nfs/dbraw/zinc/70/86/05/429708605.db2.gz PTLMQSREPORPKT-UHFFFAOYSA-N -1 3 300.358 2.606 20 0 DFADHM CCCN(Cc1ccc(C)cc1)C(=O)CN(C)CCCC(=O)[O-] ZINC000430668917 429709119 /nfs/dbraw/zinc/70/91/19/429709119.db2.gz YSYJVPPDLBODSI-UHFFFAOYSA-N -1 3 320.433 2.530 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc2nn[n-]c21 ZINC000527108997 429723528 /nfs/dbraw/zinc/72/35/28/429723528.db2.gz CRUMCLBAZHKCMU-TVQRCGJNSA-N -1 3 314.295 2.522 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc2[n-]nnc21 ZINC000527108997 429723532 /nfs/dbraw/zinc/72/35/32/429723532.db2.gz CRUMCLBAZHKCMU-TVQRCGJNSA-N -1 3 314.295 2.522 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc2n[n-]nc21 ZINC000527108997 429723535 /nfs/dbraw/zinc/72/35/35/429723535.db2.gz CRUMCLBAZHKCMU-TVQRCGJNSA-N -1 3 314.295 2.522 20 0 DFADHM Oc1[n-]c(N2CCC[C@H]2c2ccc(F)cc2F)nc2nncc1-2 ZINC000450917514 429728210 /nfs/dbraw/zinc/72/82/10/429728210.db2.gz XTKJLYDJZXLMTE-LBPRGKRZSA-N -1 3 317.299 2.678 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cccc3c2OCCC3=O)c1 ZINC000367853702 429729021 /nfs/dbraw/zinc/72/90/21/429729021.db2.gz GSPQVQHNQRSNFR-UHFFFAOYSA-N -1 3 313.309 2.618 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2CCCc3nc(C)sc32)c([O-])c1 ZINC000367876970 429734811 /nfs/dbraw/zinc/73/48/11/429734811.db2.gz FNCPPTMXVOZQCM-CYBMUJFWSA-N -1 3 318.398 2.973 20 0 DFADHM COc1cccc(C(=O)Nc2cccc3c2OCCC3=O)c1[O-] ZINC000367879318 429735158 /nfs/dbraw/zinc/73/51/58/429735158.db2.gz OTWWNXQNEXSMPD-UHFFFAOYSA-N -1 3 313.309 2.618 20 0 DFADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC(C)(C)C1CCCCC1 ZINC000527245067 429736360 /nfs/dbraw/zinc/73/63/60/429736360.db2.gz NFUDIXVLOITQFV-AWEZNQCLSA-N -1 3 307.438 2.611 20 0 DFADHM Cc1nn(C)c2cc(NC(=O)/C=C\c3cncc([O-])c3)ccc12 ZINC000493325992 429738204 /nfs/dbraw/zinc/73/82/04/429738204.db2.gz TYEGNAMJDRSNAF-UTCJRWHESA-N -1 3 308.341 2.634 20 0 DFADHM C[C@@H]1Oc2c(cccc2F)[C@@H]1NC(=O)/C=C/c1cncc([O-])c1 ZINC000367919448 429744318 /nfs/dbraw/zinc/74/43/18/429744318.db2.gz YDOLZVLXGJFHAP-ZUNZLMBKSA-N -1 3 314.316 2.578 20 0 DFADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]CCC(F)(F)F ZINC000451281018 429803392 /nfs/dbraw/zinc/80/33/92/429803392.db2.gz ISGFQDPJMWPBRS-UHFFFAOYSA-N -1 3 319.707 2.851 20 0 DFADHM CCc1cc(C(=O)N2CC[C@@H](C3CCOCC3)C2)ccc1[O-] ZINC000368177935 429803950 /nfs/dbraw/zinc/80/39/50/429803950.db2.gz JAPCHSOZJWCXKD-MRXNPFEDSA-N -1 3 303.402 2.843 20 0 DFADHM COc1ccccc1C1CC(NC(=O)c2ccc(O)cc2[O-])C1 ZINC000367965546 429753956 /nfs/dbraw/zinc/75/39/56/429753956.db2.gz UAWZCPMIDFPGLC-UHFFFAOYSA-N -1 3 313.353 2.782 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2cccc(-c3cnco3)c2)c[n-]1 ZINC000431334961 429754732 /nfs/dbraw/zinc/75/47/32/429754732.db2.gz UOKFTWSUGIQEJG-UHFFFAOYSA-N -1 3 311.297 2.709 20 0 DFADHM CCc1cc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)OC)ccc1[O-] ZINC000486935133 429754831 /nfs/dbraw/zinc/75/48/31/429754831.db2.gz CUDQLOMGUDRZOT-RDTXWAMCSA-N -1 3 319.401 2.806 20 0 DFADHM O=C(/C=C\c1ccc(-n2ccnc2)cc1)[N-]OC/C=C\Cl ZINC000493421899 429758334 /nfs/dbraw/zinc/75/83/34/429758334.db2.gz PRYHLUSPNXIACG-PZWNUATCSA-N -1 3 303.749 2.686 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC[C@H]1CCO ZINC000451055090 429758802 /nfs/dbraw/zinc/75/88/02/429758802.db2.gz KEHMCNYSMQXDID-INIZCTEOSA-N -1 3 313.397 2.851 20 0 DFADHM O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1cc(-c2ccco2)[n-]n1 ZINC000431407870 429759965 /nfs/dbraw/zinc/75/99/65/429759965.db2.gz RSFKZFHPWZKPTN-UHFFFAOYSA-N -1 3 320.308 2.764 20 0 DFADHM O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1cc(-c2ccco2)n[n-]1 ZINC000431407870 429759972 /nfs/dbraw/zinc/75/99/72/429759972.db2.gz RSFKZFHPWZKPTN-UHFFFAOYSA-N -1 3 320.308 2.764 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2)C(C)(F)F ZINC000451068560 429761254 /nfs/dbraw/zinc/76/12/54/429761254.db2.gz ITSMHIDQLANSFU-VIFPVBQESA-N -1 3 317.357 2.528 20 0 DFADHM CCOc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)on1 ZINC000295273288 276492185 /nfs/dbraw/zinc/49/21/85/276492185.db2.gz HVVNXGQIGIFDAD-SNVBAGLBSA-N -1 3 302.330 2.933 20 0 DFADHM CCOc1ccc(/C=C\C(=O)[N-]OC/C=C\Cl)cc1OC ZINC000493445409 429764373 /nfs/dbraw/zinc/76/43/73/429764373.db2.gz DFFZBKIRXNHTMS-UQPYIGIGSA-N -1 3 311.765 2.907 20 0 DFADHM Cc1ccccc1CS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000451095650 429767961 /nfs/dbraw/zinc/76/79/61/429767961.db2.gz LYPFHIHTJNSEOJ-UHFFFAOYSA-N -1 3 302.399 2.821 20 0 DFADHM O=C(/C=C\c1c(Cl)nc2ccccn21)[N-]OC/C=C/Cl ZINC000493478993 429770172 /nfs/dbraw/zinc/77/01/72/429770172.db2.gz IEQADNFXLJQCAK-KQVMHNMJSA-N -1 3 312.156 2.801 20 0 DFADHM O=C(/C=C\c1ccc(Br)o1)[N-]OC/C=C\Cl ZINC000493475670 429770919 /nfs/dbraw/zinc/77/09/19/429770919.db2.gz BFEIQNBIENNHHD-MOAQZJEESA-N -1 3 306.543 2.856 20 0 DFADHM Cc1cc(C)c(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)s1 ZINC000431592376 429771592 /nfs/dbraw/zinc/77/15/92/429771592.db2.gz NRCIYZFQRVEVGD-UHFFFAOYSA-N -1 3 313.366 2.984 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCc1ccc2[nH]ccc2c1 ZINC000493488285 429772647 /nfs/dbraw/zinc/77/26/47/429772647.db2.gz TULOXBOGHCPZIY-DUXPYHPUSA-N -1 3 307.353 2.641 20 0 DFADHM CN(C[C@@H]1OCCc2ccccc21)C(=O)/C=C/c1cncc([O-])c1 ZINC000493498671 429776060 /nfs/dbraw/zinc/77/60/60/429776060.db2.gz ZGKNLCNTPYVBEO-DKFQHHCZSA-N -1 3 324.380 2.573 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)c1 ZINC000451177686 429780418 /nfs/dbraw/zinc/78/04/18/429780418.db2.gz IZNOZRJCOOQVRR-GFCCVEGCSA-N -1 3 323.439 2.901 20 0 DFADHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451197024 429787005 /nfs/dbraw/zinc/78/70/05/429787005.db2.gz XSEYQCZLYSDNDM-CYBMUJFWSA-N -1 3 316.492 2.599 20 0 DFADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000431859255 429787574 /nfs/dbraw/zinc/78/75/74/429787574.db2.gz QWQMGQBJDIFRRO-VIFPVBQESA-N -1 3 321.808 2.757 20 0 DFADHM CC[S@](=O)CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000431851357 429787792 /nfs/dbraw/zinc/78/77/92/429787792.db2.gz NRJSYVPWLJQQIB-QFIPXVFZSA-N -1 3 317.410 2.690 20 0 DFADHM COCCO[N-]C(=O)/C=C/c1ccc(C(F)(F)F)c(C)c1 ZINC000493566785 429787921 /nfs/dbraw/zinc/78/79/21/429787921.db2.gz ZTRKGIHONMRKBZ-GQCTYLIASA-N -1 3 303.280 2.721 20 0 DFADHM CC(C)(CO)O[N-]C(=O)/C=C\c1ccc(SC(F)F)cc1 ZINC000493583945 429789815 /nfs/dbraw/zinc/78/98/15/429789815.db2.gz KXTMHLCSIFYTRK-YVMONPNESA-N -1 3 317.357 2.833 20 0 DFADHM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc(F)cc2[n-]nnc21 ZINC000431896900 429789961 /nfs/dbraw/zinc/78/99/61/429789961.db2.gz VCXAEKKRZWJDMI-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc(F)cc2nn[n-]c21 ZINC000431896900 429789964 /nfs/dbraw/zinc/78/99/64/429789964.db2.gz VCXAEKKRZWJDMI-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc(F)cc2n[n-]nc21 ZINC000431896900 429789966 /nfs/dbraw/zinc/78/99/66/429789966.db2.gz VCXAEKKRZWJDMI-UHFFFAOYSA-N -1 3 322.303 2.739 20 0 DFADHM CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000431915173 429790062 /nfs/dbraw/zinc/79/00/62/429790062.db2.gz YZILWZFTFBCXMZ-UHFFFAOYSA-N -1 3 320.274 2.647 20 0 DFADHM CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000431915173 429790066 /nfs/dbraw/zinc/79/00/66/429790066.db2.gz YZILWZFTFBCXMZ-UHFFFAOYSA-N -1 3 320.274 2.647 20 0 DFADHM CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000431915173 429790068 /nfs/dbraw/zinc/79/00/68/429790068.db2.gz 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ZINC000432666178 429834767 /nfs/dbraw/zinc/83/47/67/429834767.db2.gz IVHUAZQGMURSQB-UHFFFAOYSA-N -1 3 302.359 2.673 20 0 DFADHM COC(=O)c1c[n-]c(SCc2ccc3[nH]c(C)nc3c2)n1 ZINC000432666178 429834770 /nfs/dbraw/zinc/83/47/70/429834770.db2.gz IVHUAZQGMURSQB-UHFFFAOYSA-N -1 3 302.359 2.673 20 0 DFADHM COC(=O)c1c[n-]c(SCc2ccc3nc(C)[nH]c3c2)n1 ZINC000432666178 429834774 /nfs/dbraw/zinc/83/47/74/429834774.db2.gz IVHUAZQGMURSQB-UHFFFAOYSA-N -1 3 302.359 2.673 20 0 DFADHM CCCOc1ccc(/C=C\C(=O)[N-]OCCOC(C)C)cc1 ZINC000493840760 429838502 /nfs/dbraw/zinc/83/85/02/429838502.db2.gz WHIJTWLTQKGFRT-YFHOEESVSA-N -1 3 307.390 2.961 20 0 DFADHM C[C@H]1CC(CCNC(=O)Cc2ccc([O-])c(F)c2)C[C@H](C)O1 ZINC000451528808 429843892 /nfs/dbraw/zinc/84/38/92/429843892.db2.gz QPXJYBQSPLOMSN-RYUDHWBXSA-N -1 3 309.381 2.784 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C(C)(C)c2c(C)noc2C)c1 ZINC000451545705 429850211 /nfs/dbraw/zinc/85/02/11/429850211.db2.gz OSRNHRARNVNABP-UHFFFAOYSA-N -1 3 314.432 2.875 20 0 DFADHM FC(F)(F)c1nsc(=NC[C@H]2CCN2C2CCCCC2)[n-]1 ZINC000528118991 429850576 /nfs/dbraw/zinc/85/05/76/429850576.db2.gz SURBSHBNYFMBEC-SNVBAGLBSA-N -1 3 320.384 2.798 20 0 DFADHM O=S(=O)([N-]CC[C@H]1CCc2ccccc21)c1cncc(F)c1 ZINC000451644318 429865738 /nfs/dbraw/zinc/86/57/38/429865738.db2.gz XLWVOLRRBPTNFR-CYBMUJFWSA-N -1 3 320.389 2.619 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](c2ccncn2)C1 ZINC000368215091 429810068 /nfs/dbraw/zinc/81/00/68/429810068.db2.gz JPXNSDWDTWFWPF-LLVKDONJSA-N -1 3 317.776 2.855 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](c2ccncn2)C1 ZINC000368215092 429810234 /nfs/dbraw/zinc/81/02/34/429810234.db2.gz JPXNSDWDTWFWPF-NSHDSACASA-N -1 3 317.776 2.855 20 0 DFADHM Cc1ccccc1-c1nc(=NC[C@H]2CCCN(C)C2)s[n-]1 ZINC000527885794 429814833 /nfs/dbraw/zinc/81/48/33/429814833.db2.gz MQSOCOONGLDXPF-CYBMUJFWSA-N -1 3 302.447 2.689 20 0 DFADHM CO[C@H](C)CN(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451724306 429879765 /nfs/dbraw/zinc/87/97/65/429879765.db2.gz FRQBRPFVTSXKBS-CYBMUJFWSA-N -1 3 301.386 2.971 20 0 DFADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000528547220 429898326 /nfs/dbraw/zinc/89/83/26/429898326.db2.gz IBNKQNZEEFQIDD-NMSKTSORSA-N -1 3 321.801 2.569 20 0 DFADHM CC[C@H](CO)N(Cc1n[nH]c(=O)[n-]1)C1CCC(C(C)(C)C)CC1 ZINC000528565940 429899069 /nfs/dbraw/zinc/89/90/69/429899069.db2.gz CIAOOFIKEYCSSF-ROKHWSDSSA-N -1 3 324.469 2.688 20 0 DFADHM CSc1ccc(C(=O)N2CCOCC23CCCC3)c([O-])c1 ZINC000368953187 429903702 /nfs/dbraw/zinc/90/37/02/429903702.db2.gz DEYLWWZOMJHHCE-UHFFFAOYSA-N -1 3 307.415 2.899 20 0 DFADHM Cc1cc([C@H]2CN(C(=O)c3csc(=O)[n-]3)CCO2)ccc1F ZINC000369101454 429912789 /nfs/dbraw/zinc/91/27/89/429912789.db2.gz XLVHAWAJUUWTPV-CYBMUJFWSA-N -1 3 322.361 2.510 20 0 DFADHM COc1ccc([C@H]2C[C@H](C)N(C(=O)c3csc(=O)[n-]3)C2)cc1 ZINC000369099698 429912825 /nfs/dbraw/zinc/91/28/25/429912825.db2.gz JFSJXIYUSYTEED-JQWIXIFHSA-N -1 3 318.398 2.876 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC[C@@](F)(c2ccc(F)cc2)C1 ZINC000369110844 429913428 /nfs/dbraw/zinc/91/34/28/429913428.db2.gz CZWNVDQFLUAODB-KRWDZBQOSA-N -1 3 319.307 2.948 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000369234027 429920840 /nfs/dbraw/zinc/92/08/40/429920840.db2.gz AHZGNRVYWZNYFX-LSDHHAIUSA-N -1 3 303.402 2.979 20 0 DFADHM Cc1cccc(C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000369236236 429921413 /nfs/dbraw/zinc/92/14/13/429921413.db2.gz MQIZWBWNUWACPH-CABCVRRESA-N -1 3 303.402 2.979 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)CCCOCc1ccccc1)C(C)(F)F ZINC000451689249 429872095 /nfs/dbraw/zinc/87/20/95/429872095.db2.gz LMLQWPWSPNGPGA-GFCCVEGCSA-N -1 3 321.389 2.556 20 0 DFADHM CC(C)n1nnnc1-c1cccc(NC([O-])=NOC2CCC2)c1 ZINC000529153024 429969211 /nfs/dbraw/zinc/96/92/11/429969211.db2.gz GAEMQOMZIXDESS-UHFFFAOYSA-N -1 3 316.365 2.527 20 0 DFADHM CC(C)n1nnnc1-c1cccc(NC(=O)[N-]OC2CCC2)c1 ZINC000529153024 429969219 /nfs/dbraw/zinc/96/92/19/429969219.db2.gz GAEMQOMZIXDESS-UHFFFAOYSA-N -1 3 316.365 2.527 20 0 DFADHM CCc1cccc(C(=O)N(C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000558406644 429970070 /nfs/dbraw/zinc/97/00/70/429970070.db2.gz QSTWPLJMZVKOIZ-MRXNPFEDSA-N -1 3 313.397 2.630 20 0 DFADHM COC1([C@H](C(=O)[O-])N(C)Cc2ccc(F)cc2Cl)CCC1 ZINC000573734083 429978053 /nfs/dbraw/zinc/97/80/53/429978053.db2.gz QVOIKKLWHRSQHW-ZDUSSCGKSA-N -1 3 315.772 2.933 20 0 DFADHM CC(C)COc1ccc(C(C)(C)NC(=O)c2c[n-]nn2)cc1 ZINC000558607499 429980243 /nfs/dbraw/zinc/98/02/43/429980243.db2.gz GJBJPJAQICOPQB-UHFFFAOYSA-N -1 3 302.378 2.505 20 0 DFADHM CC(C)COc1ccc(C(C)(C)NC(=O)c2cnn[n-]2)cc1 ZINC000558607499 429980246 /nfs/dbraw/zinc/98/02/46/429980246.db2.gz GJBJPJAQICOPQB-UHFFFAOYSA-N -1 3 302.378 2.505 20 0 DFADHM CC(C)COc1ccc(C(C)(C)NC(=O)c2cn[n-]n2)cc1 ZINC000558607499 429980250 /nfs/dbraw/zinc/98/02/50/429980250.db2.gz GJBJPJAQICOPQB-UHFFFAOYSA-N -1 3 302.378 2.505 20 0 DFADHM CC(C)[C@@H]1CN(CCOc2cccc(C(=O)[O-])c2)CCS1 ZINC000573259199 429938078 /nfs/dbraw/zinc/93/80/78/429938078.db2.gz LXYXXCLXWQUSDP-HNNXBMFYSA-N -1 3 309.431 2.837 20 0 DFADHM O=C(N[C@H]1CCN(c2ccccc2Cl)C1)c1csc(=O)[n-]1 ZINC000369407623 429939525 /nfs/dbraw/zinc/93/95/25/429939525.db2.gz MYXKYUIBDZTLCR-VIFPVBQESA-N -1 3 323.805 2.511 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)c([O-])c1 ZINC000369416773 429941575 /nfs/dbraw/zinc/94/15/75/429941575.db2.gz ITKGLJLRLSNQRI-LSDHHAIUSA-N -1 3 303.402 2.979 20 0 DFADHM COc1cc(F)c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000573336337 429944437 /nfs/dbraw/zinc/94/44/37/429944437.db2.gz MOYXUQADWUILKO-UHFFFAOYSA-N -1 3 321.283 2.599 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N(C)c3cnccc3C)c(=O)c2c1 ZINC000557616312 429947018 /nfs/dbraw/zinc/94/70/18/429947018.db2.gz LSNFCNNJWRWJAD-UHFFFAOYSA-N -1 3 307.353 2.817 20 0 DFADHM COc1cccc([C@@H](CNC(=O)c2cc(C)ccc2[O-])OC)c1 ZINC000529570142 430031317 /nfs/dbraw/zinc/03/13/17/430031317.db2.gz FDIDWOPNFVBIFK-QGZVFWFLSA-N -1 3 315.369 2.827 20 0 DFADHM Cc1c2occ([O-])c2ccc1OCc1nc(CC(C)C)no1 ZINC000634560631 430034998 /nfs/dbraw/zinc/03/49/98/430034998.db2.gz 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430009985 /nfs/dbraw/zinc/00/99/85/430009985.db2.gz STMZJPLHVXLSSF-UHFFFAOYSA-N -1 3 313.401 2.772 20 0 DFADHM O=C(Nc1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000559814737 430013698 /nfs/dbraw/zinc/01/36/98/430013698.db2.gz REAKUDYQHUXQBN-UHFFFAOYSA-N -1 3 308.696 2.762 20 0 DFADHM CC(C)OC1CCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC000574164798 430018644 /nfs/dbraw/zinc/01/86/44/430018644.db2.gz QZILUGMLLIWGPM-UHFFFAOYSA-N -1 3 307.390 2.653 20 0 DFADHM CC(C)N(Cc1ccccn1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000560098320 430021171 /nfs/dbraw/zinc/02/11/71/430021171.db2.gz DDUZOPDBQJTPSK-UHFFFAOYSA-N -1 3 302.349 2.906 20 0 DFADHM CC(C)O[C@@]1(C)C[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000529971164 430091354 /nfs/dbraw/zinc/09/13/54/430091354.db2.gz LLMUXJKZTGFVJM-WBVHZDCISA-N -1 3 309.381 2.926 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@]12CCC[C@H]1OCC2 ZINC000634746872 430099039 /nfs/dbraw/zinc/09/90/39/430099039.db2.gz OHOZGXJMDRGITA-WBMJQRKESA-N -1 3 316.336 2.509 20 0 DFADHM 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430061579 /nfs/dbraw/zinc/06/15/79/430061579.db2.gz BQJPAOSYXQSBNS-INIZCTEOSA-N -1 3 310.401 2.854 20 0 DFADHM O=C([O-])c1ccc(CN2CCC3(CCSCC3)CC2)nc1 ZINC000634696120 430083470 /nfs/dbraw/zinc/08/34/70/430083470.db2.gz KTZNLMQESNZGGR-UHFFFAOYSA-N -1 3 306.431 2.889 20 0 DFADHM Fc1ccc2cc(C[N-]c3nnc([C@@H]4CCCO4)o3)[nH]c2c1 ZINC000578272261 430120385 /nfs/dbraw/zinc/12/03/85/430120385.db2.gz XAKMEWURWJYBSH-ZDUSSCGKSA-N -1 3 302.309 3.154 20 0 DFADHM CC(C)C[C@](C)(CC(=O)[O-])C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000634849351 430134009 /nfs/dbraw/zinc/13/40/09/430134009.db2.gz AFYXHIJEASNHRP-CRAIPNDOSA-N -1 3 324.465 2.647 20 0 DFADHM O=C([O-])c1cc(F)ccc1CN1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000580652236 430143078 /nfs/dbraw/zinc/14/30/78/430143078.db2.gz DQFLGWFVAPHELW-GJZGRUSLSA-N -1 3 305.349 2.525 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cn(CC3CC3)nn2)c2c([O-])cccc21 ZINC000562539901 430144206 /nfs/dbraw/zinc/14/42/06/430144206.db2.gz ACCIDDZRUDEWIT-LLVKDONJSA-N -1 3 312.373 2.548 20 0 DFADHM 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COC(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)[n-]1 ZINC000331757647 277429994 /nfs/dbraw/zinc/42/99/94/277429994.db2.gz IDUKTNLWQMOHIP-QMMMGPOBSA-N -1 3 319.386 2.635 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C2CC2)s1 ZINC000582110941 430268849 /nfs/dbraw/zinc/26/88/49/430268849.db2.gz GRNPTTASJQNIOM-NEPJUHHUSA-N -1 3 300.449 2.556 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000567211975 430278760 /nfs/dbraw/zinc/27/87/60/430278760.db2.gz IIIBNWYDHDJFKA-QWHCGFSZSA-N -1 3 317.776 2.796 20 0 DFADHM Cc1ccc([O-])c(NC(=O)Cc2cc3ccccc3[nH]c2=O)n1 ZINC000544346118 430279473 /nfs/dbraw/zinc/27/94/73/430279473.db2.gz IWMBPSUZUNBYRW-UHFFFAOYSA-N -1 3 309.325 2.531 20 0 DFADHM Cn1[n-]c(CN[C@H](CC2CCCC2)c2ccccc2)nc1=O ZINC000544435015 430282832 /nfs/dbraw/zinc/28/28/32/430282832.db2.gz JDMNUMRHQUIWLS-OAHLLOKOSA-N -1 3 300.406 2.520 20 0 DFADHM CN(C(=O)c1cccc2[n-]nnc21)C1C2CC3CC(C2)CC1C3 ZINC000542821123 430228851 /nfs/dbraw/zinc/22/88/51/430228851.db2.gz 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ZINC000636425931 430542234 /nfs/dbraw/zinc/54/22/34/430542234.db2.gz MUZPMYSDZIBYMM-UHFFFAOYSA-N -1 3 315.369 2.641 20 0 DFADHM CN(Cc1ncccc1[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000571840798 430656444 /nfs/dbraw/zinc/65/64/44/430656444.db2.gz NTNFUNGJICMXLP-KRWDZBQOSA-N -1 3 311.429 2.884 20 0 DFADHM CN(Cc1ncccc1[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000571840798 430656446 /nfs/dbraw/zinc/65/64/46/430656446.db2.gz NTNFUNGJICMXLP-KRWDZBQOSA-N -1 3 311.429 2.884 20 0 DFADHM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc(C(F)F)[n-]n1 ZINC000639497784 430656961 /nfs/dbraw/zinc/65/69/61/430656961.db2.gz SVSIEQGFAFPMMT-UHFFFAOYSA-N -1 3 320.299 2.948 20 0 DFADHM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571893410 430659440 /nfs/dbraw/zinc/65/94/40/430659440.db2.gz BFUMHGHACYTSKD-CHWSQXEVSA-N -1 3 301.390 2.616 20 0 DFADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H]1CCCOC1 ZINC000571111778 430604578 /nfs/dbraw/zinc/60/45/78/430604578.db2.gz PKTVLWPYWCMJNG-LLVKDONJSA-N -1 3 313.357 2.692 20 0 DFADHM Cc1ccccc1OCCCN(C)C(=O)Cc1cncc([O-])c1 ZINC000553009636 430606562 /nfs/dbraw/zinc/60/65/62/430606562.db2.gz SVYFHGSXJXRTHF-UHFFFAOYSA-N -1 3 314.385 2.566 20 0 DFADHM O=C(Nc1cc2ccccn2n1)c1cc([O-])ccc1C(F)(F)F ZINC000553320522 430614555 /nfs/dbraw/zinc/61/45/55/430614555.db2.gz HYJWZTQQBDFAIA-UHFFFAOYSA-N -1 3 321.258 3.311 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccnn2CC2CCC2)n1 ZINC000639342890 430616452 /nfs/dbraw/zinc/61/64/52/430616452.db2.gz DVOMLWMGKOKHEB-UHFFFAOYSA-N -1 3 315.421 2.512 20 0 DFADHM CC[C@H]1c2ccsc2CCN1C(=O)Cc1cncc([O-])c1 ZINC000553427888 430616720 /nfs/dbraw/zinc/61/67/20/430616720.db2.gz RPYWWHYQCPSJNX-AWEZNQCLSA-N -1 3 302.399 2.927 20 0 DFADHM OC[C@@H]([N-]c1nnc(C2CC2)o1)c1ccc(C(F)(F)F)cc1 ZINC000553481119 430618050 /nfs/dbraw/zinc/61/80/50/430618050.db2.gz FGAKMMVVHZOTCK-LLVKDONJSA-N -1 3 313.279 3.111 20 0 DFADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1c[n-]c2ccncc2c1=O ZINC000553481846 430618066 /nfs/dbraw/zinc/61/80/66/430618066.db2.gz OJSHUUQVBXTHNM-BLLLJJGKSA-N -1 3 311.385 2.622 20 0 DFADHM O=c1c2c([n-]n1-c1ccccc1)CCN(Cc1ccccc1)C2 ZINC000643664056 430623031 /nfs/dbraw/zinc/62/30/31/430623031.db2.gz WPWYDKBESPJFTM-KRWDZBQOSA-N -1 3 305.381 2.911 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCOC[C@@H](C3CCC3)C2)c1 ZINC000553757268 430623455 /nfs/dbraw/zinc/62/34/55/430623455.db2.gz LFQRMXHOOAANSK-HNNXBMFYSA-N -1 3 303.402 2.843 20 0 DFADHM O=S(=O)(Cc1sccc1Cl)c1nc2c([n-]1)CCC2 ZINC000571494957 430632145 /nfs/dbraw/zinc/63/21/45/430632145.db2.gz QITMSYXNMPNWRA-UHFFFAOYSA-N -1 3 302.808 2.587 20 0 DFADHM C[C@@H]1CC[C@@H](CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)O1 ZINC000571570796 430637896 /nfs/dbraw/zinc/63/78/96/430637896.db2.gz JFXPBEHMNCYLSX-YPMHNXCESA-N -1 3 313.344 2.809 20 0 DFADHM CC(C)CCC1CCN([C@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC000643873708 430639077 /nfs/dbraw/zinc/63/90/77/430639077.db2.gz FPEIBXBZGZZAPH-INIZCTEOSA-N -1 3 324.465 2.600 20 0 DFADHM O=C(Nc1cnc2c(c1)CCCC2)c1cc(F)cc2[n-]nnc21 ZINC000554567353 430643613 /nfs/dbraw/zinc/64/36/13/430643613.db2.gz BZEORIVAWAIGQG-UHFFFAOYSA-N -1 3 311.320 2.623 20 0 DFADHM O=C(Nc1cnc2c(c1)CCCC2)c1cc(F)cc2nn[n-]c21 ZINC000554567353 430643616 /nfs/dbraw/zinc/64/36/16/430643616.db2.gz BZEORIVAWAIGQG-UHFFFAOYSA-N -1 3 311.320 2.623 20 0 DFADHM O=C(Nc1cnc2c(c1)CCCC2)c1cc(F)cc2n[n-]nc21 ZINC000554567353 430643618 /nfs/dbraw/zinc/64/36/18/430643618.db2.gz BZEORIVAWAIGQG-UHFFFAOYSA-N -1 3 311.320 2.623 20 0 DFADHM O=C(Nc1ccc(N2CCCCC2)cn1)c1cc(C(F)F)[n-]n1 ZINC000639529156 430664450 /nfs/dbraw/zinc/66/44/50/430664450.db2.gz JKYBHUMWCPHVTE-UHFFFAOYSA-N -1 3 321.331 2.985 20 0 DFADHM CCn1cc(CN(C)CC[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC000572048582 430668980 /nfs/dbraw/zinc/66/89/80/430668980.db2.gz LLDQMKQXULMOGK-INIZCTEOSA-N -1 3 301.390 2.593 20 0 DFADHM COc1cncc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC000572127544 430672962 /nfs/dbraw/zinc/67/29/62/430672962.db2.gz ISPZLULMYRITJY-AWEZNQCLSA-N -1 3 314.385 2.813 20 0 DFADHM COCc1cnc(C[N-]c2nnc(-c3ccc(C)s3)o2)s1 ZINC000556040668 430677979 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CC(C)c1ccsc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000330069479 278065057 /nfs/dbraw/zinc/06/50/57/278065057.db2.gz WGKPRCZNIIDIBA-UHFFFAOYSA-N -1 3 303.387 2.566 20 0 DFADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000377311970 278070201 /nfs/dbraw/zinc/07/02/01/278070201.db2.gz SXECLJALGTZXRS-LKFCYVNXSA-N -1 3 324.789 2.536 20 0 DFADHM C[C@H]1CCN(Cc2conc2Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000572483230 430688578 /nfs/dbraw/zinc/68/85/78/430688578.db2.gz VHHIMNQTEXPGLC-XJKSGUPXSA-N -1 3 314.385 2.808 20 0 DFADHM CCOCCCN(Cc1nc2ccccc2[nH]1)C[C@@H](C)C(=O)[O-] ZINC000572370309 430684944 /nfs/dbraw/zinc/68/49/44/430684944.db2.gz LTXTUTNSMGYPPJ-CYBMUJFWSA-N -1 3 319.405 2.512 20 0 DFADHM C[C@H]1CCN(Cc2c[nH]nc2-c2cccs2)C[C@@H]1C(=O)[O-] ZINC000572602175 430691696 /nfs/dbraw/zinc/69/16/96/430691696.db2.gz JUBQVBJSEUKBOY-JQWIXIFHSA-N -1 3 305.403 2.681 20 0 DFADHM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1cc(-c2ccco2)[n-]n1 ZINC000556945958 430696199 /nfs/dbraw/zinc/69/61/99/430696199.db2.gz ISCRLHBYUCWKAA-UHFFFAOYSA-N -1 3 309.285 2.504 20 0 DFADHM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1cc(-c2ccco2)n[n-]1 ZINC000556945958 430696200 /nfs/dbraw/zinc/69/62/00/430696200.db2.gz ISCRLHBYUCWKAA-UHFFFAOYSA-N -1 3 309.285 2.504 20 0 DFADHM COc1ccc2ncc(C(=O)[O-])c(N(C)C[C@H]3CCCO3)c2c1 ZINC000572964541 430698509 /nfs/dbraw/zinc/69/85/09/430698509.db2.gz OSNCWMOIQMXKNL-GFCCVEGCSA-N -1 3 316.357 2.557 20 0 DFADHM CC1(C)C[C@@H](NC(=O)c2csc(=O)[n-]2)c2ccccc2O1 ZINC000366238702 278368736 /nfs/dbraw/zinc/36/87/36/278368736.db2.gz AMXWQDPATYIPBM-SNVBAGLBSA-N -1 3 304.371 2.881 20 0 DFADHM CC(C)(C)N1C[C@H](CNCc2cccc([O-])c2Cl)CC1=O ZINC000657754871 430727981 /nfs/dbraw/zinc/72/79/81/430727981.db2.gz HJXVZACGCADXLW-NSHDSACASA-N -1 3 310.825 2.782 20 0 DFADHM c1c(CSc2n[n-]c(-c3ccccn3)n2)nn2c1CCCC2 ZINC000651190137 430730313 /nfs/dbraw/zinc/73/03/13/430730313.db2.gz DKSFKNWBCJTFBR-UHFFFAOYSA-N -1 3 312.402 2.692 20 0 DFADHM O=C([N-]c1nc2n(n1)CCCC2)c1ccc(C(F)(F)F)s1 ZINC000654578596 430742313 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CC(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC000436571369 297013857 /nfs/dbraw/zinc/01/38/57/297013857.db2.gz BEMSDWBTBIJFDS-CYBMUJFWSA-N -1 3 318.417 2.645 20 0 DFADHM CCCCOC1CCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000436577857 297014291 /nfs/dbraw/zinc/01/42/91/297014291.db2.gz VVVMQTXIWWAGDT-UHFFFAOYSA-N -1 3 307.390 2.822 20 0 DFADHM O=C(NCc1cccc(CO)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436585038 297015134 /nfs/dbraw/zinc/01/51/34/297015134.db2.gz OUVJLOYWNDNUIO-UHFFFAOYSA-N -1 3 311.381 2.693 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@]2(CCOC2)C1 ZINC000436584924 297015238 /nfs/dbraw/zinc/01/52/38/297015238.db2.gz KJKVKYVYRFWJLA-GOSISDBHSA-N -1 3 301.386 2.524 20 0 DFADHM COc1ccc(C(=O)N[C@H]2COc3ccc(Cl)cc32)c([O-])c1 ZINC000436591136 297015581 /nfs/dbraw/zinc/01/55/81/297015581.db2.gz VSQMMQNARJEFCS-ZDUSSCGKSA-N -1 3 319.744 2.918 20 0 DFADHM COCCN(C(=O)c1ccc(OC)cc1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000436598016 297016515 /nfs/dbraw/zinc/01/65/15/297016515.db2.gz XRBDDBGOJLNMQS-CHWSQXEVSA-N -1 3 307.390 2.678 20 0 DFADHM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000436596716 297016924 /nfs/dbraw/zinc/01/69/24/297016924.db2.gz RQCZXCHTYDFCQY-MOPGFXCFSA-N -1 3 323.392 2.659 20 0 DFADHM COc1cc(OC)c(OC)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000436599369 297017037 /nfs/dbraw/zinc/01/70/37/297017037.db2.gz XNYQKAUYYJJANU-UHFFFAOYSA-N -1 3 317.341 2.979 20 0 DFADHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@@H]1CCSC1 ZINC000436604040 297017595 /nfs/dbraw/zinc/01/75/95/297017595.db2.gz IGGVLSKDHJGFTQ-LLVKDONJSA-N -1 3 307.415 2.683 20 0 DFADHM COc1cc2c(cc1CNC(=O)c1ccccc1[O-])O[C@@H](C)C2 ZINC000436611515 297018072 /nfs/dbraw/zinc/01/80/72/297018072.db2.gz YJLSBOQCHRTUSW-NSHDSACASA-N -1 3 313.353 2.654 20 0 DFADHM CC[C@H](CNC(=O)c1ccc(O)cc1[O-])Oc1cccc(C)c1 ZINC000436626285 297019124 /nfs/dbraw/zinc/01/91/24/297019124.db2.gz PAIMDKAYJRRCBD-CQSZACIVSA-N -1 3 315.369 2.994 20 0 DFADHM CC[C@@H](CNC(=O)c1ccc(O)cc1[O-])Oc1cccc(C)c1 ZINC000436626283 297019141 /nfs/dbraw/zinc/01/91/41/297019141.db2.gz PAIMDKAYJRRCBD-AWEZNQCLSA-N -1 3 315.369 2.994 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCc2c(F)ccc(F)c2C1 ZINC000436627518 297019310 /nfs/dbraw/zinc/01/93/10/297019310.db2.gz UBWDJRNYUDNLQS-UHFFFAOYSA-N -1 3 305.280 2.575 20 0 DFADHM C[C@@H]1CSC[C@@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436631795 297019637 /nfs/dbraw/zinc/01/96/37/297019637.db2.gz WXPUUROYNSJZSZ-SKDRFNHKSA-N -1 3 307.415 2.587 20 0 DFADHM CCC[C@@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)OC(C)(C)C ZINC000436639612 297019950 /nfs/dbraw/zinc/01/99/50/297019950.db2.gz DVFLKBVAUVFPFZ-CYBMUJFWSA-N -1 3 323.389 2.641 20 0 DFADHM Cc1ccc2c(CCNC(=O)c3c([O-])cccc3O)c[nH]c2c1 ZINC000436645593 297020484 /nfs/dbraw/zinc/02/04/84/297020484.db2.gz BQXHGWQBJYGRRL-UHFFFAOYSA-N -1 3 310.353 2.860 20 0 DFADHM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1c([O-])cccc1O ZINC000436645827 297020563 /nfs/dbraw/zinc/02/05/63/297020563.db2.gz DVWWRFNVDLLOQF-QAPCUYQASA-N -1 3 313.353 2.566 20 0 DFADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1c([O-])cccc1O ZINC000436645196 297020637 /nfs/dbraw/zinc/02/06/37/297020637.db2.gz BIDTVVQDQVOTQO-AWEZNQCLSA-N -1 3 313.353 2.914 20 0 DFADHM O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1c([O-])cccc1O ZINC000436646134 297021039 /nfs/dbraw/zinc/02/10/39/297021039.db2.gz GHWJDYBYHPNFNX-GFCCVEGCSA-N -1 3 317.316 2.881 20 0 DFADHM CSc1ccc(F)cc1CNC(=O)c1c([O-])cccc1O ZINC000436647395 297021163 /nfs/dbraw/zinc/02/11/63/297021163.db2.gz KEQIXVYPLPLMPD-UHFFFAOYSA-N -1 3 307.346 2.889 20 0 DFADHM CC[C@@H](CNC(=O)c1c([O-])cccc1O)Oc1cccc(C)c1 ZINC000436648875 297021659 /nfs/dbraw/zinc/02/16/59/297021659.db2.gz SFLDFDRPWCBSME-ZDUSSCGKSA-N -1 3 315.369 2.994 20 0 DFADHM C[C@@H]1COCC[C@H]1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436656748 297021944 /nfs/dbraw/zinc/02/19/44/297021944.db2.gz GYPNBZFFXVCPKX-YPMHNXCESA-N -1 3 319.401 2.508 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000436670670 297023713 /nfs/dbraw/zinc/02/37/13/297023713.db2.gz RWUFWQQASQHKHJ-HNNXBMFYSA-N -1 3 323.352 2.951 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)c([O-])c1 ZINC000436696085 297025516 /nfs/dbraw/zinc/02/55/16/297025516.db2.gz HQMBFQHQTLCXJS-CABCVRRESA-N -1 3 307.390 2.723 20 0 DFADHM COc1cc(-c2noc(/C=C\c3cncc([O-])c3)n2)ccc1O ZINC000436691493 297025718 /nfs/dbraw/zinc/02/57/18/297025718.db2.gz UNLBDKMDSTUBCE-DJWKRKHSSA-N -1 3 311.297 2.722 20 0 DFADHM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000436703554 297026184 /nfs/dbraw/zinc/02/61/84/297026184.db2.gz FBCBJPAOEGBKGI-CYBMUJFWSA-N -1 3 314.360 2.930 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(Cn3ccnc3)cn2)c([O-])c1 ZINC000436698356 297026197 /nfs/dbraw/zinc/02/61/97/297026197.db2.gz NKOGZUNBHGMXOG-UHFFFAOYSA-N -1 3 322.368 2.847 20 0 DFADHM COc1ccc(C(=O)N[C@H]2c3ccc(F)cc3O[C@@H]2C)c([O-])c1 ZINC000436745771 297031067 /nfs/dbraw/zinc/03/10/67/297031067.db2.gz VVSJZWPKHSEKTN-JDNHERCYSA-N -1 3 317.316 2.792 20 0 DFADHM CCN1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436749109 297031526 /nfs/dbraw/zinc/03/15/26/297031526.db2.gz AFTIXUYXDWTXCS-LLVKDONJSA-N -1 3 316.323 2.625 20 0 DFADHM COCCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436755623 297031905 /nfs/dbraw/zinc/03/19/05/297031905.db2.gz NKIRNJPWPRJSSK-UHFFFAOYSA-N -1 3 301.342 2.951 20 0 DFADHM O=C(NC[C@H]1CCCO1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436755514 297031949 /nfs/dbraw/zinc/03/19/49/297031949.db2.gz NKCYAJXRAMHRNZ-MRXNPFEDSA-N -1 3 311.381 2.892 20 0 DFADHM C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCN1C ZINC000436754545 297032033 /nfs/dbraw/zinc/03/20/33/297032033.db2.gz ZJJGAEZRMANFGL-KOLCDFICSA-N -1 3 316.323 2.624 20 0 DFADHM COc1cccc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)c1[O-] ZINC000436718521 297027868 /nfs/dbraw/zinc/02/78/68/297027868.db2.gz XCELMOYMCQPRAC-UHFFFAOYSA-N -1 3 324.336 2.505 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cccc(CCCO)c2)c1[O-] ZINC000436723268 297028321 /nfs/dbraw/zinc/02/83/21/297028321.db2.gz PWFAGHTTWFIDNX-UHFFFAOYSA-N -1 3 315.369 2.886 20 0 DFADHM Cc1ccc([O-])c(C(=O)NC[C@@H](C)N2CCc3ccccc32)c1 ZINC000436726747 297028870 /nfs/dbraw/zinc/02/88/70/297028870.db2.gz YYDSKBGXLFKQRJ-CQSZACIVSA-N -1 3 310.397 2.882 20 0 DFADHM CCNC(=O)C1(CNC(=O)c2ccc(C(C)C)cc2[O-])CCC1 ZINC000436727816 297028997 /nfs/dbraw/zinc/02/89/97/297028997.db2.gz CTTYMDBNSJFZJY-UHFFFAOYSA-N -1 3 318.417 2.552 20 0 DFADHM O=C(c1ccccc1[O-])N(Cc1ccccc1)CC1(CO)CC1 ZINC000436728769 297029073 /nfs/dbraw/zinc/02/90/73/297029073.db2.gz CTPSCXLJJNCRKV-UHFFFAOYSA-N -1 3 311.381 2.807 20 0 DFADHM COCCN(C(=O)c1cccc(OC)c1[O-])[C@@H]1CCC[C@@H]1C ZINC000436730939 297029381 /nfs/dbraw/zinc/02/93/81/297029381.db2.gz IZUUPVFECZBBRB-GXTWGEPZSA-N -1 3 307.390 2.678 20 0 DFADHM CC[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])C(C)(C)C ZINC000436736747 297029824 /nfs/dbraw/zinc/02/98/24/297029824.db2.gz HFXOAWAJHMGPBN-HNNXBMFYSA-N -1 3 320.433 2.761 20 0 DFADHM COCCOc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cn1 ZINC000436763674 297032534 /nfs/dbraw/zinc/03/25/34/297032534.db2.gz YYWISAULXYCDRL-UHFFFAOYSA-N -1 3 316.357 2.682 20 0 DFADHM CC(C)NC(=O)CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436757703 297032563 /nfs/dbraw/zinc/03/25/63/297032563.db2.gz WQISOKHCWWPMCS-UHFFFAOYSA-N -1 3 320.433 2.893 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCCc2nnc(C(C)C)s2)c1 ZINC000436770247 297033472 /nfs/dbraw/zinc/03/34/72/297033472.db2.gz NXAOPUQDRGMPCX-UHFFFAOYSA-N -1 3 305.403 2.648 20 0 DFADHM COc1cccc(C(=O)NCc2nccn2-c2ccccc2)c1[O-] ZINC000436791418 297034205 /nfs/dbraw/zinc/03/42/05/297034205.db2.gz KEYVKBWMOJUIBY-UHFFFAOYSA-N -1 3 323.352 2.517 20 0 DFADHM C[C@H]1C[C@H]1N1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](C)C1 ZINC000436796921 297035138 /nfs/dbraw/zinc/03/51/38/297035138.db2.gz XZEKPMMZLPUFTA-SLEUVZQESA-N -1 3 322.836 2.848 20 0 DFADHM CCc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)c([O-])c1 ZINC000436803028 297035597 /nfs/dbraw/zinc/03/55/97/297035597.db2.gz LUZVSEVZHMYKGM-ZDUSSCGKSA-N -1 3 313.353 2.524 20 0 DFADHM CCN(CCNC(=O)c1c([O-])cccc1F)CCC(F)(F)F ZINC000436800945 297035605 /nfs/dbraw/zinc/03/56/05/297035605.db2.gz YVZIDIUGXIRCKD-UHFFFAOYSA-N -1 3 322.302 2.535 20 0 DFADHM CCc1ccc(C(=O)N(CCOC)Cc2cncs2)c([O-])c1 ZINC000436803465 297035679 /nfs/dbraw/zinc/03/56/79/297035679.db2.gz KQLQBMYKLIJMRK-UHFFFAOYSA-N -1 3 320.414 2.700 20 0 DFADHM CCOC(=O)CN(C(=O)c1ccc(C)c(C)c1[O-])C1CCC1 ZINC000436814630 297036668 /nfs/dbraw/zinc/03/66/68/297036668.db2.gz IMKZHTQDQODSRW-UHFFFAOYSA-N -1 3 305.374 2.567 20 0 DFADHM CO[C@H](CCNC(=O)c1ccc(C)c(C)c1[O-])C(F)(F)F ZINC000436816209 297036726 /nfs/dbraw/zinc/03/67/26/297036726.db2.gz NHVRTOKEXIQTTR-LLVKDONJSA-N -1 3 305.296 2.706 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)CCC2CC2)c([O-])c1 ZINC000436819641 297036979 /nfs/dbraw/zinc/03/69/79/297036979.db2.gz DRMUEFGXHBCUMF-ZDUSSCGKSA-N -1 3 318.417 2.515 20 0 DFADHM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])CCCN1C ZINC000436824790 297037565 /nfs/dbraw/zinc/03/75/65/297037565.db2.gz DBGRIWGLICRTQE-KWQFWETISA-N -1 3 317.216 2.912 20 0 DFADHM CCc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2)c([O-])c1 ZINC000436824172 297037712 /nfs/dbraw/zinc/03/77/12/297037712.db2.gz FTHAUNNVHLCAFG-OAHLLOKOSA-N -1 3 310.397 2.963 20 0 DFADHM CCc1ccc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)c([O-])c1 ZINC000436828481 297038079 /nfs/dbraw/zinc/03/80/79/297038079.db2.gz IDBMPSXNXBSRRW-CYBMUJFWSA-N -1 3 311.381 2.885 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](C)C(=O)Cc2ccccc2)c([O-])c1 ZINC000436828483 297038237 /nfs/dbraw/zinc/03/82/37/297038237.db2.gz IDBMPSXNXBSRRW-ZDUSSCGKSA-N -1 3 311.381 2.885 20 0 DFADHM Cc1nnc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1C ZINC000436833664 297038621 /nfs/dbraw/zinc/03/86/21/297038621.db2.gz WPRMKFHOQFPRHR-UHFFFAOYSA-N -1 3 324.340 2.874 20 0 DFADHM C[C@]1(NC(=O)c2cc3c(cc2[O-])CCCC3)CCO[C@@H]1C1CC1 ZINC000436841236 297039162 /nfs/dbraw/zinc/03/91/62/297039162.db2.gz TWIQILMFACFEFV-MJGOQNOKSA-N -1 3 315.413 2.958 20 0 DFADHM Cc1ccc(C(=O)NC[C@@H](O)CCc2ccccc2)c([O-])c1C ZINC000436842440 297039272 /nfs/dbraw/zinc/03/92/72/297039272.db2.gz 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C[C@@H](NC(=O)c1ccc(F)cc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000436909085 297043870 /nfs/dbraw/zinc/04/38/70/297043870.db2.gz XROMNBSNZALDOB-PXAZEXFGSA-N -1 3 316.376 2.953 20 0 DFADHM COc1cccc(C(=O)Nc2ccc(CO)c(Cl)c2)c1[O-] ZINC000436914460 297044557 /nfs/dbraw/zinc/04/45/57/297044557.db2.gz JHUXEEIATIQKEZ-UHFFFAOYSA-N -1 3 307.733 2.799 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)c2cccc(OC)c2[O-])C12CCCC2 ZINC000436918277 297044890 /nfs/dbraw/zinc/04/48/90/297044890.db2.gz FVQDLYKCCKWUTG-LSDHHAIUSA-N -1 3 319.401 2.868 20 0 DFADHM Cc1cccc2nc(CNC(=O)c3ccc([O-])c(C)c3)n(C)c21 ZINC000436926100 297045280 /nfs/dbraw/zinc/04/52/80/297045280.db2.gz MCGJJLPFEQKWIS-UHFFFAOYSA-N -1 3 309.369 2.826 20 0 DFADHM CC(C)c1ccc(C(=O)NCc2ncccc2N(C)C)c([O-])c1 ZINC000436932370 297045977 /nfs/dbraw/zinc/04/59/77/297045977.db2.gz OXZVVIJZMKBKMS-UHFFFAOYSA-N -1 3 313.401 2.907 20 0 DFADHM COC(=O)C[C@@H](NC(=O)c1ccc([O-])c(C)c1)C1CCCCC1 ZINC000436931340 297045995 /nfs/dbraw/zinc/04/59/95/297045995.db2.gz 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COc1cc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)ccc1O ZINC000438103085 297080202 /nfs/dbraw/zinc/08/02/02/297080202.db2.gz KFKWDRUPYXVIBR-UHFFFAOYSA-N -1 3 313.313 2.945 20 0 DFADHM COc1cc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)ccc1O ZINC000438103085 297080203 /nfs/dbraw/zinc/08/02/03/297080203.db2.gz KFKWDRUPYXVIBR-UHFFFAOYSA-N -1 3 313.313 2.945 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)c1 ZINC000155346505 295317148 /nfs/dbraw/zinc/31/71/48/295317148.db2.gz BXLZWSDQPZBCBF-UHFFFAOYSA-N -1 3 324.340 2.747 20 0 DFADHM O=C(c1cc2ccccc2c(=O)[nH]1)N1CCCc2cccc([O-])c21 ZINC000155586723 295321405 /nfs/dbraw/zinc/32/14/05/295321405.db2.gz LDBHPOIHOFVHSN-UHFFFAOYSA-N -1 3 320.348 2.827 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-]CC1CCC(C)CC1 ZINC000155787109 295325813 /nfs/dbraw/zinc/32/58/13/295325813.db2.gz NMYMPDBOBDNEQF-UHFFFAOYSA-N -1 3 303.449 2.861 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)[C@@H]1CCCO1 ZINC000157831426 295354183 /nfs/dbraw/zinc/35/41/83/295354183.db2.gz 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301466970 /nfs/dbraw/zinc/46/69/70/301466970.db2.gz LFDNATUTKVNEPE-UHFFFAOYSA-N -1 3 304.346 2.889 20 0 DFADHM CCCCCS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000546068630 301491055 /nfs/dbraw/zinc/49/10/55/301491055.db2.gz MPLGZUYRQVLPCX-UHFFFAOYSA-N -1 3 319.467 2.751 20 0 DFADHM Cc1ccc(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000171885583 301494005 /nfs/dbraw/zinc/49/40/05/301494005.db2.gz PCIVINVYDQXURO-GFCCVEGCSA-N -1 3 322.405 2.686 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(-c2noc([C@@H]3C[C@@H]3C3CC3)n2)cc1 ZINC000547045003 301517953 /nfs/dbraw/zinc/51/79/53/301517953.db2.gz SGUIHLFMCXVJMW-CHWSQXEVSA-N -1 3 319.386 2.622 20 0 DFADHM [O-]c1c(-c2nc(Cc3ccncn3)no2)ccc2c1CCCC2 ZINC000547209771 301521156 /nfs/dbraw/zinc/52/11/56/301521156.db2.gz SIVMTEOYPNEHRG-UHFFFAOYSA-N -1 3 308.341 2.702 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NC[C@@H]3CCSC3)c([O-])c2O1 ZINC000547739222 301540647 /nfs/dbraw/zinc/54/06/47/301540647.db2.gz SPLAUIQXBMMLKQ-JTQLQIEISA-N -1 3 307.415 2.589 20 0 DFADHM 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CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000513791672 317704365 /nfs/dbraw/zinc/70/43/65/317704365.db2.gz SEMUQOQSROGOLJ-ZIAGYGMSSA-N -1 3 313.467 2.957 20 0 DFADHM CC1(C)CCc2sc(NC(=O)Cc3cncc([O-])c3)nc21 ZINC000514739751 317708785 /nfs/dbraw/zinc/70/87/85/317708785.db2.gz WNPYBBYQCBIXAL-UHFFFAOYSA-N -1 3 303.387 2.649 20 0 DFADHM CCc1ccc(C(=O)NCc2c(C)nn(CC)c2C)c([O-])c1 ZINC000527292869 317743909 /nfs/dbraw/zinc/74/39/09/317743909.db2.gz DASMAQXCTNSWPY-UHFFFAOYSA-N -1 3 301.390 2.718 20 0 DFADHM O=C(N[C@@H](c1ccccn1)C1CCC1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000529832381 317762929 /nfs/dbraw/zinc/76/29/29/317762929.db2.gz PWPDYOBRPUMWPH-MRXNPFEDSA-N -1 3 322.368 2.935 20 0 DFADHM CO[C@@H](CS(=O)(=O)[N-]c1cncc(C)c1)c1ccc(F)cc1 ZINC000530152202 317772966 /nfs/dbraw/zinc/77/29/66/317772966.db2.gz BJDLRKKENIEKNO-HNNXBMFYSA-N -1 3 324.377 2.659 20 0 DFADHM CCCCC[C@@H]1CCCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000532018689 317805361 /nfs/dbraw/zinc/80/53/61/317805361.db2.gz 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CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000575119849 318064718 /nfs/dbraw/zinc/06/47/18/318064718.db2.gz WLYAXCKVTVIKDR-GOEBONIOSA-N -1 3 322.368 2.643 20 0 DFADHM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000575119849 318064720 /nfs/dbraw/zinc/06/47/20/318064720.db2.gz WLYAXCKVTVIKDR-GOEBONIOSA-N -1 3 322.368 2.643 20 0 DFADHM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000575119849 318064723 /nfs/dbraw/zinc/06/47/23/318064723.db2.gz WLYAXCKVTVIKDR-GOEBONIOSA-N -1 3 322.368 2.643 20 0 DFADHM O=C([O-])c1cc(F)ccc1CN1CCOC[C@H](C2CCC2)C1 ZINC000575755438 318081722 /nfs/dbraw/zinc/08/17/22/318081722.db2.gz ORTSZCDCHOLTKM-CQSZACIVSA-N -1 3 307.365 2.772 20 0 DFADHM CC1(C)OCC[C@@H]1NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000575988059 318096488 /nfs/dbraw/zinc/09/64/88/318096488.db2.gz ABMPEDJTPMVFEC-LBPRGKRZSA-N -1 3 313.357 2.739 20 0 DFADHM Cc1oc(CN(C)C[C@@H](O)CCc2ccccc2)cc1C(=O)[O-] ZINC000575995093 318097236 /nfs/dbraw/zinc/09/72/36/318097236.db2.gz 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3 300.366 2.663 20 0 DFADHM C[C@H]1CCCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736266457 598919892 /nfs/dbraw/zinc/91/98/92/598919892.db2.gz HWKJOBGCHMULPZ-NSHDSACASA-N -1 3 300.366 2.663 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCCC[C@H]1C ZINC000737290004 598923656 /nfs/dbraw/zinc/92/36/56/598923656.db2.gz ASRJEUIIHUQXFU-GFCCVEGCSA-N -1 3 314.393 2.972 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCCC[C@H]1C ZINC000737290004 598923657 /nfs/dbraw/zinc/92/36/57/598923657.db2.gz ASRJEUIIHUQXFU-GFCCVEGCSA-N -1 3 314.393 2.972 20 0 DFADHM CC(C)CN(C(=O)C1CC=CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819136 598939616 /nfs/dbraw/zinc/93/96/16/598939616.db2.gz UAEYOANCSDXQTJ-UHFFFAOYSA-N -1 3 311.389 2.822 20 0 DFADHM CC(C)CN(C(=O)C1CC=CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819136 598939617 /nfs/dbraw/zinc/93/96/17/598939617.db2.gz UAEYOANCSDXQTJ-UHFFFAOYSA-N -1 3 311.389 2.822 20 0 DFADHM CC(C)N(C(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC000735851300 598940687 /nfs/dbraw/zinc/94/06/87/598940687.db2.gz 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599016531 /nfs/dbraw/zinc/01/65/31/599016531.db2.gz SQSVFJQOWUPDMX-CHWSQXEVSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@@H]1CCC[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736253066 599016533 /nfs/dbraw/zinc/01/65/33/599016533.db2.gz SQSVFJQOWUPDMX-CHWSQXEVSA-N -1 3 313.405 2.813 20 0 DFADHM Cc1cccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737388047 599018832 /nfs/dbraw/zinc/01/88/32/599018832.db2.gz KHXUVIHDSWOITI-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737388047 599018834 /nfs/dbraw/zinc/01/88/34/599018834.db2.gz KHXUVIHDSWOITI-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1c(NCc2nc3ccccc3o2)cccc1-c1nnn[n-]1 ZINC000822122855 607257597 /nfs/dbraw/zinc/25/75/97/607257597.db2.gz RECOXYAXVVEUBO-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1c(NCc2nc3ccccc3o2)cccc1-c1nn[n-]n1 ZINC000822122855 607257598 /nfs/dbraw/zinc/25/75/98/607257598.db2.gz RECOXYAXVVEUBO-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ccccc2)n1 ZINC000737636530 599037819 /nfs/dbraw/zinc/03/78/19/599037819.db2.gz VNOGGIUYOKSBHO-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2ccccc2)n1 ZINC000737636530 599037822 /nfs/dbraw/zinc/03/78/22/599037822.db2.gz VNOGGIUYOKSBHO-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM CC1(C)[C@H](Nc2ccc(F)cc2-c2nnn[n-]2)[C@@H]2CCCO[C@@H]21 ZINC000820583016 599041647 /nfs/dbraw/zinc/04/16/47/599041647.db2.gz AXTIZKLVUFPANU-GDLCADMTSA-N -1 3 317.368 2.621 20 0 DFADHM CC1(C)[C@H](Nc2ccc(F)cc2-c2nn[n-]n2)[C@@H]2CCCO[C@@H]21 ZINC000820583016 599041649 /nfs/dbraw/zinc/04/16/49/599041649.db2.gz AXTIZKLVUFPANU-GDLCADMTSA-N -1 3 317.368 2.621 20 0 DFADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CC1 ZINC000736024886 599048845 /nfs/dbraw/zinc/04/88/45/599048845.db2.gz AZHFXSZDCUXHJU-ZETCQYMHSA-N -1 3 312.299 2.739 20 0 DFADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CC1 ZINC000736024886 599048848 /nfs/dbraw/zinc/04/88/48/599048848.db2.gz AZHFXSZDCUXHJU-ZETCQYMHSA-N -1 3 312.299 2.739 20 0 DFADHM Fc1cccc(N2CCOC3(CCCCC3)C2)c1-c1nnn[n-]1 ZINC000822791219 599055564 /nfs/dbraw/zinc/05/55/64/599055564.db2.gz FJYWNYYCLGAEMR-UHFFFAOYSA-N -1 3 317.368 2.545 20 0 DFADHM Fc1cccc(N2CCOC3(CCCCC3)C2)c1-c1nn[n-]n1 ZINC000822791219 599055567 /nfs/dbraw/zinc/05/55/67/599055567.db2.gz FJYWNYYCLGAEMR-UHFFFAOYSA-N -1 3 317.368 2.545 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCOC2(CCCCC2)C1 ZINC000822743795 599055704 /nfs/dbraw/zinc/05/57/04/599055704.db2.gz FYNMYVIWJSQWIP-UHFFFAOYSA-N -1 3 317.368 2.545 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N(CC1CC1)CC1CC1 ZINC000737565679 599064129 /nfs/dbraw/zinc/06/41/29/599064129.db2.gz VWMXWQWXISZGPY-UHFFFAOYSA-N -1 3 304.785 2.542 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N(CC1CC1)CC1CC1 ZINC000737565679 599064132 /nfs/dbraw/zinc/06/41/32/599064132.db2.gz VWMXWQWXISZGPY-UHFFFAOYSA-N -1 3 304.785 2.542 20 0 DFADHM CC[C@@H](C)C[C@H](C)Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000820870566 599067906 /nfs/dbraw/zinc/06/79/06/599067906.db2.gz VHWFKILTBKKTOB-MNOVXSKESA-N -1 3 300.410 2.987 20 0 DFADHM CC[C@@H](C)C[C@H](C)Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000820870566 599067910 /nfs/dbraw/zinc/06/79/10/599067910.db2.gz VHWFKILTBKKTOB-MNOVXSKESA-N -1 3 300.410 2.987 20 0 DFADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(F)cc1 ZINC000820275408 599066837 /nfs/dbraw/zinc/06/68/37/599066837.db2.gz PZNFYQAYLBHKKR-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM CCCN1CCC[C@@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737031094 599771818 /nfs/dbraw/zinc/77/18/18/599771818.db2.gz YDJRACNVJPQZBV-OAHLLOKOSA-N -1 3 304.390 2.517 20 0 DFADHM CC[C@]1(C)CCCN(c2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000820950147 599089335 /nfs/dbraw/zinc/08/93/35/599089335.db2.gz JZLQZJVEAKPTAE-MRXNPFEDSA-N -1 3 300.410 2.895 20 0 DFADHM CC[C@]1(C)CCCN(c2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC000820950147 599089336 /nfs/dbraw/zinc/08/93/36/599089336.db2.gz JZLQZJVEAKPTAE-MRXNPFEDSA-N -1 3 300.410 2.895 20 0 DFADHM CC[C@@]1(C)CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820949961 599089916 /nfs/dbraw/zinc/08/99/16/599089916.db2.gz IDRMUINDQYFUHI-AWEZNQCLSA-N -1 3 306.801 2.932 20 0 DFADHM CC[C@@]1(C)CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820949961 599089917 /nfs/dbraw/zinc/08/99/17/599089917.db2.gz IDRMUINDQYFUHI-AWEZNQCLSA-N -1 3 306.801 2.932 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC2(CCCC2)C1 ZINC000822563953 599093875 /nfs/dbraw/zinc/09/38/75/599093875.db2.gz RTZHEXUPOAKHMG-UHFFFAOYSA-N -1 3 304.785 2.686 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC2(CCCC2)C1 ZINC000822563953 599093878 /nfs/dbraw/zinc/09/38/78/599093878.db2.gz RTZHEXUPOAKHMG-UHFFFAOYSA-N -1 3 304.785 2.686 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738018432 599096052 /nfs/dbraw/zinc/09/60/52/599096052.db2.gz ARRYYQICRBQQQW-HUUCEWRRSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738018432 599096054 /nfs/dbraw/zinc/09/60/54/599096054.db2.gz ARRYYQICRBQQQW-HUUCEWRRSA-N -1 3 311.389 2.565 20 0 DFADHM CC[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CCS1 ZINC000820993904 599101569 /nfs/dbraw/zinc/10/15/69/599101569.db2.gz BUAPSDLAAOARII-JTQLQIEISA-N -1 3 309.826 2.852 20 0 DFADHM CC[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CCS1 ZINC000820993904 599101572 /nfs/dbraw/zinc/10/15/72/599101572.db2.gz BUAPSDLAAOARII-JTQLQIEISA-N -1 3 309.826 2.852 20 0 DFADHM CCC[C@H](CCO)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821023328 599104149 /nfs/dbraw/zinc/10/41/49/599104149.db2.gz XYELCAJYVBUHFG-SNVBAGLBSA-N -1 3 309.801 2.731 20 0 DFADHM CCC[C@H](CCO)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821023328 599104152 /nfs/dbraw/zinc/10/41/52/599104152.db2.gz XYELCAJYVBUHFG-SNVBAGLBSA-N -1 3 309.801 2.731 20 0 DFADHM CCC[C@]1(C)CCCN(c2nnc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821028019 599110253 /nfs/dbraw/zinc/11/02/53/599110253.db2.gz RPVAEKJBMGIXBO-MRXNPFEDSA-N -1 3 315.425 2.680 20 0 DFADHM CCC[C@]1(C)CCCN(c2nnc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821028019 599110255 /nfs/dbraw/zinc/11/02/55/599110255.db2.gz RPVAEKJBMGIXBO-MRXNPFEDSA-N -1 3 315.425 2.680 20 0 DFADHM CCC(CC)(CC)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736335364 599116707 /nfs/dbraw/zinc/11/67/07/599116707.db2.gz QLGKXIJRJQFJLL-UHFFFAOYSA-N -1 3 302.382 2.957 20 0 DFADHM CCC(CC)(CC)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736335364 599116709 /nfs/dbraw/zinc/11/67/09/599116709.db2.gz QLGKXIJRJQFJLL-UHFFFAOYSA-N -1 3 302.382 2.957 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)c(CSC[C@H]2CCCOC2)c1 ZINC000822757690 607258610 /nfs/dbraw/zinc/25/86/10/607258610.db2.gz DAOAHRLLHNYVLA-JTQLQIEISA-N -1 3 308.382 2.666 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)c(CSC[C@H]2CCCOC2)c1 ZINC000822757690 607258611 /nfs/dbraw/zinc/25/86/11/607258611.db2.gz DAOAHRLLHNYVLA-JTQLQIEISA-N -1 3 308.382 2.666 20 0 DFADHM Cc1c2c(nc(SCC3CCC3)c1-c1nnn[n-]1)CCC2 ZINC000822129561 599123114 /nfs/dbraw/zinc/12/31/14/599123114.db2.gz LENKOQDXFQZVCD-UHFFFAOYSA-N -1 3 301.419 2.951 20 0 DFADHM Cc1c2c(nc(SCC3CCC3)c1-c1nn[n-]n1)CCC2 ZINC000822129561 599123116 /nfs/dbraw/zinc/12/31/16/599123116.db2.gz LENKOQDXFQZVCD-UHFFFAOYSA-N -1 3 301.419 2.951 20 0 DFADHM CCOCCCN(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736616244 599133670 /nfs/dbraw/zinc/13/36/70/599133670.db2.gz QOURKSZNUROCGG-UHFFFAOYSA-N -1 3 303.410 2.756 20 0 DFADHM C/C(=C\C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000819765428 599139329 /nfs/dbraw/zinc/13/93/29/599139329.db2.gz PZLSYMGDSYHPEB-ZRDIBKRKSA-N -1 3 313.405 2.818 20 0 DFADHM C/C(=C\C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000819765428 599139331 /nfs/dbraw/zinc/13/93/31/599139331.db2.gz PZLSYMGDSYHPEB-ZRDIBKRKSA-N -1 3 313.405 2.818 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1CCC1 ZINC000821099870 599141311 /nfs/dbraw/zinc/14/13/11/599141311.db2.gz QAJMFZFCLXBMCU-UHFFFAOYSA-N -1 3 313.405 2.796 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC1CCC1 ZINC000821099870 599141313 /nfs/dbraw/zinc/14/13/13/599141313.db2.gz QAJMFZFCLXBMCU-UHFFFAOYSA-N -1 3 313.405 2.796 20 0 DFADHM CCN(C(=O)CC1CCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149166 599143826 /nfs/dbraw/zinc/14/38/26/599143826.db2.gz UAHJXLQJDOHQGQ-GFCCVEGCSA-N -1 3 313.405 2.966 20 0 DFADHM CCN(C(=O)CC1CCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149166 599143827 /nfs/dbraw/zinc/14/38/27/599143827.db2.gz UAHJXLQJDOHQGQ-GFCCVEGCSA-N -1 3 313.405 2.966 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1COc1ccc(Cl)nc1 ZINC000822744372 607259107 /nfs/dbraw/zinc/25/91/07/607259107.db2.gz QZABMYRWLNHWRO-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1COc1ccc(Cl)nc1 ZINC000822744372 607259108 /nfs/dbraw/zinc/25/91/08/607259108.db2.gz QZABMYRWLNHWRO-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM CC(=CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819764830 599150380 /nfs/dbraw/zinc/15/03/80/599150380.db2.gz LJCLCVQONZYWIC-CLFYSBASSA-N -1 3 303.341 2.937 20 0 DFADHM C/C(=C/C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819764830 599150381 /nfs/dbraw/zinc/15/03/81/599150381.db2.gz LJCLCVQONZYWIC-CLFYSBASSA-N -1 3 303.341 2.937 20 0 DFADHM CCCCOC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000821071434 599347536 /nfs/dbraw/zinc/34/75/36/599347536.db2.gz DXYSXQQOTAGPPF-JTQLQIEISA-N -1 3 306.391 2.691 20 0 DFADHM CCCCOC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000821071434 599347539 /nfs/dbraw/zinc/34/75/39/599347539.db2.gz DXYSXQQOTAGPPF-JTQLQIEISA-N -1 3 306.391 2.691 20 0 DFADHM CC[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736401893 599155793 /nfs/dbraw/zinc/15/57/93/599155793.db2.gz ZROZPCJZWMABHI-SMDDNHRTSA-N -1 3 300.362 2.992 20 0 DFADHM CC[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736401893 599155796 /nfs/dbraw/zinc/15/57/96/599155796.db2.gz ZROZPCJZWMABHI-SMDDNHRTSA-N -1 3 300.362 2.992 20 0 DFADHM CC[C@@H]1CCC[C@@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736400855 599155924 /nfs/dbraw/zinc/15/59/24/599155924.db2.gz SSZJDUVBJUWVRD-IUODEOHRSA-N -1 3 314.389 2.921 20 0 DFADHM CC[C@@H]1CCC[C@@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736400855 599155927 /nfs/dbraw/zinc/15/59/27/599155927.db2.gz SSZJDUVBJUWVRD-IUODEOHRSA-N -1 3 314.389 2.921 20 0 DFADHM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737419941 599161410 /nfs/dbraw/zinc/16/14/10/599161410.db2.gz GSNDNOVOVKFODK-LBPRGKRZSA-N -1 3 322.372 2.702 20 0 DFADHM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737419941 599161412 /nfs/dbraw/zinc/16/14/12/599161412.db2.gz GSNDNOVOVKFODK-LBPRGKRZSA-N -1 3 322.372 2.702 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCc2ccccc2CC1 ZINC000737640168 599171624 /nfs/dbraw/zinc/17/16/24/599171624.db2.gz LQKABJAWEVTWPP-UHFFFAOYSA-N -1 3 309.348 2.611 20 0 DFADHM Fc1cccc(F)c1[C@@H]1C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737659912 599171872 /nfs/dbraw/zinc/17/18/72/599171872.db2.gz FPWRPMNVKKKOQD-SKDRFNHKSA-N -1 3 314.299 2.508 20 0 DFADHM Fc1cccc(F)c1[C@@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737659912 599171874 /nfs/dbraw/zinc/17/18/74/599171874.db2.gz FPWRPMNVKKKOQD-SKDRFNHKSA-N -1 3 314.299 2.508 20 0 DFADHM CC[C@@H](CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)C ZINC000820882706 599177833 /nfs/dbraw/zinc/17/78/33/599177833.db2.gz YBABLSSONAJXPG-NSHDSACASA-N -1 3 319.384 2.694 20 0 DFADHM CC[C@@H](CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)C ZINC000820882706 599177835 /nfs/dbraw/zinc/17/78/35/599177835.db2.gz YBABLSSONAJXPG-NSHDSACASA-N -1 3 319.384 2.694 20 0 DFADHM CC1(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000736225534 599187354 /nfs/dbraw/zinc/18/73/54/599187354.db2.gz ZDPQMMBSLWWEOA-UHFFFAOYSA-N -1 3 300.366 2.711 20 0 DFADHM CC1(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000736225534 599187357 /nfs/dbraw/zinc/18/73/57/599187357.db2.gz ZDPQMMBSLWWEOA-UHFFFAOYSA-N -1 3 300.366 2.711 20 0 DFADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821034639 599195342 /nfs/dbraw/zinc/19/53/42/599195342.db2.gz QDNIZPNQADBALC-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821034639 599195345 /nfs/dbraw/zinc/19/53/45/599195345.db2.gz QDNIZPNQADBALC-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM C[C@@H](NC(=O)Nc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380741 599235339 /nfs/dbraw/zinc/23/53/39/599235339.db2.gz ZIYYADMRESIIKR-LLVKDONJSA-N -1 3 308.345 2.749 20 0 DFADHM C[C@@H](NC(=O)Nc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380741 599235341 /nfs/dbraw/zinc/23/53/41/599235341.db2.gz ZIYYADMRESIIKR-LLVKDONJSA-N -1 3 308.345 2.749 20 0 DFADHM CC(C)[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735752153 599239080 /nfs/dbraw/zinc/23/90/80/599239080.db2.gz XYWSRBZZYVZKQN-AWEZNQCLSA-N -1 3 314.393 2.909 20 0 DFADHM CC(C)[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735752153 599239083 /nfs/dbraw/zinc/23/90/83/599239083.db2.gz XYWSRBZZYVZKQN-AWEZNQCLSA-N -1 3 314.393 2.909 20 0 DFADHM Cc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822234602 607271854 /nfs/dbraw/zinc/27/18/54/607271854.db2.gz AXEGGRWEUOOAAP-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM Cc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822234602 607271855 /nfs/dbraw/zinc/27/18/55/607271855.db2.gz AXEGGRWEUOOAAP-UHFFFAOYSA-N -1 3 307.357 2.665 20 0 DFADHM CCCCCC[C@H](C)CC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736448543 599253610 /nfs/dbraw/zinc/25/36/10/599253610.db2.gz ZUWQHYDBMZZTDC-LBPRGKRZSA-N -1 3 316.409 2.619 20 0 DFADHM CCCCCC[C@H](C)CC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736448543 599253612 /nfs/dbraw/zinc/25/36/12/599253612.db2.gz ZUWQHYDBMZZTDC-LBPRGKRZSA-N -1 3 316.409 2.619 20 0 DFADHM Cc1c(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822083585 607284108 /nfs/dbraw/zinc/28/41/08/607284108.db2.gz CULLVQYCVPIYMI-QWRGUYRKSA-N -1 3 314.393 2.685 20 0 DFADHM Cc1c(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822083585 607284109 /nfs/dbraw/zinc/28/41/09/607284109.db2.gz CULLVQYCVPIYMI-QWRGUYRKSA-N -1 3 314.393 2.685 20 0 DFADHM CCCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)C1CC1 ZINC000821082962 607286192 /nfs/dbraw/zinc/28/61/92/607286192.db2.gz QMLBBXSUZACOKW-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM CCCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)C1CC1 ZINC000821082962 607286193 /nfs/dbraw/zinc/28/61/93/607286193.db2.gz QMLBBXSUZACOKW-UHFFFAOYSA-N -1 3 300.366 2.581 20 0 DFADHM Cc1cc(F)cc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822203116 607307866 /nfs/dbraw/zinc/30/78/66/607307866.db2.gz FMQNPZGXWIAUEH-UHFFFAOYSA-N -1 3 312.308 2.958 20 0 DFADHM Cc1cc(F)cc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822203116 607307867 /nfs/dbraw/zinc/30/78/67/607307867.db2.gz FMQNPZGXWIAUEH-UHFFFAOYSA-N -1 3 312.308 2.958 20 0 DFADHM c1cc(-c2nnn[n-]2)ccc1CNc1ccc2c(c1)CCCO2 ZINC000823742907 607316635 /nfs/dbraw/zinc/31/66/35/607316635.db2.gz NFEMLVUJQQPWIY-UHFFFAOYSA-N -1 3 307.357 2.804 20 0 DFADHM c1cc(-c2nn[n-]n2)ccc1CNc1ccc2c(c1)CCCO2 ZINC000823742907 607316636 /nfs/dbraw/zinc/31/66/36/607316636.db2.gz NFEMLVUJQQPWIY-UHFFFAOYSA-N -1 3 307.357 2.804 20 0 DFADHM Cc1noc(C2(C)CCN(Cc3ccc(C(=O)[O-])cc3)CC2)n1 ZINC000821235309 597681897 /nfs/dbraw/zinc/68/18/97/597681897.db2.gz GBNQKKFDUOSBGT-UHFFFAOYSA-N -1 3 315.373 2.630 20 0 DFADHM COC(=O)C[C@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736912554 599290544 /nfs/dbraw/zinc/29/05/44/599290544.db2.gz OXZCZOPFOQDDTF-VHSXEESVSA-N -1 3 306.391 2.613 20 0 DFADHM COC(=O)C[C@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736912554 599290546 /nfs/dbraw/zinc/29/05/46/599290546.db2.gz OXZCZOPFOQDDTF-VHSXEESVSA-N -1 3 306.391 2.613 20 0 DFADHM C[C@@H](NC1CCC(C(=O)[O-])CC1)c1cn(-c2ccccc2)nn1 ZINC000820136313 598135655 /nfs/dbraw/zinc/13/56/55/598135655.db2.gz PLLHYFWOFLPKNH-IYXRBSQSSA-N -1 3 314.389 2.561 20 0 DFADHM Cc1cc2ncc([C@H](C)NCc3ccc(C(=O)[O-])cc3)c(C)n2n1 ZINC000821051995 598162572 /nfs/dbraw/zinc/16/25/72/598162572.db2.gz GHXVABBPWHPSGT-LBPRGKRZSA-N -1 3 324.384 2.895 20 0 DFADHM CC(C)[C@@H](NCc1csc(Cc2ccccc2)n1)C(=O)[O-] ZINC000820049400 598189563 /nfs/dbraw/zinc/18/95/63/598189563.db2.gz MMJZCJKZBDGNBI-OAHLLOKOSA-N -1 3 304.415 2.933 20 0 DFADHM O=C([O-])c1cccc(CNCc2ccc(N3CCCC3=O)cc2)c1 ZINC000263377215 598202374 /nfs/dbraw/zinc/20/23/74/598202374.db2.gz CDEOKVRHLRDSKL-UHFFFAOYSA-N -1 3 324.380 2.801 20 0 DFADHM CCCOc1ccc(CNCc2cccc(C(=O)[O-])c2)cn1 ZINC000263446858 598203525 /nfs/dbraw/zinc/20/35/25/598203525.db2.gz GBLXGZIAXZVTSF-UHFFFAOYSA-N -1 3 300.358 2.858 20 0 DFADHM CC(C)(C)CCCCNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735602671 598233445 /nfs/dbraw/zinc/23/34/45/598233445.db2.gz FMHZOCQFZVNYRG-UHFFFAOYSA-N -1 3 315.421 2.742 20 0 DFADHM CC(C)(C)CCCCNC(=O)c1sccc1-c1nnn[n-]1 ZINC000735601808 598233292 /nfs/dbraw/zinc/23/32/92/598233292.db2.gz DREKXSAZMDOQTR-UHFFFAOYSA-N -1 3 307.423 2.874 20 0 DFADHM CC(C)(C)CCCCNC(=O)c1sccc1-c1nn[n-]n1 ZINC000735601808 598233294 /nfs/dbraw/zinc/23/32/94/598233294.db2.gz DREKXSAZMDOQTR-UHFFFAOYSA-N -1 3 307.423 2.874 20 0 DFADHM CC(C)(C)CCCCNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735602671 598233442 /nfs/dbraw/zinc/23/34/42/598233442.db2.gz FMHZOCQFZVNYRG-UHFFFAOYSA-N -1 3 315.421 2.742 20 0 DFADHM Cc1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737367061 598234666 /nfs/dbraw/zinc/23/46/66/598234666.db2.gz YKAYGKZLTBHDQL-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM CC(C)COC1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735837545 598240041 /nfs/dbraw/zinc/24/00/41/598240041.db2.gz JHJPXBRZBFXVST-UHFFFAOYSA-N -1 3 319.384 2.647 20 0 DFADHM Fc1cccc(NCCSC(F)(F)F)c1-c1nnn[n-]1 ZINC000737663592 598240083 /nfs/dbraw/zinc/24/00/83/598240083.db2.gz JFBOAZBJGSDKPI-UHFFFAOYSA-N -1 3 307.276 2.671 20 0 DFADHM Fc1cccc(NCCSC(F)(F)F)c1-c1nn[n-]n1 ZINC000737663592 598240084 /nfs/dbraw/zinc/24/00/84/598240084.db2.gz JFBOAZBJGSDKPI-UHFFFAOYSA-N -1 3 307.276 2.671 20 0 DFADHM Fc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000737647451 598243532 /nfs/dbraw/zinc/24/35/32/598243532.db2.gz DXEBBOJKPWZPBN-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM COc1c(C)cc(CN(C)c2ncccc2-c2nnn[n-]2)cc1C ZINC000737025364 598248309 /nfs/dbraw/zinc/24/83/09/598248309.db2.gz YSXUBHMHXNFFAX-UHFFFAOYSA-N -1 3 324.388 2.524 20 0 DFADHM COc1c(C)cc(CN(C)c2ncccc2-c2nn[n-]n2)cc1C ZINC000737025364 598248310 /nfs/dbraw/zinc/24/83/10/598248310.db2.gz YSXUBHMHXNFFAX-UHFFFAOYSA-N -1 3 324.388 2.524 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)C1CCCCCC1 ZINC000738233856 598302972 /nfs/dbraw/zinc/30/29/72/598302972.db2.gz VVAQMQMEDABHJE-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)C1CCCCCC1 ZINC000738233856 598302974 /nfs/dbraw/zinc/30/29/74/598302974.db2.gz VVAQMQMEDABHJE-UHFFFAOYSA-N -1 3 300.362 2.880 20 0 DFADHM CCCN(Cc1ccc(F)cc1-c1nnn[n-]1)CC(F)(F)F ZINC000736481102 598310280 /nfs/dbraw/zinc/31/02/80/598310280.db2.gz UBSHYDPIQNWDIX-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM CCCN(Cc1ccc(F)cc1-c1nn[n-]n1)CC(F)(F)F ZINC000736481102 598310282 /nfs/dbraw/zinc/31/02/82/598310282.db2.gz UBSHYDPIQNWDIX-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1F)CC(F)(F)F ZINC000736480171 598312450 /nfs/dbraw/zinc/31/24/50/598312450.db2.gz LLBJNLGUKAHPFI-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1F)CC(F)(F)F ZINC000736480171 598312451 /nfs/dbraw/zinc/31/24/51/598312451.db2.gz LLBJNLGUKAHPFI-UHFFFAOYSA-N -1 3 317.290 2.780 20 0 DFADHM CCCSCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736498121 598313273 /nfs/dbraw/zinc/31/32/73/598313273.db2.gz PRBWMSYAJHSPKA-UHFFFAOYSA-N -1 3 311.798 2.602 20 0 DFADHM CCCSCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736498121 598313274 /nfs/dbraw/zinc/31/32/74/598313274.db2.gz PRBWMSYAJHSPKA-UHFFFAOYSA-N -1 3 311.798 2.602 20 0 DFADHM CCN(CC)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736529825 598316907 /nfs/dbraw/zinc/31/69/07/598316907.db2.gz TUNOLVKGOKJFKC-UHFFFAOYSA-N -1 3 310.814 2.559 20 0 DFADHM CCN(CC)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736529825 598316908 /nfs/dbraw/zinc/31/69/08/598316908.db2.gz TUNOLVKGOKJFKC-UHFFFAOYSA-N -1 3 310.814 2.559 20 0 DFADHM Cc1cc(F)ccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000822206071 607353134 /nfs/dbraw/zinc/35/31/34/607353134.db2.gz STLNHQBVSKXDLF-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(F)ccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822206071 607353137 /nfs/dbraw/zinc/35/31/37/607353137.db2.gz STLNHQBVSKXDLF-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CCN(Cc1cn2ccccc2c1-c1nnn[n-]1)CC(F)(F)F ZINC000736555348 598382799 /nfs/dbraw/zinc/38/27/99/598382799.db2.gz HFGVKORMBWUGQH-UHFFFAOYSA-N -1 3 324.310 2.504 20 0 DFADHM CCN(Cc1cn2ccccc2c1-c1nn[n-]n1)CC(F)(F)F ZINC000736555348 598382800 /nfs/dbraw/zinc/38/28/00/598382800.db2.gz HFGVKORMBWUGQH-UHFFFAOYSA-N -1 3 324.310 2.504 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccnc(C(C)C)n1 ZINC000737031371 598384159 /nfs/dbraw/zinc/38/41/59/598384159.db2.gz AKUQZIOBBZGQEK-UHFFFAOYSA-N -1 3 312.333 2.581 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccnc(C(C)C)n1 ZINC000737031371 598384161 /nfs/dbraw/zinc/38/41/61/598384161.db2.gz AKUQZIOBBZGQEK-UHFFFAOYSA-N -1 3 312.333 2.581 20 0 DFADHM Cc1ccc(CN(C)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737340500 598386840 /nfs/dbraw/zinc/38/68/40/598386840.db2.gz GWOJUCGVBIYOJT-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Cc1ccc(CN(C)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737340500 598386841 /nfs/dbraw/zinc/38/68/41/598386841.db2.gz GWOJUCGVBIYOJT-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM C[C@@H](Cc1ccco1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736066484 598389093 /nfs/dbraw/zinc/38/90/93/598389093.db2.gz NLKUHSFMLDOXNS-QMMMGPOBSA-N -1 3 304.741 2.551 20 0 DFADHM C[C@@H](Cc1ccco1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736066484 598389095 /nfs/dbraw/zinc/38/90/95/598389095.db2.gz NLKUHSFMLDOXNS-QMMMGPOBSA-N -1 3 304.741 2.551 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1NCCCOC1CCCC1 ZINC000737558011 598393734 /nfs/dbraw/zinc/39/37/34/598393734.db2.gz INKFTESFZHKELO-UHFFFAOYSA-N -1 3 322.800 2.676 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1NCCCOC1CCCC1 ZINC000737558011 598393735 /nfs/dbraw/zinc/39/37/35/598393735.db2.gz INKFTESFZHKELO-UHFFFAOYSA-N -1 3 322.800 2.676 20 0 DFADHM Cc1cccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000737401450 598396364 /nfs/dbraw/zinc/39/63/64/598396364.db2.gz YHAOBLANHVHLLD-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM O=C(CC1=CCCCC1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737815345 598410577 /nfs/dbraw/zinc/41/05/77/598410577.db2.gz UKOZFZRRIXZXRJ-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM O=C(CC1=CCCCC1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737815345 598410579 /nfs/dbraw/zinc/41/05/79/598410579.db2.gz UKOZFZRRIXZXRJ-UHFFFAOYSA-N -1 3 316.336 2.940 20 0 DFADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000736424266 598413948 /nfs/dbraw/zinc/41/39/48/598413948.db2.gz PJLHXLKMQNZMMZ-QWRGUYRKSA-N -1 3 319.434 2.652 20 0 DFADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000736424266 598413949 /nfs/dbraw/zinc/41/39/49/598413949.db2.gz PJLHXLKMQNZMMZ-QWRGUYRKSA-N -1 3 319.434 2.652 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737341859 598418724 /nfs/dbraw/zinc/41/87/24/598418724.db2.gz ACUZWBFVDBXGGB-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(F)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737341859 598418725 /nfs/dbraw/zinc/41/87/25/598418725.db2.gz ACUZWBFVDBXGGB-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CCS[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736663712 598432984 /nfs/dbraw/zinc/43/29/84/598432984.db2.gz GKWGAVBUFHUVAG-CYBMUJFWSA-N -1 3 320.418 2.688 20 0 DFADHM CCS[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736663712 598432986 /nfs/dbraw/zinc/43/29/86/598432986.db2.gz GKWGAVBUFHUVAG-CYBMUJFWSA-N -1 3 320.418 2.688 20 0 DFADHM CC(C)CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000735819124 598442227 /nfs/dbraw/zinc/44/22/27/598442227.db2.gz TUJMHIGFGQJBNO-UHFFFAOYSA-N -1 3 322.372 2.565 20 0 DFADHM CC(C)CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000735819124 598442228 /nfs/dbraw/zinc/44/22/28/598442228.db2.gz TUJMHIGFGQJBNO-UHFFFAOYSA-N -1 3 322.372 2.565 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCSC(C)(C)C)n1 ZINC000737241520 598457764 /nfs/dbraw/zinc/45/77/64/598457764.db2.gz RNIJUICQJDIHOR-UHFFFAOYSA-N -1 3 306.439 2.822 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCSC(C)(C)C)n1 ZINC000737241520 598457766 /nfs/dbraw/zinc/45/77/66/598457766.db2.gz RNIJUICQJDIHOR-UHFFFAOYSA-N -1 3 306.439 2.822 20 0 DFADHM Cc1cc(C)c(COC(=O)c2ccc(-c3nnn[n-]3)cn2)c(C)c1 ZINC000737246555 598479403 /nfs/dbraw/zinc/47/94/03/598479403.db2.gz LLGGNJPVTTZIGL-UHFFFAOYSA-N -1 3 323.356 2.544 20 0 DFADHM Cc1cc(C)c(COC(=O)c2ccc(-c3nn[n-]n3)cn2)c(C)c1 ZINC000737246555 598479405 /nfs/dbraw/zinc/47/94/05/598479405.db2.gz LLGGNJPVTTZIGL-UHFFFAOYSA-N -1 3 323.356 2.544 20 0 DFADHM CCS[C@H](C(=O)OCc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736668174 598481933 /nfs/dbraw/zinc/48/19/33/598481933.db2.gz YJZGEEACCFIROU-ZDUSSCGKSA-N -1 3 320.418 2.688 20 0 DFADHM CCS[C@H](C(=O)OCc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736668174 598481934 /nfs/dbraw/zinc/48/19/34/598481934.db2.gz YJZGEEACCFIROU-ZDUSSCGKSA-N -1 3 320.418 2.688 20 0 DFADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)[nH]1 ZINC000737237640 598486530 /nfs/dbraw/zinc/48/65/30/598486530.db2.gz BKSOIPKHEHGHFM-LLVKDONJSA-N -1 3 311.345 2.730 20 0 DFADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)[nH]1 ZINC000737237640 598486532 /nfs/dbraw/zinc/48/65/32/598486532.db2.gz BKSOIPKHEHGHFM-LLVKDONJSA-N -1 3 311.345 2.730 20 0 DFADHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C1CC1 ZINC000735975330 598490157 /nfs/dbraw/zinc/49/01/57/598490157.db2.gz LDGSUAFYUDIFMU-SNVBAGLBSA-N -1 3 316.409 2.798 20 0 DFADHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C1CC1 ZINC000735975330 598490159 /nfs/dbraw/zinc/49/01/59/598490159.db2.gz LDGSUAFYUDIFMU-SNVBAGLBSA-N -1 3 316.409 2.798 20 0 DFADHM CC(C)C[C@H](C)CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735761697 598494688 /nfs/dbraw/zinc/49/46/88/598494688.db2.gz PXWAPKDULWNHIT-ZDUSSCGKSA-N -1 3 315.421 2.897 20 0 DFADHM CC(C)C[C@H](C)CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735761697 598494689 /nfs/dbraw/zinc/49/46/89/598494689.db2.gz PXWAPKDULWNHIT-ZDUSSCGKSA-N -1 3 315.421 2.897 20 0 DFADHM CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736352155 598517969 /nfs/dbraw/zinc/51/79/69/598517969.db2.gz SYDZRVJOZYTUTD-INIZCTEOSA-N -1 3 321.384 2.618 20 0 DFADHM CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736352155 598517970 /nfs/dbraw/zinc/51/79/70/598517970.db2.gz SYDZRVJOZYTUTD-INIZCTEOSA-N -1 3 321.384 2.618 20 0 DFADHM Cc1csc([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000737455844 598521488 /nfs/dbraw/zinc/52/14/88/598521488.db2.gz YMKSFKSLJTUANC-MRVPVSSYSA-N -1 3 304.354 2.944 20 0 DFADHM Cc1csc([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000737455844 598521489 /nfs/dbraw/zinc/52/14/89/598521489.db2.gz YMKSFKSLJTUANC-MRVPVSSYSA-N -1 3 304.354 2.944 20 0 DFADHM CCCc1nc(COc2ccc(-c3nnn[n-]3)c(F)c2)cs1 ZINC000736495863 598557811 /nfs/dbraw/zinc/55/78/11/598557811.db2.gz UARKGSQGLCDCFS-UHFFFAOYSA-N -1 3 319.365 2.994 20 0 DFADHM CCCc1nc(COc2ccc(-c3nn[n-]n3)c(F)c2)cs1 ZINC000736495863 598557812 /nfs/dbraw/zinc/55/78/12/598557812.db2.gz UARKGSQGLCDCFS-UHFFFAOYSA-N -1 3 319.365 2.994 20 0 DFADHM CCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736576642 598565258 /nfs/dbraw/zinc/56/52/58/598565258.db2.gz XWFSUHFHOYBXJO-UHFFFAOYSA-N -1 3 324.344 2.800 20 0 DFADHM CCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736576642 598565260 /nfs/dbraw/zinc/56/52/60/598565260.db2.gz XWFSUHFHOYBXJO-UHFFFAOYSA-N -1 3 324.344 2.800 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000737315589 598589131 /nfs/dbraw/zinc/58/91/31/598589131.db2.gz ORICQIWZRBRKRZ-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000737315589 598589133 /nfs/dbraw/zinc/58/91/33/598589133.db2.gz ORICQIWZRBRKRZ-UHFFFAOYSA-N -1 3 315.283 2.706 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736688733 598591777 /nfs/dbraw/zinc/59/17/77/598591777.db2.gz RJUCNGHWIXDLOH-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736688733 598591778 /nfs/dbraw/zinc/59/17/78/598591778.db2.gz RJUCNGHWIXDLOH-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM Cc1ccc(C)c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737323170 598592323 /nfs/dbraw/zinc/59/23/23/598592323.db2.gz PWQWAPLUVZYQCJ-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(C)c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737323170 598592324 /nfs/dbraw/zinc/59/23/24/598592324.db2.gz PWQWAPLUVZYQCJ-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cccn2cc(CNc3cc(-c4nnn[n-]4)ccc3C)nc12 ZINC000737295899 598602811 /nfs/dbraw/zinc/60/28/11/598602811.db2.gz AJBVGAOJEVKBQQ-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Cc1cccn2cc(CNc3cc(-c4nn[n-]n4)ccc3C)nc12 ZINC000737295899 598602813 /nfs/dbraw/zinc/60/28/13/598602813.db2.gz AJBVGAOJEVKBQQ-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM Fc1ccc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000737647976 598607122 /nfs/dbraw/zinc/60/71/22/598607122.db2.gz GEZSPUJFRRQZHI-UHFFFAOYSA-N -1 3 308.276 2.723 20 0 DFADHM Fc1ccc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000737647976 598607124 /nfs/dbraw/zinc/60/71/24/598607124.db2.gz GEZSPUJFRRQZHI-UHFFFAOYSA-N -1 3 308.276 2.723 20 0 DFADHM CN(CC1CCCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736795726 598629551 /nfs/dbraw/zinc/62/95/51/598629551.db2.gz XXBGLKXELUCYSU-UHFFFAOYSA-N -1 3 318.356 2.660 20 0 DFADHM CN(CC1CCCC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736795726 598629553 /nfs/dbraw/zinc/62/95/53/598629553.db2.gz XXBGLKXELUCYSU-UHFFFAOYSA-N -1 3 318.356 2.660 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1Oc1cc(C(C)C)ncn1 ZINC000737032352 598636623 /nfs/dbraw/zinc/63/66/23/598636623.db2.gz LLYUUDCAZXOHTQ-UHFFFAOYSA-N -1 3 312.333 2.581 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1Oc1cc(C(C)C)ncn1 ZINC000737032352 598636624 /nfs/dbraw/zinc/63/66/24/598636624.db2.gz LLYUUDCAZXOHTQ-UHFFFAOYSA-N -1 3 312.333 2.581 20 0 DFADHM CC[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736331108 598658412 /nfs/dbraw/zinc/65/84/12/598658412.db2.gz IALUAYCXZQAMRM-LBPRGKRZSA-N -1 3 322.372 2.784 20 0 DFADHM CC[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736331108 598658414 /nfs/dbraw/zinc/65/84/14/598658414.db2.gz IALUAYCXZQAMRM-LBPRGKRZSA-N -1 3 322.372 2.784 20 0 DFADHM CCCCN(CCOC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736457501 598673098 /nfs/dbraw/zinc/67/30/98/598673098.db2.gz WPFKHYXPQJMQIQ-UHFFFAOYSA-N -1 3 309.801 2.773 20 0 DFADHM CCCCN(CCOC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736457501 598673100 /nfs/dbraw/zinc/67/31/00/598673100.db2.gz WPFKHYXPQJMQIQ-UHFFFAOYSA-N -1 3 309.801 2.773 20 0 DFADHM CC1(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CCCC1 ZINC000736207095 598704124 /nfs/dbraw/zinc/70/41/24/598704124.db2.gz QWYBNKZTXSPKJR-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CC1(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CCCC1 ZINC000736207095 598704125 /nfs/dbraw/zinc/70/41/25/598704125.db2.gz QWYBNKZTXSPKJR-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CN(Cc1ccccn1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736828823 598746117 /nfs/dbraw/zinc/74/61/17/598746117.db2.gz OVKGTWHCNUCPPR-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1ccccn1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736828823 598746118 /nfs/dbraw/zinc/74/61/18/598746118.db2.gz OVKGTWHCNUCPPR-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM Fc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000737647606 598756657 /nfs/dbraw/zinc/75/66/57/598756657.db2.gz HGOTUGSPOWMZBL-UHFFFAOYSA-N -1 3 319.290 2.939 20 0 DFADHM Fc1ccc(F)c(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737660863 598789380 /nfs/dbraw/zinc/78/93/80/598789380.db2.gz TWDQMGNVJDDILR-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(F)c(OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737660863 598789381 /nfs/dbraw/zinc/78/93/81/598789381.db2.gz TWDQMGNVJDDILR-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM CCO[C@@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736608980 598794267 /nfs/dbraw/zinc/79/42/67/598794267.db2.gz OFUINFDTLATVTE-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CCO[C@@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736608980 598794268 /nfs/dbraw/zinc/79/42/68/598794268.db2.gz OFUINFDTLATVTE-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM Cc1ncc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000737489677 598799161 /nfs/dbraw/zinc/79/91/61/598799161.db2.gz MMZCVOHXLNMBCJ-MRVPVSSYSA-N -1 3 315.358 2.550 20 0 DFADHM Cc1ncc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000737489677 598799159 /nfs/dbraw/zinc/79/91/59/598799159.db2.gz MMZCVOHXLNMBCJ-MRVPVSSYSA-N -1 3 315.358 2.550 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CSCCOC(C)C ZINC000821749421 607367338 /nfs/dbraw/zinc/36/73/38/607367338.db2.gz LBNQXEAVNYMPOK-UHFFFAOYSA-N -1 3 308.407 2.534 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSCCOC(C)C ZINC000821749421 607367340 /nfs/dbraw/zinc/36/73/40/607367340.db2.gz LBNQXEAVNYMPOK-UHFFFAOYSA-N -1 3 308.407 2.534 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2[nH]ccc21 ZINC000738152294 598813171 /nfs/dbraw/zinc/81/31/71/598813171.db2.gz TVLUBJYZUQWVID-UHFFFAOYSA-N -1 3 319.328 2.992 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2[nH]ccc21 ZINC000738152294 598813172 /nfs/dbraw/zinc/81/31/72/598813172.db2.gz TVLUBJYZUQWVID-UHFFFAOYSA-N -1 3 319.328 2.992 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC000735595038 599304570 /nfs/dbraw/zinc/30/45/70/599304570.db2.gz DIODRTQSKKHUEZ-YPMHNXCESA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC000735595038 599304571 /nfs/dbraw/zinc/30/45/71/599304571.db2.gz DIODRTQSKKHUEZ-YPMHNXCESA-N -1 3 316.409 2.515 20 0 DFADHM Cc1cccc(CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737392457 599308363 /nfs/dbraw/zinc/30/83/63/599308363.db2.gz VBFJZJPDXRAIMV-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM Cc1cccc(CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737392457 599308366 /nfs/dbraw/zinc/30/83/66/599308366.db2.gz VBFJZJPDXRAIMV-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CCN(C(=O)C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502567 599311096 /nfs/dbraw/zinc/31/10/96/599311096.db2.gz NVYMPGIBERUXNU-MDWZMJQESA-N -1 3 319.368 2.933 20 0 DFADHM CCN(C(=O)C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502567 599311099 /nfs/dbraw/zinc/31/10/99/599311099.db2.gz NVYMPGIBERUXNU-MDWZMJQESA-N -1 3 319.368 2.933 20 0 DFADHM CC[C@H](Cc1ccccc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC000736351114 599320746 /nfs/dbraw/zinc/32/07/46/599320746.db2.gz NVAWJYAHDOCDPQ-OAHLLOKOSA-N -1 3 308.389 2.719 20 0 DFADHM CC[C@H](Cc1ccccc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC000736351114 599320749 /nfs/dbraw/zinc/32/07/49/599320749.db2.gz NVAWJYAHDOCDPQ-OAHLLOKOSA-N -1 3 308.389 2.719 20 0 DFADHM CCC(C)(C)NC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000820847370 599341885 /nfs/dbraw/zinc/34/18/85/599341885.db2.gz CAQZNGJYOVZSJZ-JTQLQIEISA-N -1 3 319.434 2.652 20 0 DFADHM CCC(C)(C)NC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000820847370 599341887 /nfs/dbraw/zinc/34/18/87/599341887.db2.gz CAQZNGJYOVZSJZ-JTQLQIEISA-N -1 3 319.434 2.652 20 0 DFADHM CC(C)CCNC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000820076497 599346514 /nfs/dbraw/zinc/34/65/14/599346514.db2.gz JXOAJAGVIIURFC-LLVKDONJSA-N -1 3 319.434 2.510 20 0 DFADHM CC(C)CCNC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000820076497 599346516 /nfs/dbraw/zinc/34/65/16/599346516.db2.gz JXOAJAGVIIURFC-LLVKDONJSA-N -1 3 319.434 2.510 20 0 DFADHM Cc1nc(C)c(F)c(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822431708 599355890 /nfs/dbraw/zinc/35/58/90/599355890.db2.gz GXZMJRHTZTWEAY-MRVPVSSYSA-N -1 3 313.340 2.586 20 0 DFADHM Cc1nc(C)c(F)c(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822431708 599355892 /nfs/dbraw/zinc/35/58/92/599355892.db2.gz GXZMJRHTZTWEAY-MRVPVSSYSA-N -1 3 313.340 2.586 20 0 DFADHM Cc1nc(C)c(F)c(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822431709 599356085 /nfs/dbraw/zinc/35/60/85/599356085.db2.gz GXZMJRHTZTWEAY-QMMMGPOBSA-N -1 3 313.340 2.586 20 0 DFADHM Cc1nc(C)c(F)c(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822431709 599356087 /nfs/dbraw/zinc/35/60/87/599356087.db2.gz GXZMJRHTZTWEAY-QMMMGPOBSA-N -1 3 313.340 2.586 20 0 DFADHM CSCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737180716 599369865 /nfs/dbraw/zinc/36/98/65/599369865.db2.gz HXJGRUTUNORICG-UHFFFAOYSA-N -1 3 311.798 2.602 20 0 DFADHM CSCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737180716 599369868 /nfs/dbraw/zinc/36/98/68/599369868.db2.gz HXJGRUTUNORICG-UHFFFAOYSA-N -1 3 311.798 2.602 20 0 DFADHM COc1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000821845526 599386744 /nfs/dbraw/zinc/38/67/44/599386744.db2.gz HMERHHFEHTVOBI-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000821845526 599386747 /nfs/dbraw/zinc/38/67/47/599386747.db2.gz HMERHHFEHTVOBI-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM CN(CCc1ccccn1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736808068 599393770 /nfs/dbraw/zinc/39/37/70/599393770.db2.gz ZMTBAWWBGKAOCE-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM FC(F)(F)COCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737628019 599403142 /nfs/dbraw/zinc/40/31/42/599403142.db2.gz TXWGRILMYKRJDZ-UHFFFAOYSA-N -1 3 321.690 2.511 20 0 DFADHM FC(F)(F)COCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737628019 599403143 /nfs/dbraw/zinc/40/31/43/599403143.db2.gz TXWGRILMYKRJDZ-UHFFFAOYSA-N -1 3 321.690 2.511 20 0 DFADHM CCOC1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000736609358 599416696 /nfs/dbraw/zinc/41/66/96/599416696.db2.gz PZENLRLCSHRYDP-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM CCOC1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000736609358 599416699 /nfs/dbraw/zinc/41/66/99/599416699.db2.gz PZENLRLCSHRYDP-UHFFFAOYSA-N -1 3 307.785 2.525 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccccc1F ZINC000821749314 607375696 /nfs/dbraw/zinc/37/56/96/607375696.db2.gz GMXHPDYQDIOIGI-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccccc1F ZINC000821749314 607375697 /nfs/dbraw/zinc/37/56/97/607375697.db2.gz GMXHPDYQDIOIGI-UHFFFAOYSA-N -1 3 300.293 2.593 20 0 DFADHM CCC[C@H](CC)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821014179 599425444 /nfs/dbraw/zinc/42/54/44/599425444.db2.gz BPYZIYUXKAMRIC-RISCZKNCSA-N -1 3 316.409 2.806 20 0 DFADHM CCC[C@H](CC)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821014179 599425447 /nfs/dbraw/zinc/42/54/47/599425447.db2.gz BPYZIYUXKAMRIC-RISCZKNCSA-N -1 3 316.409 2.806 20 0 DFADHM Cc1noc(C)c1CCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737538542 599433127 /nfs/dbraw/zinc/43/31/27/599433127.db2.gz STOGWUQRCYJBDI-UHFFFAOYSA-N -1 3 318.768 2.780 20 0 DFADHM Cc1noc(C)c1CCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737538542 599433131 /nfs/dbraw/zinc/43/31/31/599433131.db2.gz STOGWUQRCYJBDI-UHFFFAOYSA-N -1 3 318.768 2.780 20 0 DFADHM Cc1n[nH]cc1CCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822015730 599470037 /nfs/dbraw/zinc/47/00/37/599470037.db2.gz NVHDNMVMSYVIMJ-UHFFFAOYSA-N -1 3 317.784 2.596 20 0 DFADHM Cc1nc(CCNc2c(Cl)cccc2-c2nnn[n-]2)cs1 ZINC000822441418 599470085 /nfs/dbraw/zinc/47/00/85/599470085.db2.gz ZGYXEMUSGQUOBN-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1nc(CCNc2c(Cl)cccc2-c2nn[n-]n2)cs1 ZINC000822441418 599470086 /nfs/dbraw/zinc/47/00/86/599470086.db2.gz ZGYXEMUSGQUOBN-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM CN(CC1CC1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821596503 599485418 /nfs/dbraw/zinc/48/54/18/599485418.db2.gz MASPLYYIYFRCMR-UHFFFAOYSA-N -1 3 314.780 2.915 20 0 DFADHM CN(CC1CC1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821596503 599485419 /nfs/dbraw/zinc/48/54/19/599485419.db2.gz MASPLYYIYFRCMR-UHFFFAOYSA-N -1 3 314.780 2.915 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@@H](C)C1CC1 ZINC000822336200 599493645 /nfs/dbraw/zinc/49/36/45/599493645.db2.gz OMCIRZOYYIJTGS-LLVKDONJSA-N -1 3 308.389 2.603 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@@H](C)C1CC1 ZINC000822336200 599493648 /nfs/dbraw/zinc/49/36/48/599493648.db2.gz OMCIRZOYYIJTGS-LLVKDONJSA-N -1 3 308.389 2.603 20 0 DFADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2NC[C@@H]1CC=CCC1 ZINC000819719049 599496861 /nfs/dbraw/zinc/49/68/61/599496861.db2.gz XVBCVMHWNFPPRN-GFCCVEGCSA-N -1 3 306.373 2.605 20 0 DFADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2NC[C@@H]1CC=CCC1 ZINC000819719049 599496862 /nfs/dbraw/zinc/49/68/62/599496862.db2.gz XVBCVMHWNFPPRN-GFCCVEGCSA-N -1 3 306.373 2.605 20 0 DFADHM Fc1ccc(N2CC[C@@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822779527 599504243 /nfs/dbraw/zinc/50/42/43/599504243.db2.gz VUQZEQJXVKMKEP-CYBMUJFWSA-N -1 3 309.348 3.000 20 0 DFADHM Fc1ccc(N2CC[C@@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822779527 599504245 /nfs/dbraw/zinc/50/42/45/599504245.db2.gz VUQZEQJXVKMKEP-CYBMUJFWSA-N -1 3 309.348 3.000 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1NCCc1nccs1 ZINC000822585590 599507559 /nfs/dbraw/zinc/50/75/59/599507559.db2.gz GHFGAOWWCLVPPE-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1NCCc1nccs1 ZINC000822585590 599507560 /nfs/dbraw/zinc/50/75/60/599507560.db2.gz GHFGAOWWCLVPPE-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Fc1cccc(Oc2cccc(-n3ccnc3)c2)c1-c1nnn[n-]1 ZINC000737662548 599527628 /nfs/dbraw/zinc/52/76/28/599527628.db2.gz BIXSQMGADXPBMO-UHFFFAOYSA-N -1 3 322.303 2.984 20 0 DFADHM C[C@@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1ccsc1 ZINC000735569500 599537977 /nfs/dbraw/zinc/53/79/77/599537977.db2.gz IFLGWUPOYZSOER-SSDOTTSWSA-N -1 3 305.388 2.732 20 0 DFADHM C[C@@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1ccsc1 ZINC000735569500 599537980 /nfs/dbraw/zinc/53/79/80/599537980.db2.gz IFLGWUPOYZSOER-SSDOTTSWSA-N -1 3 305.388 2.732 20 0 DFADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736335593 599548422 /nfs/dbraw/zinc/54/84/22/599548422.db2.gz ZBYGBVLILKYCBW-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736335593 599548424 /nfs/dbraw/zinc/54/84/24/599548424.db2.gz ZBYGBVLILKYCBW-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(F)cc1 ZINC000826252550 607386209 /nfs/dbraw/zinc/38/62/09/607386209.db2.gz HMIABHNRPUGUCQ-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc(F)cc1 ZINC000826252550 607386211 /nfs/dbraw/zinc/38/62/11/607386211.db2.gz HMIABHNRPUGUCQ-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CC(C)(C)OC(=O)CCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000819928233 599572745 /nfs/dbraw/zinc/57/27/45/599572745.db2.gz LMEQLKLHQPXNEC-UHFFFAOYSA-N -1 3 323.784 2.664 20 0 DFADHM CC(C)(C)OC(=O)CCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000819928233 599572746 /nfs/dbraw/zinc/57/27/46/599572746.db2.gz LMEQLKLHQPXNEC-UHFFFAOYSA-N -1 3 323.784 2.664 20 0 DFADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC2(CCCC2)CC1 ZINC000738292354 599580172 /nfs/dbraw/zinc/58/01/72/599580172.db2.gz ZLGUUIPQUNSMFT-UHFFFAOYSA-N -1 3 317.418 2.725 20 0 DFADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC2(CCCC2)CC1 ZINC000738292354 599580173 /nfs/dbraw/zinc/58/01/73/599580173.db2.gz ZLGUUIPQUNSMFT-UHFFFAOYSA-N -1 3 317.418 2.725 20 0 DFADHM c1oc(-c2ccccc2)nc1CNc1ncccc1-c1nnn[n-]1 ZINC000823767497 599586839 /nfs/dbraw/zinc/58/68/39/599586839.db2.gz SBHMSYVWOZURNX-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM c1oc(-c2ccccc2)nc1CNc1ncccc1-c1nn[n-]n1 ZINC000823767497 599586841 /nfs/dbraw/zinc/58/68/41/599586841.db2.gz SBHMSYVWOZURNX-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM Cc1cccc(C)c1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737389816 599605894 /nfs/dbraw/zinc/60/58/94/599605894.db2.gz PXEMVYZHEPNMOH-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM Cc1cccc(C)c1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737389816 599605896 /nfs/dbraw/zinc/60/58/96/599605896.db2.gz PXEMVYZHEPNMOH-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735571335 599606857 /nfs/dbraw/zinc/60/68/57/599606857.db2.gz BQVUPSAREOZRLI-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735571335 599606859 /nfs/dbraw/zinc/60/68/59/599606859.db2.gz BQVUPSAREOZRLI-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM O=C(C=CC1CC1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822922196 599629028 /nfs/dbraw/zinc/62/90/28/599629028.db2.gz DDHIIVYVJJOUHP-BQYQJAHWSA-N -1 3 315.402 2.712 20 0 DFADHM O=C(/C=C/C1CC1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822922196 599629029 /nfs/dbraw/zinc/62/90/29/599629029.db2.gz DDHIIVYVJJOUHP-BQYQJAHWSA-N -1 3 315.402 2.712 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000822227346 599629503 /nfs/dbraw/zinc/62/95/03/599629503.db2.gz FTFGOMLOLHUXEA-MRVPVSSYSA-N -1 3 303.347 2.572 20 0 DFADHM Cc1ccc([C@@H](C)C(=O)Nc2sccc2-c2nn[n-]n2)o1 ZINC000822227346 599629504 /nfs/dbraw/zinc/62/95/04/599629504.db2.gz FTFGOMLOLHUXEA-MRVPVSSYSA-N -1 3 303.347 2.572 20 0 DFADHM CCc1c(C)sc(NC(=O)C=CC2CC2)c1-c1nn[n-]n1 ZINC000821466341 599631376 /nfs/dbraw/zinc/63/13/76/599631376.db2.gz VYLLGMIBTNLVPF-VOTSOKGWSA-N -1 3 303.391 2.704 20 0 DFADHM CCc1c(C)sc(NC(=O)/C=C/C2CC2)c1-c1nn[n-]n1 ZINC000821466341 599631377 /nfs/dbraw/zinc/63/13/77/599631377.db2.gz VYLLGMIBTNLVPF-VOTSOKGWSA-N -1 3 303.391 2.704 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820966392 599655707 /nfs/dbraw/zinc/65/57/07/599655707.db2.gz DPGJRRSYEMASLC-UWCZFHCBSA-N -1 3 311.389 2.527 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820966392 599655708 /nfs/dbraw/zinc/65/57/08/599655708.db2.gz DPGJRRSYEMASLC-UWCZFHCBSA-N -1 3 311.389 2.527 20 0 DFADHM CCc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821483164 599663367 /nfs/dbraw/zinc/66/33/67/599663367.db2.gz ZEOFIZMIFFDFCE-UHFFFAOYSA-N -1 3 322.368 2.715 20 0 DFADHM CCc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821483164 599663368 /nfs/dbraw/zinc/66/33/68/599663368.db2.gz ZEOFIZMIFFDFCE-UHFFFAOYSA-N -1 3 322.368 2.715 20 0 DFADHM CO[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000821676757 599687300 /nfs/dbraw/zinc/68/73/00/599687300.db2.gz GRLNXUKGUCETRR-LLVKDONJSA-N -1 3 311.336 2.618 20 0 DFADHM CO[C@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000821676757 599687301 /nfs/dbraw/zinc/68/73/01/599687301.db2.gz GRLNXUKGUCETRR-LLVKDONJSA-N -1 3 311.336 2.618 20 0 DFADHM CO[C@]1(C)C[C@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)C1(C)C ZINC000821679231 599688762 /nfs/dbraw/zinc/68/87/62/599688762.db2.gz YSNRBLQWGHTOAB-XHDPSFHLSA-N -1 3 323.347 2.760 20 0 DFADHM CO[C@]1(C)C[C@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000821679231 599688763 /nfs/dbraw/zinc/68/87/63/599688763.db2.gz YSNRBLQWGHTOAB-XHDPSFHLSA-N -1 3 323.347 2.760 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820966695 599692481 /nfs/dbraw/zinc/69/24/81/599692481.db2.gz GTAVNVREVZNPKK-ZWNOBZJWSA-N -1 3 314.393 2.827 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820966695 599692482 /nfs/dbraw/zinc/69/24/82/599692482.db2.gz GTAVNVREVZNPKK-ZWNOBZJWSA-N -1 3 314.393 2.827 20 0 DFADHM CN(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737487938 599709708 /nfs/dbraw/zinc/70/97/08/599709708.db2.gz UBGFFGZRGBVFOG-MRXNPFEDSA-N -1 3 317.316 2.812 20 0 DFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(C)c2ccccc2C1 ZINC000736715962 599773859 /nfs/dbraw/zinc/77/38/59/599773859.db2.gz DQXALQTWCVRIOA-GFCCVEGCSA-N -1 3 300.358 2.991 20 0 DFADHM CCOc1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825654214 607397809 /nfs/dbraw/zinc/39/78/09/607397809.db2.gz RRIJQUMTQPFJCB-UHFFFAOYSA-N -1 3 324.340 2.793 20 0 DFADHM CCOc1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825654214 607397811 /nfs/dbraw/zinc/39/78/11/607397811.db2.gz RRIJQUMTQPFJCB-UHFFFAOYSA-N -1 3 324.340 2.793 20 0 DFADHM O=C([O-])C[C@@H]1CCCCN1Cn1cnc2cc(F)c(F)cc21 ZINC000739640126 599840671 /nfs/dbraw/zinc/84/06/71/599840671.db2.gz QQIVNEFQYSCYFC-JTQLQIEISA-N -1 3 309.316 2.601 20 0 DFADHM CC(C)Oc1ccc(NC(=O)C2=CCCC2)cc1-c1nnn[n-]1 ZINC000820160596 607401474 /nfs/dbraw/zinc/40/14/74/607401474.db2.gz MNQBDSWEECPOBL-UHFFFAOYSA-N -1 3 313.361 2.703 20 0 DFADHM CC(C)Oc1ccc(NC(=O)C2=CCCC2)cc1-c1nn[n-]n1 ZINC000820160596 607401475 /nfs/dbraw/zinc/40/14/75/607401475.db2.gz MNQBDSWEECPOBL-UHFFFAOYSA-N -1 3 313.361 2.703 20 0 DFADHM CCc1nccn1[C@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000737285447 599919995 /nfs/dbraw/zinc/91/99/95/599919995.db2.gz SRMLDSZTUNHMHG-LBPRGKRZSA-N -1 3 303.362 2.574 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCC(C)(F)F ZINC000826253530 607409801 /nfs/dbraw/zinc/40/98/01/607409801.db2.gz UMCFALMFWZKHMN-UHFFFAOYSA-N -1 3 310.304 2.654 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCC(C)(F)F ZINC000826253530 607409802 /nfs/dbraw/zinc/40/98/02/607409802.db2.gz UMCFALMFWZKHMN-UHFFFAOYSA-N -1 3 310.304 2.654 20 0 DFADHM Cc1cscc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826321111 607414988 /nfs/dbraw/zinc/41/49/88/607414988.db2.gz QPDPGAAXHAMZHZ-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1cscc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826321111 607414990 /nfs/dbraw/zinc/41/49/90/607414990.db2.gz QPDPGAAXHAMZHZ-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824899867 607426961 /nfs/dbraw/zinc/42/69/61/607426961.db2.gz PPBAKLAQCFRMIV-GMCKNXKJSA-N -1 3 323.400 2.718 20 0 DFADHM C[C@@H]1CC/C(=C\C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000824899867 607426962 /nfs/dbraw/zinc/42/69/62/607426962.db2.gz PPBAKLAQCFRMIV-GMCKNXKJSA-N -1 3 323.400 2.718 20 0 DFADHM CCc1ccc([C@H](C)NC(=O)CN(CCC(=O)[O-])C(C)C)cc1 ZINC000737256903 600222073 /nfs/dbraw/zinc/22/20/73/600222073.db2.gz LZCJKASJWLFFFJ-AWEZNQCLSA-N -1 3 320.433 2.611 20 0 DFADHM CCC[C@](C)(NCc1ccn(-c2cccc(F)c2)n1)C(=O)[O-] ZINC000736963311 600323928 /nfs/dbraw/zinc/32/39/28/600323928.db2.gz WUFCDPCWKGMNHB-INIZCTEOSA-N -1 3 305.353 2.744 20 0 DFADHM Cc1cc(F)ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826268258 607437509 /nfs/dbraw/zinc/43/75/09/607437509.db2.gz PQQIZKRLLFNJJN-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cc(F)ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826268258 607437511 /nfs/dbraw/zinc/43/75/11/607437511.db2.gz PQQIZKRLLFNJJN-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CC(C)c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000824347950 607438001 /nfs/dbraw/zinc/43/80/01/607438001.db2.gz UOIYOATWKYKLBO-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM CC(C)c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000824347950 607438003 /nfs/dbraw/zinc/43/80/03/607438003.db2.gz UOIYOATWKYKLBO-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM CC(C)CN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000107899798 600397372 /nfs/dbraw/zinc/39/73/72/600397372.db2.gz QHEOBLLFDZXHBP-OAHLLOKOSA-N -1 3 310.825 2.739 20 0 DFADHM CC1CCC(N2CCN(Cc3occc3C(=O)[O-])CC2)CC1 ZINC000736767339 600631139 /nfs/dbraw/zinc/63/11/39/600631139.db2.gz BVGSDJVQBBHOGM-UHFFFAOYSA-N -1 3 306.406 2.674 20 0 DFADHM c1cc(SCCCOc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000823762386 607467046 /nfs/dbraw/zinc/46/70/46/607467046.db2.gz NQJCIZKOISNMHU-UHFFFAOYSA-N -1 3 313.386 2.823 20 0 DFADHM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828215082 600933043 /nfs/dbraw/zinc/93/30/43/600933043.db2.gz ZCBNXRUIHPRTMG-CHWSQXEVSA-N -1 3 304.390 2.515 20 0 DFADHM CCN(CC)C(=O)C1(NCc2ccoc2C(=O)[O-])CCCCC1 ZINC000737079185 600957606 /nfs/dbraw/zinc/95/76/06/600957606.db2.gz YDXLKYRDXNFZNU-UHFFFAOYSA-N -1 3 322.405 2.639 20 0 DFADHM CN(CCOc1cccc(C(=O)[O-])c1)Cc1cccc(O)c1 ZINC000830792603 601005897 /nfs/dbraw/zinc/00/58/97/601005897.db2.gz XCOZHQYOZNKRHO-UHFFFAOYSA-N -1 3 301.342 2.601 20 0 DFADHM CC(C)(CCC(=O)[O-])NCc1csc(-c2ccccn2)n1 ZINC000826542378 601009222 /nfs/dbraw/zinc/00/92/22/601009222.db2.gz SSVMCOHBXLBGSK-UHFFFAOYSA-N -1 3 305.403 2.938 20 0 DFADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](CCO)C1 ZINC000833172047 601018366 /nfs/dbraw/zinc/01/83/66/601018366.db2.gz QVUJOWCWXXQZGO-ZANVPECISA-N -1 3 318.200 2.823 20 0 DFADHM C[C@](NCc1csc(-c2ccccn2)n1)(C(=O)[O-])C1CC1 ZINC000827740841 601038388 /nfs/dbraw/zinc/03/83/88/601038388.db2.gz CKNJTUVSFKOGQD-OAHLLOKOSA-N -1 3 303.387 2.548 20 0 DFADHM COc1ccc([C@H]2CCCN2C/C=C(\C)C(=O)[O-])c(OC)c1 ZINC000832272926 601048847 /nfs/dbraw/zinc/04/88/47/601048847.db2.gz MBKDZMQKSBDMTD-INDWDQIESA-N -1 3 305.374 2.872 20 0 DFADHM COc1ccc(OC)c([C@H]2CCCN2C/C=C(/C)C(=O)[O-])c1 ZINC000832431493 601049157 /nfs/dbraw/zinc/04/91/57/601049157.db2.gz QJWBBJYDAWPSQN-LDCOFTPGSA-N -1 3 305.374 2.872 20 0 DFADHM COc1ccc(OC)c([C@H]2CCCN2C/C=C(\C)C(=O)[O-])c1 ZINC000832431491 601049224 /nfs/dbraw/zinc/04/92/24/601049224.db2.gz QJWBBJYDAWPSQN-INDWDQIESA-N -1 3 305.374 2.872 20 0 DFADHM C[C@H](c1ccccc1F)N(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824770811 607485658 /nfs/dbraw/zinc/48/56/58/607485658.db2.gz MRYWWKDMLGIDQT-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM C[C@H](c1ccccc1F)N(C)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824770811 607485660 /nfs/dbraw/zinc/48/56/60/607485660.db2.gz MRYWWKDMLGIDQT-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM COC[C@@](C)(CC(=O)[O-])NCc1cc2ccccc2nc1Cl ZINC000831578848 601136315 /nfs/dbraw/zinc/13/63/15/601136315.db2.gz RTZUCDUMNVGILP-MRXNPFEDSA-N -1 3 322.792 2.858 20 0 DFADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832932042 601148479 /nfs/dbraw/zinc/14/84/79/601148479.db2.gz FSLIUPHPYOJLSE-CABCVRRESA-N -1 3 318.417 2.886 20 0 DFADHM Cc1ccc(-c2nc(CN[C@](C)(C(=O)[O-])C3CC3)co2)cc1 ZINC000832908532 601177348 /nfs/dbraw/zinc/17/73/48/601177348.db2.gz NFKWYWBHDVZGDI-KRWDZBQOSA-N -1 3 300.358 2.993 20 0 DFADHM CC[C@@H]1CN2CCCC[C@H]2CN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000829160162 601324944 /nfs/dbraw/zinc/32/49/44/601324944.db2.gz FBKXETSRMODEMZ-KGLIPLIRSA-N -1 3 306.406 2.735 20 0 DFADHM Cc1ccc([C@@H]2CCCCN2Cc2ccnc(-c3nnn[n-]3)c2)o1 ZINC000826286190 607506966 /nfs/dbraw/zinc/50/69/66/607506966.db2.gz VALXZROXKPUHMH-HNNXBMFYSA-N -1 3 324.388 2.890 20 0 DFADHM Cc1cccc(-c2nnc([C@H](C)N3C[C@@H](C)[C@H](C(=O)[O-])C3)o2)c1 ZINC000832960504 601502068 /nfs/dbraw/zinc/50/20/68/601502068.db2.gz IYHCRBYYIJEPIS-MBNYWOFBSA-N -1 3 315.373 2.759 20 0 DFADHM COc1ccc(-c2cnc(CN3C[C@H](C(=O)[O-])[C@H](C)C3)o2)cc1 ZINC000832123992 601520131 /nfs/dbraw/zinc/52/01/31/601520131.db2.gz HFZAOAAIIABWDF-RISCZKNCSA-N -1 3 316.357 2.503 20 0 DFADHM CC[C@H](C)c1ccc(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000263335343 601520491 /nfs/dbraw/zinc/52/04/91/601520491.db2.gz MHXULHKIILXZFC-WOSRLPQWSA-N -1 3 318.417 2.791 20 0 DFADHM CN(C)C(=O)Sc1cccc(CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000830569905 601537796 /nfs/dbraw/zinc/53/77/96/601537796.db2.gz VXSNAPFNOQHUFU-ZDUSSCGKSA-N -1 3 322.430 2.757 20 0 DFADHM C/C(=C\CN(Cc1ccccc1)C[C@@H](O)c1ccco1)C(=O)[O-] ZINC000825729970 601611192 /nfs/dbraw/zinc/61/11/92/601611192.db2.gz OQDJUEAYEWJCPD-SCZPIIQISA-N -1 3 315.369 2.846 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CN(C)c1cccc(C)c1 ZINC000826181975 607524508 /nfs/dbraw/zinc/52/45/08/607524508.db2.gz VICRVXICQDTBJL-UHFFFAOYSA-N -1 3 309.373 2.820 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CN(C)c1cccc(C)c1 ZINC000826181975 607524509 /nfs/dbraw/zinc/52/45/09/607524509.db2.gz VICRVXICQDTBJL-UHFFFAOYSA-N -1 3 309.373 2.820 20 0 DFADHM CCCC(=O)NC[C@@H]1CCCN(Cc2ccsc2C(=O)[O-])C1 ZINC000829185075 601821701 /nfs/dbraw/zinc/82/17/01/601821701.db2.gz SKZRWFSMDYNKOJ-LBPRGKRZSA-N -1 3 324.446 2.575 20 0 DFADHM c1ccc2c(c1)OCCCN2Cc1cccc(-c2nnn[n-]2)c1 ZINC000826516144 607530086 /nfs/dbraw/zinc/53/00/86/607530086.db2.gz YMNPDXXRQPHVOK-UHFFFAOYSA-N -1 3 307.357 2.656 20 0 DFADHM c1ccc2c(c1)OCCCN2Cc1cccc(-c2nn[n-]n2)c1 ZINC000826516144 607530087 /nfs/dbraw/zinc/53/00/87/607530087.db2.gz YMNPDXXRQPHVOK-UHFFFAOYSA-N -1 3 307.357 2.656 20 0 DFADHM CN(C[C@@H]1CCCCO1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830718594 601902545 /nfs/dbraw/zinc/90/25/45/601902545.db2.gz VKAZKTNUWQVSCF-IINYFYTJSA-N -1 3 317.307 2.731 20 0 DFADHM CSc1ccc(NC(=O)[C@H](C)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000832780765 601920249 /nfs/dbraw/zinc/92/02/49/601920249.db2.gz DIOPAASBNJCIHE-ZBEGNZNMSA-N -1 3 322.430 2.532 20 0 DFADHM Cc1cc(C)c(NC(=O)[C@H](C)N2CC[C@@](C)(C(=O)[O-])C2)c(C)c1 ZINC000832876021 601920613 /nfs/dbraw/zinc/92/06/13/601920613.db2.gz AZFWTGSDEOCRHR-KBXCAEBGSA-N -1 3 318.417 2.735 20 0 DFADHM C[C@H](c1nnc(-c2ccccc2)o1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000827965577 601931640 /nfs/dbraw/zinc/93/16/40/601931640.db2.gz DPFFGFKETPONIU-BZNIZROVSA-N -1 3 301.346 2.594 20 0 DFADHM CSc1cccc(NC(=O)[C@H](C)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000832786264 601936243 /nfs/dbraw/zinc/93/62/43/601936243.db2.gz ZLWUQZYNAHYMOI-ZBEGNZNMSA-N -1 3 322.430 2.532 20 0 DFADHM CCCCNC(=O)C1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000829395446 601940087 /nfs/dbraw/zinc/94/00/87/601940087.db2.gz FWGASPZSDHSJAO-UHFFFAOYSA-N -1 3 324.446 2.575 20 0 DFADHM C[C@@H](O)CN(Cc1ccc(C(=O)[O-])s1)Cc1ccccc1 ZINC000827796020 601958912 /nfs/dbraw/zinc/95/89/12/601958912.db2.gz JJCIVITXCROEQP-GFCCVEGCSA-N -1 3 305.399 2.829 20 0 DFADHM COc1ccc(COc2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000826207479 607542137 /nfs/dbraw/zinc/54/21/37/607542137.db2.gz PMSNETIMJOJSDH-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(COc2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000826207479 607542139 /nfs/dbraw/zinc/54/21/39/607542139.db2.gz PMSNETIMJOJSDH-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000825039119 607548180 /nfs/dbraw/zinc/54/81/80/607548180.db2.gz MPNGVDXDQUJZDE-GFCCVEGCSA-N -1 3 319.434 2.969 20 0 DFADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000825039119 607548181 /nfs/dbraw/zinc/54/81/81/607548181.db2.gz MPNGVDXDQUJZDE-GFCCVEGCSA-N -1 3 319.434 2.969 20 0 DFADHM CCC(CC)[C@H](CCNc1ccc(-c2nnn[n-]2)nc1)OC ZINC000825095168 607564562 /nfs/dbraw/zinc/56/45/62/607564562.db2.gz FISPEMVFABONGG-AWEZNQCLSA-N -1 3 304.398 2.515 20 0 DFADHM CCC(CC)[C@H](CCNc1ccc(-c2nn[n-]n2)nc1)OC ZINC000825095168 607564563 /nfs/dbraw/zinc/56/45/63/607564563.db2.gz FISPEMVFABONGG-AWEZNQCLSA-N -1 3 304.398 2.515 20 0 DFADHM COc1ccc(CN(C)C[C@H]2CCCN(C(=O)[O-])C2)c(OC)c1 ZINC000739909787 602451815 /nfs/dbraw/zinc/45/18/15/602451815.db2.gz QRQGVXPTDFXSEW-CYBMUJFWSA-N -1 3 322.405 2.526 20 0 DFADHM CN(CCCNCc1ccccc1Br)C(=O)[O-] ZINC000739685849 602648777 /nfs/dbraw/zinc/64/87/77/602648777.db2.gz YIBMIQPWLOKNHV-UHFFFAOYSA-N -1 3 301.184 2.539 20 0 DFADHM O=C([O-])NCCN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000740659884 603084463 /nfs/dbraw/zinc/08/44/63/603084463.db2.gz XHTDDKHPZSGRRY-UHFFFAOYSA-N -1 3 317.364 2.533 20 0 DFADHM CC1=C(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)CCC1 ZINC000824853005 607614330 /nfs/dbraw/zinc/61/43/30/607614330.db2.gz UUFLXDSCUFKHFF-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM CC1=C(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)CCC1 ZINC000824853005 607614331 /nfs/dbraw/zinc/61/43/31/607614331.db2.gz UUFLXDSCUFKHFF-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM CC1=C(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC000824852929 607614643 /nfs/dbraw/zinc/61/46/43/607614643.db2.gz TZLMTCBTUPUPHT-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM CC1=C(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC000824852929 607614644 /nfs/dbraw/zinc/61/46/44/607614644.db2.gz TZLMTCBTUPUPHT-UHFFFAOYSA-N -1 3 302.309 2.549 20 0 DFADHM CC[C@H](SC)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825159109 607616178 /nfs/dbraw/zinc/61/61/78/607616178.db2.gz JDCCYOOLJFQFIR-SKDRFNHKSA-N -1 3 306.391 2.613 20 0 DFADHM CC[C@H](SC)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825159109 607616179 /nfs/dbraw/zinc/61/61/79/607616179.db2.gz JDCCYOOLJFQFIR-SKDRFNHKSA-N -1 3 306.391 2.613 20 0 DFADHM CN(Cc1ccc(C(F)(F)F)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828356371 603484476 /nfs/dbraw/zinc/48/44/76/603484476.db2.gz YWBVCRGOKPGYMJ-LBPRGKRZSA-N -1 3 302.296 2.890 20 0 DFADHM CN(C)C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000828017584 603532161 /nfs/dbraw/zinc/53/21/61/603532161.db2.gz 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DFADHM CCc1cccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000825722481 607755314 /nfs/dbraw/zinc/75/53/14/607755314.db2.gz HRMQENCXHJQRNN-UHFFFAOYSA-N -1 3 321.384 2.919 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3nc4ccccc4o3)C[C@H]21 ZINC000834183398 605451266 /nfs/dbraw/zinc/45/12/66/605451266.db2.gz PCIFJGGCAIBODY-YNEHKIRRSA-N -1 3 315.373 2.696 20 0 DFADHM O=C([O-])NC[C@H]1CCC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000834215946 605647278 /nfs/dbraw/zinc/64/72/78/605647278.db2.gz RLCXTMILFZTAKH-DOMZBBRYSA-N -1 3 306.410 2.524 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2C[C@H](C(F)(F)F)CC[C@H]2C)O1 ZINC000833583232 605703092 /nfs/dbraw/zinc/70/30/92/605703092.db2.gz IOWCJHLICOJUNH-FBIMIBRVSA-N -1 3 307.312 2.797 20 0 DFADHM O=C([O-])N[C@@H]1C[C@H](NCc2cccc(CO)c2)c2ccccc21 ZINC000834159257 605798328 /nfs/dbraw/zinc/79/83/28/605798328.db2.gz RNSQCYRUPGXLPP-DLBZAZTESA-N -1 3 312.369 2.722 20 0 DFADHM O=C([O-])N[C@H](CN[C@@H]1CCCOc2ccc(F)cc21)C1CC1 ZINC000834150796 605855593 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CCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000821154177 606019714 /nfs/dbraw/zinc/01/97/14/606019714.db2.gz KVFGNRXACONCNS-UHFFFAOYSA-N -1 3 318.356 2.802 20 0 DFADHM CCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000821154177 606019720 /nfs/dbraw/zinc/01/97/20/606019720.db2.gz KVFGNRXACONCNS-UHFFFAOYSA-N -1 3 318.356 2.802 20 0 DFADHM FC(F)(F)[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC000822714448 606035317 /nfs/dbraw/zinc/03/53/17/606035317.db2.gz NFUAFPRSZBDDAE-DTWKUNHWSA-N -1 3 312.299 2.795 20 0 DFADHM FC(F)(F)[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC000822714448 606035322 /nfs/dbraw/zinc/03/53/22/606035322.db2.gz NFUAFPRSZBDDAE-DTWKUNHWSA-N -1 3 312.299 2.795 20 0 DFADHM CCO[C@@H](CCNc1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC000821350881 606038847 /nfs/dbraw/zinc/03/88/47/606038847.db2.gz FUKIJHMCIJUEIR-ZDUSSCGKSA-N -1 3 307.373 2.869 20 0 DFADHM CCO[C@@H](CCNc1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC000821350881 606038850 /nfs/dbraw/zinc/03/88/50/606038850.db2.gz FUKIJHMCIJUEIR-ZDUSSCGKSA-N -1 3 307.373 2.869 20 0 DFADHM c1cc(CSc2nnc(C3CC3)s2)cc(-c2nnn[n-]2)c1 ZINC000823751320 606052232 /nfs/dbraw/zinc/05/22/32/606052232.db2.gz GALUTAOITPPCOI-UHFFFAOYSA-N -1 3 316.415 2.888 20 0 DFADHM c1cc(CSc2nnc(C3CC3)s2)cc(-c2nn[n-]n2)c1 ZINC000823751320 606052238 /nfs/dbraw/zinc/05/22/38/606052238.db2.gz GALUTAOITPPCOI-UHFFFAOYSA-N -1 3 316.415 2.888 20 0 DFADHM CC(C)COc1cccc(CNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000820102524 606052963 /nfs/dbraw/zinc/05/29/63/606052963.db2.gz AGYUZPMEMNCRHJ-UHFFFAOYSA-N -1 3 324.388 2.909 20 0 DFADHM CC(C)COc1cccc(CNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000820102524 606052966 /nfs/dbraw/zinc/05/29/66/606052966.db2.gz AGYUZPMEMNCRHJ-UHFFFAOYSA-N -1 3 324.388 2.909 20 0 DFADHM CC(C)(CNc1ccc(-c2nnn[n-]2)nc1)c1ccccc1F ZINC000819983814 606066054 /nfs/dbraw/zinc/06/60/54/606066054.db2.gz GMGWGJPHIHYGJC-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM CC(C)(CNc1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC000819983814 606066061 /nfs/dbraw/zinc/06/60/61/606066061.db2.gz GMGWGJPHIHYGJC-UHFFFAOYSA-N -1 3 312.352 2.791 20 0 DFADHM Cc1ccccc1[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000822352023 606067518 /nfs/dbraw/zinc/06/75/18/606067518.db2.gz UJQXYRLQPBASPF-CYBMUJFWSA-N -1 3 306.373 2.564 20 0 DFADHM Cc1ccccc1[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000822352023 606067522 /nfs/dbraw/zinc/06/75/22/606067522.db2.gz UJQXYRLQPBASPF-CYBMUJFWSA-N -1 3 306.373 2.564 20 0 DFADHM C[C@@]1(c2ccccc2)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820636017 606086775 /nfs/dbraw/zinc/08/67/75/606086775.db2.gz ORJRIHIIEPWUTG-GOSISDBHSA-N -1 3 320.400 2.820 20 0 DFADHM C[C@@]1(c2ccccc2)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820636017 606086778 /nfs/dbraw/zinc/08/67/78/606086778.db2.gz ORJRIHIIEPWUTG-GOSISDBHSA-N -1 3 320.400 2.820 20 0 DFADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820664781 606089348 /nfs/dbraw/zinc/08/93/48/606089348.db2.gz BXJGDEDNGIDAOD-DGCLKSJQSA-N -1 3 324.363 2.783 20 0 DFADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820664781 606089353 /nfs/dbraw/zinc/08/93/53/606089353.db2.gz BXJGDEDNGIDAOD-DGCLKSJQSA-N -1 3 324.363 2.783 20 0 DFADHM CCC(CC)c1cc(CNc2ccc(-c3nnn[n-]3)nc2)on1 ZINC000820898277 606091473 /nfs/dbraw/zinc/09/14/73/606091473.db2.gz YDKJROFIMSPUEN-UHFFFAOYSA-N -1 3 313.365 2.765 20 0 DFADHM CCC(CC)c1cc(CNc2ccc(-c3nn[n-]n3)nc2)on1 ZINC000820898277 606091478 /nfs/dbraw/zinc/09/14/78/606091478.db2.gz YDKJROFIMSPUEN-UHFFFAOYSA-N -1 3 313.365 2.765 20 0 DFADHM CN(Cc1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000821608532 606098904 /nfs/dbraw/zinc/09/89/04/606098904.db2.gz LIDHANQYZFXESA-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CN(Cc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000821608532 606098905 /nfs/dbraw/zinc/09/89/05/606098905.db2.gz LIDHANQYZFXESA-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CCS[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000821457060 606105714 /nfs/dbraw/zinc/10/57/14/606105714.db2.gz UKQNFEPCRJTNGT-VXGBXAGGSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000821457060 606105715 /nfs/dbraw/zinc/10/57/15/606105715.db2.gz UKQNFEPCRJTNGT-VXGBXAGGSA-N -1 3 304.423 2.738 20 0 DFADHM CC(C)(C)c1cnc(CNc2cccc(F)c2-c2nnn[n-]2)o1 ZINC000819965403 606138231 /nfs/dbraw/zinc/13/82/31/606138231.db2.gz FQDJMHYYEQJVNJ-UHFFFAOYSA-N -1 3 316.340 2.903 20 0 DFADHM CC(C)(C)c1cnc(CNc2cccc(F)c2-c2nn[n-]n2)o1 ZINC000819965403 606138233 /nfs/dbraw/zinc/13/82/33/606138233.db2.gz FQDJMHYYEQJVNJ-UHFFFAOYSA-N -1 3 316.340 2.903 20 0 DFADHM C[C@H]1[C@H](Cc2ccccc2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000820643142 606138633 /nfs/dbraw/zinc/13/86/33/606138633.db2.gz QSNAEJIFBXCKOL-ZFWWWQNUSA-N -1 3 320.400 2.719 20 0 DFADHM C[C@H]1[C@H](Cc2ccccc2)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000820643142 606138634 /nfs/dbraw/zinc/13/86/34/606138634.db2.gz QSNAEJIFBXCKOL-ZFWWWQNUSA-N -1 3 320.400 2.719 20 0 DFADHM CCc1ccc(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821486617 606148284 /nfs/dbraw/zinc/14/82/84/606148284.db2.gz IRTUAVGMMLHIJA-UHFFFAOYSA-N -1 3 322.368 2.715 20 0 DFADHM CCc1ccc(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821486617 606148286 /nfs/dbraw/zinc/14/82/86/606148286.db2.gz IRTUAVGMMLHIJA-UHFFFAOYSA-N -1 3 322.368 2.715 20 0 DFADHM Cc1ccc([S@@](=O)Cc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822267429 606156081 /nfs/dbraw/zinc/15/60/81/606156081.db2.gz SRCSZQIWXGPSME-QFIPXVFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1ccc([S@@](=O)Cc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822267429 606156083 /nfs/dbraw/zinc/15/60/83/606156083.db2.gz SRCSZQIWXGPSME-QFIPXVFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1ccc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)cn1 ZINC000822236065 606218498 /nfs/dbraw/zinc/21/84/98/606218498.db2.gz IJMAHGFTHDOCMZ-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1ccc(CCNc2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC000822236065 606218499 /nfs/dbraw/zinc/21/84/99/606218499.db2.gz IJMAHGFTHDOCMZ-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1csc(C(C)(C)NCc2cc(-c3nnn[n-]3)cs2)n1 ZINC000822408989 606220744 /nfs/dbraw/zinc/22/07/44/606220744.db2.gz LRFQMTCHYMDILF-UHFFFAOYSA-N -1 3 320.447 2.718 20 0 DFADHM Cc1csc(C(C)(C)NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC000822408989 606220745 /nfs/dbraw/zinc/22/07/45/606220745.db2.gz LRFQMTCHYMDILF-UHFFFAOYSA-N -1 3 320.447 2.718 20 0 DFADHM CCC[C@H](C)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821014257 606224785 /nfs/dbraw/zinc/22/47/85/606224785.db2.gz CPWSWWLMRBBXGD-NSHDSACASA-N -1 3 320.418 2.832 20 0 DFADHM CCC[C@H](C)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821014257 606224787 /nfs/dbraw/zinc/22/47/87/606224787.db2.gz CPWSWWLMRBBXGD-NSHDSACASA-N -1 3 320.418 2.832 20 0 DFADHM C[C@@]1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623151 606243062 /nfs/dbraw/zinc/24/30/62/606243062.db2.gz GTCHOGOJRUYXQF-HIFRSBDPSA-N -1 3 321.812 2.873 20 0 DFADHM C[C@@]1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623151 606243064 /nfs/dbraw/zinc/24/30/64/606243064.db2.gz GTCHOGOJRUYXQF-HIFRSBDPSA-N -1 3 321.812 2.873 20 0 DFADHM O=C(Nc1ccc2ccccc2c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823355488 606245729 /nfs/dbraw/zinc/24/57/29/606245729.db2.gz DFIUXOKWAAOMDW-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1ccc2ccccc2c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823355488 606245732 /nfs/dbraw/zinc/24/57/32/606245732.db2.gz DFIUXOKWAAOMDW-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM Cc1ccccc1N(C(=O)c1cc(-c2nnn[n-]2)cn1C)C(C)C ZINC000822362111 606248435 /nfs/dbraw/zinc/24/84/35/606248435.db2.gz MOLCHUAEQHFABK-UHFFFAOYSA-N -1 3 324.388 2.569 20 0 DFADHM Cc1ccccc1N(C(=O)c1cc(-c2nn[n-]n2)cn1C)C(C)C ZINC000822362111 606248437 /nfs/dbraw/zinc/24/84/37/606248437.db2.gz MOLCHUAEQHFABK-UHFFFAOYSA-N -1 3 324.388 2.569 20 0 DFADHM CC(C)CCCCCCNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820072507 606276603 /nfs/dbraw/zinc/27/66/03/606276603.db2.gz ICBJNIVUYUZOIF-UHFFFAOYSA-N -1 3 318.425 2.542 20 0 DFADHM CC(C)CCCCCCNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820072507 606276605 /nfs/dbraw/zinc/27/66/05/606276605.db2.gz ICBJNIVUYUZOIF-UHFFFAOYSA-N -1 3 318.425 2.542 20 0 DFADHM Cc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(O)c1 ZINC000822227876 606346950 /nfs/dbraw/zinc/34/69/50/606346950.db2.gz ZGLGVNOCJFRYEI-LLVKDONJSA-N -1 3 324.340 2.799 20 0 DFADHM Cc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(O)c1 ZINC000822227876 606346951 /nfs/dbraw/zinc/34/69/51/606346951.db2.gz ZGLGVNOCJFRYEI-LLVKDONJSA-N -1 3 324.340 2.799 20 0 DFADHM Cc1cccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1O ZINC000822284172 606346978 /nfs/dbraw/zinc/34/69/78/606346978.db2.gz LEHJUHOAPTZUPX-NSHDSACASA-N -1 3 324.340 2.799 20 0 DFADHM Cc1cccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000822284172 606346980 /nfs/dbraw/zinc/34/69/80/606346980.db2.gz LEHJUHOAPTZUPX-NSHDSACASA-N -1 3 324.340 2.799 20 0 DFADHM CCCCO[C@@H](C)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821071581 606351611 /nfs/dbraw/zinc/35/16/11/606351611.db2.gz JISPDLYOAULQGL-NEPJUHHUSA-N -1 3 318.377 2.676 20 0 DFADHM CCCCO[C@@H](C)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821071581 606351613 /nfs/dbraw/zinc/35/16/13/606351613.db2.gz JISPDLYOAULQGL-NEPJUHHUSA-N -1 3 318.377 2.676 20 0 DFADHM Cc1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822467499 606351810 /nfs/dbraw/zinc/35/18/10/606351810.db2.gz OAQHBEAYRJGXLO-MRVPVSSYSA-N -1 3 315.358 2.550 20 0 DFADHM Cc1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822467499 606351812 /nfs/dbraw/zinc/35/18/12/606351812.db2.gz OAQHBEAYRJGXLO-MRVPVSSYSA-N -1 3 315.358 2.550 20 0 DFADHM CCCSCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821138489 606352996 /nfs/dbraw/zinc/35/29/96/606352996.db2.gz AKXBNAUNELRBAT-SNVBAGLBSA-N -1 3 306.391 2.614 20 0 DFADHM CCCSCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821138489 606352998 /nfs/dbraw/zinc/35/29/98/606352998.db2.gz AKXBNAUNELRBAT-SNVBAGLBSA-N -1 3 306.391 2.614 20 0 DFADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820649078 606362460 /nfs/dbraw/zinc/36/24/60/606362460.db2.gz IGYPRTPTHRCMCA-ONGXEEELSA-N -1 3 319.434 2.873 20 0 DFADHM 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606727704 /nfs/dbraw/zinc/72/77/04/606727704.db2.gz DKUWOJUVCBYDNN-OASPWFOLSA-N -1 3 321.331 2.514 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000822736350 606727705 /nfs/dbraw/zinc/72/77/05/606727705.db2.gz DKUWOJUVCBYDNN-OASPWFOLSA-N -1 3 321.331 2.514 20 0 DFADHM CC(C)c1cccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820198418 606737164 /nfs/dbraw/zinc/73/71/64/606737164.db2.gz VFTKCYIIVMJHNN-UHFFFAOYSA-N -1 3 323.356 2.742 20 0 DFADHM CC(C)c1cccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820198418 606737166 /nfs/dbraw/zinc/73/71/66/606737166.db2.gz VFTKCYIIVMJHNN-UHFFFAOYSA-N -1 3 323.356 2.742 20 0 DFADHM CC1(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000820623017 606761952 /nfs/dbraw/zinc/76/19/52/606761952.db2.gz BWODPKWATAAMCB-UHFFFAOYSA-N -1 3 314.389 2.923 20 0 DFADHM CC1(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000820623017 606761953 /nfs/dbraw/zinc/76/19/53/606761953.db2.gz BWODPKWATAAMCB-UHFFFAOYSA-N -1 3 314.389 2.923 20 0 DFADHM CCCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821026765 606765357 /nfs/dbraw/zinc/76/53/57/606765357.db2.gz BOIHPDWBSFNLJF-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CCCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821026765 606765358 /nfs/dbraw/zinc/76/53/58/606765358.db2.gz BOIHPDWBSFNLJF-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820980663 606768241 /nfs/dbraw/zinc/76/82/41/606768241.db2.gz MJHMGQGYNOLXNK-GWCFXTLKSA-N -1 3 300.366 2.567 20 0 DFADHM CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820980663 606768242 /nfs/dbraw/zinc/76/82/42/606768242.db2.gz MJHMGQGYNOLXNK-GWCFXTLKSA-N -1 3 300.366 2.567 20 0 DFADHM CC(C)n1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000820215423 606779953 /nfs/dbraw/zinc/77/99/53/606779953.db2.gz VELKMKDOZYARIU-UHFFFAOYSA-N -1 3 318.768 2.877 20 0 DFADHM CC(C)n1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000820215423 606779955 /nfs/dbraw/zinc/77/99/55/606779955.db2.gz VELKMKDOZYARIU-UHFFFAOYSA-N -1 3 318.768 2.877 20 0 DFADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCOCC1 ZINC000820455959 606791358 /nfs/dbraw/zinc/79/13/58/606791358.db2.gz OQMXBVYMVNPOOM-SECBINFHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCOCC1 ZINC000820455959 606791360 /nfs/dbraw/zinc/79/13/60/606791360.db2.gz OQMXBVYMVNPOOM-SECBINFHSA-N -1 3 307.785 2.747 20 0 DFADHM CC[C@H](C)CS[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820870803 606795839 /nfs/dbraw/zinc/79/58/39/606795839.db2.gz ZTLQVEXFCVLOHB-QWRGUYRKSA-N -1 3 319.434 2.973 20 0 DFADHM CC[C@H](C)CS[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820870803 606795841 /nfs/dbraw/zinc/79/58/41/606795841.db2.gz ZTLQVEXFCVLOHB-QWRGUYRKSA-N -1 3 319.434 2.973 20 0 DFADHM c1ccc2nc(NC[C@H]3CCCS3)c(-c3nnn[n-]3)cc2c1 ZINC000823802183 606800511 /nfs/dbraw/zinc/80/05/11/606800511.db2.gz ITHCOMMWRUINQT-LLVKDONJSA-N -1 3 312.402 2.722 20 0 DFADHM c1ccc2nc(NC[C@H]3CCCS3)c(-c3nn[n-]n3)cc2c1 ZINC000823802183 606800513 /nfs/dbraw/zinc/80/05/13/606800513.db2.gz ITHCOMMWRUINQT-LLVKDONJSA-N -1 3 312.402 2.722 20 0 DFADHM FC(F)(F)c1cccc(OCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822729281 606811285 /nfs/dbraw/zinc/81/12/85/606811285.db2.gz ZRZRRBNOJNJEHG-UHFFFAOYSA-N -1 3 321.262 2.860 20 0 DFADHM FC(F)(F)c1cccc(OCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822729281 606811287 /nfs/dbraw/zinc/81/12/87/606811287.db2.gz ZRZRRBNOJNJEHG-UHFFFAOYSA-N -1 3 321.262 2.860 20 0 DFADHM CC(=CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)(C)C ZINC000819765271 606827731 /nfs/dbraw/zinc/82/77/31/606827731.db2.gz NEDPMUPJYJCJGE-VQHVLOKHSA-N -1 3 301.350 2.503 20 0 DFADHM C/C(=C\C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)(C)C ZINC000819765271 606827732 /nfs/dbraw/zinc/82/77/32/606827732.db2.gz NEDPMUPJYJCJGE-VQHVLOKHSA-N -1 3 301.350 2.503 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(F)=C1CCCC1 ZINC000823332536 606834982 /nfs/dbraw/zinc/83/49/82/606834982.db2.gz ORZZHDWBBUFWKV-UHFFFAOYSA-N -1 3 305.288 2.742 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(F)=C1CCCC1 ZINC000823332536 606834984 /nfs/dbraw/zinc/83/49/84/606834984.db2.gz ORZZHDWBBUFWKV-UHFFFAOYSA-N -1 3 305.288 2.742 20 0 DFADHM CCC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000821041088 606872566 /nfs/dbraw/zinc/87/25/66/606872566.db2.gz YZBZGELXRWVHLC-JTQLQIEISA-N -1 3 305.407 2.581 20 0 DFADHM CCC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000821041088 606872567 /nfs/dbraw/zinc/87/25/67/606872567.db2.gz YZBZGELXRWVHLC-JTQLQIEISA-N -1 3 305.407 2.581 20 0 DFADHM C[C@@H](Nc1ncnc2c1CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462578 606873449 /nfs/dbraw/zinc/87/34/49/606873449.db2.gz YWAMTKWWASORCM-LLVKDONJSA-N -1 3 321.388 2.709 20 0 DFADHM C[C@@H](Nc1ncnc2c1CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462578 606873451 /nfs/dbraw/zinc/87/34/51/606873451.db2.gz YWAMTKWWASORCM-LLVKDONJSA-N -1 3 321.388 2.709 20 0 DFADHM C[C@H](Nc1ncnc2c1CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820462312 606874316 /nfs/dbraw/zinc/87/43/16/606874316.db2.gz XHBVQLZLAYHTQF-NSHDSACASA-N -1 3 321.388 2.709 20 0 DFADHM C[C@H](Nc1ncnc2c1CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820462312 606874318 /nfs/dbraw/zinc/87/43/18/606874318.db2.gz XHBVQLZLAYHTQF-NSHDSACASA-N -1 3 321.388 2.709 20 0 DFADHM CCC[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821041086 606875398 /nfs/dbraw/zinc/87/53/98/606875398.db2.gz YYJFZPKMBYBWCI-JTQLQIEISA-N -1 3 306.801 2.932 20 0 DFADHM CCC[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821041086 606875399 /nfs/dbraw/zinc/87/53/99/606875399.db2.gz YYJFZPKMBYBWCI-JTQLQIEISA-N -1 3 306.801 2.932 20 0 DFADHM Cc1nc(CCNc2cccc(F)c2-c2nnn[n-]2)sc1C ZINC000822439861 606875870 /nfs/dbraw/zinc/87/58/70/606875870.db2.gz DYFVCOMOUGSKKE-UHFFFAOYSA-N -1 3 318.381 2.734 20 0 DFADHM Cc1nc(CCNc2cccc(F)c2-c2nn[n-]n2)sc1C ZINC000822439861 606875871 /nfs/dbraw/zinc/87/58/71/606875871.db2.gz DYFVCOMOUGSKKE-UHFFFAOYSA-N -1 3 318.381 2.734 20 0 DFADHM Fc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)nc1 ZINC000822771344 606881980 /nfs/dbraw/zinc/88/19/80/606881980.db2.gz GDUZLJPCKXCTNI-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM Fc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)nc1 ZINC000822771344 606881981 /nfs/dbraw/zinc/88/19/81/606881981.db2.gz GDUZLJPCKXCTNI-UHFFFAOYSA-N -1 3 304.716 2.666 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccnc(Cl)c1 ZINC000821613672 606919475 /nfs/dbraw/zinc/91/94/75/606919475.db2.gz XVBDHHKTWRKOIR-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccnc(Cl)c1 ZINC000821613672 606919476 /nfs/dbraw/zinc/91/94/76/606919476.db2.gz XVBDHHKTWRKOIR-UHFFFAOYSA-N -1 3 300.753 2.552 20 0 DFADHM CC(=O)c1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000819844754 606925079 /nfs/dbraw/zinc/92/50/79/606925079.db2.gz MASGATPHZDGQTP-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM CC(=O)c1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000819844754 606925080 /nfs/dbraw/zinc/92/50/80/606925080.db2.gz MASGATPHZDGQTP-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM COc1cc(F)c(NCc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821719725 606931382 /nfs/dbraw/zinc/93/13/82/606931382.db2.gz IJWAAKUEITYTMD-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1cc(F)c(NCc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821719725 606931383 /nfs/dbraw/zinc/93/13/83/606931383.db2.gz IJWAAKUEITYTMD-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM O=C(Nc1cc(F)cc(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823299394 606966654 /nfs/dbraw/zinc/96/66/54/606966654.db2.gz VLOXQVAJTOSPDL-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1cc(F)cc(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299394 606966656 /nfs/dbraw/zinc/96/66/56/606966656.db2.gz VLOXQVAJTOSPDL-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820690125 607001384 /nfs/dbraw/zinc/00/13/84/607001384.db2.gz GWDXWSNLEXBYGL-CMPLNLGQSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820690125 607001386 /nfs/dbraw/zinc/00/13/86/607001386.db2.gz GWDXWSNLEXBYGL-CMPLNLGQSA-N -1 3 318.352 2.875 20 0 DFADHM Cc1nn(C)c(Cl)c1CSc1cccc(-c2nnn[n-]2)c1 ZINC000822496214 607012322 /nfs/dbraw/zinc/01/23/22/607012322.db2.gz FHMSRTZZDVYMHI-UHFFFAOYSA-N -1 3 320.809 2.854 20 0 DFADHM Cc1nn(C)c(Cl)c1CSc1cccc(-c2nn[n-]n2)c1 ZINC000822496214 607012323 /nfs/dbraw/zinc/01/23/23/607012323.db2.gz FHMSRTZZDVYMHI-UHFFFAOYSA-N -1 3 320.809 2.854 20 0 DFADHM CCCC[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000821042764 607014909 /nfs/dbraw/zinc/01/49/09/607014909.db2.gz HOECTGOTYXAHNQ-LBPRGKRZSA-N -1 3 306.391 2.691 20 0 DFADHM CCCC[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000821042764 607014911 /nfs/dbraw/zinc/01/49/11/607014911.db2.gz HOECTGOTYXAHNQ-LBPRGKRZSA-N -1 3 306.391 2.691 20 0 DFADHM Cc1cn(Cc2ccc(Br)cc2)cc1-c1nnn[n-]1 ZINC000822385162 607022163 /nfs/dbraw/zinc/02/21/63/607022163.db2.gz YPNNLOJAWADFRL-UHFFFAOYSA-N -1 3 318.178 2.787 20 0 DFADHM Cc1cn(Cc2ccc(Br)cc2)cc1-c1nn[n-]n1 ZINC000822385162 607022165 /nfs/dbraw/zinc/02/21/65/607022165.db2.gz YPNNLOJAWADFRL-UHFFFAOYSA-N -1 3 318.178 2.787 20 0 DFADHM Cc1cn(Cc2coc(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000822384733 607022178 /nfs/dbraw/zinc/02/21/78/607022178.db2.gz QKZPQKCWFFFQFE-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1cn(Cc2coc(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000822384733 607022179 /nfs/dbraw/zinc/02/21/79/607022179.db2.gz QKZPQKCWFFFQFE-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1cn(Cc2ccc(OC(F)F)cc2)cc1-c1nnn[n-]1 ZINC000822384908 607022235 /nfs/dbraw/zinc/02/22/35/607022235.db2.gz UPLZCURGNATRQN-UHFFFAOYSA-N -1 3 305.288 2.626 20 0 DFADHM Cc1cn(Cc2ccc(OC(F)F)cc2)cc1-c1nn[n-]n1 ZINC000822384908 607022236 /nfs/dbraw/zinc/02/22/36/607022236.db2.gz UPLZCURGNATRQN-UHFFFAOYSA-N -1 3 305.288 2.626 20 0 DFADHM Fc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822778676 607033653 /nfs/dbraw/zinc/03/36/53/607033653.db2.gz MKAQQFPXJCREPQ-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822778676 607033656 /nfs/dbraw/zinc/03/36/56/607033656.db2.gz MKAQQFPXJCREPQ-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM CCC(=O)c1ccc(Oc2ncccc2-c2nnn[n-]2)c(F)c1 ZINC000820841594 607035046 /nfs/dbraw/zinc/03/50/46/607035046.db2.gz AJWHHGVBGWJFCB-UHFFFAOYSA-N -1 3 313.292 2.786 20 0 DFADHM CC(C)(C)OC1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819946943 607043585 /nfs/dbraw/zinc/04/35/85/607043585.db2.gz XLIHLRFUFQEXPK-UHFFFAOYSA-N -1 3 301.394 2.651 20 0 DFADHM CC(C)CO[C@@H]1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820098494 607044492 /nfs/dbraw/zinc/04/44/92/607044492.db2.gz ZVLXBMLHEPDMIM-GFCCVEGCSA-N -1 3 321.812 2.771 20 0 DFADHM CC(C)CO[C@@H]1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820098494 607044493 /nfs/dbraw/zinc/04/44/93/607044493.db2.gz ZVLXBMLHEPDMIM-GFCCVEGCSA-N -1 3 321.812 2.771 20 0 DFADHM Cc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822227239 607073790 /nfs/dbraw/zinc/07/37/90/607073790.db2.gz AQWOZDURAGOIQF-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822227239 607073792 /nfs/dbraw/zinc/07/37/92/607073792.db2.gz AQWOZDURAGOIQF-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1CC12CCCC2 ZINC000823413863 607086533 /nfs/dbraw/zinc/08/65/33/607086533.db2.gz OPICGJQLMWNSOU-ZDUSSCGKSA-N -1 3 316.336 2.629 20 0 DFADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H]1CC12CCCC2 ZINC000823413863 607086534 /nfs/dbraw/zinc/08/65/34/607086534.db2.gz OPICGJQLMWNSOU-ZDUSSCGKSA-N -1 3 316.336 2.629 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1C ZINC000821309642 607100369 /nfs/dbraw/zinc/10/03/69/607100369.db2.gz QFRZHPLNXCQWBO-UHFFFAOYSA-N -1 3 322.372 2.859 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CCCCC1 ZINC000821294867 607101701 /nfs/dbraw/zinc/10/17/01/607101701.db2.gz YZUXGRFQBRAHLX-UHFFFAOYSA-N -1 3 314.393 2.817 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CC12CCC2 ZINC000823303774 607142950 /nfs/dbraw/zinc/14/29/50/607142950.db2.gz UTSWJFFJJGPYQM-SNVBAGLBSA-N -1 3 303.753 2.649 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CC12CCC2 ZINC000823303774 607142952 /nfs/dbraw/zinc/14/29/52/607142952.db2.gz UTSWJFFJJGPYQM-SNVBAGLBSA-N -1 3 303.753 2.649 20 0 DFADHM c1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000823787726 607168602 /nfs/dbraw/zinc/16/86/02/607168602.db2.gz PTWIEGIPADHFHG-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM c1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000823787726 607168603 /nfs/dbraw/zinc/16/86/03/607168603.db2.gz PTWIEGIPADHFHG-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM CCCc1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)o1 ZINC000821142292 607169462 /nfs/dbraw/zinc/16/94/62/607169462.db2.gz GBAUSFXGRCIBCJ-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM CCCc1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)o1 ZINC000821142292 607169463 /nfs/dbraw/zinc/16/94/63/607169463.db2.gz GBAUSFXGRCIBCJ-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM Fc1ccc(CCNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822766217 607172255 /nfs/dbraw/zinc/17/22/55/607172255.db2.gz GEDDHFMXKWPQEI-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM Fc1ccc(CCNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822766217 607172256 /nfs/dbraw/zinc/17/22/56/607172256.db2.gz GEDDHFMXKWPQEI-UHFFFAOYSA-N -1 3 301.300 2.800 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(C)o1 ZINC000822177445 607189195 /nfs/dbraw/zinc/18/91/95/607189195.db2.gz ZRKJLVXRVUZKCP-UHFFFAOYSA-N -1 3 317.736 2.982 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(C)o1 ZINC000822177445 607189196 /nfs/dbraw/zinc/18/91/96/607189196.db2.gz ZRKJLVXRVUZKCP-UHFFFAOYSA-N -1 3 317.736 2.982 20 0 DFADHM O=C(NCC1CCCC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823175415 607196157 /nfs/dbraw/zinc/19/61/57/607196157.db2.gz HXMGVLLZSGKYTA-UHFFFAOYSA-N -1 3 320.784 2.832 20 0 DFADHM O=C(NCC1CCCC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823175415 607196158 /nfs/dbraw/zinc/19/61/58/607196158.db2.gz HXMGVLLZSGKYTA-UHFFFAOYSA-N -1 3 320.784 2.832 20 0 DFADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820697547 607199162 /nfs/dbraw/zinc/19/91/62/607199162.db2.gz ITDCRRJRVCAEKS-LDYMZIIASA-N -1 3 320.784 2.830 20 0 DFADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820697547 607199163 /nfs/dbraw/zinc/19/91/63/607199163.db2.gz ITDCRRJRVCAEKS-LDYMZIIASA-N -1 3 320.784 2.830 20 0 DFADHM Cc1cc(CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)no1 ZINC000822201262 607228356 /nfs/dbraw/zinc/22/83/56/607228356.db2.gz XVUMXKPKNQYVAX-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM Cc1cc(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)no1 ZINC000822201262 607228357 /nfs/dbraw/zinc/22/83/57/607228357.db2.gz XVUMXKPKNQYVAX-UHFFFAOYSA-N -1 3 324.266 2.794 20 0 DFADHM CCc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)oc1CC ZINC000821471138 607235551 /nfs/dbraw/zinc/23/55/51/607235551.db2.gz VTSCULCZMHGBJE-UHFFFAOYSA-N -1 3 317.374 2.898 20 0 DFADHM CCc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)oc1CC ZINC000821471138 607235552 /nfs/dbraw/zinc/23/55/52/607235552.db2.gz VTSCULCZMHGBJE-UHFFFAOYSA-N -1 3 317.374 2.898 20 0 DFADHM O=C(C=Cc1ccccc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822929701 607244673 /nfs/dbraw/zinc/24/46/73/607244673.db2.gz XHIMORLWJVQRGX-RMKNXTFCSA-N -1 3 310.288 2.625 20 0 DFADHM O=C(C=Cc1ccccc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822929701 607244674 /nfs/dbraw/zinc/24/46/74/607244674.db2.gz XHIMORLWJVQRGX-RMKNXTFCSA-N -1 3 310.288 2.625 20 0 DFADHM CCCCS[C@@H](C)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825296418 607788639 /nfs/dbraw/zinc/78/86/39/607788639.db2.gz IEIOYRRFRWYNAP-NSHDSACASA-N -1 3 319.434 2.751 20 0 DFADHM CCCCS[C@@H](C)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825296418 607788640 /nfs/dbraw/zinc/78/86/40/607788640.db2.gz IEIOYRRFRWYNAP-NSHDSACASA-N -1 3 319.434 2.751 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000824040440 607790145 /nfs/dbraw/zinc/79/01/45/607790145.db2.gz PTGHCNUYIJTIMF-SNVBAGLBSA-N -1 3 313.386 2.695 20 0 DFADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000824040440 607790144 /nfs/dbraw/zinc/79/01/44/607790144.db2.gz PTGHCNUYIJTIMF-SNVBAGLBSA-N -1 3 313.386 2.695 20 0 DFADHM CCN(C(=O)c1ccc(Cl)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385485 607799168 /nfs/dbraw/zinc/79/91/68/607799168.db2.gz HNCAZCRJGPUZQZ-UHFFFAOYSA-N -1 3 317.736 2.780 20 0 DFADHM CCN(C(=O)c1ccc(Cl)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385485 607799167 /nfs/dbraw/zinc/79/91/67/607799167.db2.gz HNCAZCRJGPUZQZ-UHFFFAOYSA-N -1 3 317.736 2.780 20 0 DFADHM CC(C)(CNC(=O)c1sccc1-c1nnn[n-]1)C1CCCC1 ZINC000824158446 607803027 /nfs/dbraw/zinc/80/30/27/607803027.db2.gz XBUCJYRNYLWFAQ-UHFFFAOYSA-N -1 3 319.434 2.874 20 0 DFADHM CC(C)(CNC(=O)c1sccc1-c1nn[n-]n1)C1CCCC1 ZINC000824158446 607803028 /nfs/dbraw/zinc/80/30/28/607803028.db2.gz XBUCJYRNYLWFAQ-UHFFFAOYSA-N -1 3 319.434 2.874 20 0 DFADHM O=C(NCCC1=CCCC1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826436555 607804351 /nfs/dbraw/zinc/80/43/51/607804351.db2.gz YDLZZTRMFKIITG-UHFFFAOYSA-N -1 3 316.340 2.628 20 0 DFADHM O=C(NCCC1=CCCC1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826436555 607804352 /nfs/dbraw/zinc/80/43/52/607804352.db2.gz YDLZZTRMFKIITG-UHFFFAOYSA-N -1 3 316.340 2.628 20 0 DFADHM COc1ccc([C@H]2CCCN2c2cnccc2-c2nnn[n-]2)cc1 ZINC000826189895 607839129 /nfs/dbraw/zinc/83/91/29/607839129.db2.gz INHLLSREWGFXRH-OAHLLOKOSA-N -1 3 322.372 2.612 20 0 DFADHM COc1ccc([C@H]2CCCN2c2cnccc2-c2nn[n-]n2)cc1 ZINC000826189895 607839130 /nfs/dbraw/zinc/83/91/30/607839130.db2.gz INHLLSREWGFXRH-OAHLLOKOSA-N -1 3 322.372 2.612 20 0 DFADHM c1ccc(C2(CNc3cnccc3-c3nnn[n-]3)CCC2)cc1 ZINC000826520717 607839848 /nfs/dbraw/zinc/83/98/48/607839848.db2.gz PXNLOYLHMPHMDK-UHFFFAOYSA-N -1 3 306.373 2.796 20 0 DFADHM c1ccc(C2(CNc3cnccc3-c3nn[n-]n3)CCC2)cc1 ZINC000826520717 607839849 /nfs/dbraw/zinc/83/98/49/607839849.db2.gz PXNLOYLHMPHMDK-UHFFFAOYSA-N -1 3 306.373 2.796 20 0 DFADHM C[C@H]1OCC[C@H]1SCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000825019548 607845965 /nfs/dbraw/zinc/84/59/65/607845965.db2.gz DUCCESSNWUWMNR-ZWNOBZJWSA-N -1 3 315.402 2.530 20 0 DFADHM C[C@H]1OCC[C@H]1SCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000825019548 607845966 /nfs/dbraw/zinc/84/59/66/607845966.db2.gz DUCCESSNWUWMNR-ZWNOBZJWSA-N -1 3 315.402 2.530 20 0 DFADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc[nH]1 ZINC000826421071 607846086 /nfs/dbraw/zinc/84/60/86/607846086.db2.gz QMGUGOAKTXKOBT-UHFFFAOYSA-N -1 3 319.777 2.823 20 0 DFADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc[nH]1 ZINC000826421071 607846087 /nfs/dbraw/zinc/84/60/87/607846087.db2.gz QMGUGOAKTXKOBT-UHFFFAOYSA-N -1 3 319.777 2.823 20 0 DFADHM Cc1cnccc1CCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826319891 607851437 /nfs/dbraw/zinc/85/14/37/607851437.db2.gz XTVUJPDWOHQSOB-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM Cc1cnccc1CCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826319891 607851438 /nfs/dbraw/zinc/85/14/38/607851438.db2.gz XTVUJPDWOHQSOB-UHFFFAOYSA-N -1 3 314.780 2.878 20 0 DFADHM CCOc1ccccc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825654245 607858488 /nfs/dbraw/zinc/85/84/88/607858488.db2.gz UDEWTOYTVRQBDY-UHFFFAOYSA-N -1 3 309.373 2.902 20 0 DFADHM CCOc1ccccc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825654245 607858489 /nfs/dbraw/zinc/85/84/89/607858489.db2.gz UDEWTOYTVRQBDY-UHFFFAOYSA-N -1 3 309.373 2.902 20 0 DFADHM CCc1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825718307 607869959 /nfs/dbraw/zinc/86/99/59/607869959.db2.gz ZMTULADLWOIUSX-MRXNPFEDSA-N -1 3 310.357 2.542 20 0 DFADHM CCc1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825718307 607869960 /nfs/dbraw/zinc/86/99/60/607869960.db2.gz ZMTULADLWOIUSX-MRXNPFEDSA-N -1 3 310.357 2.542 20 0 DFADHM CCc1cccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825722995 607870033 /nfs/dbraw/zinc/87/00/33/607870033.db2.gz PQXKZBBFUPRWTP-MRXNPFEDSA-N -1 3 310.357 2.542 20 0 DFADHM CCc1cccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825722995 607870034 /nfs/dbraw/zinc/87/00/34/607870034.db2.gz PQXKZBBFUPRWTP-MRXNPFEDSA-N -1 3 310.357 2.542 20 0 DFADHM Cc1cc(C)c(C)c(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826263002 607872272 /nfs/dbraw/zinc/87/22/72/607872272.db2.gz HPOMCUYUZMGBGS-MRXNPFEDSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1cc(C)c(C)c(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826263002 607872273 /nfs/dbraw/zinc/87/22/73/607872273.db2.gz HPOMCUYUZMGBGS-MRXNPFEDSA-N -1 3 324.384 2.904 20 0 DFADHM Cc1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826292276 607872479 /nfs/dbraw/zinc/87/24/79/607872479.db2.gz OPEHMDCUBDFOEP-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826292276 607872480 /nfs/dbraw/zinc/87/24/80/607872480.db2.gz OPEHMDCUBDFOEP-HNNXBMFYSA-N -1 3 310.357 2.596 20 0 DFADHM CC[C@@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825050679 607878436 /nfs/dbraw/zinc/87/84/36/607878436.db2.gz KYBXBEJTRSSWBT-SECBINFHSA-N -1 3 307.785 2.919 20 0 DFADHM CC[C@@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825050679 607878437 /nfs/dbraw/zinc/87/84/37/607878437.db2.gz KYBXBEJTRSSWBT-SECBINFHSA-N -1 3 307.785 2.919 20 0 DFADHM Cc1ccnc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826308535 607880823 /nfs/dbraw/zinc/88/08/23/607880823.db2.gz DWGAISFEEDVBJU-LLVKDONJSA-N -1 3 312.402 2.960 20 0 DFADHM Cc1ccnc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826308535 607880824 /nfs/dbraw/zinc/88/08/24/607880824.db2.gz DWGAISFEEDVBJU-LLVKDONJSA-N -1 3 312.402 2.960 20 0 DFADHM O=Cc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000826483858 607893418 /nfs/dbraw/zinc/89/34/18/607893418.db2.gz CJPMNDSIBRPGSE-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM O=Cc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000826483858 607893419 /nfs/dbraw/zinc/89/34/19/607893419.db2.gz CJPMNDSIBRPGSE-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM O=Cc1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)c(F)c1 ZINC000826483946 607893668 /nfs/dbraw/zinc/89/36/68/607893668.db2.gz GZNDAIXLOAITOD-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM O=Cc1ccc(OCc2cc(F)ccc2-c2nn[n-]n2)c(F)c1 ZINC000826483946 607893669 /nfs/dbraw/zinc/89/36/69/607893669.db2.gz GZNDAIXLOAITOD-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM O=Cc1ccc(OCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC000826484268 607894361 /nfs/dbraw/zinc/89/43/61/607894361.db2.gz VWZQPDVBOMOJGK-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM O=Cc1ccc(OCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC000826484268 607894362 /nfs/dbraw/zinc/89/43/62/607894362.db2.gz VWZQPDVBOMOJGK-UHFFFAOYSA-N -1 3 316.267 2.536 20 0 DFADHM CCN(Cc1nccc(C)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825443785 607921573 /nfs/dbraw/zinc/92/15/73/607921573.db2.gz GBLIFVBHEMSUEH-CYBMUJFWSA-N -1 3 323.404 2.548 20 0 DFADHM CCN(Cc1nccc(C)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825443785 607921574 /nfs/dbraw/zinc/92/15/74/607921574.db2.gz GBLIFVBHEMSUEH-CYBMUJFWSA-N -1 3 323.404 2.548 20 0 DFADHM O=C(Nc1ccc(F)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826454088 607931938 /nfs/dbraw/zinc/93/19/38/607931938.db2.gz JIFSMTIEGWPUNR-UHFFFAOYSA-N -1 3 324.319 2.600 20 0 DFADHM O=C(Nc1ccc(F)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826454088 607931939 /nfs/dbraw/zinc/93/19/39/607931939.db2.gz JIFSMTIEGWPUNR-UHFFFAOYSA-N -1 3 324.319 2.600 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC12CCC(CC1)C2 ZINC000826402530 607944825 /nfs/dbraw/zinc/94/48/25/607944825.db2.gz WJDVTGJTCXPWSB-AATRIKPKSA-N -1 3 323.400 2.576 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC12CCC(CC1)C2 ZINC000826402530 607944826 /nfs/dbraw/zinc/94/48/26/607944826.db2.gz WJDVTGJTCXPWSB-AATRIKPKSA-N -1 3 323.400 2.576 20 0 DFADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C)cc(C)n1 ZINC000825322963 607966388 /nfs/dbraw/zinc/96/63/88/607966388.db2.gz MKUWUZBNRIKZEM-UHFFFAOYSA-N -1 3 323.404 2.690 20 0 DFADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C)cc(C)n1 ZINC000825322963 607966389 /nfs/dbraw/zinc/96/63/89/607966389.db2.gz MKUWUZBNRIKZEM-UHFFFAOYSA-N -1 3 323.404 2.690 20 0 DFADHM COc1ccc(COc2cccc(C(C)=O)c2)cc1-c1nnn[n-]1 ZINC000826207115 607972060 /nfs/dbraw/zinc/97/20/60/607972060.db2.gz APTIZCOZYAYZKT-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM COc1ccc(COc2cccc(C(C)=O)c2)cc1-c1nn[n-]n1 ZINC000826207115 607972061 /nfs/dbraw/zinc/97/20/61/607972061.db2.gz APTIZCOZYAYZKT-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM COc1ccc(COc2ccc(F)c(C)c2)cc1-c1nnn[n-]1 ZINC000826207387 607973480 /nfs/dbraw/zinc/97/34/80/607973480.db2.gz MJOXVEJIYADKBZ-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(COc2ccc(F)c(C)c2)cc1-c1nn[n-]n1 ZINC000826207387 607973481 /nfs/dbraw/zinc/97/34/81/607973481.db2.gz MJOXVEJIYADKBZ-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(C)cn1 ZINC000825782696 607975391 /nfs/dbraw/zinc/97/53/91/607975391.db2.gz LZFXODCPSLPWGM-UHFFFAOYSA-N -1 3 305.345 2.607 20 0 DFADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(C)cn1 ZINC000825782696 607975392 /nfs/dbraw/zinc/97/53/92/607975392.db2.gz LZFXODCPSLPWGM-UHFFFAOYSA-N -1 3 305.345 2.607 20 0 DFADHM CC(C)(C)C1=CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000824072670 608003688 /nfs/dbraw/zinc/00/36/88/608003688.db2.gz XKNRKAATKISNKX-UHFFFAOYSA-N -1 3 317.418 2.747 20 0 DFADHM CC(C)(C)C1=CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000824072670 608003689 /nfs/dbraw/zinc/00/36/89/608003689.db2.gz XKNRKAATKISNKX-UHFFFAOYSA-N -1 3 317.418 2.747 20 0 DFADHM CC1(C)CCC(CNC(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000824795982 608004483 /nfs/dbraw/zinc/00/44/83/608004483.db2.gz KUJQVGHWBGSADO-UHFFFAOYSA-N -1 3 319.434 2.874 20 0 DFADHM CC1(C)CCC(CNC(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000824795982 608004484 /nfs/dbraw/zinc/00/44/84/608004484.db2.gz KUJQVGHWBGSADO-UHFFFAOYSA-N -1 3 319.434 2.874 20 0 DFADHM Cc1cncc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000826319391 608017277 /nfs/dbraw/zinc/01/72/77/608017277.db2.gz AOOQFVVGGITPLM-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cncc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000826319391 608017278 /nfs/dbraw/zinc/01/72/78/608017278.db2.gz AOOQFVVGGITPLM-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cncc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000826319887 608017364 /nfs/dbraw/zinc/01/73/64/608017364.db2.gz XNXPSSJZODGIIK-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cncc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000826319887 608017365 /nfs/dbraw/zinc/01/73/65/608017365.db2.gz XNXPSSJZODGIIK-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000825097734 608050052 /nfs/dbraw/zinc/05/00/52/608050052.db2.gz YMYVEKWVQKLYOE-SNVBAGLBSA-N -1 3 318.377 2.853 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000825097734 608050053 /nfs/dbraw/zinc/05/00/53/608050053.db2.gz YMYVEKWVQKLYOE-SNVBAGLBSA-N -1 3 318.377 2.853 20 0 DFADHM FC(F)CN(Cc1ccccc1-c1nnn[n-]1)CC1CCC1 ZINC000826370002 608064952 /nfs/dbraw/zinc/06/49/52/608064952.db2.gz ZOZMEAAHDAFKOQ-UHFFFAOYSA-N -1 3 307.348 2.734 20 0 DFADHM FC(F)CN(Cc1ccccc1-c1nn[n-]n1)CC1CCC1 ZINC000826370002 608064953 /nfs/dbraw/zinc/06/49/53/608064953.db2.gz ZOZMEAAHDAFKOQ-UHFFFAOYSA-N -1 3 307.348 2.734 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CN(Cc1cccnc1)C1CC1 ZINC000826371571 608079339 /nfs/dbraw/zinc/07/93/39/608079339.db2.gz LNTGNWCNAHLWNS-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CN(Cc1cccnc1)C1CC1 ZINC000826371571 608079340 /nfs/dbraw/zinc/07/93/40/608079340.db2.gz LNTGNWCNAHLWNS-UHFFFAOYSA-N -1 3 324.363 2.565 20 0 DFADHM CC(C)n1cccc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824522425 608115182 /nfs/dbraw/zinc/11/51/82/608115182.db2.gz SKUWSADKPRSVOO-LBPRGKRZSA-N -1 3 324.388 2.740 20 0 DFADHM CC(C)n1cccc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824522425 608115183 /nfs/dbraw/zinc/11/51/83/608115183.db2.gz SKUWSADKPRSVOO-LBPRGKRZSA-N -1 3 324.388 2.740 20 0 DFADHM CCC[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825225080 608115344 /nfs/dbraw/zinc/11/53/44/608115344.db2.gz KUTBPNSISVHNPO-OAHLLOKOSA-N -1 3 315.421 2.897 20 0 DFADHM CCC[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825225080 608115345 /nfs/dbraw/zinc/11/53/45/608115345.db2.gz KUTBPNSISVHNPO-OAHLLOKOSA-N -1 3 315.421 2.897 20 0 DFADHM Cc1c(NC(=O)c2cccn2C(C)C)cccc1-c1nnn[n-]1 ZINC000826242612 608120810 /nfs/dbraw/zinc/12/08/10/608120810.db2.gz XDBJEVDBXCENFO-UHFFFAOYSA-N -1 3 310.361 2.810 20 0 DFADHM Cc1c(NC(=O)c2cccn2C(C)C)cccc1-c1nn[n-]n1 ZINC000826242612 608120811 /nfs/dbraw/zinc/12/08/11/608120811.db2.gz XDBJEVDBXCENFO-UHFFFAOYSA-N -1 3 310.361 2.810 20 0 DFADHM O=C(CCCC(F)(F)F)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826406086 608162484 /nfs/dbraw/zinc/16/24/84/608162484.db2.gz HQTYAMCTVRACPZ-UHFFFAOYSA-N -1 3 318.230 2.644 20 0 DFADHM O=C(CCCC(F)(F)F)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000826406086 608162486 /nfs/dbraw/zinc/16/24/86/608162486.db2.gz HQTYAMCTVRACPZ-UHFFFAOYSA-N -1 3 318.230 2.644 20 0 DFADHM C[C@@H]1CCC[C@H](COC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000824927430 608170625 /nfs/dbraw/zinc/17/06/25/608170625.db2.gz OFYJIDGKUKXDBH-ZJUUUORDSA-N -1 3 306.391 2.911 20 0 DFADHM CCc1nsc(Oc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000825777555 608172240 /nfs/dbraw/zinc/17/22/40/608172240.db2.gz YAASBPYELKFTQV-UHFFFAOYSA-N -1 3 308.754 2.726 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccco1 ZINC000826232464 608190200 /nfs/dbraw/zinc/19/02/00/608190200.db2.gz NYFKMQXTSOEPSK-FBOQAHMBSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000826232464 608190201 /nfs/dbraw/zinc/19/02/01/608190201.db2.gz NYFKMQXTSOEPSK-FBOQAHMBSA-N -1 3 310.313 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CRQPAIYAVQHMLW-NXEZZACHSA-N -1 3 307.785 2.747 20 0 DFADHM Cc1ccnc(Cl)c1OCc1ccccc1-c1nnn[n-]1 ZINC000826308788 608206552 /nfs/dbraw/zinc/20/65/52/608206552.db2.gz PVUXRLRUADZZLB-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1ccnc(Cl)c1OCc1ccccc1-c1nn[n-]n1 ZINC000826308788 608206554 /nfs/dbraw/zinc/20/65/54/608206554.db2.gz PVUXRLRUADZZLB-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1cnc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)s1 ZINC000826262962 608214880 /nfs/dbraw/zinc/21/48/80/608214880.db2.gz FVOACLCFUXKWSX-UHFFFAOYSA-N -1 3 318.431 2.936 20 0 DFADHM Cc1cnc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)s1 ZINC000826262962 608214881 /nfs/dbraw/zinc/21/48/81/608214881.db2.gz FVOACLCFUXKWSX-UHFFFAOYSA-N -1 3 318.431 2.936 20 0 DFADHM Cc1noc(C)c1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826339217 608225387 /nfs/dbraw/zinc/22/53/87/608225387.db2.gz WHWDVLZCYWYAIW-UHFFFAOYSA-N -1 3 321.344 2.632 20 0 DFADHM Cc1noc(C)c1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826339217 608225389 /nfs/dbraw/zinc/22/53/89/608225389.db2.gz WHWDVLZCYWYAIW-UHFFFAOYSA-N -1 3 321.344 2.632 20 0 DFADHM CC1(O)CCC(Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000824837990 608231195 /nfs/dbraw/zinc/23/11/95/608231195.db2.gz LHPBCTQHXDBLLG-UHFFFAOYSA-N -1 3 324.388 2.520 20 0 DFADHM CC1(O)CCC(Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000824837990 608231196 /nfs/dbraw/zinc/23/11/96/608231196.db2.gz LHPBCTQHXDBLLG-UHFFFAOYSA-N -1 3 324.388 2.520 20 0 DFADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc[nH]1 ZINC000824663093 608234494 /nfs/dbraw/zinc/23/44/94/608234494.db2.gz VQZKMQSXHLDKGR-SNVBAGLBSA-N -1 3 305.345 2.916 20 0 DFADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc[nH]1 ZINC000824663093 608234496 /nfs/dbraw/zinc/23/44/96/608234496.db2.gz VQZKMQSXHLDKGR-SNVBAGLBSA-N -1 3 305.345 2.916 20 0 DFADHM C[C@@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@H]1C ZINC000824961065 608236129 /nfs/dbraw/zinc/23/61/29/608236129.db2.gz ASFYPRPBAAHEFM-VXGBXAGGSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@H]1C ZINC000824961065 608236130 /nfs/dbraw/zinc/23/61/30/608236130.db2.gz ASFYPRPBAAHEFM-VXGBXAGGSA-N -1 3 308.389 2.897 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000825192734 608245969 /nfs/dbraw/zinc/24/59/69/608245969.db2.gz HTZWBGVLYWNQJG-SWLSCSKDSA-N -1 3 313.405 2.589 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000825192734 608245971 /nfs/dbraw/zinc/24/59/71/608245971.db2.gz HTZWBGVLYWNQJG-SWLSCSKDSA-N -1 3 313.405 2.589 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825195005 608265660 /nfs/dbraw/zinc/26/56/60/608265660.db2.gz UNVDGFAATZOGMG-MWLCHTKSSA-N -1 3 318.356 2.801 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825195005 608265662 /nfs/dbraw/zinc/26/56/62/608265662.db2.gz UNVDGFAATZOGMG-MWLCHTKSSA-N -1 3 318.356 2.801 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1cc(C)ccc1F ZINC000826173123 608265764 /nfs/dbraw/zinc/26/57/64/608265764.db2.gz OBNKUCPZXNABSK-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1cc(C)ccc1F ZINC000826173123 608265765 /nfs/dbraw/zinc/26/57/65/608265765.db2.gz OBNKUCPZXNABSK-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825192432 608269536 /nfs/dbraw/zinc/26/95/36/608269536.db2.gz GXBSXXSWUQDRGY-CMPLNLGQSA-N -1 3 314.393 2.970 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825192432 608269537 /nfs/dbraw/zinc/26/95/37/608269537.db2.gz GXBSXXSWUQDRGY-CMPLNLGQSA-N -1 3 314.393 2.970 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CCc3sccc3[C@@H]2C)n1 ZINC000826275336 608271035 /nfs/dbraw/zinc/27/10/35/608271035.db2.gz WWLWMZGMUDHZJG-JTQLQIEISA-N -1 3 312.402 2.755 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CCc3sccc3[C@@H]2C)n1 ZINC000826275336 608271036 /nfs/dbraw/zinc/27/10/36/608271036.db2.gz WWLWMZGMUDHZJG-JTQLQIEISA-N -1 3 312.402 2.755 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](c3ccccc3)C2)n1 ZINC000826274334 608280278 /nfs/dbraw/zinc/28/02/78/608280278.db2.gz 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ZINC000824961078 608302422 /nfs/dbraw/zinc/30/24/22/608302422.db2.gz AZKNRLDMVRBCJG-RYUDHWBXSA-N -1 3 312.421 2.623 20 0 DFADHM C[C@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC[C@@H]1C ZINC000824961078 608302423 /nfs/dbraw/zinc/30/24/23/608302423.db2.gz AZKNRLDMVRBCJG-RYUDHWBXSA-N -1 3 312.421 2.623 20 0 DFADHM Fc1ccc2c(c1)CCC[C@H]2NCc1ccc(-c2nnn[n-]2)o1 ZINC000826376220 608309492 /nfs/dbraw/zinc/30/94/92/608309492.db2.gz TVHWKZUTARJFPY-CQSZACIVSA-N -1 3 313.336 2.766 20 0 DFADHM Cc1ccc2c(c1)CCN2C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826294450 608331501 /nfs/dbraw/zinc/33/15/01/608331501.db2.gz RJNLBBUTNMHSNX-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM Cc1ccc2c(c1)CCN2C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826294450 608331502 /nfs/dbraw/zinc/33/15/02/608331502.db2.gz RJNLBBUTNMHSNX-UHFFFAOYSA-N -1 3 319.368 2.686 20 0 DFADHM Cc1ccncc1[C@H](C)OC(=O)c1sccc1-c1nnn[n-]1 ZINC000826315731 608334303 /nfs/dbraw/zinc/33/43/03/608334303.db2.gz RRDPHMZJUSVQEX-VIFPVBQESA-N -1 3 315.358 2.550 20 0 DFADHM Cc1ccncc1[C@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000826315731 608334305 /nfs/dbraw/zinc/33/43/05/608334305.db2.gz RRDPHMZJUSVQEX-VIFPVBQESA-N -1 3 315.358 2.550 20 0 DFADHM Cc1ccncc1[C@@H](C)OC(=O)c1sccc1-c1nnn[n-]1 ZINC000826315730 608334498 /nfs/dbraw/zinc/33/44/98/608334498.db2.gz RRDPHMZJUSVQEX-SECBINFHSA-N -1 3 315.358 2.550 20 0 DFADHM Cc1ccncc1[C@@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000826315730 608334499 /nfs/dbraw/zinc/33/44/99/608334499.db2.gz RRDPHMZJUSVQEX-SECBINFHSA-N -1 3 315.358 2.550 20 0 DFADHM CCN(C(=O)C1=CCCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366817 608343514 /nfs/dbraw/zinc/34/35/14/608343514.db2.gz GDTLFIOGOQSNRY-UHFFFAOYSA-N -1 3 317.780 2.983 20 0 DFADHM CCN(C(=O)C1=CCCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366817 608343515 /nfs/dbraw/zinc/34/35/15/608343515.db2.gz GDTLFIOGOQSNRY-UHFFFAOYSA-N -1 3 317.780 2.983 20 0 DFADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NC[C@@H]1Cc2ccccc21 ZINC000826371374 608371830 /nfs/dbraw/zinc/37/18/30/608371830.db2.gz DHZSLWVPCBYFDF-NSHDSACASA-N -1 3 313.311 2.897 20 0 DFADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NC[C@@H]1Cc2ccccc21 ZINC000826371374 608371832 /nfs/dbraw/zinc/37/18/32/608371832.db2.gz DHZSLWVPCBYFDF-NSHDSACASA-N -1 3 313.311 2.897 20 0 DFADHM CCCCN(C)c1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825282769 608415436 /nfs/dbraw/zinc/41/54/36/608415436.db2.gz ZMCMMGCJYQHJRT-UHFFFAOYSA-N -1 3 324.392 2.637 20 0 DFADHM CCc1ncnc(Sc2ccc(-c3nnn[n-]3)cc2F)c1F ZINC000825755114 608424742 /nfs/dbraw/zinc/42/47/42/608424742.db2.gz NTSHGEJOAVBXFJ-UHFFFAOYSA-N -1 3 320.328 2.649 20 0 DFADHM CCc1ncnc(Sc2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000825755114 608424743 /nfs/dbraw/zinc/42/47/43/608424743.db2.gz NTSHGEJOAVBXFJ-UHFFFAOYSA-N -1 3 320.328 2.649 20 0 DFADHM CCc1ncnc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1F ZINC000825755317 608426457 /nfs/dbraw/zinc/42/64/57/608426457.db2.gz SWDCGMPGXIBPKN-VIFPVBQESA-N -1 3 313.340 2.531 20 0 DFADHM CCc1ncnc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1F ZINC000825755317 608426458 /nfs/dbraw/zinc/42/64/58/608426458.db2.gz SWDCGMPGXIBPKN-VIFPVBQESA-N -1 3 313.340 2.531 20 0 DFADHM C[C@H]1CC(Nc2ccc(Cl)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824892519 608444197 /nfs/dbraw/zinc/44/41/97/608444197.db2.gz JPACFVSDNXGIQS-IUCAKERBSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@H]1CC(Nc2ccc(Cl)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824892519 608444199 /nfs/dbraw/zinc/44/41/99/608444199.db2.gz JPACFVSDNXGIQS-IUCAKERBSA-N -1 3 307.785 2.888 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824929773 608449565 /nfs/dbraw/zinc/44/95/65/608449565.db2.gz YQYZKADTRZOHHT-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824929773 608449567 /nfs/dbraw/zinc/44/95/67/608449567.db2.gz YQYZKADTRZOHHT-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H](N[C@@H](C)c1cscn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824531990 608492856 /nfs/dbraw/zinc/49/28/56/608492856.db2.gz SDKZXULPVPBVDP-ZJUUUORDSA-N -1 3 300.391 2.735 20 0 DFADHM c1nc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)oc1C1CC1 ZINC000826513703 608529927 /nfs/dbraw/zinc/52/99/27/608529927.db2.gz UAPVWJIAUCFVJZ-UHFFFAOYSA-N -1 3 322.372 2.511 20 0 DFADHM c1nc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)oc1C1CC1 ZINC000826513703 608529929 /nfs/dbraw/zinc/52/99/29/608529929.db2.gz UAPVWJIAUCFVJZ-UHFFFAOYSA-N -1 3 322.372 2.511 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2c(c1)COC2 ZINC000826452960 608545129 /nfs/dbraw/zinc/54/51/29/608545129.db2.gz PKRPHUDPAQISGR-UHFFFAOYSA-N -1 3 322.328 2.541 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c(c1)COC2 ZINC000826452960 608545131 /nfs/dbraw/zinc/54/51/31/608545131.db2.gz PKRPHUDPAQISGR-UHFFFAOYSA-N -1 3 322.328 2.541 20 0 DFADHM C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824937684 608573039 /nfs/dbraw/zinc/57/30/39/608573039.db2.gz QNQARMNMWWNGMA-TVQRCGJNSA-N -1 3 319.796 2.829 20 0 DFADHM C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824937684 608573040 /nfs/dbraw/zinc/57/30/40/608573040.db2.gz QNQARMNMWWNGMA-TVQRCGJNSA-N -1 3 319.796 2.829 20 0 DFADHM Fc1cccc2c1CN(Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000826377772 608706413 /nfs/dbraw/zinc/70/64/13/608706413.db2.gz FLLIDKFCVRMYGL-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM Fc1cccc2c1CN(Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000826377772 608706415 /nfs/dbraw/zinc/70/64/15/608706415.db2.gz FLLIDKFCVRMYGL-UHFFFAOYSA-N -1 3 315.377 2.626 20 0 DFADHM FC(F)(F)[C@@H]1CCC[C@@H](Nc2cnccc2-c2nnn[n-]2)C1 ZINC000826367264 608772717 /nfs/dbraw/zinc/77/27/17/608772717.db2.gz RRIWAANHTLFZPA-RKDXNWHRSA-N -1 3 312.299 2.795 20 0 DFADHM FC(F)(F)[C@@H]1CCC[C@@H](Nc2cnccc2-c2nn[n-]n2)C1 ZINC000826367264 608772720 /nfs/dbraw/zinc/77/27/20/608772720.db2.gz RRIWAANHTLFZPA-RKDXNWHRSA-N -1 3 312.299 2.795 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2cnccc2-c2nnn[n-]2)c(C)c1 ZINC000826287648 608781494 /nfs/dbraw/zinc/78/14/94/608781494.db2.gz XHVDTYDRLGSMDT-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2cnccc2-c2nn[n-]n2)c(C)c1 ZINC000826287648 608781495 /nfs/dbraw/zinc/78/14/95/608781495.db2.gz XHVDTYDRLGSMDT-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM c1oc(-c2ccccc2)nc1CNc1cnccc1-c1nnn[n-]1 ZINC000826519281 608788292 /nfs/dbraw/zinc/78/82/92/608788292.db2.gz RSTHZDNRWPCTQG-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM c1oc(-c2ccccc2)nc1CNc1cnccc1-c1nn[n-]n1 ZINC000826519281 608788293 /nfs/dbraw/zinc/78/82/93/608788293.db2.gz RSTHZDNRWPCTQG-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C(C)C)c1-c1nnn[n-]1 ZINC000826233808 609166300 /nfs/dbraw/zinc/16/63/00/609166300.db2.gz WPWVGIZZQBILGJ-UHFFFAOYSA-N -1 3 324.388 2.869 20 0 DFADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C(C)C)c1-c1nn[n-]n1 ZINC000826233808 609166302 /nfs/dbraw/zinc/16/63/02/609166302.db2.gz WPWVGIZZQBILGJ-UHFFFAOYSA-N -1 3 324.388 2.869 20 0 DFADHM CN(Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825954182 609172356 /nfs/dbraw/zinc/17/23/56/609172356.db2.gz YJBLMOMGZWXAPU-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM CC(C)CCCS[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824242998 609181342 /nfs/dbraw/zinc/18/13/42/609181342.db2.gz CLMJUAKZXFYQSX-ZDUSSCGKSA-N -1 3 319.434 2.563 20 0 DFADHM CC(C)CCCS[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824242998 609181344 /nfs/dbraw/zinc/18/13/44/609181344.db2.gz CLMJUAKZXFYQSX-ZDUSSCGKSA-N -1 3 319.434 2.563 20 0 DFADHM O=C(OCc1ccc(CF)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826465707 609238113 /nfs/dbraw/zinc/23/81/13/609238113.db2.gz YILLPGKWFSIUGK-UHFFFAOYSA-N -1 3 312.304 2.693 20 0 DFADHM O=C(OCc1ccc(CF)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826465707 609238114 /nfs/dbraw/zinc/23/81/14/609238114.db2.gz YILLPGKWFSIUGK-UHFFFAOYSA-N -1 3 312.304 2.693 20 0 DFADHM CCCn1cc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC000825363324 609245427 /nfs/dbraw/zinc/24/54/27/609245427.db2.gz XXHJDKRFUDPROV-MRXNPFEDSA-N -1 3 323.404 2.963 20 0 DFADHM CCCn1cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC000825363324 609245428 /nfs/dbraw/zinc/24/54/28/609245428.db2.gz XXHJDKRFUDPROV-MRXNPFEDSA-N -1 3 323.404 2.963 20 0 DFADHM C[C@H](Nc1ccc(CCO)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824658543 609248722 /nfs/dbraw/zinc/24/87/22/609248722.db2.gz XZMQSGIEEXPAJS-LBPRGKRZSA-N -1 3 309.373 2.575 20 0 DFADHM C[C@H](Nc1ccc(CCO)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824658543 609248723 /nfs/dbraw/zinc/24/87/23/609248723.db2.gz XZMQSGIEEXPAJS-LBPRGKRZSA-N -1 3 309.373 2.575 20 0 DFADHM CC(C)Cn1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000824280393 609252260 /nfs/dbraw/zinc/25/22/60/609252260.db2.gz LWHYIJNSMMVWTA-LBPRGKRZSA-N -1 3 311.393 2.892 20 0 DFADHM CC(C)Cn1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000824280393 609252261 /nfs/dbraw/zinc/25/22/61/609252261.db2.gz LWHYIJNSMMVWTA-LBPRGKRZSA-N -1 3 311.393 2.892 20 0 DFADHM CCn1cc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC000825799830 609252936 /nfs/dbraw/zinc/25/29/36/609252936.db2.gz SIJMSAMUEHDVHB-OAHLLOKOSA-N -1 3 309.377 2.573 20 0 DFADHM CCn1cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC000825799830 609252938 /nfs/dbraw/zinc/25/29/38/609252938.db2.gz SIJMSAMUEHDVHB-OAHLLOKOSA-N -1 3 309.377 2.573 20 0 DFADHM C[C@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000824938830 609289607 /nfs/dbraw/zinc/28/96/07/609289607.db2.gz WGYBVBHEEZBJOQ-JTQLQIEISA-N -1 3 319.796 2.782 20 0 DFADHM C[C@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000824938830 609289609 /nfs/dbraw/zinc/28/96/09/609289609.db2.gz WGYBVBHEEZBJOQ-JTQLQIEISA-N -1 3 319.796 2.782 20 0 DFADHM COCCC[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826155271 609304465 /nfs/dbraw/zinc/30/44/65/609304465.db2.gz LDSUUULKGGOVSN-VIFPVBQESA-N -1 3 323.784 2.521 20 0 DFADHM COCCC[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826155271 609304467 /nfs/dbraw/zinc/30/44/67/609304467.db2.gz LDSUUULKGGOVSN-VIFPVBQESA-N -1 3 323.784 2.521 20 0 DFADHM CCC(CC)[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000825106509 609322012 /nfs/dbraw/zinc/32/20/12/609322012.db2.gz FDXOBGHXDGWKLC-WFASDCNBSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000825106509 609322014 /nfs/dbraw/zinc/32/20/14/609322014.db2.gz FDXOBGHXDGWKLC-WFASDCNBSA-N -1 3 316.409 2.657 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000825972015 609373351 /nfs/dbraw/zinc/37/33/51/609373351.db2.gz ROBMPVKJOITRDE-CQSZACIVSA-N -1 3 313.405 2.651 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000825972015 609373353 /nfs/dbraw/zinc/37/33/53/609373353.db2.gz ROBMPVKJOITRDE-CQSZACIVSA-N -1 3 313.405 2.651 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000824915327 609395823 /nfs/dbraw/zinc/39/58/23/609395823.db2.gz CTQBYPCYLWWJEN-PXAZEXFGSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000824915327 609395826 /nfs/dbraw/zinc/39/58/26/609395826.db2.gz CTQBYPCYLWWJEN-PXAZEXFGSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@@H](Nc1cccc(CCCO)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824663415 609409492 /nfs/dbraw/zinc/40/94/92/609409492.db2.gz ZEKNOYGCRANKHZ-CYBMUJFWSA-N -1 3 323.400 2.965 20 0 DFADHM C[C@@H](Nc1cccc(CCCO)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824663415 609409493 /nfs/dbraw/zinc/40/94/93/609409493.db2.gz ZEKNOYGCRANKHZ-CYBMUJFWSA-N -1 3 323.400 2.965 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000824014207 609422495 /nfs/dbraw/zinc/42/24/95/609422495.db2.gz DVELQRFAHWTHMC-OKILXGFUSA-N -1 3 311.389 2.696 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000824014207 609422497 /nfs/dbraw/zinc/42/24/97/609422497.db2.gz DVELQRFAHWTHMC-OKILXGFUSA-N -1 3 311.389 2.696 20 0 DFADHM CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000825377249 609427450 /nfs/dbraw/zinc/42/74/50/609427450.db2.gz YZNOBAWYUIBXID-UHFFFAOYSA-N -1 3 316.752 2.515 20 0 DFADHM CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000825377249 609427452 /nfs/dbraw/zinc/42/74/52/609427452.db2.gz YZNOBAWYUIBXID-UHFFFAOYSA-N -1 3 316.752 2.515 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(NCCCCn2ccnc2)c1 ZINC000826351732 609428518 /nfs/dbraw/zinc/42/85/18/609428518.db2.gz YDMKORGHGNUCKI-UHFFFAOYSA-N -1 3 317.784 2.609 20 0 DFADHM CCc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nc(C)n1 ZINC000825700817 609437235 /nfs/dbraw/zinc/43/72/35/609437235.db2.gz UJLDZAIGAPKCBW-JTQLQIEISA-N -1 3 309.377 2.701 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCCc1ccc(C)cc1 ZINC000826186348 609437398 /nfs/dbraw/zinc/43/73/98/609437398.db2.gz OKWFHHGWLBMOPU-UHFFFAOYSA-N -1 3 309.373 2.838 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCCc1ccc(C)cc1 ZINC000826186348 609437401 /nfs/dbraw/zinc/43/74/01/609437401.db2.gz OKWFHHGWLBMOPU-UHFFFAOYSA-N -1 3 309.373 2.838 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCC[C@H]2C)s1 ZINC000825693718 609491861 /nfs/dbraw/zinc/49/18/61/609491861.db2.gz BGUWXODBBUPSEX-SCZZXKLOSA-N -1 3 305.407 2.865 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC[C@H]2C)s1 ZINC000825693718 609491863 /nfs/dbraw/zinc/49/18/63/609491863.db2.gz BGUWXODBBUPSEX-SCZZXKLOSA-N -1 3 305.407 2.865 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCC[C@@H]2C)s1 ZINC000825693720 609491894 /nfs/dbraw/zinc/49/18/94/609491894.db2.gz BGUWXODBBUPSEX-WPRPVWTQSA-N -1 3 305.407 2.865 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC[C@@H]2C)s1 ZINC000825693720 609491895 /nfs/dbraw/zinc/49/18/95/609491895.db2.gz BGUWXODBBUPSEX-WPRPVWTQSA-N -1 3 305.407 2.865 20 0 DFADHM Cc1ccnc(Cl)c1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826308719 609499800 /nfs/dbraw/zinc/49/98/00/609499800.db2.gz MCHLXLYSGAFOLM-UHFFFAOYSA-N -1 3 319.727 2.942 20 0 DFADHM Cc1ccnc(Cl)c1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826308719 609499801 /nfs/dbraw/zinc/49/98/01/609499801.db2.gz MCHLXLYSGAFOLM-UHFFFAOYSA-N -1 3 319.727 2.942 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826231911 609506801 /nfs/dbraw/zinc/50/68/01/609506801.db2.gz NKTRWIUKAAPFPE-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826231911 609506802 /nfs/dbraw/zinc/50/68/02/609506802.db2.gz NKTRWIUKAAPFPE-SNVBAGLBSA-N -1 3 311.320 2.748 20 0 DFADHM Fc1cccc(F)c1COc1ccc(-c2nnn[n-]2)cc1F 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2.794 20 0 DFADHM Cn1nc(C2CCCC2)cc1NC(=O)c1c([O-])cccc1O ZINC000272838919 210237343 /nfs/dbraw/zinc/23/73/43/210237343.db2.gz IBRJTAZJUACEMP-UHFFFAOYSA-N -1 3 301.346 2.741 20 0 DFADHM O=c1cc(CN2CCc3ccc(F)c(F)c3C2)nc(C2CC2)[n-]1 ZINC000459349632 299085934 /nfs/dbraw/zinc/08/59/34/299085934.db2.gz NXDPKDPOSOURLZ-UHFFFAOYSA-N -1 3 317.339 2.896 20 0 DFADHM CCc1cccc(C(=O)N(C)CC(=O)Nc2ccccc2)c1[O-] ZINC000081938959 398376190 /nfs/dbraw/zinc/37/61/90/398376190.db2.gz SJZCUFKFYUKCJR-UHFFFAOYSA-N -1 3 312.369 2.665 20 0 DFADHM CCOC(=O)[C@H](C)N(C)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459358816 299087532 /nfs/dbraw/zinc/08/75/32/299087532.db2.gz XFFWCCBNDXAODQ-JTQLQIEISA-N -1 3 315.797 2.828 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(F)c(C(=O)OC)c(F)c1 ZINC000296677918 529670798 /nfs/dbraw/zinc/67/07/98/529670798.db2.gz IGUYGFXLMYIHSA-QMMMGPOBSA-N -1 3 316.304 2.851 20 0 DFADHM CCc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000011596403 398383864 /nfs/dbraw/zinc/38/38/64/398383864.db2.gz 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315.435 2.525 20 0 DFADHM O=S(=O)([N-][C@@H]1CCCOc2c(F)cccc21)c1ccco1 ZINC000188814295 200306992 /nfs/dbraw/zinc/30/69/92/200306992.db2.gz WZVWHYKYTQMRRE-GFCCVEGCSA-N -1 3 311.334 2.611 20 0 DFADHM CC(C)(C)OCc1cc(CNC(=O)c2cccc([O-])c2)no1 ZINC000189230317 200367203 /nfs/dbraw/zinc/36/72/03/200367203.db2.gz HTRUGHBJTCQCBI-UHFFFAOYSA-N -1 3 304.346 2.625 20 0 DFADHM COC(=O)COc1cccc(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000055432101 398930839 /nfs/dbraw/zinc/93/08/39/398930839.db2.gz LCFLZCWCHULUFN-UHFFFAOYSA-N -1 3 315.325 2.505 20 0 DFADHM CCC(=O)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000471800755 299305488 /nfs/dbraw/zinc/30/54/88/299305488.db2.gz XALPMPJZJQCHSF-UHFFFAOYSA-N -1 3 312.251 2.669 20 0 DFADHM CCC(=O)c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000471800755 299305490 /nfs/dbraw/zinc/30/54/90/299305490.db2.gz XALPMPJZJQCHSF-UHFFFAOYSA-N -1 3 312.251 2.669 20 0 DFADHM CC[C@H](C)[C@@H](O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000189296217 200377306 /nfs/dbraw/zinc/37/73/06/200377306.db2.gz 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3 314.385 2.730 20 0 DFADHM CCOC(=O)CCN(CC1CC1)C(=O)c1cc(C)ccc1[O-] ZINC000604568826 398959591 /nfs/dbraw/zinc/95/95/91/398959591.db2.gz WOYGOVKIDCYVCC-UHFFFAOYSA-N -1 3 305.374 2.506 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)NCc2ncccc2[O-])C1(CC)CC ZINC000471990068 299319289 /nfs/dbraw/zinc/31/92/89/299319289.db2.gz WHZZXJZXUYCFLQ-CABCVRRESA-N -1 3 321.421 2.570 20 0 DFADHM Cc1cc(C(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1[O-] ZINC000292564407 223150162 /nfs/dbraw/zinc/15/01/62/223150162.db2.gz UDUHXYREXCSYMP-CVEARBPZSA-N -1 3 301.386 2.874 20 0 DFADHM COCCOC1CCC(C(=O)Nc2c(C)cccc2[O-])CC1 ZINC000281390722 216267732 /nfs/dbraw/zinc/26/77/32/216267732.db2.gz YXLVPJGGQMOIIN-UHFFFAOYSA-N -1 3 307.390 2.861 20 0 DFADHM CCC(CC)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000192455792 200881289 /nfs/dbraw/zinc/88/12/89/200881289.db2.gz RAEAGSSHQUSODF-UHFFFAOYSA-N -1 3 302.371 2.572 20 0 DFADHM O=C([O-])[C@]1(NCc2cnc(C3CCCC3)s2)CCSC1 ZINC000417562362 296031084 /nfs/dbraw/zinc/03/10/84/296031084.db2.gz 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ZINC000063476284 399190567 /nfs/dbraw/zinc/19/05/67/399190567.db2.gz FLMFKMAFTAVKKA-UHFFFAOYSA-N -1 3 300.742 2.983 20 0 DFADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)s1 ZINC000266141348 205130821 /nfs/dbraw/zinc/13/08/21/205130821.db2.gz CRUZBIGHNJSVHK-UHFFFAOYSA-N -1 3 318.370 2.517 20 0 DFADHM COC1(CNC(=O)c2ccc3[nH][n-]c(=O)c3c2)CCC(C)CC1 ZINC000614262474 399193166 /nfs/dbraw/zinc/19/31/66/399193166.db2.gz AHBOYVOGRPNPHL-UHFFFAOYSA-N -1 3 317.389 2.594 20 0 DFADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)s1 ZINC000266238030 205206528 /nfs/dbraw/zinc/20/65/28/205206528.db2.gz VQJLEQFQZIEKMI-UHFFFAOYSA-N -1 3 318.370 2.517 20 0 DFADHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC000266223540 205196796 /nfs/dbraw/zinc/19/67/96/205196796.db2.gz QBSOGWAYQYIEPX-UHFFFAOYSA-N -1 3 312.254 2.896 20 0 DFADHM CCCC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000266253697 205219186 /nfs/dbraw/zinc/21/91/86/205219186.db2.gz XJWAWHWQJHCYLG-UHFFFAOYSA-N -1 3 312.254 2.897 20 0 DFADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000622110652 399198065 /nfs/dbraw/zinc/19/80/65/399198065.db2.gz BRHWHBALKWPNJM-QMMMGPOBSA-N -1 3 306.259 2.731 20 0 DFADHM O=C(NCCCC1(O)CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622111274 399198453 /nfs/dbraw/zinc/19/84/53/399198453.db2.gz TVQWXGCMFLKOQA-UHFFFAOYSA-N -1 3 317.307 2.836 20 0 DFADHM C[C@H]1C[C@H](CO)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622110904 399198510 /nfs/dbraw/zinc/19/85/10/399198510.db2.gz JMJXBQPLRYKKHL-UWVGGRQHSA-N -1 3 317.307 2.502 20 0 DFADHM O=S(=O)([N-]Cc1cccnc1)c1cc(Cl)cc(Cl)c1 ZINC000016091727 182033140 /nfs/dbraw/zinc/03/31/40/182033140.db2.gz PSHVRFDDFMMJDJ-UHFFFAOYSA-N -1 3 317.197 2.867 20 0 DFADHM CC[C@H](C)C[C@@H](CO)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622122530 399201396 /nfs/dbraw/zinc/20/13/96/399201396.db2.gz NJFFAHAQZOFDNG-CABZTGNLSA-N -1 3 319.323 2.938 20 0 DFADHM O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc2n[n-]nc2c1 ZINC000016499190 182047619 /nfs/dbraw/zinc/04/76/19/182047619.db2.gz 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Cc1nc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)cn1C ZINC000608036016 399225783 /nfs/dbraw/zinc/22/57/83/399225783.db2.gz JXJQHWYODROBKQ-OAHLLOKOSA-N -1 3 319.430 2.548 20 0 DFADHM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000608032360 399225522 /nfs/dbraw/zinc/22/55/22/399225522.db2.gz QAMPVHGZWSLREB-HOTGVXAUSA-N -1 3 323.364 2.973 20 0 DFADHM C[C@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@H]1CO ZINC000622217986 399227526 /nfs/dbraw/zinc/22/75/26/399227526.db2.gz SFYWMYFMGTYKJU-ONGXEEELSA-N -1 3 317.307 2.502 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@H]1CO ZINC000622217984 399228091 /nfs/dbraw/zinc/22/80/91/399228091.db2.gz SFYWMYFMGTYKJU-KOLCDFICSA-N -1 3 317.307 2.502 20 0 DFADHM CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267355655 206006679 /nfs/dbraw/zinc/00/66/79/206006679.db2.gz DGVVVKOHPXSYNN-SJKOYZFVSA-N -1 3 314.385 2.731 20 0 DFADHM Cc1cccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000267371138 206019689 /nfs/dbraw/zinc/01/96/89/206019689.db2.gz SVGJWCFTKYNIIM-LBPRGKRZSA-N -1 3 305.374 2.504 20 0 DFADHM O=C(NCC1CCC(F)(F)CC1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000614487131 399239630 /nfs/dbraw/zinc/23/96/30/399239630.db2.gz ALIICHXMEZLMLJ-UHFFFAOYSA-N -1 3 309.316 2.824 20 0 DFADHM O=C(NCc1ccc(Cl)cn1)c1cc(=O)c2ccccc2[n-]1 ZINC000343036803 284460174 /nfs/dbraw/zinc/46/01/74/284460174.db2.gz BDKVRHNITCYVBL-UHFFFAOYSA-N -1 3 313.744 2.507 20 0 DFADHM CCN1CCC(NC(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000267523308 206122561 /nfs/dbraw/zinc/12/25/61/206122561.db2.gz QKWIVKAQKDCUQN-UHFFFAOYSA-N -1 3 317.216 2.913 20 0 DFADHM COc1ccc(CN(C)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000622277632 399242996 /nfs/dbraw/zinc/24/29/96/399242996.db2.gz LNFXPSVJERKBRF-UHFFFAOYSA-N -1 3 303.333 2.741 20 0 DFADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCCC[C@H]1CCO ZINC000622301069 399244950 /nfs/dbraw/zinc/24/49/50/399244950.db2.gz NAUPKNBOGKFWQC-LBPRGKRZSA-N -1 3 317.307 2.788 20 0 DFADHM C[C@@H]1C[C@@H](CCNC(=O)c2ccc3[nH][n-]c(=O)c3c2)C[C@H](C)O1 ZINC000614552923 399246651 /nfs/dbraw/zinc/24/66/51/399246651.db2.gz YABHLRIUDYCQEP-ZSBIGDGJSA-N -1 3 317.389 2.592 20 0 DFADHM CN(C(=O)c1cc(C(F)(F)F)n[n-]1)c1ccc(F)c(F)c1 ZINC000622325596 399247173 /nfs/dbraw/zinc/24/71/73/399247173.db2.gz FYLJDCLPFCRUOU-UHFFFAOYSA-N -1 3 305.206 2.983 20 0 DFADHM CN(C(=O)c1cc(C(F)(F)F)[n-]n1)c1ccc(F)c(F)c1 ZINC000622325596 399247177 /nfs/dbraw/zinc/24/71/77/399247177.db2.gz FYLJDCLPFCRUOU-UHFFFAOYSA-N -1 3 305.206 2.983 20 0 DFADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)sc1C ZINC000024895096 182394441 /nfs/dbraw/zinc/39/44/41/182394441.db2.gz RXGXPFWLRYJRIC-UHFFFAOYSA-N -1 3 324.427 2.989 20 0 DFADHM C[C@@H](O)C1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000622380583 399250354 /nfs/dbraw/zinc/25/03/54/399250354.db2.gz NFMPWOZDXXXZLT-SECBINFHSA-N -1 3 317.307 2.644 20 0 DFADHM Cc1c(NC(=O)c2cc(C(F)(F)F)n[n-]2)cnn1CC(C)C ZINC000622475766 399255637 /nfs/dbraw/zinc/25/56/37/399255637.db2.gz LYOHJXJGINVGNA-UHFFFAOYSA-N -1 3 315.299 2.842 20 0 DFADHM Cc1c(NC(=O)c2cc(C(F)(F)F)[n-]n2)cnn1CC(C)C ZINC000622475766 399255640 /nfs/dbraw/zinc/25/56/40/399255640.db2.gz LYOHJXJGINVGNA-UHFFFAOYSA-N -1 3 315.299 2.842 20 0 DFADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@@H]1c1ccco1 ZINC000369457284 296230462 /nfs/dbraw/zinc/23/04/62/296230462.db2.gz ZEOCAQCUIKRELL-CQSZACIVSA-N -1 3 324.336 2.531 20 0 DFADHM C[C@@H](O)[C@H]1CCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000618925555 399260365 /nfs/dbraw/zinc/26/03/65/399260365.db2.gz IYAHSMZNNBBONR-CXAGYDPISA-N -1 3 313.397 2.850 20 0 DFADHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(C(C)(F)F)c1)OC ZINC000421143972 296237898 /nfs/dbraw/zinc/23/78/98/296237898.db2.gz BFJZBPQGFWFGOO-LBPRGKRZSA-N -1 3 307.362 2.965 20 0 DFADHM Cc1cnc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)s1 ZINC000608471790 399268104 /nfs/dbraw/zinc/26/81/04/399268104.db2.gz YKMVBYZCBQOERK-UHFFFAOYSA-N -1 3 318.398 2.801 20 0 DFADHM CC[C@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1Cl)OC ZINC000421159424 296239254 /nfs/dbraw/zinc/23/92/54/296239254.db2.gz UGVLFPGYUFWUPT-SSDOTTSWSA-N -1 3 313.753 2.785 20 0 DFADHM CCOc1ccc(F)c([N-]S(=O)(=O)C[C@H](CC)OC)c1F ZINC000421159328 296239088 /nfs/dbraw/zinc/23/90/88/296239088.db2.gz TTZVQKMJIMIHGJ-VIFPVBQESA-N -1 3 323.361 2.530 20 0 DFADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccccc2Cl)n1 ZINC000622738404 399269470 /nfs/dbraw/zinc/26/94/70/399269470.db2.gz QIXOWOJLMCXQEN-UHFFFAOYSA-N -1 3 305.765 2.809 20 0 DFADHM COc1ccc(N(C)C(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000622739815 399269584 /nfs/dbraw/zinc/26/95/84/399269584.db2.gz AKSHYAHQJKSYNV-UHFFFAOYSA-N -1 3 308.341 2.757 20 0 DFADHM CC(C)C[C@H](C)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825949 399273102 /nfs/dbraw/zinc/27/31/02/399273102.db2.gz KBKRQHJRGSIXNC-YNEHKIRRSA-N -1 3 321.421 2.549 20 0 DFADHM CC(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825948 399273325 /nfs/dbraw/zinc/27/33/25/399273325.db2.gz KBKRQHJRGSIXNC-XQQFMLRXSA-N -1 3 321.421 2.549 20 0 DFADHM C[C@H]1C[C@H](CO)CN(Cc2cccc([O-])c2Br)C1 ZINC000421361227 296247980 /nfs/dbraw/zinc/24/79/80/296247980.db2.gz KOZZOJBQKJUDFV-QWRGUYRKSA-N -1 3 314.223 2.605 20 0 DFADHM Cc1ccc([O-])c(CNc2ccc(C(N)=O)cc2OC(C)C)n1 ZINC000421408105 296253326 /nfs/dbraw/zinc/25/33/26/296253326.db2.gz KHJORUYEURXLFI-UHFFFAOYSA-N -1 3 315.373 2.594 20 0 DFADHM O=C(c1cc2c(cn1)OCCC2)N1CCCc2cccc([O-])c21 ZINC000369980952 284621005 /nfs/dbraw/zinc/62/10/05/284621005.db2.gz AIOMESZHQDAILY-UHFFFAOYSA-N -1 3 310.353 2.705 20 0 DFADHM CC(C)[C@@H](CC1CCCCC1)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614991097 399288823 /nfs/dbraw/zinc/28/88/23/399288823.db2.gz MKZAHUJHZAJHPX-GFCCVEGCSA-N -1 3 304.398 2.634 20 0 DFADHM CSCCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000608789152 399294986 /nfs/dbraw/zinc/29/49/86/399294986.db2.gz ZZGZGMZUDVMPBQ-UHFFFAOYSA-N -1 3 318.402 2.642 20 0 DFADHM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2csc(=O)[n-]2)C12CCC2 ZINC000619103659 399295489 /nfs/dbraw/zinc/29/54/89/399295489.db2.gz 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C[C@H]1CN(Cc2c[nH]nc2-c2cccs2)CC[C@@H]1C(=O)[O-] ZINC000629770660 399722283 /nfs/dbraw/zinc/72/22/83/399722283.db2.gz ATXBHVHUPSQZON-JQWIXIFHSA-N -1 3 305.403 2.681 20 0 DFADHM C[C@@H]1CN(Cc2cn(C)nc2-c2cccs2)CC[C@H]1C(=O)[O-] ZINC000629770896 399721638 /nfs/dbraw/zinc/72/16/38/399721638.db2.gz DDDOLHIPTYDQKX-DGCLKSJQSA-N -1 3 319.430 2.691 20 0 DFADHM C[C@@H]1CN(Cc2cnc(-c3ccccn3)s2)CC[C@H]1C(=O)[O-] ZINC000629772510 399722357 /nfs/dbraw/zinc/72/23/57/399722357.db2.gz QUPFRUHWTHFPSW-DGCLKSJQSA-N -1 3 317.414 2.748 20 0 DFADHM C[C@H]1CN(Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1C(=O)[O-] ZINC000629770899 399722120 /nfs/dbraw/zinc/72/21/20/399722120.db2.gz DFEFHDCRSTZNMO-AAEUAGOBSA-N -1 3 317.364 2.758 20 0 DFADHM Cc1ccc(-c2nn(C)cc2CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)o1 ZINC000629773139 399723165 /nfs/dbraw/zinc/72/31/65/399723165.db2.gz MQGUQXJPIYCSDW-SMDDNHRTSA-N -1 3 317.389 2.531 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCC23CC3)c1 ZINC000629830839 399731058 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Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)n1C1CC1 ZINC000121125216 195296268 /nfs/dbraw/zinc/29/62/68/195296268.db2.gz ACTSLXVBBWUKNA-UHFFFAOYSA-N -1 3 322.372 2.872 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)n1C1CC1 ZINC000121125216 195296270 /nfs/dbraw/zinc/29/62/70/195296270.db2.gz ACTSLXVBBWUKNA-UHFFFAOYSA-N -1 3 322.372 2.872 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)CSCC(F)(F)F)[n-]2)o1 ZINC000121731006 195335536 /nfs/dbraw/zinc/33/55/36/195335536.db2.gz HRXLTXMPYGUKND-UHFFFAOYSA-N -1 3 320.296 2.607 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)CSCC(F)(F)F)n2)o1 ZINC000121731006 195335539 /nfs/dbraw/zinc/33/55/39/195335539.db2.gz HRXLTXMPYGUKND-UHFFFAOYSA-N -1 3 320.296 2.607 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)CSCC(F)(F)F)n[n-]2)o1 ZINC000121731006 195335541 /nfs/dbraw/zinc/33/55/41/195335541.db2.gz HRXLTXMPYGUKND-UHFFFAOYSA-N -1 3 320.296 2.607 20 0 DFADHM Cc1cccc([C@H](C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000121733683 195336995 /nfs/dbraw/zinc/33/69/95/195336995.db2.gz XYXGOWOIYNJUAG-ZDUSSCGKSA-N 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20 0 DFADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3coc(C)n3)c2)n1 ZINC000188206538 542823080 /nfs/dbraw/zinc/82/30/80/542823080.db2.gz GHDWRXMEHPAVCF-UHFFFAOYSA-N -1 3 324.340 2.548 20 0 DFADHM CCc1ccccc1CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000188748877 542826477 /nfs/dbraw/zinc/82/64/77/542826477.db2.gz OSHIJXCJNFZBBG-UHFFFAOYSA-N -1 3 321.384 2.534 20 0 DFADHM CCc1ccccc1CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000188748877 542826482 /nfs/dbraw/zinc/82/64/82/542826482.db2.gz OSHIJXCJNFZBBG-UHFFFAOYSA-N -1 3 321.384 2.534 20 0 DFADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc(F)c[n-]c2=O)C12CCC2 ZINC000630081823 399808616 /nfs/dbraw/zinc/80/86/16/399808616.db2.gz HGGVMJIVNPOPFL-QWHCGFSZSA-N -1 3 322.380 2.782 20 0 DFADHM Cc1c(NC(=O)c2cccc3nn[n-]c32)cnn1C1CCCC1 ZINC000192985571 542855885 /nfs/dbraw/zinc/85/58/85/542855885.db2.gz KVCMEEYHBCWHJF-UHFFFAOYSA-N -1 3 310.361 2.830 20 0 DFADHM Cc1c(NC(=O)c2cccc3[n-]nnc32)cnn1C1CCCC1 ZINC000192985571 542855887 /nfs/dbraw/zinc/85/58/87/542855887.db2.gz 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CCCC[C@@H](CCC)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361497740 149131440 /nfs/dbraw/zinc/13/14/40/149131440.db2.gz QNXYAYWFDJGYFK-SECBINFHSA-N -1 3 321.347 2.982 20 0 DFADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cncs3)c2)n1 ZINC000361780048 149217543 /nfs/dbraw/zinc/21/75/43/149217543.db2.gz IVVGFMAEPWOVHP-UHFFFAOYSA-N -1 3 312.354 2.866 20 0 DFADHM CC1([N-]S(=O)(=O)c2cncc(Cl)c2)Cc2ccccc2C1 ZINC000350872855 286097203 /nfs/dbraw/zinc/09/72/03/286097203.db2.gz WVOCRZIZIZOVFR-UHFFFAOYSA-N -1 3 322.817 2.571 20 0 DFADHM Cc1cc([C@H]2CCCN2C(=O)NCc2ccc([O-])c(F)c2)on1 ZINC000350894845 286098311 /nfs/dbraw/zinc/09/83/11/286098311.db2.gz DKLFYMVJFZFXKZ-CYBMUJFWSA-N -1 3 319.336 2.874 20 0 DFADHM O=C(NCc1ncccc1[O-])NC1CCC(C2CCC2)CC1 ZINC000667201105 543564751 /nfs/dbraw/zinc/56/47/51/543564751.db2.gz GQOCCCIXLIUKJJ-UHFFFAOYSA-N -1 3 303.406 2.945 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC1(C)C ZINC000362761678 149359616 /nfs/dbraw/zinc/35/96/16/149359616.db2.gz AWGLQZOTUUHFBO-SECBINFHSA-N -1 3 303.811 2.673 20 0 DFADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1ncccc1F ZINC000351306236 286121160 /nfs/dbraw/zinc/12/11/60/286121160.db2.gz RVLFETSTNXHPAN-UHFFFAOYSA-N -1 3 314.769 2.859 20 0 DFADHM Cc1cc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)[n-]c(=O)n1 ZINC000351533257 286145650 /nfs/dbraw/zinc/14/56/50/286145650.db2.gz IQQVRHHTEPNTJZ-VIFPVBQESA-N -1 3 305.300 2.588 20 0 DFADHM Cc1noc(C2CCC(NC(=O)c3cccc([O-])c3)CC2)n1 ZINC000371581229 150068054 /nfs/dbraw/zinc/06/80/54/150068054.db2.gz GDMNSVZVCZQCGE-UHFFFAOYSA-N -1 3 301.346 2.540 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@@H]1COc1ccccc1 ZINC000371606747 150071252 /nfs/dbraw/zinc/07/12/52/150071252.db2.gz LMNLJTPDYRWSSG-ROJDOSBLSA-N -1 3 324.380 2.870 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000426556373 296633698 /nfs/dbraw/zinc/63/36/98/296633698.db2.gz CDQDFPCPLXERFT-CVEARBPZSA-N -1 3 303.402 2.984 20 0 DFADHM Cc1oncc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000372904372 150200077 /nfs/dbraw/zinc/20/00/77/150200077.db2.gz 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C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000377310812 150673314 /nfs/dbraw/zinc/67/33/14/150673314.db2.gz OCPOXBVWULGINU-BONVTDFDSA-N -1 3 307.346 2.626 20 0 DFADHM CCc1ocnc1C(=O)[N-]c1cc2c(cc1SC)OCCO2 ZINC000351736282 286206382 /nfs/dbraw/zinc/20/63/82/286206382.db2.gz LMVTYVOLCCWSOI-UHFFFAOYSA-N -1 3 320.370 2.982 20 0 DFADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000427224782 296650607 /nfs/dbraw/zinc/65/06/07/296650607.db2.gz SYADGEHMZAMGBB-ZIAGYGMSSA-N -1 3 323.462 2.522 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1C[C@H](O)Cc2ccccc21 ZINC000351835247 286229308 /nfs/dbraw/zinc/22/93/08/286229308.db2.gz GRLJSQJGAYPBCE-GFCCVEGCSA-N -1 3 303.745 2.609 20 0 DFADHM CNC(=O)c1ccc(C)c(NCc2c(F)ccc([O-])c2F)c1 ZINC000351904792 286241323 /nfs/dbraw/zinc/24/13/23/286241323.db2.gz JQPQHXUKXXEHLA-UHFFFAOYSA-N -1 3 306.312 2.951 20 0 DFADHM O=c1cc(C=Cc2ccc3c(c2)CCO3)nc(-c2ccncc2)[n-]1 ZINC000352025948 286272900 /nfs/dbraw/zinc/27/29/00/286272900.db2.gz HCNGUIDFXAZRFD-IWQZZHSRSA-N -1 3 317.348 2.937 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1(F)F ZINC000427654463 296663628 /nfs/dbraw/zinc/66/36/28/296663628.db2.gz NRLZPVIQRFHZAI-SNVBAGLBSA-N -1 3 306.312 2.645 20 0 DFADHM CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)c1 ZINC000352069207 286284688 /nfs/dbraw/zinc/28/46/88/286284688.db2.gz VKEXFQQFKFGJOL-CQSZACIVSA-N -1 3 321.446 2.621 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(OC(C)C)cc2)o1 ZINC000352090167 286289632 /nfs/dbraw/zinc/28/96/32/286289632.db2.gz WJQRDKLCXBTTQW-LBPRGKRZSA-N -1 3 324.402 2.810 20 0 DFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)o1 ZINC000352090106 286289643 /nfs/dbraw/zinc/28/96/43/286289643.db2.gz VPPJYJSSTJYGCW-NSHDSACASA-N -1 3 312.366 2.778 20 0 DFADHM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1csc(=O)[n-]1 ZINC000352077046 286286634 /nfs/dbraw/zinc/28/66/34/286286634.db2.gz QJTMMEDYNXOBSL-UHFFFAOYSA-N -1 3 300.742 2.913 20 0 DFADHM O=S(=O)([N-]C[C@H](c1ccccc1)C(F)(F)F)c1ccoc1 ZINC000352151252 286305525 /nfs/dbraw/zinc/30/55/25/286305525.db2.gz PEQBNXCQKRMMBF-GFCCVEGCSA-N -1 3 319.304 2.904 20 0 DFADHM CC(C)OC(=O)CC[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000352196226 286316659 /nfs/dbraw/zinc/31/66/59/286316659.db2.gz XJNPDVRKPDESKT-SNVBAGLBSA-N -1 3 313.781 2.896 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H]2CSC[C@@H]2C)c(Cl)cc1F ZINC000352337225 286347057 /nfs/dbraw/zinc/34/70/57/286347057.db2.gz FKEUWPKEFADCNL-KWQFWETISA-N -1 3 323.842 2.817 20 0 DFADHM Cc1ccc([O-])c(CN2CCc3c(cnn3-c3ccccc3)C2)n1 ZINC000352337927 286347086 /nfs/dbraw/zinc/34/70/86/286347086.db2.gz MNTXZPDHRNGLIY-UHFFFAOYSA-N -1 3 320.396 2.840 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CSC[C@@H]2C)sc1Cl ZINC000352346209 286349267 /nfs/dbraw/zinc/34/92/67/286349267.db2.gz QQLQORVNDHDICQ-JGVFFNPUSA-N -1 3 311.881 2.740 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@@H](C)[C@H](C)c2ccccc2)c(=O)[n-]1 ZINC000352380395 286358800 /nfs/dbraw/zinc/35/88/00/286358800.db2.gz HWPWBKGXCBPXGV-RYUDHWBXSA-N -1 3 313.401 2.650 20 0 DFADHM CCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000352498522 286389243 /nfs/dbraw/zinc/38/92/43/286389243.db2.gz GJHMKVBDZYMGQR-SNVBAGLBSA-N -1 3 322.883 2.554 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NCc2ncccc2[O-])o1 ZINC000352500063 286389638 /nfs/dbraw/zinc/38/96/38/286389638.db2.gz JFKHLDLJLQFQQO-YVECIDJPSA-N -1 3 312.369 2.924 20 0 DFADHM CC[C@@H](Sc1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000352501073 286389814 /nfs/dbraw/zinc/38/98/14/286389814.db2.gz MFDIAHJBTGXUSM-OAHLLOKOSA-N -1 3 302.399 2.974 20 0 DFADHM O=C(CCCOc1ccccc1Cl)NCc1ncccc1[O-] ZINC000352500769 286389906 /nfs/dbraw/zinc/38/99/06/286389906.db2.gz LIQRQGAREVJVMK-UHFFFAOYSA-N -1 3 320.776 2.916 20 0 DFADHM CSc1ccc(O[C@@H](C)C(=O)NCc2ncccc2[O-])cc1 ZINC000352502468 286390376 /nfs/dbraw/zinc/39/03/76/286390376.db2.gz VCKXVMBDGXQSIV-NSHDSACASA-N -1 3 318.398 2.593 20 0 DFADHM COc1ccccc1C[C@@H](C)CC(=O)NCc1ncccc1[O-] ZINC000352502881 286390706 /nfs/dbraw/zinc/39/07/06/286390706.db2.gz ZUVWJKKAEPDTIJ-CYBMUJFWSA-N -1 3 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XSTNOVDMLDGFSM-SFYZADRCSA-N -1 3 312.218 2.695 20 0 DFADHM [O-]c1ccc(F)c(CNCCOc2ccc(Cl)cn2)c1F ZINC000352657663 286432850 /nfs/dbraw/zinc/43/28/50/286432850.db2.gz BNVJNHURVIPETI-UHFFFAOYSA-N -1 3 314.719 2.887 20 0 DFADHM Cc1ncc(CNC(=O)Nc2cccc(F)c2Cl)c(=O)[n-]1 ZINC000352927670 286504820 /nfs/dbraw/zinc/50/48/20/286504820.db2.gz KZQNVDGHCOWMAG-UHFFFAOYSA-N -1 3 310.716 2.605 20 0 DFADHM O=C(/C=C\c1cnn(-c2ccccc2)c1)[N-]OC/C=C/Cl ZINC000493476759 299787239 /nfs/dbraw/zinc/78/72/39/299787239.db2.gz DQXXXLGCTJPYLW-TZRLODCYSA-N -1 3 303.749 2.686 20 0 DFADHM [O-]c1ccc(F)c(CN2CCC(Oc3cnccn3)CC2)c1F ZINC000353239146 286587918 /nfs/dbraw/zinc/58/79/18/286587918.db2.gz YOLJTJZXEIMVPA-UHFFFAOYSA-N -1 3 321.327 2.504 20 0 DFADHM CCn1cnc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)C)c1 ZINC000353277946 286599044 /nfs/dbraw/zinc/59/90/44/286599044.db2.gz YKXILUSXGKJESG-HNNXBMFYSA-N -1 3 307.419 2.579 20 0 DFADHM COc1nnc(NC(=O)[C@H](SCc2ccccc2)C(C)C)[n-]1 ZINC000182999541 158012248 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O=[S@@](Cc1nc(-c2ccc(F)cc2)no1)c1cccc([O-])c1 ZINC000184056591 158027205 /nfs/dbraw/zinc/02/72/05/158027205.db2.gz VCPVAOJLIULYBM-QFIPXVFZSA-N -1 3 318.329 2.889 20 0 DFADHM O=C(Cc1ccoc1)NCc1ccc([O-])c(Br)c1 ZINC000185090802 158044780 /nfs/dbraw/zinc/04/47/80/158044780.db2.gz WZTWZKSPOHSOFE-UHFFFAOYSA-N -1 3 310.147 2.607 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NC1(c2ccccc2)CCOCC1 ZINC000493594247 299798862 /nfs/dbraw/zinc/79/88/62/299798862.db2.gz HDDNBVRDZBCUJN-VOTSOKGWSA-N -1 3 324.380 2.623 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@@H](c3ccccc3F)C2)n1 ZINC000248743065 158199570 /nfs/dbraw/zinc/19/95/70/158199570.db2.gz MLYPAHKEVBRIOM-SWLSCSKDSA-N -1 3 317.364 2.764 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2)c([O-])c1 ZINC000354593665 158236236 /nfs/dbraw/zinc/23/62/36/158236236.db2.gz JRJPNUCJWBJYMY-UHFFFAOYSA-N -1 3 315.325 2.835 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N[C@@H](c3ncc[nH]3)C(C)C)c(=O)c2c1 ZINC000356989735 158339697 /nfs/dbraw/zinc/33/96/97/158339697.db2.gz 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CC[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCCO1 ZINC000281766773 287173424 /nfs/dbraw/zinc/17/34/24/287173424.db2.gz UHMRKZWICZUXAY-OAHLLOKOSA-N -1 3 303.402 2.912 20 0 DFADHM CCc1ccc(C=CC(=O)Nc2cc(-c3nccn3C)[n-]n2)o1 ZINC000131493449 196174168 /nfs/dbraw/zinc/17/41/68/196174168.db2.gz IPDGDUGUZKRQJD-VOTSOKGWSA-N -1 3 311.345 2.618 20 0 DFADHM CCc1ccc(C=CC(=O)Nc2cc(-c3nccn3C)n[n-]2)o1 ZINC000131493449 196174170 /nfs/dbraw/zinc/17/41/70/196174170.db2.gz IPDGDUGUZKRQJD-VOTSOKGWSA-N -1 3 311.345 2.618 20 0 DFADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000132089642 196225881 /nfs/dbraw/zinc/22/58/81/196225881.db2.gz OSMAUBMNLDMCBA-SFYZADRCSA-N -1 3 324.265 2.978 20 0 DFADHM Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000132256265 196240001 /nfs/dbraw/zinc/24/00/01/196240001.db2.gz DAFCXDBKQLYWRT-JTQLQIEISA-N -1 3 302.374 2.975 20 0 DFADHM O=S(=O)(c1nc(C2CC2)n[n-]1)[C@H]1CCc2c1cccc2Cl ZINC000133093673 196310768 /nfs/dbraw/zinc/31/07/68/196310768.db2.gz RSARFSJIARFFBH-LBPRGKRZSA-N 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KVBJEQHIGNTTGI-UHFFFAOYSA-N -1 3 317.370 2.530 20 0 DFADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCCOC1 ZINC000295931959 225389970 /nfs/dbraw/zinc/38/99/70/225389970.db2.gz FJMCPPSHGUWGRK-SECBINFHSA-N -1 3 314.179 2.828 20 0 DFADHM CCOc1cc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000668554640 543825727 /nfs/dbraw/zinc/82/57/27/543825727.db2.gz QFSNJVQOKBREAK-HBYGRHMLSA-N -1 3 313.825 2.893 20 0 DFADHM C[C@@]12COC[C@@H]1CN(Cc1cccc([O-])c1Br)C2 ZINC000668597536 543834467 /nfs/dbraw/zinc/83/44/67/543834467.db2.gz UCPOOKBXTSQQSA-SMDDNHRTSA-N -1 3 312.207 2.623 20 0 DFADHM CC(C)NC(=O)[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000668732041 543855548 /nfs/dbraw/zinc/85/55/48/543855548.db2.gz ZENMCSPKKGUJMN-CYBMUJFWSA-N -1 3 310.825 2.782 20 0 DFADHM CCOc1cc(CN2CCc3nccnc3C2)cc(Cl)c1[O-] ZINC000668734767 543855916 /nfs/dbraw/zinc/85/59/16/543855916.db2.gz SLZHZFALDWBNHG-UHFFFAOYSA-N -1 3 319.792 2.793 20 0 DFADHM [O-]c1ccc(Br)c(CN2CCc3nccnc3C2)c1 ZINC000668734645 543855992 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CC(C)(C)CS(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000669630261 543977459 /nfs/dbraw/zinc/97/74/59/543977459.db2.gz YUJZAXFQGWBQKZ-UHFFFAOYSA-N -1 3 313.316 2.709 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@@H]1c1cccc(F)c1 ZINC000669707258 543986878 /nfs/dbraw/zinc/98/68/78/543986878.db2.gz CWUALEWIMHFIDG-CQSZACIVSA-N -1 3 314.295 2.823 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@@H]1c1cccc(F)c1 ZINC000669707258 543986880 /nfs/dbraw/zinc/98/68/80/543986880.db2.gz CWUALEWIMHFIDG-CQSZACIVSA-N -1 3 314.295 2.823 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@@H]1c1cccc(F)c1 ZINC000669707258 543986882 /nfs/dbraw/zinc/98/68/82/543986882.db2.gz CWUALEWIMHFIDG-CQSZACIVSA-N -1 3 314.295 2.823 20 0 DFADHM O=C(Nc1nc(-c2ccncc2)cs1)c1ccc2n[n-]nc2c1 ZINC000669821556 543997531 /nfs/dbraw/zinc/99/75/31/543997531.db2.gz AZLVZVITCXNMBI-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000671188272 544059428 /nfs/dbraw/zinc/05/94/28/544059428.db2.gz LFUBEQNGPIHLJV-LHLIQPBNSA-N -1 3 324.627 2.789 20 0 DFADHM Cc1nc2ccccn2c1CN1CCC[C@H](CC(=O)[O-])CC1 ZINC000671517163 544082546 /nfs/dbraw/zinc/08/25/46/544082546.db2.gz QQOALDHXYULZDE-AWEZNQCLSA-N -1 3 301.390 2.720 20 0 DFADHM Cc1cc(C(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)ccc1[O-] ZINC000296908759 226615631 /nfs/dbraw/zinc/61/56/31/226615631.db2.gz HMOQKLLPZNMUSY-RDJZCZTQSA-N -1 3 312.369 2.746 20 0 DFADHM Cc1ncc(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c(=O)[n-]1 ZINC000671793997 544112371 /nfs/dbraw/zinc/11/23/71/544112371.db2.gz JYFLDMBOEYFRHN-VHDGCEQUSA-N -1 3 303.406 2.713 20 0 DFADHM Cc1ncc(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c(=O)[n-]1 ZINC000671793995 544112488 /nfs/dbraw/zinc/11/24/88/544112488.db2.gz JYFLDMBOEYFRHN-BPLDGKMQSA-N -1 3 303.406 2.713 20 0 DFADHM CCN1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H](C)C1 ZINC000672189475 544127942 /nfs/dbraw/zinc/12/79/42/544127942.db2.gz JWESPOUTABZPEV-JTQLQIEISA-N -1 3 316.323 2.577 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc(C)c1F 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DFADHM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccc(CN2CCCC2)c1 ZINC000236938778 268152247 /nfs/dbraw/zinc/15/22/47/268152247.db2.gz DOQGNMXDPGTDNH-AWEZNQCLSA-N -1 3 318.417 2.608 20 0 DFADHM O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cnn[n-]1 ZINC000047624836 425871219 /nfs/dbraw/zinc/87/12/19/425871219.db2.gz WJLAARIVFXMKRV-UHFFFAOYSA-N -1 3 312.304 2.775 20 0 DFADHM O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1c[n-]nn1 ZINC000047624836 425871220 /nfs/dbraw/zinc/87/12/20/425871220.db2.gz WJLAARIVFXMKRV-UHFFFAOYSA-N -1 3 312.304 2.775 20 0 DFADHM O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cn[n-]n1 ZINC000047624836 425871221 /nfs/dbraw/zinc/87/12/21/425871221.db2.gz WJLAARIVFXMKRV-UHFFFAOYSA-N -1 3 312.304 2.775 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c([O-])c1C ZINC000271233461 268248310 /nfs/dbraw/zinc/24/83/10/268248310.db2.gz DSDUSQOZYVUIJE-KDOFPFPSSA-N -1 3 303.402 2.776 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)c([O-])c1C ZINC000271453411 268249413 /nfs/dbraw/zinc/24/94/13/268249413.db2.gz SGRVQOSFMJEVBC-CQSZACIVSA-N -1 3 319.401 2.955 20 0 DFADHM COc1cc(C(=O)NC[C@H](C)Oc2ccccc2C)ccc1[O-] ZINC000276914362 268263157 /nfs/dbraw/zinc/26/31/57/268263157.db2.gz LLTFSYACKDXSKQ-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCOC1)c1c(Cl)cccc1Cl ZINC000048673621 425876780 /nfs/dbraw/zinc/87/67/80/425876780.db2.gz IJHZIMPSTPJLQO-SECBINFHSA-N -1 3 324.229 2.698 20 0 DFADHM CCOc1cc(C(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)on1 ZINC000295539818 268293497 /nfs/dbraw/zinc/29/34/97/268293497.db2.gz UAZBQMMNPSGFNS-UHFFFAOYSA-N -1 3 316.317 2.926 20 0 DFADHM CC[C@@](C)(CCO)NCc1cccc([O-])c1Br ZINC000314950872 268342526 /nfs/dbraw/zinc/34/25/26/268342526.db2.gz CEWUKHORRQZRIP-ZDUSSCGKSA-N -1 3 302.212 2.795 20 0 DFADHM [O-]c1cccc(CNCC2(O)CCCC2)c1Br ZINC000314968670 268342014 /nfs/dbraw/zinc/34/20/14/268342014.db2.gz AJBAMYMQFSQEIZ-UHFFFAOYSA-N -1 3 300.196 2.549 20 0 DFADHM [O-]c1cccc(CN[C@H]2CC[C@H](O)CC2)c1Br ZINC000315071290 268342149 /nfs/dbraw/zinc/34/21/49/268342149.db2.gz WUACZQMSHSZWFA-XYPYZODXSA-N -1 3 300.196 2.548 20 0 DFADHM CO[C@H](CNCc1cccc([O-])c1Br)C(C)C ZINC000315344066 268343151 /nfs/dbraw/zinc/34/31/51/268343151.db2.gz KTFYXGREAVBEBX-GFCCVEGCSA-N -1 3 302.212 2.915 20 0 DFADHM C[C@H](NCc1cccc([O-])c1Br)[C@@H]1CCCO1 ZINC000315265204 268343239 /nfs/dbraw/zinc/34/32/39/268343239.db2.gz YZOJOTCFSJWQNJ-CABZTGNLSA-N -1 3 300.196 2.812 20 0 DFADHM [O-]c1cccc(CN[C@@H]2CCCCC[C@H]2O)c1Br ZINC000315499871 268343278 /nfs/dbraw/zinc/34/32/78/268343278.db2.gz CGGRFNMGDZHBHA-VXGBXAGGSA-N -1 3 314.223 2.938 20 0 DFADHM [O-]c1cccc(CNC[C@@H]2CCC[C@H](O)C2)c1Br ZINC000315699777 268344135 /nfs/dbraw/zinc/34/41/35/268344135.db2.gz KHIVSSQVFZOHAD-PWSUYJOCSA-N -1 3 314.223 2.795 20 0 DFADHM Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000316544621 268344509 /nfs/dbraw/zinc/34/45/09/268344509.db2.gz RBIXUNUMQXRXAO-NUEKZKHPSA-N -1 3 303.402 2.856 20 0 DFADHM CC1(C)OCC[C@@H]1NCc1cccc([O-])c1Br ZINC000315973744 268344836 /nfs/dbraw/zinc/34/48/36/268344836.db2.gz RNTRSLMMMUSKEY-NSHDSACASA-N -1 3 300.196 2.812 20 0 DFADHM COc1ccc([C@H](C)NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000317686720 268345396 /nfs/dbraw/zinc/34/53/96/268345396.db2.gz IRSHTUVEMLCAMQ-NSHDSACASA-N -1 3 301.342 2.900 20 0 DFADHM COc1ccc(C(=O)NCc2c(Cl)cccc2OC)c([O-])c1 ZINC000318189985 268345979 /nfs/dbraw/zinc/34/59/79/268345979.db2.gz RPVPMLJSXXTOFI-UHFFFAOYSA-N -1 3 321.760 2.993 20 0 DFADHM COc1cccc(C(=O)NCCc2cccc3cccnc32)c1[O-] ZINC000325203703 268350793 /nfs/dbraw/zinc/35/07/93/268350793.db2.gz IJKRMCLMBCHGFL-UHFFFAOYSA-N -1 3 322.364 2.922 20 0 DFADHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000330676682 268354220 /nfs/dbraw/zinc/35/42/20/268354220.db2.gz UJAMGBCLZTXIRL-ZJUUUORDSA-N -1 3 322.352 2.957 20 0 DFADHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000331286070 268355681 /nfs/dbraw/zinc/35/56/81/268355681.db2.gz UAGXQLUGLLOCSZ-GXSJLCMTSA-N -1 3 322.352 2.957 20 0 DFADHM CNC(=O)CCCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000332669766 268360938 /nfs/dbraw/zinc/36/09/38/268360938.db2.gz BGSSYWOMOVEXHX-GFCCVEGCSA-N -1 3 304.390 2.539 20 0 DFADHM CC(C)(C)[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)C(N)=O ZINC000332715611 268363408 /nfs/dbraw/zinc/36/34/08/268363408.db2.gz MGPBLDWYBMDYBX-CQSZACIVSA-N -1 3 304.390 2.951 20 0 DFADHM Cc1nc(CCNC(=O)c2ccc3c(c2[O-])CCCC3)c(C)o1 ZINC000333008661 268369080 /nfs/dbraw/zinc/36/90/80/268369080.db2.gz ASPYYQIHOWFCTA-UHFFFAOYSA-N -1 3 314.385 2.848 20 0 DFADHM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000333029626 268370165 /nfs/dbraw/zinc/37/01/65/268370165.db2.gz HEAURJPRKLPDAI-WBVHZDCISA-N -1 3 301.386 2.568 20 0 DFADHM O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cc2c(cc1[O-])CCCC2 ZINC000333048526 268370943 /nfs/dbraw/zinc/37/09/43/268370943.db2.gz KTTCJWRYLFSLBB-FRFSOERESA-N -1 3 301.386 2.568 20 0 DFADHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2nc(C)c(C)s2)cs1 ZINC000333169844 268379775 /nfs/dbraw/zinc/37/97/75/268379775.db2.gz 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/nfs/dbraw/zinc/98/94/05/425989405.db2.gz PFQRZIZWUJZLCN-YPMHNXCESA-N -1 3 323.462 2.673 20 0 DFADHM CCC[C@H](C)NC(=O)[C@@H](C)SCc1nc(CC)cc(=O)[n-]1 ZINC000125796917 425990936 /nfs/dbraw/zinc/99/09/36/425990936.db2.gz ADADOEGKYCGABF-WDEREUQCSA-N -1 3 311.451 2.671 20 0 DFADHM CC(C)(C)c1noc(OCc2noc(-c3ccccc3[O-])n2)n1 ZINC000107421400 425992119 /nfs/dbraw/zinc/99/21/19/425992119.db2.gz CJDRQOPQTAPZKF-UHFFFAOYSA-N -1 3 316.317 2.702 20 0 DFADHM CCc1nc(C[N-]S(=O)(=O)c2cc(F)ccc2C)cs1 ZINC000107703729 426001030 /nfs/dbraw/zinc/00/10/30/426001030.db2.gz LYPUWMIPGQEFBG-UHFFFAOYSA-N -1 3 314.407 2.632 20 0 DFADHM CCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)s2)cs1 ZINC000107703658 426001101 /nfs/dbraw/zinc/00/11/01/426001101.db2.gz JJNAETALSABBKS-UHFFFAOYSA-N -1 3 322.864 2.899 20 0 DFADHM CCC[C@@H](C)N1C[C@H](C(=O)Nc2ccc(C)cc2[O-])CC1=O ZINC000126057448 426002495 /nfs/dbraw/zinc/00/24/95/426002495.db2.gz GOJKADZJNSVOII-CHWSQXEVSA-N -1 3 304.390 2.676 20 0 DFADHM COc1ccc([C@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000107761629 426002718 /nfs/dbraw/zinc/00/27/18/426002718.db2.gz GQAREOKKJNADLS-JTQLQIEISA-N -1 3 312.329 2.816 20 0 DFADHM COc1ccc([C@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000107761629 426002720 /nfs/dbraw/zinc/00/27/20/426002720.db2.gz GQAREOKKJNADLS-JTQLQIEISA-N -1 3 312.329 2.816 20 0 DFADHM COc1ccc([C@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000107761629 426002722 /nfs/dbraw/zinc/00/27/22/426002722.db2.gz GQAREOKKJNADLS-JTQLQIEISA-N -1 3 312.329 2.816 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cnn(-c3ccccc3)c2)on1 ZINC000126087529 426003992 /nfs/dbraw/zinc/00/39/92/426003992.db2.gz IJSHTEORVRZAPT-GFCCVEGCSA-N -1 3 311.345 2.608 20 0 DFADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[N-]c1nncn1C ZINC000159158175 425955350 /nfs/dbraw/zinc/95/53/50/425955350.db2.gz GGIFXFZBVCEHDT-ZETCQYMHSA-N -1 3 315.160 2.528 20 0 DFADHM O=S(=O)([N-][C@H]1CCCc2occc21)c1ccc(F)c(F)c1 ZINC000125276333 425962996 /nfs/dbraw/zinc/96/29/96/425962996.db2.gz PFQNFVCMCSHRSB-ZDUSSCGKSA-N -1 3 313.325 2.914 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c([O-])c1 ZINC000104855314 425965649 /nfs/dbraw/zinc/96/56/49/425965649.db2.gz CVPSQBSLSMNEBL-INIZCTEOSA-N -1 3 310.397 2.705 20 0 DFADHM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1[O-] ZINC000104826456 425965967 /nfs/dbraw/zinc/96/59/67/425965967.db2.gz JIDOIRZZRYEYFS-LLVKDONJSA-N -1 3 308.378 2.942 20 0 DFADHM CCOc1ccc(CNC(=O)c2ccc(O)cc2[O-])cc1F ZINC000105985307 425969027 /nfs/dbraw/zinc/96/90/27/425969027.db2.gz GNGKMWFMWQHRCL-UHFFFAOYSA-N -1 3 305.305 2.566 20 0 DFADHM CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000337285232 268473903 /nfs/dbraw/zinc/47/39/03/268473903.db2.gz KANPOSGKCCQYOT-UHFFFAOYSA-N -1 3 302.808 2.762 20 0 DFADHM C[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000070730801 425974613 /nfs/dbraw/zinc/97/46/13/425974613.db2.gz GASANWUPCGUYGY-GFCCVEGCSA-N -1 3 307.357 2.999 20 0 DFADHM C[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000070730801 425974616 /nfs/dbraw/zinc/97/46/16/425974616.db2.gz GASANWUPCGUYGY-GFCCVEGCSA-N -1 3 307.357 2.999 20 0 DFADHM CC(C)c1ncc(C(=O)Nc2nnc(-c3ccco3)[n-]2)s1 ZINC000161550028 426028870 /nfs/dbraw/zinc/02/88/70/426028870.db2.gz OUPLNXRDUPJAIR-UHFFFAOYSA-N -1 3 303.347 2.897 20 0 DFADHM CC(C)c1ncc(C(=O)Nc2nc(-c3ccco3)n[n-]2)s1 ZINC000161550028 426028872 /nfs/dbraw/zinc/02/88/72/426028872.db2.gz OUPLNXRDUPJAIR-UHFFFAOYSA-N -1 3 303.347 2.897 20 0 DFADHM CCc1nc([C@@H](C)NC(=O)c2ccc(OC)cc2[O-])cs1 ZINC000110498791 426033652 /nfs/dbraw/zinc/03/36/52/426033652.db2.gz NJURMUZEYAHJAB-SECBINFHSA-N -1 3 306.387 2.911 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000126820447 426038505 /nfs/dbraw/zinc/03/85/05/426038505.db2.gz VSEFBKJNLCXERQ-CYBMUJFWSA-N -1 3 322.368 2.772 20 0 DFADHM CCCCN(C)S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000074050488 426039433 /nfs/dbraw/zinc/03/94/33/426039433.db2.gz GGYKHYPCTWDRKP-UHFFFAOYSA-N -1 3 308.350 2.677 20 0 DFADHM O=c1cc(CSc2ccc(Br)cn2)occ1[O-] ZINC000126872133 426041261 /nfs/dbraw/zinc/04/12/61/426041261.db2.gz HEHBMPUOWSTPDW-UHFFFAOYSA-N -1 3 314.160 2.795 20 0 DFADHM C[C@@H]1CN(Cc2cc([O-])ccc2Br)C[C@H](C)O1 ZINC000126938918 426043037 /nfs/dbraw/zinc/04/30/37/426043037.db2.gz RZHCBEVYKDCMGS-AOOOYVTPSA-N -1 3 300.196 2.764 20 0 DFADHM COCc1ccc([C@H]2CCCN2C(=O)c2ccc(O)cc2[O-])o1 ZINC000161946023 426045741 /nfs/dbraw/zinc/04/57/41/426045741.db2.gz YYCNTJYOPDYXLV-CQSZACIVSA-N -1 3 317.341 2.815 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000161924100 426045784 /nfs/dbraw/zinc/04/57/84/426045784.db2.gz JYGASOOLIGEOEZ-NSHDSACASA-N -1 3 312.416 2.709 20 0 DFADHM Cc1ocnc1C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000161925762 426046343 /nfs/dbraw/zinc/04/63/43/426046343.db2.gz FYIZUZLFZWMCRX-UHFFFAOYSA-N -1 3 318.757 2.562 20 0 DFADHM Cc1ccccc1[C@@H](C)Sc1nnc2[n-]c(=O)c(C)nn21 ZINC000162120995 426053159 /nfs/dbraw/zinc/05/31/59/426053159.db2.gz GWENKEBBUXEKEN-SNVBAGLBSA-N -1 3 301.375 2.695 20 0 DFADHM CC[C@H](C)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000111629243 426054740 /nfs/dbraw/zinc/05/47/40/426054740.db2.gz PPGKYEUMXLFQMW-ZFWWWQNUSA-N -1 3 318.417 2.501 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCc3c4ccccc4[nH]c3C2)n1 ZINC000127182165 426054771 /nfs/dbraw/zinc/05/47/71/426054771.db2.gz AAHCCKDKROQENY-UHFFFAOYSA-N -1 3 308.385 2.784 20 0 DFADHM COc1cc(N[C@H](C)C(=O)[N-]c2cc(C)no2)c(C)c(OC)c1 ZINC000337651254 268525022 /nfs/dbraw/zinc/52/50/22/268525022.db2.gz DGLDNGOPWMRZAY-LLVKDONJSA-N -1 3 319.361 2.748 20 0 DFADHM Cc1cnc(C[N-]S(=O)(=O)Cc2ccccc2Cl)s1 ZINC000074880843 426057624 /nfs/dbraw/zinc/05/76/24/426057624.db2.gz XKULNQOJOUEOBZ-UHFFFAOYSA-N -1 3 316.835 2.725 20 0 DFADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2)cc1 ZINC000074934808 426058801 /nfs/dbraw/zinc/05/88/01/426058801.db2.gz FSVJDHMCSHNZJM-UHFFFAOYSA-N -1 3 306.387 2.980 20 0 DFADHM Cc1ccc(C(=O)N2CCC(Cc3nccn3C)CC2)c([O-])c1 ZINC000127287748 426059810 /nfs/dbraw/zinc/05/98/10/426059810.db2.gz PJPPAHYTOADNLA-UHFFFAOYSA-N -1 3 313.401 2.529 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)c3ccccc32)cn1C ZINC000162322261 426060116 /nfs/dbraw/zinc/06/01/16/426060116.db2.gz NITOHMUTILAYSE-XHDPSFHLSA-N -1 3 319.430 2.645 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2ccn(CC(F)(F)F)n2)c1 ZINC000127371855 426064083 /nfs/dbraw/zinc/06/40/83/426064083.db2.gz QBTWWRSVUDMBKA-UHFFFAOYSA-N -1 3 313.279 2.966 20 0 DFADHM COc1cc(C(=O)N(C)[C@H](C)c2cccnc2)cc(OC)c1[O-] ZINC000162461494 426065523 /nfs/dbraw/zinc/06/55/23/426065523.db2.gz ISQZUIZBMFNMIB-LLVKDONJSA-N -1 3 316.357 2.638 20 0 DFADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000127494146 426069447 /nfs/dbraw/zinc/06/94/47/426069447.db2.gz XDRJWCRITQHREE-KGLIPLIRSA-N -1 3 316.401 2.760 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@H]2C[C@H]2c2ccco2)n[n-]1 ZINC000127494357 426069756 /nfs/dbraw/zinc/06/97/56/426069756.db2.gz HNQNXXUMCGVKDD-NEPJUHHUSA-N -1 3 324.340 2.816 20 0 DFADHM O=C(Nc1ccccc1[O-])[C@H]1CCCCN1C(=O)c1ccco1 ZINC000127518726 426070000 /nfs/dbraw/zinc/07/00/00/426070000.db2.gz KPEVTGYFJPPUPJ-CYBMUJFWSA-N -1 3 314.341 2.619 20 0 DFADHM O=[S@@](Cc1nc(-c2ccc(F)cc2)no1)c1ccc([O-])cc1 ZINC000108084753 426009924 /nfs/dbraw/zinc/00/99/24/426009924.db2.gz LJWFLMFAYZWRQX-JOCHJYFZSA-N -1 3 318.329 2.889 20 0 DFADHM Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)c2ccc([O-])cc2)cc1F ZINC000108086884 426010354 /nfs/dbraw/zinc/01/03/54/426010354.db2.gz BFRFFOAYQMFLIC-XFNZEKPQSA-N -1 3 321.373 2.975 20 0 DFADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)CCCS1 ZINC000126242215 426011083 /nfs/dbraw/zinc/01/10/83/426011083.db2.gz LIGDYAFEYGJWKF-GFCCVEGCSA-N -1 3 307.387 2.529 20 0 DFADHM CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])c1ccco1 ZINC000072622457 426018316 /nfs/dbraw/zinc/01/83/16/426018316.db2.gz PSJVOTZLRKEUFO-LBPRGKRZSA-N -1 3 308.765 2.671 20 0 DFADHM Cc1[nH]nc2ncc(NC(=O)c3cc(-c4ccco4)[n-]n3)cc12 ZINC000126445155 426019262 /nfs/dbraw/zinc/01/92/62/426019262.db2.gz RBKSIMCKQYWVQO-UHFFFAOYSA-N -1 3 308.301 2.502 20 0 DFADHM Cc1[nH]nc2ncc(NC(=O)c3cc(-c4ccco4)n[n-]3)cc12 ZINC000126445155 426019265 /nfs/dbraw/zinc/01/92/65/426019265.db2.gz RBKSIMCKQYWVQO-UHFFFAOYSA-N -1 3 308.301 2.502 20 0 DFADHM NC(=O)c1cnc([N-]c2ncnc3cc(Cl)ccc32)s1 ZINC000163081727 426088504 /nfs/dbraw/zinc/08/85/04/426088504.db2.gz UYNMWWHQFZRCPJ-UHFFFAOYSA-N -1 3 305.750 2.582 20 0 DFADHM CC[C@H](OC1CCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000112857484 426095562 /nfs/dbraw/zinc/09/55/62/426095562.db2.gz VBHRTWHWOGTKFY-AWEZNQCLSA-N -1 3 315.377 2.543 20 0 DFADHM CC[C@H](OC1CCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000112857484 426095565 /nfs/dbraw/zinc/09/55/65/426095565.db2.gz VBHRTWHWOGTKFY-AWEZNQCLSA-N -1 3 315.377 2.543 20 0 DFADHM COC[C@@H]1CCCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000163561842 426103629 /nfs/dbraw/zinc/10/36/29/426103629.db2.gz YHIZMZWTAYOULU-CYBMUJFWSA-N -1 3 314.385 2.747 20 0 DFADHM CCOc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1C ZINC000113154166 426106576 /nfs/dbraw/zinc/10/65/76/426106576.db2.gz YLNYAKSXBWRSED-UHFFFAOYSA-N -1 3 314.267 2.783 20 0 DFADHM CCOc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1C ZINC000113154166 426106579 /nfs/dbraw/zinc/10/65/79/426106579.db2.gz YLNYAKSXBWRSED-UHFFFAOYSA-N -1 3 314.267 2.783 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1cccnc1)C1CC1 ZINC000163732698 426107555 /nfs/dbraw/zinc/10/75/55/426107555.db2.gz BIKMMZBRPSRFND-UHFFFAOYSA-N -1 3 315.348 2.801 20 0 DFADHM CN(C)CCN(Cc1ccccc1)C(=O)c1c([O-])cccc1F ZINC000163740156 426108379 /nfs/dbraw/zinc/10/83/79/426108379.db2.gz AZGBPHRNWFAIBA-UHFFFAOYSA-N -1 3 316.376 2.735 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N(C)CCOCC3CC3)c[n-]c12 ZINC000164754473 426118400 /nfs/dbraw/zinc/11/84/00/426118400.db2.gz JMZBZFYYHDRNQG-UHFFFAOYSA-N -1 3 314.385 2.747 20 0 DFADHM COc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)ccc1Cl ZINC000128476472 426119070 /nfs/dbraw/zinc/11/90/70/426119070.db2.gz HGPBLYBRMQSEHT-UHFFFAOYSA-N -1 3 318.720 2.979 20 0 DFADHM COc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)ccc1Cl ZINC000128476472 426119072 /nfs/dbraw/zinc/11/90/72/426119072.db2.gz HGPBLYBRMQSEHT-UHFFFAOYSA-N -1 3 318.720 2.979 20 0 DFADHM COc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)ccc1Cl ZINC000128476472 426119074 /nfs/dbraw/zinc/11/90/74/426119074.db2.gz HGPBLYBRMQSEHT-UHFFFAOYSA-N -1 3 318.720 2.979 20 0 DFADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCO[C@@H](C)[C@H]3C)c(=O)c2c1 ZINC000165006233 426119789 /nfs/dbraw/zinc/11/97/89/426119789.db2.gz VKKHRBUACYFKMB-OLZOCXBDSA-N -1 3 314.385 2.807 20 0 DFADHM Cc1ccc([O-])c(CN2CCCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000128506201 426120190 /nfs/dbraw/zinc/12/01/90/426120190.db2.gz WQEQWLZRRXUMGR-UHFFFAOYSA-N -1 3 321.421 2.538 20 0 DFADHM COc1ccc(F)cc1S(=O)(=O)[N-]C(C(C)C)C(C)C ZINC000113970684 426125302 /nfs/dbraw/zinc/12/53/02/426125302.db2.gz WTVWSKSEBZNESY-UHFFFAOYSA-N -1 3 303.399 2.793 20 0 DFADHM O=C(Nc1ccccc1[O-])C(=O)c1ccc(Br)cc1 ZINC000114536842 426138709 /nfs/dbraw/zinc/13/87/09/426138709.db2.gz LAKYLWDRJKRHQR-UHFFFAOYSA-N -1 3 320.142 2.976 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-]C(C)(C)c1cccc(C)c1 ZINC000128793451 426133601 /nfs/dbraw/zinc/13/36/01/426133601.db2.gz BQSQXEULKVUDTQ-UHFFFAOYSA-N -1 3 308.403 2.813 20 0 DFADHM COc1cccc(-c2noc([N-]Cc3ncccc3F)n2)c1 ZINC000127672622 426078541 /nfs/dbraw/zinc/07/85/41/426078541.db2.gz ZZPSDYNHWVDJOX-UHFFFAOYSA-N -1 3 300.293 2.891 20 0 DFADHM Cc1ccc(-c2ocnc2C(=O)[N-]c2nnc3n2CCCC3)cc1 ZINC000162829586 426078855 /nfs/dbraw/zinc/07/88/55/426078855.db2.gz VMICLPBLLURVIX-UHFFFAOYSA-N -1 3 323.356 2.830 20 0 DFADHM CC(C)OC(=O)CSCc1noc(-c2ccccc2[O-])n1 ZINC000127672809 426079526 /nfs/dbraw/zinc/07/95/26/426079526.db2.gz NFDSAUSTZHDMBH-UHFFFAOYSA-N -1 3 308.359 2.627 20 0 DFADHM O=S(=O)([N-][C@@H]1C=CCCC1)c1ccc(Br)s1 ZINC000127757432 426084617 /nfs/dbraw/zinc/08/46/17/426084617.db2.gz BNAUWALSVZIISA-MRVPVSSYSA-N -1 3 322.249 2.898 20 0 DFADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)CCC(C)(C)C)c1 ZINC000338214072 268641098 /nfs/dbraw/zinc/64/10/98/268641098.db2.gz JBYXHXDLNFVADT-GFCCVEGCSA-N -1 3 301.456 2.957 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000134939133 426201376 /nfs/dbraw/zinc/20/13/76/426201376.db2.gz KNYVBRJIXJXOSD-SECBINFHSA-N -1 3 300.380 2.630 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)c2cccc(C(N)=O)c2)c1[O-] ZINC000116979463 426203604 /nfs/dbraw/zinc/20/36/04/426203604.db2.gz CCPHCKUACSYLGK-UHFFFAOYSA-N -1 3 304.733 2.705 20 0 DFADHM Cc1ccc(C(N)=O)cc1NC(=O)c1c[n-]nc1-c1ccccc1 ZINC000079807754 426204272 /nfs/dbraw/zinc/20/42/72/426204272.db2.gz SGIXDTYYYXMDFP-UHFFFAOYSA-N -1 3 320.352 2.736 20 0 DFADHM Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)c1[O-] ZINC000170801782 426151245 /nfs/dbraw/zinc/15/12/45/426151245.db2.gz LPQFAOGZPSYESO-UHFFFAOYSA-N -1 3 302.355 2.928 20 0 DFADHM CCO[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000170849615 426154466 /nfs/dbraw/zinc/15/44/66/426154466.db2.gz KRBIKLCDKRBNKT-VIFPVBQESA-N -1 3 314.267 2.540 20 0 DFADHM CCO[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000170849615 426154469 /nfs/dbraw/zinc/15/44/69/426154469.db2.gz KRBIKLCDKRBNKT-VIFPVBQESA-N -1 3 314.267 2.540 20 0 DFADHM CCc1nc(CCNC(=O)Cc2ccc([O-])cc2Cl)cs1 ZINC000130306847 426155092 /nfs/dbraw/zinc/15/50/92/426155092.db2.gz FIBCRTNUIDKQCS-UHFFFAOYSA-N -1 3 324.833 2.966 20 0 DFADHM COc1cccc(C(=O)Nc2cccc(C[S@@](C)=O)c2)c1[O-] ZINC000115264568 426159109 /nfs/dbraw/zinc/15/91/09/426159109.db2.gz IBHZCISKQRBYAV-QFIPXVFZSA-N -1 3 319.382 2.532 20 0 DFADHM COc1ccc(CNC(=O)c2cccc(C)c2[O-])c(OC)c1 ZINC000078258646 426162757 /nfs/dbraw/zinc/16/27/57/426162757.db2.gz GYSNFGVJOOXIQL-UHFFFAOYSA-N -1 3 301.342 2.648 20 0 DFADHM Cc1nc(C)c(CC(=O)N[C@H](C)CCC2CCCCC2)c(=O)[n-]1 ZINC000115446009 426164243 /nfs/dbraw/zinc/16/42/43/426164243.db2.gz JROCUFRMEYVCIG-GFCCVEGCSA-N -1 3 319.449 2.794 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1[O-] ZINC000078341049 426166111 /nfs/dbraw/zinc/16/61/11/426166111.db2.gz DWCJXACZYONNMX-JTQLQIEISA-N -1 3 312.325 2.672 20 0 DFADHM Cc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cccs3)C2)cc1 ZINC000115581645 426169391 /nfs/dbraw/zinc/16/93/91/426169391.db2.gz MOCALEAATDLVRY-ZDUSSCGKSA-N -1 3 322.455 2.614 20 0 DFADHM COCC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000171102812 426169917 /nfs/dbraw/zinc/16/99/17/426169917.db2.gz OMIMEYPXCQQHLE-MRVPVSSYSA-N -1 3 312.218 2.697 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc3c(c2)CCCO3)on1 ZINC000171117588 426170927 /nfs/dbraw/zinc/17/09/27/426170927.db2.gz RNCBDRLOVSTYHM-LLVKDONJSA-N -1 3 301.346 2.747 20 0 DFADHM CCc1ccc([C@H](COC)NC(=O)c2cccc(OC)c2[O-])o1 ZINC000133320194 426173982 /nfs/dbraw/zinc/17/39/82/426173982.db2.gz CZGSBGKWSATRJE-ZDUSSCGKSA-N -1 3 319.357 2.674 20 0 DFADHM COc1ccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)c([O-])c1 ZINC000116097820 426179228 /nfs/dbraw/zinc/17/92/28/426179228.db2.gz HFVFRZSTFWMQFF-SMDDNHRTSA-N -1 3 319.307 2.965 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(O)cc1[O-] ZINC000116097758 426179269 /nfs/dbraw/zinc/17/92/69/426179269.db2.gz PGYMFLQKLZVJRD-ZWNOBZJWSA-N -1 3 305.280 2.662 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2)c(F)c1 ZINC000078706294 426181316 /nfs/dbraw/zinc/18/13/16/426181316.db2.gz WDSAPDHBYJTDIB-ZDUSSCGKSA-N -1 3 323.389 2.880 20 0 DFADHM CC[C@H]1CN(C(=O)c2cccc(C)c2[O-])CCN1CC(F)F ZINC000133582647 426181896 /nfs/dbraw/zinc/18/18/96/426181896.db2.gz CNXGCEXCBPRKQD-LBPRGKRZSA-N -1 3 312.360 2.502 20 0 DFADHM CCCN(CCC)C(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117115844 426206209 /nfs/dbraw/zinc/20/62/09/426206209.db2.gz UGXLNKKYQLAVKM-UHFFFAOYSA-N -1 3 319.434 2.607 20 0 DFADHM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)c([O-])c1 ZINC000116644562 426193756 /nfs/dbraw/zinc/19/37/56/426193756.db2.gz GOVBVJYZFOXUOH-MRXNPFEDSA-N -1 3 324.380 2.578 20 0 DFADHM COc1ccc(C(=O)N2CCOC[C@@H]2c2ccc(C)o2)c([O-])c1 ZINC000116707074 426194861 /nfs/dbraw/zinc/19/48/61/426194861.db2.gz HMQIGLFMCAHGFG-CQSZACIVSA-N -1 3 317.341 2.516 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(-n2ccnc2)cc1 ZINC000172416199 426225814 /nfs/dbraw/zinc/22/58/14/426225814.db2.gz KDGUCVRKFZIQAD-UHFFFAOYSA-N -1 3 311.316 2.647 20 0 DFADHM CCN(CC(C)C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000135788229 426229056 /nfs/dbraw/zinc/22/90/56/426229056.db2.gz NWMHBYUEDPGVSA-HNNXBMFYSA-N -1 3 318.417 2.501 20 0 DFADHM COCc1nc(C(=O)[N-]c2ncnc3oc(C)c(C)c32)cs1 ZINC000118201140 426229465 /nfs/dbraw/zinc/22/94/65/426229465.db2.gz KRVFUVZTBOEHMF-UHFFFAOYSA-N -1 3 318.358 2.695 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000118268803 426231456 /nfs/dbraw/zinc/23/14/56/426231456.db2.gz NJUFLXYXUZWHRO-MLGOLLRUSA-N -1 3 321.417 2.972 20 0 DFADHM CCCCOCC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000118314725 426233273 /nfs/dbraw/zinc/23/32/73/426233273.db2.gz HNGOZXTXEDLGQO-UHFFFAOYSA-N -1 3 315.373 2.501 20 0 DFADHM COc1ccccc1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000136054510 426234598 /nfs/dbraw/zinc/23/45/98/426234598.db2.gz VFKCSPZEHMIKQD-UHFFFAOYSA-N -1 3 305.761 2.913 20 0 DFADHM CC[C@H](C)c1cc(C(=O)[N-]c2cccc(C(=O)OC)c2O)on1 ZINC000173136098 426234801 /nfs/dbraw/zinc/23/48/01/426234801.db2.gz XUOAPLXKLQSLTK-VIFPVBQESA-N -1 3 318.329 2.933 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NCCOc1cccc(F)c1 ZINC000136159516 426235440 /nfs/dbraw/zinc/23/54/40/426235440.db2.gz QKTSNAXBQDNTGQ-UHFFFAOYSA-N -1 3 323.751 2.922 20 0 DFADHM CC(C)[C@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCS1 ZINC000173482543 426241338 /nfs/dbraw/zinc/24/13/38/426241338.db2.gz CCFVQLVFESJTPH-OAHLLOKOSA-N -1 3 318.446 2.546 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000118989547 426253473 /nfs/dbraw/zinc/25/34/73/426253473.db2.gz ANYYRTIBLHITJU-OLZOCXBDSA-N -1 3 321.446 2.567 20 0 DFADHM CCc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000085785857 426254637 /nfs/dbraw/zinc/25/46/37/426254637.db2.gz AKUMROUSTHYTCZ-UHFFFAOYSA-N -1 3 324.424 2.913 20 0 DFADHM CCc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000174607406 426260146 /nfs/dbraw/zinc/26/01/46/426260146.db2.gz SZVKOHZJGANERD-UHFFFAOYSA-N -1 3 324.424 2.913 20 0 DFADHM COc1cccc(C(=O)N[C@@H](C)COCc2ccccc2)c1[O-] ZINC000174588527 426260394 /nfs/dbraw/zinc/26/03/94/426260394.db2.gz JNWHFWSHDXBVSL-ZDUSSCGKSA-N -1 3 315.369 2.736 20 0 DFADHM COc1ccc([C@H](C)CCNC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000150772153 426261705 /nfs/dbraw/zinc/26/17/05/426261705.db2.gz SWOSUUJEQLDUAI-GFCCVEGCSA-N -1 3 324.384 2.890 20 0 DFADHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000119160863 426267248 /nfs/dbraw/zinc/26/72/48/426267248.db2.gz LCACZJLLKJCDSD-LBPRGKRZSA-N -1 3 323.817 2.555 20 0 DFADHM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1ncnn1C ZINC000150967483 426270469 /nfs/dbraw/zinc/27/04/69/426270469.db2.gz IDBCLDTVSKEWMO-UHFFFAOYSA-N -1 3 317.736 2.684 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)c2cccc(C)c2[O-])n[nH]1 ZINC000079988786 426208590 /nfs/dbraw/zinc/20/85/90/426208590.db2.gz FXUQGEFHYMYUJR-UHFFFAOYSA-N -1 3 324.340 2.747 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000135196370 426208829 /nfs/dbraw/zinc/20/88/29/426208829.db2.gz LEMHKJQLXZFYJS-CYBMUJFWSA-N -1 3 315.344 2.942 20 0 DFADHM CCO[C@H](CCNC(=O)c1ccc2n[n-]nc2c1)C1CCCC1 ZINC000080017367 426209684 /nfs/dbraw/zinc/20/96/84/426209684.db2.gz FDVFULMWDLVHND-MRXNPFEDSA-N -1 3 316.405 2.673 20 0 DFADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccccn1 ZINC000135339506 426213982 /nfs/dbraw/zinc/21/39/82/426213982.db2.gz KXDWEJYWIKYJGP-LLVKDONJSA-N -1 3 312.369 2.992 20 0 DFADHM CCC[C@@](C)(NCc1ccc(Br)cn1)C(=O)[O-] ZINC000135397363 426216747 /nfs/dbraw/zinc/21/67/47/426216747.db2.gz RYQLYSZJTIPIKY-GFCCVEGCSA-N -1 3 301.184 2.577 20 0 DFADHM CCc1onc(C)c1[N-]C(=O)c1cn(-c2cccc(C)c2)nn1 ZINC000089392447 426288331 /nfs/dbraw/zinc/28/83/31/426288331.db2.gz UISHNHBPUCTPFE-UHFFFAOYSA-N -1 3 311.345 2.687 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@]12CCc1ccccc12 ZINC000175226335 426289212 /nfs/dbraw/zinc/28/92/12/426289212.db2.gz HKKCMKUVGZEIGD-YGRLFVJLSA-N -1 3 322.290 2.666 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@]12CCc1ccccc12 ZINC000175226335 426289214 /nfs/dbraw/zinc/28/92/14/426289214.db2.gz HKKCMKUVGZEIGD-YGRLFVJLSA-N -1 3 322.290 2.666 20 0 DFADHM CSc1nnc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)[n-]1 ZINC000339392064 268806000 /nfs/dbraw/zinc/80/60/00/268806000.db2.gz NGGQRNJJNUEQCG-QMMMGPOBSA-N -1 3 310.810 2.997 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)n1 ZINC000339392064 268806004 /nfs/dbraw/zinc/80/60/04/268806004.db2.gz NGGQRNJJNUEQCG-QMMMGPOBSA-N -1 3 310.810 2.997 20 0 DFADHM CSc1nc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)n[n-]1 ZINC000339392064 268806006 /nfs/dbraw/zinc/80/60/06/268806006.db2.gz NGGQRNJJNUEQCG-QMMMGPOBSA-N -1 3 310.810 2.997 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)n[n-]1 ZINC000119525118 426295151 /nfs/dbraw/zinc/29/51/51/426295151.db2.gz IZGVCINXJWSGQX-OLZOCXBDSA-N -1 3 313.405 2.965 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)[n-]n1 ZINC000119525118 426295152 /nfs/dbraw/zinc/29/51/52/426295152.db2.gz IZGVCINXJWSGQX-OLZOCXBDSA-N -1 3 313.405 2.965 20 0 DFADHM C[C@H]1CCC[C@H](CC(=O)Nc2cc(-c3nccn3C)[n-]n2)C1 ZINC000119539786 426295892 /nfs/dbraw/zinc/29/58/92/426295892.db2.gz CATYVBLTGQATQG-RYUDHWBXSA-N -1 3 301.394 2.965 20 0 DFADHM C[C@H]1CCC[C@H](CC(=O)Nc2cc(-c3nccn3C)n[n-]2)C1 ZINC000119539786 426295896 /nfs/dbraw/zinc/29/58/96/426295896.db2.gz CATYVBLTGQATQG-RYUDHWBXSA-N -1 3 301.394 2.965 20 0 DFADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nccn3C)[n-]n2)C1 ZINC000119539886 426296328 /nfs/dbraw/zinc/29/63/28/426296328.db2.gz CATYVBLTGQATQG-VXGBXAGGSA-N -1 3 301.394 2.965 20 0 DFADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nccn3C)n[n-]2)C1 ZINC000119539886 426296330 /nfs/dbraw/zinc/29/63/30/426296330.db2.gz CATYVBLTGQATQG-VXGBXAGGSA-N -1 3 301.394 2.965 20 0 DFADHM COc1ccc(C(=O)NC[C@@H](c2cccnc2)C(C)C)c([O-])c1 ZINC000175319913 426296895 /nfs/dbraw/zinc/29/68/95/426296895.db2.gz MOIUWDNAXVCBKC-MRXNPFEDSA-N -1 3 314.385 2.965 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CC2(Cl)Cl)c([O-])c1 ZINC000089543881 426297142 /nfs/dbraw/zinc/29/71/42/426297142.db2.gz MSHILCBFSLVQQN-MRVPVSSYSA-N -1 3 318.156 2.701 20 0 DFADHM CSC[C@@H](C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151576270 426302425 /nfs/dbraw/zinc/30/24/25/426302425.db2.gz ZTTMNIYMZAJGGD-MRVPVSSYSA-N -1 3 318.236 2.770 20 0 DFADHM CCCCOCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151585608 426303050 /nfs/dbraw/zinc/30/30/50/426303050.db2.gz RVLYJNDVSKBLHT-UHFFFAOYSA-N -1 3 316.195 2.588 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Cl)s2)n[n-]1 ZINC000119839014 426303694 /nfs/dbraw/zinc/30/36/94/426303694.db2.gz MTIVSKPTQVQVPU-UHFFFAOYSA-N -1 3 307.766 2.777 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Cl)s2)[n-]n1 ZINC000119839014 426303698 /nfs/dbraw/zinc/30/36/98/426303698.db2.gz MTIVSKPTQVQVPU-UHFFFAOYSA-N -1 3 307.766 2.777 20 0 DFADHM C[C@H]1CN(C(=O)c2ccc(O)cc2[O-])[C@@H](c2ccccc2)CO1 ZINC000175435362 426304962 /nfs/dbraw/zinc/30/49/62/426304962.db2.gz JDTDCDKJMVFKLO-BLLLJJGKSA-N -1 3 313.353 2.700 20 0 DFADHM CCOCCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151623847 426304978 /nfs/dbraw/zinc/30/49/78/426304978.db2.gz JRHVNKNIVNBKET-UHFFFAOYSA-N -1 3 316.195 2.588 20 0 DFADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000089769774 426307279 /nfs/dbraw/zinc/30/72/79/426307279.db2.gz VONJQGXAYSEABD-LNLATYFQSA-N -1 3 301.264 2.917 20 0 DFADHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000151699511 426308616 /nfs/dbraw/zinc/30/86/16/426308616.db2.gz UVACWVIXOVZOMQ-DIFFPNOSSA-N -1 3 313.353 2.562 20 0 DFADHM CC(C)(C)CCN1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000120479496 426311573 /nfs/dbraw/zinc/31/15/73/426311573.db2.gz GMFAHMDWQJGZRT-UHFFFAOYSA-N -1 3 308.397 2.725 20 0 DFADHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000175548194 426313405 /nfs/dbraw/zinc/31/34/05/426313405.db2.gz JSWTVKPBFUQPGX-YTEVENLXSA-N -1 3 317.410 2.963 20 0 DFADHM O=S(=O)(CCCF)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000175561417 426313900 /nfs/dbraw/zinc/31/39/00/426313900.db2.gz AYJVDTUQEMQNCP-GFCCVEGCSA-N -1 3 314.407 2.512 20 0 DFADHM Cc1ccc(C)c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000120783251 426315337 /nfs/dbraw/zinc/31/53/37/426315337.db2.gz YJDXSHPWFYHIGQ-UHFFFAOYSA-N -1 3 307.357 2.660 20 0 DFADHM Cc1ccc(C)c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000120783251 426315340 /nfs/dbraw/zinc/31/53/40/426315340.db2.gz YJDXSHPWFYHIGQ-UHFFFAOYSA-N -1 3 307.357 2.660 20 0 DFADHM Cc1nc(CCCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cs1 ZINC000175759212 426326715 /nfs/dbraw/zinc/32/67/15/426326715.db2.gz DOOUWRIOAGQQTM-UHFFFAOYSA-N -1 3 319.312 2.550 20 0 DFADHM Cc1nc(CCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cs1 ZINC000175759212 426326717 /nfs/dbraw/zinc/32/67/17/426326717.db2.gz DOOUWRIOAGQQTM-UHFFFAOYSA-N -1 3 319.312 2.550 20 0 DFADHM NC(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000175825727 426330793 /nfs/dbraw/zinc/33/07/93/426330793.db2.gz APZLHSSTGQKOOT-UHFFFAOYSA-N -1 3 324.258 2.762 20 0 DFADHM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1c[n-]c2ccccc2c1=O ZINC000152301334 426337713 /nfs/dbraw/zinc/33/77/13/426337713.db2.gz OQFUNSZBCHLAHK-FHLIZLRMSA-N -1 3 316.360 2.596 20 0 DFADHM CCc1noc(CC)c1CNC(=O)c1cccc(CC)c1[O-] ZINC000088465339 426276774 /nfs/dbraw/zinc/27/67/74/426276774.db2.gz UMVWXOKXMJKMHU-UHFFFAOYSA-N -1 3 302.374 2.997 20 0 DFADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119378531 426284204 /nfs/dbraw/zinc/28/42/04/426284204.db2.gz VQUIOLCHTOMOEI-FZMZJTMJSA-N -1 3 316.405 2.715 20 0 DFADHM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000175207794 426287649 /nfs/dbraw/zinc/28/76/49/426287649.db2.gz MOLNDJPWLDHFNO-SNVBAGLBSA-N -1 3 315.200 2.619 20 0 DFADHM Cc1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1[O-] ZINC000122882196 426400465 /nfs/dbraw/zinc/40/04/65/426400465.db2.gz JSUAJJBTBAECNE-UHFFFAOYSA-N -1 3 310.353 2.845 20 0 DFADHM CCC[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000153703658 426401052 /nfs/dbraw/zinc/40/10/52/426401052.db2.gz FZNLUIMLUBIUPL-CQSZACIVSA-N -1 3 301.394 2.555 20 0 DFADHM CCC[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000153703658 426401055 /nfs/dbraw/zinc/40/10/55/426401055.db2.gz FZNLUIMLUBIUPL-CQSZACIVSA-N -1 3 301.394 2.555 20 0 DFADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000176671810 426403031 /nfs/dbraw/zinc/40/30/31/426403031.db2.gz AFFWBWXECOCBQB-IINYFYTJSA-N -1 3 314.385 2.515 20 0 DFADHM O=C(c1ccccc1[O-])N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091761527 426342692 /nfs/dbraw/zinc/34/26/92/426342692.db2.gz OIKBWFJXJMEQMY-IAQYHMDHSA-N -1 3 319.307 2.619 20 0 DFADHM O=C(CCC1CCOCC1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000175971979 426343101 /nfs/dbraw/zinc/34/31/01/426343101.db2.gz JGXAOVDANSSUGD-UHFFFAOYSA-N -1 3 318.352 2.756 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)c([O-])c1 ZINC000091681742 426343262 /nfs/dbraw/zinc/34/32/62/426343262.db2.gz ZEZFRDCFFGRCES-OYHNWAKOSA-N -1 3 317.410 2.550 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c1 ZINC000121472835 426345761 /nfs/dbraw/zinc/34/57/61/426345761.db2.gz YOPCTSRTZXKFCS-OAHLLOKOSA-N -1 3 323.389 2.536 20 0 DFADHM C[C@H](CNC(=O)c1c([O-])cccc1O)COCc1ccccc1 ZINC000092119847 426345801 /nfs/dbraw/zinc/34/58/01/426345801.db2.gz UXSWMBHHWRYVQO-CYBMUJFWSA-N -1 3 315.369 2.681 20 0 DFADHM CCO[C@H](CCNC(=O)c1c([O-])cccc1O)C1CCCC1 ZINC000092123861 426348798 /nfs/dbraw/zinc/34/87/98/426348798.db2.gz JDYJQHDJTATTRC-OAHLLOKOSA-N -1 3 307.390 2.813 20 0 DFADHM COc1ccc(C(=O)N(C)[C@H](C)c2cccc(O)c2)c([O-])c1 ZINC000092602232 426351757 /nfs/dbraw/zinc/35/17/57/426351757.db2.gz ZXTHLGZDUIGLMU-LLVKDONJSA-N -1 3 301.342 2.940 20 0 DFADHM O=C(c1ccccc1[O-])N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000121842037 426354142 /nfs/dbraw/zinc/35/41/42/426354142.db2.gz SKWKMTNUOIXTPI-STQMWFEESA-N -1 3 307.415 2.519 20 0 DFADHM CCOc1cccnc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000176150821 426355704 /nfs/dbraw/zinc/35/57/04/426355704.db2.gz WGKXSLPJDMJEJM-UHFFFAOYSA-N -1 3 318.280 2.603 20 0 DFADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C[C@H]2CCCO2)cc1F ZINC000122121562 426359745 /nfs/dbraw/zinc/35/97/45/426359745.db2.gz SRLSVGFTIJMJTI-WDEREUQCSA-N -1 3 319.373 2.509 20 0 DFADHM Cc1noc(C)c1C[C@@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000152887701 426360039 /nfs/dbraw/zinc/36/00/39/426360039.db2.gz NMNZMNUXZZEQQI-SECBINFHSA-N -1 3 322.792 2.940 20 0 DFADHM CCNC(=O)c1ccc(NC(=O)c2cc(CC)ccc2[O-])cc1 ZINC000094016255 426360350 /nfs/dbraw/zinc/36/03/50/426360350.db2.gz PNUPUTYBBKWDMT-UHFFFAOYSA-N -1 3 312.369 2.957 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000122232936 426364945 /nfs/dbraw/zinc/36/49/45/426364945.db2.gz NCWJHJDCHVXKFK-HNNXBMFYSA-N -1 3 302.374 2.755 20 0 DFADHM O=S(=O)([N-]c1c(F)cccc1F)c1cncc(Cl)c1 ZINC000339961155 268923552 /nfs/dbraw/zinc/92/35/52/268923552.db2.gz AYZKGCCCCLHTHJ-UHFFFAOYSA-N -1 3 304.705 2.814 20 0 DFADHM CC(C)N(C)CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000153166088 426373177 /nfs/dbraw/zinc/37/31/77/426373177.db2.gz BTUZVNHLSXNWQN-UHFFFAOYSA-N -1 3 304.312 2.593 20 0 DFADHM CCc1n[nH]c(=O)c(C(=O)Nc2ccc(Cl)cc2[O-])c1CC ZINC000153431694 426385324 /nfs/dbraw/zinc/38/53/24/426385324.db2.gz LGGUXMPQSCDVGN-UHFFFAOYSA-N -1 3 321.764 2.506 20 0 DFADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000176466300 426385444 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C[C@H](C(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccc(Cl)s1 ZINC000273300516 426636997 /nfs/dbraw/zinc/63/69/97/426636997.db2.gz WDYFXGMFEIWIEZ-QMMMGPOBSA-N -1 3 323.805 2.586 20 0 DFADHM Cn1ccc(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)n1 ZINC000187347241 426652710 /nfs/dbraw/zinc/65/27/10/426652710.db2.gz PISDKIMMERUOIW-UHFFFAOYSA-N -1 3 321.336 2.609 20 0 DFADHM [O-]C(=NOC/C=C/Cl)Nc1cc2c(cc1Cl)OCCO2 ZINC000289432050 426656159 /nfs/dbraw/zinc/65/61/59/426656159.db2.gz DWGZPWOMMPCTID-OWOJBTEDSA-N -1 3 319.144 2.917 20 0 DFADHM O=C([N-]OC/C=C/Cl)Nc1cc2c(cc1Cl)OCCO2 ZINC000289432050 426656161 /nfs/dbraw/zinc/65/61/61/426656161.db2.gz DWGZPWOMMPCTID-OWOJBTEDSA-N -1 3 319.144 2.917 20 0 DFADHM COc1cc(C)c(NC([O-])=NOCc2cccnc2)cc1OC ZINC000273429142 426662185 /nfs/dbraw/zinc/66/21/85/426662185.db2.gz OLQHCKYZAIFXRK-UHFFFAOYSA-N -1 3 317.345 2.661 20 0 DFADHM COc1cc(C)c(NC(=O)[N-]OCc2cccnc2)cc1OC ZINC000273429142 426662191 /nfs/dbraw/zinc/66/21/91/426662191.db2.gz OLQHCKYZAIFXRK-UHFFFAOYSA-N -1 3 317.345 2.661 20 0 DFADHM O=C1CCCN1c1ccccc1NC([O-])=NOC/C=C/Cl ZINC000289468733 426666343 /nfs/dbraw/zinc/66/63/43/426666343.db2.gz IXEKTPXLPUIKII-XBXARRHUSA-N -1 3 309.753 2.619 20 0 DFADHM O=C([N-]OC/C=C/Cl)Nc1ccccc1N1CCCC1=O ZINC000289468733 426666348 /nfs/dbraw/zinc/66/63/48/426666348.db2.gz IXEKTPXLPUIKII-XBXARRHUSA-N -1 3 309.753 2.619 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)c1 ZINC000273458783 426667913 /nfs/dbraw/zinc/66/79/13/426667913.db2.gz DIDBISWXVJVLID-STQMWFEESA-N -1 3 315.410 2.618 20 0 DFADHM COC(=O)c1cnc(SCc2noc(-c3ccsc3)n2)[n-]1 ZINC000187591998 426673949 /nfs/dbraw/zinc/67/39/49/426673949.db2.gz WCAWCLOYNIDQRU-UHFFFAOYSA-N -1 3 322.371 2.600 20 0 DFADHM Cc1ccc(-c2nc([C@H]3CN(C(C)C)CCO3)no2)c([O-])c1 ZINC000273496099 426674279 /nfs/dbraw/zinc/67/42/79/426674279.db2.gz XNYNMZXYKXELJD-CQSZACIVSA-N -1 3 303.362 2.532 20 0 DFADHM C[C@@H](CON=C([O-])Nc1ccsc1)NC(=O)OC(C)(C)C ZINC000273506330 426677138 /nfs/dbraw/zinc/67/71/38/426677138.db2.gz ZRXATOHTCAWXNA-VIFPVBQESA-N -1 3 315.395 2.714 20 0 DFADHM C[C@@H](CO[N-]C(=O)Nc1ccsc1)NC(=O)OC(C)(C)C ZINC000273506330 426677142 /nfs/dbraw/zinc/67/71/42/426677142.db2.gz ZRXATOHTCAWXNA-VIFPVBQESA-N -1 3 315.395 2.714 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2csc([C@H]3CCCO3)n2)n1 ZINC000273519703 426677832 /nfs/dbraw/zinc/67/78/32/426677832.db2.gz QHRTUQPTMMGNCE-LLVKDONJSA-N -1 3 305.359 2.656 20 0 DFADHM CN(C(=O)NCc1ccc([O-])c(F)c1)C1Cc2ccccc2C1 ZINC000265743410 426681530 /nfs/dbraw/zinc/68/15/30/426681530.db2.gz DUPPOCHSTUZDOU-UHFFFAOYSA-N -1 3 314.360 2.840 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCSC[C@@H]3C)c[n-]c12 ZINC000178412012 426625004 /nfs/dbraw/zinc/62/50/04/426625004.db2.gz BFOZPDTYQLHUMS-JTQLQIEISA-N -1 3 320.389 2.553 20 0 DFADHM Oc1[n-]c(SCCCOCc2ccccc2)nc2nncc1-2 ZINC000273578592 426691144 /nfs/dbraw/zinc/69/11/44/426691144.db2.gz NPADUQJONNUNKJ-UHFFFAOYSA-N -1 3 316.386 2.758 20 0 DFADHM Cc1ccc(C)c(OCCCCC(=O)[N-]OC[C@@H]2CCOC2)c1 ZINC000187885615 426703273 /nfs/dbraw/zinc/70/32/73/426703273.db2.gz FVMMXILHQQCQQR-MRXNPFEDSA-N -1 3 321.417 2.937 20 0 DFADHM CCCCO[C@@H](C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000265886907 426705682 /nfs/dbraw/zinc/70/56/82/426705682.db2.gz DKVBYICTJNPXGP-NSHDSACASA-N -1 3 309.362 2.713 20 0 DFADHM CC1(C)CCC[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000178894792 426716940 /nfs/dbraw/zinc/71/69/40/426716940.db2.gz PUKBJYFSPMXDRR-AWEZNQCLSA-N -1 3 313.405 2.699 20 0 DFADHM CC1(C)CCC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000178894792 426716944 /nfs/dbraw/zinc/71/69/44/426716944.db2.gz PUKBJYFSPMXDRR-AWEZNQCLSA-N -1 3 313.405 2.699 20 0 DFADHM O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc([O-])c1 ZINC000187822616 426696746 /nfs/dbraw/zinc/69/67/46/426696746.db2.gz POQQARISJICLDF-BXUZGUMPSA-N -1 3 317.307 2.606 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000187842592 426697803 /nfs/dbraw/zinc/69/78/03/426697803.db2.gz RYBYZIQATIQPBY-OAQYLSRUSA-N -1 3 303.383 2.944 20 0 DFADHM CCCN(CCc1cccs1)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000274438386 426769140 /nfs/dbraw/zinc/76/91/40/426769140.db2.gz ROHGVHHHJXMEAD-UHFFFAOYSA-N -1 3 305.403 2.647 20 0 DFADHM C[C@]1(C[N-]S(=O)(=O)c2ccco2)CCCc2ccccc21 ZINC000188808082 426789890 /nfs/dbraw/zinc/78/98/90/426789890.db2.gz FKCBUTSPBSPCRW-MRXNPFEDSA-N -1 3 305.399 2.852 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@H]1C ZINC000179308991 426777981 /nfs/dbraw/zinc/77/79/81/426777981.db2.gz BNFHAOGOUNHCKR-BMIGLBTASA-N -1 3 320.414 2.893 20 0 DFADHM Cc1cccc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)c1[O-] ZINC000188725995 426781618 /nfs/dbraw/zinc/78/16/18/426781618.db2.gz XKGUWRWDEHLULW-GFCCVEGCSA-N -1 3 314.389 2.633 20 0 DFADHM COc1nnc(NC(=O)c2ccc(COc3ccccc3)cc2)[n-]1 ZINC000179371883 426781636 /nfs/dbraw/zinc/78/16/36/426781636.db2.gz WXYFRKROBLVAHA-UHFFFAOYSA-N -1 3 324.340 2.645 20 0 DFADHM COc1nc(NC(=O)c2ccc(COc3ccccc3)cc2)n[n-]1 ZINC000179371883 426781640 /nfs/dbraw/zinc/78/16/40/426781640.db2.gz WXYFRKROBLVAHA-UHFFFAOYSA-N -1 3 324.340 2.645 20 0 DFADHM COc1n[n-]c(NC(=O)c2ccc(COc3ccccc3)cc2)n1 ZINC000179371883 426781643 /nfs/dbraw/zinc/78/16/43/426781643.db2.gz WXYFRKROBLVAHA-UHFFFAOYSA-N -1 3 324.340 2.645 20 0 DFADHM CN1CC[C@@H](NC(=O)c2ccc(F)cc2[O-])[C@H]1c1ccccc1 ZINC000245926188 426782117 /nfs/dbraw/zinc/78/21/17/426782117.db2.gz UFYBJRMCHGOKBC-NVXWUHKLSA-N -1 3 314.360 2.707 20 0 DFADHM COc1nnc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)[n-]1 ZINC000179369667 426782485 /nfs/dbraw/zinc/78/24/85/426782485.db2.gz DRPACYIWZNXFIV-KBPBESRZSA-N -1 3 308.341 2.709 20 0 DFADHM COc1nc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)n[n-]1 ZINC000179369667 426782490 /nfs/dbraw/zinc/78/24/90/426782490.db2.gz DRPACYIWZNXFIV-KBPBESRZSA-N -1 3 308.341 2.709 20 0 DFADHM COc1n[n-]c(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)n1 ZINC000179369667 426782493 /nfs/dbraw/zinc/78/24/93/426782493.db2.gz DRPACYIWZNXFIV-KBPBESRZSA-N -1 3 308.341 2.709 20 0 DFADHM COc1nnc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)[n-]1 ZINC000179369644 426782862 /nfs/dbraw/zinc/78/28/62/426782862.db2.gz DRPACYIWZNXFIV-KGLIPLIRSA-N -1 3 308.341 2.709 20 0 DFADHM COc1nc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)n[n-]1 ZINC000179369644 426782866 /nfs/dbraw/zinc/78/28/66/426782866.db2.gz DRPACYIWZNXFIV-KGLIPLIRSA-N -1 3 308.341 2.709 20 0 DFADHM COc1n[n-]c(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)n1 ZINC000179369644 426782872 /nfs/dbraw/zinc/78/28/72/426782872.db2.gz DRPACYIWZNXFIV-KGLIPLIRSA-N -1 3 308.341 2.709 20 0 DFADHM COC(C)(C)C[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266194211 426723596 /nfs/dbraw/zinc/72/35/96/426723596.db2.gz FQRVAXUKRLBGIO-LLVKDONJSA-N -1 3 302.374 2.874 20 0 DFADHM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)n[nH]1 ZINC000290275318 426730534 /nfs/dbraw/zinc/73/05/34/426730534.db2.gz YLVRTXJXRQBYAJ-JGVFFNPUSA-N -1 3 324.331 2.793 20 0 DFADHM C[C@H]1C[C@H](CC(=O)N2CCc3nc[n-]c(=O)c3C2)CC(C)(C)C1 ZINC000179052844 426742939 /nfs/dbraw/zinc/74/29/39/426742939.db2.gz ZQYQFKOLAKICHH-QWHCGFSZSA-N -1 3 317.433 2.507 20 0 DFADHM CC(C)c1cc(C(=O)NC[C@]2(O)CCOC2)c([O-])c(C(C)C)c1 ZINC000179086611 426748367 /nfs/dbraw/zinc/74/83/67/426748367.db2.gz MJESYHUEBZETLK-GOSISDBHSA-N -1 3 321.417 2.520 20 0 DFADHM CC(C)n1cc(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)cn1 ZINC000266608349 426748815 /nfs/dbraw/zinc/74/88/15/426748815.db2.gz QQMWGKXCVOXZCT-UHFFFAOYSA-N -1 3 319.308 2.682 20 0 DFADHM O=C(CNC(=O)c1cc([O-])ccc1Cl)OC1CCCCC1 ZINC000290422852 426761419 /nfs/dbraw/zinc/76/14/19/426761419.db2.gz QPELIOBZKFPCIR-UHFFFAOYSA-N -1 3 311.765 2.651 20 0 DFADHM CCCCN1CC(=O)N[C@@H]1c1cc([O-])cc(C(F)(F)F)c1 ZINC000290578123 426798089 /nfs/dbraw/zinc/79/80/89/426798089.db2.gz PETZQMKFPPHFOL-ZDUSSCGKSA-N -1 3 302.296 2.642 20 0 DFADHM CN(CCC(=O)OC(C)(C)C)C(=O)c1cc([O-])ccc1Cl ZINC000290587475 426799680 /nfs/dbraw/zinc/79/96/80/426799680.db2.gz UAJZAZDNLZIELT-UHFFFAOYSA-N -1 3 313.781 2.849 20 0 DFADHM Cc1cccc([O-])c1NC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000179554455 426800100 /nfs/dbraw/zinc/80/01/00/426800100.db2.gz AUCNLCNMRWUMLC-JTQLQIEISA-N -1 3 319.386 2.500 20 0 DFADHM CCS[C@@H]1CCC[C@@H](NC(=O)/C=C/c2cncc([O-])c2)C1 ZINC000179536157 426800378 /nfs/dbraw/zinc/80/03/78/426800378.db2.gz OWIAMYPMSGEYGK-ZNTRNPIHSA-N -1 3 306.431 2.981 20 0 DFADHM CCCOCc1ccccc1CNc1nc2nncc-2c(O)[n-]1 ZINC000274642080 426808897 /nfs/dbraw/zinc/80/88/97/426808897.db2.gz FPAHCRBAALWZJX-UHFFFAOYSA-N -1 3 313.361 2.597 20 0 DFADHM C[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)N1CCC[C@@H](C)C1 ZINC000246204294 426809621 /nfs/dbraw/zinc/80/96/21/426809621.db2.gz NCGSDYOCNHVXOZ-GHMZBOCLSA-N -1 3 312.360 2.521 20 0 DFADHM CCNc1nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cs1 ZINC000267055343 426817091 /nfs/dbraw/zinc/81/70/91/426817091.db2.gz KTHOWSWHTOTCIR-UHFFFAOYSA-N -1 3 323.325 2.698 20 0 DFADHM CC[C@@H](C)[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)C(F)(F)F ZINC000282038513 426817291 /nfs/dbraw/zinc/81/72/91/426817291.db2.gz KWJQIGIFJLTDSB-KSBSHMNSSA-N -1 3 318.274 2.804 20 0 DFADHM CC[C@@H](C)[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)C(F)(F)F ZINC000282038513 426817295 /nfs/dbraw/zinc/81/72/95/426817295.db2.gz KWJQIGIFJLTDSB-KSBSHMNSSA-N -1 3 318.274 2.804 20 0 DFADHM CC[C@@H](C)[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(F)(F)F ZINC000282038513 426817301 /nfs/dbraw/zinc/81/73/01/426817301.db2.gz KWJQIGIFJLTDSB-KSBSHMNSSA-N -1 3 318.274 2.804 20 0 DFADHM CC(C)(C)[C@H]1CCCN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000282040148 426817708 /nfs/dbraw/zinc/81/77/08/426817708.db2.gz KWWMXHZAUNURDT-JTQLQIEISA-N -1 3 304.369 2.995 20 0 DFADHM CC(C)(C)[C@H]1CCCN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000282040148 426817713 /nfs/dbraw/zinc/81/77/13/426817713.db2.gz KWWMXHZAUNURDT-JTQLQIEISA-N -1 3 304.369 2.995 20 0 DFADHM CC(C)(C)[C@H]1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000282040148 426817717 /nfs/dbraw/zinc/81/77/17/426817717.db2.gz KWWMXHZAUNURDT-JTQLQIEISA-N -1 3 304.369 2.995 20 0 DFADHM CCSc1cc(CNC(=O)c2ccc(OC)cc2[O-])ccn1 ZINC000189109037 426820123 /nfs/dbraw/zinc/82/01/23/426820123.db2.gz FFTJGCSUEWPWLB-UHFFFAOYSA-N -1 3 318.398 2.838 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])nc1 ZINC000179802095 426820386 /nfs/dbraw/zinc/82/03/86/426820386.db2.gz SVKUTKRUNYYMOQ-UHFFFAOYSA-N -1 3 320.732 2.788 20 0 DFADHM Oc1[n-]c(N2CCC(CCc3ccccc3)CC2)nc2nncc1-2 ZINC000274715069 426824144 /nfs/dbraw/zinc/82/41/44/426824144.db2.gz ZFGVBEHLEFQOTJ-UHFFFAOYSA-N -1 3 323.400 2.908 20 0 DFADHM COC(=O)CCCO[N-]C(=O)Cc1cccc(Cl)c1Cl ZINC000290718571 426825309 /nfs/dbraw/zinc/82/53/09/426825309.db2.gz RRUVTBGZMPJXJO-UHFFFAOYSA-N -1 3 320.172 2.537 20 0 DFADHM COC[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000282099054 426830982 /nfs/dbraw/zinc/83/09/82/426830982.db2.gz XVGBZYUEXOKHGQ-QMMMGPOBSA-N -1 3 312.218 2.554 20 0 DFADHM CC(C)OCc1nc([C@H](C)NCc2cc([O-])cc(F)c2)no1 ZINC000290777880 426837457 /nfs/dbraw/zinc/83/74/57/426837457.db2.gz CSEFRDVTRCCFII-JTQLQIEISA-N -1 3 309.341 2.690 20 0 DFADHM CCCC[C@H](C)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000282171148 426843521 /nfs/dbraw/zinc/84/35/21/426843521.db2.gz NWBWZMZXTJWMSR-APPDUMDISA-N -1 3 317.389 2.506 20 0 DFADHM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000282185291 426848730 /nfs/dbraw/zinc/84/87/30/426848730.db2.gz KACYNBRHIWMFFY-RYUDHWBXSA-N -1 3 301.408 2.641 20 0 DFADHM Cc1ccc(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c([O-])c1C ZINC000267253197 426855333 /nfs/dbraw/zinc/85/53/33/426855333.db2.gz VBUFAFJXJKBWQJ-LBPRGKRZSA-N -1 3 307.390 2.811 20 0 DFADHM CCN(C(=O)c1cnc2c(cnn2C)c1[O-])c1cc(C)cc(C)c1 ZINC000179446921 426790398 /nfs/dbraw/zinc/79/03/98/426790398.db2.gz KWMUSMIBOAFUPD-UHFFFAOYSA-N -1 3 324.384 2.957 20 0 DFADHM CC(=O)Nc1cc(NC(=O)/C=C/c2cncc([O-])c2)ccc1C ZINC000179433323 426790595 /nfs/dbraw/zinc/79/05/95/426790595.db2.gz AHCOJUZEAXPAMX-GQCTYLIASA-N -1 3 311.341 2.706 20 0 DFADHM C[C@@H](Cc1ccccc1F)NC(=O)/C=C/c1cncc([O-])c1 ZINC000179448060 426790770 /nfs/dbraw/zinc/79/07/70/426790770.db2.gz CNUDMXSKYWDLPF-SYTKJHMZSA-N -1 3 300.333 2.687 20 0 DFADHM Cc1ccc(OCCCNC(=O)c2ccc(O)cc2[O-])cc1 ZINC000179469091 426792205 /nfs/dbraw/zinc/79/22/05/426792205.db2.gz CHMFEJIAZJIJAZ-UHFFFAOYSA-N -1 3 301.342 2.605 20 0 DFADHM COc1cc(F)c(NC(=O)/C=C/c2cncc([O-])c2)cc1OC ZINC000179486262 426794481 /nfs/dbraw/zinc/79/44/81/426794481.db2.gz HQYQOVGFCAQZLI-ONEGZZNKSA-N -1 3 318.304 2.595 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCOC1CCCCCC1 ZINC000179507138 426795170 /nfs/dbraw/zinc/79/51/70/426795170.db2.gz VUIKTDCGRCNRHQ-BQYQJAHWSA-N -1 3 304.390 2.656 20 0 DFADHM Cc1ccc(O[C@H](C)C(=O)[N-]c2nncn2-c2ccccc2)cc1 ZINC000181111607 426914926 /nfs/dbraw/zinc/91/49/26/426914926.db2.gz QCDVTYTYQDNSPT-CQSZACIVSA-N -1 3 322.368 2.982 20 0 DFADHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3ncccc3[O-])c2c1 ZINC000181105186 426916138 /nfs/dbraw/zinc/91/61/38/426916138.db2.gz QOXDDPWNJFKLEB-UHFFFAOYSA-N -1 3 313.288 2.741 20 0 DFADHM O=C([O-])c1cnc(NC2CCN(Cc3ccccc3)CC2)s1 ZINC000309570418 426916261 /nfs/dbraw/zinc/91/62/61/426916261.db2.gz KPONSHJHSKRBNV-UHFFFAOYSA-N -1 3 317.414 2.918 20 0 DFADHM COC(=O)c1ccc(C(=O)Nc2cc(C)cc(OC)c2C)[n-]1 ZINC000295346037 426918186 /nfs/dbraw/zinc/91/81/86/426918186.db2.gz MYDGGOZRDAMJHX-UHFFFAOYSA-N -1 3 302.330 2.679 20 0 DFADHM Cc1ccc(OCC(=O)[N-]c2nncn2-c2ccccc2)cc1C ZINC000181125959 426918932 /nfs/dbraw/zinc/91/89/32/426918932.db2.gz QHVONESVFQXJAB-UHFFFAOYSA-N -1 3 322.368 2.902 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CCO)c2)c(C)c1 ZINC000313173788 426922689 /nfs/dbraw/zinc/92/26/89/426922689.db2.gz ZHDNHTZYAXXEBS-UHFFFAOYSA-N -1 3 305.399 2.639 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N3CCO[C@@H]4CCC[C@H]43)c[n-]c12 ZINC000275091528 426859692 /nfs/dbraw/zinc/85/96/92/426859692.db2.gz IFLOFOWTHFNOSC-HUUCEWRRSA-N -1 3 312.369 2.642 20 0 DFADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(-c2nccs2)cc1 ZINC000189456206 426860145 /nfs/dbraw/zinc/86/01/45/426860145.db2.gz UMTRBXOYHUJNFH-NSHDSACASA-N -1 3 319.386 2.900 20 0 DFADHM CC1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)COC1 ZINC000189475420 426863826 /nfs/dbraw/zinc/86/38/26/426863826.db2.gz YOCLNHUXFZYARI-UHFFFAOYSA-N -1 3 311.794 2.558 20 0 DFADHM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000246781508 426864379 /nfs/dbraw/zinc/86/43/79/426864379.db2.gz ZKDQNDNXGTTXLH-BHVCSQLQSA-N -1 3 309.431 2.510 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000282258783 426865181 /nfs/dbraw/zinc/86/51/81/426865181.db2.gz WABADANAYUBYMG-NUEKZKHPSA-N -1 3 303.402 2.856 20 0 DFADHM CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(F)ccc1[O-] ZINC000267299613 426866258 /nfs/dbraw/zinc/86/62/58/426866258.db2.gz CJFMHUHNYHIXQP-AWEZNQCLSA-N -1 3 320.320 2.517 20 0 DFADHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1cc([O-])ccc1Cl ZINC000290937562 426871598 /nfs/dbraw/zinc/87/15/98/426871598.db2.gz PMSAEXJKOYBUQF-UBSPAHDZSA-N -1 3 307.777 2.541 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC[C@@H]1C(F)F ZINC000337613101 426880238 /nfs/dbraw/zinc/88/02/38/426880238.db2.gz ZUQDYERQGQAKPQ-CYBMUJFWSA-N -1 3 306.312 2.788 20 0 DFADHM C[C@@]1(CNC(=O)Cc2ccc([O-])cc2Cl)CCCC[C@@H]1O ZINC000305126599 426881957 /nfs/dbraw/zinc/88/19/57/426881957.db2.gz PCTYLKGSTXGNEK-HOCLYGCPSA-N -1 3 311.809 2.646 20 0 DFADHM COC[C@]1(C(=O)[O-])CCN([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000314179955 426925393 /nfs/dbraw/zinc/92/53/93/426925393.db2.gz LBRAVYQRJUSUFG-BONVTDFDSA-N -1 3 315.772 2.963 20 0 DFADHM CCC1([N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000295281984 426890773 /nfs/dbraw/zinc/89/07/73/426890773.db2.gz MTNRWHALPNDGBC-UHFFFAOYSA-N -1 3 310.238 2.732 20 0 DFADHM COc1ccc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c([O-])c1 ZINC000247049796 426897388 /nfs/dbraw/zinc/89/73/88/426897388.db2.gz UDWQCSXIBZGBJZ-JFIYKMOQSA-N -1 3 309.365 2.717 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(F)(c3ccccn3)CC2)n1 ZINC000295301000 426897918 /nfs/dbraw/zinc/89/79/18/426897918.db2.gz KCKBKEAFASLRMF-CYBMUJFWSA-N -1 3 316.380 2.907 20 0 DFADHM Cc1cc(C(=O)N2CC[C@](F)(c3ccccc3C)C2)[n-]c(=O)n1 ZINC000337645864 426900801 /nfs/dbraw/zinc/90/08/01/426900801.db2.gz HNPDFHRDXHRQOY-QGZVFWFLSA-N -1 3 315.348 2.510 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)[C@@]2(C)CCCNC2=O)c([O-])c1 ZINC000337658237 426904536 /nfs/dbraw/zinc/90/45/36/426904536.db2.gz OQYHOISNKHVRJX-KRWDZBQOSA-N -1 3 304.390 2.545 20 0 DFADHM C[C@H]1CN(Cc2cc(Cl)cc3c2OCC3)CC[C@H]1C(=O)[O-] ZINC000313853221 426926106 /nfs/dbraw/zinc/92/61/06/426926106.db2.gz MRMWYXYRWROZDR-IINYFYTJSA-N -1 3 309.793 2.818 20 0 DFADHM O=C(CCc1ccc2ccccc2c1[O-])NC[C@@H]1CCC[C@H]1O ZINC000295318878 426905681 /nfs/dbraw/zinc/90/56/81/426905681.db2.gz OQCHRAJMXWZRHK-DOTOQJQBSA-N -1 3 313.397 2.755 20 0 DFADHM Cc1noc(CCC(=O)Nc2ccc(C(C)(C)C)cc2[O-])n1 ZINC000337656006 426905753 /nfs/dbraw/zinc/90/57/53/426905753.db2.gz NINPNAXCOZTVEY-UHFFFAOYSA-N -1 3 303.362 2.952 20 0 DFADHM COc1ccc(C(=O)N[C@H]2CCOc3c(F)cccc32)c([O-])c1 ZINC000189634842 426909232 /nfs/dbraw/zinc/90/92/32/426909232.db2.gz MKUXOEXJWOYAJG-AWEZNQCLSA-N -1 3 317.316 2.794 20 0 DFADHM CC(C)C(C)(C)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000275764954 426912754 /nfs/dbraw/zinc/91/27/54/426912754.db2.gz GUEFOOHUUNXICK-UHFFFAOYSA-N -1 3 316.398 2.818 20 0 DFADHM COc1cc(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)ccc1[O-] ZINC000275917720 426947857 /nfs/dbraw/zinc/94/78/57/426947857.db2.gz ABKLPPLHLWLJSO-ZFWWWQNUSA-N -1 3 307.390 2.724 20 0 DFADHM O=C(c1cccc([O-])c1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000181902317 426993887 /nfs/dbraw/zinc/99/38/87/426993887.db2.gz QJWYWDKJTUSMFT-INIZCTEOSA-N -1 3 301.317 2.825 20 0 DFADHM COc1cc(C(=O)N2CC=C(C(F)(F)F)CC2)ccc1[O-] ZINC000275943341 426955451 /nfs/dbraw/zinc/95/54/51/426955451.db2.gz FDTUMZVLUCPDGF-UHFFFAOYSA-N -1 3 301.264 2.735 20 0 DFADHM C[C@H]1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC[S@]1=O ZINC000291704101 426959978 /nfs/dbraw/zinc/95/99/78/426959978.db2.gz ZGPJVEMJBXRNQB-CHNSCGDPSA-N -1 3 321.364 2.754 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(N(C)C(=O)OC)cc1 ZINC000291724725 426964043 /nfs/dbraw/zinc/96/40/43/426964043.db2.gz HRVVRWRGNXUMED-NSHDSACASA-N -1 3 309.366 2.988 20 0 DFADHM CCc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c([O-])c1 ZINC000295456293 426967600 /nfs/dbraw/zinc/96/76/00/426967600.db2.gz WXSMTALMOQXGLF-CYBMUJFWSA-N -1 3 302.418 2.511 20 0 DFADHM Cc1ccc([O-])c(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)c1 ZINC000268265961 426969320 /nfs/dbraw/zinc/96/93/20/426969320.db2.gz AXWYJJAZRJMAGQ-HOCLYGCPSA-N -1 3 313.397 2.985 20 0 DFADHM Cc1ccc([O-])c(C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)c1 ZINC000268265960 426970915 /nfs/dbraw/zinc/97/09/15/426970915.db2.gz AXWYJJAZRJMAGQ-GOEBONIOSA-N -1 3 313.397 2.985 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnnn2C2CCCCC2)n1 ZINC000268291175 426978098 /nfs/dbraw/zinc/97/80/98/426978098.db2.gz BHCPLCORNWBOHF-SNVBAGLBSA-N -1 3 320.422 2.836 20 0 DFADHM C[C@H](CCCO)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000295492662 426980920 /nfs/dbraw/zinc/98/09/20/426980920.db2.gz RUDIVSAYOAVHMR-SECBINFHSA-N -1 3 305.296 2.549 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCc1ccc(OC(F)F)cc1 ZINC000181807455 426984053 /nfs/dbraw/zinc/98/40/53/426984053.db2.gz BCZSDTFZLMQYPB-ZZXKWVIFSA-N -1 3 320.295 2.718 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc(F)cc4[n-]nnc43)C2)C1 ZINC000328639615 426986168 /nfs/dbraw/zinc/98/61/68/426986168.db2.gz CCWLLGSOJFEWSK-QLJPJBMISA-N -1 3 302.353 2.749 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc(F)cc4nn[n-]c43)C2)C1 ZINC000328639615 426986174 /nfs/dbraw/zinc/98/61/74/426986174.db2.gz CCWLLGSOJFEWSK-QLJPJBMISA-N -1 3 302.353 2.749 20 0 DFADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc(F)cc4n[n-]nc43)C2)C1 ZINC000328639615 426986182 /nfs/dbraw/zinc/98/61/82/426986182.db2.gz CCWLLGSOJFEWSK-QLJPJBMISA-N -1 3 302.353 2.749 20 0 DFADHM Cc1cccc(C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)c1[O-] ZINC000268328323 426986800 /nfs/dbraw/zinc/98/68/00/426986800.db2.gz WKZXJDZPOTXRBD-GOEBONIOSA-N -1 3 313.397 2.985 20 0 DFADHM COC[C@@]1(C)CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)C1 ZINC000295513602 426987481 /nfs/dbraw/zinc/98/74/81/426987481.db2.gz QAXQFIZVBBDAFM-SFHVURJKSA-N -1 3 314.385 2.747 20 0 DFADHM CC(=O)Nc1cccc(NC(=O)/C=C/c2cncc([O-])c2)c1C ZINC000181865215 426988858 /nfs/dbraw/zinc/98/88/58/426988858.db2.gz BOAGJCYGUMVYGF-VOTSOKGWSA-N -1 3 311.341 2.706 20 0 DFADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)[N-]c1nncs1 ZINC000268339826 426990436 /nfs/dbraw/zinc/99/04/36/426990436.db2.gz AFQSKYRNICNGJQ-UHFFFAOYSA-N -1 3 323.447 2.908 20 0 DFADHM C[C@H]1CCN(C(=O)Cn2cc(Cl)cn2)c2c([O-])cccc21 ZINC000291801724 426992590 /nfs/dbraw/zinc/99/25/90/426992590.db2.gz ZLDBCPDOHVTBDZ-JTQLQIEISA-N -1 3 305.765 2.783 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2cccnc2)c([O-])c1 ZINC000189995319 426992843 /nfs/dbraw/zinc/99/28/43/426992843.db2.gz FYAZBWGXXGXUKP-UHFFFAOYSA-N -1 3 300.358 2.896 20 0 DFADHM Cc1cccc(C)c1CS(=O)(=O)[N-]c1ccc(N(C)C)cn1 ZINC000295366793 426926741 /nfs/dbraw/zinc/92/67/41/426926741.db2.gz SAHPJIBAMFQQAS-UHFFFAOYSA-N -1 3 319.430 2.706 20 0 DFADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000189713032 426930304 /nfs/dbraw/zinc/93/03/04/426930304.db2.gz UMJAKOQIHBDSMG-LLVKDONJSA-N -1 3 324.352 2.847 20 0 DFADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1ncccc1C(=O)[O-] ZINC000314613232 426930390 /nfs/dbraw/zinc/93/03/90/426930390.db2.gz YWVFVVRAWVEYPD-LLVKDONJSA-N -1 3 302.296 2.943 20 0 DFADHM O=C([N-][C@H]1CCOc2c(Br)cccc21)C(F)F ZINC000282892217 426934012 /nfs/dbraw/zinc/93/40/12/426934012.db2.gz WDXGOXJCKKLDKM-QMMMGPOBSA-N -1 3 306.106 2.654 20 0 DFADHM Cc1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1-c1ncco1 ZINC000189735805 426936642 /nfs/dbraw/zinc/93/66/42/426936642.db2.gz RPMCWXXVRPKROU-LBPRGKRZSA-N -1 3 317.345 2.740 20 0 DFADHM C[C@@H]1C[C@H](NCc2cccc([O-])c2Br)[C@@H](C)O1 ZINC000315640305 426937245 /nfs/dbraw/zinc/93/72/45/426937245.db2.gz VVTUHFJJYCIXMQ-KKZNHRDASA-N -1 3 300.196 2.810 20 0 DFADHM CCn1nc(CN2CCC(C)(C(=O)[O-])CC2)c2ccccc21 ZINC000315674466 426938931 /nfs/dbraw/zinc/93/89/31/426938931.db2.gz AHEYAEPCFCMBGL-UHFFFAOYSA-N -1 3 301.390 2.743 20 0 DFADHM Cc1nc(C(C)C)ccc1CN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000295396642 426940449 /nfs/dbraw/zinc/94/04/49/426940449.db2.gz RLWLZCYIFPCDCT-CQSZACIVSA-N -1 3 316.405 2.569 20 0 DFADHM Cc1nc([C@@H]2CCCN2CCC[N-]C(=O)C(F)(F)F)cs1 ZINC000189757881 426943379 /nfs/dbraw/zinc/94/33/79/426943379.db2.gz ZMMTYEANMHIBFB-NSHDSACASA-N -1 3 321.368 2.657 20 0 DFADHM CN(C[C@@H]1CCCO1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000276396450 427056657 /nfs/dbraw/zinc/05/66/57/427056657.db2.gz GOGCJFQGWOKOOI-JTQLQIEISA-N -1 3 303.280 2.662 20 0 DFADHM CC[C@H](C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)OC ZINC000296048382 427056800 /nfs/dbraw/zinc/05/68/00/427056800.db2.gz MXKHJOLGWRGJFM-MEDUHNTESA-N -1 3 302.374 2.731 20 0 DFADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(C)(C)C ZINC000337958340 427058254 /nfs/dbraw/zinc/05/82/54/427058254.db2.gz CMHCFXCCCTZMNT-CYBMUJFWSA-N -1 3 321.389 2.694 20 0 DFADHM CC(C)(C)CCS(=O)(=O)[N-]Cc1noc(-c2ccccc2)n1 ZINC000337954938 427059800 /nfs/dbraw/zinc/05/98/00/427059800.db2.gz LJMHUHDXMAPOEE-UHFFFAOYSA-N -1 3 323.418 2.592 20 0 DFADHM Cc1cccc(OC[C@@H](C)NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000181916675 426996939 /nfs/dbraw/zinc/99/69/39/426996939.db2.gz JOFLSCMNWSXGPN-PSKZRQQASA-N -1 3 312.369 2.693 20 0 DFADHM CC(C)[C@H](C(=O)Nc1ccc([O-])cc1F)N1C[C@@H](C)O[C@H](C)C1 ZINC000248418443 426999619 /nfs/dbraw/zinc/99/96/19/426999619.db2.gz SRPVWTKBLDSBIM-XHBSWPGZSA-N -1 3 324.396 2.604 20 0 DFADHM Cc1nc([C@@H]2CCCN2C(=O)c2ccc3n[n-]nc3c2)cs1 ZINC000190016483 426999681 /nfs/dbraw/zinc/99/96/81/426999681.db2.gz HSDNTZKWSNARAL-AWEZNQCLSA-N -1 3 313.386 2.700 20 0 DFADHM CCCN(CCc1ccccn1)C(=O)/C=C/c1cncc([O-])c1 ZINC000181941761 426999781 /nfs/dbraw/zinc/99/97/81/426999781.db2.gz VWKFRHCSVYMSDF-VOTSOKGWSA-N -1 3 311.385 2.677 20 0 DFADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc(C)cc1)[C@@H](O)C(F)F ZINC000295551654 427004046 /nfs/dbraw/zinc/00/40/46/427004046.db2.gz TZMVGMCVOLZVOP-WDEREUQCSA-N -1 3 307.287 2.608 20 0 DFADHM CCc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)c([O-])c1 ZINC000276227491 427013391 /nfs/dbraw/zinc/01/33/91/427013391.db2.gz MWGLRHVBEYHURR-DOTOQJQBSA-N -1 3 312.369 2.610 20 0 DFADHM CCc1nn(C)c(CC)c1CC(=O)Nc1ccc([O-])cc1F ZINC000190082816 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/nfs/dbraw/zinc/08/74/31/427087431.db2.gz QEJCMARCVMGQCK-UHFFFAOYSA-N -1 3 311.385 2.618 20 0 DFADHM COC(=O)[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C[C@H]1C ZINC000276521527 427090251 /nfs/dbraw/zinc/09/02/51/427090251.db2.gz CFIFZVVXUXBWMA-OCCSQVGLSA-N -1 3 319.401 2.787 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)CCC(F)(F)F)c1nc(C)cs1 ZINC000283881647 427092745 /nfs/dbraw/zinc/09/27/45/427092745.db2.gz NSICTWRGWHWQIO-QMMMGPOBSA-N -1 3 316.370 2.774 20 0 DFADHM Cc1cc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)n(C)n1 ZINC000283902953 427094684 /nfs/dbraw/zinc/09/46/84/427094684.db2.gz DCZQXFNMAVMILL-UHFFFAOYSA-N -1 3 313.735 2.790 20 0 DFADHM C[C@@H]1CC[C@H](CC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)C1 ZINC000329361505 427098067 /nfs/dbraw/zinc/09/80/67/427098067.db2.gz HCFAFLSWXTWAHC-ZHRONYKTSA-N -1 3 321.421 2.837 20 0 DFADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc2c(c1[O-])CCCC2 ZINC000249204887 427098131 /nfs/dbraw/zinc/09/81/31/427098131.db2.gz RPBCVIPXROTNPN-IMJJTQAJSA-N -1 3 301.386 2.568 20 0 DFADHM CC1(C)C(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)C1(C)C ZINC000329370572 427100864 /nfs/dbraw/zinc/10/08/64/427100864.db2.gz JUSDFKXAQLPEKG-QGHHPUGFSA-N -1 3 321.421 2.693 20 0 DFADHM CCc1cc(C(=O)Nc2ccc(N(C)CCO)cc2)ccc1[O-] ZINC000292145985 427107391 /nfs/dbraw/zinc/10/73/91/427107391.db2.gz MHJLCUTVUIDWJT-UHFFFAOYSA-N -1 3 314.385 2.635 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC(Nc2nccs2)CC1 ZINC000190438082 427109541 /nfs/dbraw/zinc/10/95/41/427109541.db2.gz UPIQMAGCBVNRLF-UHFFFAOYSA-N -1 3 303.387 2.565 20 0 DFADHM Cc1cc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)ccc1[O-] ZINC000292158879 427111908 /nfs/dbraw/zinc/11/19/08/427111908.db2.gz KITLDSWKZNVIIJ-ZDUSSCGKSA-N -1 3 305.765 2.638 20 0 DFADHM CC(C)(O)c1nnc([N-]Cc2ccc(CSC(F)F)o2)o1 ZINC000284003397 427115821 /nfs/dbraw/zinc/11/58/21/427115821.db2.gz QHYFEUGTTGGZRT-UHFFFAOYSA-N -1 3 319.333 2.958 20 0 DFADHM CCOCCC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000276783833 427118573 /nfs/dbraw/zinc/11/85/73/427118573.db2.gz NOLGBTWPBPCOIL-UHFFFAOYSA-N -1 3 300.318 2.583 20 0 DFADHM CCOCCC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000276783833 427118581 /nfs/dbraw/zinc/11/85/81/427118581.db2.gz NOLGBTWPBPCOIL-UHFFFAOYSA-N -1 3 300.318 2.583 20 0 DFADHM CCOCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000276783833 427118585 /nfs/dbraw/zinc/11/85/85/427118585.db2.gz NOLGBTWPBPCOIL-UHFFFAOYSA-N -1 3 300.318 2.583 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C[C@@H](O)CC(C)(C)C)c([O-])c1 ZINC000292199590 427129832 /nfs/dbraw/zinc/12/98/32/427129832.db2.gz PFQNALJQSWIGBG-GFCCVEGCSA-N -1 3 323.389 2.695 20 0 DFADHM CC(C)(CNCc1ccc(F)cc1Br)C(=O)[O-] ZINC000276965169 427129917 /nfs/dbraw/zinc/12/99/17/427129917.db2.gz GDUGIVIADFQYQA-UHFFFAOYSA-N -1 3 304.159 2.789 20 0 DFADHM C[C@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(F)cc1F ZINC000182673206 427122548 /nfs/dbraw/zinc/12/25/48/427122548.db2.gz BZISVIXIUKMQPZ-QMMMGPOBSA-N -1 3 302.284 2.727 20 0 DFADHM C[C@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(F)cc1F ZINC000182673206 427122550 /nfs/dbraw/zinc/12/25/50/427122550.db2.gz BZISVIXIUKMQPZ-QMMMGPOBSA-N -1 3 302.284 2.727 20 0 DFADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(F)cc1F ZINC000182673206 427122554 /nfs/dbraw/zinc/12/25/54/427122554.db2.gz BZISVIXIUKMQPZ-QMMMGPOBSA-N -1 3 302.284 2.727 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccncc1F ZINC000337967160 427064094 /nfs/dbraw/zinc/06/40/94/427064094.db2.gz VQJMVVGMHMZIPW-QMMMGPOBSA-N -1 3 316.304 2.538 20 0 DFADHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(Cl)c(F)c1 ZINC000277257872 427140749 /nfs/dbraw/zinc/14/07/49/427140749.db2.gz KKLUTLQQBKMVNV-AWEZNQCLSA-N -1 3 314.788 2.508 20 0 DFADHM Cc1ccc([O-])c(C(=O)NCCCCNC(=O)OC(C)(C)C)c1 ZINC000182792434 427146155 /nfs/dbraw/zinc/14/61/55/427146155.db2.gz BZOHACBZSZQDNU-UHFFFAOYSA-N -1 3 322.405 2.735 20 0 DFADHM COc1cc(CN(C(=O)c2cccc([O-])c2)C2CC2)ccc1O ZINC000182835472 427153556 /nfs/dbraw/zinc/15/35/56/427153556.db2.gz VGBMYFIDSPSQQC-UHFFFAOYSA-N -1 3 313.353 2.911 20 0 DFADHM CCc1nc([C@@H](C)NC(=O)c2cc(F)cc3nn[n-]c32)cs1 ZINC000277295091 427153793 /nfs/dbraw/zinc/15/37/93/427153793.db2.gz APRCOOXLBZNTAQ-SSDOTTSWSA-N -1 3 319.365 2.607 20 0 DFADHM CCc1nc([C@@H](C)NC(=O)c2cc(F)cc3[n-]nnc32)cs1 ZINC000277295091 427153801 /nfs/dbraw/zinc/15/38/01/427153801.db2.gz APRCOOXLBZNTAQ-SSDOTTSWSA-N -1 3 319.365 2.607 20 0 DFADHM CCc1nc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cs1 ZINC000277295091 427153812 /nfs/dbraw/zinc/15/38/12/427153812.db2.gz APRCOOXLBZNTAQ-SSDOTTSWSA-N -1 3 319.365 2.607 20 0 DFADHM CN(C)CCN(Cc1ccco1)C(=O)c1ccc(Cl)cc1[O-] ZINC000121163473 271024162 /nfs/dbraw/zinc/02/41/62/271024162.db2.gz QGHUUZCPCFOGDD-UHFFFAOYSA-N -1 3 322.792 2.843 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)c1[O-] ZINC000155654029 271054502 /nfs/dbraw/zinc/05/45/02/271054502.db2.gz IKRFMHLSTKEJED-ZDUSSCGKSA-N -1 3 322.368 2.772 20 0 DFADHM Cc1cccc(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)c1[O-] ZINC000155654123 271055580 /nfs/dbraw/zinc/05/55/80/271055580.db2.gz IKRFMHLSTKEJED-CYBMUJFWSA-N -1 3 322.368 2.772 20 0 DFADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(-c2ncco2)c1 ZINC000156235850 271058866 /nfs/dbraw/zinc/05/88/66/271058866.db2.gz KXPFCCRSJCPXII-ZDUSSCGKSA-N -1 3 303.318 2.921 20 0 DFADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(-c2ncco2)c1 ZINC000156235850 271058870 /nfs/dbraw/zinc/05/88/70/271058870.db2.gz KXPFCCRSJCPXII-ZDUSSCGKSA-N -1 3 303.318 2.921 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)CCc3ccccc3)[n-]c21 ZINC000157799953 271070253 /nfs/dbraw/zinc/07/02/53/271070253.db2.gz YQWHFXGVCXAYTI-UHFFFAOYSA-N -1 3 323.352 2.921 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ccccc3)nc21 ZINC000157799953 271070257 /nfs/dbraw/zinc/07/02/57/271070257.db2.gz YQWHFXGVCXAYTI-UHFFFAOYSA-N -1 3 323.352 2.921 20 0 DFADHM COc1ccc(N(C)C(=O)c2ccc(C)cc2[O-])c(OC)c1 ZINC000157967083 271072367 /nfs/dbraw/zinc/07/23/67/271072367.db2.gz ANASFXJTJBGANS-UHFFFAOYSA-N -1 3 301.342 2.994 20 0 DFADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(Cl)c1F ZINC000296368916 427161964 /nfs/dbraw/zinc/16/19/64/427161964.db2.gz OEUHREIMJWLTQT-UHFFFAOYSA-N -1 3 318.732 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[O-]c1cccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)c1Cl ZINC000293347035 427295175 /nfs/dbraw/zinc/29/51/75/427295175.db2.gz STFFPJBKIUNPSP-GOEBONIOSA-N -1 3 321.804 2.620 20 0 DFADHM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc([O-])cc2F)n[nH]1 ZINC000277735640 427298876 /nfs/dbraw/zinc/29/88/76/427298876.db2.gz GQBATFLINNVZDH-DTWKUNHWSA-N -1 3 306.341 2.654 20 0 DFADHM C[C@@H]1[C@@H](C)CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000297258773 427375912 /nfs/dbraw/zinc/37/59/12/427375912.db2.gz JVCWGMHHPHIBAQ-DTWKUNHWSA-N -1 3 313.195 2.705 20 0 DFADHM CCCCCNC(=O)Cc1noc(-c2cc(C)ccc2[O-])n1 ZINC000277989163 427379140 /nfs/dbraw/zinc/37/91/40/427379140.db2.gz SCVVHEGKGLIQBK-UHFFFAOYSA-N -1 3 303.362 2.600 20 0 DFADHM CC(C)CO[C@H](C)c1noc(C[S@](=O)c2cccc([O-])c2)n1 ZINC000184038201 427379751 /nfs/dbraw/zinc/37/97/51/427379751.db2.gz IEYKJJSVRDAGCF-XFNZEKPQSA-N -1 3 324.402 2.817 20 0 DFADHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000278008114 427384034 /nfs/dbraw/zinc/38/40/34/427384034.db2.gz 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/nfs/dbraw/zinc/39/97/71/427399771.db2.gz HZRRJUZLTWQSQH-AAEUAGOBSA-N -1 3 311.451 2.674 20 0 DFADHM CCN(CC)c1ncc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)s1 ZINC000263053280 427404641 /nfs/dbraw/zinc/40/46/41/427404641.db2.gz LFFIBWVWCGTZPE-NWDGAFQWSA-N -1 3 311.451 2.532 20 0 DFADHM C[C@H](CO[N-]C(=O)CCc1ccccc1)NC(=O)OC(C)(C)C ZINC000271103138 427404845 /nfs/dbraw/zinc/40/48/45/427404845.db2.gz KQTHPEHCWGOYJM-CYBMUJFWSA-N -1 3 322.405 2.580 20 0 DFADHM CCOc1cc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1OC ZINC000263076425 427408109 /nfs/dbraw/zinc/40/81/09/427408109.db2.gz QPVZFWANWGKIHS-OCCSQVGLSA-N -1 3 307.390 2.637 20 0 DFADHM C[C@H](CON=C([O-])Nc1ccccc1)NC(=O)OC(C)(C)C ZINC000271132535 427414472 /nfs/dbraw/zinc/41/44/72/427414472.db2.gz QLENBMCEKLIECF-LLVKDONJSA-N -1 3 309.366 2.653 20 0 DFADHM C[C@H](CO[N-]C(=O)Nc1ccccc1)NC(=O)OC(C)(C)C ZINC000271132535 427414486 /nfs/dbraw/zinc/41/44/86/427414486.db2.gz QLENBMCEKLIECF-LLVKDONJSA-N -1 3 309.366 2.653 20 0 DFADHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(N(C)C)cn2)cc1F ZINC000184198169 427415380 /nfs/dbraw/zinc/41/53/80/427415380.db2.gz JVYLSROFTJZLDL-UHFFFAOYSA-N -1 3 323.393 2.537 20 0 DFADHM Cc1ncc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)c(N)n1 ZINC000278138297 427416250 /nfs/dbraw/zinc/41/62/50/427416250.db2.gz KXLADNINOWKUAH-UHFFFAOYSA-N -1 3 323.356 2.669 20 0 DFADHM CCC[C@]1(CO)CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000278145175 427417473 /nfs/dbraw/zinc/41/74/73/427417473.db2.gz NXBJNLWLFHFRGD-GOSISDBHSA-N -1 3 314.385 2.708 20 0 DFADHM CC(C)c1nnc2n1C[C@@H](NCc1cccc([O-])c1Cl)CC2 ZINC000293540795 427357366 /nfs/dbraw/zinc/35/73/66/427357366.db2.gz KETFOODWSABULO-LBPRGKRZSA-N -1 3 320.824 2.865 20 0 DFADHM COC[C@H]1CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000293918959 427487813 /nfs/dbraw/zinc/48/78/13/427487813.db2.gz MZLPNNNGTABPGW-MRXNPFEDSA-N -1 3 311.381 2.844 20 0 DFADHM Cc1ccc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)c([O-])c1C ZINC000271213541 427452713 /nfs/dbraw/zinc/45/27/13/427452713.db2.gz MMVFNJCTIGEGSW-CQSZACIVSA-N -1 3 324.380 2.865 20 0 DFADHM Cc1cc(COCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)on1 ZINC000331603010 427454465 /nfs/dbraw/zinc/45/44/65/427454465.db2.gz YXGBGBMGUBWOML-LLVKDONJSA-N -1 3 316.357 2.746 20 0 DFADHM Cc1cc(C)c(C(=O)CCCC(=O)[N-]OCC(C)(C)O)c(C)c1 ZINC000278797992 427455421 /nfs/dbraw/zinc/45/54/21/427455421.db2.gz ZAICMTCHSVSYKH-UHFFFAOYSA-N -1 3 321.417 2.784 20 0 DFADHM Cc1cc(C[C@@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)[nH]n1 ZINC000331639437 427464897 /nfs/dbraw/zinc/46/48/97/427464897.db2.gz IGWLCYSGXKUDNY-LLVKDONJSA-N -1 3 313.401 2.664 20 0 DFADHM CC(C)c1cc(C(=O)N[C@H]2CC(=O)N(C)C2)c([O-])c(C(C)C)c1 ZINC000338757487 427472497 /nfs/dbraw/zinc/47/24/97/427472497.db2.gz XKAQOJAFGSBUMD-ZDUSSCGKSA-N -1 3 318.417 2.600 20 0 DFADHM CCc1nccn1[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263376448 427473437 /nfs/dbraw/zinc/47/34/37/427473437.db2.gz BYIZMNLTRUNSOP-INIZCTEOSA-N -1 3 313.401 2.981 20 0 DFADHM CCCNC(=O)C1(NCc2cccc(C(=O)[O-])c2)CCCCC1 ZINC000263404408 427482097 /nfs/dbraw/zinc/48/20/97/427482097.db2.gz JFFZQPBSRHPEJQ-UHFFFAOYSA-N -1 3 318.417 2.704 20 0 DFADHM CCOc1cc2nccc(N[C@H](C)C(=O)[O-])c2cc1OCC ZINC000263445481 427488844 /nfs/dbraw/zinc/48/88/44/427488844.db2.gz YMJWKHNYFHZWAA-SNVBAGLBSA-N -1 3 304.346 2.917 20 0 DFADHM C[C@H]1CCC[C@H](NC(=O)NCc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000331488259 427424825 /nfs/dbraw/zinc/42/48/25/427424825.db2.gz KIDYBEWMYTZFRF-IUCAKERBSA-N -1 3 319.331 2.592 20 0 DFADHM C[C@H]1CCC[C@H](NC(=O)NCc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000331488259 427424830 /nfs/dbraw/zinc/42/48/30/427424830.db2.gz KIDYBEWMYTZFRF-IUCAKERBSA-N -1 3 319.331 2.592 20 0 DFADHM C[C@H]1CCC[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000331488259 427424837 /nfs/dbraw/zinc/42/48/37/427424837.db2.gz KIDYBEWMYTZFRF-IUCAKERBSA-N -1 3 319.331 2.592 20 0 DFADHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000331515359 427429145 /nfs/dbraw/zinc/42/91/45/427429145.db2.gz PLVPETVYEQDGHX-SECBINFHSA-N -1 3 322.352 2.957 20 0 DFADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1occc1C ZINC000184277004 427429220 /nfs/dbraw/zinc/42/92/20/427429220.db2.gz AANCTQUDJPDGJU-UHFFFAOYSA-N -1 3 320.370 2.891 20 0 DFADHM COc1cc(Br)cc(NC(=O)[N-]OCC2CC2)c1 ZINC000297691408 427430294 /nfs/dbraw/zinc/43/02/94/427430294.db2.gz HNJCLGUASWCVHK-UHFFFAOYSA-N -1 3 315.167 2.921 20 0 DFADHM Cc1nc([N-]C(=O)c2cc(C(F)(F)F)ccc2F)nn1C ZINC000293775731 427431687 /nfs/dbraw/zinc/43/16/87/427431687.db2.gz VQHHYGWLEDAFMU-UHFFFAOYSA-N -1 3 302.231 2.534 20 0 DFADHM CNC(=O)CC[C@H]1CCCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000286140131 427434675 /nfs/dbraw/zinc/43/46/75/427434675.db2.gz DVRNGHULOXDAFP-CQSZACIVSA-N -1 3 318.417 2.530 20 0 DFADHM C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263194830 427435937 /nfs/dbraw/zinc/43/59/37/427435937.db2.gz WHGQNHMWNNLHBN-QXSJWSMHSA-N -1 3 324.465 2.647 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCOCC3(C)C)c[n-]c12 ZINC000286144304 427437039 /nfs/dbraw/zinc/43/70/39/427437039.db2.gz XSNVNRNVUXHJQF-UHFFFAOYSA-N -1 3 318.348 2.639 20 0 DFADHM CCN(CC)[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000191880739 427438857 /nfs/dbraw/zinc/43/88/57/427438857.db2.gz SEGXSVIMHAPXFJ-JTQLQIEISA-N -1 3 324.899 2.719 20 0 DFADHM Cc1c(NC([O-])=NOCC(C)(C)O)cccc1C(F)(F)F ZINC000278491566 427441836 /nfs/dbraw/zinc/44/18/36/427441836.db2.gz BFMUBJGSDIVCHJ-UHFFFAOYSA-N -1 3 306.284 2.838 20 0 DFADHM Cc1c(NC(=O)[N-]OCC(C)(C)O)cccc1C(F)(F)F ZINC000278491566 427441841 /nfs/dbraw/zinc/44/18/41/427441841.db2.gz BFMUBJGSDIVCHJ-UHFFFAOYSA-N -1 3 306.284 2.838 20 0 DFADHM CCC1(CC)Oc2ccc(NC([O-])=NOC(C)(C)CO)cc2O1 ZINC000297752506 427445017 /nfs/dbraw/zinc/44/50/17/427445017.db2.gz KKOONRZLEAWNIA-UHFFFAOYSA-N -1 3 324.377 2.798 20 0 DFADHM CCC1(CC)Oc2ccc(NC(=O)[N-]OC(C)(C)CO)cc2O1 ZINC000297752506 427445027 /nfs/dbraw/zinc/44/50/27/427445027.db2.gz KKOONRZLEAWNIA-UHFFFAOYSA-N -1 3 324.377 2.798 20 0 DFADHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2F)cs1 ZINC000341205650 271793435 /nfs/dbraw/zinc/79/34/35/271793435.db2.gz GPBKQDFJPSLIAU-QMMMGPOBSA-N -1 3 300.380 2.630 20 0 DFADHM C[C@H](CN(C)Cc1cnn(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000263494512 427500854 /nfs/dbraw/zinc/50/08/54/427500854.db2.gz JIXPBMHUZZZOPW-LLVKDONJSA-N -1 3 307.781 2.678 20 0 DFADHM Cc1ccc(-c2nnc(NC(=O)CCc3scnc3C)[n-]2)o1 ZINC000298011027 427503306 /nfs/dbraw/zinc/50/33/06/427503306.db2.gz BBPRUDOULKLVJG-UHFFFAOYSA-N -1 3 317.374 2.709 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3scnc3C)n2)o1 ZINC000298011027 427503310 /nfs/dbraw/zinc/50/33/10/427503310.db2.gz BBPRUDOULKLVJG-UHFFFAOYSA-N -1 3 317.374 2.709 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)CCc3scnc3C)n[n-]2)o1 ZINC000298011027 427503313 /nfs/dbraw/zinc/50/33/13/427503313.db2.gz BBPRUDOULKLVJG-UHFFFAOYSA-N -1 3 317.374 2.709 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCO[C@H](C)C3)c[n-]c12 ZINC000271351918 427504464 /nfs/dbraw/zinc/50/44/64/427504464.db2.gz PRYVVCAQSXNRFW-PWSUYJOCSA-N -1 3 318.348 2.685 20 0 DFADHM COc1cc(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)ccc1[O-] ZINC000287225029 427554861 /nfs/dbraw/zinc/55/48/61/427554861.db2.gz IVKKPCYYIOSIHT-OCCSQVGLSA-N -1 3 307.390 2.557 20 0 DFADHM Cc1noc([C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)n1 ZINC000332095200 427510891 /nfs/dbraw/zinc/51/08/91/427510891.db2.gz XBNPNSHCQLFTCZ-CYBMUJFWSA-N -1 3 315.373 2.837 20 0 DFADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(-c2nncs2)cc1 ZINC000298049659 427511202 /nfs/dbraw/zinc/51/12/02/427511202.db2.gz ILMVGYBPOUYHAN-GFCCVEGCSA-N -1 3 320.374 2.785 20 0 DFADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(-c2nncs2)cc1 ZINC000298049659 427511212 /nfs/dbraw/zinc/51/12/12/427511212.db2.gz ILMVGYBPOUYHAN-GFCCVEGCSA-N -1 3 320.374 2.785 20 0 DFADHM CN(Cc1cccn1C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000332094871 427511418 /nfs/dbraw/zinc/51/14/18/427511418.db2.gz CQTTZESJQKPTIJ-UHFFFAOYSA-N -1 3 314.385 2.716 20 0 DFADHM C[C@H](CN(C)Cc1ccc(OCC(F)(F)F)c(F)c1)C(=O)[O-] ZINC000263537243 427514949 /nfs/dbraw/zinc/51/49/49/427514949.db2.gz ZZMGIJJSEMFXSZ-SECBINFHSA-N -1 3 323.286 2.919 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)c([O-])c1C ZINC000271377639 427515003 /nfs/dbraw/zinc/51/50/03/427515003.db2.gz JTTZXOICTSATAU-UHFFFAOYSA-N -1 3 324.380 2.889 20 0 DFADHM O=C(CCNC(=O)c1cc([O-])ccc1Cl)NC1CCCCC1 ZINC000278964560 427515844 /nfs/dbraw/zinc/51/58/44/427515844.db2.gz XASUUTBVKFUSLW-UHFFFAOYSA-N -1 3 324.808 2.614 20 0 DFADHM COCc1ccccc1C[N-]S(=O)(=O)c1sccc1F ZINC000338857683 427525791 /nfs/dbraw/zinc/52/57/91/427525791.db2.gz LPSXFVIHXBIJSG-UHFFFAOYSA-N -1 3 315.391 2.512 20 0 DFADHM CN(CCCN(C)C(=O)c1ccc(F)cc1[O-])Cc1ccco1 ZINC000286439250 427529303 /nfs/dbraw/zinc/52/93/03/427529303.db2.gz GWACQFFZPXHBPC-UHFFFAOYSA-N -1 3 320.364 2.718 20 0 DFADHM CC(C)C[C@H]1CCCCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000332236404 427555572 /nfs/dbraw/zinc/55/55/72/427555572.db2.gz RQNFFMBQSPIWPY-CYBMUJFWSA-N -1 3 320.437 2.679 20 0 DFADHM CCOC(=O)C[C@H]([N-]C(=O)C(C)(F)F)c1ccc(F)cc1 ZINC000294045221 427532062 /nfs/dbraw/zinc/53/20/62/427532062.db2.gz IZJYLLZUJRTNSB-NSHDSACASA-N -1 3 303.280 2.591 20 0 DFADHM CCCC[C@@H](CC)CNC(=O)c1c[n-]c2ccncc2c1=O ZINC000341537080 271840444 /nfs/dbraw/zinc/84/04/44/271840444.db2.gz SJWGRKYWWRRFAL-GFCCVEGCSA-N -1 3 301.390 2.869 20 0 DFADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2sccc2F)n1 ZINC000338885344 427538373 /nfs/dbraw/zinc/53/83/73/427538373.db2.gz GECNFAPOQZOFJF-SSDOTTSWSA-N -1 3 306.409 2.692 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1sccc1F)c1ccncc1 ZINC000338911784 427555891 /nfs/dbraw/zinc/55/58/91/427555891.db2.gz NEHGFMITMCBBDV-NSHDSACASA-N -1 3 300.380 2.712 20 0 DFADHM Cc1nnc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)s1 ZINC000332216958 427548258 /nfs/dbraw/zinc/54/82/58/427548258.db2.gz KXGFNSSJRJULSE-UHFFFAOYSA-N -1 3 305.359 2.518 20 0 DFADHM Cc1cc([N-]C(=O)COc2ccc(C(=O)OC(C)C)cc2)on1 ZINC000192472802 427548794 /nfs/dbraw/zinc/54/87/94/427548794.db2.gz ZTFGOVFLZCMCKX-UHFFFAOYSA-N -1 3 318.329 2.566 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(Cl)cn2)c1 ZINC000338906254 427550313 /nfs/dbraw/zinc/55/03/13/427550313.db2.gz 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427921088 /nfs/dbraw/zinc/92/10/88/427921088.db2.gz KWPBOALPUMOVLS-CQSZACIVSA-N -1 3 320.414 2.528 20 0 DFADHM O=S(=O)([N-]Cc1cc2ccccc2s1)c1ccccn1 ZINC000340081900 427921439 /nfs/dbraw/zinc/92/14/39/427921439.db2.gz VHXNDAOXSZRTOR-UHFFFAOYSA-N -1 3 304.396 2.775 20 0 DFADHM Cc1ccc([O-])c(NC(=O)c2cnn(Cc3ccccc3)c2)n1 ZINC000345928567 427955546 /nfs/dbraw/zinc/95/55/46/427955546.db2.gz NXXNNDDXCBVDNP-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM CC[C@@H](C)n1nc([N-]S(=O)(=O)N2CCC(C)CC2)cc1C ZINC000340942073 427960963 /nfs/dbraw/zinc/96/09/63/427960963.db2.gz RPPUHNDLRKVUEJ-GFCCVEGCSA-N -1 3 314.455 2.551 20 0 DFADHM C[C@@H](NC(=O)Cc1noc(-c2ccccc2[O-])n1)c1ccccc1 ZINC000350683233 427965123 /nfs/dbraw/zinc/96/51/23/427965123.db2.gz BURIOQWLOVGWIW-GFCCVEGCSA-N -1 3 323.352 2.862 20 0 DFADHM CN(C(=O)c1cc(F)cc2[n-]nnc21)c1ccc2cc[nH]c2c1 ZINC000337576212 427965927 /nfs/dbraw/zinc/96/59/27/427965927.db2.gz WWBAHYGQCKRYDX-UHFFFAOYSA-N -1 3 309.304 2.855 20 0 DFADHM 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C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C1CCCCC1 ZINC000357238915 428451144 /nfs/dbraw/zinc/45/11/44/428451144.db2.gz YYZROKVLLCBVJH-LBPRGKRZSA-N -1 3 324.446 2.757 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)o1 ZINC000360844718 428460323 /nfs/dbraw/zinc/46/03/23/428460323.db2.gz GPFZXQOOSQIVMS-LSDHHAIUSA-N -1 3 321.398 2.787 20 0 DFADHM COc1cc(CN[C@@H](C)C(F)F)cc(Br)c1[O-] ZINC000389931906 428468140 /nfs/dbraw/zinc/46/81/40/428468140.db2.gz DBHMGZOGVORVOP-LURJTMIESA-N -1 3 310.138 2.907 20 0 DFADHM O=S(=O)([N-]C[C@H]1CC=CCC1)c1cc(F)c(F)c(F)c1 ZINC000360730729 428420067 /nfs/dbraw/zinc/42/00/67/428420067.db2.gz ZQBMBLWXZLKOEG-VIFPVBQESA-N -1 3 305.321 2.739 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H]1c1ncc[nH]1 ZINC000378520208 428420362 /nfs/dbraw/zinc/42/03/62/428420362.db2.gz WEQLWPAEISEEAV-CYBMUJFWSA-N -1 3 305.765 2.675 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC(COc2ccccn2)CC1 ZINC000378569248 428427930 /nfs/dbraw/zinc/42/79/30/428427930.db2.gz 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/nfs/dbraw/zinc/12/69/93/429126993.db2.gz OSUQLKKOBRNUTE-NSHDSACASA-N -1 3 305.403 2.539 20 0 DFADHM CC(C)=CCC[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000452555161 429127402 /nfs/dbraw/zinc/12/74/02/429127402.db2.gz YJAMRXGGQLQNDN-CYBMUJFWSA-N -1 3 324.446 2.923 20 0 DFADHM C[C@H]1C[C@@H]([N-]c2nnc(C(F)F)s2)C(=O)N1c1ccccc1 ZINC000376527969 429130269 /nfs/dbraw/zinc/13/02/69/429130269.db2.gz SYRUSLREOQGTDE-WCBMZHEXSA-N -1 3 324.356 3.082 20 0 DFADHM [O-]C(=NOCc1ccc(F)cc1)Nc1cnc2c(c1)COCC2 ZINC000363868217 429132396 /nfs/dbraw/zinc/13/23/96/429132396.db2.gz MWUIJEKHCQRUCC-UHFFFAOYSA-N -1 3 317.320 2.547 20 0 DFADHM O=C([N-]OCc1ccc(F)cc1)Nc1cnc2c(c1)COCC2 ZINC000363868217 429132399 /nfs/dbraw/zinc/13/23/99/429132399.db2.gz MWUIJEKHCQRUCC-UHFFFAOYSA-N -1 3 317.320 2.547 20 0 DFADHM C[C@@H]1CCCN(Cc2nc3ccc(Cl)cc3n2C)[C@H]1C(=O)[O-] ZINC000424419310 429137695 /nfs/dbraw/zinc/13/76/95/429137695.db2.gz OCWCEEPSRMFFEF-MEBBXXQBSA-N -1 3 321.808 2.912 20 0 DFADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1nccn1-c1ccccc1 ZINC000424615727 429163378 /nfs/dbraw/zinc/16/33/78/429163378.db2.gz FDYLELPMHDTAFR-CZUORRHYSA-N -1 3 301.390 2.707 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@H]1c1ccco1 ZINC000435929580 429172119 /nfs/dbraw/zinc/17/21/19/429172119.db2.gz SUMSDMQYWAHWSI-LBPRGKRZSA-N -1 3 300.293 2.667 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@H]1c1ccco1 ZINC000435929580 429172121 /nfs/dbraw/zinc/17/21/21/429172121.db2.gz SUMSDMQYWAHWSI-LBPRGKRZSA-N -1 3 300.293 2.667 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@H]1c1ccco1 ZINC000435929580 429172124 /nfs/dbraw/zinc/17/21/24/429172124.db2.gz SUMSDMQYWAHWSI-LBPRGKRZSA-N -1 3 300.293 2.667 20 0 DFADHM O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1nc[n-]n1 ZINC000435935888 429172661 /nfs/dbraw/zinc/17/26/61/429172661.db2.gz KUXPPEOZRATLBR-UHFFFAOYSA-N -1 3 312.304 2.775 20 0 DFADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)[n-]c(=O)n1 ZINC000435970931 429173530 /nfs/dbraw/zinc/17/35/30/429173530.db2.gz NHUXUFATUBZDEX-JKSUJKDBSA-N -1 3 319.364 2.930 20 0 DFADHM COc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000364525202 429218683 /nfs/dbraw/zinc/21/86/83/429218683.db2.gz UNABTYMZXJEYAS-DHZHZOJOSA-N -1 3 321.340 2.527 20 0 DFADHM COc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000364525202 429218688 /nfs/dbraw/zinc/21/86/88/429218688.db2.gz UNABTYMZXJEYAS-DHZHZOJOSA-N -1 3 321.340 2.527 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cc(C3CCCC3)[nH]n2)c1[O-] ZINC000436525245 429200986 /nfs/dbraw/zinc/20/09/86/429200986.db2.gz AFQHMPWCSIPVDC-UHFFFAOYSA-N -1 3 315.373 3.342 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2cc(C3CCCC3)[nH]n2)cc1[O-] ZINC000436650491 429201449 /nfs/dbraw/zinc/20/14/49/429201449.db2.gz RNKFLIRIKMEFFQ-UHFFFAOYSA-N -1 3 313.357 3.228 20 0 DFADHM CC[C@@H](C)n1nc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1C ZINC000436692452 429202489 /nfs/dbraw/zinc/20/24/89/429202489.db2.gz YFSJRXLONNMGLP-LLVKDONJSA-N -1 3 317.389 3.437 20 0 DFADHM CC(C)(C)OC(=O)N1CCC[C@](C)(C[N-]C(=O)C(F)(F)F)C1 ZINC000495889646 429286855 /nfs/dbraw/zinc/28/68/55/429286855.db2.gz DRDJLRSIBOIPEA-CYBMUJFWSA-N -1 3 324.343 2.702 20 0 DFADHM Cc1ccc(C(=O)NC2(C(=O)N(C)C)CCCCC2)c([O-])c1C ZINC000456078422 429238487 /nfs/dbraw/zinc/23/84/87/429238487.db2.gz BHTGRJZMZWNZMG-UHFFFAOYSA-N -1 3 318.417 2.530 20 0 DFADHM CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442926959 429240928 /nfs/dbraw/zinc/24/09/28/429240928.db2.gz XYIJPSFKODWYJY-LDYMZIIASA-N -1 3 305.252 2.654 20 0 DFADHM C[C@H](CNC(=O)OC(C)(C)C)C(=O)[N-]OC1CCCCC1 ZINC000495692589 429247887 /nfs/dbraw/zinc/24/78/87/429247887.db2.gz WTHFLUAAZAJNNB-LLVKDONJSA-N -1 3 300.399 2.528 20 0 DFADHM CCc1cc(C(=O)N[C@@H](C(C)C)[C@H](CO)C(C)C)ccc1[O-] ZINC000456148802 429248807 /nfs/dbraw/zinc/24/88/07/429248807.db2.gz MOVAQMZNNDRHEM-WBVHZDCISA-N -1 3 307.434 2.974 20 0 DFADHM CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000495771213 429262561 /nfs/dbraw/zinc/26/25/61/429262561.db2.gz SLVGWIPUWASOGR-ZDUSSCGKSA-N -1 3 320.389 2.522 20 0 DFADHM CC[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)[C@@H](C)O ZINC000456255705 429266162 /nfs/dbraw/zinc/26/61/62/429266162.db2.gz PDYPSUZXAIQOTK-APPZFPTMSA-N -1 3 313.810 2.681 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H]3C[C@H]3C(C)C)c[n-]c12 ZINC000456300625 429271993 /nfs/dbraw/zinc/27/19/93/429271993.db2.gz PSEMMTOKYWGNOM-AAEUAGOBSA-N -1 3 316.376 2.998 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccco1 ZINC000445717146 429289345 /nfs/dbraw/zinc/28/93/45/429289345.db2.gz ZZLUXBYNYIIRTB-KCJUWKMLSA-N -1 3 315.753 2.907 20 0 DFADHM CN(C)[C@H]1CCc2cc(NC(=O)C(=O)c3ccc([O-])cc3)ccc21 ZINC000456330537 429277998 /nfs/dbraw/zinc/27/79/98/429277998.db2.gz SPDJIQJSAXAMSX-KRWDZBQOSA-N -1 3 324.380 2.763 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](C)[C@H](OC)C3CC3)ccc2[n-]1 ZINC000456537137 429321303 /nfs/dbraw/zinc/32/13/03/429321303.db2.gz AVSLEIQQUFOXDP-BMIGLBTASA-N -1 3 317.389 2.505 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](C)[C@H](OC)C3CC3)cc2[n-]1 ZINC000456537137 429321306 /nfs/dbraw/zinc/32/13/06/429321306.db2.gz AVSLEIQQUFOXDP-BMIGLBTASA-N -1 3 317.389 2.505 20 0 DFADHM CCOC(=O)Nc1scnc1C(=O)Nc1ccccc1[O-] ZINC000497232835 429321515 /nfs/dbraw/zinc/32/15/15/429321515.db2.gz NKUPCZHAECUWOP-UHFFFAOYSA-N -1 3 307.331 2.669 20 0 DFADHM Cc1ccc(NC(=O)C2(N(C)C)Cc3ccccc3C2)c([O-])c1 ZINC000365501249 429330149 /nfs/dbraw/zinc/33/01/49/429330149.db2.gz PXEQQOPOYUYLGQ-UHFFFAOYSA-N -1 3 310.397 2.738 20 0 DFADHM CC[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)[C@@H](O)CC ZINC000456663908 429336218 /nfs/dbraw/zinc/33/62/18/429336218.db2.gz LFGOQOIDCCZSQF-NEPJUHHUSA-N -1 3 305.296 2.690 20 0 DFADHM O=C(NC[C@H]1C[C@]12CCCc1ccccc12)c1csc(=O)[n-]1 ZINC000365559774 429342598 /nfs/dbraw/zinc/34/25/98/429342598.db2.gz JGCCVKQQLWOITJ-SJKOYZFVSA-N -1 3 314.410 2.873 20 0 DFADHM [O-]c1ccc(Br)c(CN2CC([C@@H]3CCOC3)C2)c1 ZINC000365563230 429342629 /nfs/dbraw/zinc/34/26/29/429342629.db2.gz SPILRZAXHABNEX-SNVBAGLBSA-N -1 3 312.207 2.623 20 0 DFADHM Cc1nscc1C(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000448491518 429312426 /nfs/dbraw/zinc/31/24/26/429312426.db2.gz HYKHJNYSYZIKIY-UHFFFAOYSA-N -1 3 303.318 3.498 20 0 DFADHM Cc1cc(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)ns1 ZINC000448539144 429313455 /nfs/dbraw/zinc/31/34/55/429313455.db2.gz RZQNKSSHFPONDR-UHFFFAOYSA-N -1 3 303.318 3.498 20 0 DFADHM CCc1cc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)ccc1[O-] ZINC000365871373 429391540 /nfs/dbraw/zinc/39/15/40/429391540.db2.gz BAUNBMYXWFSJQD-MRXNPFEDSA-N -1 3 313.401 2.937 20 0 DFADHM CCc1cc(C(=O)Nc2c[nH]nc2-c2ccccn2)ccc1[O-] ZINC000365877895 429393557 /nfs/dbraw/zinc/39/35/57/429393557.db2.gz JYXJZNPJFJVUSR-UHFFFAOYSA-N -1 3 308.341 2.992 20 0 DFADHM COC(=O)c1ccc(-c2nc(-c3ccc(F)cc3C)no2)[n-]1 ZINC000426454467 429393772 /nfs/dbraw/zinc/39/37/72/429393772.db2.gz PSSDKJSUXTTWGK-UHFFFAOYSA-N -1 3 301.277 2.966 20 0 DFADHM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1ccccc1Cl ZINC000426665696 429407944 /nfs/dbraw/zinc/40/79/44/429407944.db2.gz XZZSURURSGVIKW-OAHLLOKOSA-N -1 3 305.761 2.831 20 0 DFADHM CC(C)CC(CC(C)C)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000507440215 429350730 /nfs/dbraw/zinc/35/07/30/429350730.db2.gz HGVAECUKCWLUEF-UHFFFAOYSA-N -1 3 302.415 2.960 20 0 DFADHM COc1cccnc1CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000456908893 429363353 /nfs/dbraw/zinc/36/33/53/429363353.db2.gz RHRJBMCSLYQSHV-UHFFFAOYSA-N -1 3 312.369 2.605 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2ccc(Cl)s2)[n-]1 ZINC000491508607 429367115 /nfs/dbraw/zinc/36/71/15/429367115.db2.gz YIVILGYGLPUXEJ-HYXAFXHYSA-N -1 3 300.796 2.893 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2ccc(Cl)s2)n1 ZINC000491508607 429367121 /nfs/dbraw/zinc/36/71/21/429367121.db2.gz YIVILGYGLPUXEJ-HYXAFXHYSA-N -1 3 300.796 2.893 20 0 DFADHM CSc1nc(NC(=O)C=Cc2ccc(Cl)s2)n[n-]1 ZINC000491508607 429367125 /nfs/dbraw/zinc/36/71/25/429367125.db2.gz YIVILGYGLPUXEJ-HYXAFXHYSA-N -1 3 300.796 2.893 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2ccc(Cl)s2)[n-]1 ZINC000491508606 429367346 /nfs/dbraw/zinc/36/73/46/429367346.db2.gz YIVILGYGLPUXEJ-HWKANZROSA-N -1 3 300.796 2.893 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2ccc(Cl)s2)n1 ZINC000491508606 429367348 /nfs/dbraw/zinc/36/73/48/429367348.db2.gz YIVILGYGLPUXEJ-HWKANZROSA-N -1 3 300.796 2.893 20 0 DFADHM CSc1nc(NC(=O)C=Cc2ccc(Cl)s2)n[n-]1 ZINC000491508606 429367351 /nfs/dbraw/zinc/36/73/51/429367351.db2.gz YIVILGYGLPUXEJ-HWKANZROSA-N -1 3 300.796 2.893 20 0 DFADHM CCSc1cccnc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000449261963 429369465 /nfs/dbraw/zinc/36/94/65/429369465.db2.gz FYPBLICTWOQRGT-UHFFFAOYSA-N -1 3 317.296 2.583 20 0 DFADHM CCSc1cccnc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000449261963 429369469 /nfs/dbraw/zinc/36/94/69/429369469.db2.gz FYPBLICTWOQRGT-UHFFFAOYSA-N -1 3 317.296 2.583 20 0 DFADHM Cc1ccc(C(=O)N2CCN[C@H](c3ccccc3)C2)c([O-])c1C ZINC000457011871 429378966 /nfs/dbraw/zinc/37/89/66/429378966.db2.gz GENWNCOVKPAGHT-KRWDZBQOSA-N -1 3 310.397 2.796 20 0 DFADHM CC(C)COC1CCN(CCOc2cccc(C(=O)[O-])c2)CC1 ZINC000518990608 429442775 /nfs/dbraw/zinc/44/27/75/429442775.db2.gz LKDCRGVLVPESTR-UHFFFAOYSA-N -1 3 321.417 2.901 20 0 DFADHM Cn1cc(/C=C\C(=O)NCc2ncccc2[O-])c2ccccc21 ZINC000492019949 429453101 /nfs/dbraw/zinc/45/31/01/429453101.db2.gz PGGUPMKCWXOGTH-HJWRWDBZSA-N -1 3 307.353 2.609 20 0 DFADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2c[n-]c3ccncc3c2=O)o1 ZINC000519341348 429455209 /nfs/dbraw/zinc/45/52/09/429455209.db2.gz QEQSASSVXQLTGD-JQWIXIFHSA-N -1 3 323.352 2.570 20 0 DFADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1(F)F ZINC000427654723 429463374 /nfs/dbraw/zinc/46/33/74/429463374.db2.gz OQLOFHVHIXPEJO-SNVBAGLBSA-N -1 3 306.312 2.645 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000366522334 429468728 /nfs/dbraw/zinc/46/87/28/429468728.db2.gz RCFUHOJDDXPBSA-OKMWKSJFSA-N -1 3 324.380 2.837 20 0 DFADHM Cc1cccc([C@H](NCc2ccc3c(c2)nnn3C)C(=O)[O-])c1C ZINC000426730957 429411614 /nfs/dbraw/zinc/41/16/14/429411614.db2.gz NCKSRFQMVAHPOH-KRWDZBQOSA-N -1 3 324.384 2.501 20 0 DFADHM Cc1cc(C)n([C@H]2CCCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)n1 ZINC000366081499 429414423 /nfs/dbraw/zinc/41/44/23/429414423.db2.gz 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/nfs/dbraw/zinc/52/71/20/429527120.db2.gz CXYWZEPUGRASOQ-SREVYHEPSA-N -1 3 324.380 2.657 20 0 DFADHM CCOc1nc2ccc(C(=O)Nc3cc(CC)nn3C)cc2[n-]1 ZINC000449877907 429529924 /nfs/dbraw/zinc/52/99/24/429529924.db2.gz UTBZRAZJNJFUMJ-UHFFFAOYSA-N -1 3 313.361 2.510 20 0 DFADHM CCOc1nc2cc(C(=O)Nc3cc(CC)nn3C)ccc2[n-]1 ZINC000449877907 429529927 /nfs/dbraw/zinc/52/99/27/429529927.db2.gz UTBZRAZJNJFUMJ-UHFFFAOYSA-N -1 3 313.361 2.510 20 0 DFADHM O=S(=O)([N-]C[C@@H](c1ccccc1)C1CC1)c1ccccn1 ZINC000519680913 429477348 /nfs/dbraw/zinc/47/73/48/429477348.db2.gz RLPKJXUCCJVSDA-HNNXBMFYSA-N -1 3 302.399 2.554 20 0 DFADHM CCCCCc1nnc([N-]C(=O)c2cnn3c2OCCC3)s1 ZINC000366581410 429480530 /nfs/dbraw/zinc/48/05/30/429480530.db2.gz MPRSEARPNOMFJD-UHFFFAOYSA-N -1 3 321.406 2.502 20 0 DFADHM CCN1C[C@@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H](C)C1 ZINC000519706509 429481114 /nfs/dbraw/zinc/48/11/14/429481114.db2.gz LYBXHAHFPYRDFI-OKILXGFUSA-N -1 3 322.424 2.795 20 0 DFADHM 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Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CCCC(=O)[O-] ZINC000430665964 429707640 /nfs/dbraw/zinc/70/76/40/429707640.db2.gz RZCLIBMMEDCVFP-LLVKDONJSA-N -1 3 312.797 2.772 20 0 DFADHM CC(C)C[C@H](NC(=O)CN(C)CCCC(=O)[O-])c1ccccc1 ZINC000430660845 429707702 /nfs/dbraw/zinc/70/77/02/429707702.db2.gz OKQBYLXGSOCWEL-INIZCTEOSA-N -1 3 320.433 2.687 20 0 DFADHM CCC[C@@H](NC(=O)[C@H](C)N(C)CCCC(=O)[O-])c1ccccc1 ZINC000430675231 429708299 /nfs/dbraw/zinc/70/82/99/429708299.db2.gz DSCUTYDOAPSQIM-GOEBONIOSA-N -1 3 320.433 2.829 20 0 DFADHM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1csc(=O)[n-]1 ZINC000526929996 429709209 /nfs/dbraw/zinc/70/92/09/429709209.db2.gz CFPYMRGCVKSRFN-CHWSQXEVSA-N -1 3 302.399 2.990 20 0 DFADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)CCCC(=O)[O-] ZINC000430677457 429709237 /nfs/dbraw/zinc/70/92/37/429709237.db2.gz JVGIJJBPMJZVLR-LLVKDONJSA-N -1 3 312.797 2.772 20 0 DFADHM COCCOc1cccc(/C=C/C(=O)[N-]OC/C=C\Cl)c1 ZINC000493234966 429718111 /nfs/dbraw/zinc/71/81/11/429718111.db2.gz 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313.401 2.911 20 0 DFADHM Cc1ccc2c(CSC[C@H]3CN(C)CCO3)ccc([O-])c2n1 ZINC000571402796 430625434 /nfs/dbraw/zinc/62/54/34/430625434.db2.gz FPNUCAISBSAEMS-CQSZACIVSA-N -1 3 318.442 2.813 20 0 DFADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc2occc2s1 ZINC000643823762 430633761 /nfs/dbraw/zinc/63/37/61/430633761.db2.gz AZBTYWFLKCLUPD-UHFFFAOYSA-N -1 3 318.745 3.443 20 0 DFADHM CC[C@@H](CC(F)(F)F)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571533865 430635863 /nfs/dbraw/zinc/63/58/63/430635863.db2.gz CGFIHMJCGLVOIT-QMMMGPOBSA-N -1 3 303.284 2.520 20 0 DFADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@H](O)[C@H](C)C2)c1C ZINC000571565470 430636423 /nfs/dbraw/zinc/63/64/23/430636423.db2.gz ITAMABAKXBJYKG-ABAIWWIYSA-N -1 3 314.385 2.757 20 0 DFADHM COc1cc2c(cc1CN1CCC[C@H](C)[C@H]1C(=O)[O-])O[C@H](C)C2 ZINC000571551361 430637350 /nfs/dbraw/zinc/63/73/50/430637350.db2.gz JAYGJMLAIDCPGW-JKDFXYPNSA-N -1 3 319.401 2.704 20 0 DFADHM COc1ccc(CNC(C)(C)CC(=O)[O-])c(Br)c1 ZINC000571578585 430638380 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ZINC000654978068 430855052 /nfs/dbraw/zinc/85/50/52/430855052.db2.gz PLSJGZGOQRUDPF-UHFFFAOYSA-N -1 3 315.160 2.691 20 0 DFADHM COc1nnc(NC(=O)CCc2c(Cl)cccc2Cl)[n-]1 ZINC000654978068 430855054 /nfs/dbraw/zinc/85/50/54/430855054.db2.gz PLSJGZGOQRUDPF-UHFFFAOYSA-N -1 3 315.160 2.691 20 0 DFADHM COc1n[n-]c(NC(=O)CCc2c(Cl)cccc2Cl)n1 ZINC000654978068 430855058 /nfs/dbraw/zinc/85/50/58/430855058.db2.gz PLSJGZGOQRUDPF-UHFFFAOYSA-N -1 3 315.160 2.691 20 0 DFADHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1ccc(Cl)c(F)c1 ZINC000651731996 430860983 /nfs/dbraw/zinc/86/09/83/430860983.db2.gz FXGQFKVTFDDWFP-JTQLQIEISA-N -1 3 321.801 2.574 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CCCC[C@H]2C2CCC2)c(=O)[n-]1 ZINC000648704914 430863460 /nfs/dbraw/zinc/86/34/60/430863460.db2.gz VFVTWRKYBPCOHG-INIZCTEOSA-N -1 3 317.433 2.913 20 0 DFADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)CS1 ZINC000651740187 430865636 /nfs/dbraw/zinc/86/56/36/430865636.db2.gz TXJBOSHJHPXLNJ-HTQZYQBOSA-N -1 3 309.815 2.651 20 0 DFADHM Cc1nc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c(C)o1 ZINC000644930450 430869529 /nfs/dbraw/zinc/86/95/29/430869529.db2.gz XEGKGJRWVZOAKC-UHFFFAOYSA-N -1 3 314.370 2.986 20 0 DFADHM O=C([C@@H]1CCC[C@@H]1c1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000655027366 430872572 /nfs/dbraw/zinc/87/25/72/430872572.db2.gz YSMCEOYCAKYUOX-HUUCEWRRSA-N -1 3 323.396 2.651 20 0 DFADHM Cc1cc(C(=O)Nc2ccccc2[O-])ccc1N1CCOCC1 ZINC000648743951 430877272 /nfs/dbraw/zinc/87/72/72/430877272.db2.gz BOFMTMQRWYKFNF-UHFFFAOYSA-N -1 3 312.369 2.790 20 0 DFADHM COc1cc(C(=O)N2CCC[C@H](OC3CCC3)C2)ccc1[O-] ZINC000655281024 430949157 /nfs/dbraw/zinc/94/91/57/430949157.db2.gz CEQKXHZAADXYEF-AWEZNQCLSA-N -1 3 305.374 2.575 20 0 DFADHM Cn1nc2c(c1C(=O)Nc1c([O-])cccc1Cl)CCCC2 ZINC000655110320 430898575 /nfs/dbraw/zinc/89/85/75/430898575.db2.gz IWBLDMZCVRXSHJ-UHFFFAOYSA-N -1 3 305.765 2.910 20 0 DFADHM CC(C)C[C@H](CNCc1nccn1CC(F)(F)F)CC(=O)[O-] ZINC000665351859 430905861 /nfs/dbraw/zinc/90/58/61/430905861.db2.gz PIYMDYVOTDLBFE-NSHDSACASA-N -1 3 321.343 2.672 20 0 DFADHM O=C([O-])C1(CNCc2c(F)cccc2N2CCCC2)CCC1 ZINC000665354419 430905909 /nfs/dbraw/zinc/90/59/09/430905909.db2.gz LWDQVNNVGZNYOM-UHFFFAOYSA-N -1 3 306.381 2.770 20 0 DFADHM Cn1c(CNCC2(C(=O)[O-])CCC2)nc2cc(Cl)ccc21 ZINC000665354605 430906441 /nfs/dbraw/zinc/90/64/41/430906441.db2.gz UCZIOPBVYYIVLX-UHFFFAOYSA-N -1 3 307.781 2.571 20 0 DFADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCc2ncncc2C1 ZINC000648841136 430911928 /nfs/dbraw/zinc/91/19/28/430911928.db2.gz CRXZRPNCIMEOLN-VIFPVBQESA-N -1 3 303.749 2.579 20 0 DFADHM Cn1ccnc1[C@@H]1C[C@H](NCc2cccc([O-])c2Cl)CCO1 ZINC000648870641 430918935 /nfs/dbraw/zinc/91/89/35/430918935.db2.gz WMDBAHOOXXCMBY-OCCSQVGLSA-N -1 3 321.808 2.789 20 0 DFADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc([O-])c1Cl ZINC000645162545 430920412 /nfs/dbraw/zinc/92/04/12/430920412.db2.gz IDYKUVATRKAXRE-BXUZGUMPSA-N -1 3 322.836 2.782 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H]2CN(C)Cc3ccccc32)cc1[O-] ZINC000665393619 430921388 /nfs/dbraw/zinc/92/13/88/430921388.db2.gz 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O=C([O-])C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000662200547 430995945 /nfs/dbraw/zinc/99/59/45/430995945.db2.gz KBLKTRVTSNAVTM-AWEZNQCLSA-N -1 3 311.385 2.830 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1[O-] ZINC000655409338 430996233 /nfs/dbraw/zinc/99/62/33/430996233.db2.gz RGNUBYPHSSKGIE-DLBZAZTESA-N -1 3 317.385 2.672 20 0 DFADHM O=c1cc(CN2CCC[C@H](C3CCCCC3)C2)nc2cc[n-]n21 ZINC000662201587 430996252 /nfs/dbraw/zinc/99/62/52/430996252.db2.gz NMGRBWBTKKTMJM-HNNXBMFYSA-N -1 3 314.433 2.815 20 0 DFADHM CC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCCCO1 ZINC000655411829 430996922 /nfs/dbraw/zinc/99/69/22/430996922.db2.gz NRVSHWTZVJQSAH-GOEBONIOSA-N -1 3 314.385 2.606 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cccc(F)c1OC(F)F ZINC000662214442 430999876 /nfs/dbraw/zinc/99/98/76/430999876.db2.gz MPHHMYMNYQOOEO-LDYMZIIASA-N -1 3 303.280 2.865 20 0 DFADHM C[C@@H]1CN(CCSc2ccc(F)cc2F)C[C@H]1C(=O)[O-] ZINC000662210677 431000213 /nfs/dbraw/zinc/00/02/13/431000213.db2.gz 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CN(C[C@H]1CCCO1)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000652386911 431038564 /nfs/dbraw/zinc/03/85/64/431038564.db2.gz RUOLYRLCRUXWQO-MFKMUULPSA-N -1 3 317.307 2.942 20 0 DFADHM CC(=O)Nc1cc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)ccc1C ZINC000649232671 431038555 /nfs/dbraw/zinc/03/85/55/431038555.db2.gz LCZPGRHAFLEURS-UHFFFAOYSA-N -1 3 314.389 2.783 20 0 DFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc(-c2ccncc2)on1 ZINC000649232937 431038615 /nfs/dbraw/zinc/03/86/15/431038615.db2.gz WRDQMWZCIIPPGX-UHFFFAOYSA-N -1 3 311.345 2.566 20 0 DFADHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(OC)c1F ZINC000655534618 431039343 /nfs/dbraw/zinc/03/93/43/431039343.db2.gz MTTVEZPJDKKQQT-GHMZBOCLSA-N -1 3 301.383 2.691 20 0 DFADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cnccc1C ZINC000645637878 431039652 /nfs/dbraw/zinc/03/96/52/431039652.db2.gz ADVLGBFLTRYVNO-LLVKDONJSA-N -1 3 324.377 2.577 20 0 DFADHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(OC)c1F ZINC000655534621 431040395 /nfs/dbraw/zinc/04/03/95/431040395.db2.gz 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/nfs/dbraw/zinc/00/93/93/297009393.db2.gz BRUZIMHZNIHJEE-UHFFFAOYSA-N -1 3 306.312 2.984 20 0 DFADHM COc1cccc(OCCCNC(=O)c2cc(C)ccc2[O-])c1 ZINC000436525355 297009415 /nfs/dbraw/zinc/00/94/15/297009415.db2.gz BDTYYRSCIYWIEH-UHFFFAOYSA-N -1 3 315.369 2.908 20 0 DFADHM Cc1cccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1[O-] ZINC000436525964 297009479 /nfs/dbraw/zinc/00/94/79/297009479.db2.gz HSAYCFDUXTWWST-UHFFFAOYSA-N -1 3 304.733 2.705 20 0 DFADHM Cc1cccc(C(=O)NCc2ccnc(OC3CCC3)c2)c1[O-] ZINC000436530563 297009490 /nfs/dbraw/zinc/00/94/90/297009490.db2.gz BCXWMFKFPSPUKC-UHFFFAOYSA-N -1 3 312.369 2.957 20 0 DFADHM CCC1(O)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436525422 297009508 /nfs/dbraw/zinc/00/95/08/297009508.db2.gz NSTRMWNLZLVDOS-UHFFFAOYSA-N -1 3 311.381 2.580 20 0 DFADHM CC(=O)c1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1[O-] ZINC000436525389 297009572 /nfs/dbraw/zinc/00/95/72/297009572.db2.gz NJDUERDFRAJSTP-UHFFFAOYSA-N -1 3 310.353 2.795 20 0 DFADHM CN(CCOc1ccccc1Cl)C(=O)c1ccc(O)cc1[O-] ZINC000436533241 297010172 /nfs/dbraw/zinc/01/01/72/297010172.db2.gz XTJUFUSVLJAHKG-UHFFFAOYSA-N -1 3 321.760 2.902 20 0 DFADHM COC(=O)[C@H](NC(=O)c1ccc(C)c(C)c1[O-])c1cccs1 ZINC000436535823 297010249 /nfs/dbraw/zinc/01/02/49/297010249.db2.gz TVXCXLYZQVKQGT-CYBMUJFWSA-N -1 3 319.382 2.715 20 0 DFADHM COc1ccc(C(=O)NCCCc2cccc(F)c2)c([O-])c1 ZINC000436544629 297011226 /nfs/dbraw/zinc/01/12/26/297011226.db2.gz LOWPDNPXRVLRHV-UHFFFAOYSA-N -1 3 303.333 2.903 20 0 DFADHM Cc1ccc(C(=O)NCCC(=O)N2CCCCCC2)c([O-])c1C ZINC000436545643 297011269 /nfs/dbraw/zinc/01/12/69/297011269.db2.gz SBHMVZPFFDYSNC-UHFFFAOYSA-N -1 3 318.417 2.532 20 0 DFADHM CN(C(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000436547322 297011682 /nfs/dbraw/zinc/01/16/82/297011682.db2.gz JTJCPNGXCDKCDL-MRXNPFEDSA-N -1 3 310.397 2.854 20 0 DFADHM Cc1ccc(C(=O)NCc2cn3c(cccc3C)n2)c([O-])c1C ZINC000436548494 297011842 /nfs/dbraw/zinc/01/18/42/297011842.db2.gz URFSYFCMVXYVHO-UHFFFAOYSA-N -1 3 309.369 2.895 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cccc([S@@](C)=O)c2)c1[O-] ZINC000436557860 297012273 /nfs/dbraw/zinc/01/22/73/297012273.db2.gz VWDWHWMZNXCOTA-JOCHJYFZSA-N -1 3 319.382 2.699 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N[C@@H]3CCCSC3)c([O-])c2O1 ZINC000436570520 297013152 /nfs/dbraw/zinc/01/31/52/297013152.db2.gz ABWWHMRWXXCJFF-LLVKDONJSA-N -1 3 307.415 2.731 20 0 DFADHM CCN(CCNC(=O)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000436566938 297013376 /nfs/dbraw/zinc/01/33/76/297013376.db2.gz NHUXGTBLGAQDSU-UHFFFAOYSA-N -1 3 317.216 2.913 20 0 DFADHM COc1ccc(O[C@@H](C)CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436573229 297013577 /nfs/dbraw/zinc/01/35/77/297013577.db2.gz HWIYIKQMGWGIDW-ZDUSSCGKSA-N -1 3 315.369 2.907 20 0 DFADHM CCc1ccc([C@@H](COC)NC(=O)c2ccc(C)cc2[O-])o1 ZINC000436591497 297015966 /nfs/dbraw/zinc/01/59/66/297015966.db2.gz QKLIWJLEOOCOKT-CQSZACIVSA-N -1 3 303.358 2.974 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@H]2COCC[C@@H]21 ZINC000436585546 297015170 /nfs/dbraw/zinc/01/51/70/297015170.db2.gz JXKOJNHYOOJZGU-RDJZCZTQSA-N -1 3 315.413 2.912 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H]2COCC[C@H]21 ZINC000436585542 297015420 /nfs/dbraw/zinc/01/54/20/297015420.db2.gz JXKOJNHYOOJZGU-NVXWUHKLSA-N -1 3 315.413 2.912 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([O-])c1C ZINC000436586222 297015500 /nfs/dbraw/zinc/01/55/00/297015500.db2.gz AVKZJAIOCYHUKG-IMJJTQAJSA-N -1 3 303.402 2.942 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436589733 297015559 /nfs/dbraw/zinc/01/55/59/297015559.db2.gz QKASIOZKCPMEHA-ZMZPIMSZSA-N -1 3 321.417 2.633 20 0 DFADHM Cc1ccc(C(=O)NCc2nccn2CC(C)C)c([O-])c1C ZINC000436588176 297015776 /nfs/dbraw/zinc/01/57/76/297015776.db2.gz HSLCPMGEGJEGEX-UHFFFAOYSA-N -1 3 301.390 2.792 20 0 DFADHM COc1ccc(C(=O)NCc2ccc(OC)c(Cl)c2)c([O-])c1 ZINC000436595121 297016106 /nfs/dbraw/zinc/01/61/06/297016106.db2.gz HSVKMLZTJSNTSZ-UHFFFAOYSA-N -1 3 321.760 2.993 20 0 DFADHM COCCN(C(=O)c1cc(OC)ccc1[O-])[C@H]1CC[C@@H](C)C1 ZINC000436593609 297016450 /nfs/dbraw/zinc/01/64/50/297016450.db2.gz FNIMBBGDSGZHOE-OLZOCXBDSA-N -1 3 307.390 2.678 20 0 DFADHM CCC(C)(C)CCN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436595703 297016863 /nfs/dbraw/zinc/01/68/63/297016863.db2.gz MPUQSRQOLKSKIO-UHFFFAOYSA-N -1 3 304.434 2.976 20 0 DFADHM COCCN(C[C@H]1CC=CCC1)C(=O)c1cc(OC)ccc1[O-] ZINC000436600531 297017332 /nfs/dbraw/zinc/01/73/32/297017332.db2.gz GMZROTHLBIIXCU-AWEZNQCLSA-N -1 3 319.401 2.846 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)c([O-])c1C ZINC000436603730 297017422 /nfs/dbraw/zinc/01/74/22/297017422.db2.gz MTZDKDJMSYMJDL-CABCVRRESA-N -1 3 303.402 2.898 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCOC3)C2)c([O-])c1C ZINC000436603732 297017426 /nfs/dbraw/zinc/01/74/26/297017426.db2.gz MTZDKDJMSYMJDL-GJZGRUSLSA-N -1 3 303.402 2.898 20 0 DFADHM CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccccc1[O-] ZINC000436611268 297018068 /nfs/dbraw/zinc/01/80/68/297018068.db2.gz ZOVAAHYDXSBHKF-LBPRGKRZSA-N -1 3 307.390 2.975 20 0 DFADHM COCCN(C[C@H]1CC=CCC1)C(=O)c1ccc(O)cc1[O-] ZINC000436610483 297018118 /nfs/dbraw/zinc/01/81/18/297018118.db2.gz YHMORJMSROTPPF-ZDUSSCGKSA-N -1 3 305.374 2.543 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000436622815 297018618 /nfs/dbraw/zinc/01/86/18/297018618.db2.gz FKLNPNQLIZFUBG-UHFFFAOYSA-N -1 3 323.352 2.664 20 0 DFADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000436622478 297018771 /nfs/dbraw/zinc/01/87/71/297018771.db2.gz DFOZFNSLFZJASZ-PSVSLLHZSA-N -1 3 313.353 2.781 20 0 DFADHM COc1cc(C(=O)NC[C@@H](OC)c2ccccc2)ccc1[O-] ZINC000436634514 297019599 /nfs/dbraw/zinc/01/95/99/297019599.db2.gz PIUWPANKSJWUBN-MRXNPFEDSA-N -1 3 301.342 2.518 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000436646944 297021170 /nfs/dbraw/zinc/02/11/70/297021170.db2.gz HVWQZQRAFFNYII-GFCCVEGCSA-N -1 3 301.317 2.867 20 0 DFADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436656216 297022125 /nfs/dbraw/zinc/02/21/25/297022125.db2.gz PQPFDGGDTGYJGD-ZFWWWQNUSA-N -1 3 307.415 2.999 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@@H](OC)C2CC2)c([O-])c1 ZINC000436661168 297022378 /nfs/dbraw/zinc/02/23/78/297022378.db2.gz XLYBDIZECZCUES-MRXNPFEDSA-N -1 3 307.390 2.726 20 0 DFADHM COC(=O)[C@]12CN(C(=O)c3ccc(C)cc3[O-])C[C@H]1CCCC2 ZINC000436662942 297022658 /nfs/dbraw/zinc/02/26/58/297022658.db2.gz DVSGCFAKYGKUCR-FZKQIMNGSA-N -1 3 317.385 2.506 20 0 DFADHM Cc1cccc(C(=O)NCc2nccn2-c2ccccc2)c1[O-] ZINC000436707403 297026935 /nfs/dbraw/zinc/02/69/35/297026935.db2.gz GZCJJBCJRILBIB-UHFFFAOYSA-N -1 3 307.353 2.816 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCC3CC(F)(F)C3)c([O-])c2O1 ZINC000436677587 297023968 /nfs/dbraw/zinc/02/39/68/297023968.db2.gz XVZCNHLESMUGES-UHFFFAOYSA-N -1 3 311.328 2.881 20 0 DFADHM COCCOc1ccccc1CNC(=O)c1cccc(C)c1[O-] ZINC000436687178 297025067 /nfs/dbraw/zinc/02/50/67/297025067.db2.gz HNKGIIBKBCSUOE-UHFFFAOYSA-N -1 3 315.369 2.656 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2ccc3c(c2)N(C)CC3)c1[O-] ZINC000436685574 297025287 /nfs/dbraw/zinc/02/52/87/297025287.db2.gz CPNKKOCGDYDCRJ-UHFFFAOYSA-N -1 3 312.369 2.954 20 0 DFADHM CC(C)c1ccc(C(=O)NCCOCC(F)(F)F)c([O-])c1 ZINC000436691014 297025444 /nfs/dbraw/zinc/02/54/44/297025444.db2.gz WTXFSSLNCUKVNV-UHFFFAOYSA-N -1 3 305.296 2.824 20 0 DFADHM COc1cccc(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)c1[O-] ZINC000436696552 297025656 /nfs/dbraw/zinc/02/56/56/297025656.db2.gz HUCMBIHNZOKCBX-SNVBAGLBSA-N -1 3 311.341 2.768 20 0 DFADHM CC1CCC(CN2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000436696787 297025677 /nfs/dbraw/zinc/02/56/77/297025677.db2.gz JEVSYGYJPAPKLY-UHFFFAOYSA-N -1 3 316.445 2.976 20 0 DFADHM CCOC(=O)c1ccc(C(=O)Nc2ccc(C)cc2[O-])nc1 ZINC000436700039 297026248 /nfs/dbraw/zinc/02/62/48/297026248.db2.gz TYAJCACOAHZEOV-UHFFFAOYSA-N -1 3 300.314 2.525 20 0 DFADHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000436748409 297031458 /nfs/dbraw/zinc/03/14/58/297031458.db2.gz SAMWZNFAQVSXDM-SJKOYZFVSA-N -1 3 315.369 2.907 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000436748542 297031496 /nfs/dbraw/zinc/03/14/96/297031496.db2.gz GMWJPSXDIJZVJG-CYBMUJFWSA-N -1 3 314.360 2.848 20 0 DFADHM CCc1ccc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]2C(C)C)c([O-])c1 ZINC000436750752 297031517 /nfs/dbraw/zinc/03/15/17/297031517.db2.gz YGGZUVXCCJYFBM-HOCLYGCPSA-N -1 3 319.401 2.614 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCOCC2(CC2)C1 ZINC000436751651 297031717 /nfs/dbraw/zinc/03/17/17/297031717.db2.gz UHNYLKXIYFZDFU-UHFFFAOYSA-N -1 3 301.386 2.524 20 0 DFADHM COCCN(Cc1cccs1)C(=O)c1cc(OC)ccc1[O-] ZINC000436753863 297031759 /nfs/dbraw/zinc/03/17/59/297031759.db2.gz GOKAKORIGFZBFD-UHFFFAOYSA-N -1 3 321.398 2.751 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(-n3cccn3)nc2)c([O-])c1C ZINC000436755254 297031913 /nfs/dbraw/zinc/03/19/13/297031913.db2.gz MEIJDXWGBABTBA-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM Cc1ccsc1[C@H](CO)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436709320 297027270 /nfs/dbraw/zinc/02/72/70/297027270.db2.gz VJNJVBWNELZTRI-ZDUSSCGKSA-N -1 3 305.399 2.842 20 0 DFADHM CCCN(C(=O)c1ccc([O-])c(CC)c1)[C@H](C)C(=O)OCC ZINC000436710282 297027444 /nfs/dbraw/zinc/02/74/44/297027444.db2.gz RSRWLUNBHFDMDL-GFCCVEGCSA-N -1 3 307.390 2.758 20 0 DFADHM COc1ccc(CCNC(=O)c2cc(C)ccc2[O-])cc1F ZINC000436720233 297028380 /nfs/dbraw/zinc/02/83/80/297028380.db2.gz CZZIRYBVJOUBGB-UHFFFAOYSA-N -1 3 303.333 2.821 20 0 DFADHM C[C@H]1CCC[C@@H](CN2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436721969 297028391 /nfs/dbraw/zinc/02/83/91/297028391.db2.gz ZKKQCPDISAVAMR-JKSUJKDBSA-N -1 3 316.445 2.976 20 0 DFADHM CC[C@](NC(=O)c1ccc(C(C)C)cc1[O-])(C(N)=O)C(C)C ZINC000436723027 297028434 /nfs/dbraw/zinc/02/84/34/297028434.db2.gz OZLGCGAQEMXOHH-QGZVFWFLSA-N -1 3 306.406 2.536 20 0 DFADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436725868 297028872 /nfs/dbraw/zinc/02/88/72/297028872.db2.gz VNYCZWYZWMGHES-QLJPJBMISA-N -1 3 319.332 2.743 20 0 DFADHM C[C@H](C[C@H]1CCCO1)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436726055 297028943 /nfs/dbraw/zinc/02/89/43/297028943.db2.gz SJDFNRHTMZSBHP-IUODEOHRSA-N -1 3 303.402 2.958 20 0 DFADHM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1c([O-])cccc1O ZINC000436733084 297029276 /nfs/dbraw/zinc/02/92/76/297029276.db2.gz FUKBIEBHQQIBKA-LBPRGKRZSA-N -1 3 317.316 2.663 20 0 DFADHM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1c([O-])cccc1O ZINC000436733081 297029314 /nfs/dbraw/zinc/02/93/14/297029314.db2.gz FUKBIEBHQQIBKA-GFCCVEGCSA-N -1 3 317.316 2.663 20 0 DFADHM COc1cccc(C(=O)N[C@H]2c3ccc(F)cc3O[C@@H]2C)c1[O-] ZINC000436743539 297030508 /nfs/dbraw/zinc/03/05/08/297030508.db2.gz HJQJLXPJCYHKPN-RFAUZJTJSA-N -1 3 317.316 2.792 20 0 DFADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c([O-])c1 ZINC000436761759 297032353 /nfs/dbraw/zinc/03/23/53/297032353.db2.gz OOUFNMMTKREHGE-UHFFFAOYSA-N -1 3 304.733 2.705 20 0 DFADHM C[C@H](CNC(=O)c1ccc(Cl)cc1[O-])N1CCC[C@@H](C)C1 ZINC000436763481 297032594 /nfs/dbraw/zinc/03/25/94/297032594.db2.gz GVTFCVVVOIVWPY-VXGBXAGGSA-N -1 3 310.825 2.896 20 0 DFADHM CCC(CC)N(CC)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436770731 297033282 /nfs/dbraw/zinc/03/32/82/297033282.db2.gz QCTCAKBBAHIZMT-UHFFFAOYSA-N -1 3 320.433 2.858 20 0 DFADHM CCC(=O)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436784761 297034035 /nfs/dbraw/zinc/03/40/35/297034035.db2.gz BOLWOUBJMJYDBP-UHFFFAOYSA-N -1 3 311.381 2.886 20 0 DFADHM CCC(=O)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436793474 297034830 /nfs/dbraw/zinc/03/48/30/297034830.db2.gz RITHIMJVYQWUPN-UHFFFAOYSA-N -1 3 313.353 2.680 20 0 DFADHM CCc1cnccc1[C@H](C)NC(=O)c1cccc(OC)c1[O-] ZINC000436794276 297034997 /nfs/dbraw/zinc/03/49/97/297034997.db2.gz UYPPPPGCXUQRNG-NSHDSACASA-N -1 3 300.358 2.849 20 0 DFADHM COC(=O)c1cccc(NC(=O)c2ccc(C(C)=O)cc2)c1[O-] ZINC000436802829 297035237 /nfs/dbraw/zinc/03/52/37/297035237.db2.gz KSWWKNUXTFHNLE-UHFFFAOYSA-N -1 3 313.309 2.634 20 0 DFADHM CCc1ccc(C(=O)NC[C@](C)(CO)c2ccccc2)c([O-])c1 ZINC000436797380 297035437 /nfs/dbraw/zinc/03/54/37/297035437.db2.gz MZURLDDDMNWLJO-LJQANCHMSA-N -1 3 313.397 2.635 20 0 DFADHM CC[C@@H](C)N(CC(=O)OC)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436798458 297035529 /nfs/dbraw/zinc/03/55/29/297035529.db2.gz TZYMTXNZFIUOCD-GFCCVEGCSA-N -1 3 319.401 2.685 20 0 DFADHM O=C(c1ccc([O-])cc1)N1CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC000436799128 297035544 /nfs/dbraw/zinc/03/55/44/297035544.db2.gz XBFWHWWRNRDLDS-ZDUSSCGKSA-N -1 3 324.371 2.585 20 0 DFADHM COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccccc1[O-] ZINC000436813805 297036659 /nfs/dbraw/zinc/03/66/59/297036659.db2.gz GECGBLANUGSHJS-CQSZACIVSA-N -1 3 305.374 2.634 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](c2nccc(C)n2)C2CC2)c([O-])c1 ZINC000436826610 297037600 /nfs/dbraw/zinc/03/76/00/297037600.db2.gz AUZQESCCOROECM-MRXNPFEDSA-N -1 3 311.385 2.934 20 0 DFADHM C[C@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCCN1C ZINC000436830089 297037911 /nfs/dbraw/zinc/03/79/11/297037911.db2.gz UOOJGNJAVGNUHJ-CABZTGNLSA-N -1 3 316.323 2.624 20 0 DFADHM CCc1ccc(C(=O)NCCCC(=O)OC(C)(C)C)c([O-])c1 ZINC000436832247 297038525 /nfs/dbraw/zinc/03/85/25/297038525.db2.gz IGBHMDHNPUKSIQ-UHFFFAOYSA-N -1 3 307.390 2.806 20 0 DFADHM CCc1ccc(C(=O)Nc2cn(C)nc2C(F)(F)F)c([O-])c1 ZINC000436833324 297038593 /nfs/dbraw/zinc/03/85/93/297038593.db2.gz VUKXQIRVKFFEFZ-UHFFFAOYSA-N -1 3 313.279 2.959 20 0 DFADHM CCc1ccc(-c2nc(-c3ccc(C(N)=O)cc3)no2)c([O-])c1 ZINC000436837659 297038882 /nfs/dbraw/zinc/03/88/82/297038882.db2.gz IBXKRLHGKSJPBX-UHFFFAOYSA-N -1 3 309.325 2.771 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@@H]2C2CCOCC2)c([O-])c1 ZINC000436837278 297038886 /nfs/dbraw/zinc/03/88/86/297038886.db2.gz HFCGAKFBJKFDRX-MRXNPFEDSA-N -1 3 303.402 2.986 20 0 DFADHM CN(CC[C@@H]1CCCO1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436843392 297039116 /nfs/dbraw/zinc/03/91/16/297039116.db2.gz ZFCZXPPPRMHTAW-AWEZNQCLSA-N -1 3 303.402 2.912 20 0 DFADHM CC1(C)CC[C@H](CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)O1 ZINC000436841206 297039304 /nfs/dbraw/zinc/03/93/04/297039304.db2.gz SUCXPAAQUNEJBH-GFCCVEGCSA-N -1 3 319.401 2.793 20 0 DFADHM CC(C)(C)C[C@H](O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436845466 297039633 /nfs/dbraw/zinc/03/96/33/297039633.db2.gz SOTXGBHZCSQGLZ-AWEZNQCLSA-N -1 3 305.418 2.798 20 0 DFADHM COc1cccc(C(=O)N2CCc3c2c(F)ccc3F)c1[O-] ZINC000436903978 297043496 /nfs/dbraw/zinc/04/34/96/297043496.db2.gz OHZLZJACOOILNF-UHFFFAOYSA-N -1 3 305.280 2.882 20 0 DFADHM COC[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(Cl)c1 ZINC000436861734 297040503 /nfs/dbraw/zinc/04/05/03/297040503.db2.gz FNHLFHWNQCCJLM-AWEZNQCLSA-N -1 3 321.760 2.869 20 0 DFADHM COc1cccc(C(=O)Nc2cnc(CC(C)C)nc2)c1[O-] ZINC000436863965 297041054 /nfs/dbraw/zinc/04/10/54/297041054.db2.gz LVIFKVWVWMNBRL-UHFFFAOYSA-N -1 3 301.346 2.642 20 0 DFADHM [O-]c1ccc(-c2noc(-c3ccc(-c4nc[nH]n4)cc3)n2)cc1 ZINC000436873804 297041261 /nfs/dbraw/zinc/04/12/61/297041261.db2.gz XWDPYVITSIGIEP-UHFFFAOYSA-N -1 3 305.297 2.894 20 0 DFADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)[C@@H]1CCCCO1 ZINC000436881903 297041474 /nfs/dbraw/zinc/04/14/74/297041474.db2.gz VRZWNNCPRWEBOE-PXAZEXFGSA-N -1 3 303.402 2.958 20 0 DFADHM Cc1ccc(NC(=O)CN(C)C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436898854 297043077 /nfs/dbraw/zinc/04/30/77/297043077.db2.gz AMXMRGOOIUAQKR-UHFFFAOYSA-N -1 3 312.369 2.720 20 0 DFADHM C[C@H](NC(=O)c1ccc(F)cc1[O-])[C@H](c1ccccc1)N(C)C ZINC000436909092 297044044 /nfs/dbraw/zinc/04/40/44/297044044.db2.gz XROMNBSNZALDOB-YVEFUNNKSA-N -1 3 316.376 2.953 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)ccc1[O-] ZINC000436922938 297044877 /nfs/dbraw/zinc/04/48/77/297044877.db2.gz RSNAABMEZPOPAA-GFCCVEGCSA-N -1 3 314.389 2.510 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)ccc1[O-] ZINC000436923965 297045096 /nfs/dbraw/zinc/04/50/96/297045096.db2.gz FDNYKPYBQLDSCK-LLVKDONJSA-N -1 3 313.357 2.682 20 0 DFADHM Cc1cc(C(=O)NCCCc2nc(C(C)C)no2)ccc1[O-] ZINC000436926664 297045441 /nfs/dbraw/zinc/04/54/41/297045441.db2.gz ODRABULBNVDPRM-UHFFFAOYSA-N -1 3 303.362 2.570 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cccc3[nH]c(=O)oc32)c1[O-] ZINC000436932768 297045987 /nfs/dbraw/zinc/04/59/87/297045987.db2.gz DUYTVKBHCYHZLZ-UHFFFAOYSA-N -1 3 314.297 2.808 20 0 DFADHM O=C(N[C@H]1COc2cccc(Cl)c21)c1c([O-])cccc1O ZINC000436940835 297046668 /nfs/dbraw/zinc/04/66/68/297046668.db2.gz YKBJHBFOLRZFED-VIFPVBQESA-N -1 3 305.717 2.615 20 0 DFADHM CCCCOc1ccc(C(=O)NCc2cccn2C)c([O-])c1 ZINC000436988443 297050546 /nfs/dbraw/zinc/05/05/46/297050546.db2.gz PHUOKCOIZCGTHF-UHFFFAOYSA-N -1 3 302.374 2.840 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000436990601 297050602 /nfs/dbraw/zinc/05/06/02/297050602.db2.gz RANXHXFESACRNG-CJNGLKHVSA-N -1 3 321.417 2.852 20 0 DFADHM CCCCOc1ccc(C(=O)Nc2nnc(CC)[nH]2)c([O-])c1 ZINC000436989743 297050730 /nfs/dbraw/zinc/05/07/30/297050730.db2.gz RZGQLAQUFLMRGN-UHFFFAOYSA-N -1 3 304.350 2.504 20 0 DFADHM O=C(NCCc1ccc(O)cc1)c1ccc2c(c1[O-])CCCC2 ZINC000436991498 297051101 /nfs/dbraw/zinc/05/11/01/297051101.db2.gz YHZFYUKUUGWIMO-UHFFFAOYSA-N -1 3 311.381 2.949 20 0 DFADHM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(O)cc1[O-] ZINC000437007842 297052578 /nfs/dbraw/zinc/05/25/78/297052578.db2.gz XGCSLTZGACKPDE-AULYBMBSSA-N -1 3 301.317 2.913 20 0 DFADHM CO[C@@](C)(C(=O)Nc1nc(C)ccc1[O-])c1ccccc1F ZINC000277278050 294063333 /nfs/dbraw/zinc/06/33/33/294063333.db2.gz NBWQVUFRRXCWHU-MRXNPFEDSA-N -1 3 304.321 2.735 20 0 DFADHM Cc1cnccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000437409048 297061469 /nfs/dbraw/zinc/06/14/69/297061469.db2.gz RDJUPRJLYLLSEK-UHFFFAOYSA-N -1 3 304.415 2.910 20 0 DFADHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000437861874 297072638 /nfs/dbraw/zinc/07/26/38/297072638.db2.gz KZBYPCFRZJWTJN-KGLIPLIRSA-N -1 3 319.401 2.977 20 0 DFADHM NC(=O)c1ccc(C(=O)[N-]c2nc3cc(F)c(F)cc3s2)o1 ZINC000438045175 297077831 /nfs/dbraw/zinc/07/78/31/297077831.db2.gz RNEODPGZOYKUNV-UHFFFAOYSA-N -1 3 323.280 2.519 20 0 DFADHM COc1ccc(N[C@@H](C)C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000182732621 295164137 /nfs/dbraw/zinc/16/41/37/295164137.db2.gz GDDGIIHFIVBKJV-JTQLQIEISA-N -1 3 300.424 2.913 20 0 DFADHM COc1cccc(C(=O)N2CCOc3cccc(F)c3C2)c1[O-] ZINC000367291622 295285934 /nfs/dbraw/zinc/28/59/34/295285934.db2.gz OIZPTLZYBGMTKL-UHFFFAOYSA-N -1 3 317.316 2.575 20 0 DFADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ncon1 ZINC000154452985 295300842 /nfs/dbraw/zinc/30/08/42/295300842.db2.gz YCEUHBKZTPSXJD-LBPRGKRZSA-N -1 3 323.352 2.857 20 0 DFADHM CC(C)(NC(=O)c1ccccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000154690974 295304697 /nfs/dbraw/zinc/30/46/97/295304697.db2.gz ULVDZPVTLYLQGQ-UHFFFAOYSA-N -1 3 322.368 2.638 20 0 DFADHM COc1ccc(NC(C)=O)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000154851602 295307854 /nfs/dbraw/zinc/30/78/54/295307854.db2.gz GBDXPEQQSVDSNV-UHFFFAOYSA-N -1 3 314.341 2.920 20 0 DFADHM CC1(C)Cc2ccc(C(=O)N3C[C@@H]4CCC[C@@H]4C3)c([O-])c2O1 ZINC000155182521 295314275 /nfs/dbraw/zinc/31/42/75/295314275.db2.gz IVRHSZNZPSSEIS-BETUJISGSA-N -1 3 301.386 2.978 20 0 DFADHM O=C(COc1ccc(F)cc1)N1CCCc2cccc([O-])c21 ZINC000155603388 295321497 /nfs/dbraw/zinc/32/14/97/295321497.db2.gz MFZXXACECCYZBB-UHFFFAOYSA-N -1 3 301.317 2.890 20 0 DFADHM CC(=O)Nc1ccc(CC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000155651789 295322670 /nfs/dbraw/zinc/32/26/70/295322670.db2.gz FHSUGWJPDLZQJC-UHFFFAOYSA-N -1 3 324.380 2.873 20 0 DFADHM O=C(COc1ccccc1F)N1CCCc2cccc([O-])c21 ZINC000155664767 295323109 /nfs/dbraw/zinc/32/31/09/295323109.db2.gz HMCQLNLTUDVNCQ-UHFFFAOYSA-N -1 3 301.317 2.890 20 0 DFADHM O=C(CCc1cccc(F)c1F)Nc1nnc(-c2ccco2)[n-]1 ZINC000155898578 295327703 /nfs/dbraw/zinc/32/77/03/295327703.db2.gz UQMLKSYYFIOJBO-UHFFFAOYSA-N -1 3 318.283 2.914 20 0 DFADHM O=C(CCc1cccc(F)c1F)Nc1nc(-c2ccco2)n[n-]1 ZINC000155898578 295327706 /nfs/dbraw/zinc/32/77/06/295327706.db2.gz UQMLKSYYFIOJBO-UHFFFAOYSA-N -1 3 318.283 2.914 20 0 DFADHM O=C(CCc1cccc(F)c1F)Nc1n[n-]c(-c2ccco2)n1 ZINC000155898578 295327708 /nfs/dbraw/zinc/32/77/08/295327708.db2.gz UQMLKSYYFIOJBO-UHFFFAOYSA-N -1 3 318.283 2.914 20 0 DFADHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1ccccc1 ZINC000156197576 295332706 /nfs/dbraw/zinc/33/27/06/295332706.db2.gz WYEYKDJNQSYUMM-UHFFFAOYSA-N -1 3 318.354 2.502 20 0 DFADHM COc1cccc(/C=C/C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000156298192 295334213 /nfs/dbraw/zinc/33/42/13/295334213.db2.gz ABHLJBFHQDRUQF-SOFGYWHQSA-N -1 3 301.317 2.870 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC000157745974 295352877 /nfs/dbraw/zinc/35/28/77/295352877.db2.gz FABFHEZADFSFOH-NEPJUHHUSA-N -1 3 321.801 2.715 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)[C@@H]1CCCO1 ZINC000157846809 295354344 /nfs/dbraw/zinc/35/43/44/295354344.db2.gz BUNMSIRKAXYBMJ-STQMWFEESA-N -1 3 319.373 2.509 20 0 DFADHM Cc1nsc([N-]C(=O)c2cn(C)nc2-c2cccs2)n1 ZINC000157980540 295356548 /nfs/dbraw/zinc/35/65/48/295356548.db2.gz MTUJINAWQFLFFO-UHFFFAOYSA-N -1 3 305.388 2.561 20 0 DFADHM CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CCC1 ZINC000158780181 295367217 /nfs/dbraw/zinc/36/72/17/295367217.db2.gz BQKRJPUXRNADOX-OAHLLOKOSA-N -1 3 314.385 2.659 20 0 DFADHM CCOC(=O)Cc1csc([N-]c2ncnc3sccc32)n1 ZINC000163084979 295419997 /nfs/dbraw/zinc/41/99/97/295419997.db2.gz ISGBMHKPGFBIMC-UHFFFAOYSA-N -1 3 320.399 2.997 20 0 DFADHM CN(C(=O)c1ccccc1[O-])C1CCN(c2ccccn2)CC1 ZINC000363676291 295433160 /nfs/dbraw/zinc/43/31/60/295433160.db2.gz DJDJIXLNETTXFQ-UHFFFAOYSA-N -1 3 311.385 2.528 20 0 DFADHM C[C@@H]1CC[C@@H](CNCc2cccc([O-])c2Br)O1 ZINC000398077777 295489664 /nfs/dbraw/zinc/48/96/64/295489664.db2.gz JDAWOECZXHYBKN-KOLCDFICSA-N -1 3 300.196 2.812 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)CC(F)(F)F ZINC000410626364 295511625 /nfs/dbraw/zinc/51/16/25/295511625.db2.gz QHGXDMXXKIVOAV-SSDOTTSWSA-N -1 3 322.283 2.941 20 0 DFADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CCCCC(C)C ZINC000410720848 295514140 /nfs/dbraw/zinc/51/41/40/295514140.db2.gz UQPHQHBXMJWEKM-UHFFFAOYSA-N -1 3 324.377 2.743 20 0 DFADHM COC(=O)c1cc([N-]C(=O)c2cc(C3CC3)no2)c(C)s1 ZINC000411110628 295525197 /nfs/dbraw/zinc/52/51/97/295525197.db2.gz RKFIBLFVIOSMOB-UHFFFAOYSA-N -1 3 306.343 2.961 20 0 DFADHM CC(=O)c1ccc(C(=O)NCCC[C@@H]2CCCCO2)cc1[O-] ZINC000412252841 295605660 /nfs/dbraw/zinc/60/56/60/295605660.db2.gz QTMIVSDXVKOLHE-AWEZNQCLSA-N -1 3 305.374 2.674 20 0 DFADHM CC(=O)c1ccc(C(=O)N(C)CC2(O)CCCCCC2)cc1[O-] ZINC000412272713 295607490 /nfs/dbraw/zinc/60/74/90/295607490.db2.gz QLYJGDGWQCVVMF-UHFFFAOYSA-N -1 3 319.401 2.752 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)cc1[O-] ZINC000412272380 295607531 /nfs/dbraw/zinc/60/75/31/295607531.db2.gz QBYCZLUYJIFEAJ-SJLPKXTDSA-N -1 3 317.385 2.530 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@H](CO)CCC(C)(C)C)cc1[O-] ZINC000412302595 295610239 /nfs/dbraw/zinc/61/02/39/295610239.db2.gz DOWMNHSTGLGKFL-ZDUSSCGKSA-N -1 3 307.390 2.512 20 0 DFADHM CC(C)(C)c1ccc(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)c([O-])c1 ZINC000412316758 295611832 /nfs/dbraw/zinc/61/18/32/295611832.db2.gz CDJNOJXCTDJQQP-CYBMUJFWSA-N -1 3 321.421 2.711 20 0 DFADHM CSC[C@@H]1CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000412362132 295616000 /nfs/dbraw/zinc/61/60/00/295616000.db2.gz NMRUEVLHMIRHGN-GFCCVEGCSA-N -1 3 307.415 2.810 20 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BMNZKQKVKQCGMU-UHFFFAOYSA-N -1 3 323.308 2.776 20 0 DFADHM CCCC[C@H](CCC)CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000440823091 297166285 /nfs/dbraw/zinc/16/62/85/297166285.db2.gz CYFINLFZPLYOJJ-LBPRGKRZSA-N -1 3 316.401 2.907 20 0 DFADHM O=C([N-]c1cc(Cl)cc(F)c1F)c1cnn2cccnc12 ZINC000441595631 297186569 /nfs/dbraw/zinc/18/65/69/297186569.db2.gz HFMBYTNDYGMTID-UHFFFAOYSA-N -1 3 308.675 2.913 20 0 DFADHM COc1cc(C(=O)N[C@H]2COc3ccc(Cl)cc32)ccc1[O-] ZINC000442668941 297200277 /nfs/dbraw/zinc/20/02/77/297200277.db2.gz FXDVOCYRJVWYRO-LBPRGKRZSA-N -1 3 319.744 2.918 20 0 DFADHM COc1cc(C(=O)N[C@@H]2CSc3ccccc32)ccc1[O-] ZINC000442673344 297200593 /nfs/dbraw/zinc/20/05/93/297200593.db2.gz UFWXGNPPNMGHDD-GFCCVEGCSA-N -1 3 301.367 2.978 20 0 DFADHM CN(CCCO)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000443002124 297212969 /nfs/dbraw/zinc/21/29/69/297212969.db2.gz OAWQAVXXUHBDHO-UHFFFAOYSA-N -1 3 313.397 2.632 20 0 DFADHM CCc1ccc(C(=O)NCc2cccc(N3CCC3=O)c2)c([O-])c1 ZINC000443047845 297213649 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317046243 /nfs/dbraw/zinc/04/62/43/317046243.db2.gz GUXAZOXRJRFKKX-MRVPVSSYSA-N -1 3 313.266 2.859 20 0 DFADHM CCOc1nc2cc(C(=O)NCc3ccncc3CC)ccc2[n-]1 ZINC000450479682 317094671 /nfs/dbraw/zinc/09/46/71/317094671.db2.gz PXZBLUZZRSHFTN-UHFFFAOYSA-N -1 3 324.384 2.849 20 0 DFADHM CCOc1nc2ccc(C(=O)NCc3ccncc3CC)cc2[n-]1 ZINC000450479682 317094675 /nfs/dbraw/zinc/09/46/75/317094675.db2.gz PXZBLUZZRSHFTN-UHFFFAOYSA-N -1 3 324.384 2.849 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)n1 ZINC000450530976 317108543 /nfs/dbraw/zinc/10/85/43/317108543.db2.gz GLMBGOHWSHLKHR-LBPRGKRZSA-N -1 3 321.421 2.611 20 0 DFADHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC000451460792 317115912 /nfs/dbraw/zinc/11/59/12/317115912.db2.gz ZHDURXKGAIDTFE-STQMWFEESA-N -1 3 323.389 2.825 20 0 DFADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC(C)(C)O1 ZINC000459296924 317313975 /nfs/dbraw/zinc/31/39/75/317313975.db2.gz HNHLQLMYXMONIW-CYBMUJFWSA-N -1 3 313.401 2.849 20 0 DFADHM 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CCOc1ccc(F)c([N-]C(=O)c2cn(CC3CC3)nn2)c1F ZINC000574777940 318040375 /nfs/dbraw/zinc/04/03/75/318040375.db2.gz PMAFOVGTHJXWKU-UHFFFAOYSA-N -1 3 322.315 2.617 20 0 DFADHM O=C(Cc1cncc([O-])c1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000574889805 318048210 /nfs/dbraw/zinc/04/82/10/318048210.db2.gz GFIKIHCNVMAITD-AWEZNQCLSA-N -1 3 324.302 2.792 20 0 DFADHM O=c1nc(CN[C@@H]2CCC[C@H]2OC(F)F)[n-]c2ccsc21 ZINC000574970520 318053510 /nfs/dbraw/zinc/05/35/10/318053510.db2.gz PHEDPTFEWDNYSQ-VXNVDRBHSA-N -1 3 315.345 2.647 20 0 DFADHM CCOc1cc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1OC ZINC000575123502 318064620 /nfs/dbraw/zinc/06/46/20/318064620.db2.gz KIKJGMMUXAUHIN-GXTWGEPZSA-N -1 3 307.390 2.637 20 0 DFADHM O=C([O-])c1cnccc1N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000575925106 318092315 /nfs/dbraw/zinc/09/23/15/318092315.db2.gz BQKVXXWYJOKMJH-SFHVURJKSA-N -1 3 310.353 2.806 20 0 DFADHM C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000575995707 318097291 /nfs/dbraw/zinc/09/72/91/318097291.db2.gz 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545830940 /nfs/dbraw/zinc/83/09/40/545830940.db2.gz IVKCFICCWJMWTC-UHFFFAOYSA-N -1 3 312.369 2.816 20 0 DFADHM COc1cc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)ccc1[O-] ZINC000682363369 545831067 /nfs/dbraw/zinc/83/10/67/545831067.db2.gz FBIVXFSPVYHIHC-AWEZNQCLSA-N -1 3 312.369 2.501 20 0 DFADHM CCc1ccc(C(=O)Nc2cnn(-c3ccncc3)c2)c([O-])c1 ZINC000682489961 545859895 /nfs/dbraw/zinc/85/98/95/545859895.db2.gz VZFOQMBVASCOCI-UHFFFAOYSA-N -1 3 308.341 2.788 20 0 DFADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)CCCO1 ZINC000682502664 545861642 /nfs/dbraw/zinc/86/16/42/545861642.db2.gz PLYHQWAPLQHGGB-UHFFFAOYSA-N -1 3 309.381 2.882 20 0 DFADHM CCc1ccc(C(=O)N[C@H]2CCCc3c2cnn3CC)c([O-])c1 ZINC000682508590 545864044 /nfs/dbraw/zinc/86/40/44/545864044.db2.gz IQRCLTMXNDQWJZ-HNNXBMFYSA-N -1 3 313.401 2.978 20 0 DFADHM COc1nnc([N-]C(=O)c2ccc(Br)s2)s1 ZINC000682679815 545895871 /nfs/dbraw/zinc/89/58/71/545895871.db2.gz MPOBCDIIDRZEHU-UHFFFAOYSA-N -1 3 320.193 2.623 20 0 DFADHM C=C/C(C)=C/CC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O 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DFADHM CCOc1cnc(C(=O)[N-]c2ccc(O)cc2SC)cn1 ZINC000683122364 545976467 /nfs/dbraw/zinc/97/64/67/545976467.db2.gz HXYXKYGNULGNLY-UHFFFAOYSA-N -1 3 305.359 2.555 20 0 DFADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccnc2C)cc1 ZINC000683170886 545983912 /nfs/dbraw/zinc/98/39/12/545983912.db2.gz BRDQZBODPJGFSL-INIZCTEOSA-N -1 3 300.358 2.704 20 0 DFADHM CC(C)c1cc(C[N-]S(=O)(=O)CCc2cccs2)on1 ZINC000683464419 546038839 /nfs/dbraw/zinc/03/88/39/546038839.db2.gz ZJKKTFXWZPIEHC-UHFFFAOYSA-N -1 3 314.432 2.522 20 0 DFADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1cc(F)ccc1F ZINC000684254009 546181608 /nfs/dbraw/zinc/18/16/08/546181608.db2.gz IYRDUDPWVUTZBL-SECBINFHSA-N -1 3 307.300 2.626 20 0 DFADHM COc1ccccc1C(C)(C)CNC(=O)c1csc(=O)[n-]1 ZINC000684268174 546185391 /nfs/dbraw/zinc/18/53/91/546185391.db2.gz NXHJFPYACAFIIO-UHFFFAOYSA-N -1 3 306.387 2.565 20 0 DFADHM COc1ccc(-c2nccnc2[N-]C(=O)c2cc(C)no2)cc1 ZINC000684842057 546290122 /nfs/dbraw/zinc/29/01/22/546290122.db2.gz JEQNLCVCXCPYSF-UHFFFAOYSA-N -1 3 310.313 2.701 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3ccn4ccnc4c3)n[n-]2)o1 ZINC000684854858 546293775 /nfs/dbraw/zinc/29/37/75/546293775.db2.gz ZRQJXYKLAUXEHD-UHFFFAOYSA-N -1 3 307.313 2.878 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3ccn4ccnc4c3)[n-]n2)o1 ZINC000684854858 546293778 /nfs/dbraw/zinc/29/37/78/546293778.db2.gz ZRQJXYKLAUXEHD-UHFFFAOYSA-N -1 3 307.313 2.878 20 0 DFADHM CCc1ccc(-c2nc(Cc3cccc(OC)n3)no2)c([O-])c1 ZINC000685333584 546342723 /nfs/dbraw/zinc/34/27/23/546342723.db2.gz AKJFJUIGYVPXOJ-UHFFFAOYSA-N -1 3 311.341 2.999 20 0 DFADHM [O-]c1cccnc1CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000685431275 546348694 /nfs/dbraw/zinc/34/86/94/546348694.db2.gz MPYMXFBFSURWTC-CQSZACIVSA-N -1 3 312.417 2.700 20 0 DFADHM CO[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)C(F)(F)F ZINC000736960265 598830090 /nfs/dbraw/zinc/83/00/90/598830090.db2.gz GTZMRELJDQNMAB-SECBINFHSA-N -1 3 321.690 2.509 20 0 DFADHM CO[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)C(F)(F)F ZINC000736960265 598830092 /nfs/dbraw/zinc/83/00/92/598830092.db2.gz GTZMRELJDQNMAB-SECBINFHSA-N -1 3 321.690 2.509 20 0 DFADHM Fc1ccc(CCNc2ncccc2-c2nnn[n-]2)c(Cl)c1 ZINC000737649149 598830570 /nfs/dbraw/zinc/83/05/70/598830570.db2.gz LFCAFTUXSKRNEZ-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM Fc1ccc(CCNc2ncccc2-c2nn[n-]n2)c(Cl)c1 ZINC000737649149 598830572 /nfs/dbraw/zinc/83/05/72/598830572.db2.gz LFCAFTUXSKRNEZ-UHFFFAOYSA-N -1 3 318.743 2.709 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000736239010 598838228 /nfs/dbraw/zinc/83/82/28/598838228.db2.gz FQWZZYXNWZVIGO-SUNKGSAMSA-N -1 3 314.393 2.813 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736239010 598838229 /nfs/dbraw/zinc/83/82/29/598838229.db2.gz FQWZZYXNWZVIGO-SUNKGSAMSA-N -1 3 314.393 2.813 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCCC2CC2)n1 ZINC000737637057 599443924 /nfs/dbraw/zinc/44/39/24/599443924.db2.gz YNWWRYFVYKZJHW-UHFFFAOYSA-N -1 3 312.299 2.883 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCCC2CC2)n1 ZINC000737637057 599443921 /nfs/dbraw/zinc/44/39/21/599443921.db2.gz YNWWRYFVYKZJHW-UHFFFAOYSA-N -1 3 312.299 2.883 20 0 DFADHM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000735735367 598855003 /nfs/dbraw/zinc/85/50/03/598855003.db2.gz STKMLRMYOCEFQC-OAHLLOKOSA-N -1 3 323.356 2.816 20 0 DFADHM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000735735367 598855004 /nfs/dbraw/zinc/85/50/04/598855004.db2.gz STKMLRMYOCEFQC-OAHLLOKOSA-N -1 3 323.356 2.816 20 0 DFADHM Fc1ccc(Cc2noc(-c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000737651333 598859867 /nfs/dbraw/zinc/85/98/67/598859867.db2.gz VWJJZGHTWOACOS-UHFFFAOYSA-N -1 3 322.303 2.647 20 0 DFADHM Fc1ccc(Cc2noc(-c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000737651333 598859868 /nfs/dbraw/zinc/85/98/68/598859868.db2.gz VWJJZGHTWOACOS-UHFFFAOYSA-N -1 3 322.303 2.647 20 0 DFADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000736103072 598865300 /nfs/dbraw/zinc/86/53/00/598865300.db2.gz VYOUIBCSLCMKFQ-HCRIHEDKSA-N -1 3 311.389 2.575 20 0 DFADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000736103072 598865302 /nfs/dbraw/zinc/86/53/02/598865302.db2.gz VYOUIBCSLCMKFQ-HCRIHEDKSA-N -1 3 311.389 2.575 20 0 DFADHM Cc1noc(C)c1[C@H](C)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737539624 598870510 /nfs/dbraw/zinc/87/05/10/598870510.db2.gz SXFAQDZUXFCXMH-LURJTMIESA-N -1 3 320.303 2.923 20 0 DFADHM Cc1noc(C)c1[C@H](C)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737539624 598870511 /nfs/dbraw/zinc/87/05/11/598870511.db2.gz SXFAQDZUXFCXMH-LURJTMIESA-N -1 3 320.303 2.923 20 0 DFADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000736222867 598888601 /nfs/dbraw/zinc/88/86/01/598888601.db2.gz GTZQPZZOBROXGW-YABSGUDNSA-N -1 3 314.393 2.813 20 0 DFADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000736222867 598888603 /nfs/dbraw/zinc/88/86/03/598888603.db2.gz GTZQPZZOBROXGW-YABSGUDNSA-N -1 3 314.393 2.813 20 0 DFADHM Cc1cccc2c1CCCN2C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737408619 598909151 /nfs/dbraw/zinc/90/91/51/598909151.db2.gz KMSCBRZSPKXCJC-UHFFFAOYSA-N -1 3 319.368 2.768 20 0 DFADHM Cc1cccc2c1CCCN2C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737408619 598909153 /nfs/dbraw/zinc/90/91/53/598909153.db2.gz KMSCBRZSPKXCJC-UHFFFAOYSA-N -1 3 319.368 2.768 20 0 DFADHM CCCCSCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736463814 598909288 /nfs/dbraw/zinc/90/92/88/598909288.db2.gz QTEUFJZOKLKVTE-UHFFFAOYSA-N -1 3 320.418 2.833 20 0 DFADHM CCCCSCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736463814 598909289 /nfs/dbraw/zinc/90/92/89/598909289.db2.gz QTEUFJZOKLKVTE-UHFFFAOYSA-N -1 3 320.418 2.833 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@H]1CSc2ccccc21 ZINC000738191469 599292732 /nfs/dbraw/zinc/29/27/32/599292732.db2.gz LKBVZEVHEWSEPZ-LBPRGKRZSA-N -1 3 323.381 2.695 20 0 DFADHM CC[C@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000736408699 598914079 /nfs/dbraw/zinc/91/40/79/598914079.db2.gz GICJQINBTTUJFC-HNNXBMFYSA-N -1 3 306.373 2.776 20 0 DFADHM CC[C@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000736408699 598914080 /nfs/dbraw/zinc/91/40/80/598914080.db2.gz GICJQINBTTUJFC-HNNXBMFYSA-N -1 3 306.373 2.776 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@H]1CSc2ccccc21 ZINC000738191469 599292734 /nfs/dbraw/zinc/29/27/34/599292734.db2.gz LKBVZEVHEWSEPZ-LBPRGKRZSA-N -1 3 323.381 2.695 20 0 DFADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(O)c1 ZINC000736135512 598939688 /nfs/dbraw/zinc/93/96/88/598939688.db2.gz ASHCXAYETHEQCQ-QMMMGPOBSA-N -1 3 316.752 2.794 20 0 DFADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(O)c1 ZINC000736135512 598939689 /nfs/dbraw/zinc/93/96/89/598939689.db2.gz ASHCXAYETHEQCQ-QMMMGPOBSA-N -1 3 316.752 2.794 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@H]1C1CCC1 ZINC000737565696 598941859 /nfs/dbraw/zinc/94/18/59/598941859.db2.gz WEMNHPYTMCOMNU-LBPRGKRZSA-N -1 3 304.785 2.684 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@H]1C1CCC1 ZINC000737565696 598941860 /nfs/dbraw/zinc/94/18/60/598941860.db2.gz WEMNHPYTMCOMNU-LBPRGKRZSA-N -1 3 304.785 2.684 20 0 DFADHM CCO[C@H]1C[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000736610507 598974199 /nfs/dbraw/zinc/97/41/99/598974199.db2.gz IECGPBHSKQCZHK-STQMWFEESA-N -1 3 319.384 2.646 20 0 DFADHM CCO[C@H]1C[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000736610507 598974201 /nfs/dbraw/zinc/97/42/01/598974201.db2.gz IECGPBHSKQCZHK-STQMWFEESA-N -1 3 319.384 2.646 20 0 DFADHM CC[C@@H]1CCC[C@H](Nc2nnc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736400484 598975187 /nfs/dbraw/zinc/97/51/87/598975187.db2.gz OTONDJWUHJFLPU-NEPJUHHUSA-N -1 3 301.398 2.654 20 0 DFADHM CC[C@@H]1CCC[C@H](Nc2nnc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000736400484 598975188 /nfs/dbraw/zinc/97/51/88/598975188.db2.gz OTONDJWUHJFLPU-NEPJUHHUSA-N -1 3 301.398 2.654 20 0 DFADHM CC(C)CN(Cc1ccon1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735830105 598984060 /nfs/dbraw/zinc/98/40/60/598984060.db2.gz DGSXITLRTBEXID-UHFFFAOYSA-N -1 3 312.377 2.513 20 0 DFADHM C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736095902 599015167 /nfs/dbraw/zinc/01/51/67/599015167.db2.gz KCURUKKVESIAHU-GHMZBOCLSA-N -1 3 301.394 2.726 20 0 DFADHM C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736095902 599015169 /nfs/dbraw/zinc/01/51/69/599015169.db2.gz KCURUKKVESIAHU-GHMZBOCLSA-N -1 3 301.394 2.726 20 0 DFADHM C[C@@H]1CCC[C@H](CCNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736250749 599016676 /nfs/dbraw/zinc/01/66/76/599016676.db2.gz MBTACZNZCMYHQD-CHWSQXEVSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@@H]1CCC[C@H](CCNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736250749 599016677 /nfs/dbraw/zinc/01/66/77/599016677.db2.gz MBTACZNZCMYHQD-CHWSQXEVSA-N -1 3 313.405 2.813 20 0 DFADHM CC(C)(C)SCCOC(=O)c1sccc1-c1nnn[n-]1 ZINC000735644536 599027856 /nfs/dbraw/zinc/02/78/56/599027856.db2.gz ZSWRIYAIUKHNIK-UHFFFAOYSA-N -1 3 312.420 2.617 20 0 DFADHM CN(Cc1ccco1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736828493 599039504 /nfs/dbraw/zinc/03/95/04/599039504.db2.gz MKEKETWSKTUBRJ-UHFFFAOYSA-N -1 3 324.266 2.510 20 0 DFADHM CN(Cc1ccco1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736828493 599039506 /nfs/dbraw/zinc/03/95/06/599039506.db2.gz MKEKETWSKTUBRJ-UHFFFAOYSA-N -1 3 324.266 2.510 20 0 DFADHM CC(C)[C@@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735703074 599042856 /nfs/dbraw/zinc/04/28/56/599042856.db2.gz REGNMCKFAROOPP-MRVPVSSYSA-N -1 3 314.315 2.761 20 0 DFADHM CC(C)[C@@H](C)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735703074 599042858 /nfs/dbraw/zinc/04/28/58/599042858.db2.gz REGNMCKFAROOPP-MRVPVSSYSA-N -1 3 314.315 2.761 20 0 DFADHM CC1(C)C[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736212454 599056711 /nfs/dbraw/zinc/05/67/11/599056711.db2.gz ZSNAODWKMACRGF-ZETCQYMHSA-N -1 3 312.299 2.739 20 0 DFADHM CC1(C)C[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736212454 599056714 /nfs/dbraw/zinc/05/67/14/599056714.db2.gz ZSNAODWKMACRGF-ZETCQYMHSA-N -1 3 312.299 2.739 20 0 DFADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ncccc2-c2nnn[n-]2)C1 ZINC000820666239 599059951 /nfs/dbraw/zinc/05/99/51/599059951.db2.gz HHJAVSPRGRQTRC-NHYWBVRUSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ncccc2-c2nn[n-]n2)C1 ZINC000820666239 599059953 /nfs/dbraw/zinc/05/99/53/599059953.db2.gz HHJAVSPRGRQTRC-NHYWBVRUSA-N -1 3 324.363 2.988 20 0 DFADHM CCCc1nc(CSc2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000736494726 599063130 /nfs/dbraw/zinc/06/31/30/599063130.db2.gz FHADPTSNUONCPJ-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM CCCc1nc(CSc2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000736494726 599063131 /nfs/dbraw/zinc/06/31/31/599063131.db2.gz FHADPTSNUONCPJ-UHFFFAOYSA-N -1 3 320.353 2.634 20 0 DFADHM Cc1nnc(NCC[C@@H]2CCC[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737521439 599064283 /nfs/dbraw/zinc/06/42/83/599064283.db2.gz PJRHIFPQTMQZES-MFKMUULPSA-N -1 3 315.425 2.902 20 0 DFADHM Cc1nnc(NCC[C@@H]2CCC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737521439 599064287 /nfs/dbraw/zinc/06/42/87/599064287.db2.gz PJRHIFPQTMQZES-MFKMUULPSA-N -1 3 315.425 2.902 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1nnc(C2CC2)o1 ZINC000737645303 599066311 /nfs/dbraw/zinc/06/63/11/599066311.db2.gz WRQDJCQYSZZWTH-UHFFFAOYSA-N -1 3 318.337 2.559 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1nnc(C2CC2)o1 ZINC000737645303 599066313 /nfs/dbraw/zinc/06/63/13/599066313.db2.gz WRQDJCQYSZZWTH-UHFFFAOYSA-N -1 3 318.337 2.559 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2c(C)cccc2F)n1 ZINC000822192926 599068630 /nfs/dbraw/zinc/06/86/30/599068630.db2.gz GBUAFOSIHFLNQH-UHFFFAOYSA-N -1 3 312.352 2.938 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2c(C)cccc2F)n1 ZINC000822192926 599068632 /nfs/dbraw/zinc/06/86/32/599068632.db2.gz GBUAFOSIHFLNQH-UHFFFAOYSA-N -1 3 312.352 2.938 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1nccc2occc21 ZINC000822761554 599074137 /nfs/dbraw/zinc/07/41/37/599074137.db2.gz PCLSVJYYNTZBBN-UHFFFAOYSA-N -1 3 310.292 2.759 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1nccc2occc21 ZINC000822761554 599074140 /nfs/dbraw/zinc/07/41/40/599074140.db2.gz PCLSVJYYNTZBBN-UHFFFAOYSA-N -1 3 310.292 2.759 20 0 DFADHM C[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000820766673 599075223 /nfs/dbraw/zinc/07/52/23/599075223.db2.gz CERMTAFMWGIYEF-DTORHVGOSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820766673 599075226 /nfs/dbraw/zinc/07/52/26/599075226.db2.gz CERMTAFMWGIYEF-DTORHVGOSA-N -1 3 309.826 2.850 20 0 DFADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCSC1 ZINC000822718687 599078617 /nfs/dbraw/zinc/07/86/17/599078617.db2.gz OSRJPHDHXOSKQX-MRVPVSSYSA-N -1 3 315.324 2.803 20 0 DFADHM CC(C)Cn1cc(Nc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000820109003 599084281 /nfs/dbraw/zinc/08/42/81/599084281.db2.gz YWBRYYGOBYUEHK-UHFFFAOYSA-N -1 3 301.329 2.602 20 0 DFADHM CC(C)Cn1cc(Nc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000820109003 599084284 /nfs/dbraw/zinc/08/42/84/599084284.db2.gz YWBRYYGOBYUEHK-UHFFFAOYSA-N -1 3 301.329 2.602 20 0 DFADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1sccc1-c1nnn[n-]1 ZINC000738020223 599096043 /nfs/dbraw/zinc/09/60/43/599096043.db2.gz MEKCKVCBZVAOSB-RYUDHWBXSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1sccc1-c1nn[n-]n1 ZINC000738020223 599096046 /nfs/dbraw/zinc/09/60/46/599096046.db2.gz MEKCKVCBZVAOSB-RYUDHWBXSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738018430 599096113 /nfs/dbraw/zinc/09/61/13/599096113.db2.gz ARRYYQICRBQQQW-CABCVRRESA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738018430 599096116 /nfs/dbraw/zinc/09/61/16/599096116.db2.gz ARRYYQICRBQQQW-CABCVRRESA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1sccc1-c1nnn[n-]1 ZINC000738020217 599096714 /nfs/dbraw/zinc/09/67/14/599096714.db2.gz MEKCKVCBZVAOSB-NEPJUHHUSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1sccc1-c1nn[n-]n1 ZINC000738020217 599096717 /nfs/dbraw/zinc/09/67/17/599096717.db2.gz MEKCKVCBZVAOSB-NEPJUHHUSA-N -1 3 317.418 2.627 20 0 DFADHM CC(C)[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCS1 ZINC000820044494 599097158 /nfs/dbraw/zinc/09/71/58/599097158.db2.gz GPAUYOOSQYNUQI-GFCCVEGCSA-N -1 3 307.398 2.584 20 0 DFADHM CC(C)[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCS1 ZINC000820044494 599097161 /nfs/dbraw/zinc/09/71/61/599097161.db2.gz GPAUYOOSQYNUQI-GFCCVEGCSA-N -1 3 307.398 2.584 20 0 DFADHM Cc1nc2cc(Nc3cccc(F)c3-c3nnn[n-]3)ccc2n1C ZINC000822458123 599108502 /nfs/dbraw/zinc/10/85/02/599108502.db2.gz CUJYRRMINUAJIB-UHFFFAOYSA-N -1 3 323.335 2.945 20 0 DFADHM Cc1nc2cc(Nc3cccc(F)c3-c3nn[n-]n3)ccc2n1C ZINC000822458123 599108504 /nfs/dbraw/zinc/10/85/04/599108504.db2.gz CUJYRRMINUAJIB-UHFFFAOYSA-N -1 3 323.335 2.945 20 0 DFADHM CC(C)(C)c1nc(CSc2ccccc2-c2nnn[n-]2)no1 ZINC000735657968 599108891 /nfs/dbraw/zinc/10/88/91/599108891.db2.gz ZUVPAFYSEJOVRY-UHFFFAOYSA-N -1 3 316.390 2.840 20 0 DFADHM CC(C)(C)c1nc(CSc2ccccc2-c2nn[n-]n2)no1 ZINC000735657968 599108894 /nfs/dbraw/zinc/10/88/94/599108894.db2.gz ZUVPAFYSEJOVRY-UHFFFAOYSA-N -1 3 316.390 2.840 20 0 DFADHM CC(C)[C@@H](C)S[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820550141 599130848 /nfs/dbraw/zinc/13/08/48/599130848.db2.gz UVRHNWQURSSVBM-MNOVXSKESA-N -1 3 319.434 2.971 20 0 DFADHM CC(C)[C@@H](C)S[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820550141 599130850 /nfs/dbraw/zinc/13/08/50/599130850.db2.gz UVRHNWQURSSVBM-MNOVXSKESA-N -1 3 319.434 2.971 20 0 DFADHM CC(C)[C@@H](C)S[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820550181 599131023 /nfs/dbraw/zinc/13/10/23/599131023.db2.gz VKEFLHFBVLPBID-GHMZBOCLSA-N -1 3 319.434 2.971 20 0 DFADHM CC(C)[C@@H](C)S[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820550181 599131025 /nfs/dbraw/zinc/13/10/25/599131025.db2.gz VKEFLHFBVLPBID-GHMZBOCLSA-N -1 3 319.434 2.971 20 0 DFADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000735571266 599144409 /nfs/dbraw/zinc/14/44/09/599144409.db2.gz AVBFFPAZZXFWER-SECBINFHSA-N -1 3 306.341 2.731 20 0 DFADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000735571266 599144413 /nfs/dbraw/zinc/14/44/13/599144413.db2.gz AVBFFPAZZXFWER-SECBINFHSA-N -1 3 306.341 2.731 20 0 DFADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)OC(C)(C)C ZINC000736190596 599170156 /nfs/dbraw/zinc/17/01/56/599170156.db2.gz FVRVDFAJJYJREQ-QMMMGPOBSA-N -1 3 324.381 2.828 20 0 DFADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)OC(C)(C)C ZINC000736190596 599170159 /nfs/dbraw/zinc/17/01/59/599170159.db2.gz FVRVDFAJJYJREQ-QMMMGPOBSA-N -1 3 324.381 2.828 20 0 DFADHM Fc1cccc(F)c1[C@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737659910 599171512 /nfs/dbraw/zinc/17/15/12/599171512.db2.gz FPWRPMNVKKKOQD-JOYOIKCWSA-N -1 3 314.299 2.508 20 0 DFADHM Fc1cccc(F)c1[C@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737659910 599171513 /nfs/dbraw/zinc/17/15/13/599171513.db2.gz FPWRPMNVKKKOQD-JOYOIKCWSA-N -1 3 314.299 2.508 20 0 DFADHM Cc1csc(C(C)(C)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737455873 599181979 /nfs/dbraw/zinc/18/19/79/599181979.db2.gz ZNCVQTQKMMRNKV-UHFFFAOYSA-N -1 3 314.418 2.657 20 0 DFADHM CC(C)(C)CCCC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819906451 599182475 /nfs/dbraw/zinc/18/24/75/599182475.db2.gz HDBSANQHFNHMJR-UHFFFAOYSA-N -1 3 319.384 2.838 20 0 DFADHM CC(C)(C)CCCC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819906451 599182476 /nfs/dbraw/zinc/18/24/76/599182476.db2.gz HDBSANQHFNHMJR-UHFFFAOYSA-N -1 3 319.384 2.838 20 0 DFADHM CCOCCCSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821377430 599223399 /nfs/dbraw/zinc/22/33/99/599223399.db2.gz BWIHTZJGHBCRFK-UHFFFAOYSA-N -1 3 322.434 2.795 20 0 DFADHM CCc1ccc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736693098 599241851 /nfs/dbraw/zinc/24/18/51/599241851.db2.gz XLOHTVUBQVMHAQ-UHFFFAOYSA-N -1 3 322.368 2.715 20 0 DFADHM CCc1ccc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736693098 599241853 /nfs/dbraw/zinc/24/18/53/599241853.db2.gz XLOHTVUBQVMHAQ-UHFFFAOYSA-N -1 3 322.368 2.715 20 0 DFADHM CCSCC[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821460963 599242910 /nfs/dbraw/zinc/24/29/10/599242910.db2.gz HKZABSKXGZOBPD-SNVBAGLBSA-N -1 3 320.422 2.520 20 0 DFADHM CCSCC[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821460963 599242913 /nfs/dbraw/zinc/24/29/13/599242913.db2.gz HKZABSKXGZOBPD-SNVBAGLBSA-N -1 3 320.422 2.520 20 0 DFADHM CC[C@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820978868 607280485 /nfs/dbraw/zinc/28/04/85/607280485.db2.gz DPKYUKUAIFKOLQ-SMDDNHRTSA-N -1 3 314.393 2.875 20 0 DFADHM CC[C@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820978868 607280486 /nfs/dbraw/zinc/28/04/86/607280486.db2.gz DPKYUKUAIFKOLQ-SMDDNHRTSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@H]2C(C)C)cccc1-c1nnn[n-]1 ZINC000822084944 607281725 /nfs/dbraw/zinc/28/17/25/607281725.db2.gz TUBAQIDHDLXBBD-AWEZNQCLSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2CCC[C@H]2C(C)C)cccc1-c1nn[n-]n1 ZINC000822084944 607281726 /nfs/dbraw/zinc/28/17/26/607281726.db2.gz TUBAQIDHDLXBBD-AWEZNQCLSA-N -1 3 314.393 2.827 20 0 DFADHM CC(C)CCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000735811613 599252834 /nfs/dbraw/zinc/25/28/34/599252834.db2.gz NQWZMZZNZXFUQW-UHFFFAOYSA-N -1 3 316.796 2.948 20 0 DFADHM CC(C)CCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000735811613 599252835 /nfs/dbraw/zinc/25/28/35/599252835.db2.gz NQWZMZZNZXFUQW-UHFFFAOYSA-N -1 3 316.796 2.948 20 0 DFADHM Cc1c(NC(=O)N2C[C@H](C)CC2(C)C)cccc1-c1nnn[n-]1 ZINC000822084955 607288098 /nfs/dbraw/zinc/28/80/98/607288098.db2.gz TZGZBEOHMLJGEG-SNVBAGLBSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)N2C[C@H](C)CC2(C)C)cccc1-c1nn[n-]n1 ZINC000822084955 607288099 /nfs/dbraw/zinc/28/80/99/607288099.db2.gz TZGZBEOHMLJGEG-SNVBAGLBSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1c(NC(=O)NC[C@@H]2CC=CCC2)cccc1-c1nnn[n-]1 ZINC000822097359 607286856 /nfs/dbraw/zinc/28/68/56/607286856.db2.gz XHCMGVFVSURBFA-GFCCVEGCSA-N -1 3 312.377 2.653 20 0 DFADHM Cc1c(NC(=O)NC[C@@H]2CC=CCC2)cccc1-c1nn[n-]n1 ZINC000822097359 607286857 /nfs/dbraw/zinc/28/68/57/607286857.db2.gz XHCMGVFVSURBFA-GFCCVEGCSA-N -1 3 312.377 2.653 20 0 DFADHM CCCCN(CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821060316 607286946 /nfs/dbraw/zinc/28/69/46/607286946.db2.gz ADCXWQXHEBGTRC-UHFFFAOYSA-N -1 3 302.382 2.829 20 0 DFADHM CCCCN(CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821060316 607286947 /nfs/dbraw/zinc/28/69/47/607286947.db2.gz ADCXWQXHEBGTRC-UHFFFAOYSA-N -1 3 302.382 2.829 20 0 DFADHM Cc1c(NC(=O)N2[C@H](C)CC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822084557 607290088 /nfs/dbraw/zinc/29/00/88/607290088.db2.gz MYCUMUVPCXTSRK-AOOOYVTPSA-N -1 3 300.366 2.580 20 0 DFADHM Cc1c(NC(=O)N2[C@H](C)CC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822084557 607290089 /nfs/dbraw/zinc/29/00/89/607290089.db2.gz MYCUMUVPCXTSRK-AOOOYVTPSA-N -1 3 300.366 2.580 20 0 DFADHM CCS[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1C)C(C)C ZINC000821446941 607294638 /nfs/dbraw/zinc/29/46/38/607294638.db2.gz GEXPTTGUTBHTRD-CYBMUJFWSA-N -1 3 319.434 2.891 20 0 DFADHM CCS[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1C)C(C)C ZINC000821446941 607294639 /nfs/dbraw/zinc/29/46/39/607294639.db2.gz GEXPTTGUTBHTRD-CYBMUJFWSA-N -1 3 319.434 2.891 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)c2cccs2)cccc1-c1nnn[n-]1 ZINC000822061705 607294940 /nfs/dbraw/zinc/29/49/40/607294940.db2.gz VJUZOEKNSUWASN-JTQLQIEISA-N -1 3 313.386 2.979 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)c2cccs2)cccc1-c1nn[n-]n1 ZINC000822061705 607294941 /nfs/dbraw/zinc/29/49/41/607294941.db2.gz VJUZOEKNSUWASN-JTQLQIEISA-N -1 3 313.386 2.979 20 0 DFADHM O[C@@H]1CCCC[C@@H]1CCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000823706922 607306701 /nfs/dbraw/zinc/30/67/01/607306701.db2.gz RTBVRYFHWJZJEK-IAQYHMDHSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@H]1CCCC[C@@H]1CCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000823706921 607306736 /nfs/dbraw/zinc/30/67/36/607306736.db2.gz RTBVRYFHWJZJEK-ABAIWWIYSA-N -1 3 319.384 2.749 20 0 DFADHM O=C(Oc1cc(Cl)ccc1F)c1sccc1-c1nnn[n-]1 ZINC000738251410 599263278 /nfs/dbraw/zinc/26/32/78/599263278.db2.gz NQMYTTHAPDRLJS-UHFFFAOYSA-N -1 3 324.724 2.940 20 0 DFADHM Cc1cc(N(C)C)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000822206059 607308388 /nfs/dbraw/zinc/30/83/88/607308388.db2.gz SKGNJZICRREHGY-UHFFFAOYSA-N -1 3 314.418 2.915 20 0 DFADHM Cc1cc(N(C)C)ccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000822206059 607308389 /nfs/dbraw/zinc/30/83/89/607308389.db2.gz SKGNJZICRREHGY-UHFFFAOYSA-N -1 3 314.418 2.915 20 0 DFADHM COc1ccc(CNc2cc(F)ccc2C)cc1-c1nnn[n-]1 ZINC000821821702 607310716 /nfs/dbraw/zinc/31/07/16/607310716.db2.gz SACAJTIATBSWKQ-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(CNc2cc(F)ccc2C)cc1-c1nn[n-]n1 ZINC000821821702 607310717 /nfs/dbraw/zinc/31/07/17/607310717.db2.gz SACAJTIATBSWKQ-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM c1cc(CNc2ccc3c(c2)CCCO3)cc(-c2nnn[n-]2)c1 ZINC000823751390 607316433 /nfs/dbraw/zinc/31/64/33/607316433.db2.gz IKVTVIQPUSCENW-UHFFFAOYSA-N -1 3 307.357 2.804 20 0 DFADHM c1cc(CNc2ccc3c(c2)CCCO3)cc(-c2nn[n-]n2)c1 ZINC000823751390 607316434 /nfs/dbraw/zinc/31/64/34/607316434.db2.gz IKVTVIQPUSCENW-UHFFFAOYSA-N -1 3 307.357 2.804 20 0 DFADHM Clc1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000822579215 607305599 /nfs/dbraw/zinc/30/55/99/607305599.db2.gz XXHSAXHOVJVOOU-UHFFFAOYSA-N -1 3 309.116 2.756 20 0 DFADHM Clc1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000822579215 607305600 /nfs/dbraw/zinc/30/56/00/607305600.db2.gz XXHSAXHOVJVOOU-UHFFFAOYSA-N -1 3 309.116 2.756 20 0 DFADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc2c(c1)CCCO2 ZINC000823766698 607316687 /nfs/dbraw/zinc/31/66/87/607316687.db2.gz HSLSDWNDSIFBQC-UHFFFAOYSA-N -1 3 313.386 2.865 20 0 DFADHM CN(C(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736742887 599305197 /nfs/dbraw/zinc/30/51/97/599305197.db2.gz SXJRCGVWMQLPRL-UHFFFAOYSA-N -1 3 313.748 2.797 20 0 DFADHM CN(C(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736742887 599305199 /nfs/dbraw/zinc/30/51/99/599305199.db2.gz SXJRCGVWMQLPRL-UHFFFAOYSA-N -1 3 313.748 2.797 20 0 DFADHM FCCOc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822736846 607319113 /nfs/dbraw/zinc/31/91/13/607319113.db2.gz LBQCYNOKBYHYDB-UHFFFAOYSA-N -1 3 313.336 2.827 20 0 DFADHM FCCOc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822736846 607319114 /nfs/dbraw/zinc/31/91/14/607319114.db2.gz LBQCYNOKBYHYDB-UHFFFAOYSA-N -1 3 313.336 2.827 20 0 DFADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CC ZINC000736489367 599278256 /nfs/dbraw/zinc/27/82/56/599278256.db2.gz ZYWPDNKPCAIHRF-SNVBAGLBSA-N -1 3 302.382 2.673 20 0 DFADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nnc(C(C)C)o1 ZINC000737221852 599283862 /nfs/dbraw/zinc/28/38/62/599283862.db2.gz QAQAXPRVKPTOPY-UHFFFAOYSA-N -1 3 314.349 2.569 20 0 DFADHM O=C([O-])C1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000821511607 598120086 /nfs/dbraw/zinc/12/00/86/598120086.db2.gz LKNQZJBGQOQSNV-UHFFFAOYSA-N -1 3 303.280 2.724 20 0 DFADHM Cc1cn(Cc2cc(-c3ccc(F)cc3)no2)cc1-c1nnn[n-]1 ZINC000822385084 607331009 /nfs/dbraw/zinc/33/10/09/607331009.db2.gz WRIFTLNRWSCHKM-UHFFFAOYSA-N -1 3 324.319 2.819 20 0 DFADHM Cc1cn(Cc2cc(-c3ccc(F)cc3)no2)cc1-c1nn[n-]n1 ZINC000822385084 607331010 /nfs/dbraw/zinc/33/10/10/607331010.db2.gz WRIFTLNRWSCHKM-UHFFFAOYSA-N -1 3 324.319 2.819 20 0 DFADHM Cc1cn(Cc2ncc(-c3ccccc3C)o2)cc1-c1nnn[n-]1 ZINC000822389256 607331117 /nfs/dbraw/zinc/33/11/17/607331117.db2.gz QBJHOUMRAJOOES-UHFFFAOYSA-N -1 3 320.356 2.988 20 0 DFADHM Cc1cn(Cc2ncc(-c3ccccc3C)o2)cc1-c1nn[n-]n1 ZINC000822389256 607331118 /nfs/dbraw/zinc/33/11/18/607331118.db2.gz QBJHOUMRAJOOES-UHFFFAOYSA-N -1 3 320.356 2.988 20 0 DFADHM Fc1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000822747980 607332930 /nfs/dbraw/zinc/33/29/30/607332930.db2.gz AVZYCZZLMQUPKZ-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM COc1ccc([C@H](CCO)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000263374971 598204880 /nfs/dbraw/zinc/20/48/80/598204880.db2.gz AHABQBJWLNTUMR-KRWDZBQOSA-N -1 3 315.369 2.607 20 0 DFADHM CCC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000736431286 598234026 /nfs/dbraw/zinc/23/40/26/598234026.db2.gz FKVAGNRBOZZINZ-OAHLLOKOSA-N -1 3 322.372 2.533 20 0 DFADHM CCC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000736431286 598234027 /nfs/dbraw/zinc/23/40/27/598234027.db2.gz FKVAGNRBOZZINZ-OAHLLOKOSA-N -1 3 322.372 2.533 20 0 DFADHM COc1ccccc1CN(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737148908 598234426 /nfs/dbraw/zinc/23/44/26/598234426.db2.gz AWKNSNVXEAWCFN-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM Fc1cccc(OCCNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737665538 598242442 /nfs/dbraw/zinc/24/24/42/598242442.db2.gz RTFJXGDXWWPLGK-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM CC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1nc(C)cs1 ZINC000736369792 598244584 /nfs/dbraw/zinc/24/45/84/598244584.db2.gz NLJBBRNBNVPYGT-SNVBAGLBSA-N -1 3 301.379 2.590 20 0 DFADHM CC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000736369792 598244587 /nfs/dbraw/zinc/24/45/87/598244587.db2.gz NLJBBRNBNVPYGT-SNVBAGLBSA-N -1 3 301.379 2.590 20 0 DFADHM CC(C)COCCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735836711 598274881 /nfs/dbraw/zinc/27/48/81/598274881.db2.gz CQOJHIRUBHURCG-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM CC(C)COCCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735836711 598274882 /nfs/dbraw/zinc/27/48/82/598274882.db2.gz CQOJHIRUBHURCG-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM CC(C)CCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735811558 598276593 /nfs/dbraw/zinc/27/65/93/598276593.db2.gz LMUJVLHTRLSVJD-UHFFFAOYSA-N -1 3 319.413 2.591 20 0 DFADHM CC(C)CCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735811558 598276595 /nfs/dbraw/zinc/27/65/95/598276595.db2.gz LMUJVLHTRLSVJD-UHFFFAOYSA-N -1 3 319.413 2.591 20 0 DFADHM CC(C)SCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735921135 598313282 /nfs/dbraw/zinc/31/32/82/598313282.db2.gz KXZPDNUATQVJFG-UHFFFAOYSA-N -1 3 311.798 2.600 20 0 DFADHM CC(C)SCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735921135 598313283 /nfs/dbraw/zinc/31/32/83/598313283.db2.gz KXZPDNUATQVJFG-UHFFFAOYSA-N -1 3 311.798 2.600 20 0 DFADHM CCCCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736451254 598315282 /nfs/dbraw/zinc/31/52/82/598315282.db2.gz HZDXRAGISCNQCC-UHFFFAOYSA-N -1 3 324.841 2.997 20 0 DFADHM CCCCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736451254 598315284 /nfs/dbraw/zinc/31/52/84/598315284.db2.gz HZDXRAGISCNQCC-UHFFFAOYSA-N -1 3 324.841 2.997 20 0 DFADHM CC(C)[C@@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735707671 598318594 /nfs/dbraw/zinc/31/85/94/598318594.db2.gz JQLVGRIBVVKLFO-MRVPVSSYSA-N -1 3 324.841 2.851 20 0 DFADHM CC(C)[C@@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735707671 598318596 /nfs/dbraw/zinc/31/85/96/598318596.db2.gz JQLVGRIBVVKLFO-MRVPVSSYSA-N -1 3 324.841 2.851 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC000738232197 598361013 /nfs/dbraw/zinc/36/10/13/598361013.db2.gz IFPNZSWRWTZRQM-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000738232197 598361015 /nfs/dbraw/zinc/36/10/15/598361015.db2.gz IFPNZSWRWTZRQM-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000736315216 598414333 /nfs/dbraw/zinc/41/43/33/598414333.db2.gz QLOPJZPTLSVAEX-SNVBAGLBSA-N -1 3 319.434 2.652 20 0 DFADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000736315216 598414335 /nfs/dbraw/zinc/41/43/35/598414335.db2.gz QLOPJZPTLSVAEX-SNVBAGLBSA-N -1 3 319.434 2.652 20 0 DFADHM C[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000737196633 598418145 /nfs/dbraw/zinc/41/81/45/598418145.db2.gz VFIRPIMYEILHKR-NSHDSACASA-N -1 3 324.413 2.914 20 0 DFADHM C[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000737196633 598418146 /nfs/dbraw/zinc/41/81/46/598418146.db2.gz VFIRPIMYEILHKR-NSHDSACASA-N -1 3 324.413 2.914 20 0 DFADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCC[C@H]1C ZINC000736506418 598445943 /nfs/dbraw/zinc/44/59/43/598445943.db2.gz XZGXBRJBUWSFNM-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCC[C@H]1C ZINC000736506418 598445945 /nfs/dbraw/zinc/44/59/45/598445945.db2.gz XZGXBRJBUWSFNM-DOMZBBRYSA-N -1 3 313.405 2.908 20 0 DFADHM CCOc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000736625244 598446934 /nfs/dbraw/zinc/44/69/34/598446934.db2.gz LVJZMEHNTPZAEH-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCOc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000736625244 598446935 /nfs/dbraw/zinc/44/69/35/598446935.db2.gz LVJZMEHNTPZAEH-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCCC[C@H](CCC)OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736438624 598480477 /nfs/dbraw/zinc/48/04/77/598480477.db2.gz OJHLHEPENOCMED-LBPRGKRZSA-N -1 3 303.366 2.777 20 0 DFADHM CCCC[C@H](CCC)OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736438624 598480479 /nfs/dbraw/zinc/48/04/79/598480479.db2.gz OJHLHEPENOCMED-LBPRGKRZSA-N -1 3 303.366 2.777 20 0 DFADHM CC(C)(C)SCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735642783 598467837 /nfs/dbraw/zinc/46/78/37/598467837.db2.gz GGPWYNCEAFQOLP-UHFFFAOYSA-N -1 3 320.422 2.520 20 0 DFADHM CC(C)(C)SCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735642783 598467839 /nfs/dbraw/zinc/46/78/39/598467839.db2.gz GGPWYNCEAFQOLP-UHFFFAOYSA-N -1 3 320.422 2.520 20 0 DFADHM CCCC[C@@H](CCC)OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736438622 598480764 /nfs/dbraw/zinc/48/07/64/598480764.db2.gz OJHLHEPENOCMED-GFCCVEGCSA-N -1 3 303.366 2.777 20 0 DFADHM CCCC[C@@H](CCC)OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736438622 598480766 /nfs/dbraw/zinc/48/07/66/598480766.db2.gz OJHLHEPENOCMED-GFCCVEGCSA-N -1 3 303.366 2.777 20 0 DFADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)o1 ZINC000737238760 598489589 /nfs/dbraw/zinc/48/95/89/598489589.db2.gz SEEGQLOUSKBQCQ-SNVBAGLBSA-N -1 3 312.329 2.995 20 0 DFADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC000737238760 598489591 /nfs/dbraw/zinc/48/95/91/598489591.db2.gz SEEGQLOUSKBQCQ-SNVBAGLBSA-N -1 3 312.329 2.995 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000736151134 598490037 /nfs/dbraw/zinc/49/00/37/598490037.db2.gz KZTTYCLKSGPQPC-AEZGRPFRSA-N -1 3 310.313 2.777 20 0 DFADHM C[C@H](OC(=O)C=Cc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000736151134 598490039 /nfs/dbraw/zinc/49/00/39/598490039.db2.gz KZTTYCLKSGPQPC-AEZGRPFRSA-N -1 3 310.313 2.777 20 0 DFADHM O=C(Cc1cccc(Cl)c1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737970513 598495297 /nfs/dbraw/zinc/49/52/97/598495297.db2.gz WULAFSRUEVOODB-UHFFFAOYSA-N -1 3 314.732 2.668 20 0 DFADHM O=C(Cc1cccc(Cl)c1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737970513 598495298 /nfs/dbraw/zinc/49/52/98/598495298.db2.gz WULAFSRUEVOODB-UHFFFAOYSA-N -1 3 314.732 2.668 20 0 DFADHM Cc1csc(=Nc2ccccc2-c2nnn[n-]2)n1[C@H]1C[C@@H]1C ZINC000737456384 598497009 /nfs/dbraw/zinc/49/70/09/598497009.db2.gz FKGJZXSVMCLSRS-ZANVPECISA-N -1 3 312.402 2.851 20 0 DFADHM Cc1csc(=Nc2ccccc2-c2nn[n-]n2)n1[C@H]1C[C@@H]1C ZINC000737456384 598497010 /nfs/dbraw/zinc/49/70/10/598497010.db2.gz FKGJZXSVMCLSRS-ZANVPECISA-N -1 3 312.402 2.851 20 0 DFADHM Cc1csc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000737454933 598521626 /nfs/dbraw/zinc/52/16/26/598521626.db2.gz JOPFTPSHRLARAZ-ZETCQYMHSA-N -1 3 321.797 2.853 20 0 DFADHM Cc1csc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000737454933 598521627 /nfs/dbraw/zinc/52/16/27/598521627.db2.gz JOPFTPSHRLARAZ-ZETCQYMHSA-N -1 3 321.797 2.853 20 0 DFADHM Fc1cccc(OCCOc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000737662642 598546818 /nfs/dbraw/zinc/54/68/18/598546818.db2.gz CIRRNRKXDGVISD-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Fc1cccc(OCCOc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000737662642 598546820 /nfs/dbraw/zinc/54/68/20/598546820.db2.gz CIRRNRKXDGVISD-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM CCc1nc(COc2ccc(-c3nnn[n-]3)c(F)c2)cs1 ZINC000736703569 598549144 /nfs/dbraw/zinc/54/91/44/598549144.db2.gz BWZIQGLBJGDZBJ-UHFFFAOYSA-N -1 3 305.338 2.604 20 0 DFADHM CCc1nc(COc2ccc(-c3nn[n-]n3)c(F)c2)cs1 ZINC000736703569 598549146 /nfs/dbraw/zinc/54/91/46/598549146.db2.gz BWZIQGLBJGDZBJ-UHFFFAOYSA-N -1 3 305.338 2.604 20 0 DFADHM Fc1cc(OCc2ccc(Cl)nc2)ccc1-c1nnn[n-]1 ZINC000737653160 598550338 /nfs/dbraw/zinc/55/03/38/598550338.db2.gz QLJOVLOSGYAIQI-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1cc(OCc2ccc(Cl)nc2)ccc1-c1nn[n-]n1 ZINC000737653160 598550341 /nfs/dbraw/zinc/55/03/41/598550341.db2.gz QLJOVLOSGYAIQI-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM CCCCc1noc([C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736466541 598609868 /nfs/dbraw/zinc/60/98/68/598609868.db2.gz MSIZYNWEKZTFAC-JTQLQIEISA-N -1 3 314.349 2.732 20 0 DFADHM CC(C)COCCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735838469 598629818 /nfs/dbraw/zinc/62/98/18/598629818.db2.gz QNRVVCWHLXBMKI-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM CC(C)COCCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735838469 598629819 /nfs/dbraw/zinc/62/98/19/598629819.db2.gz QNRVVCWHLXBMKI-UHFFFAOYSA-N -1 3 309.801 2.995 20 0 DFADHM Clc1cc(-c2nnn[n-]2)ccc1Oc1ccnc(C2CC2)n1 ZINC000737561485 598637835 /nfs/dbraw/zinc/63/78/35/598637835.db2.gz FAMHLWJZPVDOOB-UHFFFAOYSA-N -1 3 314.736 2.980 20 0 DFADHM Clc1cc(-c2nn[n-]n2)ccc1Oc1ccnc(C2CC2)n1 ZINC000737561485 598637837 /nfs/dbraw/zinc/63/78/37/598637837.db2.gz FAMHLWJZPVDOOB-UHFFFAOYSA-N -1 3 314.736 2.980 20 0 DFADHM CSc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000030544974 598640694 /nfs/dbraw/zinc/64/06/94/598640694.db2.gz QYLLOQZCLUIWLJ-UHFFFAOYSA-N -1 3 311.370 2.841 20 0 DFADHM CSc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000030544974 598640692 /nfs/dbraw/zinc/64/06/92/598640692.db2.gz QYLLOQZCLUIWLJ-UHFFFAOYSA-N -1 3 311.370 2.841 20 0 DFADHM CCC[C@@H](C)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736424274 598653538 /nfs/dbraw/zinc/65/35/38/598653538.db2.gz PTOVWRAHVZFSCX-LLVKDONJSA-N -1 3 319.434 2.606 20 0 DFADHM CCC[C@@H](C)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736424274 598653540 /nfs/dbraw/zinc/65/35/40/598653540.db2.gz PTOVWRAHVZFSCX-LLVKDONJSA-N -1 3 319.434 2.606 20 0 DFADHM Cc1ncc(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737491694 598655304 /nfs/dbraw/zinc/65/53/04/598655304.db2.gz MWPIZQSTFANDJT-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM Cc1ncc(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737491694 598655305 /nfs/dbraw/zinc/65/53/05/598655305.db2.gz MWPIZQSTFANDJT-UHFFFAOYSA-N -1 3 320.809 2.921 20 0 DFADHM CN(C[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736792639 598656217 /nfs/dbraw/zinc/65/62/17/598656217.db2.gz GFIYUHFLQRDEAX-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CN(C[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736792639 598656219 /nfs/dbraw/zinc/65/62/19/598656219.db2.gz GFIYUHFLQRDEAX-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CN(C[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736792640 598656479 /nfs/dbraw/zinc/65/64/79/598656479.db2.gz GFIYUHFLQRDEAX-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CN(C[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736792640 598656480 /nfs/dbraw/zinc/65/64/80/598656480.db2.gz GFIYUHFLQRDEAX-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CCCCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736467128 598658418 /nfs/dbraw/zinc/65/84/18/598658418.db2.gz VLNURZCFTKHBCS-UHFFFAOYSA-N -1 3 322.372 2.857 20 0 DFADHM CCCCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736467128 598658420 /nfs/dbraw/zinc/65/84/20/598658420.db2.gz VLNURZCFTKHBCS-UHFFFAOYSA-N -1 3 322.372 2.857 20 0 DFADHM Clc1cc(NCCc2nccs2)ccc1-c1nnn[n-]1 ZINC000737565641 598668403 /nfs/dbraw/zinc/66/84/03/598668403.db2.gz NQUXQNHKENEWCP-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM Clc1cc(NCCc2nccs2)ccc1-c1nn[n-]n1 ZINC000737565641 598668405 /nfs/dbraw/zinc/66/84/05/598668405.db2.gz NQUXQNHKENEWCP-UHFFFAOYSA-N -1 3 306.782 2.631 20 0 DFADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736300264 598671986 /nfs/dbraw/zinc/67/19/86/598671986.db2.gz WRGKQVYOXVNOFB-ZBEGNZNMSA-N -1 3 319.368 2.530 20 0 DFADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736300264 598671988 /nfs/dbraw/zinc/67/19/88/598671988.db2.gz WRGKQVYOXVNOFB-ZBEGNZNMSA-N -1 3 319.368 2.530 20 0 DFADHM COc1cc(C)ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737039320 598674444 /nfs/dbraw/zinc/67/44/44/598674444.db2.gz DYJYSXAAFDMSFM-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1cc(C)ccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737039320 598674446 /nfs/dbraw/zinc/67/44/46/598674446.db2.gz DYJYSXAAFDMSFM-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM C[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000736290962 598707745 /nfs/dbraw/zinc/70/77/45/598707745.db2.gz SLQWTPFOXXKRDC-LBPRGKRZSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000736290962 598707746 /nfs/dbraw/zinc/70/77/46/598707746.db2.gz SLQWTPFOXXKRDC-LBPRGKRZSA-N -1 3 307.357 2.654 20 0 DFADHM CC[C@H](C)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736327291 598735230 /nfs/dbraw/zinc/73/52/30/598735230.db2.gz QEXMPNWNRNIGIM-LBPRGKRZSA-N -1 3 318.377 2.758 20 0 DFADHM CC[C@H](C)OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736327291 598735232 /nfs/dbraw/zinc/73/52/32/598735232.db2.gz QEXMPNWNRNIGIM-LBPRGKRZSA-N -1 3 318.377 2.758 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)C1(c2ccccc2)CCC1 ZINC000738251828 598783393 /nfs/dbraw/zinc/78/33/93/598783393.db2.gz SIPYJUMEEHQLKK-UHFFFAOYSA-N -1 3 320.352 2.894 20 0 DFADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)C1(c2ccccc2)CCC1 ZINC000738251828 598783394 /nfs/dbraw/zinc/78/33/94/598783394.db2.gz SIPYJUMEEHQLKK-UHFFFAOYSA-N -1 3 320.352 2.894 20 0 DFADHM FC(F)(F)COCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737628611 598793529 /nfs/dbraw/zinc/79/35/29/598793529.db2.gz YOYLVJQEQGBYSR-UHFFFAOYSA-N -1 3 321.690 2.511 20 0 DFADHM FC(F)(F)COCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737628611 598793530 /nfs/dbraw/zinc/79/35/30/598793530.db2.gz YOYLVJQEQGBYSR-UHFFFAOYSA-N -1 3 321.690 2.511 20 0 DFADHM CC(C)[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735700003 598803584 /nfs/dbraw/zinc/80/35/84/598803584.db2.gz DTXKNXBCSKHZDG-SNVBAGLBSA-N -1 3 304.398 2.654 20 0 DFADHM CC(C)[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735700003 598803586 /nfs/dbraw/zinc/80/35/86/598803586.db2.gz DTXKNXBCSKHZDG-SNVBAGLBSA-N -1 3 304.398 2.654 20 0 DFADHM O=C(O[C@@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738221536 598799789 /nfs/dbraw/zinc/79/97/89/598799789.db2.gz XHXTZRXUHOVTLD-MRXNPFEDSA-N -1 3 320.352 2.581 20 0 DFADHM O=C(O[C@@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738221536 598799791 /nfs/dbraw/zinc/79/97/91/598799791.db2.gz XHXTZRXUHOVTLD-MRXNPFEDSA-N -1 3 320.352 2.581 20 0 DFADHM CC[C@H](OC1CCCC1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736375497 598802447 /nfs/dbraw/zinc/80/24/47/598802447.db2.gz HNZRJYGBUWKOFF-NSHDSACASA-N -1 3 321.406 2.605 20 0 DFADHM CC[C@H](OC1CCCC1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736375497 598802448 /nfs/dbraw/zinc/80/24/48/598802448.db2.gz HNZRJYGBUWKOFF-NSHDSACASA-N -1 3 321.406 2.605 20 0 DFADHM CCc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736701838 599326257 /nfs/dbraw/zinc/32/62/57/599326257.db2.gz ILADPPOGLCEVDT-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM CCc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736701838 599326260 /nfs/dbraw/zinc/32/62/60/599326260.db2.gz ILADPPOGLCEVDT-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM CCCNC(=O)[C@@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736479119 599331034 /nfs/dbraw/zinc/33/10/34/599331034.db2.gz APZJKWRTSADEPG-GHMZBOCLSA-N -1 3 319.434 2.576 20 0 DFADHM CCCNC(=O)[C@@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736479119 599331032 /nfs/dbraw/zinc/33/10/32/599331032.db2.gz APZJKWRTSADEPG-GHMZBOCLSA-N -1 3 319.434 2.576 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736237475 599341410 /nfs/dbraw/zinc/34/14/10/599341410.db2.gz PKMNLFAOUJEUKF-KCPJHIHWSA-N -1 3 311.389 2.660 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736237475 599341412 /nfs/dbraw/zinc/34/14/12/599341412.db2.gz PKMNLFAOUJEUKF-KCPJHIHWSA-N -1 3 311.389 2.660 20 0 DFADHM CC[C@@H](C[C@H](C)CO)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820882633 599360143 /nfs/dbraw/zinc/36/01/43/599360143.db2.gz WDVWVCRWTXCOOG-UWVGGRQHSA-N -1 3 309.801 2.729 20 0 DFADHM C[C@H](Nc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461502 599359958 /nfs/dbraw/zinc/35/99/58/599359958.db2.gz LAXASFFRKVMKIJ-NSHDSACASA-N -1 3 323.356 2.811 20 0 DFADHM C[C@H](Nc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461502 599359960 /nfs/dbraw/zinc/35/99/60/599359960.db2.gz LAXASFFRKVMKIJ-NSHDSACASA-N -1 3 323.356 2.811 20 0 DFADHM CC[C@@H](C[C@H](C)CO)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820882633 599360146 /nfs/dbraw/zinc/36/01/46/599360146.db2.gz WDVWVCRWTXCOOG-UWVGGRQHSA-N -1 3 309.801 2.729 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1Cn1cc(-c2ccccc2)cn1 ZINC000737651513 599370833 /nfs/dbraw/zinc/37/08/33/599370833.db2.gz SPXUSZKDAWWSPT-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1Cn1cc(-c2ccccc2)cn1 ZINC000737651513 599370836 /nfs/dbraw/zinc/37/08/36/599370836.db2.gz SPXUSZKDAWWSPT-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM CC(C)CCCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820072534 599405827 /nfs/dbraw/zinc/40/58/27/599405827.db2.gz IWNQHDCTZBYKNT-GFCCVEGCSA-N -1 3 316.409 2.663 20 0 DFADHM CC(C)CCCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820072534 599405831 /nfs/dbraw/zinc/40/58/31/599405831.db2.gz IWNQHDCTZBYKNT-GFCCVEGCSA-N -1 3 316.409 2.663 20 0 DFADHM Cc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000737392969 599414763 /nfs/dbraw/zinc/41/47/63/599414763.db2.gz COOLZLGQTNZGFL-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000737392969 599414766 /nfs/dbraw/zinc/41/47/66/599414766.db2.gz COOLZLGQTNZGFL-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CO[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)C(F)(F)F ZINC000736959354 599439905 /nfs/dbraw/zinc/43/99/05/599439905.db2.gz BKCYCCAVPNESSQ-SECBINFHSA-N -1 3 321.690 2.509 20 0 DFADHM CO[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)C(F)(F)F ZINC000736959354 599439907 /nfs/dbraw/zinc/43/99/07/599439907.db2.gz BKCYCCAVPNESSQ-SECBINFHSA-N -1 3 321.690 2.509 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1noc2c1CCCC2 ZINC000737221855 599445777 /nfs/dbraw/zinc/44/57/77/599445777.db2.gz QCQRPQKRXWXEHH-UHFFFAOYSA-N -1 3 311.345 2.621 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1c(F)cccc1F ZINC000822761519 599456972 /nfs/dbraw/zinc/45/69/72/599456972.db2.gz ODTYFDPEOXIOCV-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM COc1ccccc1CN(C)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821898424 599465692 /nfs/dbraw/zinc/46/56/92/599465692.db2.gz OIVIWDGMTRKZHE-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM COc1ccccc1CN(C)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821898424 599465693 /nfs/dbraw/zinc/46/56/93/599465693.db2.gz OIVIWDGMTRKZHE-UHFFFAOYSA-N -1 3 313.336 2.651 20 0 DFADHM COc1cccc(CCNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821867713 599481057 /nfs/dbraw/zinc/48/10/57/599481057.db2.gz KGTNSIXRLCXERA-UHFFFAOYSA-N -1 3 313.336 2.669 20 0 DFADHM COc1cccc(CCNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821867713 599481058 /nfs/dbraw/zinc/48/10/58/599481058.db2.gz KGTNSIXRLCXERA-UHFFFAOYSA-N -1 3 313.336 2.669 20 0 DFADHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000820728486 599513294 /nfs/dbraw/zinc/51/32/94/599513294.db2.gz WUWUKTAUFIIFNH-SECBINFHSA-N -1 3 314.780 2.915 20 0 DFADHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000820728486 599513297 /nfs/dbraw/zinc/51/32/97/599513297.db2.gz WUWUKTAUFIIFNH-SECBINFHSA-N -1 3 314.780 2.915 20 0 DFADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CC[C@@H](C)C3)c2c1 ZINC000822195520 599513826 /nfs/dbraw/zinc/51/38/26/599513826.db2.gz USCNOUQADNUTJO-SNVBAGLBSA-N -1 3 308.389 2.878 20 0 DFADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CC[C@@H](C)C3)c2c1 ZINC000822195520 599513827 /nfs/dbraw/zinc/51/38/27/599513827.db2.gz USCNOUQADNUTJO-SNVBAGLBSA-N -1 3 308.389 2.878 20 0 DFADHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000820728797 599513963 /nfs/dbraw/zinc/51/39/63/599513963.db2.gz YHZZSRQFUMWVSH-QMMMGPOBSA-N -1 3 316.315 2.539 20 0 DFADHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC000820728797 599513965 /nfs/dbraw/zinc/51/39/65/599513965.db2.gz YHZZSRQFUMWVSH-QMMMGPOBSA-N -1 3 316.315 2.539 20 0 DFADHM C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820314871 599521190 /nfs/dbraw/zinc/52/11/90/599521190.db2.gz LPYMMIPAOCCTHX-GHMZBOCLSA-N -1 3 301.394 2.726 20 0 DFADHM C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820314871 599521192 /nfs/dbraw/zinc/52/11/92/599521192.db2.gz LPYMMIPAOCCTHX-GHMZBOCLSA-N -1 3 301.394 2.726 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC000737422792 599526672 /nfs/dbraw/zinc/52/66/72/599526672.db2.gz OCFDGDCFOVJETK-UONOGXRCSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC000737422792 599526674 /nfs/dbraw/zinc/52/66/74/599526674.db2.gz OCFDGDCFOVJETK-UONOGXRCSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1cccnc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822369322 599528611 /nfs/dbraw/zinc/52/86/11/599528611.db2.gz GNWKPGMIRWZOMV-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cccnc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822369322 599528614 /nfs/dbraw/zinc/52/86/14/599528614.db2.gz GNWKPGMIRWZOMV-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cccc2c1CCN(c1ccc(F)cc1-c1nnn[n-]1)C2 ZINC000822341029 599528908 /nfs/dbraw/zinc/52/89/08/599528908.db2.gz RHUCVOZOCGLQGA-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1cccc2c1CCN(c1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000822341029 599528910 /nfs/dbraw/zinc/52/89/10/599528910.db2.gz RHUCVOZOCGLQGA-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737420213 599529298 /nfs/dbraw/zinc/52/92/98/599529298.db2.gz DJJINCWSLMJAID-HIFRSBDPSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737420213 599529299 /nfs/dbraw/zinc/52/92/99/599529299.db2.gz DJJINCWSLMJAID-HIFRSBDPSA-N -1 3 320.400 2.953 20 0 DFADHM C[C@@H](NC(=O)CSC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820335401 599531635 /nfs/dbraw/zinc/53/16/35/599531635.db2.gz XXZKIASFXNBRPV-SNVBAGLBSA-N -1 3 319.434 2.576 20 0 DFADHM C[C@@H](NC(=O)CSC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820335401 599531637 /nfs/dbraw/zinc/53/16/37/599531637.db2.gz XXZKIASFXNBRPV-SNVBAGLBSA-N -1 3 319.434 2.576 20 0 DFADHM Cc1ccc(CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234932 599532065 /nfs/dbraw/zinc/53/20/65/599532065.db2.gz MAVTUMGUPKWKHA-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1ccc(CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234932 599532068 /nfs/dbraw/zinc/53/20/68/599532068.db2.gz MAVTUMGUPKWKHA-ZDUSSCGKSA-N -1 3 321.384 2.595 20 0 DFADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735572141 599538877 /nfs/dbraw/zinc/53/88/77/599538877.db2.gz RZQUDYOSZUVORB-SECBINFHSA-N -1 3 300.343 2.637 20 0 DFADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735572141 599538880 /nfs/dbraw/zinc/53/88/80/599538880.db2.gz RZQUDYOSZUVORB-SECBINFHSA-N -1 3 300.343 2.637 20 0 DFADHM C[C@H](NC(=O)CCC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736101223 599542208 /nfs/dbraw/zinc/54/22/08/599542208.db2.gz MMUIJDXUVMGBBS-NSHDSACASA-N -1 3 301.394 2.870 20 0 DFADHM C[C@H](NC(=O)CCC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736101223 599542211 /nfs/dbraw/zinc/54/22/11/599542211.db2.gz MMUIJDXUVMGBBS-NSHDSACASA-N -1 3 301.394 2.870 20 0 DFADHM C[C@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000735511933 599543155 /nfs/dbraw/zinc/54/31/55/599543155.db2.gz IIKVIUHOWAGCON-JTQLQIEISA-N -1 3 313.386 2.695 20 0 DFADHM C[C@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000735511933 599543156 /nfs/dbraw/zinc/54/31/56/599543156.db2.gz IIKVIUHOWAGCON-JTQLQIEISA-N -1 3 313.386 2.695 20 0 DFADHM C[C@@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000735513404 599543250 /nfs/dbraw/zinc/54/32/50/599543250.db2.gz NBFUNAIOECEOOL-SNVBAGLBSA-N -1 3 313.386 2.695 20 0 DFADHM C[C@@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000735513404 599543252 /nfs/dbraw/zinc/54/32/52/599543252.db2.gz NBFUNAIOECEOOL-SNVBAGLBSA-N -1 3 313.386 2.695 20 0 DFADHM C[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000735559976 599544352 /nfs/dbraw/zinc/54/43/52/599544352.db2.gz NYCRNBKEFUJDNW-QMMMGPOBSA-N -1 3 317.349 2.810 20 0 DFADHM C[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000735559976 599544355 /nfs/dbraw/zinc/54/43/55/599544355.db2.gz NYCRNBKEFUJDNW-QMMMGPOBSA-N -1 3 317.349 2.810 20 0 DFADHM CN(CCc1ccccc1F)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821605045 599547260 /nfs/dbraw/zinc/54/72/60/599547260.db2.gz RXTAUHTUSQJWMO-UHFFFAOYSA-N -1 3 315.327 2.824 20 0 DFADHM CN(CCc1ccccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821605045 599547263 /nfs/dbraw/zinc/54/72/63/599547263.db2.gz RXTAUHTUSQJWMO-UHFFFAOYSA-N -1 3 315.327 2.824 20 0 DFADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736335594 599548319 /nfs/dbraw/zinc/54/83/19/599548319.db2.gz ZBYGBVLILKYCBW-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736335594 599548321 /nfs/dbraw/zinc/54/83/21/599548321.db2.gz ZBYGBVLILKYCBW-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CC[C@@H](C)[C@](C)(O)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820859651 599551944 /nfs/dbraw/zinc/55/19/44/599551944.db2.gz GGTCHKZKULYELC-YMTOWFKASA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@@H](C)[C@](C)(O)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820859651 599551945 /nfs/dbraw/zinc/55/19/45/599551945.db2.gz GGTCHKZKULYELC-YMTOWFKASA-N -1 3 309.801 2.729 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000823308450 599554164 /nfs/dbraw/zinc/55/41/64/599554164.db2.gz AVIQDEJQBAXJFD-RISCZKNCSA-N -1 3 312.377 2.663 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000823308450 599554166 /nfs/dbraw/zinc/55/41/66/599554166.db2.gz AVIQDEJQBAXJFD-RISCZKNCSA-N -1 3 312.377 2.663 20 0 DFADHM CC(C)n1cc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000820456942 599554305 /nfs/dbraw/zinc/55/43/05/599554305.db2.gz XPDHBMQPZWMFLO-SNVBAGLBSA-N -1 3 315.356 2.956 20 0 DFADHM CC(C)n1cc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000820456942 599554306 /nfs/dbraw/zinc/55/43/06/599554306.db2.gz XPDHBMQPZWMFLO-SNVBAGLBSA-N -1 3 315.356 2.956 20 0 DFADHM C[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)Oc1ccccc1 ZINC000820281904 599557037 /nfs/dbraw/zinc/55/70/37/599557037.db2.gz ZBDPZTPUXIIFKH-LLVKDONJSA-N -1 3 313.336 2.885 20 0 DFADHM C[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)Oc1ccccc1 ZINC000820281904 599557038 /nfs/dbraw/zinc/55/70/38/599557038.db2.gz ZBDPZTPUXIIFKH-LLVKDONJSA-N -1 3 313.336 2.885 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1NCCCc1ccccn1 ZINC000822582156 607384288 /nfs/dbraw/zinc/38/42/88/607384288.db2.gz RCBFIIUSJCNDDC-UHFFFAOYSA-N -1 3 314.780 2.960 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1NCCCc1ccccn1 ZINC000822582156 607384290 /nfs/dbraw/zinc/38/42/90/607384290.db2.gz RCBFIIUSJCNDDC-UHFFFAOYSA-N -1 3 314.780 2.960 20 0 DFADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC000735571353 599607895 /nfs/dbraw/zinc/60/78/95/599607895.db2.gz BWNTYKGEILWQQN-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000735571353 599607897 /nfs/dbraw/zinc/60/78/97/599607897.db2.gz BWNTYKGEILWQQN-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@H](c1cccs1)[S@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736202682 599618730 /nfs/dbraw/zinc/61/87/30/599618730.db2.gz JIHNQPGTZJWJPG-LADRHHBVSA-N -1 3 318.427 2.938 20 0 DFADHM C[C@H](c1cccs1)[S@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736202682 599618731 /nfs/dbraw/zinc/61/87/31/599618731.db2.gz JIHNQPGTZJWJPG-LADRHHBVSA-N -1 3 318.427 2.938 20 0 DFADHM CCC[C@@H](C)C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000821016783 599624624 /nfs/dbraw/zinc/62/46/24/599624624.db2.gz ZULLFRUFFYRUQZ-VXGBXAGGSA-N -1 3 318.377 2.613 20 0 DFADHM CCC[C@@H](C)C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000821016783 599624625 /nfs/dbraw/zinc/62/46/25/599624625.db2.gz ZULLFRUFFYRUQZ-VXGBXAGGSA-N -1 3 318.377 2.613 20 0 DFADHM C[C@@H]1CC(OC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000820649357 599625365 /nfs/dbraw/zinc/62/53/65/599625365.db2.gz LDHBLHIFRHVVOU-QWRGUYRKSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H]1CC(OC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000820649357 599625366 /nfs/dbraw/zinc/62/53/66/599625366.db2.gz LDHBLHIFRHVVOU-QWRGUYRKSA-N -1 3 300.362 2.848 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)C(F)(F)F)s1 ZINC000821466668 599630484 /nfs/dbraw/zinc/63/04/84/599630484.db2.gz YSNBOWYQLSNAJQ-YFKPBYRVSA-N -1 3 319.312 2.628 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)C(F)(F)F)s1 ZINC000821466668 599630485 /nfs/dbraw/zinc/63/04/85/599630485.db2.gz YSNBOWYQLSNAJQ-YFKPBYRVSA-N -1 3 319.312 2.628 20 0 DFADHM CC=CC=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820833159 599632802 /nfs/dbraw/zinc/63/28/02/599632802.db2.gz SJTRMHFSSODJKU-IAROGAJJSA-N -1 3 323.278 2.956 20 0 DFADHM CC=CC=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820833159 599632803 /nfs/dbraw/zinc/63/28/03/599632803.db2.gz SJTRMHFSSODJKU-IAROGAJJSA-N -1 3 323.278 2.956 20 0 DFADHM C[C@H]1COc2ccccc2N1Cc1cccc(-c2nnn[n-]2)c1 ZINC000820813408 599643019 /nfs/dbraw/zinc/64/30/19/599643019.db2.gz GJSYYHWYFWCAFI-LBPRGKRZSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@H]1COc2ccccc2N1Cc1cccc(-c2nn[n-]n2)c1 ZINC000820813408 599643020 /nfs/dbraw/zinc/64/30/20/599643020.db2.gz GJSYYHWYFWCAFI-LBPRGKRZSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820690830 599663829 /nfs/dbraw/zinc/66/38/29/599663829.db2.gz SMYCYRYSNVYZKO-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CCC[C@@H](C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820690830 599663828 /nfs/dbraw/zinc/66/38/28/599663828.db2.gz SMYCYRYSNVYZKO-WDEREUQCSA-N -1 3 318.352 2.875 20 0 DFADHM CSc1ccc(F)cc1CNc1ncccc1-c1nnn[n-]1 ZINC000821984316 599686800 /nfs/dbraw/zinc/68/68/00/599686800.db2.gz MGWRLVBIDDENKD-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM CSc1ccc(F)cc1CNc1ncccc1-c1nn[n-]n1 ZINC000821984316 599686801 /nfs/dbraw/zinc/68/68/01/599686801.db2.gz MGWRLVBIDDENKD-UHFFFAOYSA-N -1 3 316.365 2.735 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@H](CC(C)C)C2)n1 ZINC000822191713 599687002 /nfs/dbraw/zinc/68/70/02/599687002.db2.gz OZZCNCHDBZTMGQ-CYBMUJFWSA-N -1 3 300.410 2.751 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@H](CC(C)C)C2)n1 ZINC000822191713 599687003 /nfs/dbraw/zinc/68/70/03/599687003.db2.gz OZZCNCHDBZTMGQ-CYBMUJFWSA-N -1 3 300.410 2.751 20 0 DFADHM CO[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)C(C)(C)C ZINC000821677388 599687387 /nfs/dbraw/zinc/68/73/87/599687387.db2.gz VZDWUWVGZSHCTC-LBPRGKRZSA-N -1 3 309.801 2.993 20 0 DFADHM CO[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)C(C)(C)C ZINC000821677388 599687388 /nfs/dbraw/zinc/68/73/88/599687388.db2.gz VZDWUWVGZSHCTC-LBPRGKRZSA-N -1 3 309.801 2.993 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820967914 599693266 /nfs/dbraw/zinc/69/32/66/599693266.db2.gz YNJBWMBDLHNHSI-GXSJLCMTSA-N -1 3 318.356 2.658 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820967914 599693267 /nfs/dbraw/zinc/69/32/67/599693267.db2.gz YNJBWMBDLHNHSI-GXSJLCMTSA-N -1 3 318.356 2.658 20 0 DFADHM CC(C)[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N1CCCCC1 ZINC000736348083 599723500 /nfs/dbraw/zinc/72/35/00/599723500.db2.gz SGGBHPHOPOJDET-OAHLLOKOSA-N -1 3 304.390 2.834 20 0 DFADHM CC(C)[C@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)N1CCCCC1 ZINC000736349437 599728255 /nfs/dbraw/zinc/72/82/55/599728255.db2.gz KMFDRFKNHOUNJI-QGZVFWFLSA-N -1 3 318.417 2.763 20 0 DFADHM CCC1(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CC1 ZINC000820945285 607400995 /nfs/dbraw/zinc/40/09/95/607400995.db2.gz QTXNPIBXOHAGDV-UHFFFAOYSA-N -1 3 315.377 2.783 20 0 DFADHM CCC1(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CC1 ZINC000820945285 607400997 /nfs/dbraw/zinc/40/09/97/607400997.db2.gz QTXNPIBXOHAGDV-UHFFFAOYSA-N -1 3 315.377 2.783 20 0 DFADHM COc1ccc([C@H](NCc2ccnc(Cl)c2)C(=O)[O-])cc1 ZINC000737970609 599860701 /nfs/dbraw/zinc/86/07/01/599860701.db2.gz NBUGDRLCIOMVLK-AWEZNQCLSA-N -1 3 306.749 2.659 20 0 DFADHM O=C([O-])c1cccc(NC(=O)CN2CCC[C@H]2C2CCC2)c1 ZINC000739284895 599874778 /nfs/dbraw/zinc/87/47/78/599874778.db2.gz YYFJDXYIRBZORV-HNNXBMFYSA-N -1 3 302.374 2.588 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(Cl)c[nH]1 ZINC000826253808 607405066 /nfs/dbraw/zinc/40/50/66/607405066.db2.gz FQVLBVYRTAEBON-UHFFFAOYSA-N -1 3 317.736 2.514 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(Cl)c[nH]1 ZINC000826253808 607405068 /nfs/dbraw/zinc/40/50/68/607405068.db2.gz FQVLBVYRTAEBON-UHFFFAOYSA-N -1 3 317.736 2.514 20 0 DFADHM Cc1cscc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826320706 607414935 /nfs/dbraw/zinc/41/49/35/607414935.db2.gz AQICGDBYGZARKC-UHFFFAOYSA-N -1 3 321.312 2.767 20 0 DFADHM Cc1cscc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826320706 607414936 /nfs/dbraw/zinc/41/49/36/607414936.db2.gz AQICGDBYGZARKC-UHFFFAOYSA-N -1 3 321.312 2.767 20 0 DFADHM CC(C)c1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000820192604 607422421 /nfs/dbraw/zinc/42/24/21/607422421.db2.gz VYHRPRKEDFOLCR-UHFFFAOYSA-N -1 3 323.356 2.742 20 0 DFADHM CC(C)c1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000820192604 607422423 /nfs/dbraw/zinc/42/24/23/607422423.db2.gz VYHRPRKEDFOLCR-UHFFFAOYSA-N -1 3 323.356 2.742 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000736760301 600332387 /nfs/dbraw/zinc/33/23/87/600332387.db2.gz BZEJQIUSGOUREV-UPJWGTAASA-N -1 3 319.405 2.654 20 0 DFADHM CC(C)[C@@H]1CCCCN1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736394486 600333733 /nfs/dbraw/zinc/33/37/33/600333733.db2.gz HNNNRMLVRKPNLQ-HNNXBMFYSA-N -1 3 318.417 2.858 20 0 DFADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000738290386 600373836 /nfs/dbraw/zinc/37/38/36/600373836.db2.gz AKYNUPFGQBRTPP-MWLCHTKSSA-N -1 3 312.797 2.628 20 0 DFADHM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1)C(=O)[O-] ZINC000736572806 600374590 /nfs/dbraw/zinc/37/45/90/600374590.db2.gz SAYODQQCCOQHBA-STQMWFEESA-N -1 3 314.385 2.819 20 0 DFADHM C[C@H](CN(C)[C@H](C)C(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000263358401 600375594 /nfs/dbraw/zinc/37/55/94/600375594.db2.gz RLHGIXUOGARYEY-CHWSQXEVSA-N -1 3 314.385 2.819 20 0 DFADHM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000263358404 600376213 /nfs/dbraw/zinc/37/62/13/600376213.db2.gz RLHGIXUOGARYEY-STQMWFEESA-N -1 3 314.385 2.819 20 0 DFADHM COC(=O)c1ccc(CN(C)Cc2ccccc2C(=O)[O-])cc1 ZINC000737697088 600556570 /nfs/dbraw/zinc/55/65/70/600556570.db2.gz ODQOIACPHADAFC-UHFFFAOYSA-N -1 3 313.353 2.803 20 0 DFADHM Fc1cc2nc(-c3ccc(-c4nnn[n-]4)cc3F)[nH]c2cc1F ZINC000822753995 607458430 /nfs/dbraw/zinc/45/84/30/607458430.db2.gz VQBGASMRTQIXFG-UHFFFAOYSA-N -1 3 316.246 2.827 20 0 DFADHM Fc1cc2nc(-c3ccc(-c4nn[n-]n4)cc3F)[nH]c2cc1F ZINC000822753995 607458431 /nfs/dbraw/zinc/45/84/31/607458431.db2.gz VQBGASMRTQIXFG-UHFFFAOYSA-N -1 3 316.246 2.827 20 0 DFADHM 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ZINC000821611002 606078806 /nfs/dbraw/zinc/07/88/06/606078806.db2.gz NJONPCBIGIAZDJ-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000821611002 606078807 /nfs/dbraw/zinc/07/88/07/606078807.db2.gz NJONPCBIGIAZDJ-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CC(C)c1ccccc1OCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000820198444 606082115 /nfs/dbraw/zinc/08/21/15/606082115.db2.gz VYIWUGCTHSEQBY-UHFFFAOYSA-N -1 3 324.388 2.876 20 0 DFADHM CC(C)c1ccccc1OCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000820198444 606082118 /nfs/dbraw/zinc/08/21/18/606082118.db2.gz VYIWUGCTHSEQBY-UHFFFAOYSA-N -1 3 324.388 2.876 20 0 DFADHM Fc1ccccc1C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822795464 606088202 /nfs/dbraw/zinc/08/82/02/606088202.db2.gz BGQDXRJHHWEETD-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1ccccc1C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000822795464 606088207 /nfs/dbraw/zinc/08/82/07/606088207.db2.gz BGQDXRJHHWEETD-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM COC1CCC(CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821679747 606103301 /nfs/dbraw/zinc/10/33/01/606103301.db2.gz LECGAIPTGUDUPE-UHFFFAOYSA-N -1 3 305.357 2.623 20 0 DFADHM COC1CCC(CNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821679747 606103303 /nfs/dbraw/zinc/10/33/03/606103303.db2.gz LECGAIPTGUDUPE-UHFFFAOYSA-N -1 3 305.357 2.623 20 0 DFADHM CCS[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000821456901 606105697 /nfs/dbraw/zinc/10/56/97/606105697.db2.gz SKRCRQLZKJKCON-NWDGAFQWSA-N -1 3 304.423 2.738 20 0 DFADHM CCS[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000821456901 606105699 /nfs/dbraw/zinc/10/56/99/606105699.db2.gz SKRCRQLZKJKCON-NWDGAFQWSA-N -1 3 304.423 2.738 20 0 DFADHM CCN(Cc1ccoc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821230725 606124191 /nfs/dbraw/zinc/12/41/91/606124191.db2.gz ONFOVDBBWLYLBX-UHFFFAOYSA-N -1 3 305.288 2.764 20 0 DFADHM CCN(Cc1ccoc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821230725 606124192 /nfs/dbraw/zinc/12/41/92/606124192.db2.gz ONFOVDBBWLYLBX-UHFFFAOYSA-N -1 3 305.288 2.764 20 0 DFADHM Cc1cscc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000822414646 606132577 /nfs/dbraw/zinc/13/25/77/606132577.db2.gz OHHQBCYGGOPWGL-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1cscc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000822414646 606132578 /nfs/dbraw/zinc/13/25/78/606132578.db2.gz OHHQBCYGGOPWGL-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1cc(C)c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000822193941 606140343 /nfs/dbraw/zinc/14/03/43/606140343.db2.gz AUPIDTVCXSFZNL-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C)c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000822193941 606140345 /nfs/dbraw/zinc/14/03/45/606140345.db2.gz AUPIDTVCXSFZNL-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1ccc(C)c([S@@](=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822231853 606156105 /nfs/dbraw/zinc/15/61/05/606156105.db2.gz JNWDYVDCFIRLGT-QFIPXVFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1ccc(C)c([S@@](=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822231853 606156106 /nfs/dbraw/zinc/15/61/06/606156106.db2.gz JNWDYVDCFIRLGT-QFIPXVFZSA-N -1 3 312.398 2.791 20 0 DFADHM Cc1cnc(C(C)(C)NCc2ccc(-c3nnn[n-]3)s2)s1 ZINC000822389490 606204281 /nfs/dbraw/zinc/20/42/81/606204281.db2.gz YNCILQXADNURDU-UHFFFAOYSA-N -1 3 320.447 2.718 20 0 DFADHM Cc1cnc(C(C)(C)NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC000822389490 606204282 /nfs/dbraw/zinc/20/42/82/606204282.db2.gz YNCILQXADNURDU-UHFFFAOYSA-N -1 3 320.447 2.718 20 0 DFADHM Cc1cccc(C(C)C)c1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822289230 606207485 /nfs/dbraw/zinc/20/74/85/606207485.db2.gz VFFLVZHJJRVDMF-UHFFFAOYSA-N -1 3 324.388 2.889 20 0 DFADHM Cc1cccc(C(C)C)c1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822289230 606207487 /nfs/dbraw/zinc/20/74/87/606207487.db2.gz VFFLVZHJJRVDMF-UHFFFAOYSA-N -1 3 324.388 2.889 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1C1CC1 ZINC000823332748 606217612 /nfs/dbraw/zinc/21/76/12/606217612.db2.gz QOCSNAPJHXSDOR-UWVGGRQHSA-N -1 3 303.753 2.505 20 0 DFADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1C1CC1 ZINC000823332748 606217614 /nfs/dbraw/zinc/21/76/14/606217614.db2.gz QOCSNAPJHXSDOR-UWVGGRQHSA-N -1 3 303.753 2.505 20 0 DFADHM CCCc1ccc(COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821138627 606228941 /nfs/dbraw/zinc/22/89/41/606228941.db2.gz DLSMAAMTFJMMQE-UHFFFAOYSA-N -1 3 311.345 2.504 20 0 DFADHM CCCc1ccc(COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821138627 606228943 /nfs/dbraw/zinc/22/89/43/606228943.db2.gz DLSMAAMTFJMMQE-UHFFFAOYSA-N -1 3 311.345 2.504 20 0 DFADHM CC(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC000820021618 606229356 /nfs/dbraw/zinc/22/93/56/606229356.db2.gz XEUNNOLTWFEISP-AWEZNQCLSA-N -1 3 309.377 2.508 20 0 DFADHM CC(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC000820021618 606229357 /nfs/dbraw/zinc/22/93/57/606229357.db2.gz XEUNNOLTWFEISP-AWEZNQCLSA-N -1 3 309.377 2.508 20 0 DFADHM C[C@@H]1[C@H](c2ccccc2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820643633 606234049 /nfs/dbraw/zinc/23/40/49/606234049.db2.gz XTQQLJRVYTYTFM-IUODEOHRSA-N -1 3 306.373 2.644 20 0 DFADHM C[C@@H]1[C@H](c2ccccc2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820643633 606234050 /nfs/dbraw/zinc/23/40/50/606234050.db2.gz XTQQLJRVYTYTFM-IUODEOHRSA-N -1 3 306.373 2.644 20 0 DFADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nccn1C(F)F ZINC000822136942 606241930 /nfs/dbraw/zinc/24/19/30/606241930.db2.gz QHSLEXOPZNSJEB-UHFFFAOYSA-N -1 3 320.303 2.654 20 0 DFADHM C[C@]1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCCC[C@@H]1O ZINC000820623810 606242874 /nfs/dbraw/zinc/24/28/74/606242874.db2.gz ZIMWCARMIYDIDK-DZGCQCFKSA-N -1 3 321.812 2.873 20 0 DFADHM C[C@]1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000820623810 606242875 /nfs/dbraw/zinc/24/28/75/606242875.db2.gz ZIMWCARMIYDIDK-DZGCQCFKSA-N -1 3 321.812 2.873 20 0 DFADHM O=C(CC1=CCCCC1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822941352 606267532 /nfs/dbraw/zinc/26/75/32/606267532.db2.gz VQMNEOISESGAFL-UHFFFAOYSA-N -1 3 301.325 2.835 20 0 DFADHM O=C(CC1=CCCCC1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822941352 606267534 /nfs/dbraw/zinc/26/75/34/606267534.db2.gz VQMNEOISESGAFL-UHFFFAOYSA-N -1 3 301.325 2.835 20 0 DFADHM Cc1ccccc1[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC000822350127 606277437 /nfs/dbraw/zinc/27/74/37/606277437.db2.gz APSAUWWFFHNFNM-OAHLLOKOSA-N -1 3 324.388 2.630 20 0 DFADHM Cc1ccccc1[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC000822350127 606277438 /nfs/dbraw/zinc/27/74/38/606277438.db2.gz APSAUWWFFHNFNM-OAHLLOKOSA-N -1 3 324.388 2.630 20 0 DFADHM CC(C)=C(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820004941 606285293 /nfs/dbraw/zinc/28/52/93/606285293.db2.gz FQFVJIGHESTTMP-UHFFFAOYSA-N -1 3 323.303 2.763 20 0 DFADHM CC(C)=C(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820004941 606285294 /nfs/dbraw/zinc/28/52/94/606285294.db2.gz FQFVJIGHESTTMP-UHFFFAOYSA-N -1 3 323.303 2.763 20 0 DFADHM CC[C@@H](C)CN(CC)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820869485 606300656 /nfs/dbraw/zinc/30/06/56/606300656.db2.gz HFCISAKUTPZWHK-CYBMUJFWSA-N -1 3 315.421 2.694 20 0 DFADHM CC[C@@H](C)CN(CC)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820869485 606300658 /nfs/dbraw/zinc/30/06/58/606300658.db2.gz HFCISAKUTPZWHK-CYBMUJFWSA-N -1 3 315.421 2.694 20 0 DFADHM CC(C)CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC000820072894 606318175 /nfs/dbraw/zinc/31/81/75/606318175.db2.gz MVWXGIQBRYGETA-UHFFFAOYSA-N -1 3 316.409 2.626 20 0 DFADHM CC(C)CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC000820072894 606318177 /nfs/dbraw/zinc/31/81/77/606318177.db2.gz MVWXGIQBRYGETA-UHFFFAOYSA-N -1 3 316.409 2.626 20 0 DFADHM CCOC(=O)CCCCSc1cccc(-c2nnn[n-]2)c1 ZINC000821325146 606327313 /nfs/dbraw/zinc/32/73/13/606327313.db2.gz BXFPRVOYFWDRRZ-UHFFFAOYSA-N -1 3 306.391 2.692 20 0 DFADHM CCOC(=O)CCCCSc1cccc(-c2nn[n-]n2)c1 ZINC000821325146 606327316 /nfs/dbraw/zinc/32/73/16/606327316.db2.gz BXFPRVOYFWDRRZ-UHFFFAOYSA-N -1 3 306.391 2.692 20 0 DFADHM CC[C@@H](C)CN(CC)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820868919 606327326 /nfs/dbraw/zinc/32/73/26/606327326.db2.gz CGBPPIJRYIOPQE-LLVKDONJSA-N -1 3 318.450 2.932 20 0 DFADHM CC[C@@H](C)CN(CC)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820868919 606327328 /nfs/dbraw/zinc/32/73/28/606327328.db2.gz CGBPPIJRYIOPQE-LLVKDONJSA-N -1 3 318.450 2.932 20 0 DFADHM Cc1cc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)ccc1F ZINC000822191679 606339535 /nfs/dbraw/zinc/33/95/35/606339535.db2.gz NUPXWQIYVSUAIW-JTQLQIEISA-N -1 3 301.325 2.758 20 0 DFADHM C[C@H](OC(=O)Cc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820500284 606340633 /nfs/dbraw/zinc/34/06/33/606340633.db2.gz CSOXRBXHDIXEJH-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@H](OC(=O)Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820500284 606340635 /nfs/dbraw/zinc/34/06/35/606340635.db2.gz CSOXRBXHDIXEJH-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820861420 606353908 /nfs/dbraw/zinc/35/39/08/606353908.db2.gz MRTQCYDYLAFRNO-RKDXNWHRSA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820861420 606353907 /nfs/dbraw/zinc/35/39/07/606353907.db2.gz MRTQCYDYLAFRNO-RKDXNWHRSA-N -1 3 306.345 2.562 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820870403 606355904 /nfs/dbraw/zinc/35/59/04/606355904.db2.gz SDFRPVLYFQXOMY-VHSXEESVSA-N -1 3 320.372 2.952 20 0 DFADHM CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820870403 606355906 /nfs/dbraw/zinc/35/59/06/606355906.db2.gz SDFRPVLYFQXOMY-VHSXEESVSA-N -1 3 320.372 2.952 20 0 DFADHM C[C@@H](OC(=O)[C@@H](C)c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488852 606357412 /nfs/dbraw/zinc/35/74/12/606357412.db2.gz VTEFCCIUSLALPX-WDEREUQCSA-N -1 3 312.329 2.868 20 0 DFADHM C[C@@H](OC(=O)[C@@H](C)c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488852 606357414 /nfs/dbraw/zinc/35/74/14/606357414.db2.gz VTEFCCIUSLALPX-WDEREUQCSA-N -1 3 312.329 2.868 20 0 DFADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820649753 606363954 /nfs/dbraw/zinc/36/39/54/606363954.db2.gz OGVXNYFOCGFNAN-SMDDNHRTSA-N -1 3 313.405 2.811 20 0 DFADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820649753 606363956 /nfs/dbraw/zinc/36/39/56/606363956.db2.gz OGVXNYFOCGFNAN-SMDDNHRTSA-N -1 3 313.405 2.811 20 0 DFADHM Cc1cccc2ncnc(NCc3ccc(-c4nnn[n-]4)cc3)c12 ZINC000822340689 606399755 /nfs/dbraw/zinc/39/97/55/606399755.db2.gz CLIFJVDZVVXFDU-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM Cc1cccc2ncnc(NCc3ccc(-c4nn[n-]n4)cc3)c12 ZINC000822340689 606399756 /nfs/dbraw/zinc/39/97/56/606399756.db2.gz CLIFJVDZVVXFDU-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM CCCC[C@H](CC)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821039687 606407801 /nfs/dbraw/zinc/40/78/01/606407801.db2.gz GKCNNFHLPJIIPR-NSHDSACASA-N -1 3 305.382 2.578 20 0 DFADHM CCCC[C@H](CC)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821039687 606407803 /nfs/dbraw/zinc/40/78/03/606407803.db2.gz GKCNNFHLPJIIPR-NSHDSACASA-N -1 3 305.382 2.578 20 0 DFADHM C[C@H]1CCCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820709074 606413479 /nfs/dbraw/zinc/41/34/79/606413479.db2.gz CSJFXZLHVRTORE-QMMMGPOBSA-N -1 3 322.825 2.701 20 0 DFADHM C[C@H]1CCCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820709074 606413480 /nfs/dbraw/zinc/41/34/80/606413480.db2.gz CSJFXZLHVRTORE-QMMMGPOBSA-N -1 3 322.825 2.701 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H]1C ZINC000820766712 606417848 /nfs/dbraw/zinc/41/78/48/606417848.db2.gz CSPMINGEWQMSLL-RKDXNWHRSA-N -1 3 311.311 2.978 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000820766712 606417851 /nfs/dbraw/zinc/41/78/51/606417851.db2.gz CSPMINGEWQMSLL-RKDXNWHRSA-N -1 3 311.311 2.978 20 0 DFADHM Cc1nc([C@H](C)NCc2ccc(-c3nnn[n-]3)s2)cs1 ZINC000822427453 606418861 /nfs/dbraw/zinc/41/88/61/606418861.db2.gz OMTKAYQYIWIWLS-ZETCQYMHSA-N -1 3 306.420 2.544 20 0 DFADHM Cc1nc([C@H](C)NCc2ccc(-c3nn[n-]n3)s2)cs1 ZINC000822427453 606418862 /nfs/dbraw/zinc/41/88/62/606418862.db2.gz OMTKAYQYIWIWLS-ZETCQYMHSA-N -1 3 306.420 2.544 20 0 DFADHM CCCCC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC000821049913 606429968 /nfs/dbraw/zinc/42/99/68/606429968.db2.gz NUWYDZCJRSISLW-LBPRGKRZSA-N -1 3 321.356 2.540 20 0 DFADHM CCCCC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C(=O)OC ZINC000821049913 606429970 /nfs/dbraw/zinc/42/99/70/606429970.db2.gz NUWYDZCJRSISLW-LBPRGKRZSA-N -1 3 321.356 2.540 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@@H]2c2ccccn2)n1 ZINC000822191623 606458941 /nfs/dbraw/zinc/45/89/41/606458941.db2.gz MDUFQAMTCMJTMC-CQSZACIVSA-N -1 3 321.388 2.615 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@@H]2c2ccccn2)n1 ZINC000822191623 606458943 /nfs/dbraw/zinc/45/89/43/606458943.db2.gz MDUFQAMTCMJTMC-CQSZACIVSA-N -1 3 321.388 2.615 20 0 DFADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000820506442 606462476 /nfs/dbraw/zinc/46/24/76/606462476.db2.gz ACVOPESBCUCVHD-SECBINFHSA-N -1 3 300.343 2.846 20 0 DFADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000820506442 606462474 /nfs/dbraw/zinc/46/24/74/606462474.db2.gz ACVOPESBCUCVHD-SECBINFHSA-N -1 3 300.343 2.846 20 0 DFADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(F)c1 ZINC000820508509 606462971 /nfs/dbraw/zinc/46/29/71/606462971.db2.gz 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CC1(C)CCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820590308 606631530 /nfs/dbraw/zinc/63/15/30/606631530.db2.gz RUJJWZBVYUNCBK-LBPRGKRZSA-N -1 3 300.366 2.567 20 0 DFADHM CC(C)c1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)no1 ZINC000820203666 606656165 /nfs/dbraw/zinc/65/61/65/606656165.db2.gz XMNJVNGVXJKIBX-UHFFFAOYSA-N -1 3 319.756 2.639 20 0 DFADHM CC(C)c1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)no1 ZINC000820203666 606656166 /nfs/dbraw/zinc/65/61/66/606656166.db2.gz XMNJVNGVXJKIBX-UHFFFAOYSA-N -1 3 319.756 2.639 20 0 DFADHM O=C(Oc1ccccc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823454093 606663166 /nfs/dbraw/zinc/66/31/66/606663166.db2.gz LRAWCKMQMQKXNM-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM O=C(Oc1ccccc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823454093 606663167 /nfs/dbraw/zinc/66/31/67/606663167.db2.gz LRAWCKMQMQKXNM-UHFFFAOYSA-N -1 3 320.230 2.503 20 0 DFADHM CC(C)C[C@@H](C)OCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820054848 606663446 /nfs/dbraw/zinc/66/34/46/606663446.db2.gz DBNWTPNQHJVXKR-GFCCVEGCSA-N -1 3 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ZINC000820943980 606780357 /nfs/dbraw/zinc/78/03/57/606780357.db2.gz FNCCQIAQLIWTAI-UHFFFAOYSA-N -1 3 313.405 2.796 20 0 DFADHM CCC1(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000820943980 606780358 /nfs/dbraw/zinc/78/03/58/606780358.db2.gz FNCCQIAQLIWTAI-UHFFFAOYSA-N -1 3 313.405 2.796 20 0 DFADHM CCc1cnc(COc2cc(Cl)ccc2-c2nnn[n-]2)o1 ZINC000821499483 606780680 /nfs/dbraw/zinc/78/06/80/606780680.db2.gz LTCDJLGDAJRODA-UHFFFAOYSA-N -1 3 305.725 2.650 20 0 DFADHM CCc1cnc(COc2cc(Cl)ccc2-c2nn[n-]n2)o1 ZINC000821499483 606780682 /nfs/dbraw/zinc/78/06/82/606780682.db2.gz LTCDJLGDAJRODA-UHFFFAOYSA-N -1 3 305.725 2.650 20 0 DFADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCOCC1 ZINC000820455960 606791061 /nfs/dbraw/zinc/79/10/61/606791061.db2.gz OQMXBVYMVNPOOM-VIFPVBQESA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCOCC1 ZINC000820455960 606791063 /nfs/dbraw/zinc/79/10/63/606791063.db2.gz OQMXBVYMVNPOOM-VIFPVBQESA-N -1 3 307.785 2.747 20 0 DFADHM CC(C)CC1(CNC(=O)c2sccc2-c2nnn[n-]2)CCC1 ZINC000820062773 606812001 /nfs/dbraw/zinc/81/20/01/606812001.db2.gz OKIXQNUSJHHLTP-UHFFFAOYSA-N -1 3 319.434 2.874 20 0 DFADHM CC(C)CC1(CNC(=O)c2sccc2-c2nn[n-]n2)CCC1 ZINC000820062773 606812002 /nfs/dbraw/zinc/81/20/02/606812002.db2.gz OKIXQNUSJHHLTP-UHFFFAOYSA-N -1 3 319.434 2.874 20 0 DFADHM CC1(C)CCCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820595333 606870832 /nfs/dbraw/zinc/87/08/32/606870832.db2.gz HHLAHPKVKLFZFR-ZDUSSCGKSA-N -1 3 314.393 2.957 20 0 DFADHM CC1(C)CCCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820595333 606870834 /nfs/dbraw/zinc/87/08/34/606870834.db2.gz HHLAHPKVKLFZFR-ZDUSSCGKSA-N -1 3 314.393 2.957 20 0 DFADHM c1cc(Sc2ncnc3c2CCCC3)cc(-c2nnn[n-]2)c1 ZINC000823762458 606876497 /nfs/dbraw/zinc/87/64/97/606876497.db2.gz PQTOHFGWFGOSOV-UHFFFAOYSA-N -1 3 310.386 2.687 20 0 DFADHM c1cc(Sc2ncnc3c2CCCC3)cc(-c2nn[n-]n2)c1 ZINC000823762458 606876498 /nfs/dbraw/zinc/87/64/98/606876498.db2.gz PQTOHFGWFGOSOV-UHFFFAOYSA-N -1 3 310.386 2.687 20 0 DFADHM CC(C)C[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820063174 606878813 /nfs/dbraw/zinc/87/88/13/606878813.db2.gz SGPLPZILKGRJFB-LBPRGKRZSA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)C[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820063174 606878815 /nfs/dbraw/zinc/87/88/15/606878815.db2.gz SGPLPZILKGRJFB-LBPRGKRZSA-N -1 3 319.434 2.969 20 0 DFADHM FC(F)(F)c1ccc(NCc2ccccn2)c(-c2nnn[n-]2)c1 ZINC000822729173 606916224 /nfs/dbraw/zinc/91/62/24/606916224.db2.gz VFMBYYFGKIOIAE-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM FC(F)(F)c1ccc(NCc2ccccn2)c(-c2nn[n-]n2)c1 ZINC000822729173 606916226 /nfs/dbraw/zinc/91/62/26/606916226.db2.gz VFMBYYFGKIOIAE-UHFFFAOYSA-N -1 3 320.278 2.893 20 0 DFADHM COc1cc(C)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821713423 606927804 /nfs/dbraw/zinc/92/78/04/606927804.db2.gz WOJDGLZFIIZQJL-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1cc(C)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821713423 606927806 /nfs/dbraw/zinc/92/78/06/606927806.db2.gz WOJDGLZFIIZQJL-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM CCc1nnc(N[C@H](C)[C@H](C)CC)c(-c2nnn[n-]2)c1CC ZINC000821527070 606937045 /nfs/dbraw/zinc/93/70/45/606937045.db2.gz BKTWWYXRZXKDLA-NXEZZACHSA-N -1 3 303.414 2.628 20 0 DFADHM CCc1nnc(N[C@H](C)[C@H](C)CC)c(-c2nn[n-]n2)c1CC ZINC000821527070 606937046 /nfs/dbraw/zinc/93/70/46/606937046.db2.gz BKTWWYXRZXKDLA-NXEZZACHSA-N -1 3 303.414 2.628 20 0 DFADHM CCc1nnc(SC[C@H](C)CC)c(-c2nnn[n-]2)c1CC ZINC000821548691 606943181 /nfs/dbraw/zinc/94/31/81/606943181.db2.gz UDMDKSQVVGYYII-SECBINFHSA-N -1 3 306.439 2.920 20 0 DFADHM CCc1nnc(SC[C@H](C)CC)c(-c2nn[n-]n2)c1CC ZINC000821548691 606943182 /nfs/dbraw/zinc/94/31/82/606943182.db2.gz UDMDKSQVVGYYII-SECBINFHSA-N -1 3 306.439 2.920 20 0 DFADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC2(CCC2)C1 ZINC000823791821 606948281 /nfs/dbraw/zinc/94/82/81/606948281.db2.gz JIXJQBZBROJYNK-UHFFFAOYSA-N -1 3 306.373 2.795 20 0 DFADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC2(CCC2)C1 ZINC000823791821 606948284 /nfs/dbraw/zinc/94/82/84/606948284.db2.gz JIXJQBZBROJYNK-UHFFFAOYSA-N -1 3 306.373 2.795 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820949507 606954682 /nfs/dbraw/zinc/95/46/82/606954682.db2.gz BPMPBHOUUPOMHM-HNNXBMFYSA-N -1 3 318.356 2.660 20 0 DFADHM CC[C@@]1(C)CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820949507 606954684 /nfs/dbraw/zinc/95/46/84/606954684.db2.gz BPMPBHOUUPOMHM-HNNXBMFYSA-N -1 3 318.356 2.660 20 0 DFADHM CN(C(=O)c1ccc(Cl)cc1)c1ccccc1-c1nnn[n-]1 ZINC000821573604 606973741 /nfs/dbraw/zinc/97/37/41/606973741.db2.gz XGARSOAJGYHYTN-UHFFFAOYSA-N -1 3 313.748 2.797 20 0 DFADHM CN(C(=O)c1ccc(Cl)cc1)c1ccccc1-c1nn[n-]n1 ZINC000821573604 606973743 /nfs/dbraw/zinc/97/37/43/606973743.db2.gz XGARSOAJGYHYTN-UHFFFAOYSA-N -1 3 313.748 2.797 20 0 DFADHM CSCCCCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821961305 607000189 /nfs/dbraw/zinc/00/01/89/607000189.db2.gz JDPACJNMOCEOGN-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM CSCCCCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821961305 607000193 /nfs/dbraw/zinc/00/01/93/607000193.db2.gz JDPACJNMOCEOGN-UHFFFAOYSA-N -1 3 324.381 2.582 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820675459 607002917 /nfs/dbraw/zinc/00/29/17/607002917.db2.gz JFDCUIRRLPANQO-DFYQSJSGSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820675459 607002918 /nfs/dbraw/zinc/00/29/18/607002918.db2.gz JFDCUIRRLPANQO-DFYQSJSGSA-N -1 3 316.336 2.795 20 0 DFADHM COCc1nc(CSc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821696644 607014836 /nfs/dbraw/zinc/01/48/36/607014836.db2.gz KTWYZNSBIYNFOQ-UHFFFAOYSA-N -1 3 319.415 2.762 20 0 DFADHM COCc1nc(CSc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821696644 607014837 /nfs/dbraw/zinc/01/48/37/607014837.db2.gz KTWYZNSBIYNFOQ-UHFFFAOYSA-N -1 3 319.415 2.762 20 0 DFADHM c1cn2cc(CSc3cccc(-c4nnn[n-]4)c3)nc2s1 ZINC000823762385 607016428 /nfs/dbraw/zinc/01/64/28/607016428.db2.gz NQBTZQQBWJODFE-UHFFFAOYSA-N -1 3 314.399 2.868 20 0 DFADHM c1cn2cc(CSc3cccc(-c4nn[n-]n4)c3)nc2s1 ZINC000823762385 607016430 /nfs/dbraw/zinc/01/64/30/607016430.db2.gz NQBTZQQBWJODFE-UHFFFAOYSA-N -1 3 314.399 2.868 20 0 DFADHM Cc1cn(Cc2coc(-c3ccc(F)cc3)n2)cc1-c1nnn[n-]1 ZINC000822384428 607021770 /nfs/dbraw/zinc/02/17/70/607021770.db2.gz LVLNOLPYHVSIAU-UHFFFAOYSA-N -1 3 324.319 2.819 20 0 DFADHM Cc1cn(Cc2coc(-c3ccc(F)cc3)n2)cc1-c1nn[n-]n1 ZINC000822384428 607021773 /nfs/dbraw/zinc/02/17/73/607021773.db2.gz LVLNOLPYHVSIAU-UHFFFAOYSA-N -1 3 324.319 2.819 20 0 DFADHM Cc1cn(Cc2cc(C)nc3ccccc23)cc1-c1nnn[n-]1 ZINC000822202349 607021866 /nfs/dbraw/zinc/02/18/66/607021866.db2.gz WGPPWYWMCNVYCT-UHFFFAOYSA-N -1 3 304.357 2.882 20 0 DFADHM Cc1cn(Cc2cc(C)nc3ccccc23)cc1-c1nn[n-]n1 ZINC000822202349 607021868 /nfs/dbraw/zinc/02/18/68/607021868.db2.gz WGPPWYWMCNVYCT-UHFFFAOYSA-N -1 3 304.357 2.882 20 0 DFADHM Cc1cn(Cc2cc(-c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000822385153 607022169 /nfs/dbraw/zinc/02/21/69/607022169.db2.gz YIGQNLJEPJTXCR-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM Cc1cn(Cc2cc(-c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000822385153 607022170 /nfs/dbraw/zinc/02/21/70/607022170.db2.gz YIGQNLJEPJTXCR-UHFFFAOYSA-N -1 3 306.329 2.680 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000821757002 607035106 /nfs/dbraw/zinc/03/51/06/607035106.db2.gz SXNRJWFAJBCZIH-MNOVXSKESA-N -1 3 315.377 2.640 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000821757002 607035108 /nfs/dbraw/zinc/03/51/08/607035108.db2.gz SXNRJWFAJBCZIH-MNOVXSKESA-N -1 3 315.377 2.640 20 0 DFADHM CCCC1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC000821026783 607036033 /nfs/dbraw/zinc/03/60/33/607036033.db2.gz BXPLBYBTHZLMAF-UHFFFAOYSA-N -1 3 303.341 2.915 20 0 DFADHM CCCC1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC000821026783 607036035 /nfs/dbraw/zinc/03/60/35/607036035.db2.gz BXPLBYBTHZLMAF-UHFFFAOYSA-N -1 3 303.341 2.915 20 0 DFADHM CC(C)(C)OC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000819946999 607043912 /nfs/dbraw/zinc/04/39/12/607043912.db2.gz YHYQJYSSQFZYNW-UHFFFAOYSA-N -1 3 319.384 2.790 20 0 DFADHM CC(C)(C)OC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000819946999 607043913 /nfs/dbraw/zinc/04/39/13/607043913.db2.gz YHYQJYSSQFZYNW-UHFFFAOYSA-N -1 3 319.384 2.790 20 0 DFADHM CC(C)C[C@H]1CCCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000820067268 607052157 /nfs/dbraw/zinc/05/21/57/607052157.db2.gz HQJBHGOMBIVRDT-LLVKDONJSA-N -1 3 319.434 2.827 20 0 DFADHM CC(C)C[C@@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820068175 607051957 /nfs/dbraw/zinc/05/19/57/607051957.db2.gz OOSHSGLNHIXHSF-ZDUSSCGKSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)C[C@@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820068175 607051958 /nfs/dbraw/zinc/05/19/58/607051958.db2.gz OOSHSGLNHIXHSF-ZDUSSCGKSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)C[C@H]1CCCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000820067268 607052155 /nfs/dbraw/zinc/05/21/55/607052155.db2.gz HQJBHGOMBIVRDT-LLVKDONJSA-N -1 3 319.434 2.827 20 0 DFADHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c(C)o1 ZINC000822184444 607072342 /nfs/dbraw/zinc/07/23/42/607072342.db2.gz UMSNITJBJKASRY-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c(C)o1 ZINC000822184444 607072343 /nfs/dbraw/zinc/07/23/43/607072343.db2.gz UMSNITJBJKASRY-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM CCC(CC)CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820893351 607090908 /nfs/dbraw/zinc/09/09/08/607090908.db2.gz OBLWSFKEEHMKOB-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CCC(CC)CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820893351 607090910 /nfs/dbraw/zinc/09/09/10/607090910.db2.gz OBLWSFKEEHMKOB-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM O=C([C@@H]1CC12CCC2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822918000 607117167 /nfs/dbraw/zinc/11/71/67/607117167.db2.gz XDXSVYILJHYHNI-HNNXBMFYSA-N -1 3 323.400 2.548 20 0 DFADHM O=C([C@@H]1CC12CCC2)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822918000 607117168 /nfs/dbraw/zinc/11/71/68/607117168.db2.gz XDXSVYILJHYHNI-HNNXBMFYSA-N -1 3 323.400 2.548 20 0 DFADHM Fc1ccc(N[C@H]2CCOC3(CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822778976 607129912 /nfs/dbraw/zinc/12/99/12/607129912.db2.gz QDYCNLZBDBPFKE-LBPRGKRZSA-N -1 3 317.368 2.910 20 0 DFADHM Fc1ccc(N[C@H]2CCOC3(CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822778976 607129913 /nfs/dbraw/zinc/12/99/13/607129913.db2.gz QDYCNLZBDBPFKE-LBPRGKRZSA-N -1 3 317.368 2.910 20 0 DFADHM CCc1cc(C)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821469330 607156496 /nfs/dbraw/zinc/15/64/96/607156496.db2.gz CNAAOIKTOZLEKB-UHFFFAOYSA-N -1 3 312.329 2.688 20 0 DFADHM CCc1cc(C)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821469330 607156497 /nfs/dbraw/zinc/15/64/97/607156497.db2.gz CNAAOIKTOZLEKB-UHFFFAOYSA-N -1 3 312.329 2.688 20 0 DFADHM C[C@H](C1CC1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820219708 607195431 /nfs/dbraw/zinc/19/54/31/607195431.db2.gz IVSLPCAHBLEBSC-MRVPVSSYSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@H](C1CC1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820219708 607195432 /nfs/dbraw/zinc/19/54/32/607195432.db2.gz IVSLPCAHBLEBSC-MRVPVSSYSA-N -1 3 320.784 2.782 20 0 DFADHM CCC(CC)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820898224 607198113 /nfs/dbraw/zinc/19/81/13/607198113.db2.gz WPGABDDIRROFGR-UHFFFAOYSA-N -1 3 308.773 2.830 20 0 DFADHM CCC(CC)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820898224 607198114 /nfs/dbraw/zinc/19/81/14/607198114.db2.gz WPGABDDIRROFGR-UHFFFAOYSA-N -1 3 308.773 2.830 20 0 DFADHM CC[C@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820875876 607198158 /nfs/dbraw/zinc/19/81/58/607198158.db2.gz HUULULCAPZLEPM-QMMMGPOBSA-N -1 3 308.773 2.782 20 0 DFADHM CC[C@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820875876 607198159 /nfs/dbraw/zinc/19/81/59/607198159.db2.gz HUULULCAPZLEPM-QMMMGPOBSA-N -1 3 308.773 2.782 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820685146 607244949 /nfs/dbraw/zinc/24/49/49/607244949.db2.gz SVUBYYRNVBLGJV-VHSXEESVSA-N -1 3 304.325 2.738 20 0 DFADHM C[C@H]1CC[C@@H](CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820685146 607244950 /nfs/dbraw/zinc/24/49/50/607244950.db2.gz SVUBYYRNVBLGJV-VHSXEESVSA-N -1 3 304.325 2.738 20 0 DFADHM Cc1c(NC(=S)NCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822115959 607251907 /nfs/dbraw/zinc/25/19/07/607251907.db2.gz JQCNRZVGVNMGFQ-UHFFFAOYSA-N -1 3 324.413 2.662 20 0 DFADHM Cc1c(NC(=S)NCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822115959 607251908 /nfs/dbraw/zinc/25/19/08/607251908.db2.gz JQCNRZVGVNMGFQ-UHFFFAOYSA-N -1 3 324.413 2.662 20 0 DFADHM Cc1ccc(CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1C ZINC000826286485 607787079 /nfs/dbraw/zinc/78/70/79/607787079.db2.gz DMAUSXIDNCMMDB-UHFFFAOYSA-N -1 3 321.384 2.689 20 0 DFADHM Cc1ccc(CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1C ZINC000826286485 607787080 /nfs/dbraw/zinc/78/70/80/607787080.db2.gz DMAUSXIDNCMMDB-UHFFFAOYSA-N -1 3 321.384 2.689 20 0 DFADHM CN(C(=O)[C@@H]1CCc2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC000825812704 607789840 /nfs/dbraw/zinc/78/98/40/607789840.db2.gz RJJYSFJXHWUOQA-CQSZACIVSA-N -1 3 319.368 2.560 20 0 DFADHM CN(C(=O)[C@@H]1CCc2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC000825812704 607789841 /nfs/dbraw/zinc/78/98/41/607789841.db2.gz RJJYSFJXHWUOQA-CQSZACIVSA-N -1 3 319.368 2.560 20 0 DFADHM CN(C(=O)c1ccc2c(c1)CCC2)c1ccccc1-c1nnn[n-]1 ZINC000825829489 607789997 /nfs/dbraw/zinc/78/99/97/607789997.db2.gz FWIHWNRYMBWGEZ-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM CN(C(=O)c1ccc2c(c1)CCC2)c1ccccc1-c1nn[n-]n1 ZINC000825829489 607789998 /nfs/dbraw/zinc/78/99/98/607789998.db2.gz FWIHWNRYMBWGEZ-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM CN(Cc1cc(-c2nnn[n-]2)ccc1F)OCc1ccccc1 ZINC000825954159 607792438 /nfs/dbraw/zinc/79/24/38/607792438.db2.gz XPIYDASHBPXKHW-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CN(Cc1cc(-c2nn[n-]n2)ccc1F)OCc1ccccc1 ZINC000825954159 607792439 /nfs/dbraw/zinc/79/24/39/607792439.db2.gz XPIYDASHBPXKHW-UHFFFAOYSA-N -1 3 313.336 2.569 20 0 DFADHM CCN(C(=O)/C=C1\CC[C@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366599 607798084 /nfs/dbraw/zinc/79/80/84/607798084.db2.gz CICCHGHNOLIQGN-OWRWYXLESA-N -1 3 311.389 2.966 20 0 DFADHM CCN(C(=O)/C=C1\CC[C@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366599 607798085 /nfs/dbraw/zinc/79/80/85/607798085.db2.gz CICCHGHNOLIQGN-OWRWYXLESA-N -1 3 311.389 2.966 20 0 DFADHM CCN(C(=O)Cc1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377006 607799382 /nfs/dbraw/zinc/79/93/82/607799382.db2.gz QYWAPPLVBAHYNR-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CCN(C(=O)Cc1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377006 607799383 /nfs/dbraw/zinc/79/93/83/607799383.db2.gz QYWAPPLVBAHYNR-UHFFFAOYSA-N -1 3 321.384 2.771 20 0 DFADHM CC1(C)C[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824790690 607821571 /nfs/dbraw/zinc/82/15/71/607821571.db2.gz OZCYNAQJOSOGOG-VIFPVBQESA-N -1 3 307.785 2.890 20 0 DFADHM CC1(C)C[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824790690 607821572 /nfs/dbraw/zinc/82/15/72/607821572.db2.gz OZCYNAQJOSOGOG-VIFPVBQESA-N -1 3 307.785 2.890 20 0 DFADHM Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000826286860 607830969 /nfs/dbraw/zinc/83/09/69/607830969.db2.gz TZXYCLNGCNMPAE-UHFFFAOYSA-N -1 3 317.736 2.603 20 0 DFADHM Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000826286860 607830970 /nfs/dbraw/zinc/83/09/70/607830970.db2.gz TZXYCLNGCNMPAE-UHFFFAOYSA-N -1 3 317.736 2.603 20 0 DFADHM C[C@H](Nc1cnccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824662244 607838735 /nfs/dbraw/zinc/83/87/35/607838735.db2.gz GLWNKCLCQFSKQM-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM C[C@H](Nc1cnccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824662244 607838736 /nfs/dbraw/zinc/83/87/36/607838736.db2.gz GLWNKCLCQFSKQM-QMMMGPOBSA-N -1 3 302.288 2.713 20 0 DFADHM c1ccc(C2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826520413 607839884 /nfs/dbraw/zinc/83/98/84/607839884.db2.gz INNURORQXMLYQG-UHFFFAOYSA-N -1 3 306.373 2.646 20 0 DFADHM c1ccc(C2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826520413 607839885 /nfs/dbraw/zinc/83/98/85/607839885.db2.gz INNURORQXMLYQG-UHFFFAOYSA-N -1 3 306.373 2.646 20 0 DFADHM C[C@H]1OCC[C@H]1SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825021892 607845243 /nfs/dbraw/zinc/84/52/43/607845243.db2.gz VBQIMNHVSMBLKW-BXUZGUMPSA-N -1 3 320.418 2.546 20 0 DFADHM C[C@H]1OCC[C@H]1SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825021892 607845244 /nfs/dbraw/zinc/84/52/44/607845244.db2.gz VBQIMNHVSMBLKW-BXUZGUMPSA-N -1 3 320.418 2.546 20 0 DFADHM C[C@@H]1OCC[C@@H]1SCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000825019545 607845879 /nfs/dbraw/zinc/84/58/79/607845879.db2.gz DUCCESSNWUWMNR-GWCFXTLKSA-N -1 3 315.402 2.530 20 0 DFADHM C[C@@H]1OCC[C@@H]1SCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000825019545 607845880 /nfs/dbraw/zinc/84/58/80/607845880.db2.gz DUCCESSNWUWMNR-GWCFXTLKSA-N -1 3 315.402 2.530 20 0 DFADHM CCOc1ccccc1N(C)Cc1ccccc1-c1nnn[n-]1 ZINC000825653562 607858709 /nfs/dbraw/zinc/85/87/09/607858709.db2.gz FEJKHWDSVRQJJO-UHFFFAOYSA-N -1 3 309.373 2.902 20 0 DFADHM CCOc1ccccc1N(C)Cc1ccccc1-c1nn[n-]n1 ZINC000825653562 607858710 /nfs/dbraw/zinc/85/87/10/607858710.db2.gz FEJKHWDSVRQJJO-UHFFFAOYSA-N -1 3 309.373 2.902 20 0 DFADHM CCCc1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825348599 607873957 /nfs/dbraw/zinc/87/39/57/607873957.db2.gz RKLYAQSBELGFDR-QGZVFWFLSA-N -1 3 324.384 2.932 20 0 DFADHM CCCc1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825348599 607873958 /nfs/dbraw/zinc/87/39/58/607873958.db2.gz RKLYAQSBELGFDR-QGZVFWFLSA-N -1 3 324.384 2.932 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@@H](O)c1ccccc1C ZINC000826278993 607877428 /nfs/dbraw/zinc/87/74/28/607877428.db2.gz BGRLLNHYONDYCD-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@@H](O)c1ccccc1C ZINC000826278993 607877429 /nfs/dbraw/zinc/87/74/29/607877429.db2.gz BGRLLNHYONDYCD-OAHLLOKOSA-N -1 3 310.357 2.596 20 0 DFADHM CC(C)CCc1nc(Cn2ccc(-c3nnn[n-]3)c2)cs1 ZINC000824248770 607890199 /nfs/dbraw/zinc/89/01/99/607890199.db2.gz BKEJEVPDAKEULK-UHFFFAOYSA-N -1 3 302.407 2.762 20 0 DFADHM CC(C)CCc1nc(Cn2ccc(-c3nn[n-]n3)c2)cs1 ZINC000824248770 607890200 /nfs/dbraw/zinc/89/02/00/607890200.db2.gz BKEJEVPDAKEULK-UHFFFAOYSA-N -1 3 302.407 2.762 20 0 DFADHM Brc1cc(Cn2ccc(-c3nnn[n-]3)c2)cs1 ZINC000823826681 607891272 /nfs/dbraw/zinc/89/12/72/607891272.db2.gz MRRNMCXXOFOQQE-UHFFFAOYSA-N -1 3 310.180 2.541 20 0 DFADHM Brc1cc(Cn2ccc(-c3nn[n-]n3)c2)cs1 ZINC000823826681 607891273 /nfs/dbraw/zinc/89/12/73/607891273.db2.gz MRRNMCXXOFOQQE-UHFFFAOYSA-N -1 3 310.180 2.541 20 0 DFADHM Fc1ccc2oc(N3CCc4ccc(-c5nnn[n-]5)cc43)nc2c1 ZINC000826376139 607935874 /nfs/dbraw/zinc/93/58/74/607935874.db2.gz PVFQIRLHSFUEDN-UHFFFAOYSA-N -1 3 322.303 2.841 20 0 DFADHM Fc1ccc2oc(N3CCc4ccc(-c5nn[n-]n5)cc43)nc2c1 ZINC000826376139 607935875 /nfs/dbraw/zinc/93/58/75/607935875.db2.gz PVFQIRLHSFUEDN-UHFFFAOYSA-N -1 3 322.303 2.841 20 0 DFADHM Fc1ccc(N2CCc3c(F)cccc3C2)c(-c2nnn[n-]2)c1 ZINC000826375358 607936878 /nfs/dbraw/zinc/93/68/78/607936878.db2.gz KGIXOWHXSPNWRK-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM Fc1ccc(N2CCc3c(F)cccc3C2)c(-c2nn[n-]n2)c1 ZINC000826375358 607936879 /nfs/dbraw/zinc/93/68/79/607936879.db2.gz KGIXOWHXSPNWRK-UHFFFAOYSA-N -1 3 313.311 2.708 20 0 DFADHM CS[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826225069 607962491 /nfs/dbraw/zinc/96/24/91/607962491.db2.gz SGRUIZLHWKCVID-ZETCQYMHSA-N -1 3 311.798 2.600 20 0 DFADHM CS[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826225069 607962492 /nfs/dbraw/zinc/96/24/92/607962492.db2.gz SGRUIZLHWKCVID-ZETCQYMHSA-N -1 3 311.798 2.600 20 0 DFADHM COc1ccc(C[C@H](C)CNc2ncccc2-c2nnn[n-]2)cc1 ZINC000826191881 607968445 /nfs/dbraw/zinc/96/84/45/607968445.db2.gz SKDDIJVBAITEMV-LBPRGKRZSA-N -1 3 324.388 2.561 20 0 DFADHM COc1ccc(C[C@H](C)CNc2ncccc2-c2nn[n-]n2)cc1 ZINC000826191881 607968446 /nfs/dbraw/zinc/96/84/46/607968446.db2.gz SKDDIJVBAITEMV-LBPRGKRZSA-N -1 3 324.388 2.561 20 0 DFADHM CCC[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000825258425 607969339 /nfs/dbraw/zinc/96/93/39/607969339.db2.gz CWDJVEOMMIPPBX-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM CCC[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000825258425 607969340 /nfs/dbraw/zinc/96/93/40/607969340.db2.gz CWDJVEOMMIPPBX-LLVKDONJSA-N -1 3 307.785 2.525 20 0 DFADHM Cc1c(NC(=O)C2CCC(F)(F)CC2)cccc1-c1nnn[n-]1 ZINC000826240632 607994939 /nfs/dbraw/zinc/99/49/39/607994939.db2.gz BSLYEVAPVWMHDR-UHFFFAOYSA-N -1 3 321.331 2.939 20 0 DFADHM Cc1c(NC(=O)C2CCC(F)(F)CC2)cccc1-c1nn[n-]n1 ZINC000826240632 607994940 /nfs/dbraw/zinc/99/49/40/607994940.db2.gz BSLYEVAPVWMHDR-UHFFFAOYSA-N -1 3 321.331 2.939 20 0 DFADHM O=C(Nc1cncc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826459675 608004465 /nfs/dbraw/zinc/00/44/65/608004465.db2.gz UJBVXHLZCQDJNG-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1cncc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826459675 608004466 /nfs/dbraw/zinc/00/44/66/608004466.db2.gz UJBVXHLZCQDJNG-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM Cc1cc(C)c(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826263363 608053186 /nfs/dbraw/zinc/05/31/86/608053186.db2.gz XKELSNFVDGIMEB-UHFFFAOYSA-N -1 3 321.384 2.722 20 0 DFADHM Cc1cc(C)c(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263363 608053187 /nfs/dbraw/zinc/05/31/87/608053187.db2.gz XKELSNFVDGIMEB-UHFFFAOYSA-N -1 3 321.384 2.722 20 0 DFADHM CCC(CC)[C@H](C)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825095546 608054138 /nfs/dbraw/zinc/05/41/38/608054138.db2.gz IPYZZFDKCMURDR-LBPRGKRZSA-N -1 3 315.421 2.897 20 0 DFADHM CCC(CC)[C@H](C)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825095546 608054139 /nfs/dbraw/zinc/05/41/39/608054139.db2.gz IPYZZFDKCMURDR-LBPRGKRZSA-N -1 3 315.421 2.897 20 0 DFADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)OCc1ccccc1 ZINC000824764019 608063198 /nfs/dbraw/zinc/06/31/98/608063198.db2.gz RHXAFOIAPDNLLB-CYBMUJFWSA-N -1 3 309.373 2.991 20 0 DFADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)OCc1ccccc1 ZINC000824764019 608063199 /nfs/dbraw/zinc/06/31/99/608063199.db2.gz RHXAFOIAPDNLLB-CYBMUJFWSA-N -1 3 309.373 2.991 20 0 DFADHM FC(F)CN(Cc1ccc(-c2nnn[n-]2)cc1)CC1CCC1 ZINC000826369795 608064867 /nfs/dbraw/zinc/06/48/67/608064867.db2.gz QQDLSFRDGGGJTG-UHFFFAOYSA-N -1 3 307.348 2.734 20 0 DFADHM FC(F)CN(Cc1ccc(-c2nn[n-]n2)cc1)CC1CCC1 ZINC000826369795 608064868 /nfs/dbraw/zinc/06/48/68/608064868.db2.gz QQDLSFRDGGGJTG-UHFFFAOYSA-N -1 3 307.348 2.734 20 0 DFADHM Cn1c2ccccc2nc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826355928 608098282 /nfs/dbraw/zinc/09/82/82/608098282.db2.gz SZPBTIPYPZWSRZ-UHFFFAOYSA-N -1 3 323.335 2.505 20 0 DFADHM CCC[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)C ZINC000825225009 608114504 /nfs/dbraw/zinc/11/45/04/608114504.db2.gz JISQKYWHUWDDTL-CYBMUJFWSA-N -1 3 319.384 2.694 20 0 DFADHM CCC[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)C ZINC000825225009 608114505 /nfs/dbraw/zinc/11/45/05/608114505.db2.gz JISQKYWHUWDDTL-CYBMUJFWSA-N -1 3 319.384 2.694 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccn1C(C)C ZINC000826278704 608120850 /nfs/dbraw/zinc/12/08/50/608120850.db2.gz OVSYCHAEUMBMKS-UHFFFAOYSA-N -1 3 310.361 2.810 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccn1C(C)C ZINC000826278704 608120851 /nfs/dbraw/zinc/12/08/51/608120851.db2.gz OVSYCHAEUMBMKS-UHFFFAOYSA-N -1 3 310.361 2.810 20 0 DFADHM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824393610 608123407 /nfs/dbraw/zinc/12/34/07/608123407.db2.gz UCIGVNXRZPBJRK-TVQRCGJNSA-N -1 3 317.324 2.523 20 0 DFADHM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824393610 608123408 /nfs/dbraw/zinc/12/34/08/608123408.db2.gz UCIGVNXRZPBJRK-TVQRCGJNSA-N -1 3 317.324 2.523 20 0 DFADHM c1ccc2c(c1)nc(N1CC[C@@H](C3CC3)C1)cc2-c1nnn[n-]1 ZINC000826522884 608152277 /nfs/dbraw/zinc/15/22/77/608152277.db2.gz SDDOYUAGRTWTBK-GFCCVEGCSA-N -1 3 306.373 2.651 20 0 DFADHM c1ccc2c(c1)nc(N1CC[C@@H](C3CC3)C1)cc2-c1nn[n-]n1 ZINC000826522884 608152279 /nfs/dbraw/zinc/15/22/79/608152279.db2.gz SDDOYUAGRTWTBK-GFCCVEGCSA-N -1 3 306.373 2.651 20 0 DFADHM O=C(CCCC(F)(F)F)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826405509 608162613 /nfs/dbraw/zinc/16/26/13/608162613.db2.gz IMZIANMOPPSLPI-UHFFFAOYSA-N -1 3 317.246 2.677 20 0 DFADHM O=C(CCCC(F)(F)F)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826405509 608162614 /nfs/dbraw/zinc/16/26/14/608162614.db2.gz IMZIANMOPPSLPI-UHFFFAOYSA-N -1 3 317.246 2.677 20 0 DFADHM O=C(O[C@H]1CCOc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826467946 608166899 /nfs/dbraw/zinc/16/68/99/608166899.db2.gz SGUVEZLOCFAYFQ-HNNXBMFYSA-N -1 3 322.324 2.547 20 0 DFADHM O=C(O[C@H]1CCOc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826467946 608166900 /nfs/dbraw/zinc/16/69/00/608166900.db2.gz SGUVEZLOCFAYFQ-HNNXBMFYSA-N -1 3 322.324 2.547 20 0 DFADHM C[C@H]1C[C@@H](CNc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824882827 608195482 /nfs/dbraw/zinc/19/54/82/608195482.db2.gz CRQPAIYAVQHMLW-UWVGGRQHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H]1C[C@@H](CNc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824882827 608195484 /nfs/dbraw/zinc/19/54/84/608195484.db2.gz CRQPAIYAVQHMLW-UWVGGRQHSA-N -1 3 307.785 2.747 20 0 DFADHM Cc1ccnc(Cl)c1OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826308799 608206570 /nfs/dbraw/zinc/20/65/70/608206570.db2.gz QJODVTPSDIXGBC-UHFFFAOYSA-N -1 3 319.727 2.942 20 0 DFADHM Cc1ccnc(Cl)c1OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826308799 608206572 /nfs/dbraw/zinc/20/65/72/608206572.db2.gz QJODVTPSDIXGBC-UHFFFAOYSA-N -1 3 319.727 2.942 20 0 DFADHM CO[C@@H]1C[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C1(C)C ZINC000826144360 608231753 /nfs/dbraw/zinc/23/17/53/608231753.db2.gz HJXHCYWYKIKBPC-ZIAGYGMSSA-N -1 3 324.388 2.640 20 0 DFADHM CO[C@@H]1C[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C1(C)C ZINC000826144360 608231755 /nfs/dbraw/zinc/23/17/55/608231755.db2.gz HJXHCYWYKIKBPC-ZIAGYGMSSA-N -1 3 324.388 2.640 20 0 DFADHM Fc1ccc(COc2ccc3cncnc3c2)c(-c2nnn[n-]2)c1 ZINC000826374558 608234759 /nfs/dbraw/zinc/23/47/59/608234759.db2.gz DKDQBQYJUKPDNB-UHFFFAOYSA-N -1 3 322.303 2.528 20 0 DFADHM Fc1ccc(COc2ccc3cncnc3c2)c(-c2nn[n-]n2)c1 ZINC000826374558 608234760 /nfs/dbraw/zinc/23/47/60/608234760.db2.gz DKDQBQYJUKPDNB-UHFFFAOYSA-N -1 3 322.303 2.528 20 0 DFADHM CC(C)(CCCO)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824152575 608243887 /nfs/dbraw/zinc/24/38/87/608243887.db2.gz IGYHDMIYPCDTTK-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CC(C)(CCCO)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824152575 608243888 /nfs/dbraw/zinc/24/38/88/608243888.db2.gz IGYHDMIYPCDTTK-UHFFFAOYSA-N -1 3 309.801 2.731 20 0 DFADHM CCC(CC)CCOC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825107441 608275798 /nfs/dbraw/zinc/27/57/98/608275798.db2.gz OBJFWTJQXXVYNE-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)Cc2ccccc2C)n1 ZINC000826275351 608278832 /nfs/dbraw/zinc/27/88/32/608278832.db2.gz XHEICKPJCSRRRL-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)Cc2ccccc2C)n1 ZINC000826275351 608278833 /nfs/dbraw/zinc/27/88/33/608278833.db2.gz XHEICKPJCSRRRL-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](c3ccccc3C)C2)n1 ZINC000826274633 608282004 /nfs/dbraw/zinc/28/20/04/608282004.db2.gz XWNHPYPEICMNBI-CQSZACIVSA-N -1 3 320.400 2.872 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](c3ccccc3C)C2)n1 ZINC000826274633 608282005 /nfs/dbraw/zinc/28/20/05/608282005.db2.gz XWNHPYPEICMNBI-CQSZACIVSA-N 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/nfs/dbraw/zinc/29/96/55/608299655.db2.gz VUFCJTRZMPFXQW-AWEZNQCLSA-N -1 3 318.425 2.823 20 0 DFADHM Cc1nnc(CSCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000826336353 608299878 /nfs/dbraw/zinc/29/98/78/608299878.db2.gz VNGFSNQEEUZTQD-UHFFFAOYSA-N -1 3 322.394 2.599 20 0 DFADHM Cc1nnc(CSCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000826336353 608299880 /nfs/dbraw/zinc/29/98/80/608299880.db2.gz VNGFSNQEEUZTQD-UHFFFAOYSA-N -1 3 322.394 2.599 20 0 DFADHM Cc1nnc(CSCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000826335890 608300057 /nfs/dbraw/zinc/30/00/57/608300057.db2.gz FXAVMZFNXSKXLF-UHFFFAOYSA-N -1 3 322.394 2.599 20 0 DFADHM Cc1nnc(CSCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826335890 608300059 /nfs/dbraw/zinc/30/00/59/608300059.db2.gz FXAVMZFNXSKXLF-UHFFFAOYSA-N -1 3 322.394 2.599 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)[C@H]2COc3ccccc32)n1 ZINC000826274969 608300394 /nfs/dbraw/zinc/30/03/94/608300394.db2.gz KMDINVGSJWRPMP-BXUZGUMPSA-N -1 3 322.372 2.547 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)[C@H]2COc3ccccc32)n1 ZINC000826274969 608300395 /nfs/dbraw/zinc/30/03/95/608300395.db2.gz KMDINVGSJWRPMP-BXUZGUMPSA-N -1 3 322.372 2.547 20 0 DFADHM CCc1cccnc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825728431 608318399 /nfs/dbraw/zinc/31/83/99/608318399.db2.gz OXSZJLXVHSVJJG-LLVKDONJSA-N -1 3 323.356 2.742 20 0 DFADHM CCc1cccnc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825728431 608318401 /nfs/dbraw/zinc/31/84/01/608318401.db2.gz OXSZJLXVHSVJJG-LLVKDONJSA-N -1 3 323.356 2.742 20 0 DFADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC000826467134 608321343 /nfs/dbraw/zinc/32/13/43/608321343.db2.gz INTHYRJMNCKBEJ-UHFFFAOYSA-N -1 3 320.308 2.970 20 0 DFADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC000826467134 608321345 /nfs/dbraw/zinc/32/13/45/608321345.db2.gz INTHYRJMNCKBEJ-UHFFFAOYSA-N -1 3 320.308 2.970 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1cc(F)cc(F)c1 ZINC000826173006 608323582 /nfs/dbraw/zinc/32/35/82/608323582.db2.gz ILERRLXZVSDHOZ-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1cc(F)cc(F)c1 ZINC000826173006 608323584 /nfs/dbraw/zinc/32/35/84/608323584.db2.gz ILERRLXZVSDHOZ-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H]2Cc3ccccc32)n1 ZINC000826262787 608371422 /nfs/dbraw/zinc/37/14/22/608371422.db2.gz YUOSAVISHLJOQG-ZDUSSCGKSA-N -1 3 306.373 2.630 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H]2Cc3ccccc32)n1 ZINC000826262787 608371424 /nfs/dbraw/zinc/37/14/24/608371424.db2.gz YUOSAVISHLJOQG-ZDUSSCGKSA-N -1 3 306.373 2.630 20 0 DFADHM CN(Cc1cccs1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825985900 608384715 /nfs/dbraw/zinc/38/47/15/608384715.db2.gz FHHIBZUJTVTWNV-UHFFFAOYSA-N -1 3 303.366 2.699 20 0 DFADHM CN(Cc1cccs1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825985900 608384717 /nfs/dbraw/zinc/38/47/17/608384717.db2.gz FHHIBZUJTVTWNV-UHFFFAOYSA-N -1 3 303.366 2.699 20 0 DFADHM Cc1occc1CN(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826342260 608389383 /nfs/dbraw/zinc/38/93/83/608389383.db2.gz CTZYRUFXTHINJP-UHFFFAOYSA-N -1 3 301.325 2.539 20 0 DFADHM Cc1occc1CN(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000826342260 608389385 /nfs/dbraw/zinc/38/93/85/608389385.db2.gz CTZYRUFXTHINJP-UHFFFAOYSA-N -1 3 301.325 2.539 20 0 DFADHM Cc1ccc2c(c1)N(Cc1cccc(-c3nnn[n-]3)c1F)CC2 ZINC000826294263 608402992 /nfs/dbraw/zinc/40/29/92/608402992.db2.gz MXABEKKNWLQDBU-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM Cc1ccc2c(c1)N(Cc1cccc(-c3nn[n-]n3)c1F)CC2 ZINC000826294263 608402994 /nfs/dbraw/zinc/40/29/94/608402994.db2.gz MXABEKKNWLQDBU-UHFFFAOYSA-N -1 3 309.348 2.877 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000826146142 608417393 /nfs/dbraw/zinc/41/73/93/608417393.db2.gz QUTPSLOTMYLAOD-SWLSCSKDSA-N -1 3 324.388 2.642 20 0 DFADHM CO[C@@H]1CCC[C@H]1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000826146142 608417394 /nfs/dbraw/zinc/41/73/94/608417394.db2.gz QUTPSLOTMYLAOD-SWLSCSKDSA-N -1 3 324.388 2.642 20 0 DFADHM CCc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1CC ZINC000825712167 608431002 /nfs/dbraw/zinc/43/10/02/608431002.db2.gz LLAHIUKQQOTNKN-UHFFFAOYSA-N -1 3 324.388 2.582 20 0 DFADHM CCc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1CC ZINC000825712167 608431005 /nfs/dbraw/zinc/43/10/05/608431005.db2.gz LLAHIUKQQOTNKN-UHFFFAOYSA-N -1 3 324.388 2.582 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1 ZINC000826466867 608436526 /nfs/dbraw/zinc/43/65/26/608436526.db2.gz WLTNCZKDSMKXGC-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1 ZINC000826466867 608436528 /nfs/dbraw/zinc/43/65/28/608436528.db2.gz WLTNCZKDSMKXGC-UHFFFAOYSA-N -1 3 316.267 2.502 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824929771 608449166 /nfs/dbraw/zinc/44/91/66/608449166.db2.gz YQYZKADTRZOHHT-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824929771 608449167 /nfs/dbraw/zinc/44/91/67/608449167.db2.gz YQYZKADTRZOHHT-MNOVXSKESA-N -1 3 318.352 2.875 20 0 DFADHM O=C(CCC1CCC1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826405927 608451588 /nfs/dbraw/zinc/45/15/88/608451588.db2.gz ZUISIIPVQVFJFG-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM O=C(CCC1CCC1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826405927 608451589 /nfs/dbraw/zinc/45/15/89/608451589.db2.gz ZUISIIPVQVFJFG-UHFFFAOYSA-N -1 3 304.325 2.629 20 0 DFADHM C[C@H](NCc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633261 608465771 /nfs/dbraw/zinc/46/57/71/608465771.db2.gz JICQJZKXQBJPFC-NSHDSACASA-N -1 3 320.356 2.859 20 0 DFADHM O=C(NOC1CCCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826449939 608477027 /nfs/dbraw/zinc/47/70/27/608477027.db2.gz PSCQFUJDIBGVOD-UHFFFAOYSA-N -1 3 322.756 2.516 20 0 DFADHM O=C(NOC1CCCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826449939 608477028 /nfs/dbraw/zinc/47/70/28/608477028.db2.gz PSCQFUJDIBGVOD-UHFFFAOYSA-N -1 3 322.756 2.516 20 0 DFADHM CCCc1csc(NC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825352818 608490532 /nfs/dbraw/zinc/49/05/32/608490532.db2.gz QTPLMUFZRRMSGB-UHFFFAOYSA-N -1 3 314.374 2.528 20 0 DFADHM CCCc1csc(NC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825352818 608490534 /nfs/dbraw/zinc/49/05/34/608490534.db2.gz QTPLMUFZRRMSGB-UHFFFAOYSA-N -1 3 314.374 2.528 20 0 DFADHM C[C@@H](c1ccco1)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824770815 608647168 /nfs/dbraw/zinc/64/71/68/608647168.db2.gz MTVJQKCOSHZVTO-JTQLQIEISA-N -1 3 301.325 2.792 20 0 DFADHM C[C@@H](c1ccco1)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824770815 608647172 /nfs/dbraw/zinc/64/71/72/608647172.db2.gz MTVJQKCOSHZVTO-JTQLQIEISA-N -1 3 301.325 2.792 20 0 DFADHM CCOC(=O)C[C@@H](C)SCc1cccc(-c2nnn[n-]2)c1F ZINC000825506448 608670870 /nfs/dbraw/zinc/67/08/70/608670870.db2.gz KHGCDSZXWCVEGA-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM CCOC(=O)C[C@@H](C)SCc1cccc(-c2nn[n-]n2)c1F ZINC000825506448 608670871 /nfs/dbraw/zinc/67/08/71/608670871.db2.gz KHGCDSZXWCVEGA-SECBINFHSA-N -1 3 324.381 2.581 20 0 DFADHM FC(F)(F)C1=CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000826366956 608724940 /nfs/dbraw/zinc/72/49/40/608724940.db2.gz FHUDWOWFSQGFSG-UHFFFAOYSA-N -1 3 315.324 2.623 20 0 DFADHM FC(F)(F)C1=CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000826366956 608724941 /nfs/dbraw/zinc/72/49/41/608724941.db2.gz FHUDWOWFSQGFSG-UHFFFAOYSA-N -1 3 315.324 2.623 20 0 DFADHM Cn1cccc1[C@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826363560 608744856 /nfs/dbraw/zinc/74/48/56/608744856.db2.gz SGYMXIVZKBFPDG-CQSZACIVSA-N -1 3 312.377 2.525 20 0 DFADHM C[C@@H](Cc1ccccc1Cl)Nc1cnccc1-c1nnn[n-]1 ZINC000824457719 608773357 /nfs/dbraw/zinc/77/33/57/608773357.db2.gz QVARNEROHMHWJC-JTQLQIEISA-N -1 3 314.780 2.958 20 0 DFADHM C[C@@H](Cc1ccccc1Cl)Nc1cnccc1-c1nn[n-]n1 ZINC000824457719 608773359 /nfs/dbraw/zinc/77/33/59/608773359.db2.gz QVARNEROHMHWJC-JTQLQIEISA-N -1 3 314.780 2.958 20 0 DFADHM CC(C)COc1cccc(CNc2cnccc2-c2nnn[n-]2)c1 ZINC000824272540 608775998 /nfs/dbraw/zinc/77/59/98/608775998.db2.gz ZYBLBWMGZLQSMB-UHFFFAOYSA-N -1 3 324.388 2.909 20 0 DFADHM CC(C)COc1cccc(CNc2cnccc2-c2nn[n-]n2)c1 ZINC000824272540 608776000 /nfs/dbraw/zinc/77/60/00/608776000.db2.gz ZYBLBWMGZLQSMB-UHFFFAOYSA-N -1 3 324.388 2.909 20 0 DFADHM Cc1ccc(C(C)(C)CNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826282614 608779641 /nfs/dbraw/zinc/77/96/41/608779641.db2.gz XNHYUDRCUIGYRW-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1ccc(C(C)(C)CNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826282614 608779642 /nfs/dbraw/zinc/77/96/42/608779642.db2.gz XNHYUDRCUIGYRW-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1[nH]c2ccccc2c1CCNc1cnccc1-c1nnn[n-]1 ZINC000826233527 608779644 /nfs/dbraw/zinc/77/96/44/608779644.db2.gz LBIUNOXHEXKLCO-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1[nH]c2ccccc2c1CCNc1cnccc1-c1nn[n-]n1 ZINC000826233527 608779645 /nfs/dbraw/zinc/77/96/45/608779645.db2.gz LBIUNOXHEXKLCO-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM c1ccc(OC2CCC2)c(CNc2cnccc2-c2nnn[n-]2)c1 ZINC000826522025 608788361 /nfs/dbraw/zinc/78/83/61/608788361.db2.gz IRTZILLAWZBHLL-UHFFFAOYSA-N -1 3 322.372 2.805 20 0 DFADHM c1ccc(OC2CCC2)c(CNc2cnccc2-c2nn[n-]n2)c1 ZINC000826522025 608788362 /nfs/dbraw/zinc/78/83/62/608788362.db2.gz IRTZILLAWZBHLL-UHFFFAOYSA-N -1 3 322.372 2.805 20 0 DFADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1cnccc1-c1nnn[n-]1 ZINC000824858179 608789195 /nfs/dbraw/zinc/78/91/95/608789195.db2.gz IGKLPJVRBIWFPP-UKRRQHHQSA-N -1 3 320.400 2.719 20 0 DFADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1cnccc1-c1nn[n-]n1 ZINC000824858179 608789198 /nfs/dbraw/zinc/78/91/98/608789198.db2.gz IGKLPJVRBIWFPP-UKRRQHHQSA-N -1 3 320.400 2.719 20 0 DFADHM CCC(CC)[C@H](CCNc1cnccc1-c1nnn[n-]1)OC ZINC000825095932 608794179 /nfs/dbraw/zinc/79/41/79/608794179.db2.gz KSDABCFPBGPVRS-AWEZNQCLSA-N -1 3 304.398 2.515 20 0 DFADHM CCC(CC)[C@H](CCNc1cnccc1-c1nn[n-]n1)OC ZINC000825095932 608794183 /nfs/dbraw/zinc/79/41/83/608794183.db2.gz KSDABCFPBGPVRS-AWEZNQCLSA-N -1 3 304.398 2.515 20 0 DFADHM CC(C)CCCSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824243505 609181454 /nfs/dbraw/zinc/18/14/54/609181454.db2.gz HPURLFVWQYOFRZ-UHFFFAOYSA-N -1 3 319.434 2.975 20 0 DFADHM CC(C)CCCSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824243505 609181456 /nfs/dbraw/zinc/18/14/56/609181456.db2.gz HPURLFVWQYOFRZ-UHFFFAOYSA-N -1 3 319.434 2.975 20 0 DFADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824079240 609194493 /nfs/dbraw/zinc/19/44/93/609194493.db2.gz NNBLLPUDYQBUTE-NWDGAFQWSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824079240 609194495 /nfs/dbraw/zinc/19/44/95/609194495.db2.gz NNBLLPUDYQBUTE-NWDGAFQWSA-N -1 3 316.409 2.530 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824915208 609228231 /nfs/dbraw/zinc/22/82/31/609228231.db2.gz CIGMXWGCQBVNTD-YGRLFVJLSA-N -1 3 322.372 2.563 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824915208 609228232 /nfs/dbraw/zinc/22/82/32/609228232.db2.gz CIGMXWGCQBVNTD-YGRLFVJLSA-N -1 3 322.372 2.563 20 0 DFADHM C[C@H](Nc1ccc2c(c1)CCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824658389 609236980 /nfs/dbraw/zinc/23/69/80/609236980.db2.gz WRPWMKQHIHREAH-NSHDSACASA-N -1 3 307.357 2.975 20 0 DFADHM C[C@H](Nc1ccc2c(c1)CCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824658389 609236982 /nfs/dbraw/zinc/23/69/82/609236982.db2.gz WRPWMKQHIHREAH-NSHDSACASA-N -1 3 307.357 2.975 20 0 DFADHM C[C@H](Nc1ccc2c(c1)ncn2C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824655481 609279382 /nfs/dbraw/zinc/27/93/82/609279382.db2.gz CVGMXJDDUWCWPQ-NSHDSACASA-N -1 3 319.372 2.927 20 0 DFADHM CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825193360 609288729 /nfs/dbraw/zinc/28/87/29/609288729.db2.gz LCSDBPQRIDPEEW-SNVBAGLBSA-N -1 3 319.796 2.782 20 0 DFADHM CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825193360 609288730 /nfs/dbraw/zinc/28/87/30/609288730.db2.gz LCSDBPQRIDPEEW-SNVBAGLBSA-N -1 3 319.796 2.782 20 0 DFADHM CC1(C)C[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)C(C)(C)O1 ZINC000824788848 609318854 /nfs/dbraw/zinc/31/88/54/609318854.db2.gz CJKWJADHXBXEEP-LBPRGKRZSA-N -1 3 305.357 2.764 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)CCO1 ZINC000825108281 609322492 /nfs/dbraw/zinc/32/24/92/609322492.db2.gz VBMHXPNCCRMAOZ-OCCSQVGLSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)CCO1 ZINC000825108281 609322494 /nfs/dbraw/zinc/32/24/94/609322494.db2.gz VBMHXPNCCRMAOZ-OCCSQVGLSA-N -1 3 316.409 2.657 20 0 DFADHM Cc1ccsc1COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826316601 609338326 /nfs/dbraw/zinc/33/83/26/609338326.db2.gz SMCURLUHMNWROE-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM Cc1ccsc1COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826316601 609338328 /nfs/dbraw/zinc/33/83/28/609338328.db2.gz SMCURLUHMNWROE-UHFFFAOYSA-N -1 3 300.343 2.594 20 0 DFADHM C[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824469656 609375103 /nfs/dbraw/zinc/37/51/03/609375103.db2.gz BHMKFKVEGMJQBC-SMDDNHRTSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824469656 609375105 /nfs/dbraw/zinc/37/51/05/609375105.db2.gz BHMKFKVEGMJQBC-SMDDNHRTSA-N -1 3 313.405 2.870 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824795799 609391904 /nfs/dbraw/zinc/39/19/04/609391904.db2.gz FEAPLUQGXRMQEX-SNVBAGLBSA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824795799 609391906 /nfs/dbraw/zinc/39/19/06/609391906.db2.gz FEAPLUQGXRMQEX-SNVBAGLBSA-N -1 3 318.352 2.875 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2ccccc2-c2nnn[n-]2)C1 ZINC000824797210 609392838 /nfs/dbraw/zinc/39/28/38/609392838.db2.gz XCWXFTMZAAQHMM-NSHDSACASA-N -1 3 300.362 2.736 20 0 DFADHM CC1(C)CC[C@H](C(=O)OCc2ccccc2-c2nn[n-]n2)C1 ZINC000824797210 609392840 /nfs/dbraw/zinc/39/28/40/609392840.db2.gz XCWXFTMZAAQHMM-NSHDSACASA-N -1 3 300.362 2.736 20 0 DFADHM CC1(C)CC[C@H](C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824795740 609394239 /nfs/dbraw/zinc/39/42/39/609394239.db2.gz CFCLAGOUKCYGON-VIFPVBQESA-N -1 3 303.341 2.771 20 0 DFADHM CC1(C)CC[C@H](C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824795740 609394241 /nfs/dbraw/zinc/39/42/41/609394241.db2.gz CFCLAGOUKCYGON-VIFPVBQESA-N -1 3 303.341 2.771 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)C1 ZINC000824915947 609412513 /nfs/dbraw/zinc/41/25/13/609412513.db2.gz IXGJGUTYEONFQM-BMIGLBTASA-N -1 3 317.418 2.581 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)C1 ZINC000824915947 609412514 /nfs/dbraw/zinc/41/25/14/609412514.db2.gz IXGJGUTYEONFQM-BMIGLBTASA-N -1 3 317.418 2.581 20 0 DFADHM OCc1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826510283 609422758 /nfs/dbraw/zinc/42/27/58/609422758.db2.gz IJBQXROBRZBRSQ-UHFFFAOYSA-N -1 3 316.361 2.790 20 0 DFADHM OCc1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826510283 609422759 /nfs/dbraw/zinc/42/27/59/609422759.db2.gz IJBQXROBRZBRSQ-UHFFFAOYSA-N -1 3 316.361 2.790 20 0 DFADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CC=CCC3)c2c1 ZINC000826264002 609429521 /nfs/dbraw/zinc/42/95/21/609429521.db2.gz YXAJBPPNFYGSPL-UHFFFAOYSA-N -1 3 306.373 2.798 20 0 DFADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CC=CCC3)c2c1 ZINC000826264002 609429522 /nfs/dbraw/zinc/42/95/22/609429522.db2.gz YXAJBPPNFYGSPL-UHFFFAOYSA-N -1 3 306.373 2.798 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cnc2c(c1)CCCC2 ZINC000826371386 609444632 /nfs/dbraw/zinc/44/46/32/609444632.db2.gz DVSDCCCOUORVGZ-UHFFFAOYSA-N -1 3 324.363 2.892 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cnc2c(c1)CCCC2 ZINC000826371386 609444634 /nfs/dbraw/zinc/44/46/34/609444634.db2.gz DVSDCCCOUORVGZ-UHFFFAOYSA-N -1 3 324.363 2.892 20 0 DFADHM C[C@H](c1ccccc1)N(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000824772736 609449849 /nfs/dbraw/zinc/44/98/49/609449849.db2.gz XAWWGUQQXFNPMP-LLVKDONJSA-N -1 3 322.372 2.561 20 0 DFADHM C[C@H](c1ccccc1)N(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000824772736 609449851 /nfs/dbraw/zinc/44/98/51/609449851.db2.gz XAWWGUQQXFNPMP-LLVKDONJSA-N -1 3 322.372 2.561 20 0 DFADHM C[C@H](CCc1ccco1)Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000824412672 609456164 /nfs/dbraw/zinc/45/61/64/609456164.db2.gz DJAJWHYHNQIBRQ-LLVKDONJSA-N -1 3 323.360 2.541 20 0 DFADHM C[C@H](CCc1ccco1)Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000824412672 609456166 /nfs/dbraw/zinc/45/61/66/609456166.db2.gz DJAJWHYHNQIBRQ-LLVKDONJSA-N -1 3 323.360 2.541 20 0 DFADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824925499 609469021 /nfs/dbraw/zinc/46/90/21/609469021.db2.gz DHPHTPWTLWHQHT-PSASIEDQSA-N -1 3 305.769 2.895 20 0 DFADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824925499 609469022 /nfs/dbraw/zinc/46/90/22/609469022.db2.gz DHPHTPWTLWHQHT-PSASIEDQSA-N -1 3 305.769 2.895 20 0 DFADHM c1ccc2c(c1)OCC[C@@H]2CNc1cccc(-c2nnn[n-]2)c1 ZINC000826516800 609475535 /nfs/dbraw/zinc/47/55/35/609475535.db2.gz BPHSCPSBTXGWER-CYBMUJFWSA-N -1 3 307.357 2.845 20 0 DFADHM c1ccc2c(c1)OCC[C@@H]2CNc1cccc(-c2nn[n-]n2)c1 ZINC000826516800 609475538 /nfs/dbraw/zinc/47/55/38/609475538.db2.gz BPHSCPSBTXGWER-CYBMUJFWSA-N -1 3 307.357 2.845 20 0 DFADHM COc1ccc(F)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826208829 609481563 /nfs/dbraw/zinc/48/15/63/609481563.db2.gz BNGWLZTUAVLKNJ-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1ccc(F)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826208829 609481564 /nfs/dbraw/zinc/48/15/64/609481564.db2.gz BNGWLZTUAVLKNJ-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM Cc1ccc2ncc(CNc3cc(-c4nn[n-]n4)ccc3C)n2c1 ZINC000826295520 609482940 /nfs/dbraw/zinc/48/29/40/609482940.db2.gz KNRSRLPSSPRIGI-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM COCc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000826164619 609488849 /nfs/dbraw/zinc/48/88/49/609488849.db2.gz JARAPYVGVXXMCW-UHFFFAOYSA-N -1 3 309.373 2.934 20 0 DFADHM COCc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000826164619 609488850 /nfs/dbraw/zinc/48/88/50/609488850.db2.gz JARAPYVGVXXMCW-UHFFFAOYSA-N -1 3 309.373 2.934 20 0 DFADHM CC(C)Oc1ccc(NCc2ccncc2)cc1-c1nnn[n-]1 ZINC000824329199 609492014 /nfs/dbraw/zinc/49/20/14/609492014.db2.gz KYWGDTQNRDPPRT-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)Oc1ccc(NCc2ccncc2)cc1-c1nn[n-]n1 ZINC000824329199 609492015 /nfs/dbraw/zinc/49/20/15/609492015.db2.gz KYWGDTQNRDPPRT-UHFFFAOYSA-N -1 3 310.361 2.661 20 0 DFADHM CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824080163 609495818 /nfs/dbraw/zinc/49/58/18/609495818.db2.gz VMQWWQFUQXFQQR-GFCCVEGCSA-N -1 3 314.393 2.767 20 0 DFADHM CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824080163 609495823 /nfs/dbraw/zinc/49/58/23/609495823.db2.gz VMQWWQFUQXFQQR-GFCCVEGCSA-N -1 3 314.393 2.767 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccnc1C1CC1 ZINC000826453867 609500247 /nfs/dbraw/zinc/50/02/47/609500247.db2.gz BVVSHZSZQARGCI-UHFFFAOYSA-N -1 3 324.319 2.531 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccnc1C1CC1 ZINC000826453867 609500249 /nfs/dbraw/zinc/50/02/49/609500249.db2.gz BVVSHZSZQARGCI-UHFFFAOYSA-N -1 3 324.319 2.531 20 0 DFADHM C[C@H]1CC(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000824876197 609504431 /nfs/dbraw/zinc/50/44/31/609504431.db2.gz RDQNXIVVWKIIOF-GHMZBOCLSA-N -1 3 300.362 2.844 20 0 DFADHM C[C@H]1CC(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000824876197 609504433 /nfs/dbraw/zinc/50/44/33/609504433.db2.gz RDQNXIVVWKIIOF-GHMZBOCLSA-N -1 3 300.362 2.844 20 0 DFADHM Cc1noc(C2CC2)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826339513 609508680 /nfs/dbraw/zinc/50/86/80/609508680.db2.gz HIKHKQJWCRXKLO-UHFFFAOYSA-N -1 3 324.344 2.601 20 0 DFADHM Cc1noc(C2CC2)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826339513 609508682 /nfs/dbraw/zinc/50/86/82/609508682.db2.gz HIKHKQJWCRXKLO-UHFFFAOYSA-N -1 3 324.344 2.601 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826242179 609508713 /nfs/dbraw/zinc/50/87/13/609508713.db2.gz DFOZLJZYSXHAHB-NSHDSACASA-N -1 3 307.357 2.917 20 0 DFADHM Cc1c(NC(=O)[C@@H](C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826242179 609508715 /nfs/dbraw/zinc/50/87/15/609508715.db2.gz DFOZLJZYSXHAHB-NSHDSACASA-N -1 3 307.357 2.917 20 0 DFADHM C[C@H]1CCC[C@H]1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824928109 609512226 /nfs/dbraw/zinc/51/22/26/609512226.db2.gz RDFWGLMVPBYMAX-JOYOIKCWSA-N -1 3 320.780 3.000 20 0 DFADHM C[C@H]1CCC[C@H]1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824928109 609512228 /nfs/dbraw/zinc/51/22/28/609512228.db2.gz RDFWGLMVPBYMAX-JOYOIKCWSA-N -1 3 320.780 3.000 20 0 DFADHM Cc1ccnc(N(Cc2ccccc2F)C2CC2)c1-c1nnn[n-]1 ZINC000826309224 609529666 /nfs/dbraw/zinc/52/96/66/609529666.db2.gz IDQQCFUBAHFXPA-UHFFFAOYSA-N -1 3 324.363 2.878 20 0 DFADHM Cc1ccnc(N(Cc2ccccc2F)C2CC2)c1-c1nn[n-]n1 ZINC000826309224 609529669 /nfs/dbraw/zinc/52/96/69/609529669.db2.gz IDQQCFUBAHFXPA-UHFFFAOYSA-N -1 3 324.363 2.878 20 0 DFADHM Cc1ccnc(N[C@H](C)Cc2cccs2)c1-c1nnn[n-]1 ZINC000826312040 609531565 /nfs/dbraw/zinc/53/15/65/609531565.db2.gz UNRWSHJQIGRDBK-SNVBAGLBSA-N -1 3 300.391 2.675 20 0 DFADHM Cc1ccnc(N[C@H](C)Cc2cccs2)c1-c1nn[n-]n1 ZINC000826312040 609531566 /nfs/dbraw/zinc/53/15/66/609531566.db2.gz UNRWSHJQIGRDBK-SNVBAGLBSA-N -1 3 300.391 2.675 20 0 DFADHM COc1ccc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826189334 609542130 /nfs/dbraw/zinc/54/21/30/609542130.db2.gz SZTYJUVLDQVDLM-LLVKDONJSA-N -1 3 310.361 2.752 20 0 DFADHM COc1ccc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826189334 609542131 /nfs/dbraw/zinc/54/21/31/609542131.db2.gz SZTYJUVLDQVDLM-LLVKDONJSA-N -1 3 310.361 2.752 20 0 DFADHM Cc1ccnc(NCc2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826313989 609542993 /nfs/dbraw/zinc/54/29/93/609542993.db2.gz ASTSATABFCOGJL-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Cc1ccnc(NCc2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826313989 609542995 /nfs/dbraw/zinc/54/29/95/609542995.db2.gz ASTSATABFCOGJL-UHFFFAOYSA-N -1 3 318.743 2.975 20 0 DFADHM Cc1ccnc(N(C)C[C@@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826309398 609547036 /nfs/dbraw/zinc/54/70/36/609547036.db2.gz NWDAPJHXOTZODU-CYBMUJFWSA-N -1 3 308.389 2.810 20 0 DFADHM Cc1ccnc(N(C)C[C@@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826309398 609547037 /nfs/dbraw/zinc/54/70/37/609547037.db2.gz NWDAPJHXOTZODU-CYBMUJFWSA-N -1 3 308.389 2.810 20 0 DFADHM CCc1nc([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cs1 ZINC000825745766 609550239 /nfs/dbraw/zinc/55/02/39/609550239.db2.gz OHEOGFUXJQMWDS-VIFPVBQESA-N -1 3 315.406 2.762 20 0 DFADHM CCc1nc([C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cs1 ZINC000825745766 609550241 /nfs/dbraw/zinc/55/02/41/609550241.db2.gz OHEOGFUXJQMWDS-VIFPVBQESA-N -1 3 315.406 2.762 20 0 DFADHM Cc1ccnc(NCCc2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000826314179 609552388 /nfs/dbraw/zinc/55/23/88/609552388.db2.gz KDWZMBNWIVPJQR-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1ccnc(NCCc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826314179 609552391 /nfs/dbraw/zinc/55/23/91/609552391.db2.gz KDWZMBNWIVPJQR-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM CSCC[C@@H](C)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826227999 609556373 /nfs/dbraw/zinc/55/63/73/609556373.db2.gz AZVKABROKQFQMU-SSDOTTSWSA-N -1 3 312.830 2.777 20 0 DFADHM CSCC[C@@H](C)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826227999 609556374 /nfs/dbraw/zinc/55/63/74/609556374.db2.gz AZVKABROKQFQMU-SSDOTTSWSA-N -1 3 312.830 2.777 20 0 DFADHM Cc1ccnc(N[C@@H]2C[C@@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826313017 609560140 /nfs/dbraw/zinc/56/01/40/609560140.db2.gz UQEYUSCPQLWRBS-UONOGXRCSA-N -1 3 306.373 2.613 20 0 DFADHM Cc1ccnc(N[C@@H]2C[C@@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826313017 609560143 /nfs/dbraw/zinc/56/01/43/609560143.db2.gz UQEYUSCPQLWRBS-UONOGXRCSA-N -1 3 306.373 2.613 20 0 DFADHM CS[C@@H]1CC[C@@H](Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000826227399 609561545 /nfs/dbraw/zinc/56/15/45/609561545.db2.gz QGTSFDOFGGHEDW-RKDXNWHRSA-N -1 3 324.841 2.920 20 0 DFADHM CS[C@@H]1CC[C@@H](Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000826227399 609561546 /nfs/dbraw/zinc/56/15/46/609561546.db2.gz QGTSFDOFGGHEDW-RKDXNWHRSA-N -1 3 324.841 2.920 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@H](C)CC[C@H]2C)c1-c1nnn[n-]1 ZINC000826236837 609562993 /nfs/dbraw/zinc/56/29/93/609562993.db2.gz DDWBAUMUSLOQMB-RKDXNWHRSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@H](C)CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826236837 609562995 /nfs/dbraw/zinc/56/29/95/609562995.db2.gz DDWBAUMUSLOQMB-RKDXNWHRSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@@H](C)CC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826236836 609563169 /nfs/dbraw/zinc/56/31/69/609563169.db2.gz DDWBAUMUSLOQMB-IUCAKERBSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1c(Cl)cnc(N2C[C@@H](C)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826236836 609563170 /nfs/dbraw/zinc/56/31/70/609563170.db2.gz DDWBAUMUSLOQMB-IUCAKERBSA-N -1 3 306.801 2.848 20 0 DFADHM CCS[C@@H]1CC[C@@H](N(C)c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000825669174 609563212 /nfs/dbraw/zinc/56/32/12/609563212.db2.gz RPOBXJPDFHIYNG-VXGBXAGGSA-N -1 3 318.450 2.681 20 0 DFADHM CCS[C@@H]1CC[C@@H](N(C)c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000825669174 609563213 /nfs/dbraw/zinc/56/32/13/609563213.db2.gz RPOBXJPDFHIYNG-VXGBXAGGSA-N -1 3 318.450 2.681 20 0 DFADHM Cc1nc2c(s1)[C@@H](Nc1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000826328194 609565266 /nfs/dbraw/zinc/56/52/66/609565266.db2.gz IOIDGZVYSJOJSJ-NSHDSACASA-N -1 3 313.390 2.516 20 0 DFADHM Cc1nc2c(s1)[C@@H](Nc1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000826328194 609565268 /nfs/dbraw/zinc/56/52/68/609565268.db2.gz IOIDGZVYSJOJSJ-NSHDSACASA-N -1 3 313.390 2.516 20 0 DFADHM Cc1c(Cl)cnc(N[C@H]2CCCSC2)c1-c1nnn[n-]1 ZINC000826238352 609568348 /nfs/dbraw/zinc/56/83/48/609568348.db2.gz DKCOIKLZYPWMQS-QMMMGPOBSA-N -1 3 310.814 2.531 20 0 DFADHM Cc1c(Cl)cnc(N[C@H]2CCCSC2)c1-c1nn[n-]n1 ZINC000826238352 609568349 /nfs/dbraw/zinc/56/83/49/609568349.db2.gz DKCOIKLZYPWMQS-QMMMGPOBSA-N -1 3 310.814 2.531 20 0 DFADHM Cc1ccnc(N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826310222 609571731 /nfs/dbraw/zinc/57/17/31/609571731.db2.gz PGEITHBQEFLYEP-UBHSHLNASA-N -1 3 312.421 2.975 20 0 DFADHM Cc1ccnc(N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826310222 609571733 /nfs/dbraw/zinc/57/17/33/609571733.db2.gz PGEITHBQEFLYEP-UBHSHLNASA-N -1 3 312.421 2.975 20 0 DFADHM Cc1ccnc(N2CC[C@@](C)(c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826309752 609573639 /nfs/dbraw/zinc/57/36/39/609573639.db2.gz AMWDKFHPEJBJID-GOSISDBHSA-N -1 3 320.400 2.738 20 0 DFADHM Cc1ccnc(N2CC[C@@](C)(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826309752 609573642 /nfs/dbraw/zinc/57/36/42/609573642.db2.gz AMWDKFHPEJBJID-GOSISDBHSA-N -1 3 320.400 2.738 20 0 DFADHM Cc1cccc([C@@H]2CCCN2c2nccc(C)c2-c2nnn[n-]2)n1 ZINC000826297991 609578484 /nfs/dbraw/zinc/57/84/84/609578484.db2.gz YTWYRMRRCNHRHV-AWEZNQCLSA-N -1 3 321.388 2.615 20 0 DFADHM Cc1cccc([C@@H]2CCCN2c2nccc(C)c2-c2nn[n-]n2)n1 ZINC000826297991 609578486 /nfs/dbraw/zinc/57/84/86/609578486.db2.gz YTWYRMRRCNHRHV-AWEZNQCLSA-N -1 3 321.388 2.615 20 0 DFADHM Cc1ccnc(N[C@@H](c2cccnc2)C2CC2)c1-c1nnn[n-]1 ZINC000826312201 609583759 /nfs/dbraw/zinc/58/37/59/609583759.db2.gz XZAKIRJZLBAOIL-CQSZACIVSA-N -1 3 307.361 2.528 20 0 DFADHM Cc1ccnc(N[C@@H](c2cccnc2)C2CC2)c1-c1nn[n-]n1 ZINC000826312201 609583761 /nfs/dbraw/zinc/58/37/61/609583761.db2.gz XZAKIRJZLBAOIL-CQSZACIVSA-N -1 3 307.361 2.528 20 0 DFADHM CSCCCCCCNc1nc(C)ccc1-c1nnn[n-]1 ZINC000826228450 609588233 /nfs/dbraw/zinc/58/82/33/609588233.db2.gz PBKUDWBIGFWELK-UHFFFAOYSA-N -1 3 306.439 2.905 20 0 DFADHM CSCCCCCCNc1nc(C)ccc1-c1nn[n-]n1 ZINC000826228450 609588235 /nfs/dbraw/zinc/58/82/35/609588235.db2.gz PBKUDWBIGFWELK-UHFFFAOYSA-N -1 3 306.439 2.905 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825053010 609588743 /nfs/dbraw/zinc/58/87/43/609588743.db2.gz ZKONGUNAFVJHSG-RYUDHWBXSA-N -1 3 301.394 2.902 20 0 DFADHM CC[C@H](C)[C@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825053010 609588745 /nfs/dbraw/zinc/58/87/45/609588745.db2.gz ZKONGUNAFVJHSG-RYUDHWBXSA-N -1 3 301.394 2.902 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000824907247 609618715 /nfs/dbraw/zinc/61/87/15/609618715.db2.gz HFICJKUJSFOMQM-ZJUUUORDSA-N -1 3 320.780 3.000 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000824907247 609618716 /nfs/dbraw/zinc/61/87/16/609618716.db2.gz HFICJKUJSFOMQM-ZJUUUORDSA-N -1 3 320.780 3.000 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826465492 609619641 /nfs/dbraw/zinc/61/96/41/609619641.db2.gz PNONTTRKYXZYBQ-UHFFFAOYSA-N -1 3 314.732 2.877 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826465492 609619642 /nfs/dbraw/zinc/61/96/42/609619642.db2.gz PNONTTRKYXZYBQ-UHFFFAOYSA-N -1 3 314.732 2.877 20 0 DFADHM Cc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1F ZINC000826252360 609621724 /nfs/dbraw/zinc/62/17/24/609621724.db2.gz AGUOPBJRMVTQGQ-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Cc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1F ZINC000826252360 609621725 /nfs/dbraw/zinc/62/17/25/609621725.db2.gz AGUOPBJRMVTQGQ-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825051457 609639395 /nfs/dbraw/zinc/63/93/95/609639395.db2.gz PYGYLQIEJKEXRY-KTKRTIGZSA-N -1 3 304.325 2.795 20 0 DFADHM CC/C(C)=C(/C)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825051457 609639396 /nfs/dbraw/zinc/63/93/96/609639396.db2.gz PYGYLQIEJKEXRY-KTKRTIGZSA-N -1 3 304.325 2.795 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000825058897 609642181 /nfs/dbraw/zinc/64/21/81/609642181.db2.gz BDXHZXXEUWIVBG-NXEZZACHSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000825058897 609642183 /nfs/dbraw/zinc/64/21/83/609642183.db2.gz BDXHZXXEUWIVBG-NXEZZACHSA-N -1 3 306.341 2.731 20 0 DFADHM CCOCc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000076937062 185058516 /nfs/dbraw/zinc/05/85/16/185058516.db2.gz VVEZJSURRSCTHS-OAHLLOKOSA-N -1 3 313.419 2.534 20 0 DFADHM CC(C)(O)CO[N-]C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000278501671 214194630 /nfs/dbraw/zinc/19/46/30/214194630.db2.gz ALGBVAZLWWBOHO-QWRGUYRKSA-N -1 3 318.200 2.916 20 0 DFADHM CCCn1ccc2ccc(NC([O-])=NOCC(C)(C)O)cc21 ZINC000278554133 214232309 /nfs/dbraw/zinc/23/23/09/214232309.db2.gz LUFFBJXAZFGLJR-UHFFFAOYSA-N -1 3 305.378 2.875 20 0 DFADHM CCCn1ccc2ccc(NC(=O)[N-]OCC(C)(C)O)cc21 ZINC000278554133 214232313 /nfs/dbraw/zinc/23/23/13/214232313.db2.gz LUFFBJXAZFGLJR-UHFFFAOYSA-N -1 3 305.378 2.875 20 0 DFADHM Cc1c(Br)cccc1NC([O-])=NOCC(C)(C)O ZINC000278669416 214314487 /nfs/dbraw/zinc/31/44/87/214314487.db2.gz QWLGEEMONXVJQQ-UHFFFAOYSA-N -1 3 317.183 2.582 20 0 DFADHM Cc1c(Br)cccc1NC(=O)[N-]OCC(C)(C)O ZINC000278669416 214314490 /nfs/dbraw/zinc/31/44/90/214314490.db2.gz QWLGEEMONXVJQQ-UHFFFAOYSA-N -1 3 317.183 2.582 20 0 DFADHM Cn1ncc(C(=O)Nc2cc(Cl)ccc2[O-])c1-n1cccc1 ZINC000081945143 192345250 /nfs/dbraw/zinc/34/52/50/192345250.db2.gz XEWDCMVCFMHZRC-UHFFFAOYSA-N -1 3 316.748 2.822 20 0 DFADHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000331302019 529408984 /nfs/dbraw/zinc/40/89/84/529408984.db2.gz WXJZHZKMGYLEJD-RNCFNFMXSA-N -1 3 323.817 2.555 20 0 DFADHM [O-]c1ccc(Br)c(CN2CCC[C@]23CCOC3)c1 ZINC000310941154 231116644 /nfs/dbraw/zinc/11/66/44/231116644.db2.gz JRYYKSDUCPWTOC-CQSZACIVSA-N -1 3 312.207 2.910 20 0 DFADHM Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[O-] ZINC000318106305 231167665 /nfs/dbraw/zinc/16/76/65/231167665.db2.gz NGVAVPCPSIHMPW-UXLLHSPISA-N -1 3 303.402 2.856 20 0 DFADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299458071 529415853 /nfs/dbraw/zinc/41/58/53/529415853.db2.gz WYPZHSNUTCSXIS-VXGBXAGGSA-N -1 3 300.358 2.580 20 0 DFADHM COc1c(Cl)cccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000065863623 398347760 /nfs/dbraw/zinc/34/77/60/398347760.db2.gz AAYXCEXTJYGOAH-UHFFFAOYSA-N -1 3 302.721 2.872 20 0 DFADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cn2cccnc2n1 ZINC000081458328 398351237 /nfs/dbraw/zinc/35/12/37/398351237.db2.gz ZNSKPUMDCBYYGS-UHFFFAOYSA-N -1 3 322.246 2.706 20 0 DFADHM CN(C)Cc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000066044022 398355187 /nfs/dbraw/zinc/35/51/87/398355187.db2.gz JHBXQAJJIQOOOU-UHFFFAOYSA-N -1 3 306.312 2.984 20 0 DFADHM CCc1cc(C(=O)N([C@H](C)C(=O)OC)C2CCC2)ccc1[O-] ZINC000292830666 529511591 /nfs/dbraw/zinc/51/15/91/529511591.db2.gz JLRFLZCVNAHKTI-LLVKDONJSA-N -1 3 305.374 2.511 20 0 DFADHM CCc1cc(C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc1[O-] ZINC000294781427 529515510 /nfs/dbraw/zinc/51/55/10/529515510.db2.gz KCKSYFFXIVLHPU-FUHWJXTLSA-N -1 3 301.386 2.738 20 0 DFADHM CCc1cc(C(=O)NCC2(CO)CC3(CCC3)C2)ccc1[O-] ZINC000292824732 529516824 /nfs/dbraw/zinc/51/68/24/529516824.db2.gz JDEKUNACJMNYHB-UHFFFAOYSA-N -1 3 303.402 2.627 20 0 DFADHM CCc1cc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)ccc1[O-] ZINC000292381505 529517316 /nfs/dbraw/zinc/51/73/16/529517316.db2.gz ZSFKOACIOVSQFL-GOSISDBHSA-N -1 3 317.360 2.731 20 0 DFADHM CCc1cc(C(=O)Nc2ccc(OC3COC3)cc2)ccc1[O-] ZINC000292894117 529521018 /nfs/dbraw/zinc/52/10/18/529521018.db2.gz MTAGSLCQSXGFTI-UHFFFAOYSA-N -1 3 313.353 2.985 20 0 DFADHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ccnc(F)c1 ZINC000081731312 398367878 /nfs/dbraw/zinc/36/78/78/398367878.db2.gz AMIUKQNMZYXSJC-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ccnc(F)c1 ZINC000081731312 398367883 /nfs/dbraw/zinc/36/78/83/398367883.db2.gz AMIUKQNMZYXSJC-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccnc(F)c1 ZINC000081731312 398367888 /nfs/dbraw/zinc/36/78/88/398367888.db2.gz AMIUKQNMZYXSJC-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM CCc1cnc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000459345213 299083913 /nfs/dbraw/zinc/08/39/13/299083913.db2.gz AQDWFZUCSWIGOV-UHFFFAOYSA-N -1 3 304.419 2.711 20 0 DFADHM CCc1cccc(C(=O)NCc2c(C)nn(CC)c2C)c1[O-] ZINC000081777976 398369721 /nfs/dbraw/zinc/36/97/21/398369721.db2.gz ALOJNPBVBAWZBE-UHFFFAOYSA-N -1 3 301.390 2.718 20 0 DFADHM CC(C)C[C@H](C(=O)Nc1ccccc1[O-])N1CCCCC1=O ZINC000088281117 185244726 /nfs/dbraw/zinc/24/47/26/185244726.db2.gz DBFACZMYGFKMBX-CQSZACIVSA-N -1 3 304.390 2.758 20 0 DFADHM CCc1cccc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)c1[O-] ZINC000081792421 398370542 /nfs/dbraw/zinc/37/05/42/398370542.db2.gz YMWXJWSXWUEXLX-UHFFFAOYSA-N -1 3 315.373 2.824 20 0 DFADHM CCc1cccc(C(=O)N2CCC(OCC3CC3)CC2)c1[O-] ZINC000081793881 398370578 /nfs/dbraw/zinc/37/05/78/398370578.db2.gz JLODMKWABWBXCH-UHFFFAOYSA-N -1 3 303.402 2.986 20 0 DFADHM CO[C@]1(C)C[C@H](N(C)Cc2cc(=O)[n-]c(C3CC3)n2)C1(C)C ZINC000459345876 299084201 /nfs/dbraw/zinc/08/42/01/299084201.db2.gz AWEYUTPSCSDKBM-SUMWQHHRSA-N -1 3 305.422 2.695 20 0 DFADHM CC[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000459345575 299084347 /nfs/dbraw/zinc/08/43/47/299084347.db2.gz NRXGUPCOFDCPKB-CZUORRHYSA-N -1 3 313.401 2.849 20 0 DFADHM Cc1c([O-])ccc2c(CN(C)CCOCC3CC3)cc(=O)oc12 ZINC000088599412 185259173 /nfs/dbraw/zinc/25/91/73/185259173.db2.gz SXHWWASHSKVDSZ-UHFFFAOYSA-N -1 3 317.385 2.665 20 0 DFADHM O=S(=O)([N-]CCc1cccc(F)c1)c1cc(F)cc(F)c1 ZINC000010516825 398378412 /nfs/dbraw/zinc/37/84/12/398378412.db2.gz NRQBHIMKVXZMIO-UHFFFAOYSA-N -1 3 315.316 2.625 20 0 DFADHM COC(=O)c1cc(COc2ccc3c([O-])coc3c2)c(C)o1 ZINC000596311496 398383643 /nfs/dbraw/zinc/38/36/43/398383643.db2.gz MAFSTWFLGOHGDP-UHFFFAOYSA-N -1 3 302.282 2.529 20 0 DFADHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccs1 ZINC000013049258 398387655 /nfs/dbraw/zinc/38/76/55/398387655.db2.gz DOLIXDXACCQZQZ-JTQLQIEISA-N -1 3 324.427 2.611 20 0 DFADHM Cc1ccc(NC(=O)c2cncc(-c3cnn(C)c3)c2)c([O-])c1 ZINC000066618824 398388955 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299094481 /nfs/dbraw/zinc/09/44/81/299094481.db2.gz KVRUXWUGWAFCJM-GOSISDBHSA-N -1 3 313.401 2.850 20 0 DFADHM CCc1ccc([O-])c(C(=O)Nc2c[nH]nc2-c2ccccn2)c1 ZINC000092760899 185338640 /nfs/dbraw/zinc/33/86/40/185338640.db2.gz AVYOXSQUYBHJEI-UHFFFAOYSA-N -1 3 308.341 2.992 20 0 DFADHM CCc1ccc([C@@H]2CCN(C(=O)c3cc(C)nc(=O)[n-]3)C2)cc1 ZINC000294671591 529715527 /nfs/dbraw/zinc/71/55/27/529715527.db2.gz SFHGNNRDBLUNOG-OAHLLOKOSA-N -1 3 311.385 2.683 20 0 DFADHM CC(C)[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)C(=O)OC(C)(C)C ZINC000459399486 299096884 /nfs/dbraw/zinc/09/68/84/299096884.db2.gz MBUJPMWRQMGIOK-CQSZACIVSA-N -1 3 321.421 2.516 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)s1 ZINC000329552928 529759221 /nfs/dbraw/zinc/75/92/21/529759221.db2.gz AWSOLBRRHZBXML-SNVBAGLBSA-N -1 3 300.449 2.707 20 0 DFADHM CCc1noc([N-]Cc2cn3ccc(Br)cc3n2)n1 ZINC000292830129 529770374 /nfs/dbraw/zinc/77/03/74/529770374.db2.gz UKOQLXIDOMVEGV-UHFFFAOYSA-N -1 3 322.166 2.654 20 0 DFADHM CCc1cc(=O)[n-]c(CN[C@H](c2nc(C)cs2)C2CC2)n1 ZINC000181601087 199324920 /nfs/dbraw/zinc/32/49/20/199324920.db2.gz VGFSYQLVHHJGHN-AWEZNQCLSA-N -1 3 304.419 2.750 20 0 DFADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000084675043 398406296 /nfs/dbraw/zinc/40/62/96/398406296.db2.gz WNKWVMZEAWNEQX-CHWSQXEVSA-N -1 3 319.373 2.509 20 0 DFADHM COc1cccc([C@@H](C)N2CCN(CCCCC(=O)[O-])CC2)c1 ZINC000181585510 199322082 /nfs/dbraw/zinc/32/20/82/199322082.db2.gz PWBFTSLOCSDIPE-OAHLLOKOSA-N -1 3 320.433 2.629 20 0 DFADHM C[C@]1(C(=O)[O-])CCCN(Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000584844691 398420995 /nfs/dbraw/zinc/42/09/95/398420995.db2.gz IPQMZRRAZFAYRY-AWEZNQCLSA-N -1 3 313.300 2.695 20 0 DFADHM CC(C)(C)c1nc(C(=O)[N-]c2nc3ccc(F)cn3n2)cs1 ZINC000085742717 398417754 /nfs/dbraw/zinc/41/77/54/398417754.db2.gz NNJBHFAVXVGNGA-UHFFFAOYSA-N -1 3 319.365 2.875 20 0 DFADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@H](O)[C@H](C)C3)c2c1 ZINC000584843278 398421132 /nfs/dbraw/zinc/42/11/32/398421132.db2.gz NVTJEWJNPWVOJJ-DOMZBBRYSA-N -1 3 314.385 2.757 20 0 DFADHM Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1ccc([O-])cc1F ZINC000124504920 282307936 /nfs/dbraw/zinc/30/79/36/282307936.db2.gz OUIQDOCSCILAOX-UHFFFAOYSA-N -1 3 314.320 2.752 20 0 DFADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1cccs1 ZINC000024887551 398435425 /nfs/dbraw/zinc/43/54/25/398435425.db2.gz FUTXIUWYVFQPJD-UHFFFAOYSA-N -1 3 324.427 2.691 20 0 DFADHM Cc1nc(C)c(CN2Cc3ccccc3C[C@H]2C(=O)[O-])s1 ZINC000088868551 398442394 /nfs/dbraw/zinc/44/23/94/398442394.db2.gz SAMGNAXPOBRWHF-AWEZNQCLSA-N -1 3 302.399 2.771 20 0 DFADHM O=c1cc(CN[C@@H]2CCO[C@H]2c2ccccc2)nc(C2CC2)[n-]1 ZINC000459432113 299105537 /nfs/dbraw/zinc/10/55/37/299105537.db2.gz ZHQCRZQEFKLKHU-WBVHZDCISA-N -1 3 311.385 2.679 20 0 DFADHM COc1cc(-c2noc(-c3cnn(CC(C)C)c3)n2)ccc1[O-] ZINC000272763744 210168350 /nfs/dbraw/zinc/16/83/50/210168350.db2.gz PTCIAFCYEBJNNQ-UHFFFAOYSA-N -1 3 314.345 2.970 20 0 DFADHM [O-]c1cccc(CN[C@H]2CCc3c[nH]nc3C2)c1Br ZINC000459437440 299107007 /nfs/dbraw/zinc/10/70/07/299107007.db2.gz KQXKVDLGWUSSSI-NSHDSACASA-N -1 3 322.206 2.525 20 0 DFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(-n2cccc2)c1 ZINC000026253903 398451720 /nfs/dbraw/zinc/45/17/20/398451720.db2.gz ANEIYMNHWPJNOS-UHFFFAOYSA-N -1 3 321.262 2.867 20 0 DFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(-n2cccc2)c1 ZINC000026253903 398451723 /nfs/dbraw/zinc/45/17/23/398451723.db2.gz ANEIYMNHWPJNOS-UHFFFAOYSA-N -1 3 321.262 2.867 20 0 DFADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@@H]1CCCO1 ZINC000328832498 530022951 /nfs/dbraw/zinc/02/29/51/530022951.db2.gz LIVJKJWTFMWZRC-NSHDSACASA-N -1 3 313.357 2.692 20 0 DFADHM CC[C@H](C)[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)OC ZINC000279431160 398457249 /nfs/dbraw/zinc/45/72/49/398457249.db2.gz DOMUFLIDQKYYSA-ZBEGNZNMSA-N -1 3 315.369 2.863 20 0 DFADHM C[C@@H]1C[C@@H](CCNC(=O)Cc2ccc([O-])cc2Cl)CCO1 ZINC000330789797 232070942 /nfs/dbraw/zinc/07/09/42/232070942.db2.gz AHSZVGBKCNMYTO-NEPJUHHUSA-N -1 3 311.809 2.910 20 0 DFADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)n1 ZINC000067951295 398468694 /nfs/dbraw/zinc/46/86/94/398468694.db2.gz MXYJZHKKRYKFPZ-MRVPVSSYSA-N -1 3 318.370 2.769 20 0 DFADHM Cc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)c([O-])c1C ZINC000048380527 282383338 /nfs/dbraw/zinc/38/33/38/282383338.db2.gz MWCIONJXBFPQCF-CQSZACIVSA-N -1 3 302.374 2.635 20 0 DFADHM COc1ccc(C(=O)NCc2nc(C)c3ccccc3n2)c([O-])c1 ZINC000588061671 398479513 /nfs/dbraw/zinc/47/95/13/398479513.db2.gz WJMDGFWEWJZURM-UHFFFAOYSA-N -1 3 323.352 2.582 20 0 DFADHM O=c1cc(CN2CCC3(CCC(O)CC3)CC2)nc(C2CC2)[n-]1 ZINC000459489426 299119466 /nfs/dbraw/zinc/11/94/66/299119466.db2.gz QGNOBRCSNBFRMI-UHFFFAOYSA-N -1 3 317.433 2.577 20 0 DFADHM Clc1nc2ccccn2c1C[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000181800154 199353431 /nfs/dbraw/zinc/35/34/31/199353431.db2.gz PURNWCSRFNUBQW-JTQLQIEISA-N -1 3 319.752 2.834 20 0 DFADHM CCCSCC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588096222 398482268 /nfs/dbraw/zinc/48/22/68/398482268.db2.gz VBIQMUWCTZYRRJ-UHFFFAOYSA-N -1 3 317.794 2.914 20 0 DFADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccncc2F)c1[O-] ZINC000588095554 398482304 /nfs/dbraw/zinc/48/23/04/398482304.db2.gz WKJVXNADBHMJOK-UHFFFAOYSA-N -1 3 324.695 2.619 20 0 DFADHM COC(=O)c1cc([C@@H](C)[S@@](=O)c2cccc([O-])c2)oc1C ZINC000292371027 398483524 /nfs/dbraw/zinc/48/35/24/398483524.db2.gz SHKWNUSQUGEJMN-LADRHHBVSA-N -1 3 308.355 2.949 20 0 DFADHM [O-]c1cccc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)c1Br ZINC000459501341 299122172 /nfs/dbraw/zinc/12/21/72/299122172.db2.gz DATBKYLHVYJWPA-WZRBSPASSA-N -1 3 312.207 2.812 20 0 DFADHM CCCC[C@H](CC)CNC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000361220401 535006620 /nfs/dbraw/zinc/00/66/20/535006620.db2.gz LTGNYQHOYJEHIZ-VIFPVBQESA-N -1 3 321.347 2.839 20 0 DFADHM CCCC[C@H](CC)CNC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000361220401 535006625 /nfs/dbraw/zinc/00/66/25/535006625.db2.gz LTGNYQHOYJEHIZ-VIFPVBQESA-N -1 3 321.347 2.839 20 0 DFADHM CCCC[C@H](CC)CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361220401 535006628 /nfs/dbraw/zinc/00/66/28/535006628.db2.gz LTGNYQHOYJEHIZ-VIFPVBQESA-N -1 3 321.347 2.839 20 0 DFADHM CC(=O)c1cccc(NC(=O)C(C)(C)C(=O)OC(C)(C)C)c1[O-] ZINC000592798908 398486818 /nfs/dbraw/zinc/48/68/18/398486818.db2.gz CFDSHHDVSYLBBS-UHFFFAOYSA-N -1 3 321.373 2.901 20 0 DFADHM [O-]c1cccc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)c1Br ZINC000459501339 299122571 /nfs/dbraw/zinc/12/25/71/299122571.db2.gz DATBKYLHVYJWPA-LOWVWBTDSA-N -1 3 312.207 2.812 20 0 DFADHM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000029998103 398495015 /nfs/dbraw/zinc/49/50/15/398495015.db2.gz DKNMQBLEOCNARZ-WFASDCNBSA-N -1 3 324.446 2.709 20 0 DFADHM CCCn1c(=O)[n-]nc1S[C@H](C)c1nc(C(C)(C)C)no1 ZINC000030021538 398495802 /nfs/dbraw/zinc/49/58/02/398495802.db2.gz ITZVCGPAPGCKPO-MRVPVSSYSA-N -1 3 311.411 2.928 20 0 DFADHM [O-]c1cccc(CN[C@H](CO)CC2CCC2)c1Br ZINC000459524363 299125277 /nfs/dbraw/zinc/12/52/77/299125277.db2.gz JZZWOVJPGWRFKZ-LBPRGKRZSA-N -1 3 314.223 2.795 20 0 DFADHM COCC[C@H](NC(=O)c1cccc(OC)c1[O-])c1ccco1 ZINC000272705552 210109452 /nfs/dbraw/zinc/10/94/52/210109452.db2.gz QMDOBJXRCJDIFH-LBPRGKRZSA-N -1 3 305.330 2.501 20 0 DFADHM Cc1cc(C(=O)N2CCO[C@@H](c3ccsc3)C2)ccc1[O-] ZINC000272696638 210101220 /nfs/dbraw/zinc/10/12/20/210101220.db2.gz VIFPKZILZLZCOE-OAHLLOKOSA-N -1 3 303.383 2.976 20 0 DFADHM CCN(Cc1cnn(C)c1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000068444022 398504876 /nfs/dbraw/zinc/50/48/76/398504876.db2.gz HUCOUCRTBIUMNK-UHFFFAOYSA-N -1 3 301.390 2.911 20 0 DFADHM C[C@H](c1ccccn1)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000068465546 398505533 /nfs/dbraw/zinc/50/55/33/398505533.db2.gz LFWCGDCTDWXTGS-GFCCVEGCSA-N -1 3 307.353 2.756 20 0 DFADHM CCN(CCSC)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000592950925 398511445 /nfs/dbraw/zinc/51/14/45/398511445.db2.gz BQDASTIWZZCXBC-UHFFFAOYSA-N -1 3 318.442 2.970 20 0 DFADHM CC[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(C)cc1 ZINC000031203254 398512171 /nfs/dbraw/zinc/51/21/71/398512171.db2.gz HXWDHCSCBFGTFX-MRXNPFEDSA-N -1 3 313.401 2.505 20 0 DFADHM C[C@@H](C(=O)OC(C)(C)C)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000413915184 295749069 /nfs/dbraw/zinc/74/90/69/295749069.db2.gz NHSDXSYWQOYGDX-NSHDSACASA-N -1 3 305.374 2.727 20 0 DFADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000068633190 398516540 /nfs/dbraw/zinc/51/65/40/398516540.db2.gz YZOVMYWNUVSNGP-LLVKDONJSA-N -1 3 323.352 2.761 20 0 DFADHM O=C([O-])C[C@@H]1CSCCN1Cc1cnc2ccccc2c1 ZINC000313455086 398516874 /nfs/dbraw/zinc/51/68/74/398516874.db2.gz SOPMOGIAEGNSIF-CQSZACIVSA-N -1 3 302.399 2.627 20 0 DFADHM O=C([O-])[C@]1(C(F)(F)F)CCN(CCOc2ccc(F)cc2)C1 ZINC000315062286 398523405 /nfs/dbraw/zinc/52/34/05/398523405.db2.gz VEYQCUHOCTYPSL-ZDUSSCGKSA-N -1 3 321.270 2.544 20 0 DFADHM O=C(c1cccc([O-])c1)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000413997337 295756166 /nfs/dbraw/zinc/75/61/66/295756166.db2.gz VFDMRNWHLFJFOL-IBGZPJMESA-N -1 3 323.348 2.642 20 0 DFADHM CN(Cc1cccc([O-])c1Br)C1CCOCC1 ZINC000315297356 398524581 /nfs/dbraw/zinc/52/45/81/398524581.db2.gz 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304.371 2.846 20 0 DFADHM O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(-c2nnn[n-]2)c1 ZINC000072575234 398622871 /nfs/dbraw/zinc/62/28/71/398622871.db2.gz LELZBOUMWCWGCE-UHFFFAOYSA-N -1 3 319.368 2.537 20 0 DFADHM O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(-c2nn[n-]n2)c1 ZINC000072575234 398622875 /nfs/dbraw/zinc/62/28/75/398622875.db2.gz LELZBOUMWCWGCE-UHFFFAOYSA-N -1 3 319.368 2.537 20 0 DFADHM COC(=O)c1sc([N-]C(=O)c2cc(C(C)C)no2)nc1C ZINC000072647457 398627894 /nfs/dbraw/zinc/62/78/94/398627894.db2.gz BQKXSSBQKITBMX-UHFFFAOYSA-N -1 3 309.347 2.602 20 0 DFADHM Cc1ccc(OCCC(=O)[N-]OCc2cccnc2)c(C)c1 ZINC000152407854 186069456 /nfs/dbraw/zinc/06/94/56/186069456.db2.gz LAAPDHCGYRYIIH-UHFFFAOYSA-N -1 3 300.358 2.715 20 0 DFADHM CC(C)(C)[C@@H](O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280019140 215316537 /nfs/dbraw/zinc/31/65/37/215316537.db2.gz UBKDCUZGSUMVNV-NSHDSACASA-N -1 3 305.296 2.548 20 0 DFADHM COc1ccc([C@H](C)CC(=O)[N-]OCc2cccnc2)cc1 ZINC000152560835 186085124 /nfs/dbraw/zinc/08/51/24/186085124.db2.gz 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ZINC000072993488 398653909 /nfs/dbraw/zinc/65/39/09/398653909.db2.gz OOPSTKIBXLCHCL-MRVPVSSYSA-N -1 3 316.329 2.609 20 0 DFADHM CC[C@@](C)(CCO)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000272426500 209827080 /nfs/dbraw/zinc/82/70/80/209827080.db2.gz GEWBZUZFCHOSOR-ZDUSSCGKSA-N -1 3 307.287 2.724 20 0 DFADHM CCC[C@H](C)S(=O)(=O)[N-][C@@H](CCC)C(=O)OC(C)(C)C ZINC000593577280 398657957 /nfs/dbraw/zinc/65/79/57/398657957.db2.gz FYDYFBHVRWUWHK-RYUDHWBXSA-N -1 3 307.456 2.605 20 0 DFADHM Cc1cccc(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000171885134 198000704 /nfs/dbraw/zinc/00/07/04/198000704.db2.gz VTENPSUTLUFMOY-GFCCVEGCSA-N -1 3 322.405 2.686 20 0 DFADHM C[C@@H](CN(C)Cc1ccccc1)Nc1ncc(C(=O)[O-])s1 ZINC000380969125 398660304 /nfs/dbraw/zinc/66/03/04/398660304.db2.gz ABSWSVBEUVHXND-NSHDSACASA-N -1 3 305.403 2.774 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)[n-]1 ZINC000597563964 398662070 /nfs/dbraw/zinc/66/20/70/398662070.db2.gz URDRVUGICVZZHL-QWHCGFSZSA-N -1 3 313.357 2.637 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)c[n-]1 ZINC000597563964 398662073 /nfs/dbraw/zinc/66/20/73/398662073.db2.gz URDRVUGICVZZHL-QWHCGFSZSA-N -1 3 313.357 2.637 20 0 DFADHM COc1ccc(C(=O)N[C@H](C)CNc2ccccc2)c([O-])c1 ZINC000119831394 282774872 /nfs/dbraw/zinc/77/48/72/282774872.db2.gz YSBJAEVDFYMDRK-GFCCVEGCSA-N -1 3 300.358 2.631 20 0 DFADHM CC(C)(C)/C=C/C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000172271503 198069183 /nfs/dbraw/zinc/06/91/83/198069183.db2.gz UAPDJHATURXCTB-BQYQJAHWSA-N -1 3 314.382 2.738 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@H](CC)CC(F)(F)F)[n-]1 ZINC000590746108 398663768 /nfs/dbraw/zinc/66/37/68/398663768.db2.gz ATKQNQDDVZFQJH-SSDOTTSWSA-N -1 3 307.272 2.504 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@H](CC)CC(F)(F)F)c[n-]1 ZINC000590746108 398663771 /nfs/dbraw/zinc/66/37/71/398663771.db2.gz ATKQNQDDVZFQJH-SSDOTTSWSA-N -1 3 307.272 2.504 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)CCc2ccco2)c([O-])c1 ZINC000172394666 198090386 /nfs/dbraw/zinc/09/03/86/198090386.db2.gz 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CCO[C@H]1C[C@H](NC(=O)NCc2ncccc2[O-])C1(CC)CC ZINC000471990075 299319455 /nfs/dbraw/zinc/31/94/55/299319455.db2.gz WHZZXJZXUYCFLQ-GJZGRUSLSA-N -1 3 321.421 2.570 20 0 DFADHM COc1cccc(OC)c1CNC[C@H](CC(=O)[O-])CC(C)C ZINC000417534599 296029113 /nfs/dbraw/zinc/02/91/13/296029113.db2.gz AAZHGZBJHFBVDM-ZDUSSCGKSA-N -1 3 309.406 2.930 20 0 DFADHM CCCn1nc(C)c(CNCc2ccccc2CC(=O)[O-])c1C ZINC000417545663 296030163 /nfs/dbraw/zinc/03/01/63/296030163.db2.gz KDVBXORWGKPVOJ-UHFFFAOYSA-N -1 3 315.417 2.827 20 0 DFADHM CC(C)[C@@H]1C[C@@](NCc2cnn(C)c2)(C(=O)[O-])c2ccccc21 ZINC000417562218 296031153 /nfs/dbraw/zinc/03/11/53/296031153.db2.gz BVYYVRWBEAWGGH-YJBOKZPZSA-N -1 3 313.401 2.633 20 0 DFADHM Cc1cc(C(=O)NC[C@@]2(CO)C[C@@H]2c2ccccc2)ccc1[O-] ZINC000292730173 223222100 /nfs/dbraw/zinc/22/21/00/223222100.db2.gz POUMCXPLFPQYER-VQIMIIECSA-N -1 3 311.381 2.597 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2nnc(-c3ccco3)s2)c1 ZINC000078568036 398967271 /nfs/dbraw/zinc/96/72/71/398967271.db2.gz 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CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCO1 ZINC000420717226 296198618 /nfs/dbraw/zinc/19/86/18/296198618.db2.gz CXVRIMWBCUNOAH-WDEREUQCSA-N -1 3 321.801 2.715 20 0 DFADHM CCc1cc(=O)[n-]c(CSCc2nc(CC3CC3)no2)n1 ZINC000601052428 399211921 /nfs/dbraw/zinc/21/19/21/399211921.db2.gz XBNHDNNHDZRFLT-UHFFFAOYSA-N -1 3 306.391 2.514 20 0 DFADHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2F)CCO1 ZINC000420726056 296199032 /nfs/dbraw/zinc/19/90/32/296199032.db2.gz MSMSWNCIVGUUJJ-MNOVXSKESA-N -1 3 319.373 2.509 20 0 DFADHM CCc1cc(C(=O)NCCCCn2ccnc2C)ccc1[O-] ZINC000342704413 284391681 /nfs/dbraw/zinc/39/16/81/284391681.db2.gz XRJIPIRASRASQU-UHFFFAOYSA-N -1 3 301.390 2.670 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000622175868 399214535 /nfs/dbraw/zinc/21/45/35/399214535.db2.gz YPGAMQSALNYPES-IUODEOHRSA-N -1 3 305.374 2.519 20 0 DFADHM C[C@@]12COC[C@@H]1CN(C(=O)c1cc([O-])ccc1C(F)(F)F)C2 ZINC000618703495 399214731 /nfs/dbraw/zinc/21/47/31/399214731.db2.gz 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3 318.417 2.599 20 0 DFADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCOC1 ZINC000354489380 147056206 /nfs/dbraw/zinc/05/62/06/147056206.db2.gz HWWXJSJQFJXJJK-LBPRGKRZSA-N -1 3 324.229 2.698 20 0 DFADHM N=c1nc(N2CCC[C@@H]2CCC2CCCC2)nc2[nH][n-]cc1-2 ZINC000354558190 147077779 /nfs/dbraw/zinc/07/77/79/147077779.db2.gz AMGXJRTWAUYJKG-GFCCVEGCSA-N -1 3 300.410 2.656 20 0 DFADHM COC(=O)c1cc(C(=O)Nc2c(C)cc(OC)c(C)c2C)c[n-]1 ZINC000354566719 147081489 /nfs/dbraw/zinc/08/14/89/147081489.db2.gz MJRYFUSQRMLARD-UHFFFAOYSA-N -1 3 316.357 2.987 20 0 DFADHM CCCc1coc([N-]C(=O)c2coc(C3CCOCC3)n2)n1 ZINC000514871448 543422416 /nfs/dbraw/zinc/42/24/16/543422416.db2.gz VVIZKXDVDDCRPT-UHFFFAOYSA-N -1 3 305.334 2.761 20 0 DFADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000354716077 147126308 /nfs/dbraw/zinc/12/63/08/147126308.db2.gz UIEGNZCAGAPONF-SSDOTTSWSA-N -1 3 317.279 2.974 20 0 DFADHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000354730227 147130564 /nfs/dbraw/zinc/13/05/64/147130564.db2.gz PONQLIUGEBBTHS-MRVPVSSYSA-N -1 3 324.215 2.911 20 0 DFADHM Cc1cc(C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)ccc1[O-] ZINC000354737197 147133645 /nfs/dbraw/zinc/13/36/45/147133645.db2.gz IXOGMVYUXQGYKO-UHFFFAOYSA-N -1 3 312.369 2.963 20 0 DFADHM Cc1ccc([O-])c(CN2Cc3cnn(-c4ccccc4)c3C2)n1 ZINC000354758043 147140504 /nfs/dbraw/zinc/14/05/04/147140504.db2.gz BZUKTINPVMWGFU-UHFFFAOYSA-N -1 3 306.369 2.797 20 0 DFADHM Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1ccccc1[O-] ZINC000354830684 147167947 /nfs/dbraw/zinc/16/79/47/147167947.db2.gz GAKLHIWWKZEHRI-UHFFFAOYSA-N -1 3 317.295 2.967 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000294158839 292162469 /nfs/dbraw/zinc/16/24/69/292162469.db2.gz MCSNIAUHPIBZON-INIZCTEOSA-N -1 3 301.386 2.732 20 0 DFADHM Cc1ccccc1OCCC[N-]S(=O)(=O)c1ccccc1F ZINC000355393103 147298189 /nfs/dbraw/zinc/29/81/89/147298189.db2.gz XTLCNJNURVKWCY-UHFFFAOYSA-N -1 3 323.389 2.882 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2CN(C)Cc3ccccc32)c([O-])c1C ZINC000535324235 543438391 /nfs/dbraw/zinc/43/83/91/543438391.db2.gz CDYCTATWTOTPEX-KRWDZBQOSA-N -1 3 310.397 2.926 20 0 DFADHM COc1cccc(CCC(=O)Nc2nc(C)ccc2[O-])c1F ZINC000355502427 147339456 /nfs/dbraw/zinc/33/94/56/147339456.db2.gz NZMSUCBCAOMFPI-UHFFFAOYSA-N -1 3 304.321 2.815 20 0 DFADHM CCCOc1ccc(/C=C\C(=O)[N-]O[C@@H](CO)C(C)C)cc1 ZINC000493029052 299701423 /nfs/dbraw/zinc/70/14/23/299701423.db2.gz UVQIXYJIRPZGCZ-BJIFSAINSA-N -1 3 307.390 2.553 20 0 DFADHM Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1C ZINC000355564358 147365786 /nfs/dbraw/zinc/36/57/86/147365786.db2.gz FXLFTNKAVNJDPI-LBPRGKRZSA-N -1 3 322.364 2.678 20 0 DFADHM Cc1ccc2sc(C(=O)NCc3cnc(C)[n-]c3=O)cc2c1 ZINC000355578007 147371208 /nfs/dbraw/zinc/37/12/08/147371208.db2.gz PZSIMGMGTCGDJY-UHFFFAOYSA-N -1 3 313.382 2.944 20 0 DFADHM CCOC(=O)C[C@H](C)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000355593202 147375917 /nfs/dbraw/zinc/37/59/17/147375917.db2.gz UZGRNYHKOFNOJP-LBPRGKRZSA-N -1 3 315.369 2.959 20 0 DFADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000355606916 147381624 /nfs/dbraw/zinc/38/16/24/147381624.db2.gz LOIVQNZYLJTUNP-UKRRQHHQSA-N -1 3 305.374 2.969 20 0 DFADHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000355622412 147387363 /nfs/dbraw/zinc/38/73/63/147387363.db2.gz TYEWTWFFZLVRHF-LBPRGKRZSA-N -1 3 313.467 2.713 20 0 DFADHM CC(C)c1cccc(OCC(=O)[N-]c2nncn2C2CC2)c1 ZINC000356184332 147595352 /nfs/dbraw/zinc/59/53/52/147595352.db2.gz ISUHCYHRFBABQA-UHFFFAOYSA-N -1 3 300.362 2.754 20 0 DFADHM CCCCS(=O)(=O)[N-]Cc1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000356229573 147612333 /nfs/dbraw/zinc/61/23/33/147612333.db2.gz YURQLBJHJSRVBX-NEPJUHHUSA-N -1 3 315.439 2.583 20 0 DFADHM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1csc(=O)[n-]1 ZINC000349988735 285986084 /nfs/dbraw/zinc/98/60/84/285986084.db2.gz CZAPHNWSZUZKFZ-MUWHJKNJSA-N -1 3 312.753 2.927 20 0 DFADHM C[C@@H](F)CCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000356675076 147769333 /nfs/dbraw/zinc/76/93/33/147769333.db2.gz ROJSHYJPDPONMO-MRVPVSSYSA-N -1 3 304.159 2.562 20 0 DFADHM COc1cc(C(=O)NCc2cc(-c3ccccc3)no2)ccc1[O-] ZINC000357591227 148050405 /nfs/dbraw/zinc/05/04/05/148050405.db2.gz FZDGDQZWBRXQFA-UHFFFAOYSA-N -1 3 324.336 2.986 20 0 DFADHM COc1cc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)ccc1[O-] ZINC000357616423 148059825 /nfs/dbraw/zinc/05/98/25/148059825.db2.gz SJPOSAFLYIMQIO-XJKSGUPXSA-N -1 3 321.417 2.972 20 0 DFADHM COc1cc(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)ccc1[O-] ZINC000357616419 148059830 /nfs/dbraw/zinc/05/98/30/148059830.db2.gz SJPOSAFLYIMQIO-CZUORRHYSA-N -1 3 321.417 2.972 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](CC)OC)nc2)n1 ZINC000357823329 148137226 /nfs/dbraw/zinc/13/72/26/148137226.db2.gz FTPZMQVEKHRAPO-ZDUSSCGKSA-N -1 3 302.378 2.644 20 0 DFADHM Cc1ccncc1CN(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000357858880 148151812 /nfs/dbraw/zinc/15/18/12/148151812.db2.gz VNVTYBZKMFTSBQ-UHFFFAOYSA-N -1 3 307.353 2.504 20 0 DFADHM Cc1cc([N-]S(=O)(=O)c2cncc(Cl)c2)cc2[nH]ncc21 ZINC000350299999 286026030 /nfs/dbraw/zinc/02/60/30/286026030.db2.gz IRLNHMLZOFVYCB-UHFFFAOYSA-N -1 3 322.777 2.721 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)NCc1ccc(F)c(F)c1 ZINC000350361785 286031668 /nfs/dbraw/zinc/03/16/68/286031668.db2.gz WEDBDVISYPGVLC-UHFFFAOYSA-N -1 3 310.275 2.809 20 0 DFADHM O=C(Nc1ccncc1[O-])[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000358354857 148340779 /nfs/dbraw/zinc/34/07/79/148340779.db2.gz OFJQXTZUYPHDGL-DTWKUNHWSA-N -1 3 306.724 2.744 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)o1 ZINC000358429777 148358066 /nfs/dbraw/zinc/35/80/66/148358066.db2.gz QZYUFRNIIVAFLJ-GDBMZVCRSA-N -1 3 321.398 2.787 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)COc2c(C)cccc2C)o1 ZINC000358429143 148358378 /nfs/dbraw/zinc/35/83/78/148358378.db2.gz QLWJRVBIQDOLKF-ZDUSSCGKSA-N -1 3 323.414 2.951 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)o1 ZINC000358433499 148359538 /nfs/dbraw/zinc/35/95/38/148359538.db2.gz ZEPRRSXHISAHBD-UHFFFAOYSA-N -1 3 316.382 2.657 20 0 DFADHM CC(C)(C)CC[C@H](CO)NC(=O)Cc1ccc([O-])cc1Cl ZINC000358435946 148361284 /nfs/dbraw/zinc/36/12/84/148361284.db2.gz ZMSBJLSPRKIHJU-GFCCVEGCSA-N -1 3 313.825 2.892 20 0 DFADHM Cc1nc(NC(=O)c2nc[n-]n2)sc1Cc1ccc(C)cc1 ZINC000358449751 148363013 /nfs/dbraw/zinc/36/30/13/148363013.db2.gz GJWPXYQLTXNIBE-UHFFFAOYSA-N -1 3 313.386 2.721 20 0 DFADHM COc1cc(Oc2ccccc2)ccc1NC(=O)c1nc[n-]n1 ZINC000358466747 148368622 /nfs/dbraw/zinc/36/86/22/148368622.db2.gz ISDCNYIQZDKJIG-UHFFFAOYSA-N -1 3 310.313 2.858 20 0 DFADHM Cc1noc(C)c1Cc1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000350483473 286048585 /nfs/dbraw/zinc/04/85/85/286048585.db2.gz XAIHRETVXCYYEU-UHFFFAOYSA-N -1 3 311.301 2.915 20 0 DFADHM Cc1noc(C)c1Cc1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000350483473 286048586 /nfs/dbraw/zinc/04/85/86/286048586.db2.gz XAIHRETVXCYYEU-UHFFFAOYSA-N -1 3 311.301 2.915 20 0 DFADHM O=C(c1c[n-]nc1-c1ccncc1)N1CCc2ccc(F)cc21 ZINC000350513087 286053883 /nfs/dbraw/zinc/05/38/83/286053883.db2.gz BHVKKZJTSKLKRC-UHFFFAOYSA-N -1 3 308.316 2.814 20 0 DFADHM O=C(c1cn[n-]c1-c1ccncc1)N1CCc2ccc(F)cc21 ZINC000350513087 286053886 /nfs/dbraw/zinc/05/38/86/286053886.db2.gz BHVKKZJTSKLKRC-UHFFFAOYSA-N -1 3 308.316 2.814 20 0 DFADHM CN1C(=O)C[C@@H](c2nc(-c3ccc([O-])cc3)no2)c2ccccc21 ZINC000350577321 286060819 /nfs/dbraw/zinc/06/08/19/286060819.db2.gz VDMLKCQGJNRVQN-CQSZACIVSA-N -1 3 321.336 2.941 20 0 DFADHM COc1ccccc1NC(=O)[C@H](C)[S@@](=O)c1cccc([O-])c1 ZINC000350551305 286056932 /nfs/dbraw/zinc/05/69/32/286056932.db2.gz DXOICVCQXJESQZ-KPWVOAKYSA-N -1 3 319.382 2.536 20 0 DFADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)c1ccc(C)o1 ZINC000350617573 286062624 /nfs/dbraw/zinc/06/26/24/286062624.db2.gz GEACXUIUKBHYOD-LBPRGKRZSA-N -1 3 313.375 2.546 20 0 DFADHM CSc1cccc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC000660448275 543527394 /nfs/dbraw/zinc/52/73/94/543527394.db2.gz DYYNABMBIZEISO-UHFFFAOYSA-N -1 3 304.419 2.612 20 0 DFADHM Cc1nc(C)c(CC(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)c(=O)[n-]1 ZINC000361274715 149073023 /nfs/dbraw/zinc/07/30/23/149073023.db2.gz SOJAIBGVEMOKPK-WDMOLILDSA-N -1 3 305.422 2.530 20 0 DFADHM CC[C@H]1CCC[C@@H](NC(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000361458754 149121114 /nfs/dbraw/zinc/12/11/14/149121114.db2.gz SLQZPMGXKXRKND-DTWKUNHWSA-N -1 3 319.331 2.592 20 0 DFADHM CC[C@H]1CCC[C@@H](NC(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000361458754 149121116 /nfs/dbraw/zinc/12/11/16/149121116.db2.gz SLQZPMGXKXRKND-DTWKUNHWSA-N -1 3 319.331 2.592 20 0 DFADHM CC[C@H]1CCC[C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000361458754 149121118 /nfs/dbraw/zinc/12/11/18/149121118.db2.gz SLQZPMGXKXRKND-DTWKUNHWSA-N -1 3 319.331 2.592 20 0 DFADHM COc1ccc(C)nc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000361604649 149165404 /nfs/dbraw/zinc/16/54/04/149165404.db2.gz UXJYBMYEVJTMKA-UHFFFAOYSA-N -1 3 323.352 2.801 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000493106675 299716362 /nfs/dbraw/zinc/71/63/62/299716362.db2.gz NWGMITNJCJQNGT-GXFZAYBSSA-N -1 3 300.280 2.601 20 0 DFADHM [O-]c1cc(F)cc(CN2CCO[C@H](COc3ccccc3)C2)c1 ZINC000361663719 149185161 /nfs/dbraw/zinc/18/51/61/149185161.db2.gz VZDFPPBOILGNER-SFHVURJKSA-N -1 3 317.360 2.811 20 0 DFADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000361704479 149197264 /nfs/dbraw/zinc/19/72/64/149197264.db2.gz CZWYKZSUQJCWMQ-RKDXNWHRSA-N -1 3 319.331 2.544 20 0 DFADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000361704479 149197265 /nfs/dbraw/zinc/19/72/65/149197265.db2.gz CZWYKZSUQJCWMQ-RKDXNWHRSA-N -1 3 319.331 2.544 20 0 DFADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361704479 149197266 /nfs/dbraw/zinc/19/72/66/149197266.db2.gz CZWYKZSUQJCWMQ-RKDXNWHRSA-N -1 3 319.331 2.544 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1CCC(F)(F)C1 ZINC000361834638 149233149 /nfs/dbraw/zinc/23/31/49/149233149.db2.gz VXDQKNXDEBDZOL-MRVPVSSYSA-N -1 3 316.304 2.788 20 0 DFADHM COc1ccc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)nc1 ZINC000362041641 149282768 /nfs/dbraw/zinc/28/27/68/149282768.db2.gz 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/nfs/dbraw/zinc/54/85/28/149548528.db2.gz LHFRXOOSINRBNR-MRXNPFEDSA-N -1 3 310.353 2.624 20 0 DFADHM CC(C)n1cc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)cn1 ZINC000351227805 286116863 /nfs/dbraw/zinc/11/68/63/286116863.db2.gz VISUKUWXJNGQNM-UHFFFAOYSA-N -1 3 321.393 2.710 20 0 DFADHM Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1csc(=O)[n-]1 ZINC000369128743 149742687 /nfs/dbraw/zinc/74/26/87/149742687.db2.gz XQQJIAHVKPRFIW-SECBINFHSA-N -1 3 323.443 2.806 20 0 DFADHM O=C(/C=C\[C@@H]1CCOC1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000493147270 299724052 /nfs/dbraw/zinc/72/40/52/299724052.db2.gz GOBUPAYPJKJFMS-RZXPJHQTSA-N -1 3 317.263 2.822 20 0 DFADHM CN(C(=O)c1ccc2n[n-]nc2c1)C1CC(c2ccccc2)C1 ZINC000371214507 150005187 /nfs/dbraw/zinc/00/51/87/150005187.db2.gz YASGVCFGZSKUDH-UHFFFAOYSA-N -1 3 306.369 2.976 20 0 DFADHM CN(C)C1(C(=O)Nc2cccc([O-])c2F)Cc2ccccc2C1 ZINC000371260947 150012528 /nfs/dbraw/zinc/01/25/28/150012528.db2.gz SIYPUZOSEYUGSR-UHFFFAOYSA-N -1 3 314.360 2.569 20 0 DFADHM Cc1cc(C(=O)[N-]c2ncn(-c3ccccn3)n2)c(F)cc1F ZINC000371503730 150057545 /nfs/dbraw/zinc/05/75/45/150057545.db2.gz ATPMYCBSLKYNRI-UHFFFAOYSA-N -1 3 315.283 2.501 20 0 DFADHM Cc1nc([C@H]2CCCCCN2C(=O)c2cccc([O-])c2)no1 ZINC000371676704 150078763 /nfs/dbraw/zinc/07/87/63/150078763.db2.gz OPNIHHFUKTWFTL-CQSZACIVSA-N -1 3 301.346 2.841 20 0 DFADHM O=C(NCCc1cccc(F)c1)c1c[n-]nc1-c1ccccn1 ZINC000351573148 286157528 /nfs/dbraw/zinc/15/75/28/286157528.db2.gz HTBBUIWUGANSEF-UHFFFAOYSA-N -1 3 310.332 2.583 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CCCc2c[nH]nc21 ZINC000372033352 150126848 /nfs/dbraw/zinc/12/68/48/150126848.db2.gz YMODCUCKMKMAIM-ZDUSSCGKSA-N -1 3 305.765 2.505 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCN1C(=O)C1CCCC1 ZINC000372269598 150155928 /nfs/dbraw/zinc/15/59/28/150155928.db2.gz CTEZCIYTPDDHRH-CQSZACIVSA-N -1 3 320.364 2.651 20 0 DFADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCN(c2ccccn2)C1 ZINC000372371584 150169028 /nfs/dbraw/zinc/16/90/28/150169028.db2.gz XFBHTGRCSCPKMN-LBPRGKRZSA-N -1 3 315.348 2.781 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1COc2ccc(Cl)cc21 ZINC000372829873 150189728 /nfs/dbraw/zinc/18/97/28/150189728.db2.gz GVCUIWKLMHXABB-GFCCVEGCSA-N -1 3 321.735 2.977 20 0 DFADHM CO[C@@]1(C)CCCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000373002323 150214773 /nfs/dbraw/zinc/21/47/73/150214773.db2.gz SBZVPOKYXJONAY-INIZCTEOSA-N -1 3 310.369 2.632 20 0 DFADHM O=C(c1csc(=O)[n-]1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000373228361 150250406 /nfs/dbraw/zinc/25/04/06/150250406.db2.gz JEGQCTZELRNAAL-UHFFFAOYSA-N -1 3 316.382 2.584 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCOC[C@@H]2c2ccccc2)c1 ZINC000374131415 150308795 /nfs/dbraw/zinc/30/87/95/150308795.db2.gz QLYGHPBBEVNWTQ-MRXNPFEDSA-N -1 3 313.353 2.615 20 0 DFADHM COc1ccc([O-])c(C(=O)N2C[C@@H](OC)Cc3ccccc32)c1 ZINC000374296562 150339350 /nfs/dbraw/zinc/33/93/50/150339350.db2.gz OJRHWXOSELSDHY-AWEZNQCLSA-N -1 3 313.353 2.619 20 0 DFADHM CC1=C(c2ccco2)CN(CCC[N-]C(=O)C(F)(F)F)CC1 ZINC000374536754 150375587 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Cc1ccc(-c2nnc(NC(=O)c3cccc4nccnc43)[n-]2)o1 ZINC000351778507 286216508 /nfs/dbraw/zinc/21/65/08/286216508.db2.gz UCOAICQEFRUPIX-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc4nccnc43)n2)o1 ZINC000351778507 286216509 /nfs/dbraw/zinc/21/65/09/286216509.db2.gz UCOAICQEFRUPIX-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM Cc1ccc(-c2nc(NC(=O)c3cccc4nccnc43)n[n-]2)o1 ZINC000351778507 286216511 /nfs/dbraw/zinc/21/65/11/286216511.db2.gz UCOAICQEFRUPIX-UHFFFAOYSA-N -1 3 320.312 2.569 20 0 DFADHM COC[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000408408350 150891235 /nfs/dbraw/zinc/89/12/35/150891235.db2.gz ONMMRDWHGUWCJW-GFCCVEGCSA-N -1 3 319.401 2.604 20 0 DFADHM O=C1C[C@H]([C@H]2CCCCN2Cc2cccc([O-])c2Cl)CN1 ZINC000351835052 286228968 /nfs/dbraw/zinc/22/89/68/286228968.db2.gz WGCYRQDIKPXUME-QWHCGFSZSA-N -1 3 308.809 2.536 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(F)cc1F ZINC000351921711 286245187 /nfs/dbraw/zinc/24/51/87/286245187.db2.gz 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ZINC000352122723 286297817 /nfs/dbraw/zinc/29/78/17/286297817.db2.gz HTUCOYKXIWFQRC-UHFFFAOYSA-N -1 3 301.364 2.619 20 0 DFADHM C[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496379654 300054958 /nfs/dbraw/zinc/05/49/58/300054958.db2.gz XGSMUTOKQNDHHM-ZJUUUORDSA-N -1 3 324.343 2.701 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1csc2ccccc21)c1ccon1 ZINC000352164615 286309763 /nfs/dbraw/zinc/30/97/63/286309763.db2.gz ULYXOFZVKQQCPQ-VIFPVBQESA-N -1 3 308.384 2.929 20 0 DFADHM C[C@@H]([N-]S(=O)(=O)c1csc2ccccc21)c1ccon1 ZINC000352164614 286309811 /nfs/dbraw/zinc/30/98/11/286309811.db2.gz ULYXOFZVKQQCPQ-SECBINFHSA-N -1 3 308.384 2.929 20 0 DFADHM O=C(NCc1ccc(F)cc1F)c1c[n-]nc1-c1ccccn1 ZINC000352201878 286317769 /nfs/dbraw/zinc/31/77/69/286317769.db2.gz VOTZJTKCHGAIHB-UHFFFAOYSA-N -1 3 314.295 2.680 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](OCC3CC3)C2)c1 ZINC000428116384 296680852 /nfs/dbraw/zinc/68/08/52/296680852.db2.gz QMILBRYXVFLQGR-OAHLLOKOSA-N -1 3 303.402 2.986 20 0 DFADHM Cc1cc(F)cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1 ZINC000352330815 286345369 /nfs/dbraw/zinc/34/53/69/286345369.db2.gz OCHGWXZDNCCGTM-UHFFFAOYSA-N -1 3 311.300 2.755 20 0 DFADHM C[C@H](CC(=O)OC(C)(C)C)NCc1c(F)ccc([O-])c1F ZINC000352393951 286362345 /nfs/dbraw/zinc/36/23/45/286362345.db2.gz FOVAZJKZWHFBDS-SECBINFHSA-N -1 3 301.333 2.880 20 0 DFADHM Cc1cccc2nc(CNCc3c(F)ccc([O-])c3F)cn21 ZINC000352393823 286362424 /nfs/dbraw/zinc/36/24/24/286362424.db2.gz CQOGXDWQDNXYEI-UHFFFAOYSA-N -1 3 303.312 2.916 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)n1 ZINC000352433829 286372674 /nfs/dbraw/zinc/37/26/74/286372674.db2.gz YIKVMADFFFTVSN-GZBFAFLISA-N -1 3 303.406 2.585 20 0 DFADHM C[C@@]1(O)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000352461039 286380130 /nfs/dbraw/zinc/38/01/30/286380130.db2.gz MCXXKQYBJDSMEK-QGZVFWFLSA-N -1 3 309.381 2.618 20 0 DFADHM O=C(NCc1ncccc1[O-])c1ccc2ccc(Cl)cc2n1 ZINC000352501060 286389926 /nfs/dbraw/zinc/38/99/26/286389926.db2.gz MCYPYQUPBLPGJR-UHFFFAOYSA-N 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ZINC000116979049 426203956 /nfs/dbraw/zinc/20/39/56/426203956.db2.gz CEBZQNZHQJNEAL-UHFFFAOYSA-N -1 3 324.789 2.784 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1[O-] ZINC000116979519 426204023 /nfs/dbraw/zinc/20/40/23/426204023.db2.gz WDKHOCPRNZNMIF-SECBINFHSA-N -1 3 312.797 2.843 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H](C(C)C)CC2)c(=O)[n-]1 ZINC000114664682 426140548 /nfs/dbraw/zinc/14/05/48/426140548.db2.gz QAEONBQOEDCCKI-HNNXBMFYSA-N -1 3 319.449 2.604 20 0 DFADHM CCCOc1nc(C(=O)[N-]c2nc(C)no2)cc2ccccc21 ZINC000114680679 426142080 /nfs/dbraw/zinc/14/20/80/426142080.db2.gz NUCSJKXNHJIFJH-UHFFFAOYSA-N -1 3 312.329 2.967 20 0 DFADHM COc1cc(OC)c([N-]S(=O)(=O)CCC2CC2)cc1Cl ZINC000129953742 426142779 /nfs/dbraw/zinc/14/27/79/426142779.db2.gz MPAPTNUBMLMEHC-UHFFFAOYSA-N -1 3 319.810 2.899 20 0 DFADHM Cc1ccc(NC(=O)C[C@@H](C)NC(=O)C2CCCC2)c([O-])c1 ZINC000170721923 426146573 /nfs/dbraw/zinc/14/65/73/426146573.db2.gz LACXDHSDBGLBGA-GFCCVEGCSA-N -1 3 304.390 2.724 20 0 DFADHM Cc1nc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3o2)cn1C ZINC000170731403 426146894 /nfs/dbraw/zinc/14/68/94/426146894.db2.gz MSHOXRYKDGYYFY-SNVBAGLBSA-N -1 3 319.386 2.514 20 0 DFADHM COC(=O)C[C@H](C)SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000115189813 426156590 /nfs/dbraw/zinc/15/65/90/426156590.db2.gz WFNHMEPPZDMUCQ-VIFPVBQESA-N -1 3 322.382 2.992 20 0 DFADHM COc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1[O-] ZINC000078388070 426168497 /nfs/dbraw/zinc/16/84/97/426168497.db2.gz NNFDXXHWSYSGLK-JTQLQIEISA-N -1 3 311.341 2.768 20 0 DFADHM O=S(=O)([N-][C@H]1CCCN(c2ccccc2)C1)c1cccs1 ZINC000115582733 426168985 /nfs/dbraw/zinc/16/89/85/426168985.db2.gz GNUJSMSLGPDZQC-ZDUSSCGKSA-N -1 3 322.455 2.695 20 0 DFADHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115726869 426171739 /nfs/dbraw/zinc/17/17/39/426171739.db2.gz OESBNGMJCYQHKO-MRXNPFEDSA-N -1 3 324.380 2.660 20 0 DFADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000133407703 426176023 /nfs/dbraw/zinc/17/60/23/426176023.db2.gz 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ZINC000084936089 426246961 /nfs/dbraw/zinc/24/69/61/426246961.db2.gz MSJGGVJTQFODSC-UHFFFAOYSA-N -1 3 322.430 2.586 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)c2ccc(F)cc2O1 ZINC000174013869 426251169 /nfs/dbraw/zinc/25/11/69/426251169.db2.gz VJXRKECGXPZXOY-SECBINFHSA-N -1 3 312.304 2.525 20 0 DFADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[N-]C(=O)C(F)(F)F ZINC000174382283 426254798 /nfs/dbraw/zinc/25/47/98/426254798.db2.gz HHVCBJFQJCBBKF-UWVGGRQHSA-N -1 3 324.343 2.748 20 0 DFADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)CC(C)(C)C)C(=O)OC(C)(C)C ZINC000148224294 426259401 /nfs/dbraw/zinc/25/94/01/426259401.db2.gz ULULERBQULFRPX-RYUDHWBXSA-N -1 3 321.483 2.708 20 0 DFADHM Cc1cccc(O[C@H](C)CNC(=O)c2ccc(O)cc2[O-])c1 ZINC000174676279 426263133 /nfs/dbraw/zinc/26/31/33/426263133.db2.gz GIQCJEDWKZEDAO-GFCCVEGCSA-N -1 3 301.342 2.604 20 0 DFADHM Cn1nc(C2CCCC2)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000119148134 426266552 /nfs/dbraw/zinc/26/65/52/426266552.db2.gz KIXBDVLDFIFZSP-UHFFFAOYSA-N -1 3 310.361 2.601 20 0 DFADHM Cn1nc(C2CCCC2)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000119148134 426266555 /nfs/dbraw/zinc/26/65/55/426266555.db2.gz KIXBDVLDFIFZSP-UHFFFAOYSA-N -1 3 310.361 2.601 20 0 DFADHM Cn1nc(C2CCCC2)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000119148134 426266557 /nfs/dbraw/zinc/26/65/57/426266557.db2.gz KIXBDVLDFIFZSP-UHFFFAOYSA-N -1 3 310.361 2.601 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000150922987 426267095 /nfs/dbraw/zinc/26/70/95/426267095.db2.gz ORIIOHJYEJZPGA-CQSZACIVSA-N -1 3 313.401 2.529 20 0 DFADHM CS[C@H]1CCC[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000117318205 426211304 /nfs/dbraw/zinc/21/13/04/426211304.db2.gz BZQLGVYMEBYFGC-RYUDHWBXSA-N -1 3 316.426 2.932 20 0 DFADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000117374587 426213539 /nfs/dbraw/zinc/21/35/39/426213539.db2.gz SSVXRLZVYIBTCJ-VHSXEESVSA-N -1 3 321.414 2.917 20 0 DFADHM COc1ccc(/C=C/C(=O)Nc2ccc([O-])cc2F)cc1O ZINC000119506698 426293936 /nfs/dbraw/zinc/29/39/36/426293936.db2.gz 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/nfs/dbraw/zinc/30/09/10/426300910.db2.gz JSUGMIIBFQGFBE-QWRGUYRKSA-N -1 3 310.191 2.817 20 0 DFADHM CC(C)OCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151536746 426301242 /nfs/dbraw/zinc/30/12/42/426301242.db2.gz GNANGLXRAGJRIO-UHFFFAOYSA-N -1 3 316.195 2.586 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2[O-])C12CCCC2 ZINC000175399474 426301944 /nfs/dbraw/zinc/30/19/44/426301944.db2.gz JWKQWXYTADUCTO-CABCVRRESA-N -1 3 305.374 2.565 20 0 DFADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])C12CCCC2 ZINC000175399428 426302285 /nfs/dbraw/zinc/30/22/85/426302285.db2.gz JWKQWXYTADUCTO-LSDHHAIUSA-N -1 3 305.374 2.565 20 0 DFADHM CC(=O)Nc1nc(C(=O)[N-]c2ccc(F)c(F)c2F)cs1 ZINC000151615302 426304044 /nfs/dbraw/zinc/30/40/44/426304044.db2.gz YIINHQUIZYLKPB-UHFFFAOYSA-N -1 3 315.276 2.771 20 0 DFADHM CCC(CC)(CO)C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000339456260 268818364 /nfs/dbraw/zinc/81/83/64/268818364.db2.gz WSOXPYKMGRUJGM-UHFFFAOYSA-N -1 3 323.817 2.556 20 0 DFADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000175472278 426306678 /nfs/dbraw/zinc/30/66/78/426306678.db2.gz BIPJAKZGBSJUFC-GFCCVEGCSA-N -1 3 305.374 2.504 20 0 DFADHM O=S(=O)([N-]C1(c2cccc(F)c2)CC1)c1ccccc1F ZINC000151659981 426306970 /nfs/dbraw/zinc/30/69/70/426306970.db2.gz VQLJMTLDIWGHCL-UHFFFAOYSA-N -1 3 309.337 2.932 20 0 DFADHM CCOC[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000151678548 426308009 /nfs/dbraw/zinc/30/80/09/426308009.db2.gz XRJAUBHGSSKJCR-GFCCVEGCSA-N -1 3 311.809 2.863 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cccc(-n3ccnn3)c2)c1[O-] ZINC000120328998 426309319 /nfs/dbraw/zinc/30/93/19/426309319.db2.gz MFKLSMGLZHJFFJ-UHFFFAOYSA-N -1 3 324.340 2.542 20 0 DFADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1scnc1C1CC1 ZINC000089831603 426312621 /nfs/dbraw/zinc/31/26/21/426312621.db2.gz OYRATXZVIXBNCT-UHFFFAOYSA-N -1 3 319.777 2.969 20 0 DFADHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000175548242 426313124 /nfs/dbraw/zinc/31/31/24/426313124.db2.gz 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/nfs/dbraw/zinc/31/46/47/426314647.db2.gz GPLIXXHXVCBJCU-LBPRGKRZSA-N -1 3 313.405 2.945 20 0 DFADHM Cc1cccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c1[O-] ZINC000121002587 426319109 /nfs/dbraw/zinc/31/91/09/426319109.db2.gz ADTWEEVALPJFPJ-KRWDZBQOSA-N -1 3 310.397 2.830 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccccc2Cl)s1 ZINC000175722057 426322262 /nfs/dbraw/zinc/32/22/62/426322262.db2.gz GSEXTIKZYIBVDK-UHFFFAOYSA-N -1 3 316.835 2.892 20 0 DFADHM Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(F)c1 ZINC000090371087 426326088 /nfs/dbraw/zinc/32/60/88/426326088.db2.gz RQHHYXZGBTYAIK-UHFFFAOYSA-N -1 3 301.243 2.848 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119285478 426275409 /nfs/dbraw/zinc/27/54/09/426275409.db2.gz GZWQJODXFWUYOL-UONOGXRCSA-N -1 3 321.384 2.861 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119285478 426275412 /nfs/dbraw/zinc/27/54/12/426275412.db2.gz GZWQJODXFWUYOL-UONOGXRCSA-N -1 3 321.384 2.861 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cc3ccccc3n2C)n[n-]1 ZINC000119316780 426278228 /nfs/dbraw/zinc/27/82/28/426278228.db2.gz IAUSHVROTZFXOR-UHFFFAOYSA-N -1 3 320.356 2.554 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)c2cc3ccccc3n2C)[n-]n1 ZINC000119316780 426278231 /nfs/dbraw/zinc/27/82/31/426278231.db2.gz IAUSHVROTZFXOR-UHFFFAOYSA-N -1 3 320.356 2.554 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c([O-])c1 ZINC000151103618 426278293 /nfs/dbraw/zinc/27/82/93/426278293.db2.gz IFQTXISNBGIFET-CYBMUJFWSA-N -1 3 314.341 2.537 20 0 DFADHM Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153652213 426398012 /nfs/dbraw/zinc/39/80/12/426398012.db2.gz RBMXALHXQHQJDP-UHFFFAOYSA-N -1 3 307.781 2.967 20 0 DFADHM CCC(CC)CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000121408937 426340994 /nfs/dbraw/zinc/34/09/94/426340994.db2.gz WVLLMOHKTIDTFM-QGZVFWFLSA-N -1 3 317.389 2.506 20 0 DFADHM O=C([N-]OCc1cccnc1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000152394269 426342040 /nfs/dbraw/zinc/34/20/40/426342040.db2.gz 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426357937 /nfs/dbraw/zinc/35/79/37/426357937.db2.gz BVNCKVGPXMNNDS-UHFFFAOYSA-N -1 3 314.345 2.503 20 0 DFADHM O=C(Nc1ccccc1)C1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000176319434 426370252 /nfs/dbraw/zinc/37/02/52/426370252.db2.gz JLGMAXZPZOHCKU-UHFFFAOYSA-N -1 3 324.380 2.883 20 0 DFADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1sccc1OC ZINC000122480401 426376808 /nfs/dbraw/zinc/37/68/08/426376808.db2.gz CZWOZWMPAYDXBZ-SECBINFHSA-N -1 3 309.478 2.567 20 0 DFADHM COc1cc(C(=O)Nc2cnn(CC(C)C)c2)cc(OC)c1[O-] ZINC000122520871 426379722 /nfs/dbraw/zinc/37/97/22/426379722.db2.gz VVUGNEHHXSQRDG-UHFFFAOYSA-N -1 3 319.361 2.514 20 0 DFADHM COc1ncccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176431901 426381218 /nfs/dbraw/zinc/38/12/18/426381218.db2.gz DORIMUPTPYJLRV-UHFFFAOYSA-N -1 3 323.146 2.811 20 0 DFADHM CC(C)OCCS(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000176466458 426385632 /nfs/dbraw/zinc/38/56/32/426385632.db2.gz XEFTZCGBZVZEFF-UHFFFAOYSA-N -1 3 315.435 2.778 20 0 DFADHM CCc1nnc(-c2cccc([N-]C(=O)c3cc(OC)no3)c2)o1 ZINC000153444311 426386165 /nfs/dbraw/zinc/38/61/65/426386165.db2.gz NDGIWUKQXWEZHD-UHFFFAOYSA-N -1 3 314.301 2.548 20 0 DFADHM CSCC[C@H](C)N(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122657555 426386357 /nfs/dbraw/zinc/38/63/57/426386357.db2.gz PMSUEZPZOBPVIA-JTQLQIEISA-N -1 3 310.419 2.564 20 0 DFADHM CN(C)[C@H](CNC(=O)c1ccc(F)cc1[O-])c1ccccc1 ZINC000123185718 426419145 /nfs/dbraw/zinc/41/91/45/426419145.db2.gz QQQZYJSQYGRJKT-OAHLLOKOSA-N -1 3 302.349 2.564 20 0 DFADHM COc1ccc([O-])c(C(=O)NC(C)(C)c2ncc(C)s2)c1 ZINC000176872072 426420560 /nfs/dbraw/zinc/42/05/60/426420560.db2.gz LKDNLSUGRKGOIK-UHFFFAOYSA-N -1 3 306.387 2.831 20 0 DFADHM CN(C)Cc1ccc(CNC(=O)c2ccc(F)cc2[O-])cc1 ZINC000123230968 426421263 /nfs/dbraw/zinc/42/12/63/426421263.db2.gz RIOOISFBIYIRMV-UHFFFAOYSA-N -1 3 302.349 2.523 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1COc2ccc(F)cc2C1 ZINC000154183575 426429153 /nfs/dbraw/zinc/42/91/53/426429153.db2.gz BYQYBGSRWWHIDG-LBPRGKRZSA-N -1 3 319.307 2.538 20 0 DFADHM CC[C@@](C)(NC(=O)c1cccc(OC)c1[O-])c1nccs1 ZINC000154211833 426430285 /nfs/dbraw/zinc/43/02/85/426430285.db2.gz SYGMBNPIJJQFES-OAHLLOKOSA-N -1 3 306.387 2.913 20 0 DFADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc(F)cc(F)c1 ZINC000154277807 426433552 /nfs/dbraw/zinc/43/35/52/426433552.db2.gz KFIJVUWUMFZMIN-ARFHVFGLSA-N -1 3 321.348 2.581 20 0 DFADHM COc1cccc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1[O-] ZINC000154296723 426435048 /nfs/dbraw/zinc/43/50/48/426435048.db2.gz PQIMEFRFVXSJIK-HNNXBMFYSA-N -1 3 317.341 2.516 20 0 DFADHM CCn1nc(CNc2ccc3c(c2)C(=O)[N-]C3=O)c2ccccc21 ZINC000340708269 269002299 /nfs/dbraw/zinc/00/22/99/269002299.db2.gz JIJOWJVMLIIQIS-UHFFFAOYSA-N -1 3 320.352 2.552 20 0 DFADHM COCC1([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCC1 ZINC000341082107 269041149 /nfs/dbraw/zinc/04/11/49/269041149.db2.gz ULTJKJZIWPRSSN-UHFFFAOYSA-N -1 3 324.229 2.841 20 0 DFADHM COCc1nocc1C(=O)[N-]c1nc(-c2ccc[nH]2)cs1 ZINC000341281964 269059630 /nfs/dbraw/zinc/05/96/30/269059630.db2.gz 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/nfs/dbraw/zinc/47/49/35/426474935.db2.gz QITNZVJDMXWMTH-UHFFFAOYSA-N -1 3 315.148 2.954 20 0 DFADHM COCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000101577912 426484984 /nfs/dbraw/zinc/48/49/84/426484984.db2.gz YDTBIRGWFJJKEM-QMMMGPOBSA-N -1 3 312.218 2.697 20 0 DFADHM Cc1ccc(OCCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000101578454 426485096 /nfs/dbraw/zinc/48/50/96/426485096.db2.gz CINULGDXGCEZMY-UHFFFAOYSA-N -1 3 311.428 2.804 20 0 DFADHM CCCCCCC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000101679074 426485792 /nfs/dbraw/zinc/48/57/92/426485792.db2.gz LUBXISJAVBPRFC-UHFFFAOYSA-N -1 3 318.417 2.647 20 0 DFADHM COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1O ZINC000195241970 426509903 /nfs/dbraw/zinc/50/99/03/426509903.db2.gz UVZVILWCGOEOQQ-UHFFFAOYSA-N -1 3 313.313 2.945 20 0 DFADHM COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1O ZINC000195241970 426509907 /nfs/dbraw/zinc/50/99/07/426509907.db2.gz UVZVILWCGOEOQQ-UHFFFAOYSA-N -1 3 313.313 2.945 20 0 DFADHM Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)ccc1[O-] 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DFADHM CCc1cc2c(CN[C@H](CO)C(C)(C)C)cc(=O)oc2cc1[O-] ZINC000193115570 427669029 /nfs/dbraw/zinc/66/90/29/427669029.db2.gz LEXBKOTXHQCOAX-MRXNPFEDSA-N -1 3 319.401 2.558 20 0 DFADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@H]1C ZINC000342793392 272055142 /nfs/dbraw/zinc/05/51/42/272055142.db2.gz IUUQKILQICAXJM-NXEZZACHSA-N -1 3 304.777 2.910 20 0 DFADHM COc1cccc(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c1[O-] ZINC000272202244 427669927 /nfs/dbraw/zinc/66/99/27/427669927.db2.gz JFAQTGFFWXTVNH-OLZOCXBDSA-N -1 3 307.390 2.724 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000193115756 427670318 /nfs/dbraw/zinc/67/03/18/427670318.db2.gz JEGFKFBJCCKUQH-GFCCVEGCSA-N -1 3 313.419 2.785 20 0 DFADHM Oc1[n-]c(N[C@H]2CCCc3c(F)cc(F)cc32)nc2nncc1-2 ZINC000295019743 427670409 /nfs/dbraw/zinc/67/04/09/427670409.db2.gz URGHTNMYVWLQIO-LBPRGKRZSA-N -1 3 317.299 2.826 20 0 DFADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000185552454 427671898 /nfs/dbraw/zinc/67/18/98/427671898.db2.gz 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CC[C@H](Cc1ccc(Cl)cc1)N=c1ncnc2[nH][n-]cc1-2 ZINC000341482483 428083024 /nfs/dbraw/zinc/08/30/24/428083024.db2.gz IWQMQFVCWVHVNO-GFCCVEGCSA-N -1 3 301.781 2.813 20 0 DFADHM CN(Cc1ccc(F)cc1F)C(=O)c1ccc2n[n-]nc2c1 ZINC000351657766 428103628 /nfs/dbraw/zinc/10/36/28/428103628.db2.gz KJHCKYSGTCAKQR-UHFFFAOYSA-N -1 3 302.284 2.508 20 0 DFADHM COC[C@@H]1C[C@@H](OC)CN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356284146 428106405 /nfs/dbraw/zinc/10/64/05/428106405.db2.gz SOWWTRGPMWPRLE-GXTWGEPZSA-N -1 3 319.323 2.647 20 0 DFADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCC2(C)C)c(F)c1 ZINC000360003749 428112407 /nfs/dbraw/zinc/11/24/07/428112407.db2.gz AIWUPOCUZXLJJH-ZDUSSCGKSA-N -1 3 301.383 2.691 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C(C)(C)CCC(C)=O)c([O-])c1 ZINC000356298108 428113739 /nfs/dbraw/zinc/11/37/39/428113739.db2.gz RVOJITRSZHBLEO-UHFFFAOYSA-N -1 3 321.373 2.903 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](Oc3ccc(F)cc3)C2)n1 ZINC000370034196 428117031 /nfs/dbraw/zinc/11/70/31/428117031.db2.gz 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318.348 2.594 20 0 DFADHM Cc1ccc(F)c(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000342370468 428420381 /nfs/dbraw/zinc/42/03/81/428420381.db2.gz DAYPAXKZRJKMCE-UHFFFAOYSA-N -1 3 317.246 2.593 20 0 DFADHM Cc1ccc(F)c(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000342370468 428420386 /nfs/dbraw/zinc/42/03/86/428420386.db2.gz DAYPAXKZRJKMCE-UHFFFAOYSA-N -1 3 317.246 2.593 20 0 DFADHM Cc1ccc(F)c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000342370468 428420392 /nfs/dbraw/zinc/42/03/92/428420392.db2.gz DAYPAXKZRJKMCE-UHFFFAOYSA-N -1 3 317.246 2.593 20 0 DFADHM COC(=O)COc1ccc(NC(=O)c2cccc([O-])c2)c(C)c1 ZINC000357185779 428424152 /nfs/dbraw/zinc/42/41/52/428424152.db2.gz JPIJQBSBUVHSBP-UHFFFAOYSA-N -1 3 315.325 2.505 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)NCc1cn2ccsc2n1 ZINC000357188644 428424741 /nfs/dbraw/zinc/42/47/41/428424741.db2.gz MWKJFZZCHFJSPA-UHFFFAOYSA-N -1 3 321.789 2.614 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CC(Cc2ccc(F)cc2F)C1 ZINC000378568386 428428077 /nfs/dbraw/zinc/42/80/77/428428077.db2.gz 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/nfs/dbraw/zinc/49/89/42/428498942.db2.gz AHWOJWUKZIRUEM-KCJUWKMLSA-N -1 3 305.300 2.563 20 0 DFADHM COc1cc(SC)ccc1NC(=O)NCc1ncccc1[O-] ZINC000347219274 428499085 /nfs/dbraw/zinc/49/90/85/428499085.db2.gz ACYJRWYUNYXHCJ-UHFFFAOYSA-N -1 3 319.386 2.839 20 0 DFADHM O=C(Nc1cc(Br)c[nH]c1=O)c1cccc([O-])c1 ZINC000357365778 428502499 /nfs/dbraw/zinc/50/24/99/428502499.db2.gz ONZJGVNUHKSMPM-UHFFFAOYSA-N -1 3 309.119 2.508 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000357392023 428511956 /nfs/dbraw/zinc/51/19/56/428511956.db2.gz RELASUASADUZTL-WMLDXEAASA-N -1 3 318.376 2.889 20 0 DFADHM C[C@@H]1CC[C@H](CNCc2cccc([O-])c2Br)O1 ZINC000398077780 428517649 /nfs/dbraw/zinc/51/76/49/428517649.db2.gz JDAWOECZXHYBKN-MWLCHTKSSA-N -1 3 300.196 2.812 20 0 DFADHM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCOC1 ZINC000357417100 428522892 /nfs/dbraw/zinc/52/28/92/428522892.db2.gz OEOSYPVEOIPSTI-GFCCVEGCSA-N -1 3 324.229 2.841 20 0 DFADHM C[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCOC1 ZINC000357413115 428523225 /nfs/dbraw/zinc/52/32/25/428523225.db2.gz NBLIAXSWDOQLMH-LBPRGKRZSA-N -1 3 324.229 2.841 20 0 DFADHM C[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCOC1 ZINC000357417695 428526364 /nfs/dbraw/zinc/52/63/64/428526364.db2.gz PHSVDECCHKEWRT-GFCCVEGCSA-N -1 3 324.229 2.841 20 0 DFADHM CN(CCNC(=O)c1c(F)ccc([O-])c1F)Cc1ccccc1 ZINC000343160627 428530067 /nfs/dbraw/zinc/53/00/67/428530067.db2.gz MCKRMYLVRWXLMA-UHFFFAOYSA-N -1 3 320.339 2.532 20 0 DFADHM CN1CCN(Cc2cc([O-])cc(F)c2)C[C@H]1Cc1ccccc1 ZINC000342846906 428471577 /nfs/dbraw/zinc/47/15/77/428471577.db2.gz HHKWPZGUKKHARM-GOSISDBHSA-N -1 3 314.404 2.890 20 0 DFADHM CCC1CCC(NC(=O)c2cccc([O-])c2)(C(=O)OC)CC1 ZINC000357307862 428474990 /nfs/dbraw/zinc/47/49/90/428474990.db2.gz LMZQDZJVEDGEQF-UHFFFAOYSA-N -1 3 305.374 2.634 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)NC1CC(C(F)(F)F)C1 ZINC000353534571 428580255 /nfs/dbraw/zinc/58/02/55/428580255.db2.gz HYRHXIVWZXNAHS-UHFFFAOYSA-N -1 3 306.259 2.671 20 0 DFADHM 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/nfs/dbraw/zinc/60/55/07/428605507.db2.gz QACMJPKSYJUICC-UHFFFAOYSA-N -1 3 300.746 2.880 20 0 DFADHM COC(=O)[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)[C@H]1C(C)C ZINC000353597897 428613664 /nfs/dbraw/zinc/61/36/64/428613664.db2.gz VEFQACWEDVSIFS-BMIGLBTASA-N -1 3 313.344 2.690 20 0 DFADHM CCc1ccc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)s1 ZINC000362097126 428619729 /nfs/dbraw/zinc/61/97/29/428619729.db2.gz LWXPMSHRXJZEIC-ZETCQYMHSA-N -1 3 301.355 2.930 20 0 DFADHM COc1ccc2[nH]nc(NC(=O)c3cc([O-])ccc3Cl)c2c1 ZINC000344413679 428639682 /nfs/dbraw/zinc/63/96/82/428639682.db2.gz AJPXMAJCVXDHDI-UHFFFAOYSA-N -1 3 317.732 3.183 20 0 DFADHM CO[C@@H]1CN(Cc2cc(=O)oc3c(C)c([O-])ccc23)CC[C@@H]1C ZINC000189362236 274066333 /nfs/dbraw/zinc/06/63/33/274066333.db2.gz YYTLSDLZVCPDJS-MEDUHNTESA-N -1 3 317.385 2.664 20 0 DFADHM CC(C)[C@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCO1 ZINC000408410165 428655034 /nfs/dbraw/zinc/65/50/34/428655034.db2.gz KQCXLPRVDAOXFH-CQSZACIVSA-N -1 3 319.401 2.603 20 0 DFADHM CC[C@]1(C)COCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000408409612 428655655 /nfs/dbraw/zinc/65/56/55/428655655.db2.gz AIAJTTLCLXUFHG-GOSISDBHSA-N -1 3 319.401 2.747 20 0 DFADHM CC(C)c1cccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)n1 ZINC000353721724 428675183 /nfs/dbraw/zinc/67/51/83/428675183.db2.gz NRHDBKOZSAFKTI-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1cccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)n1 ZINC000353721724 428675187 /nfs/dbraw/zinc/67/51/87/428675187.db2.gz NRHDBKOZSAFKTI-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1cccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)n1 ZINC000353721724 428675192 /nfs/dbraw/zinc/67/51/92/428675192.db2.gz NRHDBKOZSAFKTI-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CCCOc1cccc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC000362312506 428699181 /nfs/dbraw/zinc/69/91/81/428699181.db2.gz KKWVDTKHNKJBQS-UHFFFAOYSA-N -1 3 316.405 2.679 20 0 DFADHM O=C(c1c[n-]nc1-c1ccccc1)N1C[C@@H](CO)c2ccccc21 ZINC000353785568 428712831 /nfs/dbraw/zinc/71/28/31/428712831.db2.gz 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Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3[C@H](C)C3(F)F)cc2)n1 ZINC000359052422 428793327 /nfs/dbraw/zinc/79/33/27/428793327.db2.gz IAMSSTYGNQBBHB-ZANVPECISA-N -1 3 319.311 2.585 20 0 DFADHM COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc([O-])c2)c2ccccc21 ZINC000374943694 428790052 /nfs/dbraw/zinc/79/00/52/428790052.db2.gz GWORCKPRHZZAGF-HZPDHXFCSA-N -1 3 311.337 2.524 20 0 DFADHM Cc1ncc(C(=O)[N-]c2nnc(-c3ccccn3)s2)s1 ZINC000345063077 428738136 /nfs/dbraw/zinc/73/81/36/428738136.db2.gz UNWWEWZRFZIAGO-UHFFFAOYSA-N -1 3 303.372 2.617 20 0 DFADHM CCc1noc(C)c1C(=O)[N-]c1cc(C(=O)OC)sc1C ZINC000411102386 428738573 /nfs/dbraw/zinc/73/85/73/428738573.db2.gz NWYIXOXGOAFICV-UHFFFAOYSA-N -1 3 308.359 2.954 20 0 DFADHM C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1c(F)cccc1F ZINC000353835206 428741492 /nfs/dbraw/zinc/74/14/92/428741492.db2.gz LGGJDADYAPONBI-QMMMGPOBSA-N -1 3 302.284 2.727 20 0 DFADHM CC(C)(C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)C1=CCCC1 ZINC000416504583 428743769 /nfs/dbraw/zinc/74/37/69/428743769.db2.gz 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428750352 /nfs/dbraw/zinc/75/03/52/428750352.db2.gz AMHMGRBDVCPDDJ-UHFFFAOYSA-N -1 3 319.792 2.738 20 0 DFADHM C[C@@]1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC=CCC1 ZINC000416559146 428751814 /nfs/dbraw/zinc/75/18/14/428751814.db2.gz NJGIJKGUDNHEBF-GFCCVEGCSA-N -1 3 320.336 2.878 20 0 DFADHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)o1 ZINC000416556090 428752057 /nfs/dbraw/zinc/75/20/57/428752057.db2.gz XWOKFIMOYPRWBE-UHFFFAOYSA-N -1 3 324.402 2.557 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1c1cccnc1 ZINC000363034315 428846197 /nfs/dbraw/zinc/84/61/97/428846197.db2.gz NSKGOHFSCDLZKZ-KRWDZBQOSA-N -1 3 319.364 2.900 20 0 DFADHM COCc1cccc2sc([N-]C(=O)c3snnc3C)nc21 ZINC000348811177 428848415 /nfs/dbraw/zinc/84/84/15/428848415.db2.gz BUTJNWDUAIFTGB-UHFFFAOYSA-N -1 3 320.399 2.855 20 0 DFADHM CCc1ccc([O-])c(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000359167297 428849019 /nfs/dbraw/zinc/84/90/19/428849019.db2.gz ZAXOWYNHGMDAED-KRWDZBQOSA-N -1 3 315.413 2.986 20 0 DFADHM O=C(c1ccc(Cl)cc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000345221698 428805352 /nfs/dbraw/zinc/80/53/52/428805352.db2.gz KPJMDKMKDBMCAY-UHFFFAOYSA-N -1 3 324.167 2.688 20 0 DFADHM COc1c(Cl)cccc1NC(=O)NCc1ncccc1[O-] ZINC000348722189 428820801 /nfs/dbraw/zinc/82/08/01/428820801.db2.gz SFIMNKYKKJYLJS-UHFFFAOYSA-N -1 3 307.737 2.771 20 0 DFADHM Cc1nnc(CC(=O)Nc2cc(Cc3ccccc3)ccc2[O-])o1 ZINC000362956687 428821927 /nfs/dbraw/zinc/82/19/27/428821927.db2.gz BSESTFHMJLTJLE-UHFFFAOYSA-N -1 3 323.352 2.856 20 0 DFADHM O=C(C[C@H](O)Cc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000362955699 428822376 /nfs/dbraw/zinc/82/23/76/428822376.db2.gz STOCKFBBUAOTTO-CYBMUJFWSA-N -1 3 305.761 2.978 20 0 DFADHM COc1cc(C(=O)NC2CCC(F)(F)CC2)cc(OC)c1[O-] ZINC000345302089 428835622 /nfs/dbraw/zinc/83/56/22/428835622.db2.gz OEXCCNRDBUVOBB-UHFFFAOYSA-N -1 3 315.316 2.717 20 0 DFADHM O=c1[n-]nc([C@H]2CCCN([C@@H]3C[C@H]3c3cccc(F)c3)C2)o1 ZINC000411674348 428839311 /nfs/dbraw/zinc/83/93/11/428839311.db2.gz PJLVTYUIIBHIGH-FPMFFAJLSA-N -1 3 303.337 2.650 20 0 DFADHM Cc1ccc([O-])c(CN2CCC(Nc3nccs3)CC2)n1 ZINC000375289405 428843205 /nfs/dbraw/zinc/84/32/05/428843205.db2.gz WFJKDSKWLLKEEC-UHFFFAOYSA-N -1 3 304.419 2.629 20 0 DFADHM C[C@@H]1C[C@@H]1c1cc(NC(=O)CCCc2ccc([O-])c(F)c2)n[nH]1 ZINC000348806934 428844677 /nfs/dbraw/zinc/84/46/77/428844677.db2.gz HEGSIYDRQQPSTC-PWSUYJOCSA-N -1 3 317.364 3.339 20 0 DFADHM Cc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)n1C ZINC000359292481 428906259 /nfs/dbraw/zinc/90/62/59/428906259.db2.gz UNTQJHYMPPKAPX-UHFFFAOYSA-N -1 3 317.299 2.649 20 0 DFADHM Cc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)n1C ZINC000359292481 428906267 /nfs/dbraw/zinc/90/62/67/428906267.db2.gz UNTQJHYMPPKAPX-UHFFFAOYSA-N -1 3 317.299 2.649 20 0 DFADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)n1C ZINC000359292481 428906271 /nfs/dbraw/zinc/90/62/71/428906271.db2.gz UNTQJHYMPPKAPX-UHFFFAOYSA-N -1 3 317.299 2.649 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@]3(C)CCOC3)nc2)n1 ZINC000354094960 428861515 /nfs/dbraw/zinc/86/15/15/428861515.db2.gz XNVWTXCRIZBGPJ-KRWDZBQOSA-N -1 3 314.389 2.645 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(F)(c3cccnc3)CC2)n1 ZINC000375364245 428864261 /nfs/dbraw/zinc/86/42/61/428864261.db2.gz XPHQZAHJDRQGHO-ZDUSSCGKSA-N -1 3 316.380 2.907 20 0 DFADHM Cc1cc([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)no1 ZINC000363141403 428866827 /nfs/dbraw/zinc/86/68/27/428866827.db2.gz VLFJGLHYELEBRJ-MRXNPFEDSA-N -1 3 323.352 2.802 20 0 DFADHM Cc1nc(C(C)(C)NC(=O)CCCc2ccc([O-])c(F)c2)no1 ZINC000345419468 428881311 /nfs/dbraw/zinc/88/13/11/428881311.db2.gz CQYQINNVMWMHOM-UHFFFAOYSA-N -1 3 321.352 2.597 20 0 DFADHM O=C(c1csc(=O)[n-]1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000348937605 428881821 /nfs/dbraw/zinc/88/18/21/428881821.db2.gz AZHRIFXMIRICDO-UHFFFAOYSA-N -1 3 310.325 2.932 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CC)s1 ZINC000359243177 428884223 /nfs/dbraw/zinc/88/42/23/428884223.db2.gz OHEQWTXCRKVEMI-WDEREUQCSA-N -1 3 302.465 2.953 20 0 DFADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)n1 ZINC000375456203 428888437 /nfs/dbraw/zinc/88/84/37/428888437.db2.gz QVQFGXZFAICTAL-HDMKZQKVSA-N -1 3 319.449 2.650 20 0 DFADHM CCCCCOCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000359269220 428896841 /nfs/dbraw/zinc/89/68/41/428896841.db2.gz CDYCAEOKSRSPKC-UHFFFAOYSA-N -1 3 324.331 2.895 20 0 DFADHM CCCCCOCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000359269220 428896848 /nfs/dbraw/zinc/89/68/48/428896848.db2.gz CDYCAEOKSRSPKC-UHFFFAOYSA-N -1 3 324.331 2.895 20 0 DFADHM CCCCCOCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000359269220 428896853 /nfs/dbraw/zinc/89/68/53/428896853.db2.gz CDYCAEOKSRSPKC-UHFFFAOYSA-N -1 3 324.331 2.895 20 0 DFADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(O)cc2[O-])o1 ZINC000363289409 428899599 /nfs/dbraw/zinc/89/95/99/428899599.db2.gz VLHNFPKBJCWJSW-ZDUSSCGKSA-N -1 3 319.382 2.930 20 0 DFADHM Cc1cccc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)c1[O-] ZINC000375591220 428917754 /nfs/dbraw/zinc/91/77/54/428917754.db2.gz LDFHPRUBHMDLAQ-LBPRGKRZSA-N -1 3 313.357 2.591 20 0 DFADHM CCc1cccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000359329185 428922291 /nfs/dbraw/zinc/92/22/91/428922291.db2.gz KUGPOLMKFMGCNX-UHFFFAOYSA-N -1 3 313.283 2.708 20 0 DFADHM CCc1cccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000359329185 428922294 /nfs/dbraw/zinc/92/22/94/428922294.db2.gz KUGPOLMKFMGCNX-UHFFFAOYSA-N -1 3 313.283 2.708 20 0 DFADHM CCc1cccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000359329185 428922298 /nfs/dbraw/zinc/92/22/98/428922298.db2.gz KUGPOLMKFMGCNX-UHFFFAOYSA-N -1 3 313.283 2.708 20 0 DFADHM Cc1csc(CNC(=O)c2c[n-]c3ccc(C)cc3c2=O)n1 ZINC000359351036 428934150 /nfs/dbraw/zinc/93/41/50/428934150.db2.gz XWJHRKVCYBFATL-UHFFFAOYSA-N -1 3 313.382 2.531 20 0 DFADHM O=C(Nc1cccc(-c2ccc(F)cc2Cl)n1)c1nnc[n-]1 ZINC000359371820 428942271 /nfs/dbraw/zinc/94/22/71/428942271.db2.gz LFVGDLVRZYQOIP-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1cccc(-c2ccc(F)cc2Cl)n1)c1nc[n-]n1 ZINC000359371820 428942277 /nfs/dbraw/zinc/94/22/77/428942277.db2.gz LFVGDLVRZYQOIP-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM CCC(=O)c1ccc(OCC(=O)[N-]c2onc(C)c2C)cc1 ZINC000359367819 428943114 /nfs/dbraw/zinc/94/31/14/428943114.db2.gz XUIIYYJAWMFWKL-UHFFFAOYSA-N -1 3 302.330 2.902 20 0 DFADHM CC(=O)c1ccc(C(=O)NCC2Cc3ccccc3C2)cc1[O-] ZINC000412126097 428960395 /nfs/dbraw/zinc/96/03/95/428960395.db2.gz QFGKHKQXHXYNFJ-UHFFFAOYSA-N -1 3 309.365 2.740 20 0 DFADHM CC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1[O-] ZINC000412139418 428963847 /nfs/dbraw/zinc/96/38/47/428963847.db2.gz RXFOCECDUONMQT-DOTOQJQBSA-N -1 3 309.365 2.956 20 0 DFADHM O=C(NCc1ncccc1[O-])N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000349340733 428964536 /nfs/dbraw/zinc/96/45/36/428964536.db2.gz IGUPKSOSFGLMQP-UWVGGRQHSA-N -1 3 317.311 2.708 20 0 DFADHM CC[C@H]1C[C@H](C)CN1C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000412151715 428966471 /nfs/dbraw/zinc/96/64/71/428966471.db2.gz FSBJQEICNXDQJK-RYUDHWBXSA-N -1 3 314.385 2.797 20 0 DFADHM COC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000354320643 428967234 /nfs/dbraw/zinc/96/72/34/428967234.db2.gz ZTEPBSXMVYWYAO-JTQLQIEISA-N -1 3 313.806 2.806 20 0 DFADHM CC(C)C[C@@H](C)S(=O)(=O)[N-][C@@H]1COc2cccc(F)c21 ZINC000363684483 428967565 /nfs/dbraw/zinc/96/75/65/428967565.db2.gz GVJGOQKCAAPPIJ-ZYHUDNBSSA-N -1 3 301.383 2.613 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](OCCC(C)C)C2)cc1[O-] ZINC000412168256 428970381 /nfs/dbraw/zinc/97/03/81/428970381.db2.gz BMPQKBYVDQGOEZ-OAHLLOKOSA-N -1 3 319.401 2.872 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000355054695 429024679 /nfs/dbraw/zinc/02/46/79/429024679.db2.gz QDVWCSSANSWZIM-HZSPNIEDSA-N -1 3 312.435 2.929 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)CCCCC(C)(C)C)n[n-]1 ZINC000355046955 429025422 /nfs/dbraw/zinc/02/54/22/429025422.db2.gz DTRSSBQBYAVGAI-UHFFFAOYSA-N -1 3 303.410 3.355 20 0 DFADHM Cn1ccnc1-c1cc(NC(=O)CCCCC(C)(C)C)[n-]n1 ZINC000355046955 429025426 /nfs/dbraw/zinc/02/54/26/429025426.db2.gz DTRSSBQBYAVGAI-UHFFFAOYSA-N -1 3 303.410 3.355 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cc1[O-] ZINC000412371938 429026535 /nfs/dbraw/zinc/02/65/35/429026535.db2.gz AEBRZQFAXHRWGU-GUYCJALGSA-N -1 3 319.401 2.776 20 0 DFADHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000451965526 429027436 /nfs/dbraw/zinc/02/74/36/429027436.db2.gz KSOICVFKWGITHF-NSHDSACASA-N -1 3 324.229 2.697 20 0 DFADHM CC(C)c1nc([C@H]2CN(Cc3cc([O-])cc(F)c3)CCO2)no1 ZINC000375972180 429031268 /nfs/dbraw/zinc/03/12/68/429031268.db2.gz CCDPZRRPPIULAR-CQSZACIVSA-N -1 3 321.352 2.611 20 0 DFADHM CC(=O)c1ccc(C(=O)N(C)CCc2ncc(C)s2)cc1[O-] ZINC000412218729 428987382 /nfs/dbraw/zinc/98/73/82/428987382.db2.gz SEOUSKISRKARDA-UHFFFAOYSA-N -1 3 318.398 2.674 20 0 DFADHM C[C@H](CNC(=O)NCc1ncccc1[O-])c1ccc(F)cc1F ZINC000349463608 428989382 /nfs/dbraw/zinc/98/93/82/428989382.db2.gz KHFDGILWWFWRML-SNVBAGLBSA-N -1 3 321.327 2.668 20 0 DFADHM C[C@@H](N=c1nc2[nH][n-]cc-2c(N)n1)c1ccc(Cl)cc1Cl ZINC000354521460 428993107 /nfs/dbraw/zinc/99/31/07/428993107.db2.gz JFFKHHDBIVJIAX-ZCFIWIBFSA-N -1 3 323.187 2.789 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC2(C1)CCOCC2 ZINC000363796681 428994546 /nfs/dbraw/zinc/99/45/46/428994546.db2.gz CIXXLZKVQZGQAZ-UHFFFAOYSA-N -1 3 315.413 2.914 20 0 DFADHM COc1cccc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c1[O-] ZINC000375849896 428996074 /nfs/dbraw/zinc/99/60/74/428996074.db2.gz QNKQELKIRJPIEE-MRXNPFEDSA-N -1 3 319.401 2.822 20 0 DFADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000412255811 428997630 /nfs/dbraw/zinc/99/76/30/428997630.db2.gz GLSLNSRYOWMEDU-BDJLRTHQSA-N -1 3 314.385 2.797 20 0 DFADHM CC(C)C1(C)CCN(C(=O)c2c[n-]c3ccncc3c2=O)CC1 ZINC000412266886 429001495 /nfs/dbraw/zinc/00/14/95/429001495.db2.gz DZTLEHDWPHTCCX-UHFFFAOYSA-N -1 3 313.401 2.821 20 0 DFADHM C/C=C/C[C@H]([N-]S(=O)(=O)CCCC(C)(C)C)C(=O)OCC ZINC000349580439 429007398 /nfs/dbraw/zinc/00/73/98/429007398.db2.gz LXMGAENVAJROTJ-CFNZNRNTSA-N -1 3 319.467 2.630 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CCC[C@@]3(CCSC3)C2)cc1[O-] ZINC000412401759 429034522 /nfs/dbraw/zinc/03/45/22/429034522.db2.gz HVPJLJDIIQCUCY-QGZVFWFLSA-N -1 3 319.426 2.954 20 0 DFADHM CCC[C@@H](CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)OC ZINC000452294565 429091286 /nfs/dbraw/zinc/09/12/86/429091286.db2.gz IFDMVJONEZEEHE-LBPRGKRZSA-N -1 3 320.364 2.521 20 0 DFADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000451997369 429035191 /nfs/dbraw/zinc/03/51/91/429035191.db2.gz SYOFPKJVKRSQGA-AMIZOPFISA-N -1 3 321.801 2.571 20 0 DFADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000412427753 429037408 /nfs/dbraw/zinc/03/74/08/429037408.db2.gz PQECRGBOACGKBB-PBHICJAKSA-N -1 3 305.422 2.673 20 0 DFADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000412427772 429038745 /nfs/dbraw/zinc/03/87/45/429038745.db2.gz PQECRGBOACGKBB-YOEHRIQHSA-N -1 3 305.422 2.673 20 0 DFADHM C[C@@H](CCCc1cccnc1)NC(=O)c1c([O-])cccc1O ZINC000412418590 429039046 /nfs/dbraw/zinc/03/90/46/429039046.db2.gz OWAILKGVTAXZKP-LBPRGKRZSA-N -1 3 300.358 2.634 20 0 DFADHM Cc1cc(C)c(C[N-]S(=O)(=O)c2sccc2Cl)cn1 ZINC000452044065 429042217 /nfs/dbraw/zinc/04/22/17/429042217.db2.gz QNVYXQZXSCRSIR-UHFFFAOYSA-N -1 3 316.835 2.892 20 0 DFADHM Cc1cccc(C(C)C)c1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000433685730 429043793 /nfs/dbraw/zinc/04/37/93/429043793.db2.gz PIICQZYXLAADKJ-UHFFFAOYSA-N -1 3 314.389 2.932 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(NCCSC(C)C)nc2)n1 ZINC000376175736 429070799 /nfs/dbraw/zinc/07/07/99/429070799.db2.gz ZEFUDJMBNPIBHV-UHFFFAOYSA-N -1 3 318.446 3.360 20 0 DFADHM CSc1cccc([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424066048 429086070 /nfs/dbraw/zinc/08/60/70/429086070.db2.gz MVVCFJQGBDLHAA-UHFFFAOYSA-N -1 3 301.433 2.577 20 0 DFADHM CCN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1OC(F)F ZINC000424071590 429087107 /nfs/dbraw/zinc/08/71/07/429087107.db2.gz VAZJRKBBOKLBDH-UHFFFAOYSA-N -1 3 314.741 2.550 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000435576596 429149015 /nfs/dbraw/zinc/14/90/15/429149015.db2.gz BVTYHPWQFCEDNE-CQDKDKBSSA-N -1 3 319.368 2.855 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000435576596 429149019 /nfs/dbraw/zinc/14/90/19/429149019.db2.gz BVTYHPWQFCEDNE-CQDKDKBSSA-N -1 3 319.368 2.855 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000435576596 429149022 /nfs/dbraw/zinc/14/90/22/429149022.db2.gz BVTYHPWQFCEDNE-CQDKDKBSSA-N -1 3 319.368 2.855 20 0 DFADHM Cc1cc(CNC(=O)CCCc2ccc([O-])c(F)c2)ccn1 ZINC000452405691 429108843 /nfs/dbraw/zinc/10/88/43/429108843.db2.gz KDXHPELZINUTJH-UHFFFAOYSA-N -1 3 302.349 2.874 20 0 DFADHM Cc1cccc(C(=O)N2C[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000412956899 429115703 /nfs/dbraw/zinc/11/57/03/429115703.db2.gz GMYCTHUBBIKPFZ-TZMCWYRMSA-N -1 3 319.401 2.750 20 0 DFADHM C[C@@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]1C(=O)[O-] ZINC000424267013 429116352 /nfs/dbraw/zinc/11/63/52/429116352.db2.gz JSDKDKOPXDQXKZ-WBMJQRKESA-N -1 3 317.364 2.697 20 0 DFADHM C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)[C@H]1C(=O)[O-] ZINC000424272358 429118325 /nfs/dbraw/zinc/11/83/25/429118325.db2.gz QMTHEYAGNRLSPE-BXKDBHETSA-N -1 3 302.296 2.786 20 0 DFADHM CCOC(=O)c1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000412985922 429119281 /nfs/dbraw/zinc/11/92/81/429119281.db2.gz UZELRHDAFMLVGN-UHFFFAOYSA-N -1 3 314.341 2.815 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000452589698 429130822 /nfs/dbraw/zinc/13/08/22/429130822.db2.gz NTIJWBZCXXDZIR-IMJJTQAJSA-N -1 3 321.392 2.616 20 0 DFADHM CC(Cl)(Cl)C(=O)[N-]Cc1noc(-c2ccccc2F)n1 ZINC000376557603 429134952 /nfs/dbraw/zinc/13/49/52/429134952.db2.gz UDTGSCGFHWGJOE-UHFFFAOYSA-N -1 3 318.135 2.686 20 0 DFADHM COc1cc(C(=O)N[C@H]2COc3cccc(Cl)c32)ccc1[O-] ZINC000494848404 429160304 /nfs/dbraw/zinc/16/03/04/429160304.db2.gz XHHGFSUUPMLONP-NSHDSACASA-N -1 3 319.744 2.918 20 0 DFADHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CCC[C@H](F)C2)n[n-]1 ZINC000424609348 429162236 /nfs/dbraw/zinc/16/22/36/429162236.db2.gz OQGYYDMZWUPHDB-MNOVXSKESA-N -1 3 318.352 2.947 20 0 DFADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc(F)cc(F)c2)s1 ZINC000364023768 429159397 /nfs/dbraw/zinc/15/93/97/429159397.db2.gz OFPJLYSSIRZTER-UHFFFAOYSA-N -1 3 321.312 2.767 20 0 DFADHM Cc1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)ns1 ZINC000436022943 429177071 /nfs/dbraw/zinc/17/70/71/429177071.db2.gz CURYKRRVGWFEKN-SNAWJCMRSA-N -1 3 318.383 3.319 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@@H]1c1ccco1 ZINC000435929579 429172203 /nfs/dbraw/zinc/17/22/03/429172203.db2.gz SUMSDMQYWAHWSI-GFCCVEGCSA-N -1 3 300.293 2.667 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@@H]1c1ccco1 ZINC000435929579 429172206 /nfs/dbraw/zinc/17/22/06/429172206.db2.gz SUMSDMQYWAHWSI-GFCCVEGCSA-N -1 3 300.293 2.667 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@@H]1c1ccco1 ZINC000435929579 429172210 /nfs/dbraw/zinc/17/22/10/429172210.db2.gz SUMSDMQYWAHWSI-GFCCVEGCSA-N -1 3 300.293 2.667 20 0 DFADHM CCN(Cc1ccc(C(=O)N(CC(=O)[O-])C(C)C)cc1)C1CC1 ZINC000436056563 429178369 /nfs/dbraw/zinc/17/83/69/429178369.db2.gz ZMWOVTUMKSAVNA-UHFFFAOYSA-N -1 3 318.417 2.606 20 0 DFADHM Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000424711102 429179568 /nfs/dbraw/zinc/17/95/68/429179568.db2.gz BQIRATVSYSYRQE-ZJUUUORDSA-N -1 3 310.279 2.874 20 0 DFADHM Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000424711102 429179573 /nfs/dbraw/zinc/17/95/73/429179573.db2.gz BQIRATVSYSYRQE-ZJUUUORDSA-N -1 3 310.279 2.874 20 0 DFADHM CN(C)[C@]1(C(=O)Nc2cc(F)ccc2[O-])CCc2ccccc21 ZINC000364372392 429193443 /nfs/dbraw/zinc/19/34/43/429193443.db2.gz CWGRJRBSEMMXAX-GOSISDBHSA-N -1 3 314.360 2.873 20 0 DFADHM CCc1ccc(C(=O)N2CCC(n3ccc(C)n3)CC2)c([O-])c1 ZINC000364448957 429206208 /nfs/dbraw/zinc/20/62/08/429206208.db2.gz RUDHQBNIOAFKKL-UHFFFAOYSA-N -1 3 313.401 2.937 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)[N-]OC[C@@H]2CCOC2)o1 ZINC000364545723 429222912 /nfs/dbraw/zinc/22/29/12/429222912.db2.gz JRWOGFSNGGTSBD-RGDJUOJXSA-N -1 3 305.374 2.591 20 0 DFADHM Cc1cc([N-]C(=O)c2c(F)c(F)cc(F)c2F)cn(C)c1=O ZINC000489216115 429223771 /nfs/dbraw/zinc/22/37/71/429223771.db2.gz KDIYKIVTRQWDRM-UHFFFAOYSA-N -1 3 314.238 2.502 20 0 DFADHM CCSc1nnc(NC(=O)c2ccc([O-])c(CC)c2)s1 ZINC000436684446 429201783 /nfs/dbraw/zinc/20/17/83/429201783.db2.gz AOVGUPRYSVCZKX-UHFFFAOYSA-N -1 3 309.416 3.170 20 0 DFADHM CCOC(=O)N(C)c1ccc(NC([O-])=NOCC(F)F)cc1 ZINC000495387782 429204164 /nfs/dbraw/zinc/20/41/64/429204164.db2.gz LCUZTCLSQHMPJE-UHFFFAOYSA-N -1 3 317.292 2.598 20 0 DFADHM CCOC(=O)N(C)c1ccc(NC(=O)[N-]OCC(F)F)cc1 ZINC000495387782 429204167 /nfs/dbraw/zinc/20/41/67/429204167.db2.gz LCUZTCLSQHMPJE-UHFFFAOYSA-N -1 3 317.292 2.598 20 0 DFADHM CC(C)(C)OC(=O)NCC1(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000495393518 429205443 /nfs/dbraw/zinc/20/54/43/429205443.db2.gz QHSISILFSAHPSL-UHFFFAOYSA-N -1 3 324.352 2.775 20 0 DFADHM Cc1cccc(NC(=O)Cc2noc(-c3ccccc3[O-])n2)c1 ZINC000445325661 429284911 /nfs/dbraw/zinc/28/49/11/429284911.db2.gz WYCIOSHSLGUCJP-UHFFFAOYSA-N -1 3 309.325 2.932 20 0 DFADHM COc1cc(C(=O)NCc2ccn(C3CCCC3)n2)ccc1[O-] ZINC000442826192 429237437 /nfs/dbraw/zinc/23/74/37/429237437.db2.gz WNKSLFJHZPJFAB-UHFFFAOYSA-N -1 3 315.373 2.642 20 0 DFADHM CCC[C@@H](C)CS(=O)(=O)[N-]CC(=O)c1c(F)cccc1F ZINC000425193863 429245202 /nfs/dbraw/zinc/24/52/02/429245202.db2.gz MADZCOGTAOWPHP-SNVBAGLBSA-N -1 3 319.373 2.503 20 0 DFADHM COC(=O)c1sc2[n-]c(-c3ccncc3F)nc(=O)c2c1C ZINC000443413166 429249371 /nfs/dbraw/zinc/24/93/71/429249371.db2.gz FFCTXRNHXCRIOY-UHFFFAOYSA-N -1 3 319.317 2.693 20 0 DFADHM O=C(c1cccc([O-])c1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000456177352 429253530 /nfs/dbraw/zinc/25/35/30/429253530.db2.gz ZKJMGNZYGNJWEV-CVEARBPZSA-N -1 3 301.386 2.814 20 0 DFADHM Cc1ccc(NC(=O)CNCc2nc(C)ccc2[O-])c(Cl)c1 ZINC000425370401 429279638 /nfs/dbraw/zinc/27/96/38/429279638.db2.gz OCRSYHZKHKRSQM-UHFFFAOYSA-N -1 3 319.792 2.786 20 0 DFADHM COc1ccc(-c2n[nH]cc2C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000445154743 429281722 /nfs/dbraw/zinc/28/17/22/429281722.db2.gz ASGVQWYLXJTXNW-UHFFFAOYSA-N -1 3 324.340 2.747 20 0 DFADHM CO[C@@H]([C@@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F)C1CC1 ZINC000456558773 429324087 /nfs/dbraw/zinc/32/40/87/429324087.db2.gz KMJIXYWGYAKWJM-OQPBUACISA-N -1 3 317.307 2.954 20 0 DFADHM CSc1ccc(C(=O)N2CCOC[C@@H]2c2ccco2)c([O-])c1 ZINC000365520432 429333375 /nfs/dbraw/zinc/33/33/75/429333375.db2.gz GMDVJFHOZGWWRR-CYBMUJFWSA-N -1 3 319.382 2.921 20 0 DFADHM CSc1ccc(C(=O)N2CCOCC3(CCC3)C2)c([O-])c1 ZINC000365522056 429333433 /nfs/dbraw/zinc/33/34/33/429333433.db2.gz LZQAREFPQHSWOG-UHFFFAOYSA-N -1 3 307.415 2.757 20 0 DFADHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2ccco2)c1 ZINC000445731189 429291396 /nfs/dbraw/zinc/29/13/96/429291396.db2.gz HHNRZNIKHIYRSI-KBPBESRZSA-N -1 3 307.371 2.513 20 0 DFADHM CC(C)O[N-]C(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000495922630 429294993 /nfs/dbraw/zinc/29/49/93/429294993.db2.gz VOXGTMRIHSJXBH-ZDUSSCGKSA-N -1 3 314.426 2.870 20 0 DFADHM C[C@@H]1C[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)c2nccn21 ZINC000456395745 429298617 /nfs/dbraw/zinc/29/86/17/429298617.db2.gz ARMQEFDRXDQWCM-NOZJJQNGSA-N -1 3 305.765 2.607 20 0 DFADHM C[C@H]1C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2nccn21 ZINC000456404240 429299762 /nfs/dbraw/zinc/29/97/62/429299762.db2.gz FZFPJCWUCRRKHR-SMDDNHRTSA-N -1 3 317.364 2.873 20 0 DFADHM CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000456404933 429299906 /nfs/dbraw/zinc/29/99/06/429299906.db2.gz MLISAIKULQDKJZ-MFKMUULPSA-N -1 3 311.765 2.507 20 0 DFADHM CCOC(=O)c1cc(C(=O)[N-]c2scnc2C(C)C)on1 ZINC000456433759 429306230 /nfs/dbraw/zinc/30/62/30/429306230.db2.gz GOKIXRBEWAGFLZ-UHFFFAOYSA-N -1 3 309.347 2.684 20 0 DFADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1ncncc1Cl ZINC000448491737 429312861 /nfs/dbraw/zinc/31/28/61/429312861.db2.gz JDCGGUPMAQQYIZ-UHFFFAOYSA-N -1 3 318.695 3.176 20 0 DFADHM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000365912798 429401264 /nfs/dbraw/zinc/40/12/64/429401264.db2.gz SXGKERTZVCYJSZ-CYBMUJFWSA-N -1 3 322.368 2.683 20 0 DFADHM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000365912798 429401267 /nfs/dbraw/zinc/40/12/67/429401267.db2.gz SXGKERTZVCYJSZ-CYBMUJFWSA-N -1 3 322.368 2.683 20 0 DFADHM CCOc1cccc(CNC[C@@]2(CC(=O)[O-])CC[C@H](C)C2)n1 ZINC000426630013 429404786 /nfs/dbraw/zinc/40/47/86/429404786.db2.gz SNOGHVCAYXEBNO-GUYCJALGSA-N -1 3 306.406 2.851 20 0 DFADHM Cn1c(CNCCCCCC(=O)[O-])nc2cc(Cl)ccc21 ZINC000426694064 429408535 /nfs/dbraw/zinc/40/85/35/429408535.db2.gz GUWSOOSQANPTFD-UHFFFAOYSA-N -1 3 309.797 2.961 20 0 DFADHM CCc1ccc(CNCCc2ccc(OCC(=O)[O-])cc2)o1 ZINC000426680128 429409308 /nfs/dbraw/zinc/40/93/08/429409308.db2.gz KVZNEYUARUUXFF-UHFFFAOYSA-N -1 3 303.358 2.638 20 0 DFADHM COc1cccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000491350101 429350326 /nfs/dbraw/zinc/35/03/26/429350326.db2.gz IXAORSNNGLLHJY-YHYXMXQVSA-N -1 3 321.340 2.527 20 0 DFADHM COc1cccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000491350101 429350331 /nfs/dbraw/zinc/35/03/31/429350331.db2.gz IXAORSNNGLLHJY-YHYXMXQVSA-N -1 3 321.340 2.527 20 0 DFADHM COc1ccc(/C=C/C(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000491367007 429353664 /nfs/dbraw/zinc/35/36/64/429353664.db2.gz NDFKOFIVYXPKJY-PMGBHYCQSA-N -1 3 311.765 2.936 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cc(-c3ccccc3C)[nH]n2)c1 ZINC000512346924 429358976 /nfs/dbraw/zinc/35/89/76/429358976.db2.gz JFFOLCOVTAAING-UHFFFAOYSA-N -1 3 323.352 3.352 20 0 DFADHM COc1ccc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c([O-])c1 ZINC000456958068 429369045 /nfs/dbraw/zinc/36/90/45/429369045.db2.gz BFRUMAYLMWFQNV-SJECXTJVSA-N -1 3 301.386 2.909 20 0 DFADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)CC(C)(F)F ZINC000365797174 429373843 /nfs/dbraw/zinc/37/38/43/429373843.db2.gz MBEBGKZEWQXTAJ-UHFFFAOYSA-N -1 3 314.723 2.541 20 0 DFADHM CCc1cc(C(=O)Nc2cccnc2-n2cccn2)ccc1[O-] ZINC000365856753 429388173 /nfs/dbraw/zinc/38/81/73/429388173.db2.gz OXIPBHCJAFDOEG-UHFFFAOYSA-N -1 3 308.341 2.788 20 0 DFADHM O=C(NCc1cccc(-c2cccnc2)c1)c1csc(=O)[n-]1 ZINC000366241413 429438444 /nfs/dbraw/zinc/43/84/44/429438444.db2.gz XRXIGOSMPGVSEM-UHFFFAOYSA-N -1 3 311.366 2.841 20 0 DFADHM CSc1ccc(CNC(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000491968351 429443260 /nfs/dbraw/zinc/44/32/60/429443260.db2.gz ZYWZNLPHHAVECQ-DAXSKMNVSA-N -1 3 300.383 2.839 20 0 DFADHM CC(C)[C@H](CC(F)(F)F)NC(=O)/C=C/c1cncc([O-])c1 ZINC000492013407 429451290 /nfs/dbraw/zinc/45/12/90/429451290.db2.gz DDPYJKJLYQFLEE-PCAWENJQSA-N -1 3 302.296 2.894 20 0 DFADHM CSc1ccc(OCCN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000519412937 429457590 /nfs/dbraw/zinc/45/75/90/429457590.db2.gz VFNQSZZQVGAPMB-HNNXBMFYSA-N -1 3 321.442 2.974 20 0 DFADHM O=C([O-])[C@H](NCc1ccc2ncccc2c1)c1ccc(O)cc1 ZINC000426785995 429415045 /nfs/dbraw/zinc/41/50/45/429415045.db2.gz RWNDMBVIGFEZHC-QGZVFWFLSA-N -1 3 308.337 2.856 20 0 DFADHM COCc1cccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426796157 429416597 /nfs/dbraw/zinc/41/65/97/429416597.db2.gz ALEOMQDLIOBWPD-MRXNPFEDSA-N -1 3 303.333 2.888 20 0 DFADHM O=C([O-])c1ccc(CN2CC[C@H](Cc3ccc(F)cc3)C2)nc1 ZINC000518386962 429419060 /nfs/dbraw/zinc/41/90/60/429419060.db2.gz SCHYNRKQOFFUTB-CQSZACIVSA-N 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C=Cc1ccc(CCNC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000428281733 429508485 /nfs/dbraw/zinc/50/84/85/429508485.db2.gz MWZKNJHDEDICJN-UHFFFAOYSA-N -1 3 310.332 2.713 20 0 DFADHM C=Cc1ccc(CCNC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000428281733 429508488 /nfs/dbraw/zinc/50/84/88/429508488.db2.gz MWZKNJHDEDICJN-UHFFFAOYSA-N -1 3 310.332 2.713 20 0 DFADHM C[C@@H]1C[C@]2(CCO1)CN(Cc1cc([O-])cc(F)c1)C[C@H](C)O2 ZINC000366808837 429518799 /nfs/dbraw/zinc/51/87/99/429518799.db2.gz KBVWMTSNIHLJCQ-IIYDPXPESA-N -1 3 309.381 2.690 20 0 DFADHM CCOc1nc2cc(C(=O)N[C@H](C)C[C@@H]3CCCO3)ccc2[n-]1 ZINC000449838122 429521075 /nfs/dbraw/zinc/52/10/75/429521075.db2.gz DBTFRETVUWUHTG-YPMHNXCESA-N -1 3 317.389 2.649 20 0 DFADHM CCOc1nc2ccc(C(=O)N[C@H](C)C[C@@H]3CCCO3)cc2[n-]1 ZINC000449838122 429521081 /nfs/dbraw/zinc/52/10/81/429521081.db2.gz DBTFRETVUWUHTG-YPMHNXCESA-N -1 3 317.389 2.649 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@@H]1C[C@H]1C(F)(F)F ZINC000449844478 429522534 /nfs/dbraw/zinc/52/25/34/429522534.db2.gz 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ZINC000449910890 429536142 /nfs/dbraw/zinc/53/61/42/429536142.db2.gz GZWNDHRIBDXIGF-SNVBAGLBSA-N -1 3 305.403 2.539 20 0 DFADHM Cn1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)c2ccccc2)n1 ZINC000521037882 429536222 /nfs/dbraw/zinc/53/62/22/429536222.db2.gz VFQMIFINVLTAQE-AWEZNQCLSA-N -1 3 321.446 2.876 20 0 DFADHM Cc1csc(C(C)(C)NC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC000449913722 429536974 /nfs/dbraw/zinc/53/69/74/429536974.db2.gz JOVVMYUFOXWLFX-UHFFFAOYSA-N -1 3 308.378 2.890 20 0 DFADHM O=C(/C=C/c1c(Cl)cccc1Cl)[N-]O[C@H]1CCOC1 ZINC000492476651 429546019 /nfs/dbraw/zinc/54/60/19/429546019.db2.gz STZALYCFBMSHDO-MOVJSRMASA-N -1 3 302.157 2.843 20 0 DFADHM C[C@@H](CCCc1cccnc1)NC(=O)c1ccc(O)cc1[O-] ZINC000457900987 429546634 /nfs/dbraw/zinc/54/66/34/429546634.db2.gz CSSNAHHMISKZKA-LBPRGKRZSA-N -1 3 300.358 2.634 20 0 DFADHM COc1cc(C(=O)N[C@@H](C)c2nc3c(s2)CCC3)ccc1[O-] ZINC000457910958 429547307 /nfs/dbraw/zinc/54/73/07/429547307.db2.gz FKOKTOKWLZWVNW-VIFPVBQESA-N -1 3 318.398 2.837 20 0 DFADHM 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/nfs/dbraw/zinc/86/47/81/429864781.db2.gz NPMQAGWVORRBKB-HNNXBMFYSA-N -1 3 306.362 2.868 20 0 DFADHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)OC ZINC000451640254 429864977 /nfs/dbraw/zinc/86/49/77/429864977.db2.gz OCKAWSWKKSUZIK-JTQLQIEISA-N -1 3 309.790 2.573 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2coc3ccccc23)s1 ZINC000432275854 429811804 /nfs/dbraw/zinc/81/18/04/429811804.db2.gz FBGLFPDBPADBIY-UHFFFAOYSA-N -1 3 322.411 2.985 20 0 DFADHM O=C(c1cc([O-])ccc1Cl)N1CCC(c2cnccn2)CC1 ZINC000368243910 429814659 /nfs/dbraw/zinc/81/46/59/429814659.db2.gz MXNHCCPIWNBYKS-UHFFFAOYSA-N -1 3 317.776 2.855 20 0 DFADHM O=S(=O)([N-]CC[C@H]1CCCOC1)c1cc(F)ccc1Cl ZINC000528449122 429890088 /nfs/dbraw/zinc/89/00/88/429890088.db2.gz LOWPWVGEBJDHPZ-SNVBAGLBSA-N -1 3 321.801 2.574 20 0 DFADHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC2CC=CC2)c1 ZINC000528470838 429891372 /nfs/dbraw/zinc/89/13/72/429891372.db2.gz OLMGEEDVOOXVCE-UHFFFAOYSA-N -1 3 301.795 2.593 20 0 DFADHM CCC([N-]S(=O)(=O)c1cn(C(C)C)cn1)(C1CC1)C1CC1 ZINC000528492902 429893606 /nfs/dbraw/zinc/89/36/06/429893606.db2.gz UMEXKWADRRTGTP-UHFFFAOYSA-N -1 3 311.451 2.711 20 0 DFADHM O=C([C@@H]1CCCN(Cc2cc([O-])cc(F)c2)C1)N1CCCCC1 ZINC000368827623 429897162 /nfs/dbraw/zinc/89/71/62/429897162.db2.gz YFVOMXVJUDJSMI-OAHLLOKOSA-N -1 3 320.408 2.756 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)Nc1cccc2c1CN(C1CC1)C2 ZINC000368835278 429897330 /nfs/dbraw/zinc/89/73/30/429897330.db2.gz RTXBINBRGDJLCB-QPJJXVBHSA-N -1 3 321.380 2.917 20 0 DFADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000528558382 429899203 /nfs/dbraw/zinc/89/92/03/429899203.db2.gz XAEYXWKKZMYBAY-FBKDDSFISA-N -1 3 317.838 2.571 20 0 DFADHM C[C@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ncccc1F ZINC000528573492 429900304 /nfs/dbraw/zinc/90/03/04/429900304.db2.gz YZPBVKBPELURIN-VHSXEESVSA-N -1 3 322.352 2.637 20 0 DFADHM CSc1ccc(C(=O)N2CCCC[C@@H]2c2ncon2)c([O-])c1 ZINC000368937195 429903113 /nfs/dbraw/zinc/90/31/13/429903113.db2.gz FOWYJQOBICGWPH-GFCCVEGCSA-N -1 3 319.386 2.865 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2CCCC23CC3)c1 ZINC000528661685 429905852 /nfs/dbraw/zinc/90/58/52/429905852.db2.gz MFZQBQLAJIBBMC-GFCCVEGCSA-N -1 3 322.430 2.885 20 0 DFADHM Cc1noc([C@H](NC(=O)c2ccc(C)cc2[O-])c2ccccc2)n1 ZINC000369116443 429913542 /nfs/dbraw/zinc/91/35/42/429913542.db2.gz KXBJDMOILJZMCR-MRXNPFEDSA-N -1 3 323.352 2.911 20 0 DFADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1ncc(-c2ccccc2)o1 ZINC000369283834 429922164 /nfs/dbraw/zinc/92/21/64/429922164.db2.gz OTZNFMCLTFFHCX-VIFPVBQESA-N -1 3 315.354 2.995 20 0 DFADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)c3ccccc32)n1 ZINC000573086682 429925099 /nfs/dbraw/zinc/92/50/99/429925099.db2.gz JVTRKIFPKQKLTD-CQSZACIVSA-N -1 3 319.430 2.511 20 0 DFADHM CCc1cccc(C(=O)Nc2cccc3c2oc(=O)n3C)c1[O-] ZINC000556984640 429925964 /nfs/dbraw/zinc/92/59/64/429925964.db2.gz GXPVKJRQEPFCDI-UHFFFAOYSA-N -1 3 312.325 2.652 20 0 DFADHM Cn1ncc2c1CCC[C@H]2[N-]c1nc(-c2ccc(F)cc2)no1 ZINC000623847023 429927821 /nfs/dbraw/zinc/92/78/21/429927821.db2.gz BQTHIBBNCJMJSI-CYBMUJFWSA-N -1 3 313.336 3.099 20 0 DFADHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)OC ZINC000451671815 429870512 /nfs/dbraw/zinc/87/05/12/429870512.db2.gz GUPKERAFFHYXBD-CABZTGNLSA-N -1 3 323.817 2.819 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1ccccc1-c1ccno1)C(C)(F)F ZINC000451693346 429873196 /nfs/dbraw/zinc/87/31/96/429873196.db2.gz XPSRBXVGHJXAQX-VIFPVBQESA-N -1 3 316.329 2.664 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@@H]1C(F)F ZINC000558714619 429987202 /nfs/dbraw/zinc/98/72/02/429987202.db2.gz BBBFVQATWDDXNX-BQBZGAKWSA-N -1 3 306.106 2.994 20 0 DFADHM CN(CCN1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000573733412 429978126 /nfs/dbraw/zinc/97/81/26/429978126.db2.gz HZJMERIYPMDZLA-UHFFFAOYSA-N -1 3 310.397 2.879 20 0 DFADHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000558640325 429981719 /nfs/dbraw/zinc/98/17/19/429981719.db2.gz FQPUECSCSPQQNR-IMTBSYHQSA-N -1 3 316.258 2.510 20 0 DFADHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000558640325 429981722 /nfs/dbraw/zinc/98/17/22/429981722.db2.gz FQPUECSCSPQQNR-IMTBSYHQSA-N -1 3 316.258 2.510 20 0 DFADHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000558640325 429981725 /nfs/dbraw/zinc/98/17/25/429981725.db2.gz FQPUECSCSPQQNR-IMTBSYHQSA-N -1 3 316.258 2.510 20 0 DFADHM O=c1cc(C[S@](=O)Cc2ccc(F)c(F)c2)nc(C2CC2)[n-]1 ZINC000557123531 429931875 /nfs/dbraw/zinc/93/18/75/429931875.db2.gz UONJVJQBBCAYPZ-JOCHJYFZSA-N -1 3 324.352 2.787 20 0 DFADHM Cc1nnc([C@@H]2CC23CCN(Cc2nc(C)ccc2[O-])CC3)o1 ZINC000369418609 429940763 /nfs/dbraw/zinc/94/07/63/429940763.db2.gz OPTVVXMOVHHSPE-ZDUSSCGKSA-N -1 3 314.389 2.557 20 0 DFADHM Cc1ccc(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)c([O-])c1 ZINC000369416772 429941942 /nfs/dbraw/zinc/94/19/42/429941942.db2.gz ITKGLJLRLSNQRI-HUUCEWRRSA-N -1 3 303.402 2.979 20 0 DFADHM Cc1cnc(-c2cccc([N-]S(=O)(=O)C[C@H]3CCCO3)c2)o1 ZINC000369432620 429944321 /nfs/dbraw/zinc/94/43/21/429944321.db2.gz BLBHNKQCNHOLQZ-CQSZACIVSA-N -1 3 322.386 2.571 20 0 DFADHM Cc1ncc(CNC(=O)c2ccsc2C(F)(F)F)c(=O)[n-]1 ZINC000529011261 429950182 /nfs/dbraw/zinc/95/01/82/429950182.db2.gz SGQVMSLCNBOHGF-UHFFFAOYSA-N -1 3 317.292 2.501 20 0 DFADHM C[C@@]1(Br)C[C@@H]1C(=O)[N-]OCc1ccc(F)cc1 ZINC000529035647 429952406 /nfs/dbraw/zinc/95/24/06/429952406.db2.gz ZGTVJOKVNWLRRG-ZYHUDNBSSA-N -1 3 302.143 2.547 20 0 DFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](c3ccccc3C)C2)n1 ZINC000369475388 429953489 /nfs/dbraw/zinc/95/34/89/429953489.db2.gz DQUZRNZCMSXZNH-ZBFHGGJFSA-N -1 3 313.401 2.934 20 0 DFADHM Cc1c2occ([O-])c2ccc1OCC(=O)N(C(C)C)C(C)C ZINC000634560469 430034889 /nfs/dbraw/zinc/03/48/89/430034889.db2.gz KDJPHALHZOYRMP-UHFFFAOYSA-N -1 3 305.374 2.594 20 0 DFADHM CCCCc1nc(COc2cc3occ([O-])c3c(C)c2)no1 ZINC000634561231 430035910 /nfs/dbraw/zinc/03/59/10/430035910.db2.gz RPPJXIAYXXPQTG-UHFFFAOYSA-N -1 3 302.330 2.875 20 0 DFADHM O=C(NCC[C@@H]1CCCOC1)c1ccc2c(c1[O-])CCCC2 ZINC000529601103 430038234 /nfs/dbraw/zinc/03/82/34/430038234.db2.gz RPLDIGYDCIPJQK-ZDUSSCGKSA-N -1 3 303.402 2.818 20 0 DFADHM CC1(C)Cc2ccsc2CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000574410905 430039818 /nfs/dbraw/zinc/03/98/18/430039818.db2.gz QIALLHZJJQIPIO-UHFFFAOYSA-N -1 3 312.398 2.997 20 0 DFADHM COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1ncccc1[O-] ZINC000574485898 430045377 /nfs/dbraw/zinc/04/53/77/430045377.db2.gz POCLCSFHJXOEDC-AWEZNQCLSA-N -1 3 314.385 2.599 20 0 DFADHM O=C(Nc1cc2c(cn1)CCCC2)c1cc(F)cc2[n-]nnc21 ZINC000560454349 430045532 /nfs/dbraw/zinc/04/55/32/430045532.db2.gz YWINVRXIPWDLAX-UHFFFAOYSA-N -1 3 311.320 2.623 20 0 DFADHM O=C(Nc1cc2c(cn1)CCCC2)c1cc(F)cc2nn[n-]c21 ZINC000560454349 430045536 /nfs/dbraw/zinc/04/55/36/430045536.db2.gz YWINVRXIPWDLAX-UHFFFAOYSA-N -1 3 311.320 2.623 20 0 DFADHM O=C(Nc1cc2c(cn1)CCCC2)c1cc(F)cc2n[n-]nc21 ZINC000560454349 430045539 /nfs/dbraw/zinc/04/55/39/430045539.db2.gz YWINVRXIPWDLAX-UHFFFAOYSA-N -1 3 311.320 2.623 20 0 DFADHM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)C2)C1 ZINC000573861429 429989387 /nfs/dbraw/zinc/98/93/87/429989387.db2.gz LKYJPUMPKRPRAE-GTNSWQLSSA-N -1 3 301.390 2.712 20 0 DFADHM CCOc1ccccc1-c1cc(=O)n(CCN2CCCCC2)[n-]1 ZINC000634592529 430047719 /nfs/dbraw/zinc/04/77/19/430047719.db2.gz MZIHJKYRBMSBAT-UHFFFAOYSA-N -1 3 315.417 2.508 20 0 DFADHM CC(C)Oc1ccccc1CS(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000573899432 429992730 /nfs/dbraw/zinc/99/27/30/429992730.db2.gz LQYHNVZXZDZKOW-UHFFFAOYSA-N -1 3 320.414 2.660 20 0 DFADHM O=C([N-]OCC1CC1)c1ccc(Br)c(F)c1F ZINC000529423179 430001950 /nfs/dbraw/zinc/00/19/50/430001950.db2.gz FQIZEYBHYNQXJX-UHFFFAOYSA-N -1 3 306.106 2.799 20 0 DFADHM Cc1ccc([C@@]2(C)CCN(c3nc4nncc-4c(O)[n-]3)C2)cc1 ZINC000559451488 430007253 /nfs/dbraw/zinc/00/72/53/430007253.db2.gz OWMRUCXBRAUTEP-KRWDZBQOSA-N -1 3 309.373 2.535 20 0 DFADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCCC(C)(C)C1 ZINC000574091305 430010555 /nfs/dbraw/zinc/01/05/55/430010555.db2.gz FIPVOVVKVBYMSJ-ZDUSSCGKSA-N -1 3 318.417 2.512 20 0 DFADHM CCOc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c(F)c1 ZINC000574171473 430018468 /nfs/dbraw/zinc/01/84/68/430018468.db2.gz NMXMETUEMAJOJG-UHFFFAOYSA-N -1 3 317.320 2.850 20 0 DFADHM CC(C)c1ccc(C(=O)N[C@H]2Cc3ccccc3NC2=O)c([O-])c1 ZINC000529948031 430090387 /nfs/dbraw/zinc/09/03/87/430090387.db2.gz LRBLJZWPDYISMY-INIZCTEOSA-N -1 3 324.380 2.809 20 0 DFADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000529983743 430093784 /nfs/dbraw/zinc/09/37/84/430093784.db2.gz PRLYBUUMPZTZJI-NMSKTSORSA-N -1 3 317.307 2.953 20 0 DFADHM CO[C@H](CS(=O)(=O)[N-]c1cncc(C)c1)c1ccc(F)cc1 ZINC000530152204 430099158 /nfs/dbraw/zinc/09/91/58/430099158.db2.gz BJDLRKKENIEKNO-OAHLLOKOSA-N -1 3 324.377 2.659 20 0 DFADHM CN(C)S(=O)(=O)[N-]c1cc(C(C)(C)C)cc2cccnc21 ZINC000530145229 430099891 /nfs/dbraw/zinc/09/98/91/430099891.db2.gz PKZNRQFCYZPJGN-UHFFFAOYSA-N -1 3 307.419 2.751 20 0 DFADHM C[C@@H]1CN(Cc2cnc(C(=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000530163811 430100748 /nfs/dbraw/zinc/10/07/48/430100748.db2.gz QVROOQRHLBTZSF-CZUORRHYSA-N -1 3 311.385 2.800 20 0 DFADHM C[C@@H](c1ccsc1)N1CCN(Cc2ncccc2[O-])CC1 ZINC000561955263 430102326 /nfs/dbraw/zinc/10/23/26/430102326.db2.gz XRVQYEAOZKFMNX-ZDUSSCGKSA-N -1 3 303.431 2.728 20 0 DFADHM CC[C@H](COC)NCc1ccc(OC)c([O-])c1Br ZINC000562147185 430110919 /nfs/dbraw/zinc/11/09/19/430110919.db2.gz JTDWLOGFNXLSRA-SNVBAGLBSA-N -1 3 318.211 2.678 20 0 DFADHM CCOc1cccc([N-]S(=O)(=O)CCOCC2CCC2)c1 ZINC000634787381 430112637 /nfs/dbraw/zinc/11/26/37/430112637.db2.gz WYPFISGTJNTLQX-UHFFFAOYSA-N -1 3 313.419 2.644 20 0 DFADHM Cc1ccc(-n2[n-]c3c(c2=O)CN(Cc2ccccc2)CC3)nc1 ZINC000634597338 430049484 /nfs/dbraw/zinc/04/94/84/430049484.db2.gz HMMUOZDYCSVAPQ-INIZCTEOSA-N -1 3 320.396 2.615 20 0 DFADHM C[C@H](CCc1ccc2c(c1)OCO2)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634626301 430057604 /nfs/dbraw/zinc/05/76/04/430057604.db2.gz BEXWZLCBSXBTSW-PSTGCABASA-N -1 3 314.385 2.981 20 0 DFADHM O=C(NC[C@H]1CCN1C1CCCCC1)c1c(F)ccc([O-])c1F ZINC000529716478 430059690 /nfs/dbraw/zinc/05/96/90/430059690.db2.gz MBBPCGWXYYMPNX-GFCCVEGCSA-N -1 3 324.371 2.807 20 0 DFADHM Cc1ccc(NC(=O)c2cccc3nn[n-]c32)c2c1NCCC2 ZINC000560690123 430062642 /nfs/dbraw/zinc/06/26/42/430062642.db2.gz JAEFHCHBYUARPW-UHFFFAOYSA-N -1 3 307.357 2.877 20 0 DFADHM Cc1ccc(NC(=O)c2cccc3[n-]nnc32)c2c1NCCC2 ZINC000560690123 430062645 /nfs/dbraw/zinc/06/26/45/430062645.db2.gz JAEFHCHBYUARPW-UHFFFAOYSA-N -1 3 307.357 2.877 20 0 DFADHM Cc1ccc(NC(=O)c2cccc3n[n-]nc32)c2c1NCCC2 ZINC000560690123 430062648 /nfs/dbraw/zinc/06/26/48/430062648.db2.gz JAEFHCHBYUARPW-UHFFFAOYSA-N -1 3 307.357 2.877 20 0 DFADHM CCC(=O)c1cccc([N-]S(=O)(=O)CC2(OC)CCC2)c1 ZINC000634790645 430113775 /nfs/dbraw/zinc/11/37/75/430113775.db2.gz PLMLQXBGOUNWCH-UHFFFAOYSA-N -1 3 311.403 2.590 20 0 DFADHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(OC)c2)cc1 ZINC000634690573 430079778 /nfs/dbraw/zinc/07/97/78/430079778.db2.gz OHCIERHFBFNEJB-KRWDZBQOSA-N -1 3 315.369 2.962 20 0 DFADHM Cc1cc(Br)c2c(c1)CCN(CC1(C(=O)[O-])CC1)C2 ZINC000634692459 430080922 /nfs/dbraw/zinc/08/09/22/430080922.db2.gz 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322.324 2.712 20 0 DFADHM CCc1cc(=NC(=O)c2c([O-])nccc2OC)c2ccccc2[nH]1 ZINC000582462079 430300831 /nfs/dbraw/zinc/30/08/31/430300831.db2.gz LUXAJVYLHLYLCA-UHFFFAOYSA-N -1 3 323.352 2.581 20 0 DFADHM CCN(Cc1ccc(OC)cc1)[C@H](C(=O)[O-])c1cccnc1 ZINC000568060677 430311599 /nfs/dbraw/zinc/31/15/99/430311599.db2.gz KIFVQWVNXCFVQN-INIZCTEOSA-N -1 3 300.358 2.738 20 0 DFADHM COc1ccc([O-])c(C(=O)N[C@@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000582567418 430312287 /nfs/dbraw/zinc/31/22/87/430312287.db2.gz ZVUIHSBBAGBEED-FVMDXXJSSA-N -1 3 317.316 2.792 20 0 DFADHM CCN(CCOc1ccccc1C)C(=O)c1cccc2[n-]nnc21 ZINC000568073405 430312836 /nfs/dbraw/zinc/31/28/36/430312836.db2.gz HTDLFAKPHNRFFY-UHFFFAOYSA-N -1 3 324.384 2.807 20 0 DFADHM CCN(CCOc1ccccc1C)C(=O)c1cccc2nn[n-]c21 ZINC000568073405 430312839 /nfs/dbraw/zinc/31/28/39/430312839.db2.gz HTDLFAKPHNRFFY-UHFFFAOYSA-N -1 3 324.384 2.807 20 0 DFADHM CCN(CCOc1ccccc1C)C(=O)c1cccc2n[n-]nc21 ZINC000568073405 430312841 /nfs/dbraw/zinc/31/28/41/430312841.db2.gz 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Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(C2CC2)n1 ZINC000568477503 430361791 /nfs/dbraw/zinc/36/17/91/430361791.db2.gz BTOHFTWFDJMLSE-UHFFFAOYSA-N -1 3 311.267 2.657 20 0 DFADHM CCC(C)(C)[C@H](O)C(=O)Nc1cc(Br)ccc1[O-] ZINC000635740804 430362549 /nfs/dbraw/zinc/36/25/49/430362549.db2.gz WSBDZSHUMRMRBF-LLVKDONJSA-N -1 3 316.195 2.890 20 0 DFADHM CCC(C)(C)[C@@H](O)C(=O)Nc1cc(Br)ccc1[O-] ZINC000635740809 430362865 /nfs/dbraw/zinc/36/28/65/430362865.db2.gz WSBDZSHUMRMRBF-NSHDSACASA-N -1 3 316.195 2.890 20 0 DFADHM CN(CCc1ccccc1)CC(=O)N1CCCc2cccc([O-])c21 ZINC000635755535 430366018 /nfs/dbraw/zinc/36/60/18/430366018.db2.gz YRMKJACTOOJSKK-UHFFFAOYSA-N -1 3 324.424 2.846 20 0 DFADHM O=C([O-])[C@H](c1cccnc1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000568664727 430381745 /nfs/dbraw/zinc/38/17/45/430381745.db2.gz RKPPCEQTYIEPFY-PKOBYXMFSA-N -1 3 324.380 2.677 20 0 DFADHM CC(C)([N-]S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F)c1nccs1 ZINC000641328867 430383237 /nfs/dbraw/zinc/38/32/37/430383237.db2.gz DFWUKWWDPHOBLV-MRVPVSSYSA-N -1 3 324.418 2.589 20 0 DFADHM CC(C)([N-]S(=O)(=O)C[C@H]1C(C)(C)C1(F)F)c1nccs1 ZINC000641328868 430385243 /nfs/dbraw/zinc/38/52/43/430385243.db2.gz DFWUKWWDPHOBLV-QMMMGPOBSA-N -1 3 324.418 2.589 20 0 DFADHM C[C@H]([N-]S(=O)(=O)CC1(C)CCC1)c1nc(C(C)(C)C)no1 ZINC000641362695 430389183 /nfs/dbraw/zinc/38/91/83/430389183.db2.gz UFGGTWFEQYBMLY-JTQLQIEISA-N -1 3 315.439 2.538 20 0 DFADHM Cn1cc(C(C)(C)NC(=O)c2ccc3c(c2[O-])CCCC3)cn1 ZINC000547414008 430390616 /nfs/dbraw/zinc/39/06/16/430390616.db2.gz CIUZGMGELQYXRF-UHFFFAOYSA-N -1 3 313.401 2.670 20 0 DFADHM CC(C)c1ccccc1NC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000583394178 430391067 /nfs/dbraw/zinc/39/10/67/430391067.db2.gz OCEPKUKUEFXUFH-UHFFFAOYSA-N -1 3 312.373 2.896 20 0 DFADHM COC(=O)c1cc2cc(CN3CCC(C(=O)[O-])CC3)ccc2o1 ZINC000568766626 430391546 /nfs/dbraw/zinc/39/15/46/430391546.db2.gz CSZSARAWJGYNEF-UHFFFAOYSA-N -1 3 317.341 2.516 20 0 DFADHM CCC(=O)c1ccc([O-])c(NC(=O)C2CCN(C3CC3)CC2)c1 ZINC000583415116 430391542 /nfs/dbraw/zinc/39/15/42/430391542.db2.gz PKFRBRBUCXLCIX-UHFFFAOYSA-N -1 3 316.401 2.798 20 0 DFADHM CC[C@@H](Sc1n[n-]c(CO)n1)C(=O)c1ccc(Cl)cc1 ZINC000583478420 430397256 /nfs/dbraw/zinc/39/72/56/430397256.db2.gz ZWXMEOFMZUNDAS-SNVBAGLBSA-N -1 3 311.794 2.704 20 0 DFADHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1ncccc1[O-] ZINC000568841971 430397792 /nfs/dbraw/zinc/39/77/92/430397792.db2.gz XPKVAVOMDBJUQA-HNNXBMFYSA-N -1 3 312.369 2.693 20 0 DFADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)CO2 ZINC000547479619 430398174 /nfs/dbraw/zinc/39/81/74/430398174.db2.gz RFXRYHFJWAQXPK-AWEZNQCLSA-N -1 3 321.373 2.855 20 0 DFADHM CC[C@](C)([N-]S(=O)(=O)c1ccccc1OC)C(F)(F)F ZINC000547496283 430400203 /nfs/dbraw/zinc/40/02/03/430400203.db2.gz GZRYDXDEOZFFIN-NSHDSACASA-N -1 3 311.325 2.705 20 0 DFADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c(F)cc1F ZINC000568876689 430402306 /nfs/dbraw/zinc/40/23/06/430402306.db2.gz COXGLCRZEVTTNS-NXEZZACHSA-N -1 3 307.337 2.832 20 0 DFADHM CC(C)c1ncc([N-]C(=O)c2ocnc2C(F)(F)F)cn1 ZINC000635885047 430403164 /nfs/dbraw/zinc/40/31/64/430403164.db2.gz ROAADDFMMIMLLJ-UHFFFAOYSA-N -1 3 300.240 2.859 20 0 DFADHM CCc1cccc(C(=O)NC2(C(=O)Nc3ccccc3)CC2)c1[O-] ZINC000547661490 430409179 /nfs/dbraw/zinc/40/91/79/430409179.db2.gz LDZWMLCNNGPIPL-UHFFFAOYSA-N -1 3 324.380 2.856 20 0 DFADHM Cc1cc(C2(C(=O)NCc3ccc([O-])c4ncccc34)CC2)on1 ZINC000636001128 430435494 /nfs/dbraw/zinc/43/54/94/430435494.db2.gz NTEHYZADSBIEMY-UHFFFAOYSA-N -1 3 323.352 2.585 20 0 DFADHM COc1cccc(C(=O)Nc2cccc(C(C)=O)c2[O-])c1OC ZINC000569271067 430438450 /nfs/dbraw/zinc/43/84/50/430438450.db2.gz XBEONYOJKXMFPK-UHFFFAOYSA-N -1 3 315.325 2.864 20 0 DFADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1F ZINC000583880533 430439759 /nfs/dbraw/zinc/43/97/59/430439759.db2.gz BUJCRNXRCIOECV-MRVPVSSYSA-N -1 3 319.311 2.829 20 0 DFADHM COCC1(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)CC1 ZINC000641677729 430440165 /nfs/dbraw/zinc/44/01/65/430440165.db2.gz DOMSSNCKARQFJY-UHFFFAOYSA-N -1 3 309.309 2.626 20 0 DFADHM COCC1(S(=O)(=O)[N-]c2cc(C)cc(C(F)(F)F)c2)CC1 ZINC000641686461 430443557 /nfs/dbraw/zinc/44/35/57/430443557.db2.gz SZFYNVDMQFUSEK-UHFFFAOYSA-N -1 3 323.336 2.935 20 0 DFADHM Cc1nc(CCN(C)Cc2ccc(OCC(=O)[O-])cc2)cs1 ZINC000583939745 430444868 /nfs/dbraw/zinc/44/48/68/430444868.db2.gz ACZIMBNLIBIERS-UHFFFAOYSA-N -1 3 320.414 2.589 20 0 DFADHM O=S(=O)(CCC(F)(F)F)[N-]Cc1nsc2ccccc21 ZINC000641700630 430445441 /nfs/dbraw/zinc/44/54/41/430445441.db2.gz HKLCEWUBNNEVTK-UHFFFAOYSA-N -1 3 324.349 2.668 20 0 DFADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-][C@@H](C)C(F)F)c1 ZINC000641706351 430447383 /nfs/dbraw/zinc/44/73/83/430447383.db2.gz SKKAFQVOLUEMGU-ZJUUUORDSA-N -1 3 307.362 2.796 20 0 DFADHM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-][C@H](C)C(F)F ZINC000641704566 430447518 /nfs/dbraw/zinc/44/75/18/430447518.db2.gz FMTFCWCBZBQYFN-SECBINFHSA-N -1 3 321.389 2.925 20 0 DFADHM Cc1ncc(S(=O)(=O)[N-]C23CC(c4ccccc4)(C2)C3)s1 ZINC000641707117 430447550 /nfs/dbraw/zinc/44/75/50/430447550.db2.gz HVQHXUJFPSYFPY-UHFFFAOYSA-N -1 3 320.439 2.604 20 0 DFADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@@H]([C@H](C)O)C2)c1C ZINC000569366818 430448001 /nfs/dbraw/zinc/44/80/01/430448001.db2.gz LYBJQRSPQWTPKR-QWHCGFSZSA-N -1 3 314.385 2.757 20 0 DFADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC[C@H](CO)C2)c1C ZINC000583996925 430449447 /nfs/dbraw/zinc/44/94/47/430449447.db2.gz JWVNHXUXEYZIQA-ZDUSSCGKSA-N -1 3 314.385 2.759 20 0 DFADHM COC(=O)c1nsc([N-]C(=O)c2cc3ccccc3s2)n1 ZINC000569422824 430452332 /nfs/dbraw/zinc/45/23/32/430452332.db2.gz UMLZGNKBPVUQGT-UHFFFAOYSA-N -1 3 319.367 2.792 20 0 DFADHM Cc1n[nH]cc1CN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000636068664 430455034 /nfs/dbraw/zinc/45/50/34/430455034.db2.gz MEJMGTVTTUBKDT-UHFFFAOYSA-N -1 3 305.353 2.544 20 0 DFADHM COc1cccnc1NC(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000548185349 430457053 /nfs/dbraw/zinc/45/70/53/430457053.db2.gz DNMNIIOOYSVEPS-UHFFFAOYSA-N -1 3 323.352 2.801 20 0 DFADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@H](Oc2ccccc2)C1 ZINC000584118632 430461354 /nfs/dbraw/zinc/46/13/54/430461354.db2.gz FDSVTTGMIRQLNB-HNNXBMFYSA-N -1 3 301.342 2.940 20 0 DFADHM Cc1ccc2[nH]c(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)cc2c1 ZINC000636113231 430466281 /nfs/dbraw/zinc/46/62/81/430466281.db2.gz GRAACERVDHSYCS-UHFFFAOYSA-N -1 3 324.384 2.945 20 0 DFADHM O=c1cc(CS(=O)(=O)c2ccc(Cl)cc2)nc(C2CC2)[n-]1 ZINC000584219342 430470566 /nfs/dbraw/zinc/47/05/66/430470566.db2.gz LKPCBZGKYPAXLA-UHFFFAOYSA-N -1 3 324.789 2.687 20 0 DFADHM [O-]c1cccnc1CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000569650174 430473047 /nfs/dbraw/zinc/47/30/47/430473047.db2.gz SZDGCMLIIFSFCG-QGZVFWFLSA-N -1 3 318.804 2.932 20 0 DFADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641793837 430474732 /nfs/dbraw/zinc/47/47/32/430474732.db2.gz IGVDGLIFQLICTE-KOLCDFICSA-N -1 3 313.300 2.551 20 0 DFADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cnccn1 ZINC000636149918 430475104 /nfs/dbraw/zinc/47/51/04/430475104.db2.gz LAABIFZKNIREHJ-NSHDSACASA-N -1 3 303.337 2.521 20 0 DFADHM CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(Cl)ccc1[O-] ZINC000548454764 430477328 /nfs/dbraw/zinc/47/73/28/430477328.db2.gz ZVVOOROUSBAPCM-ZDUSSCGKSA-N -1 3 310.825 2.992 20 0 DFADHM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])o1 ZINC000583698696 430421487 /nfs/dbraw/zinc/42/14/87/430421487.db2.gz LUWKVWWLGVTVTE-YHWZYXNKSA-N -1 3 315.373 2.622 20 0 DFADHM COCc1nc(C(=O)[N-]c2cc(C(=O)OC)ccc2Cl)co1 ZINC000548521197 430484048 /nfs/dbraw/zinc/48/40/48/430484048.db2.gz GNPZXXJVCHTCGW-UHFFFAOYSA-N -1 3 324.720 2.513 20 0 DFADHM CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1C1CC1 ZINC000569789904 430485955 /nfs/dbraw/zinc/48/59/55/430485955.db2.gz QBODPFNIMOQALU-UHFFFAOYSA-N -1 3 317.418 2.841 20 0 DFADHM Cc1cc([N-]C(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)on1 ZINC000641995851 430494401 /nfs/dbraw/zinc/49/44/01/430494401.db2.gz ZPNTWMDKYCCQFR-MRVPVSSYSA-N -1 3 318.304 2.830 20 0 DFADHM COc1cccc([C@H]2CN([C@H](CC(C)C)C(=O)[O-])CCO2)c1 ZINC000569935027 430500105 /nfs/dbraw/zinc/50/01/05/430500105.db2.gz VYBHUORELMKHCM-HZPDHXFCSA-N -1 3 307.390 2.568 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000642162244 430501555 /nfs/dbraw/zinc/50/15/55/430501555.db2.gz PMIUHNPAWKREPK-UHFFFAOYSA-N -1 3 314.750 2.557 20 0 DFADHM CCSc1ccccc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636283973 430502342 /nfs/dbraw/zinc/50/23/42/430502342.db2.gz RIUFPWGMEAWXMA-UHFFFAOYSA-N -1 3 315.398 2.759 20 0 DFADHM Cc1ccc(/C=C\CC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)cc1 ZINC000636283446 430502902 /nfs/dbraw/zinc/50/29/02/430502902.db2.gz BVKLWBZBXZXZMN-ARJAWSKDSA-N -1 3 309.369 2.745 20 0 DFADHM CCCc1cc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)sc1C ZINC000636281651 430502916 /nfs/dbraw/zinc/50/29/16/430502916.db2.gz CRMLSZOCNBYFMW-UHFFFAOYSA-N -1 3 317.414 2.969 20 0 DFADHM COc1ccc(CCCN(C)Cc2ccc(C(=O)[O-])cn2)cc1 ZINC000569981867 430503146 /nfs/dbraw/zinc/50/31/46/430503146.db2.gz VMTXKVNTWMXENS-UHFFFAOYSA-N -1 3 314.385 2.853 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H]1C[C@H]1C1CCCCC1)C2 ZINC000636283938 430503214 /nfs/dbraw/zinc/50/32/14/430503214.db2.gz KQTZKVAFHGHOBM-STQMWFEESA-N -1 3 301.390 2.549 20 0 DFADHM Cc1ccc2ncc(CN3CCSC[C@H]3C(=O)[O-])cc2c1 ZINC000569989735 430503474 /nfs/dbraw/zinc/50/34/74/430503474.db2.gz SKDQBJXGWLWVIN-HNNXBMFYSA-N -1 3 302.399 2.545 20 0 DFADHM CCc1ccc2occ(C(=O)N3Cc4nc(C)[n-]c(=O)c4C3)c2c1 ZINC000636287045 430503929 /nfs/dbraw/zinc/50/39/29/430503929.db2.gz SZUGUVBFNPUOGG-UHFFFAOYSA-N -1 3 323.352 2.955 20 0 DFADHM Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c([O-])c1 ZINC000642200040 430504627 /nfs/dbraw/zinc/50/46/27/430504627.db2.gz CPKYGTKSGGTASW-CYBMUJFWSA-N -1 3 316.401 2.820 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1CC3(C1)CCCCC3)C2 ZINC000636294185 430505617 /nfs/dbraw/zinc/50/56/17/430505617.db2.gz LUFFAUFCMRWOOZ-UHFFFAOYSA-N -1 3 301.390 2.693 20 0 DFADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1CCC(C3CC3)CC1)C2 ZINC000636294492 430507263 /nfs/dbraw/zinc/50/72/63/430507263.db2.gz WLOWBBKYZCXIBP-UHFFFAOYSA-N -1 3 301.390 2.549 20 0 DFADHM Cc1c(F)cccc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636322143 430512990 /nfs/dbraw/zinc/51/29/90/430512990.db2.gz OOVGBHMZMNLJJZ-UHFFFAOYSA-N -1 3 315.348 2.827 20 0 DFADHM COc1ccc(F)cc1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000636350238 430520254 /nfs/dbraw/zinc/52/02/54/430520254.db2.gz FFXHLQJGMLHIFL-NSHDSACASA-N -1 3 323.349 2.790 20 0 DFADHM Cc1cc(OCC(=O)NC2CCCCCC2)cc2occ([O-])c21 ZINC000642610146 430521426 /nfs/dbraw/zinc/52/14/26/430521426.db2.gz XJTIJLWQXJERQS-UHFFFAOYSA-N -1 3 317.385 2.788 20 0 DFADHM CC(=O)c1cc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)cs1 ZINC000636359580 430523122 /nfs/dbraw/zinc/52/31/22/430523122.db2.gz ZSVVXTSWFZHZEH-VIFPVBQESA-N -1 3 323.399 2.906 20 0 DFADHM Cc1cccc([O-])c1C(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000636359135 430523433 /nfs/dbraw/zinc/52/34/33/430523433.db2.gz LYAPKSYFBKPOIK-JTQLQIEISA-N -1 3 305.359 2.656 20 0 DFADHM CSc1cccnc1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000636360317 430523838 /nfs/dbraw/zinc/52/38/38/430523838.db2.gz URNICORFLHPAON-MRVPVSSYSA-N -1 3 322.415 2.759 20 0 DFADHM COc1cccc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c1F ZINC000636356412 430523883 /nfs/dbraw/zinc/52/38/83/430523883.db2.gz WXXYRBFIIQLLPK-SNVBAGLBSA-N -1 3 323.349 2.790 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)c1cc(Cl)ccc1Cl ZINC000549693494 430530555 /nfs/dbraw/zinc/53/05/55/430530555.db2.gz OAMYLSJRJUSUSA-UHFFFAOYSA-N -1 3 314.128 2.755 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)c1cc(Cl)ccc1Cl ZINC000549693494 430530559 /nfs/dbraw/zinc/53/05/59/430530559.db2.gz OAMYLSJRJUSUSA-UHFFFAOYSA-N -1 3 314.128 2.755 20 0 DFADHM Cc1nc2ccc(S(=O)(=O)[N-]CC(C)(F)F)cc2s1 ZINC000549914448 430533905 /nfs/dbraw/zinc/53/39/05/430533905.db2.gz BVUMXYNOLJMNBS-UHFFFAOYSA-N -1 3 306.359 2.538 20 0 DFADHM O=C([O-])c1cnc2ccccc2c1N1CCC(n2ccnc2)CC1 ZINC000570520447 430551348 /nfs/dbraw/zinc/55/13/48/430551348.db2.gz YQYHJTKKTOVDIF-UHFFFAOYSA-N -1 3 322.368 2.971 20 0 DFADHM O=S(=O)([N-]Cc1ccc(C2CC2)cc1F)c1ccccn1 ZINC000570571092 430554720 /nfs/dbraw/zinc/55/47/20/430554720.db2.gz JBWLTMQZTJHTLX-UHFFFAOYSA-N -1 3 306.362 2.577 20 0 DFADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(-c2coc(C)n2)cc1)OC ZINC000643268995 430572434 /nfs/dbraw/zinc/57/24/34/430572434.db2.gz HJBCALHIMHVFMH-CQSZACIVSA-N -1 3 324.402 2.817 20 0 DFADHM Cc1c(CN(C)c2c(C(=O)[O-])cnc3ccc(C)cc32)cnn1C ZINC000570805370 430578518 /nfs/dbraw/zinc/57/85/18/430578518.db2.gz PCIUCVLJLJGJAQ-UHFFFAOYSA-N -1 3 324.384 2.920 20 0 DFADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000615134398 430579687 /nfs/dbraw/zinc/57/96/87/430579687.db2.gz YNXFWTDFWAVWIW-HTQZYQBOSA-N -1 3 313.279 3.186 20 0 DFADHM O=C(Cc1cncc([O-])c1)N1CCC(Cc2ccccc2)CC1 ZINC000552844490 430601800 /nfs/dbraw/zinc/60/18/00/430601800.db2.gz YVEOUBVLOPENDR-UHFFFAOYSA-N -1 3 310.397 2.811 20 0 DFADHM CN(CCN1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC000570855542 430582683 /nfs/dbraw/zinc/58/26/83/430582683.db2.gz WAXFFMOJBOIEKB-LJQANCHMSA-N -1 3 324.424 2.630 20 0 DFADHM O=S(=O)([N-]CCCc1cccs1)c1cc(F)cc(F)c1 ZINC000552119222 430584630 /nfs/dbraw/zinc/58/46/30/430584630.db2.gz RLIGDTPHRQTQPV-UHFFFAOYSA-N -1 3 317.382 2.937 20 0 DFADHM CO[C@@H]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@@H]1C ZINC000570943206 430591258 /nfs/dbraw/zinc/59/12/58/430591258.db2.gz QWGOQIXNPAYKKN-BHYNMZESSA-N -1 3 315.772 2.962 20 0 DFADHM O=C(c1csc(=O)[n-]1)N(Cc1ccccc1Cl)C1COC1 ZINC000570941583 430591884 /nfs/dbraw/zinc/59/18/84/430591884.db2.gz OXWALXHMTIZFRK-UHFFFAOYSA-N -1 3 324.789 2.543 20 0 DFADHM Cc1ccc([O-])c(CN2CC[C@]3(C2)CC(=O)c2ccccc2O3)n1 ZINC000639267292 430593626 /nfs/dbraw/zinc/59/36/26/430593626.db2.gz PZSKGBNUKGONFT-LJQANCHMSA-N -1 3 324.380 2.706 20 0 DFADHM CC[C@H]1CN2CCCC[C@H]2CN1Cc1cccc(C(=O)[O-])c1 ZINC000643434811 430599726 /nfs/dbraw/zinc/59/97/26/430599726.db2.gz LIHOVPHXJSSJFM-IRXDYDNUSA-N -1 3 302.418 2.834 20 0 DFADHM CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1cccc(C(=O)[O-])c1 ZINC000643434810 430600089 /nfs/dbraw/zinc/60/00/89/430600089.db2.gz LIHOVPHXJSSJFM-IAGOWNOFSA-N -1 3 302.418 2.834 20 0 DFADHM 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Cc1oc(CN(C)C[C@H](O)[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000572250276 430678118 /nfs/dbraw/zinc/67/81/18/430678118.db2.gz MFTQBLLCPTWYJZ-PXAZEXFGSA-N -1 3 317.385 2.883 20 0 DFADHM Cc1ccc(CCN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000572250034 430678734 /nfs/dbraw/zinc/67/87/34/430678734.db2.gz CWZVFEGUAMFXBR-AWEZNQCLSA-N -1 3 301.308 2.877 20 0 DFADHM CCC1(CC)[C@H](N(C)Cc2ccc(C(=O)[O-])cn2)C[C@@H]1OC ZINC000572250302 430678784 /nfs/dbraw/zinc/67/87/84/430678784.db2.gz NVDNTCJFALGZIM-CABCVRRESA-N -1 3 306.406 2.805 20 0 DFADHM O=S(=O)(CCC1CCCC1)[N-]c1cnn(-c2ccccn2)c1 ZINC000556265360 430682190 /nfs/dbraw/zinc/68/21/90/430682190.db2.gz WNNBBSAJTSDSSI-UHFFFAOYSA-N -1 3 320.418 2.589 20 0 DFADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000332605975 278088342 /nfs/dbraw/zinc/08/83/42/278088342.db2.gz SKSFIDGLIWUCEL-PSASIEDQSA-N -1 3 312.295 2.761 20 0 DFADHM O=C(c1cccc([O-])c1)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000572376458 430684916 /nfs/dbraw/zinc/68/49/16/430684916.db2.gz 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/nfs/dbraw/zinc/69/78/21/430697821.db2.gz KLKWZHVAQCFDBC-SJORKVTESA-N -1 3 305.418 2.992 20 0 DFADHM CC1(C)C[C@@H](N=c2ncnc3[nH][n-]cc2-3)c2ccc(F)cc2O1 ZINC000360769193 278360611 /nfs/dbraw/zinc/36/06/11/278360611.db2.gz ADJYNMDYOLSJOE-GFCCVEGCSA-N -1 3 313.336 2.580 20 0 DFADHM C[C@@H](C(=O)NCC1CCCCC1)N1CCC[C@@H](CC(=O)[O-])CC1 ZINC000648422680 430782559 /nfs/dbraw/zinc/78/25/59/430782559.db2.gz YQJPTYVOIKKXLE-LSDHHAIUSA-N -1 3 324.465 2.648 20 0 DFADHM CC(C)(CNCc1cccc([O-])c1Cl)[C@@]1(O)CCCOC1 ZINC000657765735 430730540 /nfs/dbraw/zinc/73/05/40/430730540.db2.gz NIXAVWKHGVICML-MRXNPFEDSA-N -1 3 313.825 2.703 20 0 DFADHM CC[C@H](OCCn1cc(Cl)c(=O)[n-]c1=O)c1ccccc1 ZINC000651190927 430733434 /nfs/dbraw/zinc/73/34/34/430733434.db2.gz FEXVVTOGLZFKLN-ZDUSSCGKSA-N -1 3 308.765 2.770 20 0 DFADHM Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](CC(=O)[O-])CC2)c1 ZINC000648421934 430783518 /nfs/dbraw/zinc/78/35/18/430783518.db2.gz CTUACOUJQXTBIN-HUUCEWRRSA-N -1 3 318.417 2.899 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CC(C)(C)[C@@H]2c2cccnc2)on1 ZINC000664827439 430758281 /nfs/dbraw/zinc/75/82/81/430758281.db2.gz LEPBSAGAHRCGCV-WFASDCNBSA-N -1 3 314.389 2.788 20 0 DFADHM CCOc1ccc(C[C@@H](C)CNC(=O)c2csc(=O)[n-]2)cc1 ZINC000654619769 430761559 /nfs/dbraw/zinc/76/15/59/430761559.db2.gz XSVSUABQJOLCRO-LLVKDONJSA-N -1 3 320.414 2.856 20 0 DFADHM CCCn1c(CN[C@@H]2CC[C@H](C(=O)[O-])C2)nc2ccccc21 ZINC000644596911 430764101 /nfs/dbraw/zinc/76/41/01/430764101.db2.gz LFQPFWZWPXAZSN-QWHCGFSZSA-N -1 3 301.390 2.789 20 0 DFADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccn(-c2cccc(F)c2)n1 ZINC000648415005 430779420 /nfs/dbraw/zinc/77/94/20/430779420.db2.gz ZIJKPJBRQDVHNO-LBPRGKRZSA-N -1 3 305.353 2.697 20 0 DFADHM CCc1cc([N-]C(=O)c2oc(COC(C)(C)C)nc2C)no1 ZINC000651376737 430779637 /nfs/dbraw/zinc/77/96/37/430779637.db2.gz POIYBBVLDPHQKW-UHFFFAOYSA-N -1 3 307.350 2.523 20 0 DFADHM Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1cccc([O-])c1F ZINC000651602258 430828949 /nfs/dbraw/zinc/82/89/49/430828949.db2.gz 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ZINC000660021833 431236047 /nfs/dbraw/zinc/23/60/47/431236047.db2.gz PWQHQGCFRRDWNF-JTQLQIEISA-N -1 3 307.337 2.704 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000653038007 431237753 /nfs/dbraw/zinc/23/77/53/431237753.db2.gz UYCVVWRWKGHNTG-UHFFFAOYSA-N -1 3 319.254 2.604 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)C2CCC(F)CC2)s1 ZINC000660035581 431241565 /nfs/dbraw/zinc/24/15/65/431241565.db2.gz XAVDLXADDAPRPA-WHXUTIOJSA-N -1 3 320.455 2.901 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)C1CCC(F)CC1 ZINC000660034148 431242214 /nfs/dbraw/zinc/24/22/14/431242214.db2.gz JHCHTHLXBABBOG-KPPDAEKUSA-N -1 3 321.439 2.952 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)C1CCC(F)CC1 ZINC000660033260 431242389 /nfs/dbraw/zinc/24/23/89/431242389.db2.gz AOKLPHVBSNOABZ-BMQDGWLCSA-N -1 3 320.817 2.930 20 0 DFADHM CC([N-]S(=O)(=O)c1ccc(F)cc1F)(C1CC1)C1CC1 ZINC000660043287 431246013 /nfs/dbraw/zinc/24/60/13/431246013.db2.gz HNQRRLKYTKSVIK-UHFFFAOYSA-N -1 3 301.358 2.822 20 0 DFADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC000660045023 431247800 /nfs/dbraw/zinc/24/78/00/431247800.db2.gz TZTXZRZKRVJGOW-LLVKDONJSA-N -1 3 322.352 2.813 20 0 DFADHM COc1ccc(F)cc1S(=O)(=O)[N-]C(C)(C1CC1)C1CC1 ZINC000660044066 431248451 /nfs/dbraw/zinc/24/84/51/431248451.db2.gz ZZRGLKYRIXLJRF-UHFFFAOYSA-N -1 3 313.394 2.691 20 0 DFADHM COc1ccc(S(=O)(=O)[N-]C2(CC(C)C)CC2)c(F)c1 ZINC000660064578 431255867 /nfs/dbraw/zinc/25/58/67/431255867.db2.gz RUMVSUNGWYMXIW-UHFFFAOYSA-N -1 3 301.383 2.691 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)O)c1 ZINC000660158684 431293604 /nfs/dbraw/zinc/29/36/04/431293604.db2.gz OXFLSZBQVFVNEW-BLLLJJGKSA-N -1 3 323.389 2.535 20 0 DFADHM Cc1cccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)O)c1F ZINC000660164515 431297577 /nfs/dbraw/zinc/29/75/77/431297577.db2.gz YZLCWLRXMYKXDW-MLGOLLRUSA-N -1 3 323.389 2.535 20 0 DFADHM O=C([O-])c1cccc(OCCN2CCC[C@H](OC3CCC3)C2)c1 ZINC000656191199 431300152 /nfs/dbraw/zinc/30/01/52/431300152.db2.gz FYJUGQFYLABOMR-KRWDZBQOSA-N -1 3 319.401 2.797 20 0 DFADHM O=C([O-])c1cccc(OCCN2CCC[C@@H](OC3CCC3)C2)c1 ZINC000656191200 431300643 /nfs/dbraw/zinc/30/06/43/431300643.db2.gz FYJUGQFYLABOMR-QGZVFWFLSA-N -1 3 319.401 2.797 20 0 DFADHM COc1cccc(C(=O)N2CCC[C@H](c3ccccn3)C2)c1[O-] ZINC000646438569 431310076 /nfs/dbraw/zinc/31/00/76/431310076.db2.gz PYRMZMGNFFMXPX-ZDUSSCGKSA-N -1 3 312.369 2.816 20 0 DFADHM Cc1ccc2nc(CN[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)cn2c1 ZINC000656101544 431261041 /nfs/dbraw/zinc/26/10/41/431261041.db2.gz YOXYCBAFVFTXST-AEGPPILISA-N -1 3 315.417 2.868 20 0 DFADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1Cc2c[nH]nc2C1 ZINC000646346192 431275049 /nfs/dbraw/zinc/27/50/49/431275049.db2.gz MGVGXBJRDMCUCX-UHFFFAOYSA-N -1 3 319.364 2.862 20 0 DFADHM O=C(NCCc1ccc(Cl)s1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646683923 431367676 /nfs/dbraw/zinc/36/76/76/431367676.db2.gz KAPRJJBQVYCBPT-UHFFFAOYSA-N -1 3 321.789 2.956 20 0 DFADHM COc1ccccc1[C@H](C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646571838 431341965 /nfs/dbraw/zinc/34/19/65/431341965.db2.gz ZQCQUTNFCUKQFU-JTQLQIEISA-N -1 3 311.341 2.768 20 0 DFADHM O=C(NCCc1ccccn1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646597909 431351875 /nfs/dbraw/zinc/35/18/75/431351875.db2.gz CMYSUWBKTUHNHX-UHFFFAOYSA-N -1 3 310.275 2.779 20 0 DFADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000646620623 431354352 /nfs/dbraw/zinc/35/43/52/431354352.db2.gz ULHRCPBKTYTZDG-WDEREUQCSA-N -1 3 302.296 2.567 20 0 DFADHM O=C(Cc1cncc([O-])c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000646620621 431354626 /nfs/dbraw/zinc/35/46/26/431354626.db2.gz ULHRCPBKTYTZDG-MNOVXSKESA-N -1 3 302.296 2.567 20 0 DFADHM CC(C)c1cc(C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c([O-])c(C(C)C)c1 ZINC000646651679 431359070 /nfs/dbraw/zinc/35/90/70/431359070.db2.gz CSPAJVTWTJELGW-FVQHAEBGSA-N -1 3 317.429 2.949 20 0 DFADHM CCOc1cc(CN2CC(n3cccn3)C2)cc(Cl)c1[O-] ZINC000656396814 431375592 /nfs/dbraw/zinc/37/55/92/431375592.db2.gz XEAPYBGNVJAHDT-UHFFFAOYSA-N -1 3 307.781 2.698 20 0 DFADHM C[C@H](Cc1ccccc1F)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646735228 431380827 /nfs/dbraw/zinc/38/08/27/431380827.db2.gz UZXRNMQFPPHWEO-SNVBAGLBSA-N -1 3 313.332 2.769 20 0 DFADHM Cc1csc(S(=O)(=O)[N-][C@H]2CCc3cc(O)ccc3C2)c1 ZINC000649958233 431383310 /nfs/dbraw/zinc/38/33/10/431383310.db2.gz POPPAWVTMUVHTN-ZDUSSCGKSA-N -1 3 323.439 2.598 20 0 DFADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@@H]2C[C@@H]21 ZINC000646745259 431383593 /nfs/dbraw/zinc/38/35/93/431383593.db2.gz ZOJZZOFCYQUACU-PKOBYXMFSA-N -1 3 323.392 2.791 20 0 DFADHM CC(C)[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)N1CCCCC1 ZINC000263123445 279765665 /nfs/dbraw/zinc/76/56/65/279765665.db2.gz KWAUXQOTXZJZTE-WBVHZDCISA-N -1 3 324.465 2.600 20 0 DFADHM O=C(c1cn(-c2cc(Br)ccc2[O-])nn1)C1CCC1 ZINC000656456380 431393051 /nfs/dbraw/zinc/39/30/51/431393051.db2.gz ANTBAURJKLWROD-UHFFFAOYSA-N -1 3 322.162 2.718 20 0 DFADHM O=c1cc(-c2c(F)cccc2Cl)[n-]n1CCN1CCCCC1 ZINC000656471836 431400837 /nfs/dbraw/zinc/40/08/37/431400837.db2.gz HZQPPNFMZDWPSI-UHFFFAOYSA-N -1 3 323.799 2.901 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)COc2ccc(CO)cc2)c1[O-] ZINC000646823024 431401176 /nfs/dbraw/zinc/40/11/76/431401176.db2.gz PCPAPEGPTOPJMB-UHFFFAOYSA-N -1 3 321.760 2.864 20 0 DFADHM Cc1nn(-c2ccccc2Cl)cc1CNC1(C(=O)[O-])CC1 ZINC000653502999 431405301 /nfs/dbraw/zinc/40/53/01/431405301.db2.gz VSFMPKGGPLATKL-UHFFFAOYSA-N -1 3 305.765 2.541 20 0 DFADHM C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1cnn(C)c1 ZINC000646855586 431405557 /nfs/dbraw/zinc/40/55/57/431405557.db2.gz QAFFNPSMPWNJRF-QMMMGPOBSA-N -1 3 313.279 2.636 20 0 DFADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000666921608 431407190 /nfs/dbraw/zinc/40/71/90/431407190.db2.gz ZQMFJFRLGZPCQZ-OCCSQVGLSA-N -1 3 302.374 2.512 20 0 DFADHM O=C([O-])[C@H]1CCCCCC[C@@H]1NCc1cc2n(n1)CCCC2 ZINC000653503534 431407182 /nfs/dbraw/zinc/40/71/82/431407182.db2.gz KHZVPIFYBJJNGQ-HOTGVXAUSA-N -1 3 305.422 2.733 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1[O-] ZINC000663406699 431408805 /nfs/dbraw/zinc/40/88/05/431408805.db2.gz HXSFQCHNGBOUNP-STQMWFEESA-N -1 3 318.417 2.588 20 0 DFADHM COc1cccc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)c1Cl ZINC000660464782 431444228 /nfs/dbraw/zinc/44/42/28/431444228.db2.gz UBKJBXXZYWBBLE-NSHDSACASA-N -1 3 323.780 2.817 20 0 DFADHM Cc1ccc(CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c(Cl)c1 ZINC000653660522 431480644 /nfs/dbraw/zinc/48/06/44/431480644.db2.gz DDSACFJZHCNLJT-CYBMUJFWSA-N -1 3 305.813 2.527 20 0 DFADHM CCC1CCN(S(=O)(=O)[N-]c2cc(C)n(C(C)C)n2)CC1 ZINC000656631737 431453822 /nfs/dbraw/zinc/45/38/22/431453822.db2.gz OJAYNXWFQUZIQI-UHFFFAOYSA-N -1 3 314.455 2.551 20 0 DFADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C)C1CC1 ZINC000647122778 431469647 /nfs/dbraw/zinc/46/96/47/431469647.db2.gz XEAKRXDLYOTNER-CYBMUJFWSA-N -1 3 303.811 2.815 20 0 DFADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)c(Cl)c1)C(C)C ZINC000647122698 431469726 /nfs/dbraw/zinc/46/97/26/431469726.db2.gz SZTXVCMWYBKUTM-GFCCVEGCSA-N -1 3 309.790 2.892 20 0 DFADHM CO[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646950075 431429619 /nfs/dbraw/zinc/42/96/19/431429619.db2.gz BPBWNFYIFIIDLR-GFCCVEGCSA-N -1 3 303.280 2.662 20 0 DFADHM CCOc1ccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])c(C)c1 ZINC000656566667 431430671 /nfs/dbraw/zinc/43/06/71/431430671.db2.gz RERLASNSZLTIGQ-HNNXBMFYSA-N -1 3 309.406 2.752 20 0 DFADHM [O-]c1cccc(CN2CCC23CCOCC3)c1Br ZINC000656575202 431434912 /nfs/dbraw/zinc/43/49/12/431434912.db2.gz CDCMESKKQVFEEE-UHFFFAOYSA-N -1 3 312.207 2.910 20 0 DFADHM Cn1ncc(C2CCC2)c1C[N-]c1nc(Cc2ccncc2)no1 ZINC000656776305 431517528 /nfs/dbraw/zinc/51/75/28/431517528.db2.gz NCSFQGHUBCENNZ-UHFFFAOYSA-N -1 3 324.388 2.669 20 0 DFADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)c2nccn21 ZINC000650235932 431495158 /nfs/dbraw/zinc/49/51/58/431495158.db2.gz FXRXXWUPAFFQES-JQWIXIFHSA-N -1 3 317.370 2.614 20 0 DFADHM CO[C@@H](CN1CCc2ccc(C(=O)[O-])cc2C1)C1CCCC1 ZINC000656755842 431502638 /nfs/dbraw/zinc/50/26/38/431502638.db2.gz DPFWYJBBBMNWDN-KRWDZBQOSA-N -1 3 303.402 2.948 20 0 DFADHM CC1(C)CC[C@@H](CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)O1 ZINC000656757073 431503657 /nfs/dbraw/zinc/50/36/57/431503657.db2.gz KJZUTDMPBPVDBZ-VWYCJHECSA-N -1 3 309.328 2.529 20 0 DFADHM CO[C@@H](CC(C)C)CN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656757439 431503848 /nfs/dbraw/zinc/50/38/48/431503848.db2.gz NURMUSCQMHBQIE-WOPDTQHZSA-N -1 3 311.344 2.633 20 0 DFADHM COc1ccnc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC000656762437 431507558 /nfs/dbraw/zinc/50/75/58/431507558.db2.gz AQOWKAMKHHQXNC-PMPSAXMXSA-N -1 3 304.390 2.556 20 0 DFADHM C[C@@]12COC[C@]1(C)CN(Cc1ccc(C(=O)[O-])c(Cl)c1)C2 ZINC000656761166 431507638 /nfs/dbraw/zinc/50/76/38/431507638.db2.gz MYUQKNILLGMTBX-IYBDPMFKSA-N -1 3 309.793 2.897 20 0 DFADHM COc1cc(OC)cc(-c2noc([N-][C@@H](C)[C@H](C)OC)n2)c1 ZINC000663837691 431559548 /nfs/dbraw/zinc/55/95/48/431559548.db2.gz YZHTWWNHDNACRC-UWVGGRQHSA-N -1 3 307.350 2.589 20 0 DFADHM CC[C@H]1CCCCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000332279033 288186511 /nfs/dbraw/zinc/18/65/11/288186511.db2.gz QVMITGPJFDNPPA-HNNXBMFYSA-N -1 3 324.446 2.853 20 0 DFADHM CO[C@H](CS(=O)(=O)[N-]Cc1ccc(Cl)o1)C1CCCC1 ZINC000656864055 431554542 /nfs/dbraw/zinc/55/45/42/431554542.db2.gz OKBOXOHHRGWVQN-GFCCVEGCSA-N -1 3 321.826 2.558 20 0 DFADHM C[C@H]1C[C@H](NCc2cccc(C(=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000263433160 280011659 /nfs/dbraw/zinc/01/16/59/280011659.db2.gz STVPIGZCNUUENU-GUYCJALGSA-N -1 3 324.380 2.668 20 0 DFADHM CC[C@H](NCc1nc(=O)c2sccc2[n-]1)[C@H]1CCCCO1 ZINC000653877735 431566499 /nfs/dbraw/zinc/56/64/99/431566499.db2.gz SFFMCTKJXMRGSY-CMPLNLGQSA-N -1 3 307.419 2.834 20 0 DFADHM CO[C@H](CNC(C)(C)c1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000660749962 431577095 /nfs/dbraw/zinc/57/70/95/431577095.db2.gz VBBIEDJNGBGODK-CQSZACIVSA-N -1 3 301.390 2.703 20 0 DFADHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCCC[C@H]1F)C1CCCCC1 ZINC000657013847 431577414 /nfs/dbraw/zinc/57/74/14/431577414.db2.gz XRLZHWKKNSQWQV-RBSFLKMASA-N -1 3 321.458 2.782 20 0 DFADHM CO[C@@H](CS(=O)(=O)[N-]Cc1occc1C)C1CCCCC1 ZINC000656995766 431574122 /nfs/dbraw/zinc/57/41/22/431574122.db2.gz XIMHTTPEHGAGFD-HNNXBMFYSA-N -1 3 315.435 2.603 20 0 DFADHM Cc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)[n-]c(=O)n1 ZINC000268842005 280340972 /nfs/dbraw/zinc/34/09/72/280340972.db2.gz MSAHHGWIVWJWJU-AAEUAGOBSA-N -1 3 315.348 2.648 20 0 DFADHM O=C([O-])C1(CNCc2c(Cl)cccc2Cl)CCOCC1 ZINC000647465662 431596346 /nfs/dbraw/zinc/59/63/46/431596346.db2.gz QVYQCEWNGVEBFU-UHFFFAOYSA-N -1 3 318.200 2.964 20 0 DFADHM CC[C@H](C(=O)[O-])N(C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000650516430 431597089 /nfs/dbraw/zinc/59/70/89/431597089.db2.gz ADRMYXPMVNVETM-LLVKDONJSA-N -1 3 316.188 2.936 20 0 DFADHM C[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000657110732 431600545 /nfs/dbraw/zinc/60/05/45/431600545.db2.gz IBTGBKIDJSRRFE-XHDPSFHLSA-N -1 3 305.374 2.832 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H](C)OC3(CCCCC3)C2)n1 ZINC000653904340 431579348 /nfs/dbraw/zinc/57/93/48/431579348.db2.gz 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CC(C)c1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)c([O-])c1 ZINC000436555838 297012303 /nfs/dbraw/zinc/01/23/03/297012303.db2.gz JORSYMZQDBLQOL-INIZCTEOSA-N -1 3 302.418 2.682 20 0 DFADHM COc1ncccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436562338 297012502 /nfs/dbraw/zinc/01/25/02/297012502.db2.gz JAASFBXGVGUBKR-UHFFFAOYSA-N -1 3 314.341 2.762 20 0 DFADHM COCCOc1ncccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436563378 297012606 /nfs/dbraw/zinc/01/26/06/297012606.db2.gz MTKYQPIZAURGKD-UHFFFAOYSA-N -1 3 316.357 2.682 20 0 DFADHM COc1ccc(C(=O)NCCCOc2ccccc2C)c([O-])c1 ZINC000436570123 297013146 /nfs/dbraw/zinc/01/31/46/297013146.db2.gz MVKFFPGKIHKQGK-UHFFFAOYSA-N -1 3 315.369 2.908 20 0 DFADHM CCN(C)C(=O)CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436567025 297013249 /nfs/dbraw/zinc/01/32/49/297013249.db2.gz RNJKOPIFGQSVHH-UHFFFAOYSA-N -1 3 320.433 2.847 20 0 DFADHM CC[C@H](NC(=O)c1ccc(OC)cc1[O-])c1c(C)nn(C)c1C ZINC000436572707 297013596 /nfs/dbraw/zinc/01/35/96/297013596.db2.gz GCFRZJYBRWINRA-AWEZNQCLSA-N -1 3 317.389 2.632 20 0 DFADHM Cc1cccc(-c2nc(-c3ncccc3-n3cccn3)no2)c1[O-] ZINC000436579167 297014371 /nfs/dbraw/zinc/01/43/71/297014371.db2.gz CELWQOWDDGKVAD-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM CN(CCNC(=O)c1ccc(F)cc1[O-])Cc1ccc(F)cc1 ZINC000436578113 297014400 /nfs/dbraw/zinc/01/44/00/297014400.db2.gz WFXGINUPVSJNDG-UHFFFAOYSA-N -1 3 320.339 2.532 20 0 DFADHM Cc1ccc(-c2nc(CCn3nnc4ccccc43)no2)c([O-])c1 ZINC000436575812 297014530 /nfs/dbraw/zinc/01/45/30/297014530.db2.gz NROCRMJQXDXLOH-UHFFFAOYSA-N -1 3 321.340 2.738 20 0 DFADHM Cc1cccc(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1[O-] ZINC000436583864 297014942 /nfs/dbraw/zinc/01/49/42/297014942.db2.gz KQUDXVLVVIZQLW-CJNGLKHVSA-N -1 3 324.380 2.624 20 0 DFADHM Cc1cccc(C(=O)Nc2cc(-c3ccncc3)nn2C)c1[O-] ZINC000436580675 297014952 /nfs/dbraw/zinc/01/49/52/297014952.db2.gz CPELQRPHFSUBCM-UHFFFAOYSA-N -1 3 308.341 2.748 20 0 DFADHM Cc1cccc(C(=O)NCC[C@@H]2COc3ccccc3O2)c1[O-] ZINC000436598700 297016881 /nfs/dbraw/zinc/01/68/81/297016881.db2.gz 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/nfs/dbraw/zinc/01/80/54/297018054.db2.gz JKVWSLALVFBNCD-AWEZNQCLSA-N -1 3 320.433 2.858 20 0 DFADHM COc1cc2c(cc1CNC(=O)c1ccccc1[O-])O[C@H](C)C2 ZINC000436611505 297018238 /nfs/dbraw/zinc/01/82/38/297018238.db2.gz YJLSBOQCHRTUSW-LLVKDONJSA-N -1 3 313.353 2.654 20 0 DFADHM COCC1(CNC(=O)c2ccc(OC)cc2[O-])CCCCC1 ZINC000436617090 297018253 /nfs/dbraw/zinc/01/82/53/297018253.db2.gz JUKCPQXYLPIURB-UHFFFAOYSA-N -1 3 307.390 2.728 20 0 DFADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000436622483 297018625 /nfs/dbraw/zinc/01/86/25/297018625.db2.gz DFOZFNSLFZJASZ-VGTOOOLASA-N -1 3 313.353 2.781 20 0 DFADHM C[C@@H]1OCC[C@@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436619813 297018805 /nfs/dbraw/zinc/01/88/05/297018805.db2.gz SPTAJCNBDUFVPF-GUYCJALGSA-N -1 3 311.381 2.890 20 0 DFADHM CCCCO[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2[O-])C1(C)C ZINC000436624107 297019067 /nfs/dbraw/zinc/01/90/67/297019067.db2.gz IQDSYJXNJCZJAR-CABCVRRESA-N -1 3 307.390 2.811 20 0 DFADHM Cc1cccc(C(=O)NCCc2ccn(-c3ccccc3)n2)c1[O-] ZINC000436628545 297019261 /nfs/dbraw/zinc/01/92/61/297019261.db2.gz ZYEVGWCJOFDCNK-UHFFFAOYSA-N -1 3 321.380 2.859 20 0 DFADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc([O-])c(OC)c1 ZINC000436632885 297019515 /nfs/dbraw/zinc/01/95/15/297019515.db2.gz GXSNHKMIWZNAFG-AWEZNQCLSA-N -1 3 307.390 2.822 20 0 DFADHM COC(=O)c1ccc(F)c(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436641530 297019965 /nfs/dbraw/zinc/01/99/65/297019965.db2.gz NRJRZJPBELDACC-UHFFFAOYSA-N -1 3 319.288 2.579 20 0 DFADHM COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1c([O-])cccc1O ZINC000436645824 297020410 /nfs/dbraw/zinc/02/04/10/297020410.db2.gz DVWWRFNVDLLOQF-MAUKXSAKSA-N -1 3 313.353 2.566 20 0 DFADHM COc1ccc(F)cc1[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436645819 297020464 /nfs/dbraw/zinc/02/04/64/297020464.db2.gz DVUMUGUVXOGJBT-VIFPVBQESA-N -1 3 305.305 2.737 20 0 DFADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](Oc2ccccc2)C1 ZINC000436648178 297020889 /nfs/dbraw/zinc/02/08/89/297020889.db2.gz MIJGZEULFDFDND-AWEZNQCLSA-N -1 3 313.353 2.781 20 0 DFADHM Cn1cc(Nc2cccc(NC(=O)c3c([O-])cccc3O)c2)cn1 ZINC000436648397 297021083 /nfs/dbraw/zinc/02/10/83/297021083.db2.gz QDVLBVRPFZDLOF-UHFFFAOYSA-N -1 3 324.340 2.827 20 0 DFADHM CCO[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2O)C1(CC)CC ZINC000436648754 297021646 /nfs/dbraw/zinc/02/16/46/297021646.db2.gz RLNZOPDQTDVKMK-ZIAGYGMSSA-N -1 3 307.390 2.811 20 0 DFADHM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000436659494 297022501 /nfs/dbraw/zinc/02/25/01/297022501.db2.gz RMJFYUDLISWBII-NSHDSACASA-N -1 3 313.357 2.767 20 0 DFADHM CC[C@@H](NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-])C(N)=O ZINC000436663734 297023094 /nfs/dbraw/zinc/02/30/94/297023094.db2.gz GYETYXKWVMCYEX-CQSZACIVSA-N -1 3 306.406 2.633 20 0 DFADHM CC(C)c1ccc(C(=O)NCC(=O)Nc2ccccc2)c([O-])c1 ZINC000436675170 297023974 /nfs/dbraw/zinc/02/39/74/297023974.db2.gz UYEJXEGJHAXUNE-UHFFFAOYSA-N -1 3 312.369 2.884 20 0 DFADHM CCc1cc(=O)c2cc(NC(=O)c3c([O-])cccc3O)ccc2[nH]1 ZINC000436676877 297023988 /nfs/dbraw/zinc/02/39/88/297023988.db2.gz AFXYXKHQYSUBDZ-UHFFFAOYSA-N -1 3 324.336 2.754 20 0 DFADHM CCN(CCNC(=O)c1c([O-])cccc1O)c1cccc(C)c1 ZINC000436674926 297024067 /nfs/dbraw/zinc/02/40/67/297024067.db2.gz RNQGBMQLDFSEGB-UHFFFAOYSA-N -1 3 314.385 2.663 20 0 DFADHM CC(C)(C)C[C@H](CO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436695862 297025844 /nfs/dbraw/zinc/02/58/44/297025844.db2.gz MNHLDGYTCAEXCY-GFCCVEGCSA-N -1 3 321.417 2.633 20 0 DFADHM C[C@H](CNC(=O)c1cc(Cl)ccc1[O-])N1CCC(C)CC1 ZINC000436698105 297026105 /nfs/dbraw/zinc/02/61/05/297026105.db2.gz LPIGRXDBHIOPRU-GFCCVEGCSA-N -1 3 310.825 2.896 20 0 DFADHM COc1cccc(C(=O)NCCC2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000436704003 297026371 /nfs/dbraw/zinc/02/63/71/297026371.db2.gz NPCJWEQEIYQNAL-RYUDHWBXSA-N -1 3 307.390 2.724 20 0 DFADHM C[C@@H](CNC(=O)c1cc(Cl)c2ccccc2c1[O-])N(C)C ZINC000436755146 297031648 /nfs/dbraw/zinc/03/16/48/297031648.db2.gz KYKZRQMEWIVAMW-JTQLQIEISA-N -1 3 306.793 2.879 20 0 DFADHM C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCN1C ZINC000436754546 297031838 /nfs/dbraw/zinc/03/18/38/297031838.db2.gz ZJJGAEZRMANFGL-MWLCHTKSSA-N -1 3 316.323 2.624 20 0 DFADHM CN(CCCN(C)C(=O)c1cc(F)ccc1[O-])Cc1ccco1 ZINC000436710941 297027510 /nfs/dbraw/zinc/02/75/10/297027510.db2.gz BHQHIODZTCSXSM-UHFFFAOYSA-N -1 3 320.364 2.718 20 0 DFADHM CCn1nnnc1-c1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436717484 297027844 /nfs/dbraw/zinc/02/78/44/297027844.db2.gz GDDURBXSSLNPHS-UHFFFAOYSA-N -1 3 323.356 2.626 20 0 DFADHM CC[C@H](C)N[C@@H](CNC(=O)c1ccccc1[O-])c1ccco1 ZINC000436718479 297027933 /nfs/dbraw/zinc/02/79/33/297027933.db2.gz ZSFRIXWOGAPYHY-JSGCOSHPSA-N -1 3 302.374 2.844 20 0 DFADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOCC12CC2 ZINC000436714638 297027975 /nfs/dbraw/zinc/02/79/75/297027975.db2.gz MTABFBKBFKUQPR-UHFFFAOYSA-N -1 3 323.392 2.988 20 0 DFADHM CCc1ccc(C(=O)NCc2ccnc(OC(F)F)c2)c([O-])c1 ZINC000436717643 297028005 /nfs/dbraw/zinc/02/80/05/297028005.db2.gz CFTFYKQTBSVRLA-UHFFFAOYSA-N -1 3 322.311 2.881 20 0 DFADHM C[C@@H]1CCC[C@@H](CN2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436721967 297028360 /nfs/dbraw/zinc/02/83/60/297028360.db2.gz ZKKQCPDISAVAMR-HZPDHXFCSA-N -1 3 316.445 2.976 20 0 DFADHM COc1ccc(C(=O)N[C@H]2COc3c2ccc(C)c3C)c([O-])c1 ZINC000436722323 297028541 /nfs/dbraw/zinc/02/85/41/297028541.db2.gz KOPOEIDEIBUBIS-HNNXBMFYSA-N -1 3 313.353 2.881 20 0 DFADHM COc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c([O-])c1 ZINC000436727831 297029047 /nfs/dbraw/zinc/02/90/47/297029047.db2.gz DCGYAUXJMHTDRZ-UHFFFAOYSA-N -1 3 301.277 2.669 20 0 DFADHM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cccc(C)c2[O-])[nH]1 ZINC000436733463 297029543 /nfs/dbraw/zinc/02/95/43/297029543.db2.gz XJXIZWVIBXKMJC-GXSJLCMTSA-N -1 3 302.378 2.823 20 0 DFADHM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436739586 297029858 /nfs/dbraw/zinc/02/98/58/297029858.db2.gz OQTIBXMXJWPACY-QLJPJBMISA-N -1 3 319.332 2.743 20 0 DFADHM Cc1ccc(C(=O)NC[C@@H](CO)c2ccccc2Cl)c([O-])c1 ZINC000436739458 297029995 /nfs/dbraw/zinc/02/99/95/297029995.db2.gz OHDRNOHNASETCG-LBPRGKRZSA-N -1 3 319.788 2.860 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NC[C@@H]3CCCSC3)c([O-])c2O1 ZINC000436734931 297030054 /nfs/dbraw/zinc/03/00/54/297030054.db2.gz BONYWHVLDCGSJU-NSHDSACASA-N -1 3 321.442 2.979 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@]12CCOC2 ZINC000436738655 297030098 /nfs/dbraw/zinc/03/00/98/297030098.db2.gz UBWLPZNWUBEDIE-SFHVURJKSA-N -1 3 301.386 2.666 20 0 DFADHM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436741553 297030379 /nfs/dbraw/zinc/03/03/79/297030379.db2.gz CLGUGIHGOACYPV-HWPZZCPQSA-N -1 3 319.332 2.743 20 0 DFADHM COc1ccc(CNC(=O)c2ccc(C)c(C)c2[O-])c(OC)c1 ZINC000436760750 297032261 /nfs/dbraw/zinc/03/22/61/297032261.db2.gz FBMSKJWQYLSVKK-UHFFFAOYSA-N -1 3 315.369 2.956 20 0 DFADHM C[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])N1CCC[C@H](C)C1 ZINC000436764228 297032902 /nfs/dbraw/zinc/03/29/02/297032902.db2.gz KNOJEXKOAHUSPI-RYUDHWBXSA-N -1 3 310.825 2.896 20 0 DFADHM CCN(CCNC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000436764068 297032943 /nfs/dbraw/zinc/03/29/43/297032943.db2.gz OEFDJMHSOPENGE-UHFFFAOYSA-N -1 3 316.323 2.625 20 0 DFADHM Cc1cccc(-n2cc(-c3nc(-c4ccc([O-])cc4)no3)nn2)c1 ZINC000436765945 297033026 /nfs/dbraw/zinc/03/30/26/297033026.db2.gz ALWBAIHGTSEQHD-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436773231 297033317 /nfs/dbraw/zinc/03/33/17/297033317.db2.gz QHSXXGFAUOZFOO-VHSXEESVSA-N -1 3 316.323 2.576 20 0 DFADHM C[C@@H]1[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCN1C ZINC000436770897 297033419 /nfs/dbraw/zinc/03/34/19/297033419.db2.gz VSMBANLTOMEHNL-ZJUUUORDSA-N -1 3 316.323 2.576 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2csc(C)n2)c1 ZINC000436785703 297033994 /nfs/dbraw/zinc/03/39/94/297033994.db2.gz FZJNFVNWFJDVQD-QMMMGPOBSA-N -1 3 319.386 2.607 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC[C@@H]2C)c1 ZINC000436788174 297034399 /nfs/dbraw/zinc/03/43/99/297034399.db2.gz UUDZEWYQWUEEQA-WCQYABFASA-N -1 3 304.390 2.907 20 0 DFADHM COc1nc(C)cc(C)c1CNC(=O)c1ccc(C)cc1[O-] ZINC000436796180 297034736 /nfs/dbraw/zinc/03/47/36/297034736.db2.gz IISQJYBUVDSCJU-UHFFFAOYSA-N -1 3 300.358 2.651 20 0 DFADHM CCCCn1cc(CNC(=O)c2cccc(C)c2[O-])c(C)n1 ZINC000436794181 297034948 /nfs/dbraw/zinc/03/49/48/297034948.db2.gz UHNSWCAAXGUAFS-UHFFFAOYSA-N -1 3 301.390 2.936 20 0 DFADHM CCNC(=O)[C@@H](C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436824926 297037522 /nfs/dbraw/zinc/03/75/22/297037522.db2.gz JDTKUFHMWDSNIW-GFCCVEGCSA-N -1 3 320.433 2.893 20 0 DFADHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H](C)C1 ZINC000436793657 297035082 /nfs/dbraw/zinc/03/50/82/297035082.db2.gz RWTODICIWIDIIQ-HUBLWGQQSA-N -1 3 322.836 2.848 20 0 DFADHM CCc1ccc(C(=O)NC2(C(=O)OC)CCCCC2)c([O-])c1 ZINC000436805282 297035915 /nfs/dbraw/zinc/03/59/15/297035915.db2.gz DOOLUUNVWKQIAJ-UHFFFAOYSA-N -1 3 305.374 2.560 20 0 DFADHM CCN(CCNC(=O)c1ccc(F)cc1[O-])CCC(F)(F)F ZINC000436812870 297036222 /nfs/dbraw/zinc/03/62/22/297036222.db2.gz YFYNWOJYRXOFDH-UHFFFAOYSA-N -1 3 322.302 2.535 20 0 DFADHM CCc1ccc(C(=O)Nc2cccc(C(=O)NC)c2C)c([O-])c1 ZINC000436819815 297037014 /nfs/dbraw/zinc/03/70/14/297037014.db2.gz OLCRKCMAYDZJHJ-UHFFFAOYSA-N -1 3 312.369 2.875 20 0 DFADHM COC(=O)[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])c1ccsc1 ZINC000436823614 297037717 /nfs/dbraw/zinc/03/77/17/297037717.db2.gz BXKYUPKGHWDUBD-ZDUSSCGKSA-N -1 3 319.382 2.715 20 0 DFADHM CCc1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000436830119 297037842 /nfs/dbraw/zinc/03/78/42/297037842.db2.gz NJFXWOCSAYXDBB-MSOLQXFVSA-N -1 3 324.424 2.782 20 0 DFADHM CCc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)c([O-])c1 ZINC000436830131 297038188 /nfs/dbraw/zinc/03/81/88/297038188.db2.gz NJFXWOCSAYXDBB-ZWKOTPCHSA-N -1 3 324.424 2.782 20 0 DFADHM CCc1ccc(C(=O)NC[C@@H](O)CCc2ccccc2)c([O-])c1 ZINC000436838124 297038721 /nfs/dbraw/zinc/03/87/21/297038721.db2.gz IANUOAGBFLKLSF-INIZCTEOSA-N -1 3 313.397 2.678 20 0 DFADHM CO[C@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC[C@@H]1C ZINC000436837282 297038808 /nfs/dbraw/zinc/03/88/08/297038808.db2.gz HFUCZXSZSKEFPZ-FZMZJTMJSA-N -1 3 319.401 2.603 20 0 DFADHM CCc1ccc(C(=O)NCC2([C@@H](C)CCO)CCC2)c([O-])c1 ZINC000436838396 297039082 /nfs/dbraw/zinc/03/90/82/297039082.db2.gz KGKZZJNGTMXLOZ-ZDUSSCGKSA-N -1 3 305.418 2.873 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](CO)Cc2ccccc2C)c([O-])c1C ZINC000436840825 297039392 /nfs/dbraw/zinc/03/93/92/297039392.db2.gz RXZZCESFPZIZMI-MRXNPFEDSA-N -1 3 313.397 2.651 20 0 DFADHM COc1cccc(C(=O)Nc2c3c(nn2C(C)C)CCC3)c1[O-] ZINC000436854274 297040137 /nfs/dbraw/zinc/04/01/37/297040137.db2.gz GLWCZTXQYXMCFL-UHFFFAOYSA-N -1 3 315.373 2.919 20 0 DFADHM CC(=O)c1ccc(C(=O)N(C)CCOc2ccccc2)cc1[O-] ZINC000436854611 297040175 /nfs/dbraw/zinc/04/01/75/297040175.db2.gz NRCLRCJGEJMTDZ-UHFFFAOYSA-N -1 3 313.353 2.746 20 0 DFADHM COc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1O ZINC000436858107 297040383 /nfs/dbraw/zinc/04/03/83/297040383.db2.gz DIXVODIMLWRSQR-UHFFFAOYSA-N -1 3 301.298 2.561 20 0 DFADHM COC(=O)C1(CNC(=O)c2cccc(C)c2[O-])CCCCC1 ZINC000436859805 297040671 /nfs/dbraw/zinc/04/06/71/297040671.db2.gz LYSFKALQYSMFQQ-UHFFFAOYSA-N -1 3 305.374 2.554 20 0 DFADHM COc1cc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc(OC)c1 ZINC000436864603 297040895 /nfs/dbraw/zinc/04/08/95/297040895.db2.gz OIYMKRRVJCWNGK-UHFFFAOYSA-N -1 3 315.325 2.864 20 0 DFADHM CSc1nnc(NC(=O)c2cc(C(C)C)c(O)cc2C)[n-]1 ZINC000436874884 297041408 /nfs/dbraw/zinc/04/14/08/297041408.db2.gz WNJXERXRXIKHHD-UHFFFAOYSA-N -1 3 306.391 2.916 20 0 DFADHM CSc1n[n-]c(NC(=O)c2cc(C(C)C)c(O)cc2C)n1 ZINC000436874884 297041411 /nfs/dbraw/zinc/04/14/11/297041411.db2.gz WNJXERXRXIKHHD-UHFFFAOYSA-N -1 3 306.391 2.916 20 0 DFADHM COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436881241 297041511 /nfs/dbraw/zinc/04/15/11/297041511.db2.gz WPYKBZWSCUQHEP-JTQLQIEISA-N -1 3 317.341 2.606 20 0 DFADHM CCc1ccc(C(=O)NCCCO[C@H]2CCCCO2)c([O-])c1 ZINC000436878316 297041873 /nfs/dbraw/zinc/04/18/73/297041873.db2.gz BJQKKFKRUIDFGT-INIZCTEOSA-N -1 3 307.390 2.618 20 0 DFADHM Cc1cc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)ccc1[O-] ZINC000436895435 297042651 /nfs/dbraw/zinc/04/26/51/297042651.db2.gz JBHPFSHLKAUCRS-HNNXBMFYSA-N -1 3 324.424 2.877 20 0 DFADHM CC[C@@H](C)c1ncc(NC(=O)c2cccc(OC)c2[O-])cn1 ZINC000436917603 297044460 /nfs/dbraw/zinc/04/44/60/297044460.db2.gz BXLHRAQBWKRLIH-SNVBAGLBSA-N -1 3 301.346 2.957 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc2c(c1[O-])CCCC2 ZINC000436974931 297049526 /nfs/dbraw/zinc/04/95/26/297049526.db2.gz DLBCZVOJCLJXBR-DJIMGWMZSA-N -1 3 315.413 2.958 20 0 DFADHM COC(=O)c1ccc(CN(C)C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436925780 297045433 /nfs/dbraw/zinc/04/54/33/297045433.db2.gz JMHBTZFTAQDZNZ-UHFFFAOYSA-N -1 3 313.353 2.759 20 0 DFADHM COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000436927994 297045603 /nfs/dbraw/zinc/04/56/03/297045603.db2.gz AXSYFEOTFQTQCR-CABCVRRESA-N -1 3 319.401 2.942 20 0 DFADHM Cc1cc(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)ccc1[O-] ZINC000436928319 297045607 /nfs/dbraw/zinc/04/56/07/297045607.db2.gz VXVSYEXWNVRBCB-BBRMVZONSA-N -1 3 324.380 2.624 20 0 DFADHM COc1cccc(C(=O)NCCC2CCC(OC)CC2)c1[O-] ZINC000436937140 297046201 /nfs/dbraw/zinc/04/62/01/297046201.db2.gz DIZKYHBQJCLWAV-UHFFFAOYSA-N -1 3 307.390 2.726 20 0 DFADHM CC(C)(C)OC1CC(CCNC(=O)c2ccc(O)cc2[O-])C1 ZINC000436952643 297047216 /nfs/dbraw/zinc/04/72/16/297047216.db2.gz YBQJHMFPZIIXKY-UHFFFAOYSA-N -1 3 307.390 2.811 20 0 DFADHM CN(C(=O)c1ccc(O)cc1[O-])[C@H](c1ncc[nH]1)c1ccccc1 ZINC000436964313 297048198 /nfs/dbraw/zinc/04/81/98/297048198.db2.gz FPMWPXQQYJAVFU-INIZCTEOSA-N -1 3 323.352 2.683 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H](C)Cn2cccn2)c([O-])c1 ZINC000436971861 297048802 /nfs/dbraw/zinc/04/88/02/297048802.db2.gz LTRRWUQHKIUMSJ-CYBMUJFWSA-N -1 3 317.389 2.586 20 0 DFADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc2c(c1[O-])CCCC2 ZINC000436974934 297049280 /nfs/dbraw/zinc/04/92/80/297049280.db2.gz DLBCZVOJCLJXBR-USXIJHARSA-N -1 3 315.413 2.958 20 0 DFADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1cc[nH]c(=O)c1 ZINC000436977448 297049436 /nfs/dbraw/zinc/04/94/36/297049436.db2.gz ROHLUNLYPKGXFI-LLVKDONJSA-N -1 3 312.369 2.863 20 0 DFADHM O=C(NCc1ccn2ccnc2c1)c1ccc2c(c1[O-])CCCC2 ZINC000436979642 297049830 /nfs/dbraw/zinc/04/98/30/297049830.db2.gz ZVFPRBYVNGZEHR-UHFFFAOYSA-N -1 3 321.380 2.849 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H]2CCCOC2)c([O-])c1 ZINC000436985436 297050350 /nfs/dbraw/zinc/05/03/50/297050350.db2.gz CJEPELUMMUHNNL-CYBMUJFWSA-N -1 3 307.390 2.728 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000436988432 297050611 /nfs/dbraw/zinc/05/06/11/297050611.db2.gz PGZFAJVRLMMEMX-OLZOCXBDSA-N -1 3 307.390 2.868 20 0 DFADHM O=C(NCCc1cccc(O)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436990709 297050905 /nfs/dbraw/zinc/05/09/05/297050905.db2.gz VXAKMEHSAPYQLO-UHFFFAOYSA-N -1 3 311.381 2.949 20 0 DFADHM CCCCOc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)c([O-])c1 ZINC000436990603 297050908 /nfs/dbraw/zinc/05/09/08/297050908.db2.gz RANXHXFESACRNG-CZUORRHYSA-N -1 3 321.417 2.852 20 0 DFADHM COc1c(CNC(=O)c2c([O-])cccc2O)oc2ccccc21 ZINC000436994647 297050957 /nfs/dbraw/zinc/05/09/57/297050957.db2.gz DURHNMNFLUBXRV-UHFFFAOYSA-N -1 3 313.309 2.783 20 0 DFADHM Cc1cccc(C(=O)N[C@H](Cc2nnc[nH]2)c2ccccc2)c1[O-] ZINC000436992060 297051355 /nfs/dbraw/zinc/05/13/55/297051355.db2.gz TWWZBFVJMRBICV-OAHLLOKOSA-N -1 3 322.368 2.533 20 0 DFADHM Cc1ccc([O-])c(-c2nc(-c3ccc(-n4cccn4)nc3)no2)c1 ZINC000436999344 297051701 /nfs/dbraw/zinc/05/17/01/297051701.db2.gz RAEIOXRRTWDGHQ-UHFFFAOYSA-N -1 3 319.324 2.998 20 0 DFADHM CNC(=O)c1cc2cc(NC(=O)c3cccc(C)c3[O-])ccc2[nH]1 ZINC000436997036 297051756 /nfs/dbraw/zinc/05/17/56/297051756.db2.gz FGCQAWYNMBCNAS-UHFFFAOYSA-N -1 3 323.352 2.794 20 0 DFADHM Cc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000436997346 297051850 /nfs/dbraw/zinc/05/18/50/297051850.db2.gz IJTCFZZMQKTZAJ-GOEBONIOSA-N -1 3 315.344 2.788 20 0 DFADHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1ccc(C)c(C)c1[O-] ZINC000288470052 294695839 /nfs/dbraw/zinc/69/58/39/294695839.db2.gz ORNZYNCNCHHKGN-QKNJOQAUSA-N -1 3 301.386 2.504 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCS[C@H]3CCCC[C@H]32)c1 ZINC000175473546 295165633 /nfs/dbraw/zinc/16/56/33/295165633.db2.gz FVNYDVJKQYAQKJ-HIFRSBDPSA-N -1 3 307.415 2.901 20 0 DFADHM COc1ccc([C@@H](CO)N(C)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000181689429 295213062 /nfs/dbraw/zinc/21/30/62/295213062.db2.gz XWXWXZGXXXEVBI-MRXNPFEDSA-N -1 3 315.369 2.515 20 0 DFADHM COc1cccc(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000286632000 295283682 /nfs/dbraw/zinc/28/36/82/295283682.db2.gz CVUFSGGNDYWKJW-OLZOCXBDSA-N -1 3 307.390 2.557 20 0 DFADHM COc1cccc(OC)c1CC(=O)Nc1cc(F)ccc1[O-] ZINC000154111437 295292320 /nfs/dbraw/zinc/29/23/20/295292320.db2.gz JVUOHKOOWRMZNT-UHFFFAOYSA-N -1 3 305.305 2.730 20 0 DFADHM Cc1nn(C)c(C)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000154114240 295292334 /nfs/dbraw/zinc/29/23/34/295292334.db2.gz BXRWRDNNENSZAJ-UHFFFAOYSA-N -1 3 324.178 2.757 20 0 DFADHM COc1cccc(C(=O)N(C)Cc2cc(Cl)cn2C)c1[O-] ZINC000154288055 295296863 /nfs/dbraw/zinc/29/68/63/295296863.db2.gz KQWRPOAHYMTFPO-UHFFFAOYSA-N -1 3 308.765 2.665 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)Sc2n[nH]c(-c3cccnc3)n2)n1 ZINC000154636415 295304203 /nfs/dbraw/zinc/30/42/03/295304203.db2.gz UVBSEVNFDVQFIS-VIFPVBQESA-N -1 3 314.374 2.524 20 0 DFADHM CN(C)CCOc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000154807326 295307018 /nfs/dbraw/zinc/30/70/18/295307018.db2.gz BDIWJHHFJQSQBP-UHFFFAOYSA-N -1 3 318.348 2.724 20 0 DFADHM COc1ccccc1/C=C/C(=O)NCc1ccc([O-])c(F)c1 ZINC000156286523 295333948 /nfs/dbraw/zinc/33/39/48/295333948.db2.gz IFCRNCQUXPFBTE-VQHVLOKHSA-N -1 3 301.317 2.870 20 0 DFADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccccc3)c(F)cc2N1 ZINC000156957039 295343028 /nfs/dbraw/zinc/34/30/28/295343028.db2.gz JAGMXCQIBHAXEH-UHFFFAOYSA-N -1 3 320.345 2.511 20 0 DFADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1cnccn1 ZINC000157531350 295350042 /nfs/dbraw/zinc/35/00/42/295350042.db2.gz ZSIBATZJGHUVTK-UHFFFAOYSA-N -1 3 311.370 2.637 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CCCO1 ZINC000157804098 295353539 /nfs/dbraw/zinc/35/35/39/295353539.db2.gz AIBZYEJKFXNBGV-VXGBXAGGSA-N -1 3 321.801 2.715 20 0 DFADHM Cc1csc(C2([N-]S(=O)(=O)c3ccccn3)CCCC2)n1 ZINC000158965830 295369779 /nfs/dbraw/zinc/36/97/79/295369779.db2.gz JPDABXGARNZNJR-UHFFFAOYSA-N -1 3 323.443 2.594 20 0 DFADHM Cc1cccc(CS(=O)(=O)[N-][C@H]2COc3cccc(F)c32)c1 ZINC000363683910 295434176 /nfs/dbraw/zinc/43/41/76/295434176.db2.gz DVUOLIBNCALJGS-AWEZNQCLSA-N -1 3 321.373 2.687 20 0 DFADHM C[C@H]1CSC[C@H]1NCc1cccc([O-])c1Br ZINC000397751435 295488482 /nfs/dbraw/zinc/48/84/82/295488482.db2.gz DTEMXFWKYUHUJW-WCBMZHEXSA-N -1 3 302.237 2.996 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]Cc2cnc(C)cc2C)c(F)c1 ZINC000404988770 295502166 /nfs/dbraw/zinc/50/21/66/295502166.db2.gz RTNDONPYFWLDJL-UHFFFAOYSA-N -1 3 308.378 2.624 20 0 DFADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000410623725 295511584 /nfs/dbraw/zinc/51/15/84/295511584.db2.gz JVSINSOPPSROPP-VWYCJHECSA-N -1 3 306.362 2.788 20 0 DFADHM CCC[C@@H](CC)NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411188759 295530301 /nfs/dbraw/zinc/53/03/01/295530301.db2.gz DZAZSCFHEWRWIT-CYBMUJFWSA-N -1 3 314.389 2.506 20 0 DFADHM Cc1cn(C)nc1C(=O)Nc1ccc([O-])c(COC(C)C)c1 ZINC000412370418 295616784 /nfs/dbraw/zinc/61/67/84/295616784.db2.gz YIPWYAMKWPNYHI-UHFFFAOYSA-N -1 3 303.362 2.611 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCO[C@@H](C2CCC2)C1 ZINC000412436616 295622580 /nfs/dbraw/zinc/62/25/80/295622580.db2.gz CGPOXRMNAPGUQJ-GOSISDBHSA-N -1 3 315.413 2.912 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@H](CO)c2ccc(F)cc2)c1 ZINC000412735229 295651878 /nfs/dbraw/zinc/65/18/78/295651878.db2.gz ICPYCTIDQIIYCX-CQSZACIVSA-N -1 3 317.360 2.600 20 0 DFADHM CCCc1nnc([N-]C(=O)c2cn3cc(C)nc3s2)s1 ZINC000438566991 297098931 /nfs/dbraw/zinc/09/89/31/297098931.db2.gz BBVCPGGSJQAFNF-UHFFFAOYSA-N -1 3 307.404 2.761 20 0 DFADHM CC[C@H](C)[C@](C)(O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000439507092 297130030 /nfs/dbraw/zinc/13/00/30/297130030.db2.gz FXNUFYIUVJWCMK-KPZWWZAWSA-N -1 3 305.418 2.798 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2F)c(F)cc1F ZINC000440393066 297151480 /nfs/dbraw/zinc/15/14/80/297151480.db2.gz PGJIOTBDHNDOCV-UHFFFAOYSA-N -1 3 315.316 2.891 20 0 DFADHM COc1ccc(C2(NC(=O)c3ccc([O-])c(OC)c3)CC2)cc1 ZINC000442651821 297198903 /nfs/dbraw/zinc/19/89/03/297198903.db2.gz PPHFTMFZZGFQQM-UHFFFAOYSA-N -1 3 313.353 2.829 20 0 DFADHM COc1ccc(CCNC(=O)c2ccc([O-])c(OC)c2)cc1F ZINC000442655147 297199419 /nfs/dbraw/zinc/19/94/19/297199419.db2.gz RRWYSDWDEXAHED-UHFFFAOYSA-N -1 3 319.332 2.521 20 0 DFADHM COc1ccc([C@@H](C)NC(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000442664006 297199844 /nfs/dbraw/zinc/19/98/44/297199844.db2.gz YGUVBLANNHNYHG-LLVKDONJSA-N -1 3 301.342 2.900 20 0 DFADHM COc1cc(C(=O)NCc2cccc(-c3ncc[nH]3)c2)ccc1[O-] ZINC000442804210 297207332 /nfs/dbraw/zinc/20/73/32/297207332.db2.gz VTJGOFRCLHBAEE-UHFFFAOYSA-N -1 3 323.352 2.721 20 0 DFADHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442911568 297210690 /nfs/dbraw/zinc/21/06/90/297210690.db2.gz ZNXWDDKOTSRZAN-ONGXEEELSA-N -1 3 322.352 2.957 20 0 DFADHM COc1ccc(C(=O)NCCc2ccc3[nH]ccc3c2)c([O-])c1 ZINC000442998791 297212691 /nfs/dbraw/zinc/21/26/91/297212691.db2.gz KKLSUTUUJLOPAP-UHFFFAOYSA-N -1 3 310.353 2.855 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)C(C)(C)C ZINC000443078234 297215128 /nfs/dbraw/zinc/21/51/28/297215128.db2.gz LEOAVKFYBBJWRM-SNVBAGLBSA-N -1 3 319.448 2.638 20 0 DFADHM CCC1(CC)[C@H](NC(=O)c2ccc([O-])c(OC)c2)[C@H](C)[C@H]1OC ZINC000443118218 297216191 /nfs/dbraw/zinc/21/61/91/297216191.db2.gz OZUAZGLOSAUAMM-IUIKQTSFSA-N -1 3 321.417 2.970 20 0 DFADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000443346786 297219890 /nfs/dbraw/zinc/21/98/90/297219890.db2.gz WGZVXYPFFXVNQS-KOLCDFICSA-N -1 3 323.817 2.555 20 0 DFADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000443346817 297220029 /nfs/dbraw/zinc/22/00/29/297220029.db2.gz WOAMDEVXKOREOT-MWLCHTKSSA-N -1 3 323.817 2.555 20 0 DFADHM Cc1cc([N-]C(=O)[C@@H](C)N(C)Cc2cc(F)cc(F)c2)on1 ZINC000444715000 297246794 /nfs/dbraw/zinc/24/67/94/297246794.db2.gz LAEOMRFDUXNOLO-SNVBAGLBSA-N -1 3 309.316 2.720 20 0 DFADHM Cn1ncc2ccc(-c3nc4cc(F)c(F)cc4c(=O)[n-]3)cc21 ZINC000447006522 297292837 /nfs/dbraw/zinc/29/28/37/297292837.db2.gz MBLPZSPHJYGFBL-UHFFFAOYSA-N -1 3 312.279 2.755 20 0 DFADHM Cc1cc(C(=O)Nc2cn(Cc3ccccc3)nn2)ccc1[O-] ZINC000447607769 297310664 /nfs/dbraw/zinc/31/06/64/297310664.db2.gz TWKXHZNCTNFPFF-UHFFFAOYSA-N -1 3 308.341 2.593 20 0 DFADHM CCc1ccc(C(=O)NCC2(CO)CC3(CCC3)C2)c([O-])c1 ZINC000447630495 297311662 /nfs/dbraw/zinc/31/16/62/297311662.db2.gz QJEARTYHVVHDLB-UHFFFAOYSA-N -1 3 303.402 2.627 20 0 DFADHM Cc1ccc([O-])c(NC(=O)CSc2nccn2C(C)(C)C)n1 ZINC000447635790 297312038 /nfs/dbraw/zinc/31/20/38/297312038.db2.gz GPDHQKYQFIGARA-UHFFFAOYSA-N -1 3 320.418 2.778 20 0 DFADHM Cn1nc(-c2ccsc2)cc1NC(=O)c1c([O-])cccc1O ZINC000448374748 297338878 /nfs/dbraw/zinc/33/88/78/297338878.db2.gz KTSVBXDGWBTAAU-UHFFFAOYSA-N -1 3 315.354 2.812 20 0 DFADHM CCCO[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000448938656 297381137 /nfs/dbraw/zinc/38/11/37/297381137.db2.gz SIQWXKCMVLCXKQ-AWEZNQCLSA-N -1 3 309.381 2.882 20 0 DFADHM COc1cccc(C[C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448969666 297384611 /nfs/dbraw/zinc/38/46/11/297384611.db2.gz VWZVQSFABKPAAY-LBPRGKRZSA-N -1 3 317.360 2.830 20 0 DFADHM Cn1cc([C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C(C)(C)C)cn1 ZINC000450091411 297585518 /nfs/dbraw/zinc/58/55/18/297585518.db2.gz MQZLTHGVCLVUHU-MRXNPFEDSA-N -1 3 319.380 2.711 20 0 DFADHM Cc1cnc([C@H](C)CNC(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000450592293 297651305 /nfs/dbraw/zinc/65/13/05/297651305.db2.gz OZZCJRJDIVLXII-SECBINFHSA-N -1 3 308.378 2.759 20 0 DFADHM C[C@@](CO)(NC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000450854950 297701313 /nfs/dbraw/zinc/70/13/13/297701313.db2.gz DSNICWUXMOXRBP-KRWDZBQOSA-N -1 3 309.381 2.521 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]C[C@H](c2ccccc2)N(C)C)c1 ZINC000450967179 297724227 /nfs/dbraw/zinc/72/42/27/297724227.db2.gz HMPFZAPEZTVPSA-CQSZACIVSA-N -1 3 324.471 2.638 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)C(F)F ZINC000451088454 297746043 /nfs/dbraw/zinc/74/60/43/297746043.db2.gz YNJRVGYLENNIAT-MRVPVSSYSA-N -1 3 306.359 2.618 20 0 DFADHM CO[C@@H](C)CC[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000451157112 297757313 /nfs/dbraw/zinc/75/73/13/297757313.db2.gz GZFNUEGFWPSVEA-NSHDSACASA-N -1 3 311.378 2.682 20 0 DFADHM COCCN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCC[C@@H]1C ZINC000451367023 297795708 /nfs/dbraw/zinc/79/57/08/297795708.db2.gz KOFAAZLNPNCTPD-SWLSCSKDSA-N -1 3 309.381 2.737 20 0 DFADHM CCC1([N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000451694013 297858909 /nfs/dbraw/zinc/85/89/09/297858909.db2.gz ZISOKLIEUZFWDY-UHFFFAOYSA-N -1 3 322.199 2.809 20 0 DFADHM CCC1([N-]S(=O)(=O)c2ccc(C(=O)OC)s2)CCCC1 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/nfs/dbraw/zinc/52/04/87/545520487.db2.gz CBYYJOGPYOQHAZ-MRVPVSSYSA-N -1 3 313.345 2.542 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2)s1 ZINC000680858654 545553304 /nfs/dbraw/zinc/55/33/04/545553304.db2.gz XNNCQLGJGLECLR-SWLSCSKDSA-N -1 3 322.455 2.714 20 0 DFADHM CC(C)[C@H]([N-]c1nnc(C(F)(F)F)s1)C(=O)N1CCCC1 ZINC000681391922 545636941 /nfs/dbraw/zinc/63/69/41/545636941.db2.gz KDGPDDMQUPLFQM-QMMMGPOBSA-N -1 3 322.356 2.616 20 0 DFADHM Cc1cccc2c(=O)c(C(=O)N(C)CCOC(C)(C)C)c[n-]c12 ZINC000681533778 545666988 /nfs/dbraw/zinc/66/69/88/545666988.db2.gz WMAHQOKZCIDRHO-UHFFFAOYSA-N -1 3 316.401 2.724 20 0 DFADHM O=C(NCc1cocn1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000681727076 545708221 /nfs/dbraw/zinc/70/82/21/545708221.db2.gz MQZDVORGZLPROM-UHFFFAOYSA-N -1 3 308.750 2.710 20 0 DFADHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccco2)cc1 ZINC000682082156 545793506 /nfs/dbraw/zinc/79/35/06/545793506.db2.gz QWBTWPZVSITIDT-GOEBONIOSA-N -1 3 321.398 2.787 20 0 DFADHM Cc1ccc(CCCNC(=O)c2cccc3nn[n-]c32)c(C)c1 ZINC000682150588 545804230 /nfs/dbraw/zinc/80/42/30/545804230.db2.gz IFLUMVFTPCZLNA-UHFFFAOYSA-N -1 3 308.385 2.937 20 0 DFADHM Cc1ccc(CCCNC(=O)c2cccc3[n-]nnc32)c(C)c1 ZINC000682150588 545804235 /nfs/dbraw/zinc/80/42/35/545804235.db2.gz IFLUMVFTPCZLNA-UHFFFAOYSA-N -1 3 308.385 2.937 20 0 DFADHM Cc1ccc(CCCNC(=O)c2cccc3n[n-]nc32)c(C)c1 ZINC000682150588 545804239 /nfs/dbraw/zinc/80/42/39/545804239.db2.gz IFLUMVFTPCZLNA-UHFFFAOYSA-N -1 3 308.385 2.937 20 0 DFADHM O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc2nn[n-]c21 ZINC000682156013 545806325 /nfs/dbraw/zinc/80/63/25/545806325.db2.gz GOFOUDDCJKGOSL-UHFFFAOYSA-N -1 3 310.332 2.906 20 0 DFADHM O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc2[n-]nnc21 ZINC000682156013 545806327 /nfs/dbraw/zinc/80/63/27/545806327.db2.gz GOFOUDDCJKGOSL-UHFFFAOYSA-N -1 3 310.332 2.906 20 0 DFADHM O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc2n[n-]nc21 ZINC000682156013 545806331 /nfs/dbraw/zinc/80/63/31/545806331.db2.gz GOFOUDDCJKGOSL-UHFFFAOYSA-N -1 3 310.332 2.906 20 0 DFADHM O=C(Nc1nc2ccccc2n1C1CC1)c1cccc2nn[n-]c21 ZINC000682163378 545809557 /nfs/dbraw/zinc/80/95/57/545809557.db2.gz KJXZPIDOJCKVRY-UHFFFAOYSA-N -1 3 318.340 2.895 20 0 DFADHM O=C(Nc1nc2ccccc2n1C1CC1)c1cccc2[n-]nnc21 ZINC000682163378 545809562 /nfs/dbraw/zinc/80/95/62/545809562.db2.gz KJXZPIDOJCKVRY-UHFFFAOYSA-N -1 3 318.340 2.895 20 0 DFADHM O=C(Nc1nc2ccccc2n1C1CC1)c1cccc2n[n-]nc21 ZINC000682163378 545809564 /nfs/dbraw/zinc/80/95/64/545809564.db2.gz KJXZPIDOJCKVRY-UHFFFAOYSA-N -1 3 318.340 2.895 20 0 DFADHM COc1cc(C(=O)NCC(C)(C)[C@@H]2CCCCO2)ccc1[O-] ZINC000682362412 545829856 /nfs/dbraw/zinc/82/98/56/545829856.db2.gz COGZRHCQIQSZMU-HNNXBMFYSA-N -1 3 307.390 2.726 20 0 DFADHM COc1ccc(NC(=O)CN(C)c2ccc(Cl)cn2)c([O-])c1 ZINC000682364405 545830855 /nfs/dbraw/zinc/83/08/55/545830855.db2.gz ONSNKCQZRUHIOG-UHFFFAOYSA-N -1 3 321.764 2.524 20 0 DFADHM CCN(C[C@H]1CCOC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000682476041 545857110 /nfs/dbraw/zinc/85/71/10/545857110.db2.gz FEHVFLKXGQCXEN-CQSZACIVSA-N -1 3 309.381 2.739 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])c1cnn(CC(F)(F)F)c1 ZINC000682516875 545865413 /nfs/dbraw/zinc/86/54/13/545865413.db2.gz JXQYLRKUZIWNMD-UHFFFAOYSA-N -1 3 303.215 2.542 20 0 DFADHM CCc1ccc([O-])c(C(=O)NC[C@H](c2ccnn2C)C(C)C)c1 ZINC000682686452 545897474 /nfs/dbraw/zinc/89/74/74/545897474.db2.gz YFKOBKOCQAMFAG-HNNXBMFYSA-N -1 3 315.417 2.858 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCO2)sc1Cl ZINC000682723129 545905631 /nfs/dbraw/zinc/90/56/31/545905631.db2.gz USFKDBOMFQVSCB-SECBINFHSA-N -1 3 309.840 2.557 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCN(CC)[C@@H](C)C2)c([O-])c1 ZINC000682809885 545919261 /nfs/dbraw/zinc/91/92/61/545919261.db2.gz PKZNSBAQHQJIHJ-AWEZNQCLSA-N -1 3 320.433 2.737 20 0 DFADHM CCCCOc1ccc(C(=O)N2CCC[C@H](CCO)C2)c([O-])c1 ZINC000682809764 545919366 /nfs/dbraw/zinc/91/93/66/545919366.db2.gz UKWUUGXKFOMDEP-CQSZACIVSA-N -1 3 321.417 2.806 20 0 DFADHM O=C([O-])[C@H](CNCc1cc(F)ccc1F)Cc1ccccc1 ZINC000683170874 545983986 /nfs/dbraw/zinc/98/39/86/545983986.db2.gz DMTIIEATFPHJLC-AWEZNQCLSA-N -1 3 305.324 2.998 20 0 DFADHM CC(C)[C@@H]1CN(Cc2nc3c(cnn3C)c(=O)[n-]2)c2ccccc21 ZINC000683681315 546076505 /nfs/dbraw/zinc/07/65/05/546076505.db2.gz VUZPAZBEAAFRKG-AWEZNQCLSA-N -1 3 323.400 2.829 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccoc1C ZINC000683759673 546089357 /nfs/dbraw/zinc/08/93/57/546089357.db2.gz YUQPZVWPSGCKAS-UHFFFAOYSA-N -1 3 315.778 2.729 20 0 DFADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1O ZINC000683926049 546122085 /nfs/dbraw/zinc/12/20/85/546122085.db2.gz GFVBKRZEQOWJDA-UHFFFAOYSA-N -1 3 320.414 2.876 20 0 DFADHM CO[C@@]1(C(F)(F)F)CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000684095428 546150681 /nfs/dbraw/zinc/15/06/81/546150681.db2.gz HHYICFRFRHGEDQ-GWCFXTLKSA-N -1 3 319.327 2.595 20 0 DFADHM CCOc1ccc([C@H](C)NC(=O)NCc2ncccc2[O-])cc1 ZINC000684250946 546181277 /nfs/dbraw/zinc/18/12/77/546181277.db2.gz ISCYJPMLJGKBRV-LBPRGKRZSA-N -1 3 315.373 2.746 20 0 DFADHM COCCN(Cc1ccc(C)cc1C)C(=O)c1csc(=O)[n-]1 ZINC000684256635 546182324 /nfs/dbraw/zinc/18/23/24/546182324.db2.gz LYCMULHPBSQAKU-UHFFFAOYSA-N -1 3 320.414 2.754 20 0 DFADHM COc1cncc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1 ZINC000685002058 546317610 /nfs/dbraw/zinc/31/76/10/546317610.db2.gz ZPDBFOKSDMKIEI-UHFFFAOYSA-N -1 3 312.778 2.853 20 0 DFADHM COc1cccc2c(C(=O)Nc3nnc(C4CC4)s3)[n-]nc21 ZINC000685418119 546346784 /nfs/dbraw/zinc/34/67/84/546346784.db2.gz ISVKHTOSNBTJRD-UHFFFAOYSA-N -1 3 315.358 2.553 20 0 DFADHM CCCC(=O)NC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000685614300 546375529 /nfs/dbraw/zinc/37/55/29/546375529.db2.gz DFYIYYZIVDFVCP-UHFFFAOYSA-N -1 3 324.808 2.567 20 0 DFADHM CC(C)c1cc(CNC(=O)c2c[n-]nc2-c2ccccn2)on1 ZINC000685740033 546386735 /nfs/dbraw/zinc/38/67/35/546386735.db2.gz GLWHHYVWQHUIHQ-UHFFFAOYSA-N -1 3 311.345 2.513 20 0 DFADHM O=C(Nc1ccc2c(c1)C(=O)NCC2)c1cc([O-])ccc1Cl ZINC000685745547 546387942 /nfs/dbraw/zinc/38/79/42/546387942.db2.gz QBRVYEVLFAHXGV-UHFFFAOYSA-N -1 3 316.744 2.584 20 0 DFADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H](C(F)(F)F)O1 ZINC000685768177 546388673 /nfs/dbraw/zinc/38/86/73/546388673.db2.gz FWRZKHKZOWWDMT-RDDDGLTNSA-N -1 3 323.698 2.837 20 0 DFADHM CCC(CC)[C@@H](O)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736338252 599436531 /nfs/dbraw/zinc/43/65/31/599436531.db2.gz RCDCYOZRTJLQLT-ZDUSSCGKSA-N -1 3 309.801 2.729 20 0 DFADHM CCC(CC)[C@@H](O)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736338252 599436534 /nfs/dbraw/zinc/43/65/34/599436534.db2.gz RCDCYOZRTJLQLT-ZDUSSCGKSA-N -1 3 309.801 2.729 20 0 DFADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)O[C@H]1C=CCCC1 ZINC000737946811 598845397 /nfs/dbraw/zinc/84/53/97/598845397.db2.gz FUZFFEHTYIRIGJ-LBPRGKRZSA-N -1 3 316.386 2.611 20 0 DFADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)O[C@H]1C=CCCC1 ZINC000737946811 598845399 /nfs/dbraw/zinc/84/53/99/598845399.db2.gz FUZFFEHTYIRIGJ-LBPRGKRZSA-N -1 3 316.386 2.611 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccccc1C ZINC000737061685 598850976 /nfs/dbraw/zinc/85/09/76/598850976.db2.gz CTBBMFLVHHRKDP-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccccc1C ZINC000737061685 598850979 /nfs/dbraw/zinc/85/09/79/598850979.db2.gz CTBBMFLVHHRKDP-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM CC(C)[C@H](C)CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735700990 598855513 /nfs/dbraw/zinc/85/55/13/598855513.db2.gz ISVROVXZVBLJIZ-MRVPVSSYSA-N -1 3 314.315 2.985 20 0 DFADHM CC(C)[C@H](C)CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735700990 598855514 /nfs/dbraw/zinc/85/55/14/598855514.db2.gz ISVROVXZVBLJIZ-MRVPVSSYSA-N -1 3 314.315 2.985 20 0 DFADHM Cc1noc(C)c1[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000737537865 598870525 /nfs/dbraw/zinc/87/05/25/598870525.db2.gz MJMPSTFBXYTVAE-SSDOTTSWSA-N -1 3 302.313 2.784 20 0 DFADHM C[C@H]1CCCCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736268429 598901482 /nfs/dbraw/zinc/90/14/82/598901482.db2.gz TYPFPLYGCFTIJQ-NSHDSACASA-N -1 3 316.434 2.828 20 0 DFADHM C[C@H]1CCCCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736268429 598901483 /nfs/dbraw/zinc/90/14/83/598901483.db2.gz TYPFPLYGCFTIJQ-NSHDSACASA-N -1 3 316.434 2.828 20 0 DFADHM C[C@@H](CC1CCCC1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735987300 598902819 /nfs/dbraw/zinc/90/28/19/598902819.db2.gz YBMIGOKEAHBZKJ-LBPRGKRZSA-N -1 3 313.405 2.699 20 0 DFADHM C[C@@H](CC1CCCC1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735987300 598902821 /nfs/dbraw/zinc/90/28/21/598902821.db2.gz YBMIGOKEAHBZKJ-LBPRGKRZSA-N -1 3 313.405 2.699 20 0 DFADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736259714 598906629 /nfs/dbraw/zinc/90/66/29/598906629.db2.gz GFXVGSVHNUPBKP-CHWSQXEVSA-N -1 3 313.405 2.813 20 0 DFADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736259714 598906631 /nfs/dbraw/zinc/90/66/31/598906631.db2.gz GFXVGSVHNUPBKP-CHWSQXEVSA-N -1 3 313.405 2.813 20 0 DFADHM CC[C@H]1c2ccccc2CCN1c1ncccc1-c1nnn[n-]1 ZINC000736408624 598913510 /nfs/dbraw/zinc/91/35/10/598913510.db2.gz FWHNIHZNZBDORF-HNNXBMFYSA-N -1 3 306.373 2.776 20 0 DFADHM CC[C@H]1c2ccccc2CCN1c1ncccc1-c1nn[n-]n1 ZINC000736408624 598913511 /nfs/dbraw/zinc/91/35/11/598913511.db2.gz FWHNIHZNZBDORF-HNNXBMFYSA-N -1 3 306.373 2.776 20 0 DFADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000738266512 598913826 /nfs/dbraw/zinc/91/38/26/598913826.db2.gz FYTILRITVCCZEY-SFHVURJKSA-N -1 3 323.400 2.829 20 0 DFADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000738266512 598913827 /nfs/dbraw/zinc/91/38/27/598913827.db2.gz FYTILRITVCCZEY-SFHVURJKSA-N -1 3 323.400 2.829 20 0 DFADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000738253167 598913853 /nfs/dbraw/zinc/91/38/53/598913853.db2.gz AMQBAFLDDUDGFW-SFHVURJKSA-N -1 3 323.400 2.829 20 0 DFADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000738253167 598913854 /nfs/dbraw/zinc/91/38/54/598913854.db2.gz AMQBAFLDDUDGFW-SFHVURJKSA-N -1 3 323.400 2.829 20 0 DFADHM CN(c1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCc2ccccc2C1 ZINC000736842460 598914511 /nfs/dbraw/zinc/91/45/11/598914511.db2.gz SGVBBXJQIFUMNL-OAHLLOKOSA-N -1 3 323.375 3.000 20 0 DFADHM CC(C)[C@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735749675 598927180 /nfs/dbraw/zinc/92/71/80/598927180.db2.gz ODOYVDNXOGAAAI-ZDUSSCGKSA-N -1 3 313.405 2.765 20 0 DFADHM CC(C)[C@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735749675 598927181 /nfs/dbraw/zinc/92/71/81/598927181.db2.gz ODOYVDNXOGAAAI-ZDUSSCGKSA-N -1 3 313.405 2.765 20 0 DFADHM Fc1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000737656141 598935238 /nfs/dbraw/zinc/93/52/38/598935238.db2.gz KEZVEOOCZIDZNG-UHFFFAOYSA-N -1 3 309.663 2.986 20 0 DFADHM Fc1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000737656141 598935240 /nfs/dbraw/zinc/93/52/40/598935240.db2.gz KEZVEOOCZIDZNG-UHFFFAOYSA-N -1 3 309.663 2.986 20 0 DFADHM FC(F)(F)SCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737628634 598938072 /nfs/dbraw/zinc/93/80/72/598938072.db2.gz ZKVYSQHQZBVWFS-UHFFFAOYSA-N -1 3 324.719 2.580 20 0 DFADHM FC(F)(F)SCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737628634 598938074 /nfs/dbraw/zinc/93/80/74/598938074.db2.gz ZKVYSQHQZBVWFS-UHFFFAOYSA-N -1 3 324.719 2.580 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1NC[C@H]1Cc2ccccc21 ZINC000737557088 598938482 /nfs/dbraw/zinc/93/84/82/598938482.db2.gz BMLWSTBXSBBELV-SNVBAGLBSA-N -1 3 312.764 2.667 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1NC[C@H]1Cc2ccccc21 ZINC000737557088 598938483 /nfs/dbraw/zinc/93/84/83/598938483.db2.gz BMLWSTBXSBBELV-SNVBAGLBSA-N -1 3 312.764 2.667 20 0 DFADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CC=CC1 ZINC000735875611 598939435 /nfs/dbraw/zinc/93/94/35/598939435.db2.gz WVAKVHKXYQPXGB-UHFFFAOYSA-N -1 3 311.389 2.570 20 0 DFADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CC=CC1 ZINC000735875611 598939436 /nfs/dbraw/zinc/93/94/36/598939436.db2.gz WVAKVHKXYQPXGB-UHFFFAOYSA-N -1 3 311.389 2.570 20 0 DFADHM CC[C@@H]1CCC[C@H](NC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736400163 598942576 /nfs/dbraw/zinc/94/25/76/598942576.db2.gz MOXFDDQAVWULBP-ZJUUUORDSA-N -1 3 305.407 2.627 20 0 DFADHM CC[C@@H]1CCC[C@H](NC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736400163 598942578 /nfs/dbraw/zinc/94/25/78/598942578.db2.gz MOXFDDQAVWULBP-ZJUUUORDSA-N -1 3 305.407 2.627 20 0 DFADHM C[C@@H]1C[C@@H](C)N(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736225764 598971863 /nfs/dbraw/zinc/97/18/63/598971863.db2.gz DEJVLPDYGUGIBM-HTQZYQBOSA-N -1 3 312.299 2.515 20 0 DFADHM C[C@@H]1C[C@@H](C)N(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736225764 598971865 /nfs/dbraw/zinc/97/18/65/598971865.db2.gz DEJVLPDYGUGIBM-HTQZYQBOSA-N -1 3 312.299 2.515 20 0 DFADHM CC(C)CC[C@@](C)(O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735796479 598974698 /nfs/dbraw/zinc/97/46/98/598974698.db2.gz CFDUMPCHVURKBJ-CQSZACIVSA-N -1 3 324.816 2.514 20 0 DFADHM CC(C)CC[C@@](C)(O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735796479 598974700 /nfs/dbraw/zinc/97/47/00/598974700.db2.gz CFDUMPCHVURKBJ-CQSZACIVSA-N -1 3 324.816 2.514 20 0 DFADHM CC[C@@H](C)[C@@H](NC(=O)CN(C)CCC1CCCCC1)C(=O)[O-] ZINC000736878834 599719770 /nfs/dbraw/zinc/71/97/70/599719770.db2.gz NHDRUANGTUHNQC-CZUORRHYSA-N -1 3 312.454 2.504 20 0 DFADHM CC[C@@H](C)[C@H](NC(=O)CN(C)CCC1CCCCC1)C(=O)[O-] ZINC000736878832 599719936 /nfs/dbraw/zinc/71/99/36/599719936.db2.gz NHDRUANGTUHNQC-CJNGLKHVSA-N -1 3 312.454 2.504 20 0 DFADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000736007789 599007037 /nfs/dbraw/zinc/00/70/37/599007037.db2.gz DXBZBCZBKQPWDT-PRDAAYKISA-N -1 3 313.405 2.678 20 0 DFADHM C[C@@H](CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000736007789 599007039 /nfs/dbraw/zinc/00/70/39/599007039.db2.gz DXBZBCZBKQPWDT-PRDAAYKISA-N -1 3 313.405 2.678 20 0 DFADHM C[C@@H](SCCc1cnn(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192501 599008919 /nfs/dbraw/zinc/00/89/19/599008919.db2.gz ZRBNQSUVQJHLGX-LLVKDONJSA-N -1 3 314.418 2.637 20 0 DFADHM C[C@@H](SCCc1cnn(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192501 599008920 /nfs/dbraw/zinc/00/89/20/599008920.db2.gz ZRBNQSUVQJHLGX-LLVKDONJSA-N -1 3 314.418 2.637 20 0 DFADHM C[C@@H]1CCC[C@H](CCNC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736252121 599016719 /nfs/dbraw/zinc/01/67/19/599016719.db2.gz PKZFXODTADNBGB-GHMZBOCLSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@@H]1CCC[C@H](CCNC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736252121 599016721 /nfs/dbraw/zinc/01/67/21/599016721.db2.gz PKZFXODTADNBGB-GHMZBOCLSA-N -1 3 319.434 2.874 20 0 DFADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736227992 599019417 /nfs/dbraw/zinc/01/94/17/599019417.db2.gz MUDMOAAGVPDYMR-DTWKUNHWSA-N -1 3 320.784 2.782 20 0 DFADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736227992 599019419 /nfs/dbraw/zinc/01/94/19/599019419.db2.gz MUDMOAAGVPDYMR-DTWKUNHWSA-N -1 3 320.784 2.782 20 0 DFADHM COc1ccc(CCNc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821790776 607257339 /nfs/dbraw/zinc/25/73/39/607257339.db2.gz TXHDXZIHRSBRMM-UHFFFAOYSA-N -1 3 309.373 2.838 20 0 DFADHM COc1ccc(CCNc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821790776 607257340 /nfs/dbraw/zinc/25/73/40/607257340.db2.gz TXHDXZIHRSBRMM-UHFFFAOYSA-N -1 3 309.373 2.838 20 0 DFADHM c1c2c(nc(N3CCC4(C3)CCCCC4)c1-c1nnn[n-]1)CCC2 ZINC000823738142 599051624 /nfs/dbraw/zinc/05/16/24/599051624.db2.gz NVSVQKVGMWEORO-UHFFFAOYSA-N -1 3 324.432 2.911 20 0 DFADHM c1c2c(nc(N3CCC4(C3)CCCCC4)c1-c1nn[n-]n1)CCC2 ZINC000823738142 599051627 /nfs/dbraw/zinc/05/16/27/599051627.db2.gz NVSVQKVGMWEORO-UHFFFAOYSA-N -1 3 324.432 2.911 20 0 DFADHM Cc1c(NCc2noc3c2CCCC3)cccc1-c1nnn[n-]1 ZINC000822122559 607258044 /nfs/dbraw/zinc/25/80/44/607258044.db2.gz NWYKKVPKWGCYJP-UHFFFAOYSA-N -1 3 310.361 2.654 20 0 DFADHM Cc1c(NCc2noc3c2CCCC3)cccc1-c1nn[n-]n1 ZINC000822122559 607258045 /nfs/dbraw/zinc/25/80/45/607258045.db2.gz NWYKKVPKWGCYJP-UHFFFAOYSA-N -1 3 310.361 2.654 20 0 DFADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000820766674 599074686 /nfs/dbraw/zinc/07/46/86/599074686.db2.gz CERMTAFMWGIYEF-IUCAKERBSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820766674 599074688 /nfs/dbraw/zinc/07/46/88/599074688.db2.gz CERMTAFMWGIYEF-IUCAKERBSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H](C)S1 ZINC000820767633 599075021 /nfs/dbraw/zinc/07/50/21/599075021.db2.gz JCOXCOOCNHBYRW-DTORHVGOSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H](C)S1 ZINC000820767633 599075024 /nfs/dbraw/zinc/07/50/24/599075024.db2.gz JCOXCOOCNHBYRW-DTORHVGOSA-N -1 3 309.826 2.850 20 0 DFADHM C[C@H]1C[C@H](c2ccccc2F)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820668790 599077579 /nfs/dbraw/zinc/07/75/79/599077579.db2.gz WNTFRTMWYXACOV-XHDPSFHLSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@H]1C[C@H](c2ccccc2F)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820668790 599077582 /nfs/dbraw/zinc/07/75/82/599077582.db2.gz WNTFRTMWYXACOV-XHDPSFHLSA-N -1 3 324.363 2.988 20 0 DFADHM CC(C)Cn1cc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000820107774 599084519 /nfs/dbraw/zinc/08/45/19/599084519.db2.gz BOWGYKKWXODTEV-UHFFFAOYSA-N -1 3 318.772 2.511 20 0 DFADHM CC(C)Cn1cc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000820107774 599084520 /nfs/dbraw/zinc/08/45/20/599084520.db2.gz BOWGYKKWXODTEV-UHFFFAOYSA-N -1 3 318.772 2.511 20 0 DFADHM CN(CCc1cccs1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821607137 599087640 /nfs/dbraw/zinc/08/76/40/599087640.db2.gz ANQYEHNVYZRIBQ-UHFFFAOYSA-N -1 3 303.366 2.746 20 0 DFADHM CN(CCc1cccs1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821607137 599087643 /nfs/dbraw/zinc/08/76/43/599087643.db2.gz ANQYEHNVYZRIBQ-UHFFFAOYSA-N -1 3 303.366 2.746 20 0 DFADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738018433 599096480 /nfs/dbraw/zinc/09/64/80/599096480.db2.gz ARRYYQICRBQQQW-LSDHHAIUSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738018433 599096482 /nfs/dbraw/zinc/09/64/82/599096482.db2.gz ARRYYQICRBQQQW-LSDHHAIUSA-N -1 3 311.389 2.565 20 0 DFADHM CC(C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2F)CCS1 ZINC000820046802 599097605 /nfs/dbraw/zinc/09/76/05/599097605.db2.gz UOBSBXSVSFQIIP-ZDUSSCGKSA-N -1 3 307.398 2.584 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCC(F)(F)F ZINC000822337319 599103502 /nfs/dbraw/zinc/10/35/02/599103502.db2.gz XCWGDMBGFHYLCN-UHFFFAOYSA-N -1 3 322.294 2.510 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCC(F)(F)F ZINC000822337319 599103505 /nfs/dbraw/zinc/10/35/05/599103505.db2.gz XCWGDMBGFHYLCN-UHFFFAOYSA-N -1 3 322.294 2.510 20 0 DFADHM CCSCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000821461752 599107848 /nfs/dbraw/zinc/10/78/48/599107848.db2.gz SMGROZFRQSOBAA-MRVPVSSYSA-N -1 3 312.830 2.859 20 0 DFADHM CCSCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000821461752 599107851 /nfs/dbraw/zinc/10/78/51/599107851.db2.gz SMGROZFRQSOBAA-MRVPVSSYSA-N -1 3 312.830 2.859 20 0 DFADHM CCO[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)C12CCC2 ZINC000736611989 599120065 /nfs/dbraw/zinc/12/00/65/599120065.db2.gz LDTCHJKVRDYBOZ-UONOGXRCSA-N -1 3 317.368 2.765 20 0 DFADHM C[C@@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)C(C)(C)C ZINC000735571861 599144068 /nfs/dbraw/zinc/14/40/68/599144068.db2.gz LGUKDIGTKNSZRB-VIFPVBQESA-N -1 3 306.341 2.731 20 0 DFADHM C[C@@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)C(C)(C)C ZINC000735571861 599144072 /nfs/dbraw/zinc/14/40/72/599144072.db2.gz LGUKDIGTKNSZRB-VIFPVBQESA-N -1 3 306.341 2.731 20 0 DFADHM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737419940 599161650 /nfs/dbraw/zinc/16/16/50/599161650.db2.gz GSNDNOVOVKFODK-GFCCVEGCSA-N -1 3 322.372 2.702 20 0 DFADHM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737419940 599161651 /nfs/dbraw/zinc/16/16/51/599161651.db2.gz GSNDNOVOVKFODK-GFCCVEGCSA-N -1 3 322.372 2.702 20 0 DFADHM O=C(CC1=CCCCC1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822940826 599167069 /nfs/dbraw/zinc/16/70/69/599167069.db2.gz GAAIZKZITSSNNB-UHFFFAOYSA-N -1 3 315.352 2.513 20 0 DFADHM O=C(CC1=CCCCC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822940826 599167070 /nfs/dbraw/zinc/16/70/70/599167070.db2.gz GAAIZKZITSSNNB-UHFFFAOYSA-N -1 3 315.352 2.513 20 0 DFADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000821034013 599195165 /nfs/dbraw/zinc/19/51/65/599195165.db2.gz HOADDVUSUFGUNG-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000821034013 599195167 /nfs/dbraw/zinc/19/51/67/599195167.db2.gz HOADDVUSUFGUNG-JQWIXIFHSA-N -1 3 319.434 2.969 20 0 DFADHM CCC/C=C\C(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC ZINC000736438709 599218352 /nfs/dbraw/zinc/21/83/52/599218352.db2.gz KCKGUTLHOHLJPI-SREVYHEPSA-N -1 3 302.334 2.527 20 0 DFADHM CCC/C=C\C(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC ZINC000736438709 599218353 /nfs/dbraw/zinc/21/83/53/599218353.db2.gz KCKGUTLHOHLJPI-SREVYHEPSA-N -1 3 302.334 2.527 20 0 DFADHM CC[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000736401346 599230453 /nfs/dbraw/zinc/23/04/53/599230453.db2.gz IQNIIKFXIHBPNO-JTQLQIEISA-N -1 3 306.801 2.932 20 0 DFADHM CC[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000736401346 599230456 /nfs/dbraw/zinc/23/04/56/599230456.db2.gz IQNIIKFXIHBPNO-JTQLQIEISA-N -1 3 306.801 2.932 20 0 DFADHM CC[C@@H]1CCCN(c2nc(C)cc(C)c2-c2nnn[n-]2)CC1 ZINC000736402542 599230776 /nfs/dbraw/zinc/23/07/76/599230776.db2.gz NMJQNRQCAQBUDG-CYBMUJFWSA-N -1 3 300.410 2.895 20 0 DFADHM CC[C@@H]1CCCN(c2nc(C)cc(C)c2-c2nn[n-]n2)CC1 ZINC000736402542 599230777 /nfs/dbraw/zinc/23/07/77/599230777.db2.gz NMJQNRQCAQBUDG-CYBMUJFWSA-N -1 3 300.410 2.895 20 0 DFADHM Brc1ccc(NCc2ccco2)c(-c2nnn[n-]2)c1 ZINC000735369501 599360869 /nfs/dbraw/zinc/36/08/69/599360869.db2.gz VTGSEIODHGYLOW-UHFFFAOYSA-N -1 3 320.150 2.834 20 0 DFADHM Brc1ccc(NCc2ccco2)c(-c2nn[n-]n2)c1 ZINC000735369501 599360871 /nfs/dbraw/zinc/36/08/71/599360871.db2.gz VTGSEIODHGYLOW-UHFFFAOYSA-N -1 3 320.150 2.834 20 0 DFADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736402911 599239764 /nfs/dbraw/zinc/23/97/64/599239764.db2.gz QAVNFRXFABHAFV-GFCCVEGCSA-N -1 3 314.393 2.911 20 0 DFADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736402911 599239766 /nfs/dbraw/zinc/23/97/66/599239766.db2.gz QAVNFRXFABHAFV-GFCCVEGCSA-N -1 3 314.393 2.911 20 0 DFADHM Cc1cc(F)cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822203514 607269903 /nfs/dbraw/zinc/26/99/03/607269903.db2.gz XPDVTFPCOOOKHK-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1cc(F)cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822203514 607269904 /nfs/dbraw/zinc/26/99/04/607269904.db2.gz XPDVTFPCOOOKHK-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1c(NC(=O)C=Cc2cccs2)cccc1-c1nnn[n-]1 ZINC000822067505 607270459 /nfs/dbraw/zinc/27/04/59/607270459.db2.gz KKEQGTLDVAKAGF-FPLPWBNLSA-N -1 3 311.370 2.889 20 0 DFADHM Cc1c(NC(=O)C=Cc2cccs2)cccc1-c1nn[n-]n1 ZINC000822067505 607270460 /nfs/dbraw/zinc/27/04/60/607270460.db2.gz KKEQGTLDVAKAGF-FPLPWBNLSA-N -1 3 311.370 2.889 20 0 DFADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000818053037 597244721 /nfs/dbraw/zinc/24/47/21/597244721.db2.gz MKKOUFZJFZWRQW-AMXDTQDGSA-N -1 3 317.410 2.973 20 0 DFADHM CC[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820979403 607287980 /nfs/dbraw/zinc/28/79/80/607287980.db2.gz HSOFDXXFBNMUNC-NSHDSACASA-N -1 3 300.366 2.581 20 0 DFADHM CC[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820979403 607287981 /nfs/dbraw/zinc/28/79/81/607287981.db2.gz HSOFDXXFBNMUNC-NSHDSACASA-N -1 3 300.366 2.581 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CCC[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822091438 607283473 /nfs/dbraw/zinc/28/34/73/607283473.db2.gz RDRZINNCVILCFC-PWSUYJOCSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CCC[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822091438 607283474 /nfs/dbraw/zinc/28/34/74/607283474.db2.gz RDRZINNCVILCFC-PWSUYJOCSA-N -1 3 314.393 2.875 20 0 DFADHM CCC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCC1 ZINC000820962325 607283561 /nfs/dbraw/zinc/28/35/61/607283561.db2.gz OJGDSHNNYVFWDS-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM CCC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCC1 ZINC000820962325 607283562 /nfs/dbraw/zinc/28/35/62/607283562.db2.gz OJGDSHNNYVFWDS-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000737342721 599256207 /nfs/dbraw/zinc/25/62/07/599256207.db2.gz ODRUNEIMYVFXGL-UHFFFAOYSA-N -1 3 316.368 2.757 20 0 DFADHM Cc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000737342721 599256209 /nfs/dbraw/zinc/25/62/09/599256209.db2.gz ODRUNEIMYVFXGL-UHFFFAOYSA-N -1 3 316.368 2.757 20 0 DFADHM Cc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000737428927 599257048 /nfs/dbraw/zinc/25/70/48/599257048.db2.gz YATPNJBHMMEKTM-UHFFFAOYSA-N -1 3 316.368 2.757 20 0 DFADHM Cc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000737428927 599257049 /nfs/dbraw/zinc/25/70/49/599257049.db2.gz YATPNJBHMMEKTM-UHFFFAOYSA-N -1 3 316.368 2.757 20 0 DFADHM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000821537559 597362821 /nfs/dbraw/zinc/36/28/21/597362821.db2.gz JGBDOODWXMSKJR-INIZCTEOSA-N -1 3 316.401 2.659 20 0 DFADHM Cc1c(NC(=O)NC2(C)CCCC2)cccc1-c1nnn[n-]1 ZINC000822090976 607286835 /nfs/dbraw/zinc/28/68/35/607286835.db2.gz MWAGGACOZQISOD-UHFFFAOYSA-N -1 3 300.366 2.629 20 0 DFADHM Cc1c(NC(=O)NC2(C)CCCC2)cccc1-c1nn[n-]n1 ZINC000822090976 607286836 /nfs/dbraw/zinc/28/68/36/607286836.db2.gz MWAGGACOZQISOD-UHFFFAOYSA-N -1 3 300.366 2.629 20 0 DFADHM Cc1c(NC(=O)c2scnc2Cl)cccc1-c1nnn[n-]1 ZINC000822115652 607294318 /nfs/dbraw/zinc/29/43/18/607294318.db2.gz HAXDMXYIAQZSRJ-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1c(NC(=O)c2scnc2Cl)cccc1-c1nn[n-]n1 ZINC000822115652 607294319 /nfs/dbraw/zinc/29/43/19/607294319.db2.gz HAXDMXYIAQZSRJ-UHFFFAOYSA-N -1 3 320.765 2.537 20 0 DFADHM Cc1c(NC(=O)[C@H](C)c2ccsc2)cccc1-c1nnn[n-]1 ZINC000822060127 607296438 /nfs/dbraw/zinc/29/64/38/607296438.db2.gz FSSOMKZWZPDCOT-SECBINFHSA-N -1 3 313.386 2.979 20 0 DFADHM Cc1c(NC(=O)[C@H](C)c2ccsc2)cccc1-c1nn[n-]n1 ZINC000822060127 607296439 /nfs/dbraw/zinc/29/64/39/607296439.db2.gz FSSOMKZWZPDCOT-SECBINFHSA-N -1 3 313.386 2.979 20 0 DFADHM O[C@H]1CCCC[C@H]1CCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000823706732 607306594 /nfs/dbraw/zinc/30/65/94/607306594.db2.gz OGEGQCIHDCHDFK-FZMZJTMJSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@H]1CCCC[C@H]1CCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000823706732 607306595 /nfs/dbraw/zinc/30/65/95/607306595.db2.gz OGEGQCIHDCHDFK-FZMZJTMJSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@H]1CCCC[C@@H]1CCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000823706805 607306755 /nfs/dbraw/zinc/30/67/55/607306755.db2.gz PDHKXFVDSDNVMA-ABAIWWIYSA-N -1 3 319.384 2.749 20 0 DFADHM O[C@H]1CCCC[C@@H]1CCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000823706805 607306756 /nfs/dbraw/zinc/30/67/56/607306756.db2.gz PDHKXFVDSDNVMA-ABAIWWIYSA-N -1 3 319.384 2.749 20 0 DFADHM CCc1ccccc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821492903 607308001 /nfs/dbraw/zinc/30/80/01/607308001.db2.gz YZKNLQSQKDMBKQ-GFCCVEGCSA-N -1 3 321.384 2.920 20 0 DFADHM CCc1ccccc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821492903 607308002 /nfs/dbraw/zinc/30/80/02/607308002.db2.gz YZKNLQSQKDMBKQ-GFCCVEGCSA-N -1 3 321.384 2.920 20 0 DFADHM COc1c(F)cc(F)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821698531 607315879 /nfs/dbraw/zinc/31/58/79/607315879.db2.gz NQDZHXKLWBUVET-UHFFFAOYSA-N -1 3 323.328 2.827 20 0 DFADHM COc1c(F)cc(F)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821698531 607315880 /nfs/dbraw/zinc/31/58/80/607315880.db2.gz NQDZHXKLWBUVET-UHFFFAOYSA-N -1 3 323.328 2.827 20 0 DFADHM COCCN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821690276 607304518 /nfs/dbraw/zinc/30/45/18/607304518.db2.gz DBHCCAHNTVOPPI-UHFFFAOYSA-N -1 3 309.373 2.520 20 0 DFADHM FCCOc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822736225 607318998 /nfs/dbraw/zinc/31/89/98/607318998.db2.gz AVQCYIXUWXWPIH-UHFFFAOYSA-N -1 3 319.365 2.889 20 0 DFADHM FCCOc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822736225 607318999 /nfs/dbraw/zinc/31/89/99/607318999.db2.gz AVQCYIXUWXWPIH-UHFFFAOYSA-N -1 3 319.365 2.889 20 0 DFADHM Cc1cccc2nc(COc3ccc(-c4nnn[n-]4)c(F)c3)cn21 ZINC000737417695 599289970 /nfs/dbraw/zinc/28/99/70/599289970.db2.gz KBSIEAINBOENQB-UHFFFAOYSA-N -1 3 324.319 2.541 20 0 DFADHM Cc1cccc2nc(COc3ccc(-c4nn[n-]n4)c(F)c3)cn21 ZINC000737417695 599289972 /nfs/dbraw/zinc/28/99/72/599289972.db2.gz KBSIEAINBOENQB-UHFFFAOYSA-N -1 3 324.319 2.541 20 0 DFADHM O=C([O-])C1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000821511167 598121611 /nfs/dbraw/zinc/12/16/11/598121611.db2.gz CRSXGIIGVYQMNH-UHFFFAOYSA-N -1 3 306.381 2.723 20 0 DFADHM Cc1cn(Cc2ccc(OC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000822384111 607330548 /nfs/dbraw/zinc/33/05/48/607330548.db2.gz IQGNMFJMSIEHNQ-UHFFFAOYSA-N -1 3 323.278 2.924 20 0 DFADHM Cc1cn(Cc2ccc(OC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000822384111 607330549 /nfs/dbraw/zinc/33/05/49/607330549.db2.gz IQGNMFJMSIEHNQ-UHFFFAOYSA-N -1 3 323.278 2.924 20 0 DFADHM COc1ccc(F)cc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000821827442 607332710 /nfs/dbraw/zinc/33/27/10/607332710.db2.gz AQSDRHHRYRFGHA-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM O=C([O-])C1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000821511873 598145560 /nfs/dbraw/zinc/14/55/60/598145560.db2.gz UOEKHGPKEKGNRO-AWEZNQCLSA-N -1 3 322.792 2.630 20 0 DFADHM CCC1(C)CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000736396883 598231305 /nfs/dbraw/zinc/23/13/05/598231305.db2.gz PONRZCOMTFALMW-UHFFFAOYSA-N -1 3 305.407 2.581 20 0 DFADHM CCC1(C)CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000736396883 598231306 /nfs/dbraw/zinc/23/13/06/598231306.db2.gz PONRZCOMTFALMW-UHFFFAOYSA-N -1 3 305.407 2.581 20 0 DFADHM C[C@@H]1Cc2ccccc2N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736299017 598239018 /nfs/dbraw/zinc/23/90/18/598239018.db2.gz RNBVZUFRNKTFFY-GFCCVEGCSA-N -1 3 319.368 2.706 20 0 DFADHM C[C@@H]1Cc2ccccc2N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736299017 598239019 /nfs/dbraw/zinc/23/90/19/598239019.db2.gz RNBVZUFRNKTFFY-GFCCVEGCSA-N -1 3 319.368 2.706 20 0 DFADHM CC[C@H](C)[C@H](C)N(C(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736329240 598240616 /nfs/dbraw/zinc/24/06/16/598240616.db2.gz JIGSCSBBOUBBOD-RYUDHWBXSA-N -1 3 313.405 2.906 20 0 DFADHM CC[C@H](C)[C@H](C)N(C(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736329240 598240618 /nfs/dbraw/zinc/24/06/18/598240618.db2.gz JIGSCSBBOUBBOD-RYUDHWBXSA-N -1 3 313.405 2.906 20 0 DFADHM O=C(CC1CCCCC1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737818924 598305034 /nfs/dbraw/zinc/30/50/34/598305034.db2.gz GHCSODUOKMTAER-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM O=C(CC1CCCCC1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737818924 598305036 /nfs/dbraw/zinc/30/50/36/598305036.db2.gz GHCSODUOKMTAER-UHFFFAOYSA-N -1 3 317.368 2.592 20 0 DFADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736367516 598312401 /nfs/dbraw/zinc/31/24/01/598312401.db2.gz BFJVTWWRAVDZTI-OAHLLOKOSA-N -1 3 322.372 2.696 20 0 DFADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736367516 598312403 /nfs/dbraw/zinc/31/24/03/598312403.db2.gz BFJVTWWRAVDZTI-OAHLLOKOSA-N -1 3 322.372 2.696 20 0 DFADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737509512 598340021 /nfs/dbraw/zinc/34/00/21/598340021.db2.gz GSAHROXYTGFCHF-HNNXBMFYSA-N -1 3 323.404 2.559 20 0 DFADHM Cc1cc(F)ccc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000822204126 607351448 /nfs/dbraw/zinc/35/14/48/607351448.db2.gz FLBWAMYJWWDQDS-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cc(F)ccc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000822204126 607351450 /nfs/dbraw/zinc/35/14/50/607351450.db2.gz FLBWAMYJWWDQDS-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccccc2)CC1 ZINC000738151631 598358907 /nfs/dbraw/zinc/35/89/07/598358907.db2.gz NQHCNJKHWBDHDR-UHFFFAOYSA-N -1 3 320.356 2.678 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccccc2)CC1 ZINC000738151631 598358909 /nfs/dbraw/zinc/35/89/09/598358909.db2.gz NQHCNJKHWBDHDR-UHFFFAOYSA-N -1 3 320.356 2.678 20 0 DFADHM Fc1c(CSC[C@@H]2CCCOC2)cccc1-c1nnn[n-]1 ZINC000826370779 608404622 /nfs/dbraw/zinc/40/46/22/608404622.db2.gz HCUHCYZGAFOAPW-SNVBAGLBSA-N -1 3 308.382 2.666 20 0 DFADHM Fc1c(CSC[C@@H]2CCCOC2)cccc1-c1nn[n-]n1 ZINC000826370779 608404624 /nfs/dbraw/zinc/40/46/24/608404624.db2.gz HCUHCYZGAFOAPW-SNVBAGLBSA-N -1 3 308.382 2.666 20 0 DFADHM Cc1cccc(CN(C)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737393452 598391635 /nfs/dbraw/zinc/39/16/35/598391635.db2.gz JEHARMRYYPMQQI-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Cc1cccc(CN(C)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737393452 598391637 /nfs/dbraw/zinc/39/16/37/598391637.db2.gz JEHARMRYYPMQQI-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM CC(C)(C)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735650288 598435047 /nfs/dbraw/zinc/43/50/47/598435047.db2.gz NUKCEQZAOIXUNQ-UHFFFAOYSA-N -1 3 323.356 2.778 20 0 DFADHM CC(C)(C)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735650288 598435049 /nfs/dbraw/zinc/43/50/49/598435049.db2.gz NUKCEQZAOIXUNQ-UHFFFAOYSA-N -1 3 323.356 2.778 20 0 DFADHM CC(C)C[C@@H](CCO)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820056742 599686208 /nfs/dbraw/zinc/68/62/08/599686208.db2.gz RMJVMVQBVNCJPM-LLVKDONJSA-N -1 3 323.828 2.977 20 0 DFADHM CC(C)C[C@@H](CCO)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820056742 599686209 /nfs/dbraw/zinc/68/62/09/599686209.db2.gz RMJVMVQBVNCJPM-LLVKDONJSA-N -1 3 323.828 2.977 20 0 DFADHM CCN(C(=O)c1sccc1-c1nnn[n-]1)[C@@H]1CCCC[C@H]1C ZINC000736507110 598445954 /nfs/dbraw/zinc/44/59/54/598445954.db2.gz ADWOACLECKGYAC-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM CCN(C(=O)c1sccc1-c1nn[n-]n1)[C@@H]1CCCC[C@H]1C ZINC000736507110 598445955 /nfs/dbraw/zinc/44/59/55/598445955.db2.gz ADWOACLECKGYAC-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM CCOc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000736627024 598446801 /nfs/dbraw/zinc/44/68/01/598446801.db2.gz XBJYDFNABZEGNI-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM CCOc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000736627024 598446803 /nfs/dbraw/zinc/44/68/03/598446803.db2.gz XBJYDFNABZEGNI-UHFFFAOYSA-N -1 3 323.356 2.826 20 0 DFADHM C[C@H](C1CC1)n1nccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735963697 598466520 /nfs/dbraw/zinc/46/65/20/598466520.db2.gz JZPDXVRNODSYJS-LLVKDONJSA-N -1 3 309.377 2.646 20 0 DFADHM C[C@H](C1CC1)n1nccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735963697 598466521 /nfs/dbraw/zinc/46/65/21/598466521.db2.gz JZPDXVRNODSYJS-LLVKDONJSA-N -1 3 309.377 2.646 20 0 DFADHM CCCCCCOCC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736448412 598475264 /nfs/dbraw/zinc/47/52/64/598475264.db2.gz XQQHTZKRXWPJGE-UHFFFAOYSA-N -1 3 318.377 2.507 20 0 DFADHM CCCCCCOCC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736448412 598475266 /nfs/dbraw/zinc/47/52/66/598475266.db2.gz XQQHTZKRXWPJGE-UHFFFAOYSA-N -1 3 318.377 2.507 20 0 DFADHM Cc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000737314411 598483683 /nfs/dbraw/zinc/48/36/83/598483683.db2.gz CQQRPWOYGLOMDM-LBPRGKRZSA-N -1 3 323.356 2.797 20 0 DFADHM Cc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000737314411 598483685 /nfs/dbraw/zinc/48/36/85/598483685.db2.gz CQQRPWOYGLOMDM-LBPRGKRZSA-N -1 3 323.356 2.797 20 0 DFADHM C[C@@H](OC(=O)Cc1ccsc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155237 598485693 /nfs/dbraw/zinc/48/56/93/598485693.db2.gz KMHDKRVUFWJPGN-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM C[C@@H](OC(=O)Cc1ccsc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155237 598485694 /nfs/dbraw/zinc/48/56/94/598485694.db2.gz KMHDKRVUFWJPGN-SNVBAGLBSA-N -1 3 314.370 2.775 20 0 DFADHM Cc1csc(=Nc2ccccc2-c2nnn[n-]2)n1[C@H]1C[C@H]1C ZINC000737456382 598497112 /nfs/dbraw/zinc/49/71/12/598497112.db2.gz FKGJZXSVMCLSRS-RNCFNFMXSA-N -1 3 312.402 2.851 20 0 DFADHM Cc1csc(=Nc2ccccc2-c2nn[n-]n2)n1[C@H]1C[C@H]1C ZINC000737456382 598497114 /nfs/dbraw/zinc/49/71/14/598497114.db2.gz FKGJZXSVMCLSRS-RNCFNFMXSA-N -1 3 312.402 2.851 20 0 DFADHM C[C@H]1C[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736239708 598500941 /nfs/dbraw/zinc/50/09/41/598500941.db2.gz TUVYULOWDFXOKW-MEDUHNTESA-N -1 3 319.368 2.672 20 0 DFADHM C[C@H]1C[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736239708 598500942 /nfs/dbraw/zinc/50/09/42/598500942.db2.gz TUVYULOWDFXOKW-MEDUHNTESA-N -1 3 319.368 2.672 20 0 DFADHM CCCO[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736487713 598503227 /nfs/dbraw/zinc/50/32/27/598503227.db2.gz HWXMWOOFCVVRFF-OAHLLOKOSA-N -1 3 301.394 2.652 20 0 DFADHM Cc1nc(C)c(CCNc2cccc(F)c2-c2nnn[n-]2)s1 ZINC000737472978 598503970 /nfs/dbraw/zinc/50/39/70/598503970.db2.gz CMIBVFNIXSCMRM-UHFFFAOYSA-N -1 3 318.381 2.734 20 0 DFADHM Cc1nc(C)c(CCNc2cccc(F)c2-c2nn[n-]n2)s1 ZINC000737472978 598503971 /nfs/dbraw/zinc/50/39/71/598503971.db2.gz CMIBVFNIXSCMRM-UHFFFAOYSA-N -1 3 318.381 2.734 20 0 DFADHM CC[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736352591 598517901 /nfs/dbraw/zinc/51/79/01/598517901.db2.gz SYDZRVJOZYTUTD-MRXNPFEDSA-N -1 3 321.384 2.618 20 0 DFADHM CC[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736352591 598517902 /nfs/dbraw/zinc/51/79/02/598517902.db2.gz SYDZRVJOZYTUTD-MRXNPFEDSA-N -1 3 321.384 2.618 20 0 DFADHM COc1ccccc1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000737146184 598522721 /nfs/dbraw/zinc/52/27/21/598522721.db2.gz HLPBPXVSCXAEIC-AWEZNQCLSA-N -1 3 322.372 2.612 20 0 DFADHM COc1ccccc1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000737146184 598522722 /nfs/dbraw/zinc/52/27/22/598522722.db2.gz HLPBPXVSCXAEIC-AWEZNQCLSA-N -1 3 322.372 2.612 20 0 DFADHM CCSCCSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825674891 608406340 /nfs/dbraw/zinc/40/63/40/608406340.db2.gz UGJXJFLDRKGQOA-UHFFFAOYSA-N -1 3 310.448 2.862 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000735760856 598531021 /nfs/dbraw/zinc/53/10/21/598531021.db2.gz IQHJCBBBQKHQND-GFCCVEGCSA-N -1 3 302.378 2.982 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000735760856 598531023 /nfs/dbraw/zinc/53/10/23/598531023.db2.gz IQHJCBBBQKHQND-GFCCVEGCSA-N -1 3 302.378 2.982 20 0 DFADHM CC[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736402564 598534174 /nfs/dbraw/zinc/53/41/74/598534174.db2.gz NZFFOUMUTMZWLX-GFCCVEGCSA-N -1 3 300.366 2.581 20 0 DFADHM CC[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736402564 598534176 /nfs/dbraw/zinc/53/41/76/598534176.db2.gz NZFFOUMUTMZWLX-GFCCVEGCSA-N -1 3 300.366 2.581 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2ncccc2-c2nnn[n-]2)c(C)c1 ZINC000737335040 598538261 /nfs/dbraw/zinc/53/82/61/598538261.db2.gz PFFUYVQQTZYRFS-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccc(C[C@@H](C)Nc2ncccc2-c2nn[n-]n2)c(C)c1 ZINC000737335040 598538263 /nfs/dbraw/zinc/53/82/63/598538263.db2.gz PFFUYVQQTZYRFS-CYBMUJFWSA-N -1 3 308.389 2.922 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(C)CCCC1 ZINC000737295492 598543712 /nfs/dbraw/zinc/54/37/12/598543712.db2.gz YJIDKSTXXMONRO-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(C)CCCC1 ZINC000737295492 598543713 /nfs/dbraw/zinc/54/37/13/598543713.db2.gz YJIDKSTXXMONRO-UHFFFAOYSA-N -1 3 314.393 2.877 20 0 DFADHM Fc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000737647331 598548272 /nfs/dbraw/zinc/54/82/72/598548272.db2.gz BXZJYOJAAQJVCH-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000737647331 598548273 /nfs/dbraw/zinc/54/82/73/598548273.db2.gz BXZJYOJAAQJVCH-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1cc(Cl)nc(C)n1 ZINC000737479977 598551452 /nfs/dbraw/zinc/55/14/52/598551452.db2.gz GSJLIOKEQQVQBE-UHFFFAOYSA-N -1 3 302.725 2.719 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1cc(Cl)nc(C)n1 ZINC000737479977 598551454 /nfs/dbraw/zinc/55/14/54/598551454.db2.gz GSJLIOKEQQVQBE-UHFFFAOYSA-N -1 3 302.725 2.719 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cncc2ccccc21 ZINC000738190295 598572682 /nfs/dbraw/zinc/57/26/82/598572682.db2.gz CKPAJKSPMQXECO-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cncc2ccccc21 ZINC000738190295 598572684 /nfs/dbraw/zinc/57/26/84/598572684.db2.gz CKPAJKSPMQXECO-UHFFFAOYSA-N -1 3 316.324 2.667 20 0 DFADHM O=C(C=C1CCCCC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737788928 598585213 /nfs/dbraw/zinc/58/52/13/598585213.db2.gz AMSIMEHTQKSNGU-UHFFFAOYSA-N -1 3 301.325 2.835 20 0 DFADHM O=C(C=C1CCCCC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737788928 598585215 /nfs/dbraw/zinc/58/52/15/598585215.db2.gz AMSIMEHTQKSNGU-UHFFFAOYSA-N -1 3 301.325 2.835 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)o1 ZINC000738166709 598589813 /nfs/dbraw/zinc/58/98/13/598589813.db2.gz LWPUTVBAARBMDH-UHFFFAOYSA-N -1 3 307.672 2.505 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)o1 ZINC000738166709 598589815 /nfs/dbraw/zinc/58/98/15/598589815.db2.gz LWPUTVBAARBMDH-UHFFFAOYSA-N -1 3 307.672 2.505 20 0 DFADHM O=C(CCc1ccccc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737857432 598592632 /nfs/dbraw/zinc/59/26/32/598592632.db2.gz QLGPZPDWVNAUAC-UHFFFAOYSA-N -1 3 311.320 2.577 20 0 DFADHM O=C(CCc1ccccc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737857432 598592633 /nfs/dbraw/zinc/59/26/33/598592633.db2.gz QLGPZPDWVNAUAC-UHFFFAOYSA-N -1 3 311.320 2.577 20 0 DFADHM CC(=O)c1ccc(OC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000735496202 598608649 /nfs/dbraw/zinc/60/86/49/598608649.db2.gz YBKVJZBIDCKSGW-UHFFFAOYSA-N -1 3 322.324 2.597 20 0 DFADHM CC(=O)c1ccc(OC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000735496202 598608650 /nfs/dbraw/zinc/60/86/50/598608650.db2.gz YBKVJZBIDCKSGW-UHFFFAOYSA-N -1 3 322.324 2.597 20 0 DFADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736437083 598608989 /nfs/dbraw/zinc/60/89/89/598608989.db2.gz SKZYNSXHZWIOTK-WFASDCNBSA-N -1 3 313.405 2.955 20 0 DFADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736437083 598608990 /nfs/dbraw/zinc/60/89/90/598608990.db2.gz SKZYNSXHZWIOTK-WFASDCNBSA-N -1 3 313.405 2.955 20 0 DFADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736437079 598609067 /nfs/dbraw/zinc/60/90/67/598609067.db2.gz SKZYNSXHZWIOTK-DOMZBBRYSA-N -1 3 313.405 2.955 20 0 DFADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736437079 598609069 /nfs/dbraw/zinc/60/90/69/598609069.db2.gz SKZYNSXHZWIOTK-DOMZBBRYSA-N -1 3 313.405 2.955 20 0 DFADHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737090500 598612819 /nfs/dbraw/zinc/61/28/19/598612819.db2.gz QKHUILKXCSBAHO-UHFFFAOYSA-N -1 3 313.336 2.669 20 0 DFADHM CCCN(CC1CC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736469277 598630713 /nfs/dbraw/zinc/63/07/13/598630713.db2.gz CLOFGVFILJNLEQ-UHFFFAOYSA-N -1 3 318.356 2.660 20 0 DFADHM CCCN(CC1CC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736469277 598630714 /nfs/dbraw/zinc/63/07/14/598630714.db2.gz CLOFGVFILJNLEQ-UHFFFAOYSA-N -1 3 318.356 2.660 20 0 DFADHM CC(C)CC[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735797429 598630793 /nfs/dbraw/zinc/63/07/93/598630793.db2.gz PFSWMOFRVUWTND-SNVBAGLBSA-N -1 3 320.372 2.952 20 0 DFADHM CC(C)CC[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735797429 598630795 /nfs/dbraw/zinc/63/07/95/598630795.db2.gz PFSWMOFRVUWTND-SNVBAGLBSA-N -1 3 320.372 2.952 20 0 DFADHM CN(C[C@@H]1CCCCO1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736795770 598634874 /nfs/dbraw/zinc/63/48/74/598634874.db2.gz YKFSJIIOIMLBFS-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CN(C[C@@H]1CCCCO1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736795770 598634876 /nfs/dbraw/zinc/63/48/76/598634876.db2.gz YKFSJIIOIMLBFS-NSHDSACASA-N -1 3 307.785 2.525 20 0 DFADHM CC(C)(CC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000735665554 598662501 /nfs/dbraw/zinc/66/25/01/598662501.db2.gz ZECOBDXEQQWIFF-UHFFFAOYSA-N -1 3 322.372 2.568 20 0 DFADHM CC(C)(CC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000735665554 598662503 /nfs/dbraw/zinc/66/25/03/598662503.db2.gz ZECOBDXEQQWIFF-UHFFFAOYSA-N -1 3 322.372 2.568 20 0 DFADHM CC[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H](C)O1 ZINC000736409654 598678392 /nfs/dbraw/zinc/67/83/92/598678392.db2.gz WYOJVRJIMZOQBV-KOLCDFICSA-N -1 3 307.785 2.524 20 0 DFADHM CC[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H](C)O1 ZINC000736409654 598678394 /nfs/dbraw/zinc/67/83/94/598678394.db2.gz WYOJVRJIMZOQBV-KOLCDFICSA-N -1 3 307.785 2.524 20 0 DFADHM CC(C)(C)SCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735643714 598701443 /nfs/dbraw/zinc/70/14/43/598701443.db2.gz QUWWKJIJEHBWSX-UHFFFAOYSA-N -1 3 324.381 2.581 20 0 DFADHM CC(C)(C)SCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735643714 598701440 /nfs/dbraw/zinc/70/14/40/598701440.db2.gz QUWWKJIJEHBWSX-UHFFFAOYSA-N -1 3 324.381 2.581 20 0 DFADHM CC(C)(C)CCOC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735603147 598712647 /nfs/dbraw/zinc/71/26/47/598712647.db2.gz YFZMTQBVXZHTDL-UHFFFAOYSA-N -1 3 320.418 2.938 20 0 DFADHM CC(C)(C)CCOC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735603147 598712649 /nfs/dbraw/zinc/71/26/49/598712649.db2.gz YFZMTQBVXZHTDL-UHFFFAOYSA-N -1 3 320.418 2.938 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736323704 598717059 /nfs/dbraw/zinc/71/70/59/598717059.db2.gz XZZZKUBKPJAZES-VXGBXAGGSA-N -1 3 316.409 2.615 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736323704 598717061 /nfs/dbraw/zinc/71/70/61/598717061.db2.gz XZZZKUBKPJAZES-VXGBXAGGSA-N -1 3 316.409 2.615 20 0 DFADHM C/C=C\COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736304004 598725914 /nfs/dbraw/zinc/72/59/14/598725914.db2.gz MYIDCEQTZJKKFD-IHWYPQMZSA-N -1 3 316.361 2.535 20 0 DFADHM C/C=C\COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736304004 598725915 /nfs/dbraw/zinc/72/59/15/598725915.db2.gz MYIDCEQTZJKKFD-IHWYPQMZSA-N -1 3 316.361 2.535 20 0 DFADHM CC(C)(C)/C=C/C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735595210 598727128 /nfs/dbraw/zinc/72/71/28/598727128.db2.gz ZJKSWTURAYBDAF-VOTSOKGWSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)(C)/C=C/C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735595210 598727129 /nfs/dbraw/zinc/72/71/29/598727129.db2.gz ZJKSWTURAYBDAF-VOTSOKGWSA-N -1 3 304.325 2.651 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736247349 598734374 /nfs/dbraw/zinc/73/43/74/598734374.db2.gz BWSMSBXKJXLGFT-CHWSQXEVSA-N -1 3 313.405 2.589 20 0 DFADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736247349 598734375 /nfs/dbraw/zinc/73/43/75/598734375.db2.gz BWSMSBXKJXLGFT-CHWSQXEVSA-N -1 3 313.405 2.589 20 0 DFADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000735748567 598748216 /nfs/dbraw/zinc/74/82/16/598748216.db2.gz KWHZKFULHZNQLD-WDEREUQCSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000735748567 598748217 /nfs/dbraw/zinc/74/82/17/598748217.db2.gz KWHZKFULHZNQLD-WDEREUQCSA-N -1 3 319.434 2.873 20 0 DFADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735750031 598749417 /nfs/dbraw/zinc/74/94/17/598749417.db2.gz OZLRAVYLHIGQHO-IUODEOHRSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000735750031 598749418 /nfs/dbraw/zinc/74/94/18/598749418.db2.gz OZLRAVYLHIGQHO-IUODEOHRSA-N -1 3 313.405 2.811 20 0 DFADHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000737243038 598779927 /nfs/dbraw/zinc/77/99/27/598779927.db2.gz RIJPFCOASMABJH-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000737243038 598779928 /nfs/dbraw/zinc/77/99/28/598779928.db2.gz RIJPFCOASMABJH-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM CC(=O)Nc1ccc(C)cc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000735485340 598788158 /nfs/dbraw/zinc/78/81/58/598788158.db2.gz UAAMYNKXQBHIGI-UHFFFAOYSA-N -1 3 323.356 2.713 20 0 DFADHM CC(=O)Nc1ccc(C)cc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000735485340 598788159 /nfs/dbraw/zinc/78/81/59/598788159.db2.gz UAAMYNKXQBHIGI-UHFFFAOYSA-N -1 3 323.356 2.713 20 0 DFADHM Fc1ccc(F)c(OCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737660812 598789445 /nfs/dbraw/zinc/78/94/45/598789445.db2.gz QYNVIKPHJIRFGO-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Fc1ccc(F)c(OCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737660812 598789446 /nfs/dbraw/zinc/78/94/46/598789446.db2.gz QYNVIKPHJIRFGO-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM CC1(C)CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736211649 598798490 /nfs/dbraw/zinc/79/84/90/598798490.db2.gz QQMBHCYRCJTKBS-UHFFFAOYSA-N -1 3 300.366 2.521 20 0 DFADHM CC1(C)CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736211649 598798492 /nfs/dbraw/zinc/79/84/92/598798492.db2.gz QQMBHCYRCJTKBS-UHFFFAOYSA-N -1 3 300.366 2.521 20 0 DFADHM CC(C)(C)SCCOC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735643690 598801238 /nfs/dbraw/zinc/80/12/38/598801238.db2.gz PZZGZULRRJAKML-UHFFFAOYSA-N -1 3 306.391 2.555 20 0 DFADHM CC(C)(C)SCCOC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735643690 598801240 /nfs/dbraw/zinc/80/12/40/598801240.db2.gz PZZGZULRRJAKML-UHFFFAOYSA-N -1 3 306.391 2.555 20 0 DFADHM O=C(Nc1ccc2[nH]ccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738174615 598811243 /nfs/dbraw/zinc/81/12/43/598811243.db2.gz KVCXTOBWNZLRRS-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1ccc2[nH]ccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738174615 598811245 /nfs/dbraw/zinc/81/12/45/598811245.db2.gz KVCXTOBWNZLRRS-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000737520826 598817648 /nfs/dbraw/zinc/81/76/48/598817648.db2.gz LQNKIBFKWFFCHH-VDDIYKPWSA-N -1 3 301.398 2.510 20 0 DFADHM Cc1nnc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000737520826 598817650 /nfs/dbraw/zinc/81/76/50/598817650.db2.gz LQNKIBFKWFFCHH-VDDIYKPWSA-N -1 3 301.398 2.510 20 0 DFADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1coc2ccccc12 ZINC000738117927 598822170 /nfs/dbraw/zinc/82/21/70/598822170.db2.gz ZCPHAOLOFFMYGE-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1coc2ccccc12 ZINC000738117927 598822171 /nfs/dbraw/zinc/82/21/71/598822171.db2.gz ZCPHAOLOFFMYGE-UHFFFAOYSA-N -1 3 319.324 2.543 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CSCCOC(C)(C)C ZINC000821749466 607367635 /nfs/dbraw/zinc/36/76/35/607367635.db2.gz NNFCTNJFFHZQIH-UHFFFAOYSA-N -1 3 322.434 2.924 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSCCOC(C)(C)C ZINC000821749466 607367637 /nfs/dbraw/zinc/36/76/37/607367637.db2.gz NNFCTNJFFHZQIH-UHFFFAOYSA-N -1 3 322.434 2.924 20 0 DFADHM CCN(C(=O)c1sccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509111 599310216 /nfs/dbraw/zinc/31/02/16/599310216.db2.gz SJGUEMIIPBYDEV-UHFFFAOYSA-N -1 3 313.386 2.903 20 0 DFADHM CCN(C(=O)c1sccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509111 599310219 /nfs/dbraw/zinc/31/02/19/599310219.db2.gz SJGUEMIIPBYDEV-UHFFFAOYSA-N -1 3 313.386 2.903 20 0 DFADHM Cc1noc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737546157 599326414 /nfs/dbraw/zinc/32/64/14/599326414.db2.gz MWGQGROHSOAAPW-QMMMGPOBSA-N -1 3 302.363 2.553 20 0 DFADHM Cc1noc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737546157 599326417 /nfs/dbraw/zinc/32/64/17/599326417.db2.gz MWGQGROHSOAAPW-QMMMGPOBSA-N -1 3 302.363 2.553 20 0 DFADHM CCCCc1nc(CNc2cc(-c3nn[n-]n3)ccc2C)no1 ZINC000736465129 599327345 /nfs/dbraw/zinc/32/73/45/599327345.db2.gz AYCUNKNJWGHNBE-UHFFFAOYSA-N -1 3 313.365 2.513 20 0 DFADHM CCCCc1nc(CNc2cc(-c3nnn[n-]3)ccc2C)no1 ZINC000736465129 599327343 /nfs/dbraw/zinc/32/73/43/599327343.db2.gz AYCUNKNJWGHNBE-UHFFFAOYSA-N -1 3 313.365 2.513 20 0 DFADHM Fc1cccc(OCCNc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737665503 599331684 /nfs/dbraw/zinc/33/16/84/599331684.db2.gz RAARJJMQZGAETR-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1cccc(OCCNc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737665503 599331686 /nfs/dbraw/zinc/33/16/86/599331686.db2.gz RAARJJMQZGAETR-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM C[C@H](Nc1cnc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461330 599352351 /nfs/dbraw/zinc/35/23/51/599352351.db2.gz HTTSLLAKLJFBLC-NSHDSACASA-N -1 3 317.356 2.983 20 0 DFADHM C[C@H](Nc1cnc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461330 599352353 /nfs/dbraw/zinc/35/23/53/599352353.db2.gz HTTSLLAKLJFBLC-NSHDSACASA-N -1 3 317.356 2.983 20 0 DFADHM C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462254 599365289 /nfs/dbraw/zinc/36/52/89/599365289.db2.gz WKONMWQBZQTQBG-SECBINFHSA-N -1 3 321.344 2.622 20 0 DFADHM C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462254 599365291 /nfs/dbraw/zinc/36/52/91/599365291.db2.gz WKONMWQBZQTQBG-SECBINFHSA-N -1 3 321.344 2.622 20 0 DFADHM Cn1ccc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000737613351 599366354 /nfs/dbraw/zinc/36/63/54/599366354.db2.gz MPFILRHWHYZYDW-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM Cn1ccc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000737613351 599366356 /nfs/dbraw/zinc/36/63/56/599366356.db2.gz MPFILRHWHYZYDW-UHFFFAOYSA-N -1 3 318.340 2.611 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(C)cc(F)c1 ZINC000821732637 607373434 /nfs/dbraw/zinc/37/34/34/607373434.db2.gz RFLOSNCXGZMEKD-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(C)cc(F)c1 ZINC000821732637 607373436 /nfs/dbraw/zinc/37/34/36/607373436.db2.gz RFLOSNCXGZMEKD-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C(C)=O)cc1 ZINC000821736219 607369281 /nfs/dbraw/zinc/36/92/81/607369281.db2.gz GZSAGGOQDNTHPJ-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM COc1ccc(CNc2ccc3c(c2)CCC3)cc1-c1nnn[n-]1 ZINC000821821701 599409650 /nfs/dbraw/zinc/40/96/50/599409650.db2.gz RXLWEJYJIHCNAT-UHFFFAOYSA-N -1 3 321.384 2.976 20 0 DFADHM COc1ccc(CNc2ccc3c(c2)CCC3)cc1-c1nn[n-]n1 ZINC000821821701 599409653 /nfs/dbraw/zinc/40/96/53/599409653.db2.gz RXLWEJYJIHCNAT-UHFFFAOYSA-N -1 3 321.384 2.976 20 0 DFADHM Clc1cccc2c1CC[C@H]2NCc1ccc(-c2nnn[n-]2)o1 ZINC000822585645 599418142 /nfs/dbraw/zinc/41/81/42/599418142.db2.gz IRSOCKCHFLSLCC-CYBMUJFWSA-N -1 3 315.764 2.890 20 0 DFADHM FC(F)(F)c1ccccc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000822727875 599421268 /nfs/dbraw/zinc/42/12/68/599421268.db2.gz ACYOGWMTCROMTN-UHFFFAOYSA-N -1 3 323.278 2.768 20 0 DFADHM COc1ccc(C)cc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000821783151 599471563 /nfs/dbraw/zinc/47/15/63/599471563.db2.gz XPJOKJIZFYDVKB-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM COc1ccc(C)cc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000821783151 599471566 /nfs/dbraw/zinc/47/15/66/599471566.db2.gz XPJOKJIZFYDVKB-UHFFFAOYSA-N -1 3 313.336 2.935 20 0 DFADHM CC[C@H](C)CN(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820869812 599474265 /nfs/dbraw/zinc/47/42/65/599474265.db2.gz IZTKSDJMIOOLSW-NWDGAFQWSA-N -1 3 316.409 2.615 20 0 DFADHM CC[C@H](C)CN(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820869812 599474268 /nfs/dbraw/zinc/47/42/68/599474268.db2.gz IZTKSDJMIOOLSW-NWDGAFQWSA-N -1 3 316.409 2.615 20 0 DFADHM C[C@H](NC(=O)N(C)CC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340727 599477881 /nfs/dbraw/zinc/47/78/81/599477881.db2.gz NDGBESLKLDCZKK-NSHDSACASA-N -1 3 316.409 2.615 20 0 DFADHM C[C@H](NC(=O)N(C)CC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340727 599477883 /nfs/dbraw/zinc/47/78/83/599477883.db2.gz NDGBESLKLDCZKK-NSHDSACASA-N -1 3 316.409 2.615 20 0 DFADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1CC=CCC1 ZINC000738152158 599499868 /nfs/dbraw/zinc/49/98/68/599499868.db2.gz PPEKHEXVOPFSMN-VIFPVBQESA-N -1 3 318.768 2.750 20 0 DFADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1CC=CCC1 ZINC000738152158 599499870 /nfs/dbraw/zinc/49/98/70/599499870.db2.gz PPEKHEXVOPFSMN-VIFPVBQESA-N -1 3 318.768 2.750 20 0 DFADHM CCCN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821088381 599502151 /nfs/dbraw/zinc/50/21/51/599502151.db2.gz LZKNBHGLIPCYNG-UHFFFAOYSA-N -1 3 302.769 2.915 20 0 DFADHM CCCN(C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821088381 599502152 /nfs/dbraw/zinc/50/21/52/599502152.db2.gz LZKNBHGLIPCYNG-UHFFFAOYSA-N -1 3 302.769 2.915 20 0 DFADHM Fc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000822772076 599504548 /nfs/dbraw/zinc/50/45/48/599504548.db2.gz QKNXBILUDMNNBF-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Fc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000822772076 599504550 /nfs/dbraw/zinc/50/45/50/599504550.db2.gz QKNXBILUDMNNBF-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)o1 ZINC000822167847 599513154 /nfs/dbraw/zinc/51/31/54/599513154.db2.gz JHRMYVSEDDOHTN-SNVBAGLBSA-N -1 3 311.345 2.568 20 0 DFADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC000822167847 599513157 /nfs/dbraw/zinc/51/31/57/599513157.db2.gz JHRMYVSEDDOHTN-SNVBAGLBSA-N -1 3 311.345 2.568 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737420212 599529089 /nfs/dbraw/zinc/52/90/89/599529089.db2.gz DJJINCWSLMJAID-DZGCQCFKSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737420212 599529092 /nfs/dbraw/zinc/52/90/92/599529092.db2.gz DJJINCWSLMJAID-DZGCQCFKSA-N -1 3 320.400 2.953 20 0 DFADHM CC[C@@H](c1ccncc1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC000736396941 599530086 /nfs/dbraw/zinc/53/00/86/599530086.db2.gz PYKRXALYXWRWHX-ZDUSSCGKSA-N -1 3 312.352 2.988 20 0 DFADHM CC[C@@H](c1ccncc1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC000736396941 599530088 /nfs/dbraw/zinc/53/00/88/599530088.db2.gz PYKRXALYXWRWHX-ZDUSSCGKSA-N -1 3 312.352 2.988 20 0 DFADHM CC(C)n1ccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000735965572 599532342 /nfs/dbraw/zinc/53/23/42/599532342.db2.gz MYHRISCZLJJBOJ-UHFFFAOYSA-N -1 3 319.319 2.534 20 0 DFADHM CC(C)n1ccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000735965572 599532344 /nfs/dbraw/zinc/53/23/44/599532344.db2.gz MYHRISCZLJJBOJ-UHFFFAOYSA-N -1 3 319.319 2.534 20 0 DFADHM C[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820690643 599532421 /nfs/dbraw/zinc/53/24/21/599532421.db2.gz PKJNOINUEIVMAB-XUJVJEKNSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820690643 599532423 /nfs/dbraw/zinc/53/24/23/599532423.db2.gz PKJNOINUEIVMAB-XUJVJEKNSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@@H](NC(=O)C=Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321812 599535717 /nfs/dbraw/zinc/53/57/17/599535717.db2.gz MTWLYTAPFOYWMK-OCHBPSSRSA-N -1 3 319.368 2.757 20 0 DFADHM C[C@@H](NC(=O)C=Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321812 599535719 /nfs/dbraw/zinc/53/57/19/599535719.db2.gz MTWLYTAPFOYWMK-OCHBPSSRSA-N -1 3 319.368 2.757 20 0 DFADHM C[C@@H](NC(=O)C=Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321810 599535723 /nfs/dbraw/zinc/53/57/23/599535723.db2.gz MTWLYTAPFOYWMK-BSYHEUMXSA-N -1 3 319.368 2.757 20 0 DFADHM C[C@@H](NC(=O)C=Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321810 599535725 /nfs/dbraw/zinc/53/57/25/599535725.db2.gz MTWLYTAPFOYWMK-BSYHEUMXSA-N -1 3 319.368 2.757 20 0 DFADHM Cc1cc(C)cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196286 599542612 /nfs/dbraw/zinc/54/26/12/599542612.db2.gz CJUASLINVADORW-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cc(C)cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196286 599542614 /nfs/dbraw/zinc/54/26/14/599542614.db2.gz CJUASLINVADORW-CYBMUJFWSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1cccs1 ZINC000737288942 599545141 /nfs/dbraw/zinc/54/51/41/599545141.db2.gz NFCFZKIICJFDJU-JTQLQIEISA-N -1 3 313.386 2.979 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1cccs1 ZINC000737288942 599545143 /nfs/dbraw/zinc/54/51/43/599545143.db2.gz NFCFZKIICJFDJU-JTQLQIEISA-N -1 3 313.386 2.979 20 0 DFADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736326702 599548133 /nfs/dbraw/zinc/54/81/33/599548133.db2.gz CLDHTULGWJNFIX-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736326702 599548136 /nfs/dbraw/zinc/54/81/36/599548136.db2.gz CLDHTULGWJNFIX-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM C[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)Oc1ccccc1 ZINC000820281906 599556731 /nfs/dbraw/zinc/55/67/31/599556731.db2.gz ZBDPZTPUXIIFKH-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM C[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)Oc1ccccc1 ZINC000820281906 599556732 /nfs/dbraw/zinc/55/67/32/599556732.db2.gz ZBDPZTPUXIIFKH-NSHDSACASA-N -1 3 313.336 2.885 20 0 DFADHM Cc1noc(C)c1[C@@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822519610 599558376 /nfs/dbraw/zinc/55/83/76/599558376.db2.gz JOWJGIZKTSBFPX-SSDOTTSWSA-N -1 3 302.313 2.784 20 0 DFADHM Cc1noc(C)c1[C@@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822519610 599558379 /nfs/dbraw/zinc/55/83/79/599558379.db2.gz JOWJGIZKTSBFPX-SSDOTTSWSA-N -1 3 302.313 2.784 20 0 DFADHM CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccncc1 ZINC000820924836 599573625 /nfs/dbraw/zinc/57/36/25/599573625.db2.gz AEERUXKCUMDIET-GFCCVEGCSA-N -1 3 315.768 2.873 20 0 DFADHM CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccncc1 ZINC000820924836 599573626 /nfs/dbraw/zinc/57/36/26/599573626.db2.gz AEERUXKCUMDIET-GFCCVEGCSA-N -1 3 315.768 2.873 20 0 DFADHM c1oc(-c2ccccc2)nc1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000823766621 599586703 /nfs/dbraw/zinc/58/67/03/599586703.db2.gz GNOWZXURAAIICS-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM c1oc(-c2ccccc2)nc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000823766621 599586706 /nfs/dbraw/zinc/58/67/06/599586706.db2.gz GNOWZXURAAIICS-UHFFFAOYSA-N -1 3 319.328 2.529 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC000822193337 599591163 /nfs/dbraw/zinc/59/11/63/599591163.db2.gz TYRLWPRDQOVGCT-HUUCEWRRSA-N -1 3 320.400 2.922 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC000822193337 599591165 /nfs/dbraw/zinc/59/11/65/599591165.db2.gz TYRLWPRDQOVGCT-HUUCEWRRSA-N -1 3 320.400 2.922 20 0 DFADHM Cc1cccc(C)c1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737388831 599605810 /nfs/dbraw/zinc/60/58/10/599605810.db2.gz MEYQWTHKQBYERM-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM Cc1cccc(C)c1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737388831 599605812 /nfs/dbraw/zinc/60/58/12/599605812.db2.gz MEYQWTHKQBYERM-UHFFFAOYSA-N -1 3 308.341 2.841 20 0 DFADHM C[C@H](OC(=O)[C@@H]1Cc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820488511 599622082 /nfs/dbraw/zinc/62/20/82/599622082.db2.gz OXICZEVZUJZVGP-MEDUHNTESA-N -1 3 320.352 2.811 20 0 DFADHM C[C@H](OC(=O)[C@@H]1Cc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820488511 599622083 /nfs/dbraw/zinc/62/20/83/599622083.db2.gz OXICZEVZUJZVGP-MEDUHNTESA-N -1 3 320.352 2.811 20 0 DFADHM C/C(=C/C(=O)OCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000819765314 599622952 /nfs/dbraw/zinc/62/29/52/599622952.db2.gz OGVYHIIPLYAKCU-LUAWRHEFSA-N -1 3 300.362 2.902 20 0 DFADHM C/C(=C/C(=O)OCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000819765314 599622953 /nfs/dbraw/zinc/62/29/53/599622953.db2.gz OGVYHIIPLYAKCU-LUAWRHEFSA-N -1 3 300.362 2.902 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820690246 599623886 /nfs/dbraw/zinc/62/38/86/599623886.db2.gz ICUOHAVNKCLJHP-FZMZJTMJSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820690246 599623887 /nfs/dbraw/zinc/62/38/87/599623887.db2.gz ICUOHAVNKCLJHP-FZMZJTMJSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CC(OC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000820650061 599625397 /nfs/dbraw/zinc/62/53/97/599625397.db2.gz QXDQACXHPQOQLT-QWRGUYRKSA-N -1 3 300.362 2.848 20 0 DFADHM C[C@@H]1CC(OC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000820650061 599625398 /nfs/dbraw/zinc/62/53/98/599625398.db2.gz QXDQACXHPQOQLT-QWRGUYRKSA-N -1 3 300.362 2.848 20 0 DFADHM O=C(Oc1cccc2[nH]ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823453994 599626604 /nfs/dbraw/zinc/62/66/04/599626604.db2.gz HZUVMARAEQXLIQ-UHFFFAOYSA-N -1 3 305.297 2.567 20 0 DFADHM O=C(Oc1cccc2[nH]ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823453994 599626605 /nfs/dbraw/zinc/62/66/05/599626605.db2.gz HZUVMARAEQXLIQ-UHFFFAOYSA-N -1 3 305.297 2.567 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820966931 599648189 /nfs/dbraw/zinc/64/81/89/599648189.db2.gz IXUWRHXQSPNFMG-GXFFZTMASA-N -1 3 300.366 2.519 20 0 DFADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820966931 599648190 /nfs/dbraw/zinc/64/81/90/599648190.db2.gz IXUWRHXQSPNFMG-GXFFZTMASA-N -1 3 300.366 2.519 20 0 DFADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCCC1CCCC1 ZINC000823078788 599659893 /nfs/dbraw/zinc/65/98/93/599659893.db2.gz SPSLKJHBJXIENT-UHFFFAOYSA-N -1 3 314.389 2.923 20 0 DFADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCCC1CCCC1 ZINC000823078788 599659894 /nfs/dbraw/zinc/65/98/94/599659894.db2.gz SPSLKJHBJXIENT-UHFFFAOYSA-N -1 3 314.389 2.923 20 0 DFADHM CO[C@@]1(C)C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1(C)C ZINC000821677622 599687368 /nfs/dbraw/zinc/68/73/68/599687368.db2.gz AQHDQFUSMICHRJ-YGRLFVJLSA-N -1 3 322.800 2.531 20 0 DFADHM CO[C@@]1(C)C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1(C)C ZINC000821677622 599687369 /nfs/dbraw/zinc/68/73/69/599687369.db2.gz AQHDQFUSMICHRJ-YGRLFVJLSA-N -1 3 322.800 2.531 20 0 DFADHM CC(C)(C)[C@@H]1CCCN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736252633 599792824 /nfs/dbraw/zinc/79/28/24/599792824.db2.gz REBRBUGOQIJHPD-AWEZNQCLSA-N -1 3 304.390 2.834 20 0 DFADHM Cc1cncc(C=CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000822399198 607393995 /nfs/dbraw/zinc/39/39/95/607393995.db2.gz CEDWOYGMXBSDPL-GQCTYLIASA-N -1 3 320.356 2.530 20 0 DFADHM Cc1cncc(C=CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000822399198 607393996 /nfs/dbraw/zinc/39/39/96/607393996.db2.gz CEDWOYGMXBSDPL-GQCTYLIASA-N -1 3 320.356 2.530 20 0 DFADHM CC(=O)c1cccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000824029419 607397124 /nfs/dbraw/zinc/39/71/24/607397124.db2.gz KJXFJKQXPQCTFT-UHFFFAOYSA-N -1 3 322.324 2.597 20 0 DFADHM CC(=O)c1cccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000824029419 607397126 /nfs/dbraw/zinc/39/71/26/607397126.db2.gz KJXFJKQXPQCTFT-UHFFFAOYSA-N -1 3 322.324 2.597 20 0 DFADHM Cc1c(CNCc2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000318018330 599841398 /nfs/dbraw/zinc/84/13/98/599841398.db2.gz KCXQEYMIPUHXFE-UHFFFAOYSA-N -1 3 300.314 2.891 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1cc(F)cc(F)c1 ZINC000826252421 607400208 /nfs/dbraw/zinc/40/02/08/607400208.db2.gz CGMLQDPCVUTGMO-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1cc(F)cc(F)c1 ZINC000826252421 607400210 /nfs/dbraw/zinc/40/02/10/607400210.db2.gz CGMLQDPCVUTGMO-UHFFFAOYSA-N -1 3 316.267 2.673 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CC1CCCC1 ZINC000826253012 607413140 /nfs/dbraw/zinc/41/31/40/607413140.db2.gz BXRWXVZZVPPVKA-UHFFFAOYSA-N -1 3 300.362 2.799 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CC1CCCC1 ZINC000826253012 607413141 /nfs/dbraw/zinc/41/31/41/607413141.db2.gz BXRWXVZZVPPVKA-UHFFFAOYSA-N -1 3 300.362 2.799 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)/C=C\C(C)(C)C ZINC000821741562 607416582 /nfs/dbraw/zinc/41/65/82/607416582.db2.gz ONKWKNNXMKTMHT-FPLPWBNLSA-N -1 3 316.361 2.521 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)/C=C\C(C)(C)C ZINC000821741562 607416585 /nfs/dbraw/zinc/41/65/85/607416585.db2.gz ONKWKNNXMKTMHT-FPLPWBNLSA-N -1 3 316.361 2.521 20 0 DFADHM O=C([O-])C[C@H]1CCCCN1Cn1ccc(-c2ccsc2)n1 ZINC000739638871 600074869 /nfs/dbraw/zinc/07/48/69/600074869.db2.gz CZNYAFBNZFOQFG-CYBMUJFWSA-N -1 3 305.403 2.898 20 0 DFADHM CC(C)CN(CCC(=O)[O-])CC(=O)c1c[nH]c2ccccc12 ZINC000736432482 600089637 /nfs/dbraw/zinc/08/96/37/600089637.db2.gz FCPIKDUSYCFXIC-UHFFFAOYSA-N -1 3 302.374 2.783 20 0 DFADHM CCC[C@@H](C)CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825232545 607418733 /nfs/dbraw/zinc/41/87/33/607418733.db2.gz HXJZYARMRYOYED-GFCCVEGCSA-N -1 3 313.405 2.798 20 0 DFADHM CCC[C@@H](C)CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825232545 607418734 /nfs/dbraw/zinc/41/87/34/607418734.db2.gz HXJZYARMRYOYED-GFCCVEGCSA-N -1 3 313.405 2.798 20 0 DFADHM O=C([O-])[C@@H]1CC12CCN(Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000739536076 600290334 /nfs/dbraw/zinc/29/03/34/600290334.db2.gz CLNPAGHSGMEOGA-INIZCTEOSA-N -1 3 323.396 2.830 20 0 DFADHM CN(C(=O)c1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830528 607435905 /nfs/dbraw/zinc/43/59/05/607435905.db2.gz UXKUKTFIADAMNY-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM CN(C(=O)c1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830528 607435907 /nfs/dbraw/zinc/43/59/07/607435907.db2.gz UXKUKTFIADAMNY-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM CCC[C@](C)(NCc1cnn(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000736961911 600320529 /nfs/dbraw/zinc/32/05/29/600320529.db2.gz FITIBDVYFSBTHO-HNNXBMFYSA-N -1 3 322.796 2.654 20 0 DFADHM CC(C)C[C@H](C)CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824230067 607787805 /nfs/dbraw/zinc/78/78/05/607787805.db2.gz ZCDBXYYVAKBLQL-LBPRGKRZSA-N -1 3 301.394 2.902 20 0 DFADHM CC(C)C[C@H](C)CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824230067 607787806 /nfs/dbraw/zinc/78/78/06/607787806.db2.gz ZCDBXYYVAKBLQL-LBPRGKRZSA-N -1 3 301.394 2.902 20 0 DFADHM C[C@H](CN(C)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263115781 600376245 /nfs/dbraw/zinc/37/62/45/600376245.db2.gz BYBOLWRMKRDPLW-OLZOCXBDSA-N -1 3 320.433 2.964 20 0 DFADHM Cc1ccc(F)c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826289323 607440657 /nfs/dbraw/zinc/44/06/57/607440657.db2.gz VMVSMOZCWCDRQO-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1ccc(F)c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826289323 607440658 /nfs/dbraw/zinc/44/06/58/607440658.db2.gz VMVSMOZCWCDRQO-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823942515 607441193 /nfs/dbraw/zinc/44/11/93/607441193.db2.gz DZDBHIRIFJZAOS-SEYXRHQNSA-N -1 3 319.368 2.933 20 0 DFADHM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823942515 607441195 /nfs/dbraw/zinc/44/11/95/607441195.db2.gz DZDBHIRIFJZAOS-SEYXRHQNSA-N -1 3 319.368 2.933 20 0 DFADHM O=C([O-])[C@@H](NCc1cccnc1)c1ccc(Br)cc1 ZINC000739506252 600416807 /nfs/dbraw/zinc/41/68/07/600416807.db2.gz WXOWZVWIOQBHBV-ZDUSSCGKSA-N -1 3 321.174 2.760 20 0 DFADHM CCOC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737154332 600427348 /nfs/dbraw/zinc/42/73/48/600427348.db2.gz QAZYZBWNLHULEM-MRXNPFEDSA-N -1 3 313.353 2.779 20 0 DFADHM CCOc1ccccc1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000737210147 600515026 /nfs/dbraw/zinc/51/50/26/600515026.db2.gz AGUULKGORHAXJK-OAHLLOKOSA-N -1 3 307.390 2.541 20 0 DFADHM CCN(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H](C)C(C)C ZINC000737107437 600554090 /nfs/dbraw/zinc/55/40/90/600554090.db2.gz AMOVZXJVHDBEAQ-NSHDSACASA-N -1 3 317.389 2.900 20 0 DFADHM CC[C@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)N(CC)CC ZINC000736849705 600589075 /nfs/dbraw/zinc/58/90/75/600589075.db2.gz RWEIHOSSZKUNKV-OAHLLOKOSA-N -1 3 321.421 2.855 20 0 DFADHM Cc1cccc(OCCN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832975837 600733631 /nfs/dbraw/zinc/73/36/31/600733631.db2.gz ZCDUDBKWCLFSFB-MRXNPFEDSA-N -1 3 303.333 2.928 20 0 DFADHM O=C([O-])[C@H](NCCOc1cccc(F)c1)c1ccccc1F ZINC000833165214 600738381 /nfs/dbraw/zinc/73/83/81/600738381.db2.gz GMMHUMQKQDBZPO-OAHLLOKOSA-N -1 3 307.296 2.759 20 0 DFADHM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828215083 600932788 /nfs/dbraw/zinc/93/27/88/600932788.db2.gz ZCBNXRUIHPRTMG-STQMWFEESA-N -1 3 304.390 2.515 20 0 DFADHM CN1CCN([C@H](C(=O)[O-])c2ccccc2F)Cc2ccccc21 ZINC000830951148 600998219 /nfs/dbraw/zinc/99/82/19/600998219.db2.gz VTAYATYKVFUWOU-KRWDZBQOSA-N -1 3 314.360 2.903 20 0 DFADHM O=C([O-])c1cccc(NC(=O)CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC000833106445 601017593 /nfs/dbraw/zinc/01/75/93/601017593.db2.gz SUDRSNMFAIFGJH-DOMZBBRYSA-N -1 3 302.374 2.588 20 0 DFADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CC[C@H](CCO)C1 ZINC000833172045 601018033 /nfs/dbraw/zinc/01/80/33/601018033.db2.gz QVUJOWCWXXQZGO-RNCFNFMXSA-N -1 3 318.200 2.823 20 0 DFADHM C[C@@](NCc1csc(-c2ccccn2)n1)(C(=O)[O-])C1CC1 ZINC000827740840 601038167 /nfs/dbraw/zinc/03/81/67/601038167.db2.gz CKNJTUVSFKOGQD-HNNXBMFYSA-N -1 3 303.387 2.548 20 0 DFADHM C[C@@](NCc1coc(-c2ccc(F)cc2)n1)(C(=O)[O-])C1CC1 ZINC000827741100 601039016 /nfs/dbraw/zinc/03/90/16/601039016.db2.gz IIMHNXMAYKOHBF-INIZCTEOSA-N -1 3 304.321 2.824 20 0 DFADHM Cc1ccc(NC(=O)[C@@H](C)N2CCCCCC2)cc1C(=O)[O-] ZINC000832942627 601066413 /nfs/dbraw/zinc/06/64/13/601066413.db2.gz HUKWVPAKURIAKY-CYBMUJFWSA-N -1 3 304.390 2.896 20 0 DFADHM CC[C@@H](C)CN(CC)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000828747697 601220418 /nfs/dbraw/zinc/22/04/18/601220418.db2.gz SOTGUVMHYCXHLV-CYBMUJFWSA-N -1 3 306.406 2.716 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](n2ccnc2C)C1 ZINC000830369002 601416701 /nfs/dbraw/zinc/41/67/01/601416701.db2.gz HWSJDVVHSPJDHM-CQSZACIVSA-N -1 3 317.389 2.882 20 0 DFADHM COC[C@@](C)(CC(=O)[O-])NCc1cc(Cl)ccc1Cl ZINC000831578223 601488560 /nfs/dbraw/zinc/48/85/60/601488560.db2.gz MWKPLLFAVZIITH-CYBMUJFWSA-N -1 3 306.189 2.963 20 0 DFADHM CCC1CCC(NCc2ccoc2C(=O)OC)(C(=O)[O-])CC1 ZINC000829107122 601496233 /nfs/dbraw/zinc/49/62/33/601496233.db2.gz HMIYAXNWFVZIGS-UHFFFAOYSA-N -1 3 309.362 2.579 20 0 DFADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](C(C)C)C1 ZINC000832914131 601498243 /nfs/dbraw/zinc/49/82/43/601498243.db2.gz AZSFTBUBEBMMSW-UKRRQHHQSA-N -1 3 318.417 2.998 20 0 DFADHM C[C@@H]1CN(CC(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000263161880 601504744 /nfs/dbraw/zinc/50/47/44/601504744.db2.gz GFFRUXPEKBGQKO-IUODEOHRSA-N -1 3 318.417 2.575 20 0 DFADHM C[C@H]1CN(Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@@H]1C(=O)[O-] ZINC000828462968 601505537 /nfs/dbraw/zinc/50/55/37/601505537.db2.gz NVBBFRPKLFONOZ-CABZTGNLSA-N -1 3 322.311 2.772 20 0 DFADHM C[C@@H]1CN(Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1C(=O)[O-] ZINC000828462967 601505593 /nfs/dbraw/zinc/50/55/93/601505593.db2.gz NVBBFRPKLFONOZ-BXKDBHETSA-N -1 3 322.311 2.772 20 0 DFADHM COC(=O)c1cc(CN(C[C@H](C)C(=O)[O-])C2CC2)c(C)s1 ZINC000831248001 601816808 /nfs/dbraw/zinc/81/68/08/601816808.db2.gz IKYOTICTNJONJL-VIFPVBQESA-N -1 3 311.403 2.528 20 0 DFADHM CN(C)c1ccccc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825884228 607529512 /nfs/dbraw/zinc/52/95/12/607529512.db2.gz WEHICTVZKFKCLD-UHFFFAOYSA-N -1 3 308.389 2.569 20 0 DFADHM CN(C)c1ccccc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825884228 607529513 /nfs/dbraw/zinc/52/95/13/607529513.db2.gz WEHICTVZKFKCLD-UHFFFAOYSA-N -1 3 308.389 2.569 20 0 DFADHM CSc1ccc(NC(=O)[C@@H](C)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000832780763 601920434 /nfs/dbraw/zinc/92/04/34/601920434.db2.gz DIOPAASBNJCIHE-BZNIZROVSA-N -1 3 322.430 2.532 20 0 DFADHM COc1ccc(CSCCOC(C)C)cc1-c1nnn[n-]1 ZINC000826208179 607534424 /nfs/dbraw/zinc/53/44/24/607534424.db2.gz XFCIUTPFSVABKE-UHFFFAOYSA-N -1 3 308.407 2.534 20 0 DFADHM COc1ccc(CSCCOC(C)C)cc1-c1nn[n-]n1 ZINC000826208179 607534426 /nfs/dbraw/zinc/53/44/26/607534426.db2.gz XFCIUTPFSVABKE-UHFFFAOYSA-N -1 3 308.407 2.534 20 0 DFADHM CC[C@@H](C)c1ccc(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000263100699 601936506 /nfs/dbraw/zinc/93/65/06/601936506.db2.gz IUGTUELVDGQCCH-ACJLOTCBSA-N -1 3 318.417 2.935 20 0 DFADHM C[C@]1(C(=O)[O-])CCN(C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000828024781 601943156 /nfs/dbraw/zinc/94/31/56/601943156.db2.gz VVGUXUCWPLIZTJ-OCCSQVGLSA-N -1 3 317.307 2.535 20 0 DFADHM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000827134313 601944036 /nfs/dbraw/zinc/94/40/36/601944036.db2.gz QPOMFXLQJFJHNE-ACJLOTCBSA-N -1 3 318.417 2.934 20 0 DFADHM O=C([O-])c1ccc(CN2CCC[C@@H](c3ccncn3)C2)s1 ZINC000833313066 601944403 /nfs/dbraw/zinc/94/44/03/601944403.db2.gz NSSKRELVZSKDJM-LLVKDONJSA-N -1 3 303.387 2.616 20 0 DFADHM CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000829184502 601946973 /nfs/dbraw/zinc/94/69/73/601946973.db2.gz MHIRRFVBRVWWFG-LBPRGKRZSA-N -1 3 324.446 2.575 20 0 DFADHM CCOCCCSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825594659 607535541 /nfs/dbraw/zinc/53/55/41/607535541.db2.gz NRYZGUHISHYYJZ-UHFFFAOYSA-N -1 3 308.407 2.535 20 0 DFADHM CCOCCCSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825594659 607535542 /nfs/dbraw/zinc/53/55/42/607535542.db2.gz NRYZGUHISHYYJZ-UHFFFAOYSA-N -1 3 308.407 2.535 20 0 DFADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@@H](Oc2ccccn2)C1 ZINC000833032991 602022052 /nfs/dbraw/zinc/02/20/52/602022052.db2.gz SKBDXJXBDDLEKG-CYBMUJFWSA-N -1 3 318.398 2.803 20 0 DFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](Oc2ccccn2)C1 ZINC000827927770 602052401 /nfs/dbraw/zinc/05/24/01/602052401.db2.gz ARWUSAMSILKCOM-NEPJUHHUSA-N -1 3 302.330 2.587 20 0 DFADHM CC[C@@](C)(CC(=O)[O-])NCc1ccn(-c2cccc(F)c2)n1 ZINC000828664735 602216900 /nfs/dbraw/zinc/21/69/00/602216900.db2.gz HEMOBMYENCHEMC-INIZCTEOSA-N -1 3 305.353 2.744 20 0 DFADHM COc1ccccc1OCCN1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000739981450 602261922 /nfs/dbraw/zinc/26/19/22/602261922.db2.gz JBGCBJZKETUKDV-KBPBESRZSA-N -1 3 322.405 2.585 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c2ccccc21 ZINC000824919068 607775119 /nfs/dbraw/zinc/77/51/19/607775119.db2.gz RQEUNYMAPQMXCU-ZWNOBZJWSA-N -1 3 322.372 2.563 20 0 DFADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c2ccccc21 ZINC000824919068 607775120 /nfs/dbraw/zinc/77/51/20/607775120.db2.gz RQEUNYMAPQMXCU-ZWNOBZJWSA-N -1 3 322.372 2.563 20 0 DFADHM CCC(CC)[C@H](CCNc1ccc(-c2nnn[n-]2)cn1)OC ZINC000825097778 607564272 /nfs/dbraw/zinc/56/42/72/607564272.db2.gz YXVNIPPESMDPOL-ZDUSSCGKSA-N -1 3 304.398 2.515 20 0 DFADHM CCC(CC)[C@H](CCNc1ccc(-c2nn[n-]n2)cn1)OC ZINC000825097778 607564274 /nfs/dbraw/zinc/56/42/74/607564274.db2.gz YXVNIPPESMDPOL-ZDUSSCGKSA-N -1 3 304.398 2.515 20 0 DFADHM CCC(CC)[C@H](CCNc1ncccc1-c1nnn[n-]1)OC ZINC000825096474 607564657 /nfs/dbraw/zinc/56/46/57/607564657.db2.gz OAVSBKQWUBKUPE-ZDUSSCGKSA-N -1 3 304.398 2.515 20 0 DFADHM CCC(CC)[C@H](CCNc1ncccc1-c1nn[n-]n1)OC ZINC000825096474 607564658 /nfs/dbraw/zinc/56/46/58/607564658.db2.gz OAVSBKQWUBKUPE-ZDUSSCGKSA-N -1 3 304.398 2.515 20 0 DFADHM CN(C[C@H]1CCN(CCSc2ccccc2F)C1)C(=O)[O-] ZINC000739666676 602537632 /nfs/dbraw/zinc/53/76/32/602537632.db2.gz UNHNPKDFSRVENG-GFCCVEGCSA-N -1 3 312.410 2.850 20 0 DFADHM O=C([O-])NC[C@@H](NCc1nc2ccccc2[nH]1)C1CCCCC1 ZINC000740612521 602572286 /nfs/dbraw/zinc/57/22/86/602572286.db2.gz KJGFBXUBMRFNLA-OAHLLOKOSA-N -1 3 316.405 2.869 20 0 DFADHM CC[C@@H](SC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825158989 607593741 /nfs/dbraw/zinc/59/37/41/607593741.db2.gz GPJZAHIJCXMMQX-SNVBAGLBSA-N -1 3 311.798 2.600 20 0 DFADHM CC[C@@H](SC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825158989 607593742 /nfs/dbraw/zinc/59/37/42/607593742.db2.gz GPJZAHIJCXMMQX-SNVBAGLBSA-N -1 3 311.798 2.600 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825233837 607603230 /nfs/dbraw/zinc/60/32/30/607603230.db2.gz SKEKSNSSMLUPEU-DHZHZOJOSA-N -1 3 316.361 2.665 20 0 DFADHM CCC/C(C)=C/C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825233837 607603231 /nfs/dbraw/zinc/60/32/31/607603231.db2.gz SKEKSNSSMLUPEU-DHZHZOJOSA-N -1 3 316.361 2.665 20 0 DFADHM O=C([O-])NC[C@H](NCc1csc(Br)c1)C1CC1 ZINC000740612412 603073213 /nfs/dbraw/zinc/07/32/13/603073213.db2.gz JNXCMQHGWTYANA-VIFPVBQESA-N -1 3 319.224 2.646 20 0 DFADHM COc1ccc2[nH]cc(C3CCN(CCNC(=O)[O-])CC3)c2c1 ZINC000739935146 603084037 /nfs/dbraw/zinc/08/40/37/603084037.db2.gz JESWVACATGINED-UHFFFAOYSA-N -1 3 317.389 2.624 20 0 DFADHM CCN(CC1CCN(C[C@H](O)c2ccccc2F)CC1)C(=O)[O-] ZINC000827094186 603511167 /nfs/dbraw/zinc/51/11/67/603511167.db2.gz YPWKFJLUBXSCCN-INIZCTEOSA-N -1 3 324.396 2.571 20 0 DFADHM CN(Cc1ccc2ccccc2n1)CC(C)(C)CNC(=O)[O-] ZINC000828359832 603547606 /nfs/dbraw/zinc/54/76/06/603547606.db2.gz GUBNKUOSZRKZAM-UHFFFAOYSA-N -1 3 301.390 2.960 20 0 DFADHM O=C(Nc1ccccc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826457020 607646828 /nfs/dbraw/zinc/64/68/28/607646828.db2.gz IZYFYJZDVPNYTQ-UHFFFAOYSA-N -1 3 320.356 2.678 20 0 DFADHM O=C(Nc1ccccc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826457020 607646830 /nfs/dbraw/zinc/64/68/30/607646830.db2.gz IZYFYJZDVPNYTQ-UHFFFAOYSA-N -1 3 320.356 2.678 20 0 DFADHM CCCCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825267207 607657405 /nfs/dbraw/zinc/65/74/05/607657405.db2.gz JRVYEMWVTRCZKH-GFCCVEGCSA-N -1 3 301.394 2.874 20 0 DFADHM CCCCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825267207 607657407 /nfs/dbraw/zinc/65/74/07/607657407.db2.gz JRVYEMWVTRCZKH-GFCCVEGCSA-N -1 3 301.394 2.874 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2ccccc2)no1 ZINC000826243574 607658015 /nfs/dbraw/zinc/65/80/15/607658015.db2.gz NFMIWUCMKLKCLX-UHFFFAOYSA-N -1 3 304.313 2.892 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2ccccc2)no1 ZINC000826243574 607658017 /nfs/dbraw/zinc/65/80/17/607658017.db2.gz NFMIWUCMKLKCLX-UHFFFAOYSA-N -1 3 304.313 2.892 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000826243701 607660044 /nfs/dbraw/zinc/66/00/44/607660044.db2.gz RUUMMWXLQNKNEU-XHDPSFHLSA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000826243701 607660045 /nfs/dbraw/zinc/66/00/45/607660045.db2.gz RUUMMWXLQNKNEU-XHDPSFHLSA-N -1 3 313.405 2.826 20 0 DFADHM CCCN(CC(C)C)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825307634 607661123 /nfs/dbraw/zinc/66/11/23/607661123.db2.gz INEKAKSRCJTYMH-UHFFFAOYSA-N -1 3 301.394 2.683 20 0 DFADHM CCCN(CC(C)C)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825307634 607661125 /nfs/dbraw/zinc/66/11/25/607661125.db2.gz INEKAKSRCJTYMH-UHFFFAOYSA-N -1 3 301.394 2.683 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000826243721 607661263 /nfs/dbraw/zinc/66/12/63/607661263.db2.gz SQRDHCQBXISKNT-RISCZKNCSA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000826243721 607661265 /nfs/dbraw/zinc/66/12/65/607661265.db2.gz SQRDHCQBXISKNT-RISCZKNCSA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000826243391 607661578 /nfs/dbraw/zinc/66/15/78/607661578.db2.gz HHFLGAYUOSJRPZ-LLVKDONJSA-N -1 3 311.389 2.578 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000826243391 607661580 /nfs/dbraw/zinc/66/15/80/607661580.db2.gz HHFLGAYUOSJRPZ-LLVKDONJSA-N -1 3 311.389 2.578 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000826243722 607662118 /nfs/dbraw/zinc/66/21/18/607662118.db2.gz SQRDHCQBXISKNT-SMDDNHRTSA-N -1 3 313.405 2.826 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000826243722 607662120 /nfs/dbraw/zinc/66/21/20/607662120.db2.gz SQRDHCQBXISKNT-SMDDNHRTSA-N -1 3 313.405 2.826 20 0 DFADHM CC(=O)Oc1ccc(CN2CCCC[C@@H]2[C@H](C)NC(=O)[O-])cc1 ZINC000823627580 603995684 /nfs/dbraw/zinc/99/56/84/603995684.db2.gz IRCBLWUKPACCRC-BLLLJJGKSA-N -1 3 320.389 2.623 20 0 DFADHM O=C1Nc2ccc(F)cc2C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826483748 607682548 /nfs/dbraw/zinc/68/25/48/607682548.db2.gz YTEOCKQACPZAEW-POHAHGRESA-N -1 3 313.317 2.560 20 0 DFADHM Cc1nc2ccccn2c1CN(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000830793259 604321069 /nfs/dbraw/zinc/32/10/69/604321069.db2.gz OQMITKTVIGPLJD-AWEZNQCLSA-N -1 3 318.421 2.757 20 0 DFADHM Cc1[nH]c2ccccc2c1C1CCN(CCNC(=O)[O-])CC1 ZINC000829827438 604359520 /nfs/dbraw/zinc/35/95/20/604359520.db2.gz BAUWSHTYLRKKEI-UHFFFAOYSA-N -1 3 301.390 2.923 20 0 DFADHM C[C@H](N[C@@H](CNC(=O)[O-])C1CC1)c1cc(F)c(F)c(F)c1 ZINC000825473528 604361043 /nfs/dbraw/zinc/36/10/43/604361043.db2.gz RNJIYOUTKUBTGF-MADCSZMMSA-N -1 3 302.296 2.801 20 0 DFADHM C[C@H](NC[C@H](NC(=O)[O-])c1ccccc1)c1cncc(F)c1 ZINC000825485312 604379547 /nfs/dbraw/zinc/37/95/47/604379547.db2.gz OEPXQAKGKCBXOM-NHYWBVRUSA-N -1 3 303.337 2.880 20 0 DFADHM CC(C)CCCCCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824243547 607691195 /nfs/dbraw/zinc/69/11/95/607691195.db2.gz IVJKMTJLRCYYQR-UHFFFAOYSA-N -1 3 304.398 2.531 20 0 DFADHM CC(C)CCCCCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824243547 607691197 /nfs/dbraw/zinc/69/11/97/607691197.db2.gz IVJKMTJLRCYYQR-UHFFFAOYSA-N -1 3 304.398 2.531 20 0 DFADHM CCC(CC)(CC(=O)[O-])NCc1csc(N(C)C2CC2)n1 ZINC000828804468 604485657 /nfs/dbraw/zinc/48/56/57/604485657.db2.gz OIIMQKDIUZWBIP-UHFFFAOYSA-N -1 3 311.451 2.865 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC2(CCCC2)C1 ZINC000826245395 607696915 /nfs/dbraw/zinc/69/69/15/607696915.db2.gz WQRPLRNRGAUQEP-UHFFFAOYSA-N -1 3 311.389 2.581 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC2(CCCC2)C1 ZINC000826245395 607696917 /nfs/dbraw/zinc/69/69/17/607696917.db2.gz WQRPLRNRGAUQEP-UHFFFAOYSA-N -1 3 311.389 2.581 20 0 DFADHM CC(=O)N1CC[C@H](N[C@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC000833395202 604631492 /nfs/dbraw/zinc/63/14/92/604631492.db2.gz WXNJLGOVBVTNEG-WMZOPIPTSA-N -1 3 324.380 2.900 20 0 DFADHM Cc1cc(CN2CCS[C@H](C)C2)cc(C)c1OCC(=O)[O-] ZINC000833745943 604631923 /nfs/dbraw/zinc/63/19/23/604631923.db2.gz YPSOXTQSJYRMCM-CYBMUJFWSA-N -1 3 309.431 2.704 20 0 DFADHM C[C@H]1C[C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)CN1C1CC1 ZINC000833597310 604832766 /nfs/dbraw/zinc/83/27/66/604832766.db2.gz KPNDCIXOIDCAEI-NKWVEPMBSA-N -1 3 301.799 2.532 20 0 DFADHM CN1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000820620183 604858465 /nfs/dbraw/zinc/85/84/65/604858465.db2.gz IPNIRVRUBBATAF-IRXDYDNUSA-N -1 3 324.380 2.560 20 0 DFADHM COc1ccc2c(c1)nccc2N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000829515994 604887621 /nfs/dbraw/zinc/88/76/21/604887621.db2.gz OQIXOPNOQVVDNU-GFCCVEGCSA-N -1 3 315.373 2.680 20 0 DFADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824244085 607723101 /nfs/dbraw/zinc/72/31/01/607723101.db2.gz QNZWBPLKBLNBKQ-NWDGAFQWSA-N -1 3 316.409 2.530 20 0 DFADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824244085 607723103 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O=C([O-])NC[C@H]1CCC[C@H]1NCc1cc(-c2ccccc2)on1 ZINC000834212781 605602055 /nfs/dbraw/zinc/60/20/55/605602055.db2.gz INWORTKZVUKTGV-UKRRQHHQSA-N -1 3 315.373 2.868 20 0 DFADHM O=C([O-])N1CC[C@@H](N(CC2=Cc3ccccc3OC2)C2CC2)C1 ZINC000834081310 605620054 /nfs/dbraw/zinc/62/00/54/605620054.db2.gz FOPMABPZGSFCAQ-MRXNPFEDSA-N -1 3 314.385 2.679 20 0 DFADHM C[C@H]1C[C@@H](CNC(=O)[O-])CN1Cc1cc(-c2ccccc2)no1 ZINC000833829599 605884619 /nfs/dbraw/zinc/88/46/19/605884619.db2.gz HDYDJPBKSCDAQI-STQMWFEESA-N -1 3 315.373 2.820 20 0 DFADHM C[C@H]1C[C@H](CNC(=O)[O-])CN1Cc1cc(-c2ccccc2)no1 ZINC000833829597 605884845 /nfs/dbraw/zinc/88/48/45/605884845.db2.gz HDYDJPBKSCDAQI-QWHCGFSZSA-N -1 3 315.373 2.820 20 0 DFADHM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CCc1c(F)cccc1Cl ZINC000833835418 605905673 /nfs/dbraw/zinc/90/56/73/605905673.db2.gz ZAGLGZDEHSYTFD-MNOVXSKESA-N -1 3 314.788 3.000 20 0 DFADHM O=C([O-])NC[C@H](NCCn1cccn1)c1ccc2ccccc2c1 ZINC000834208907 605974787 /nfs/dbraw/zinc/97/47/87/605974787.db2.gz 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CC(C)=C(C)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820004997 606192046 /nfs/dbraw/zinc/19/20/46/606192046.db2.gz HYEKLRKSUWBLCM-UHFFFAOYSA-N -1 3 316.361 2.535 20 0 DFADHM CCC[C@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821014465 606224343 /nfs/dbraw/zinc/22/43/43/606224343.db2.gz HMJIJYVWCPQARG-JTQLQIEISA-N -1 3 306.391 2.691 20 0 DFADHM CCC[C@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821014465 606224345 /nfs/dbraw/zinc/22/43/45/606224345.db2.gz HMJIJYVWCPQARG-JTQLQIEISA-N -1 3 306.391 2.691 20 0 DFADHM CC(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC000820021619 606229034 /nfs/dbraw/zinc/22/90/34/606229034.db2.gz XEUNNOLTWFEISP-CQSZACIVSA-N -1 3 309.377 2.508 20 0 DFADHM CC(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC000820021619 606229036 /nfs/dbraw/zinc/22/90/36/606229036.db2.gz XEUNNOLTWFEISP-CQSZACIVSA-N -1 3 309.377 2.508 20 0 DFADHM C[C@H]1[C@@H](c2ccccc2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000820641560 606231866 /nfs/dbraw/zinc/23/18/66/606231866.db2.gz DEXLSRXVHAVTON-WFASDCNBSA-N 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/nfs/dbraw/zinc/34/51/89/606345189.db2.gz AUMHGQMGMZCRRT-YUMQZZPRSA-N -1 3 314.267 2.669 20 0 DFADHM C[C@H](OC(=O)[C@H](C)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820479682 606345191 /nfs/dbraw/zinc/34/51/91/606345191.db2.gz AUMHGQMGMZCRRT-YUMQZZPRSA-N -1 3 314.267 2.669 20 0 DFADHM CC(C)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820039116 606345311 /nfs/dbraw/zinc/34/53/11/606345311.db2.gz VUCOCKAOLGOHLI-CYBMUJFWSA-N -1 3 318.356 2.658 20 0 DFADHM CC(C)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820039116 606345312 /nfs/dbraw/zinc/34/53/12/606345312.db2.gz VUCOCKAOLGOHLI-CYBMUJFWSA-N -1 3 318.356 2.658 20 0 DFADHM COc1cccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821858515 606355331 /nfs/dbraw/zinc/35/53/31/606355331.db2.gz GIYYQMHRNVEDTB-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM COc1cccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821858515 606355333 /nfs/dbraw/zinc/35/53/33/606355333.db2.gz GIYYQMHRNVEDTB-NSHDSACASA-N -1 3 324.340 2.793 20 0 DFADHM C[C@@H](OC(=O)C=Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488392 606357469 /nfs/dbraw/zinc/35/74/69/606357469.db2.gz NLDMEEIKHKTBQW-TWLAMCEISA-N -1 3 321.340 2.579 20 0 DFADHM C[C@@H](OC(=O)C=Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488392 606357471 /nfs/dbraw/zinc/35/74/71/606357471.db2.gz NLDMEEIKHKTBQW-TWLAMCEISA-N -1 3 321.340 2.579 20 0 DFADHM CCOc1ccc(CSc2ccccc2-c2nnn[n-]2)nc1 ZINC000821421894 606360768 /nfs/dbraw/zinc/36/07/68/606360768.db2.gz HTDLCFYHGKZDBG-UHFFFAOYSA-N -1 3 313.386 2.953 20 0 DFADHM CCOc1ccc(CSc2ccccc2-c2nn[n-]n2)nc1 ZINC000821421894 606360769 /nfs/dbraw/zinc/36/07/69/606360769.db2.gz HTDLCFYHGKZDBG-UHFFFAOYSA-N -1 3 313.386 2.953 20 0 DFADHM C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(-c3nnn[n-]3)s2)o1 ZINC000820676497 606410475 /nfs/dbraw/zinc/41/04/75/606410475.db2.gz NOIGONLRRBRUNU-CABZTGNLSA-N -1 3 315.402 2.934 20 0 DFADHM C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(-c3nnn[n-]3)s2)o1 ZINC000820676499 606410482 /nfs/dbraw/zinc/41/04/82/606410482.db2.gz NOIGONLRRBRUNU-SKDRFNHKSA-N 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PPERNXMFCBFHIP-QMMMGPOBSA-N -1 3 316.315 2.682 20 0 DFADHM C[C@H]1CCCN1c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000820717317 606417675 /nfs/dbraw/zinc/41/76/75/606417675.db2.gz PPERNXMFCBFHIP-QMMMGPOBSA-N -1 3 316.315 2.682 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]1C ZINC000822204527 606418680 /nfs/dbraw/zinc/41/86/80/606418680.db2.gz RTHPZADVYYOWQI-SNVBAGLBSA-N -1 3 312.352 2.851 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H]1C ZINC000822204527 606418682 /nfs/dbraw/zinc/41/86/82/606418682.db2.gz RTHPZADVYYOWQI-SNVBAGLBSA-N -1 3 312.352 2.851 20 0 DFADHM CC(C)[C@H]1OCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000820045592 606426730 /nfs/dbraw/zinc/42/67/30/606426730.db2.gz ODZKWHLUROTGOX-DZGCQCFKSA-N -1 3 301.394 2.730 20 0 DFADHM c1cnc(Nc2cccc(N3CCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000823757321 606431775 /nfs/dbraw/zinc/43/17/75/606431775.db2.gz OSBAXJUASCBYPP-UHFFFAOYSA-N -1 3 307.361 2.606 20 0 DFADHM c1cnc(Nc2cccc(N3CCCC3)c2)c(-c2nn[n-]n2)c1 ZINC000823757321 606431777 /nfs/dbraw/zinc/43/17/77/606431777.db2.gz OSBAXJUASCBYPP-UHFFFAOYSA-N -1 3 307.361 2.606 20 0 DFADHM Cc1cccc(OCCNc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822328945 606457732 /nfs/dbraw/zinc/45/77/32/606457732.db2.gz WBPYUICPUICQBG-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1cccc(OCCNc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822328945 606457734 /nfs/dbraw/zinc/45/77/34/606457734.db2.gz WBPYUICPUICQBG-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM CN(CCc1ccncc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821607619 606462706 /nfs/dbraw/zinc/46/27/06/606462706.db2.gz WWUKIKHSOQXWGY-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM CN(CCc1ccncc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821607619 606462708 /nfs/dbraw/zinc/46/27/08/606462708.db2.gz WWUKIKHSOQXWGY-UHFFFAOYSA-N -1 3 314.780 2.594 20 0 DFADHM C[C@@H]1CC=CC[C@H]1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820675457 606464634 /nfs/dbraw/zinc/46/46/34/606464634.db2.gz JEEYUPTWUJHHHB-ZJUUUORDSA-N -1 3 304.375 2.687 20 0 DFADHM C[C@@H]1CC=CC[C@H]1COC(=O)c1cc(-c2nn[n-]n2)cs1 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/nfs/dbraw/zinc/20/31/19/607203119.db2.gz UVOPWVFBKGLXQV-UHFFFAOYSA-N -1 3 320.784 2.830 20 0 DFADHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000819988227 607203120 /nfs/dbraw/zinc/20/31/20/607203120.db2.gz UVOPWVFBKGLXQV-UHFFFAOYSA-N -1 3 320.784 2.830 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000821014064 607224977 /nfs/dbraw/zinc/22/49/77/607224977.db2.gz BKIVJMHVOBPGQU-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000821014064 607224978 /nfs/dbraw/zinc/22/49/78/607224978.db2.gz BKIVJMHVOBPGQU-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM Cc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822227747 607245307 /nfs/dbraw/zinc/24/53/07/607245307.db2.gz ULOKWTICMSJPCA-UHFFFAOYSA-N -1 3 304.306 2.595 20 0 DFADHM Cc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822227747 607245308 /nfs/dbraw/zinc/24/53/08/607245308.db2.gz ULOKWTICMSJPCA-UHFFFAOYSA-N -1 3 304.306 2.595 20 0 DFADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)CCC2 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CCc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1F ZINC000825712128 607774693 /nfs/dbraw/zinc/77/46/93/607774693.db2.gz KSNPYHFYWBFXNR-UHFFFAOYSA-N -1 3 317.349 2.882 20 0 DFADHM CCc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1F ZINC000825712128 607774694 /nfs/dbraw/zinc/77/46/94/607774694.db2.gz KSNPYHFYWBFXNR-UHFFFAOYSA-N -1 3 317.349 2.882 20 0 DFADHM CC1CCC(=CC(=O)N(C)c2ccccc2-c2nnn[n-]2)CC1 ZINC000824900038 607786012 /nfs/dbraw/zinc/78/60/12/607786012.db2.gz RXCUWZXEZYIWGL-UHFFFAOYSA-N -1 3 311.389 2.966 20 0 DFADHM CC1CCC(=CC(=O)N(C)c2ccccc2-c2nn[n-]n2)CC1 ZINC000824900038 607786013 /nfs/dbraw/zinc/78/60/13/607786013.db2.gz RXCUWZXEZYIWGL-UHFFFAOYSA-N -1 3 311.389 2.966 20 0 DFADHM Cc1cccc([C@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826295916 607788310 /nfs/dbraw/zinc/78/83/10/607788310.db2.gz CTHWWZORSXJOOD-ZDUSSCGKSA-N -1 3 321.384 2.942 20 0 DFADHM Cc1cccc([C@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826295916 607788311 /nfs/dbraw/zinc/78/83/11/607788311.db2.gz CTHWWZORSXJOOD-ZDUSSCGKSA-N -1 3 321.384 2.942 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826295915 607788571 /nfs/dbraw/zinc/78/85/71/607788571.db2.gz CTHWWZORSXJOOD-CYBMUJFWSA-N -1 3 321.384 2.942 20 0 DFADHM Cc1cccc([C@@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826295915 607788572 /nfs/dbraw/zinc/78/85/72/607788572.db2.gz CTHWWZORSXJOOD-CYBMUJFWSA-N -1 3 321.384 2.942 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCC1=CCCC1 ZINC000826278215 607803087 /nfs/dbraw/zinc/80/30/87/607803087.db2.gz UPSNZSGXMASEPO-UHFFFAOYSA-N -1 3 312.377 2.797 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCC1=CCCC1 ZINC000826278215 607803088 /nfs/dbraw/zinc/80/30/88/607803088.db2.gz UPSNZSGXMASEPO-UHFFFAOYSA-N -1 3 312.377 2.797 20 0 DFADHM CC1(c2ccccc2)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824844098 607810027 /nfs/dbraw/zinc/81/00/27/607810027.db2.gz PGPTXQNBZVQFFA-UHFFFAOYSA-N -1 3 320.400 2.820 20 0 DFADHM CC1(c2ccccc2)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824844098 607810028 /nfs/dbraw/zinc/81/00/28/607810028.db2.gz PGPTXQNBZVQFFA-UHFFFAOYSA-N -1 3 320.400 2.820 20 0 DFADHM CC1(C)C[C@@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000824789845 607821368 /nfs/dbraw/zinc/82/13/68/607821368.db2.gz JQDGUTRBQIXXKH-LBPRGKRZSA-N -1 3 324.388 2.784 20 0 DFADHM CC1(C)C[C@@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000824789845 607821369 /nfs/dbraw/zinc/82/13/69/607821369.db2.gz JQDGUTRBQIXXKH-LBPRGKRZSA-N -1 3 324.388 2.784 20 0 DFADHM CCc1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825718306 607869918 /nfs/dbraw/zinc/86/99/18/607869918.db2.gz ZMTULADLWOIUSX-INIZCTEOSA-N -1 3 310.357 2.542 20 0 DFADHM CCc1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825718306 607869919 /nfs/dbraw/zinc/86/99/19/607869919.db2.gz ZMTULADLWOIUSX-INIZCTEOSA-N -1 3 310.357 2.542 20 0 DFADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000826504616 607872987 /nfs/dbraw/zinc/87/29/87/607872987.db2.gz ZXLGXKXMMFCVKB-CYBMUJFWSA-N -1 3 316.748 2.633 20 0 DFADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000826504616 607872988 /nfs/dbraw/zinc/87/29/88/607872988.db2.gz ZXLGXKXMMFCVKB-CYBMUJFWSA-N -1 3 316.748 2.633 20 0 DFADHM Cc1noc(C)c1CCSc1ccc(-c2nnn[n-]2)cc1 ZINC000826338725 607893476 /nfs/dbraw/zinc/89/34/76/607893476.db2.gz GCISPLWSNGGFSA-UHFFFAOYSA-N -1 3 301.375 2.806 20 0 DFADHM Cc1noc(C)c1CCSc1ccc(-c2nn[n-]n2)cc1 ZINC000826338725 607893477 /nfs/dbraw/zinc/89/34/77/607893477.db2.gz GCISPLWSNGGFSA-UHFFFAOYSA-N -1 3 301.375 2.806 20 0 DFADHM CC1=CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)CC1 ZINC000824858658 607903693 /nfs/dbraw/zinc/90/36/93/607903693.db2.gz LQFMHXPJBGHEQI-UHFFFAOYSA-N -1 3 306.373 2.880 20 0 DFADHM CC1=CCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)CC1 ZINC000824858658 607903694 /nfs/dbraw/zinc/90/36/94/607903694.db2.gz LQFMHXPJBGHEQI-UHFFFAOYSA-N -1 3 306.373 2.880 20 0 DFADHM O=Cc1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000826484200 607905583 /nfs/dbraw/zinc/90/55/83/607905583.db2.gz RVVIIGMWHSWHTN-UHFFFAOYSA-N -1 3 319.683 2.659 20 0 DFADHM O=Cc1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000826484200 607905584 /nfs/dbraw/zinc/90/55/84/607905584.db2.gz RVVIIGMWHSWHTN-UHFFFAOYSA-N -1 3 319.683 2.659 20 0 DFADHM CC1=C(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)CCCO1 ZINC000824852047 607923174 /nfs/dbraw/zinc/92/31/74/607923174.db2.gz HSSVDWUMUHPIFF-SNVBAGLBSA-N -1 3 314.345 2.555 20 0 DFADHM CC1=C(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)CCCO1 ZINC000824852047 607923175 /nfs/dbraw/zinc/92/31/75/607923175.db2.gz HSSVDWUMUHPIFF-SNVBAGLBSA-N -1 3 314.345 2.555 20 0 DFADHM Cc1cccc(COc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826298142 607932059 /nfs/dbraw/zinc/93/20/59/607932059.db2.gz FZWSUHGTEWVCBT-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1cccc(COc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826298142 607932060 /nfs/dbraw/zinc/93/20/60/607932060.db2.gz FZWSUHGTEWVCBT-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC12CCC(CC1)C2 ZINC000826402531 607944887 /nfs/dbraw/zinc/94/48/87/607944887.db2.gz WJDVTGJTCXPWSB-WAYWQWQTSA-N -1 3 323.400 2.576 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCC12CCC(CC1)C2 ZINC000826402531 607944888 /nfs/dbraw/zinc/94/48/88/607944888.db2.gz WJDVTGJTCXPWSB-WAYWQWQTSA-N -1 3 323.400 2.576 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824927855 607945971 /nfs/dbraw/zinc/94/59/71/607945971.db2.gz QVWKDDUSPPEONF-RISCZKNCSA-N -1 3 311.389 2.582 20 0 DFADHM C[C@@H]1CCC[C@H](C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824927855 607945972 /nfs/dbraw/zinc/94/59/72/607945972.db2.gz QVWKDDUSPPEONF-RISCZKNCSA-N -1 3 311.389 2.582 20 0 DFADHM CCCC[C@@H](CC)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825259231 607950827 /nfs/dbraw/zinc/95/08/27/607950827.db2.gz HEPXJRHKZRWVAB-GFCCVEGCSA-N -1 3 313.405 2.972 20 0 DFADHM CCCC[C@@H](CC)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825259231 607950828 /nfs/dbraw/zinc/95/08/28/607950828.db2.gz HEPXJRHKZRWVAB-GFCCVEGCSA-N -1 3 313.405 2.972 20 0 DFADHM Cc1cnc(N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)nc1 ZINC000826318712 607965853 /nfs/dbraw/zinc/96/58/53/607965853.db2.gz 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/nfs/dbraw/zinc/97/34/52/607973452.db2.gz FOFMSYXSOLIVOS-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM COc1ccc(COc2ccc(F)cc2C)cc1-c1nn[n-]n1 ZINC000826207216 607973453 /nfs/dbraw/zinc/97/34/53/607973453.db2.gz FOFMSYXSOLIVOS-UHFFFAOYSA-N -1 3 314.320 2.902 20 0 DFADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)C1CCC(F)(F)CC1 ZINC000826464952 607977816 /nfs/dbraw/zinc/97/78/16/607977816.db2.gz SSWPAJSCCUMNDT-UHFFFAOYSA-N -1 3 322.315 2.735 20 0 DFADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)C1CCC(F)(F)CC1 ZINC000826464952 607977817 /nfs/dbraw/zinc/97/78/17/607977817.db2.gz SSWPAJSCCUMNDT-UHFFFAOYSA-N -1 3 322.315 2.735 20 0 DFADHM CCC(CC)[C@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000825097733 608050113 /nfs/dbraw/zinc/05/01/13/608050113.db2.gz YMYVEKWVQKLYOE-JTQLQIEISA-N -1 3 318.377 2.853 20 0 DFADHM CCC(CC)[C@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000825097733 608050114 /nfs/dbraw/zinc/05/01/14/608050114.db2.gz YMYVEKWVQKLYOE-JTQLQIEISA-N -1 3 318.377 2.853 20 0 DFADHM CC1(C)CCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824806790 608050497 /nfs/dbraw/zinc/05/04/97/608050497.db2.gz BLCRAHSLNPVVSC-UHFFFAOYSA-N -1 3 322.210 2.866 20 0 DFADHM FC1(F)CCC(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826370163 608053170 /nfs/dbraw/zinc/05/31/70/608053170.db2.gz GTEZICCQSZCKKS-UHFFFAOYSA-N -1 3 314.727 2.905 20 0 DFADHM FC1(F)CCC(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826370163 608053171 /nfs/dbraw/zinc/05/31/71/608053171.db2.gz GTEZICCQSZCKKS-UHFFFAOYSA-N -1 3 314.727 2.905 20 0 DFADHM Clc1cc(-c2nn[n-]n2)ccc1SCCn1ccnc1 ZINC000826350746 608077322 /nfs/dbraw/zinc/07/73/22/608077322.db2.gz JIODMRFVYXMHEY-UHFFFAOYSA-N -1 3 306.782 2.509 20 0 DFADHM CN(Cc1ccc(Cl)c(F)c1)c1ncccc1-c1nnn[n-]1 ZINC000825966132 608099375 /nfs/dbraw/zinc/09/93/75/608099375.db2.gz PKZOOOPRIAFAMC-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CN(Cc1ccc(Cl)c(F)c1)c1ncccc1-c1nn[n-]n1 ZINC000825966132 608099376 /nfs/dbraw/zinc/09/93/76/608099376.db2.gz PKZOOOPRIAFAMC-UHFFFAOYSA-N -1 3 318.743 2.691 20 0 DFADHM CC(C)n1cccc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824371346 608115185 /nfs/dbraw/zinc/11/51/85/608115185.db2.gz BCPFSULJZOWUGR-UHFFFAOYSA-N -1 3 324.388 2.521 20 0 DFADHM CC(C)n1cccc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824371346 608115186 /nfs/dbraw/zinc/11/51/86/608115186.db2.gz BCPFSULJZOWUGR-UHFFFAOYSA-N -1 3 324.388 2.521 20 0 DFADHM CC(C)n1cccc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824522423 608115293 /nfs/dbraw/zinc/11/52/93/608115293.db2.gz SKUWSADKPRSVOO-GFCCVEGCSA-N -1 3 324.388 2.740 20 0 DFADHM CC(C)n1cccc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824522423 608115294 /nfs/dbraw/zinc/11/52/94/608115294.db2.gz SKUWSADKPRSVOO-GFCCVEGCSA-N -1 3 324.388 2.740 20 0 DFADHM c1ccc2c(c1)nc(N1CC[C@H](C3CC3)C1)cc2-c1nnn[n-]1 ZINC000826522885 608151969 /nfs/dbraw/zinc/15/19/69/608151969.db2.gz SDDOYUAGRTWTBK-LBPRGKRZSA-N -1 3 306.373 2.651 20 0 DFADHM c1ccc2c(c1)nc(N1CC[C@H](C3CC3)C1)cc2-c1nn[n-]n1 ZINC000826522885 608151970 /nfs/dbraw/zinc/15/19/70/608151970.db2.gz SDDOYUAGRTWTBK-LBPRGKRZSA-N -1 3 306.373 2.651 20 0 DFADHM c1cnc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC000826516490 608152886 /nfs/dbraw/zinc/15/28/86/608152886.db2.gz MRJLFKYXRFVKTF-UHFFFAOYSA-N -1 3 303.325 2.994 20 0 DFADHM c1cnc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC000826516490 608152888 /nfs/dbraw/zinc/15/28/88/608152888.db2.gz MRJLFKYXRFVKTF-UHFFFAOYSA-N -1 3 303.325 2.994 20 0 DFADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000826465781 608176463 /nfs/dbraw/zinc/17/64/63/608176463.db2.gz BUBCJQILESMHPX-UHFFFAOYSA-N -1 3 320.761 2.939 20 0 DFADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000826465781 608176464 /nfs/dbraw/zinc/17/64/64/608176464.db2.gz BUBCJQILESMHPX-UHFFFAOYSA-N -1 3 320.761 2.939 20 0 DFADHM O=C(CCCC(F)(F)F)OCc1ccccc1-c1nnn[n-]1 ZINC000826406316 608179733 /nfs/dbraw/zinc/17/97/33/608179733.db2.gz RBZBMKQPCCQJDG-UHFFFAOYSA-N -1 3 314.267 2.643 20 0 DFADHM O=C(CCCC(F)(F)F)OCc1ccccc1-c1nn[n-]n1 ZINC000826406316 608179734 /nfs/dbraw/zinc/17/97/34/608179734.db2.gz RBZBMKQPCCQJDG-UHFFFAOYSA-N -1 3 314.267 2.643 20 0 DFADHM C[C@H]1C[C@H](CNc2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000824882363 608195049 /nfs/dbraw/zinc/19/50/49/608195049.db2.gz ANXLAVHCIYPLNV-NWDGAFQWSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H]1C[C@H](CNc2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000824882363 608195051 /nfs/dbraw/zinc/19/50/51/608195051.db2.gz ANXLAVHCIYPLNV-NWDGAFQWSA-N -1 3 324.388 2.642 20 0 DFADHM Fc1ccc(CC2(CNc3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000826374042 608195053 /nfs/dbraw/zinc/19/50/53/608195053.db2.gz JDGSDAKWHVTEEO-UHFFFAOYSA-N -1 3 324.363 2.836 20 0 DFADHM Fc1ccc(CC2(CNc3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000826374042 608195055 /nfs/dbraw/zinc/19/50/55/608195055.db2.gz JDGSDAKWHVTEEO-UHFFFAOYSA-N -1 3 324.363 2.836 20 0 DFADHM C[C@H]1C[C@H](CNc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824886365 608196106 /nfs/dbraw/zinc/19/61/06/608196106.db2.gz XSKVBEFGMUXIIC-VHSXEESVSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H]1C[C@H](CNc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824886365 608196108 /nfs/dbraw/zinc/19/61/08/608196108.db2.gz XSKVBEFGMUXIIC-VHSXEESVSA-N -1 3 307.785 2.747 20 0 DFADHM CCOC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825486301 608205885 /nfs/dbraw/zinc/20/58/85/608205885.db2.gz QJQHPEHAIFUTNA-SSDOTTSWSA-N -1 3 312.782 2.564 20 0 DFADHM CCOC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825486301 608205886 /nfs/dbraw/zinc/20/58/86/608205886.db2.gz QJQHPEHAIFUTNA-SSDOTTSWSA-N -1 3 312.782 2.564 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ncccc2C)n1 ZINC000826262903 608215090 /nfs/dbraw/zinc/21/50/90/608215090.db2.gz CPCJUBJOFKZPOG-UHFFFAOYSA-N -1 3 312.402 2.874 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ncccc2C)n1 ZINC000826262903 608215091 /nfs/dbraw/zinc/21/50/91/608215091.db2.gz CPCJUBJOFKZPOG-UHFFFAOYSA-N -1 3 312.402 2.874 20 0 DFADHM CCCCOCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825290689 608225095 /nfs/dbraw/zinc/22/50/95/608225095.db2.gz FMMBALNFNMPGOS-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM CCCCOCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825290689 608225096 /nfs/dbraw/zinc/22/50/96/608225096.db2.gz FMMBALNFNMPGOS-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1COc1ccc2cncnc2c1 ZINC000826372027 608235275 /nfs/dbraw/zinc/23/52/75/608235275.db2.gz DGVHSWSXMOSMPQ-UHFFFAOYSA-N -1 3 322.303 2.528 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1COc1ccc2cncnc2c1 ZINC000826372027 608235277 /nfs/dbraw/zinc/23/52/77/608235277.db2.gz DGVHSWSXMOSMPQ-UHFFFAOYSA-N -1 3 322.303 2.528 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825194424 608240590 /nfs/dbraw/zinc/24/05/90/608240590.db2.gz QQGNVOYNOZXUOM-ZWNOBZJWSA-N -1 3 300.366 2.662 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825194424 608240591 /nfs/dbraw/zinc/24/05/91/608240591.db2.gz QQGNVOYNOZXUOM-ZWNOBZJWSA-N -1 3 300.366 2.662 20 0 DFADHM CC(C)[C@@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000824213437 608242326 /nfs/dbraw/zinc/24/23/26/608242326.db2.gz BFBWKFRMQSFQPY-JQWIXIFHSA-N -1 3 322.800 2.531 20 0 DFADHM CC(C)[C@@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000824213437 608242327 /nfs/dbraw/zinc/24/23/27/608242327.db2.gz BFBWKFRMQSFQPY-JQWIXIFHSA-N -1 3 322.800 2.531 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825194734 608245747 /nfs/dbraw/zinc/24/57/47/608245747.db2.gz SLBCHROTDNBWAK-KVLWQBRYSA-N -1 3 311.389 2.669 20 0 DFADHM CC[C@@H]1CC[C@H](C)N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825194734 608245749 /nfs/dbraw/zinc/24/57/49/608245749.db2.gz SLBCHROTDNBWAK-KVLWQBRYSA-N -1 3 311.389 2.669 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825192492 608262177 /nfs/dbraw/zinc/26/21/77/608262177.db2.gz HKSOQTRPBHOIEU-YPMHNXCESA-N -1 3 314.393 2.970 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825192492 608262178 /nfs/dbraw/zinc/26/21/78/608262178.db2.gz HKSOQTRPBHOIEU-YPMHNXCESA-N -1 3 314.393 2.970 20 0 DFADHM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nccs1 ZINC000824531584 608270691 /nfs/dbraw/zinc/27/06/91/608270691.db2.gz PNUYCTBLGBGFLH-VHSXEESVSA-N -1 3 300.391 2.735 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2Cc3ccccc3[C@@H](C)C2)n1 ZINC000826275253 608271123 /nfs/dbraw/zinc/27/11/23/608271123.db2.gz UIMQYTRDPWZKEM-NSHDSACASA-N -1 3 306.373 2.694 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2Cc3ccccc3[C@@H](C)C2)n1 ZINC000826275253 608271124 /nfs/dbraw/zinc/27/11/24/608271124.db2.gz UIMQYTRDPWZKEM-NSHDSACASA-N -1 3 306.373 2.694 20 0 DFADHM Cc1ccc(CCNc2nc3c(cc2-c2nnn[n-]2)CCCC3)o1 ZINC000826287162 608274887 /nfs/dbraw/zinc/27/48/87/608274887.db2.gz FOGKPPWBMDTHQB-UHFFFAOYSA-N -1 3 324.388 2.697 20 0 DFADHM Cc1ccc(CCNc2nc3c(cc2-c2nn[n-]n2)CCCC3)o1 ZINC000826287162 608274888 /nfs/dbraw/zinc/27/48/88/608274888.db2.gz FOGKPPWBMDTHQB-UHFFFAOYSA-N -1 3 324.388 2.697 20 0 DFADHM COc1ccc(CN(C)c2nc(C)ccc2-c2nnn[n-]2)cc1C ZINC000826193294 608283134 /nfs/dbraw/zinc/28/31/34/608283134.db2.gz ZDLUUKJZJRDVEQ-UHFFFAOYSA-N -1 3 324.388 2.524 20 0 DFADHM COc1ccc(CN(C)c2nc(C)ccc2-c2nn[n-]n2)cc1C ZINC000826193294 608283136 /nfs/dbraw/zinc/28/31/36/608283136.db2.gz ZDLUUKJZJRDVEQ-UHFFFAOYSA-N -1 3 324.388 2.524 20 0 DFADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1ccn(-c2ccccc2)n1 ZINC000823861835 608287518 /nfs/dbraw/zinc/28/75/18/608287518.db2.gz RRBLCHMJQFSKPD-CMDGGOBGSA-N -1 3 315.340 2.618 20 0 DFADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1ccn(-c2ccccc2)n1 ZINC000823861835 608287520 /nfs/dbraw/zinc/28/75/20/608287520.db2.gz RRBLCHMJQFSKPD-CMDGGOBGSA-N -1 3 315.340 2.618 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](c3ccccc3)C[C@H]2C)n1 ZINC000826274108 608287891 /nfs/dbraw/zinc/28/78/91/608287891.db2.gz GYWIBGJXUSHZKK-HIFRSBDPSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](c3ccccc3)C[C@H]2C)n1 ZINC000826274108 608287892 /nfs/dbraw/zinc/28/78/92/608287892.db2.gz GYWIBGJXUSHZKK-HIFRSBDPSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1cccc(O[C@@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC000826299974 608291549 /nfs/dbraw/zinc/29/15/49/608291549.db2.gz CKDGXMQYZFHTMK-ZDUSSCGKSA-N -1 3 324.388 2.758 20 0 DFADHM Cc1cccc(O[C@@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC000826299974 608291550 /nfs/dbraw/zinc/29/15/50/608291550.db2.gz CKDGXMQYZFHTMK-ZDUSSCGKSA-N -1 3 324.388 2.758 20 0 DFADHM COc1cccc2c1CC[C@H]2Nc1nc(C)ccc1-c1nnn[n-]1 ZINC000826217983 608296564 /nfs/dbraw/zinc/29/65/64/608296564.db2.gz KJOWLVSGFXYLRN-CQSZACIVSA-N -1 3 322.372 2.678 20 0 DFADHM COc1cccc2c1CC[C@H]2Nc1nc(C)ccc1-c1nn[n-]n1 ZINC000826217983 608296566 /nfs/dbraw/zinc/29/65/66/608296566.db2.gz KJOWLVSGFXYLRN-CQSZACIVSA-N -1 3 322.372 2.678 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)[C@@H]2COc3ccccc32)n1 ZINC000826274970 608300357 /nfs/dbraw/zinc/30/03/57/608300357.db2.gz KMDINVGSJWRPMP-FZMZJTMJSA-N -1 3 322.372 2.547 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)[C@@H]2COc3ccccc32)n1 ZINC000826274970 608300358 /nfs/dbraw/zinc/30/03/58/608300358.db2.gz KMDINVGSJWRPMP-FZMZJTMJSA-N -1 3 322.372 2.547 20 0 DFADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1ncccc1-c1nnn[n-]1 ZINC000826376358 608306855 /nfs/dbraw/zinc/30/68/55/608306855.db2.gz ZVVJWFQGXWBKHL-AWEZNQCLSA-N -1 3 310.336 2.890 20 0 DFADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1ncccc1-c1nn[n-]n1 ZINC000826376358 608306857 /nfs/dbraw/zinc/30/68/57/608306857.db2.gz ZVVJWFQGXWBKHL-AWEZNQCLSA-N -1 3 310.336 2.890 20 0 DFADHM Fc1ccc2c(c1)CCC[C@@H]2NCc1ccc(-c2nnn[n-]2)o1 ZINC000826376219 608309968 /nfs/dbraw/zinc/30/99/68/608309968.db2.gz TVHWKZUTARJFPY-AWEZNQCLSA-N -1 3 313.336 2.766 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(F)c(F)c1 ZINC000826170621 608319569 /nfs/dbraw/zinc/31/95/69/608319569.db2.gz IPTNSPIEMOVFNX-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(F)c(F)c1 ZINC000826170621 608319571 /nfs/dbraw/zinc/31/95/71/608319571.db2.gz IPTNSPIEMOVFNX-UHFFFAOYSA-N -1 3 317.299 2.766 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(Cl)nc1 ZINC000826172998 608325219 /nfs/dbraw/zinc/32/52/19/608325219.db2.gz ICWKRMYGMJTLLV-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(Cl)nc1 ZINC000826172998 608325220 /nfs/dbraw/zinc/32/52/20/608325220.db2.gz ICWKRMYGMJTLLV-UHFFFAOYSA-N -1 3 317.736 2.503 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1 ZINC000825977131 608386556 /nfs/dbraw/zinc/38/65/56/608386556.db2.gz YAROCVVVNASEAP-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1 ZINC000825977131 608386558 /nfs/dbraw/zinc/38/65/58/608386558.db2.gz YAROCVVVNASEAP-UHFFFAOYSA-N -1 3 301.300 2.781 20 0 DFADHM CCCCCSC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825276465 608391877 /nfs/dbraw/zinc/39/18/77/608391877.db2.gz XZCKHENYHFNRMV-ZDUSSCGKSA-N -1 3 322.434 2.530 20 0 DFADHM CCSCCSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825674891 608406339 /nfs/dbraw/zinc/40/63/39/608406339.db2.gz UGJXJFLDRKGQOA-UHFFFAOYSA-N -1 3 310.448 2.862 20 0 DFADHM CO[C@H]1CCC[C@H]1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826146026 608417284 /nfs/dbraw/zinc/41/72/84/608417284.db2.gz OZLSVVLAVQAKPK-ZANVPECISA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@H]1CCC[C@H]1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826146026 608417285 /nfs/dbraw/zinc/41/72/85/608417285.db2.gz OZLSVVLAVQAKPK-ZANVPECISA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H](c1ccncc1)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824778449 608417855 /nfs/dbraw/zinc/41/78/55/608417855.db2.gz PDGVIHGBVNSYMY-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM C[C@H](c1ccncc1)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824778449 608417856 /nfs/dbraw/zinc/41/78/56/608417856.db2.gz PDGVIHGBVNSYMY-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM Cc1c(NCc2ccc(-c3nnn[n-]3)s2)cnn1CC(C)C ZINC000826242235 608428402 /nfs/dbraw/zinc/42/84/02/608428402.db2.gz GKQGPHPYVDBTSJ-UHFFFAOYSA-N -1 3 317.422 2.701 20 0 DFADHM C[C@H]1CC(Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@H](C)O1 ZINC000824893498 608444936 /nfs/dbraw/zinc/44/49/36/608444936.db2.gz RHKCQNBKEQCTRC-QWRGUYRKSA-N -1 3 324.388 2.783 20 0 DFADHM C[C@H]1CC(Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@H](C)O1 ZINC000824893498 608444937 /nfs/dbraw/zinc/44/49/37/608444937.db2.gz RHKCQNBKEQCTRC-QWRGUYRKSA-N -1 3 324.388 2.783 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCc3cccc(F)c3C2)n1 ZINC000826262173 608445243 /nfs/dbraw/zinc/44/52/43/608445243.db2.gz GLDZAIWIWGWWKF-UHFFFAOYSA-N -1 3 324.363 2.580 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCc3cccc(F)c3C2)n1 ZINC000826262173 608445244 /nfs/dbraw/zinc/44/52/44/608445244.db2.gz GLDZAIWIWGWWKF-UHFFFAOYSA-N -1 3 324.363 2.580 20 0 DFADHM CC=C(C=CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)CC ZINC000825029399 608452931 /nfs/dbraw/zinc/45/29/31/608452931.db2.gz RJZAFVRYSHOZBR-PXGQUBIOSA-N -1 3 316.336 2.962 20 0 DFADHM CC=C(C=CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)CC ZINC000825029399 608452932 /nfs/dbraw/zinc/45/29/32/608452932.db2.gz RJZAFVRYSHOZBR-PXGQUBIOSA-N -1 3 316.336 2.962 20 0 DFADHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)oc1C ZINC000826261728 608453684 /nfs/dbraw/zinc/45/36/84/608453684.db2.gz PNYBKBWVUWPELT-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)oc1C ZINC000826261728 608453686 /nfs/dbraw/zinc/45/36/86/608453686.db2.gz PNYBKBWVUWPELT-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM C[C@@H](NCc1noc2c1CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633206 608465500 /nfs/dbraw/zinc/46/55/00/608465500.db2.gz HWOSGOJBOVYYPG-LLVKDONJSA-N -1 3 324.388 2.584 20 0 DFADHM C[C@@H](NCc1noc2c1CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000824634699 608488781 /nfs/dbraw/zinc/48/87/81/608488781.db2.gz XIQGUZCLEBQRQT-LLVKDONJSA-N -1 3 324.388 2.584 20 0 DFADHM CCCc1csc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825352369 608490335 /nfs/dbraw/zinc/49/03/35/608490335.db2.gz MRXRNSRLUDGKKA-UHFFFAOYSA-N -1 3 314.374 2.528 20 0 DFADHM CCCc1csc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825352369 608490337 /nfs/dbraw/zinc/49/03/37/608490337.db2.gz MRXRNSRLUDGKKA-UHFFFAOYSA-N -1 3 314.374 2.528 20 0 DFADHM Cc1ccc(CN(Cc2cc(-c3nnn[n-]3)cs2)C2CC2)o1 ZINC000826287739 608519499 /nfs/dbraw/zinc/51/94/99/608519499.db2.gz AMCDBXHTYKATPD-UHFFFAOYSA-N -1 3 315.402 2.994 20 0 DFADHM Cc1ccc(CN(Cc2cc(-c3nn[n-]n3)cs2)C2CC2)o1 ZINC000826287739 608519500 /nfs/dbraw/zinc/51/95/00/608519500.db2.gz AMCDBXHTYKATPD-UHFFFAOYSA-N -1 3 315.402 2.994 20 0 DFADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccc2c(c1)COC2 ZINC000826373496 608543002 /nfs/dbraw/zinc/54/30/02/608543002.db2.gz OIKBIUDFTQVANU-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ccc2c(c1)COC2 ZINC000826373496 608543000 /nfs/dbraw/zinc/54/30/00/608543000.db2.gz OIKBIUDFTQVANU-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM CC1(C)CC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824802276 608543884 /nfs/dbraw/zinc/54/38/84/608543884.db2.gz LJDSCHDKQFZKGY-GFCCVEGCSA-N -1 3 300.366 2.567 20 0 DFADHM CC1(C)CC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824802276 608543885 /nfs/dbraw/zinc/54/38/85/608543885.db2.gz LJDSCHDKQFZKGY-GFCCVEGCSA-N -1 3 300.366 2.567 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)nc1NCc1cccc2cccnc21 ZINC000826280486 608544130 /nfs/dbraw/zinc/54/41/30/608544130.db2.gz DBDIYCNVVUBFAS-UHFFFAOYSA-N -1 3 317.356 2.730 20 0 DFADHM CC(C)CCC(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824243684 608571429 /nfs/dbraw/zinc/57/14/29/608571429.db2.gz LYAMYMRNLBINLT-UHFFFAOYSA-N -1 3 314.393 2.515 20 0 DFADHM CC(C)CCC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824243684 608571431 /nfs/dbraw/zinc/57/14/31/608571431.db2.gz LYAMYMRNLBINLT-UHFFFAOYSA-N -1 3 314.393 2.515 20 0 DFADHM CCOC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000825494277 608582877 /nfs/dbraw/zinc/58/28/77/608582877.db2.gz VFVVSZHKHDBMCU-GFCCVEGCSA-N -1 3 324.381 2.686 20 0 DFADHM CCOC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000825494277 608582875 /nfs/dbraw/zinc/58/28/75/608582875.db2.gz VFVVSZHKHDBMCU-GFCCVEGCSA-N -1 3 324.381 2.686 20 0 DFADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824936513 608600461 /nfs/dbraw/zinc/60/04/61/608600461.db2.gz IJQJQAIGAOWPSB-VHSXEESVSA-N -1 3 318.356 2.658 20 0 DFADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824936513 608600462 /nfs/dbraw/zinc/60/04/62/608600462.db2.gz IJQJQAIGAOWPSB-VHSXEESVSA-N -1 3 318.356 2.658 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000826277700 608601230 /nfs/dbraw/zinc/60/12/30/608601230.db2.gz DIEOXQXCUMMSIT-GFCCVEGCSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000826277700 608601233 /nfs/dbraw/zinc/60/12/33/608601233.db2.gz DIEOXQXCUMMSIT-GFCCVEGCSA-N -1 3 314.393 2.875 20 0 DFADHM C[C@H](c1ccco1)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824770817 608647113 /nfs/dbraw/zinc/64/71/13/608647113.db2.gz MTVJQKCOSHZVTO-SNVBAGLBSA-N -1 3 301.325 2.792 20 0 DFADHM C[C@H](c1ccco1)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824770817 608647116 /nfs/dbraw/zinc/64/71/16/608647116.db2.gz MTVJQKCOSHZVTO-SNVBAGLBSA-N -1 3 301.325 2.792 20 0 DFADHM Fc1ccc(F)c(OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826375177 608673176 /nfs/dbraw/zinc/67/31/76/608673176.db2.gz CCNFPRNSNSNWQY-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(F)c(OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826375177 608673177 /nfs/dbraw/zinc/67/31/77/608673177.db2.gz CCNFPRNSNSNWQY-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM C[C@@]1(c2ccccc2)CCCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000824844159 608783535 /nfs/dbraw/zinc/78/35/35/608783535.db2.gz QZHLWFMGTMHPHM-GOSISDBHSA-N -1 3 320.400 2.820 20 0 DFADHM C[C@@]1(c2ccccc2)CCCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000824844159 608783537 /nfs/dbraw/zinc/78/35/37/608783537.db2.gz QZHLWFMGTMHPHM-GOSISDBHSA-N -1 3 320.400 2.820 20 0 DFADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cnccc1-c1nnn[n-]1 ZINC000824899837 608786430 /nfs/dbraw/zinc/78/64/30/608786430.db2.gz PFYPBJQZIJHSRJ-YPMHNXCESA-N -1 3 324.363 2.783 20 0 DFADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cnccc1-c1nn[n-]n1 ZINC000824899837 608786432 /nfs/dbraw/zinc/78/64/32/608786432.db2.gz PFYPBJQZIJHSRJ-YPMHNXCESA-N -1 3 324.363 2.783 20 0 DFADHM Fc1cccc(C2(CNc3cnccc3-c3nnn[n-]3)CC2)c1 ZINC000826376900 608787315 /nfs/dbraw/zinc/78/73/15/608787315.db2.gz XLHNAPGUMGVVTE-UHFFFAOYSA-N -1 3 310.336 2.545 20 0 DFADHM Fc1cccc(C2(CNc3cnccc3-c3nn[n-]n3)CC2)c1 ZINC000826376900 608787318 /nfs/dbraw/zinc/78/73/18/608787318.db2.gz XLHNAPGUMGVVTE-UHFFFAOYSA-N -1 3 310.336 2.545 20 0 DFADHM CCCCO[C@@H]1C[C@H](Nc2cnccc2-c2nnn[n-]2)C1(C)C ZINC000825290913 608788880 /nfs/dbraw/zinc/78/88/80/608788880.db2.gz JXEFTNDGGBXSNH-UONOGXRCSA-N -1 3 316.409 2.657 20 0 DFADHM CCCCO[C@@H]1C[C@H](Nc2cnccc2-c2nn[n-]n2)C1(C)C ZINC000825290913 608788882 /nfs/dbraw/zinc/78/88/82/608788882.db2.gz JXEFTNDGGBXSNH-UONOGXRCSA-N -1 3 316.409 2.657 20 0 DFADHM CN(Cc1cc2ccccc2o1)c1cnccc1-c1nnn[n-]1 ZINC000825953277 608789236 /nfs/dbraw/zinc/78/92/36/608789236.db2.gz CNXRGVIAMAYLIE-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CN(Cc1cc2ccccc2o1)c1cnccc1-c1nn[n-]n1 ZINC000825953277 608789239 /nfs/dbraw/zinc/78/92/39/608789239.db2.gz CNXRGVIAMAYLIE-UHFFFAOYSA-N -1 3 306.329 2.644 20 0 DFADHM CC[C@H](CNc1cnccc1-c1nnn[n-]1)Oc1ccccc1C ZINC000825121730 608789267 /nfs/dbraw/zinc/78/92/67/608789267.db2.gz VEXCTOCSVYMGPK-CYBMUJFWSA-N -1 3 324.388 2.840 20 0 DFADHM CC[C@H](CNc1cnccc1-c1nn[n-]n1)Oc1ccccc1C ZINC000825121730 608789270 /nfs/dbraw/zinc/78/92/70/608789270.db2.gz VEXCTOCSVYMGPK-CYBMUJFWSA-N -1 3 324.388 2.840 20 0 DFADHM CC1(C)CN(c2cnccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000824813203 608795659 /nfs/dbraw/zinc/79/56/59/608795659.db2.gz VPMGHUWVNKGEKT-UHFFFAOYSA-N -1 3 306.373 2.560 20 0 DFADHM CC1(C)CN(c2cnccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824813203 608795660 /nfs/dbraw/zinc/79/56/60/608795660.db2.gz VPMGHUWVNKGEKT-UHFFFAOYSA-N -1 3 306.373 2.560 20 0 DFADHM Fc1cc(F)c(CNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826372910 608866796 /nfs/dbraw/zinc/86/67/96/608866796.db2.gz RAFGTLCTSSXAEZ-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM c1csc(-c2n[nH]cc2CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826526228 608869560 /nfs/dbraw/zinc/86/95/60/608869560.db2.gz PWKJSRJXBCJFIO-UHFFFAOYSA-N -1 3 323.385 2.930 20 0 DFADHM Cc1cnc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826317909 609145317 /nfs/dbraw/zinc/14/53/17/609145317.db2.gz PNNYKGUYBGQCIY-LBPRGKRZSA-N -1 3 323.356 2.797 20 0 DFADHM Cc1cnc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826317909 609145319 /nfs/dbraw/zinc/14/53/19/609145319.db2.gz PNNYKGUYBGQCIY-LBPRGKRZSA-N -1 3 323.356 2.797 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCO[C@H](CC(C)C)C2)n1 ZINC000826276289 609172157 /nfs/dbraw/zinc/17/21/57/609172157.db2.gz ZSTZTCCTTTVJLC-CHWSQXEVSA-N -1 3 316.409 2.576 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCO[C@H](CC(C)C)C2)n1 ZINC000826276289 609172159 /nfs/dbraw/zinc/17/21/59/609172159.db2.gz ZSTZTCCTTTVJLC-CHWSQXEVSA-N -1 3 316.409 2.576 20 0 DFADHM c1cc(-c2nnn[n-]2)sc1CN1CC2(CC2)c2ccccc21 ZINC000826523782 609174391 /nfs/dbraw/zinc/17/43/91/609174391.db2.gz XTLORFFUHCJBJS-UHFFFAOYSA-N -1 3 309.398 2.980 20 0 DFADHM c1nc2ccccn2c1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826524979 609177477 /nfs/dbraw/zinc/17/74/77/609177477.db2.gz QQOWWHQWIVRYSM-UHFFFAOYSA-N -1 3 308.370 2.807 20 0 DFADHM c1nc2ccccn2c1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826524979 609177478 /nfs/dbraw/zinc/17/74/78/609177478.db2.gz QQOWWHQWIVRYSM-UHFFFAOYSA-N -1 3 308.370 2.807 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NCCC(F)(F)F ZINC000825480705 609178981 /nfs/dbraw/zinc/17/89/81/609178981.db2.gz HFAPFFSAMAMOGU-UHFFFAOYSA-N -1 3 300.288 2.663 20 0 DFADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825068328 609189456 /nfs/dbraw/zinc/18/94/56/609189456.db2.gz QHQQLEYUCQOTKQ-GFCCVEGCSA-N -1 3 324.388 2.636 20 0 DFADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825068328 609189458 /nfs/dbraw/zinc/18/94/58/609189458.db2.gz QHQQLEYUCQOTKQ-GFCCVEGCSA-N -1 3 324.388 2.636 20 0 DFADHM CC(C)CCN(CCC(C)C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824249440 609193149 /nfs/dbraw/zinc/19/31/49/609193149.db2.gz NNQHEWRBVSIKHZ-UHFFFAOYSA-N -1 3 318.425 2.729 20 0 DFADHM CC(C)CCN(CCC(C)C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824249440 609193151 /nfs/dbraw/zinc/19/31/51/609193151.db2.gz NNQHEWRBVSIKHZ-UHFFFAOYSA-N -1 3 318.425 2.729 20 0 DFADHM Cc1ccccc1[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC000826306075 609211904 /nfs/dbraw/zinc/21/19/04/609211904.db2.gz PMNVFRBRDSEHTR-HNNXBMFYSA-N -1 3 324.388 2.630 20 0 DFADHM Cc1ccccc1[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC000826306075 609211905 /nfs/dbraw/zinc/21/19/05/609211905.db2.gz PMNVFRBRDSEHTR-HNNXBMFYSA-N -1 3 324.388 2.630 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ncc(Cl)s1 ZINC000825976541 609213546 /nfs/dbraw/zinc/21/35/46/609213546.db2.gz KQJUBCJGONKVKO-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ncc(Cl)s1 ZINC000825976541 609213548 /nfs/dbraw/zinc/21/35/48/609213548.db2.gz KQJUBCJGONKVKO-UHFFFAOYSA-N -1 3 306.782 2.613 20 0 DFADHM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1cc(F)c(F)c(F)c1 ZINC000825953321 609261308 /nfs/dbraw/zinc/26/13/08/609261308.db2.gz FBTIICALRONQII-UHFFFAOYSA-N -1 3 323.278 2.509 20 0 DFADHM CC(=O)Nc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823999994 609267190 /nfs/dbraw/zinc/26/71/90/609267190.db2.gz QCRMVWQQQOFTIK-LLVKDONJSA-N -1 3 322.372 2.998 20 0 DFADHM CC(=O)Nc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823999994 609267191 /nfs/dbraw/zinc/26/71/91/609267191.db2.gz QCRMVWQQQOFTIK-LLVKDONJSA-N -1 3 322.372 2.998 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825059657 609299309 /nfs/dbraw/zinc/29/93/09/609299309.db2.gz IKYZBHTZTMXGPZ-SECBINFHSA-N -1 3 307.785 2.638 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825059657 609299308 /nfs/dbraw/zinc/29/93/08/609299308.db2.gz IKYZBHTZTMXGPZ-SECBINFHSA-N -1 3 307.785 2.638 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](Nc2cnccc2-c2nnn[n-]2)CCO1 ZINC000825106851 609322330 /nfs/dbraw/zinc/32/23/30/609322330.db2.gz JWIJQLVCJITCCH-DOMZBBRYSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](Nc2cnccc2-c2nn[n-]n2)CCO1 ZINC000825106851 609322332 /nfs/dbraw/zinc/32/23/32/609322332.db2.gz JWIJQLVCJITCCH-DOMZBBRYSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000825107859 609322369 /nfs/dbraw/zinc/32/23/69/609322369.db2.gz SBCHJTSRLXCLDN-KGLIPLIRSA-N -1 3 316.409 2.657 20 0 DFADHM CCC(CC)[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000825107859 609322371 /nfs/dbraw/zinc/32/23/71/609322371.db2.gz SBCHJTSRLXCLDN-KGLIPLIRSA-N -1 3 316.409 2.657 20 0 DFADHM CCc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000825700551 609331449 /nfs/dbraw/zinc/33/14/49/609331449.db2.gz KAEXSPPWDZRMOU-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM CCc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000825700551 609331451 /nfs/dbraw/zinc/33/14/51/609331451.db2.gz KAEXSPPWDZRMOU-UHFFFAOYSA-N -1 3 307.357 2.990 20 0 DFADHM Cc1nn(C)c(C)c1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826333455 609350147 /nfs/dbraw/zinc/35/01/47/609350147.db2.gz IKSFTPPJHBCMBM-MRVPVSSYSA-N -1 3 315.356 2.529 20 0 DFADHM Cc1nn(C)c(C)c1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826333455 609350149 /nfs/dbraw/zinc/35/01/49/609350149.db2.gz IKSFTPPJHBCMBM-MRVPVSSYSA-N -1 3 315.356 2.529 20 0 DFADHM C[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824469654 609374932 /nfs/dbraw/zinc/37/49/32/609374932.db2.gz BHMKFKVEGMJQBC-FZMZJTMJSA-N -1 3 313.405 2.870 20 0 DFADHM C[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824469654 609374935 /nfs/dbraw/zinc/37/49/35/609374935.db2.gz BHMKFKVEGMJQBC-FZMZJTMJSA-N -1 3 313.405 2.870 20 0 DFADHM CC1(C)CC[C@H](C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000824796381 609380326 /nfs/dbraw/zinc/38/03/26/609380326.db2.gz PCBNAKXFGDLCKQ-VIFPVBQESA-N -1 3 303.341 2.771 20 0 DFADHM CC1(C)CC[C@H](C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000824796381 609380329 /nfs/dbraw/zinc/38/03/29/609380329.db2.gz PCBNAKXFGDLCKQ-VIFPVBQESA-N -1 3 303.341 2.771 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC000826262662 609391174 /nfs/dbraw/zinc/39/11/74/609391174.db2.gz UVWOMOCCDHRCMI-PIGZYNQJSA-N -1 3 312.421 2.895 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC000826262662 609391175 /nfs/dbraw/zinc/39/11/75/609391175.db2.gz UVWOMOCCDHRCMI-PIGZYNQJSA-N -1 3 312.421 2.895 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2ccccc2-c2nnn[n-]2)C1 ZINC000824797208 609392554 /nfs/dbraw/zinc/39/25/54/609392554.db2.gz XCWXFTMZAAQHMM-LLVKDONJSA-N -1 3 300.362 2.736 20 0 DFADHM CC1(C)CC[C@@H](C(=O)OCc2ccccc2-c2nn[n-]n2)C1 ZINC000824797208 609392556 /nfs/dbraw/zinc/39/25/56/609392556.db2.gz XCWXFTMZAAQHMM-LLVKDONJSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3sccc3-c3nnn[n-]3)C2)C1 ZINC000824918361 609396968 /nfs/dbraw/zinc/39/69/68/609396968.db2.gz PRLYASBGAHDDJB-BMIGLBTASA-N -1 3 317.418 2.581 20 0 DFADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3sccc3-c3nn[n-]n3)C2)C1 ZINC000824918361 609396969 /nfs/dbraw/zinc/39/69/69/609396969.db2.gz PRLYASBGAHDDJB-BMIGLBTASA-N -1 3 317.418 2.581 20 0 DFADHM C[C@H]1CC[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824915559 609396984 /nfs/dbraw/zinc/39/69/84/609396984.db2.gz GLDBYCVDWQZONY-SJCJKPOMSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@H]1CC[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824915559 609396986 /nfs/dbraw/zinc/39/69/86/609396986.db2.gz GLDBYCVDWQZONY-SJCJKPOMSA-N -1 3 311.389 2.519 20 0 DFADHM C[C@@H](Nc1cccc2c1OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662683 609441048 /nfs/dbraw/zinc/44/10/48/609441048.db2.gz PLAWBIXVJMCRBQ-SNVBAGLBSA-N -1 3 309.329 2.769 20 0 DFADHM C[C@@H](Nc1cccc2c1OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662683 609441051 /nfs/dbraw/zinc/44/10/51/609441051.db2.gz PLAWBIXVJMCRBQ-SNVBAGLBSA-N -1 3 309.329 2.769 20 0 DFADHM Fc1cccc(CCOc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826376837 609478893 /nfs/dbraw/zinc/47/88/93/609478893.db2.gz UZMPLBZHOCYFHD-UHFFFAOYSA-N -1 3 302.284 2.766 20 0 DFADHM Fc1cccc(CCOc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826376837 609478896 /nfs/dbraw/zinc/47/88/96/609478896.db2.gz UZMPLBZHOCYFHD-UHFFFAOYSA-N -1 3 302.284 2.766 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cccc2c1OCCO2 ZINC000826278729 609479253 /nfs/dbraw/zinc/47/92/53/609479253.db2.gz PTIWEIYQOUUQTB-UHFFFAOYSA-N -1 3 323.356 2.558 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cccc2c1OCCO2 ZINC000826278729 609479256 /nfs/dbraw/zinc/47/92/56/609479256.db2.gz PTIWEIYQOUUQTB-UHFFFAOYSA-N -1 3 323.356 2.558 20 0 DFADHM Cc1cccn2c(CNc3cc(-c4nn[n-]n4)ccc3C)cnc12 ZINC000826278611 609479732 /nfs/dbraw/zinc/47/97/32/609479732.db2.gz LPIUPGXZGUWSLP-UHFFFAOYSA-N -1 3 319.372 2.743 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cccc2cc[nH]c21 ZINC000826186817 609483601 /nfs/dbraw/zinc/48/36/01/609483601.db2.gz LXULPHMRGINKIM-UHFFFAOYSA-N -1 3 320.356 2.969 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cccc2cc[nH]c21 ZINC000826186817 609483603 /nfs/dbraw/zinc/48/36/03/609483603.db2.gz LXULPHMRGINKIM-UHFFFAOYSA-N -1 3 320.356 2.969 20 0 DFADHM Fc1cccc(CCOc2ccc(-c3nnn[n-]3)c(F)c2)c1F ZINC000826372728 609488834 /nfs/dbraw/zinc/48/88/34/609488834.db2.gz JBMLQWSCMBNMJC-UHFFFAOYSA-N -1 3 320.274 2.906 20 0 DFADHM Fc1cccc(CCOc2ccc(-c3nn[n-]n3)c(F)c2)c1F ZINC000826372728 609488835 /nfs/dbraw/zinc/48/88/35/609488835.db2.gz JBMLQWSCMBNMJC-UHFFFAOYSA-N -1 3 320.274 2.906 20 0 DFADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000826421193 609491738 /nfs/dbraw/zinc/49/17/38/609491738.db2.gz VVWZIXZYYKRABS-UHFFFAOYSA-N -1 3 310.382 2.771 20 0 DFADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000826421193 609491741 /nfs/dbraw/zinc/49/17/41/609491741.db2.gz VVWZIXZYYKRABS-UHFFFAOYSA-N -1 3 310.382 2.771 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC(C)(C)C1 ZINC000824974719 609494344 /nfs/dbraw/zinc/49/43/44/609494344.db2.gz DVJKMOKJAWSKGQ-LLVKDONJSA-N -1 3 314.393 2.767 20 0 DFADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000824974719 609494346 /nfs/dbraw/zinc/49/43/46/609494346.db2.gz DVJKMOKJAWSKGQ-LLVKDONJSA-N -1 3 314.393 2.767 20 0 DFADHM C[C@H](OC(=O)[C@@H]1CCC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824714458 609503527 /nfs/dbraw/zinc/50/35/27/609503527.db2.gz NEAFJLQSUSTGRE-UHIISALHSA-N -1 3 300.362 2.907 20 0 DFADHM C[C@H](OC(=O)[C@@H]1CCC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824714458 609503530 /nfs/dbraw/zinc/50/35/30/609503530.db2.gz NEAFJLQSUSTGRE-UHIISALHSA-N -1 3 300.362 2.907 20 0 DFADHM CC/C(C)=C(\C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000825050642 609509746 /nfs/dbraw/zinc/50/97/46/609509746.db2.gz KIJGYCKAXJANGL-MDZDMXLPSA-N -1 3 302.334 2.527 20 0 DFADHM CC/C(C)=C(\C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000825050642 609509747 /nfs/dbraw/zinc/50/97/47/609509747.db2.gz KIJGYCKAXJANGL-MDZDMXLPSA-N -1 3 302.334 2.527 20 0 DFADHM COc1ccccc1CCCNc1cccc(-c2nnn[n-]2)c1 ZINC000826219765 609510524 /nfs/dbraw/zinc/51/05/24/609510524.db2.gz PTIXNKHMYAXGGA-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM COc1ccccc1CCCNc1cccc(-c2nn[n-]n2)c1 ZINC000826219765 609510525 /nfs/dbraw/zinc/51/05/25/609510525.db2.gz PTIXNKHMYAXGGA-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM COc1ccccc1CCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000826219730 609510710 /nfs/dbraw/zinc/51/07/10/609510710.db2.gz OLQRWFCNFCTMBN-UHFFFAOYSA-N -1 3 309.373 2.920 20 0 DFADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)/C(C)=C(\C)CC ZINC000825609533 609510814 /nfs/dbraw/zinc/51/08/14/609510814.db2.gz ORXZNOFPCSROPD-ZHACJKMWSA-N -1 3 316.361 2.917 20 0 DFADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)/C(C)=C(\C)CC ZINC000825609533 609510815 /nfs/dbraw/zinc/51/08/15/609510815.db2.gz ORXZNOFPCSROPD-ZHACJKMWSA-N -1 3 316.361 2.917 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H](C)c2cccnc2)c1-c1nnn[n-]1 ZINC000826238973 609522458 /nfs/dbraw/zinc/52/24/58/609522458.db2.gz VCWBZGNKIAFGGR-VIFPVBQESA-N -1 3 315.768 2.792 20 0 DFADHM Cc1c(Cl)cnc(N[C@@H](C)c2cccnc2)c1-c1nn[n-]n1 ZINC000826238973 609522460 /nfs/dbraw/zinc/52/24/60/609522460.db2.gz VCWBZGNKIAFGGR-VIFPVBQESA-N -1 3 315.768 2.792 20 0 DFADHM Cc1ccnc(NCCCOC2CCCCC2)c1-c1nnn[n-]1 ZINC000826313303 609525994 /nfs/dbraw/zinc/52/59/94/609525994.db2.gz BJEOZVZTLNUKNS-UHFFFAOYSA-N -1 3 316.409 2.721 20 0 DFADHM Cc1ccnc(NCCCOC2CCCCC2)c1-c1nn[n-]n1 ZINC000826313303 609525997 /nfs/dbraw/zinc/52/59/97/609525997.db2.gz BJEOZVZTLNUKNS-UHFFFAOYSA-N -1 3 316.409 2.721 20 0 DFADHM Cc1ccnc(NC[C@H](C)N(C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826313162 609535343 /nfs/dbraw/zinc/53/53/43/609535343.db2.gz XRGXWLDJQBETJE-ZDUSSCGKSA-N -1 3 323.404 2.507 20 0 DFADHM Cc1ccnc(NC[C@H](C)N(C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826313162 609535345 /nfs/dbraw/zinc/53/53/45/609535345.db2.gz XRGXWLDJQBETJE-ZDUSSCGKSA-N -1 3 323.404 2.507 20 0 DFADHM Cc1c(Cl)cnc(NC[C@@H]2CC=CCC2)c1-c1nnn[n-]1 ZINC000826240042 609541533 /nfs/dbraw/zinc/54/15/33/609541533.db2.gz ZEAOIKNZQGXGTL-SNVBAGLBSA-N -1 3 304.785 2.992 20 0 DFADHM Cc1c(Cl)cnc(NC[C@@H]2CC=CCC2)c1-c1nn[n-]n1 ZINC000826240042 609541535 /nfs/dbraw/zinc/54/15/35/609541535.db2.gz ZEAOIKNZQGXGTL-SNVBAGLBSA-N -1 3 304.785 2.992 20 0 DFADHM Cc1ccnc(N[C@@H]2c3ccccc3C[C@H]2C)c1-c1nnn[n-]1 ZINC000826312709 609551980 /nfs/dbraw/zinc/55/19/80/609551980.db2.gz MOALJJISYGBYGG-ABAIWWIYSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccnc(N[C@@H]2c3ccccc3C[C@H]2C)c1-c1nn[n-]n1 ZINC000826312709 609551982 /nfs/dbraw/zinc/55/19/82/609551982.db2.gz MOALJJISYGBYGG-ABAIWWIYSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccnc(N2CCCC[C@@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000826311279 609555365 /nfs/dbraw/zinc/55/53/65/609555365.db2.gz ZJITYCSLUXLIDG-GFCCVEGCSA-N -1 3 310.361 2.895 20 0 DFADHM Cc1ccnc(N2CCCC[C@@H]2c2ccco2)c1-c1nn[n-]n1 ZINC000826311279 609555367 /nfs/dbraw/zinc/55/53/67/609555367.db2.gz ZJITYCSLUXLIDG-GFCCVEGCSA-N -1 3 310.361 2.895 20 0 DFADHM CS[C@@H]1CC[C@H](Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000826227397 609561372 /nfs/dbraw/zinc/56/13/72/609561372.db2.gz QGTSFDOFGGHEDW-DTWKUNHWSA-N -1 3 324.841 2.920 20 0 DFADHM CS[C@@H]1CC[C@H](Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000826227397 609561374 /nfs/dbraw/zinc/56/13/74/609561374.db2.gz QGTSFDOFGGHEDW-DTWKUNHWSA-N -1 3 324.841 2.920 20 0 DFADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)[C@H]1CCCOC1 ZINC000824651151 609562013 /nfs/dbraw/zinc/56/20/13/609562013.db2.gz WUHWZEKPSBDVLY-RYUDHWBXSA-N -1 3 324.388 2.642 20 0 DFADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)[C@H]1CCCOC1 ZINC000824651151 609562015 /nfs/dbraw/zinc/56/20/15/609562015.db2.gz WUHWZEKPSBDVLY-RYUDHWBXSA-N -1 3 324.388 2.642 20 0 DFADHM CCC[C@@]1(C)CCCN(c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000825248189 609563242 /nfs/dbraw/zinc/56/32/42/609563242.db2.gz PYVDSQQVNCSYQB-INIZCTEOSA-N -1 3 300.410 2.977 20 0 DFADHM CCC[C@@]1(C)CCCN(c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000825248189 609563243 /nfs/dbraw/zinc/56/32/43/609563243.db2.gz PYVDSQQVNCSYQB-INIZCTEOSA-N -1 3 300.410 2.977 20 0 DFADHM CCC(CC)(CNc1nccc(C)c1-c1nnn[n-]1)SC ZINC000825089435 609563303 /nfs/dbraw/zinc/56/33/03/609563303.db2.gz FQIHQFHIWQSYLP-UHFFFAOYSA-N -1 3 306.439 2.904 20 0 DFADHM CCC(CC)(CNc1nccc(C)c1-c1nn[n-]n1)SC ZINC000825089435 609563307 /nfs/dbraw/zinc/56/33/07/609563307.db2.gz FQIHQFHIWQSYLP-UHFFFAOYSA-N -1 3 306.439 2.904 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)C2 ZINC000826294160 609570108 /nfs/dbraw/zinc/57/01/08/609570108.db2.gz KOWARBUOBABGNA-ABAIWWIYSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)C2 ZINC000826294160 609570110 /nfs/dbraw/zinc/57/01/10/609570110.db2.gz KOWARBUOBABGNA-ABAIWWIYSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@@H](C)C2 ZINC000826294162 609570124 /nfs/dbraw/zinc/57/01/24/609570124.db2.gz KOWARBUOBABGNA-NHYWBVRUSA-N -1 3 306.373 2.916 20 0 DFADHM Cc1ccc2c(c1)[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@@H](C)C2 ZINC000826294162 609570126 /nfs/dbraw/zinc/57/01/26/609570126.db2.gz KOWARBUOBABGNA-NHYWBVRUSA-N -1 3 306.373 2.916 20 0 DFADHM c1ccc(OC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000826523045 609574191 /nfs/dbraw/zinc/57/41/91/609574191.db2.gz YKASQLVFXLTENJ-AWEZNQCLSA-N -1 3 321.384 2.772 20 0 DFADHM CCC1(CC)[C@@H](Nc2nccc(C)c2-c2nnn[n-]2)C[C@@H]1OC ZINC000825170833 609578102 /nfs/dbraw/zinc/57/81/02/609578102.db2.gz JATXEEMGPQXZCF-RYUDHWBXSA-N -1 3 316.409 2.576 20 0 DFADHM CCC1(CC)[C@@H](Nc2nccc(C)c2-c2nn[n-]n2)C[C@@H]1OC ZINC000825170833 609578103 /nfs/dbraw/zinc/57/81/03/609578103.db2.gz JATXEEMGPQXZCF-RYUDHWBXSA-N -1 3 316.409 2.576 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825194400 609584301 /nfs/dbraw/zinc/58/43/01/609584301.db2.gz QOAWTQGKLJFXJB-PSASIEDQSA-N -1 3 306.801 2.991 20 0 DFADHM CC[C@@H]1CC[C@@H](C)N1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825194400 609584304 /nfs/dbraw/zinc/58/43/04/609584304.db2.gz QOAWTQGKLJFXJB-PSASIEDQSA-N -1 3 306.801 2.991 20 0 DFADHM Cc1ccsc1CCNc1nccc(C)c1-c1nnn[n-]1 ZINC000826316731 609585467 /nfs/dbraw/zinc/58/54/67/609585467.db2.gz XFDAQZFVDNNYQL-UHFFFAOYSA-N -1 3 300.391 2.595 20 0 DFADHM Cc1ccsc1CCNc1nccc(C)c1-c1nn[n-]n1 ZINC000826316731 609585469 /nfs/dbraw/zinc/58/54/69/609585469.db2.gz XFDAQZFVDNNYQL-UHFFFAOYSA-N -1 3 300.391 2.595 20 0 DFADHM COCC[C@@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826154202 609589687 /nfs/dbraw/zinc/58/96/87/609589687.db2.gz KJIDMZKIHKOCMO-AWEZNQCLSA-N -1 3 313.361 2.519 20 0 DFADHM 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COC(=O)C[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000281536724 398462746 /nfs/dbraw/zinc/46/27/46/398462746.db2.gz KGICJQTXUBWJBH-CQSZACIVSA-N -1 3 313.353 2.713 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)C(C2CCC2)C2CCC2)[n-]1 ZINC000586811827 398464247 /nfs/dbraw/zinc/46/42/47/398464247.db2.gz QKRBEJVZOWHTNO-UHFFFAOYSA-N -1 3 305.378 2.741 20 0 DFADHM CCOC(=O)c1nc(NC(=O)C(C2CCC2)C2CCC2)c[n-]1 ZINC000586811827 398464253 /nfs/dbraw/zinc/46/42/53/398464253.db2.gz QKRBEJVZOWHTNO-UHFFFAOYSA-N -1 3 305.378 2.741 20 0 DFADHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000028048762 398471282 /nfs/dbraw/zinc/47/12/82/398471282.db2.gz LGXXCMPBHYTHDS-SNVBAGLBSA-N -1 3 319.448 2.782 20 0 DFADHM O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1[O-] ZINC000028818030 398475999 /nfs/dbraw/zinc/47/59/99/398475999.db2.gz TWSSWFXXQMPFKA-UHFFFAOYSA-N -1 3 323.352 2.590 20 0 DFADHM CCOC[C@@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)C(C)C ZINC000459481335 299117469 /nfs/dbraw/zinc/11/74/69/299117469.db2.gz QBJQFXOYSMAMDP-MRXNPFEDSA-N -1 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O=C(NCc1ccc([O-])c(F)c1)NCC1(CCO)CCCCC1 ZINC000267818297 186366263 /nfs/dbraw/zinc/36/62/63/186366263.db2.gz QEEVWVXAHQYLQN-UHFFFAOYSA-N -1 3 324.396 2.663 20 0 DFADHM Cc1ccc(C(=O)NCc2ccc(OC(C)C)nc2)c([O-])c1 ZINC000044739463 398654015 /nfs/dbraw/zinc/65/40/15/398654015.db2.gz FSBAHFWBEZVQSC-UHFFFAOYSA-N -1 3 300.358 2.813 20 0 DFADHM COc1cc(C(=O)Nc2cnc(C(C)C)nc2)cc(OC)c1[O-] ZINC000280049899 215338596 /nfs/dbraw/zinc/33/85/96/215338596.db2.gz XSNMHPBUDUTQAT-UHFFFAOYSA-N -1 3 317.345 2.575 20 0 DFADHM O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1cc([O-])ccc1Cl ZINC000290928097 186626983 /nfs/dbraw/zinc/62/69/83/186626983.db2.gz ROHSRILGCRVJML-VIFPVBQESA-N -1 3 321.764 2.915 20 0 DFADHM COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cc(SC)ccc1[O-] ZINC000597529519 398656939 /nfs/dbraw/zinc/65/69/39/398656939.db2.gz MKKJPFFKLJYSPQ-MFKMUULPSA-N -1 3 323.414 2.528 20 0 DFADHM C[C@@H](NCc1cc([O-])ccc1Br)c1ccn(C)n1 ZINC000459749210 299181327 /nfs/dbraw/zinc/18/13/27/299181327.db2.gz KIBUGJBIDIFRLY-SECBINFHSA-N -1 3 310.195 2.739 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)n1 ZINC000280087666 215366548 /nfs/dbraw/zinc/36/65/48/215366548.db2.gz LEIHOBWFZPCDEK-YVEFUNNKSA-N -1 3 300.358 2.589 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)c2ccc(C)c3c2CCC3)[n-]1 ZINC000590746183 398664264 /nfs/dbraw/zinc/66/42/64/398664264.db2.gz NWINSDBCFUAQQX-UHFFFAOYSA-N -1 3 313.357 2.636 20 0 DFADHM CCOC(=O)c1nc(NC(=O)c2ccc(C)c3c2CCC3)c[n-]1 ZINC000590746183 398664267 /nfs/dbraw/zinc/66/42/67/398664267.db2.gz NWINSDBCFUAQQX-UHFFFAOYSA-N -1 3 313.357 2.636 20 0 DFADHM CC(C)COc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000172366436 198086482 /nfs/dbraw/zinc/08/64/82/198086482.db2.gz SBRZOVWBDWTVQF-OAHLLOKOSA-N -1 3 313.419 2.642 20 0 DFADHM Cc1cccc([C@H](C)OC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000172431435 198096286 /nfs/dbraw/zinc/09/62/86/198096286.db2.gz NPEXKCACNVEFIV-ZDUSSCGKSA-N -1 3 314.385 2.932 20 0 DFADHM CC(C)(CC(=O)Nc1nnc(-c2ccccn2)[n-]1)C(F)(F)F ZINC000280106978 215380916 /nfs/dbraw/zinc/38/09/16/215380916.db2.gz VFMHHHGMONDDTP-UHFFFAOYSA-N -1 3 313.283 2.784 20 0 DFADHM CC(C)(CC(=O)Nc1nc(-c2ccccn2)n[n-]1)C(F)(F)F ZINC000280106978 215380919 /nfs/dbraw/zinc/38/09/19/215380919.db2.gz VFMHHHGMONDDTP-UHFFFAOYSA-N -1 3 313.283 2.784 20 0 DFADHM CC(C)(CC(=O)Nc1n[n-]c(-c2ccccn2)n1)C(F)(F)F ZINC000280106978 215380922 /nfs/dbraw/zinc/38/09/22/215380922.db2.gz VFMHHHGMONDDTP-UHFFFAOYSA-N -1 3 313.283 2.784 20 0 DFADHM CCCn1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)nn1 ZINC000681088699 545594951 /nfs/dbraw/zinc/59/49/51/545594951.db2.gz ITXGQIZXMAXREA-NSHDSACASA-N -1 3 300.362 2.548 20 0 DFADHM O=C(c1ccccc1[O-])N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000121841908 282818552 /nfs/dbraw/zinc/81/85/52/282818552.db2.gz SKWKMTNUOIXTPI-CHWSQXEVSA-N -1 3 307.415 2.519 20 0 DFADHM Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1ccc([O-])cc1Cl ZINC000331737846 234064638 /nfs/dbraw/zinc/06/46/38/234064638.db2.gz VXWQWRSCLWJOOO-AWEZNQCLSA-N -1 3 319.792 2.515 20 0 DFADHM CC(C)(C)OCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000590793808 398676271 /nfs/dbraw/zinc/67/62/71/398676271.db2.gz IXULVWNRQVHUEY-UHFFFAOYSA-N -1 3 309.790 2.573 20 0 DFADHM Cc1nn2cccnc2c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000102469199 398678478 /nfs/dbraw/zinc/67/84/78/398678478.db2.gz AXBCVCGOXXRFTI-UHFFFAOYSA-N -1 3 302.721 2.649 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)o1 ZINC000331823095 234164190 /nfs/dbraw/zinc/16/41/90/234164190.db2.gz PTLAPLJBYPIKGQ-HWWQOWPSSA-N -1 3 321.398 2.820 20 0 DFADHM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1cccc([O-])c1 ZINC000593767160 398683763 /nfs/dbraw/zinc/68/37/63/398683763.db2.gz KJEPOGAKNSQTNA-BXUZGUMPSA-N -1 3 305.374 2.727 20 0 DFADHM CCC(CC)(CC)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000173388482 198208980 /nfs/dbraw/zinc/20/89/80/198208980.db2.gz ZDHQFLZOPHZHKX-UHFFFAOYSA-N -1 3 307.847 2.629 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCS2)c(Cl)cc1F ZINC000124248129 282863082 /nfs/dbraw/zinc/86/30/82/282863082.db2.gz FSKUDYIZWLBXLY-SECBINFHSA-N -1 3 323.842 2.961 20 0 DFADHM CS[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000593783050 398686458 /nfs/dbraw/zinc/68/64/58/398686458.db2.gz UBLNRWGUMSHIGP-CZUORRHYSA-N -1 3 316.426 2.932 20 0 DFADHM CS[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000593783818 398686775 /nfs/dbraw/zinc/68/67/75/398686775.db2.gz ISGZCFBAWFYWFB-ZYHUDNBSSA-N -1 3 308.382 2.501 20 0 DFADHM CS[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000593783818 398686778 /nfs/dbraw/zinc/68/67/78/398686778.db2.gz ISGZCFBAWFYWFB-ZYHUDNBSSA-N -1 3 308.382 2.501 20 0 DFADHM CS[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000593783818 398686782 /nfs/dbraw/zinc/68/67/82/398686782.db2.gz ISGZCFBAWFYWFB-ZYHUDNBSSA-N -1 3 308.382 2.501 20 0 DFADHM CCC[C@]1(C)CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000173661257 198237651 /nfs/dbraw/zinc/23/76/51/198237651.db2.gz UKDFAOAPVPTAPW-GOSISDBHSA-N -1 3 314.385 2.613 20 0 DFADHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000403313670 398690127 /nfs/dbraw/zinc/69/01/27/398690127.db2.gz BPLIQZFMCYTTOT-SDDRHHMPSA-N -1 3 310.806 2.679 20 0 DFADHM O=C([O-])[C@H]1CC12CCN(Cc1ccccc1OC(F)F)CC2 ZINC000405486900 398694825 /nfs/dbraw/zinc/69/48/25/398694825.db2.gz MGUMNVIFPWICFP-GFCCVEGCSA-N -1 3 311.328 2.975 20 0 DFADHM CC(C)C(=O)Nc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000125648109 282885604 /nfs/dbraw/zinc/88/56/04/282885604.db2.gz HQIRSMYJJOQCAJ-UHFFFAOYSA-N -1 3 314.341 2.945 20 0 DFADHM COc1c(C)cc(CN(C)C(=O)c2c([O-])cccc2O)cc1C ZINC000125761570 282888687 /nfs/dbraw/zinc/88/86/87/282888687.db2.gz MMYMTVZAXDJOON-UHFFFAOYSA-N -1 3 315.369 2.995 20 0 DFADHM CCOC(=O)c1ncc(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)[n-]1 ZINC000590910773 398699876 /nfs/dbraw/zinc/69/98/76/398699876.db2.gz FBFIFCPWJGFSQM-QFYYESIMSA-N -1 3 307.394 2.987 20 0 DFADHM CCOC(=O)c1nc(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)c[n-]1 ZINC000590910773 398699880 /nfs/dbraw/zinc/69/98/80/398699880.db2.gz FBFIFCPWJGFSQM-QFYYESIMSA-N -1 3 307.394 2.987 20 0 DFADHM COC(=O)C1CCC(C(=O)Nc2ccc([O-])cc2Cl)CC1 ZINC000597858056 398705497 /nfs/dbraw/zinc/70/54/97/398705497.db2.gz PPMUUGSYDPJWAQ-UHFFFAOYSA-N -1 3 311.765 2.964 20 0 DFADHM COc1cccc(C(=O)Nc2cnc(C(C)(C)C)nc2)c1[O-] ZINC000126428785 282910196 /nfs/dbraw/zinc/91/01/96/282910196.db2.gz JKPYDJCZCXLBIF-UHFFFAOYSA-N -1 3 301.346 2.741 20 0 DFADHM CCO[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000590960649 398708471 /nfs/dbraw/zinc/70/84/71/398708471.db2.gz VLBJMXZARRJCOJ-CYBMUJFWSA-N -1 3 319.401 2.747 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C ZINC000003581207 181037097 /nfs/dbraw/zinc/03/70/97/181037097.db2.gz ZYCDUPLMWMMYIG-UHFFFAOYSA-N -1 3 305.355 2.833 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H](C)CCc1ccccc1F ZINC000594018935 398723295 /nfs/dbraw/zinc/72/32/95/398723295.db2.gz ZPPIVBGHKPJZAB-JTQLQIEISA-N -1 3 319.336 2.543 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H](C)CCc1ccccc1F ZINC000594018935 398723297 /nfs/dbraw/zinc/72/32/97/398723297.db2.gz ZPPIVBGHKPJZAB-JTQLQIEISA-N -1 3 319.336 2.543 20 0 DFADHM CC(=O)N[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000129428809 283014817 /nfs/dbraw/zinc/01/48/17/283014817.db2.gz PMNVMHDMDLDDHC-CQSZACIVSA-N -1 3 316.332 2.737 20 0 DFADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2=CCCC2)cc1OC ZINC000129444135 283015363 /nfs/dbraw/zinc/01/53/63/283015363.db2.gz IQPCWDDBGNSQSS-UHFFFAOYSA-N -1 3 324.402 2.506 20 0 DFADHM Cc1cccc(-n2cc(C(=O)Nc3cccc([O-])c3F)nn2)c1 ZINC000129540184 283019732 /nfs/dbraw/zinc/01/97/32/283019732.db2.gz COPBUFDFLVNTGY-UHFFFAOYSA-N -1 3 312.304 2.673 20 0 DFADHM Cc1ccc(NC(=O)COCCOc2ccccc2)c([O-])c1 ZINC000046904080 398725662 /nfs/dbraw/zinc/72/56/62/398725662.db2.gz MDTQNCDNQGATFE-UHFFFAOYSA-N -1 3 301.342 2.735 20 0 DFADHM COc1cccc(C(=O)N2CCc3c(F)cccc3C2)c1[O-] ZINC000129737757 283027187 /nfs/dbraw/zinc/02/71/87/283027187.db2.gz IFFXSOISZLVPRD-UHFFFAOYSA-N -1 3 301.317 2.738 20 0 DFADHM COCCOc1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129717464 283026391 /nfs/dbraw/zinc/02/63/91/283026391.db2.gz NIXZGMABACQMAY-UHFFFAOYSA-N -1 3 305.305 2.809 20 0 DFADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc(OC)c1 ZINC000277000879 213232198 /nfs/dbraw/zinc/23/21/98/213232198.db2.gz LGSDHQHBSHSRHZ-QGZVFWFLSA-N -1 3 315.369 2.928 20 0 DFADHM O=C(Nc1cn[nH]c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000130408958 283048544 /nfs/dbraw/zinc/04/85/44/283048544.db2.gz VUCTXNJBIZETTH-UHFFFAOYSA-N -1 3 309.325 2.947 20 0 DFADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1 ZINC000130797733 283061319 /nfs/dbraw/zinc/06/13/19/283061319.db2.gz FNSYVOCALZVZIU-UHFFFAOYSA-N -1 3 316.386 2.882 20 0 DFADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1 ZINC000130797733 283061323 /nfs/dbraw/zinc/06/13/23/283061323.db2.gz FNSYVOCALZVZIU-UHFFFAOYSA-N -1 3 316.386 2.882 20 0 DFADHM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000332515269 235051490 /nfs/dbraw/zinc/05/14/90/235051490.db2.gz MBIXWTYAMKIOMW-TZMCWYRMSA-N -1 3 303.402 2.504 20 0 DFADHM CSCC1(CCNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000597977379 398731595 /nfs/dbraw/zinc/73/15/95/398731595.db2.gz AKCZOADTUQUWNO-UHFFFAOYSA-N -1 3 316.426 2.791 20 0 DFADHM Cc1cc(C)c(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)[nH]1 ZINC000131038079 283069511 /nfs/dbraw/zinc/06/95/11/283069511.db2.gz MNTLCYPUWAEMCT-UHFFFAOYSA-N -1 3 321.402 2.564 20 0 DFADHM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000332605978 235185545 /nfs/dbraw/zinc/18/55/45/235185545.db2.gz SKSFIDGLIWUCEL-WPRPVWTQSA-N -1 3 312.295 2.761 20 0 DFADHM CC(C)C[C@@H]1CCCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000361701085 535282643 /nfs/dbraw/zinc/28/26/43/535282643.db2.gz GPSMFRYLYLXFJY-VIFPVBQESA-N -1 3 319.331 2.544 20 0 DFADHM CC(C)C[C@@H]1CCCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000361701085 535282648 /nfs/dbraw/zinc/28/26/48/535282648.db2.gz GPSMFRYLYLXFJY-VIFPVBQESA-N -1 3 319.331 2.544 20 0 DFADHM CC(C)C[C@@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361701085 535282655 /nfs/dbraw/zinc/28/26/55/535282655.db2.gz GPSMFRYLYLXFJY-VIFPVBQESA-N -1 3 319.331 2.544 20 0 DFADHM O=S(=O)(Cc1ccccc1Cl)[N-][C@H]1COc2ccccc21 ZINC000074913323 191385874 /nfs/dbraw/zinc/38/58/74/191385874.db2.gz JLJZTRJBAONVNZ-AWEZNQCLSA-N -1 3 323.801 2.893 20 0 DFADHM O=C(Cc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000074803969 191363440 /nfs/dbraw/zinc/36/34/40/191363440.db2.gz SCWSDHWOUXFMJR-UHFFFAOYSA-N -1 3 313.748 2.701 20 0 DFADHM O=C(Cc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000074803969 191363443 /nfs/dbraw/zinc/36/34/43/191363443.db2.gz SCWSDHWOUXFMJR-UHFFFAOYSA-N -1 3 313.748 2.701 20 0 DFADHM Cc1cccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000074803959 191363932 /nfs/dbraw/zinc/36/39/32/191363932.db2.gz AMSISEJXFPTMSJ-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM Cc1cccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000074803959 191363935 /nfs/dbraw/zinc/36/39/35/191363935.db2.gz AMSISEJXFPTMSJ-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM CCOc1nc2cc(C(=O)N3C[C@@H](CC)O[C@@H](C)C3)ccc2[n-]1 ZINC000332623890 235212325 /nfs/dbraw/zinc/21/23/25/235212325.db2.gz NCXRDJPPIHIPMH-WCQYABFASA-N -1 3 317.389 2.601 20 0 DFADHM 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CCc1ccc(-c2ccc(CNC[C@H](OC)C(=O)[O-])o2)cc1 ZINC000417634774 296037076 /nfs/dbraw/zinc/03/70/76/296037076.db2.gz VUMXVHIRRUCCQT-INIZCTEOSA-N -1 3 303.358 2.698 20 0 DFADHM CO[C@@H](CNCc1ccc(-c2ccccc2F)s1)C(=O)[O-] ZINC000417633405 296037085 /nfs/dbraw/zinc/03/70/85/296037085.db2.gz UFQJUORENNFCED-ZDUSSCGKSA-N -1 3 309.362 2.743 20 0 DFADHM [O-]C(=NOC1CCCC1)Nc1nnc(CC(F)(F)F)s1 ZINC000271875284 209287151 /nfs/dbraw/zinc/28/71/51/209287151.db2.gz XLCDWMDVDRDKLN-UHFFFAOYSA-N -1 3 310.301 2.639 20 0 DFADHM O=C([N-]OC1CCCC1)Nc1nnc(CC(F)(F)F)s1 ZINC000271875284 209287152 /nfs/dbraw/zinc/28/71/52/209287152.db2.gz XLCDWMDVDRDKLN-UHFFFAOYSA-N -1 3 310.301 2.639 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCOC2(CCC2)C1 ZINC000193722864 201111215 /nfs/dbraw/zinc/11/12/15/201111215.db2.gz PEIZLPLCLPOQLO-UHFFFAOYSA-N -1 3 315.291 2.806 20 0 DFADHM O=C(N[C@H]1CCC[C@H]1CCO)c1cc([O-])ccc1C(F)(F)F ZINC000281475944 216326347 /nfs/dbraw/zinc/32/63/47/216326347.db2.gz DTEGIEJKRUDLRJ-ZANVPECISA-N -1 3 317.307 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305.548 2.957 20 0 DFADHM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1csc(=O)[n-]1 ZINC000375068032 150395996 /nfs/dbraw/zinc/39/59/96/150395996.db2.gz HORUETLUVSHECT-ZDUSSCGKSA-N -1 3 318.398 2.841 20 0 DFADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1ccsc1 ZINC000426742154 296638850 /nfs/dbraw/zinc/63/88/50/296638850.db2.gz OMUVRHPWOYCGBL-HNNXBMFYSA-N -1 3 316.426 2.744 20 0 DFADHM CC(=O)Nc1ccc(CN[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000426786102 296640080 /nfs/dbraw/zinc/64/00/80/296640080.db2.gz SQJIECRDVWTXCF-QGZVFWFLSA-N -1 3 312.369 2.951 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC(F)(c2cccnc2)CC1 ZINC000375893780 150490139 /nfs/dbraw/zinc/49/01/39/150490139.db2.gz AHSWGNPRHQQOTM-UHFFFAOYSA-N -1 3 300.333 2.888 20 0 DFADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1csc2ccccc12 ZINC000351689270 286194071 /nfs/dbraw/zinc/19/40/71/286194071.db2.gz ZAIKXMXDKHMLIK-UHFFFAOYSA-N -1 3 322.411 2.985 20 0 DFADHM COc1cc(C(=O)N2CCOC3(C2)CCCCCC3)ccc1[O-] ZINC000276966072 286195594 /nfs/dbraw/zinc/19/55/94/286195594.db2.gz 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/nfs/dbraw/zinc/21/53/86/286215386.db2.gz KFYINRCUYXNXQI-UHFFFAOYSA-N -1 3 310.712 2.906 20 0 DFADHM O=C(N[C@H]1CCOc2ccccc21)c1c[n-]nc1-c1ccccn1 ZINC000351790577 286219049 /nfs/dbraw/zinc/21/90/49/286219049.db2.gz JGQBGZMRNVFVLX-AWEZNQCLSA-N -1 3 320.352 2.725 20 0 DFADHM Cc1ccccc1CCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000351797252 286220716 /nfs/dbraw/zinc/22/07/16/286220716.db2.gz CQCIBMCZKHABHM-UHFFFAOYSA-N -1 3 306.369 2.753 20 0 DFADHM O=C(Nc1ncccc1[O-])[C@H]1CCN(c2ccccc2Cl)C1 ZINC000351801100 286221495 /nfs/dbraw/zinc/22/14/95/286221495.db2.gz BRFXTHBSZKBBAA-NSHDSACASA-N -1 3 317.776 2.906 20 0 DFADHM [O-]c1ccc(F)c(CNc2cccc(-n3ccnn3)c2)c1F ZINC000351844209 286230819 /nfs/dbraw/zinc/23/08/19/286230819.db2.gz KFLXBMRHUWRERF-UHFFFAOYSA-N -1 3 302.284 2.863 20 0 DFADHM C[C@H](O[N-]C(=O)/C=C\c1ccc(C(N)=O)cc1)c1ccccc1 ZINC000493230355 299740102 /nfs/dbraw/zinc/74/01/02/299740102.db2.gz WPJJHJGUFQPQNY-SUIFULHWSA-N -1 3 310.353 2.608 20 0 DFADHM CC(C)c1nc([C@H]2COCCN2Cc2cc([O-])cc(F)c2)no1 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COc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000175486379 286279105 /nfs/dbraw/zinc/27/91/05/286279105.db2.gz RZCQLLIPICCGSO-UKRRQHHQSA-N -1 3 307.415 2.901 20 0 DFADHM Cc1csc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000451391370 297800130 /nfs/dbraw/zinc/80/01/30/297800130.db2.gz FTLUUMPJZILSTL-NWDGAFQWSA-N -1 3 303.449 2.540 20 0 DFADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(O)c1 ZINC000427701856 296665124 /nfs/dbraw/zinc/66/51/24/296665124.db2.gz OCJDJHFZUPRWOY-LLVKDONJSA-N -1 3 308.337 2.725 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)C[C@@H](C)c2ccccc2)o1 ZINC000352084039 286288125 /nfs/dbraw/zinc/28/81/25/286288125.db2.gz RYJHKPSIQCRBLG-DGCLKSJQSA-N -1 3 308.403 2.767 20 0 DFADHM O=C(c1csc(=O)[n-]1)N(Cc1c(F)cccc1F)C1CC1 ZINC000352086291 286288609 /nfs/dbraw/zinc/28/86/09/286288609.db2.gz NTUJUPWNQVONQJ-UHFFFAOYSA-N -1 3 310.325 2.932 20 0 DFADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)sc2C)o1 ZINC000352089537 286289355 /nfs/dbraw/zinc/28/93/55/286289355.db2.gz NGOKNCPDNYLDPZ-SECBINFHSA-N -1 3 300.405 2.701 20 0 DFADHM COC[C@@H]([N-]S(=O)(=O)c1ccsc1)c1ccc(F)cc1 ZINC000352117997 286296805 /nfs/dbraw/zinc/29/68/05/286296805.db2.gz OKQPTCPGHCGCHL-CYBMUJFWSA-N -1 3 315.391 2.553 20 0 DFADHM CCc1cnc(C[N-]S(=O)(=O)c2csc3ccccc23)o1 ZINC000352148475 286304684 /nfs/dbraw/zinc/30/46/84/286304684.db2.gz DPFXZGANXATVPL-UHFFFAOYSA-N -1 3 322.411 2.930 20 0 DFADHM CCOc1ccc(CNC(=O)c2c[n-]nc2-c2ccccn2)cc1 ZINC000352201294 286317496 /nfs/dbraw/zinc/31/74/96/286317496.db2.gz QXDGPOYYIWEMLR-UHFFFAOYSA-N -1 3 322.368 2.800 20 0 DFADHM COc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)ccc1[O-] ZINC000352225082 286322510 /nfs/dbraw/zinc/32/25/10/286322510.db2.gz CJWDAGYHNTVWQG-WPRPVWTQSA-N -1 3 303.280 2.814 20 0 DFADHM COCCC[C@H](Cc1ccccc1)NC(=O)c1csc(=O)[n-]1 ZINC000352359341 286352783 /nfs/dbraw/zinc/35/27/83/286352783.db2.gz GHXSTZVPNRYCHT-CYBMUJFWSA-N -1 3 320.414 2.616 20 0 DFADHM Cc1cccc(CSCC(=O)NCc2ncccc2[O-])c1 ZINC000352500709 286389840 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286395707 /nfs/dbraw/zinc/39/57/07/286395707.db2.gz YDAPXJLXQKZDMC-INIZCTEOSA-N -1 3 302.349 2.982 20 0 DFADHM O=C(CCOc1ccc(F)cc1Cl)NCc1ncccc1[O-] ZINC000352518491 286395718 /nfs/dbraw/zinc/39/57/18/286395718.db2.gz XKSPJFZIKQKOLO-UHFFFAOYSA-N -1 3 324.739 2.665 20 0 DFADHM Cc1c(C(=O)NCc2ncccc2[O-])cnn1-c1cccc(C)c1 ZINC000352507654 286392403 /nfs/dbraw/zinc/39/24/03/286392403.db2.gz KUNBPDDGOICPSA-UHFFFAOYSA-N -1 3 322.368 2.520 20 0 DFADHM CC[C@H](C)c1ccccc1OCC(=O)NCc1ncccc1[O-] ZINC000352508454 286392661 /nfs/dbraw/zinc/39/26/61/286392661.db2.gz MQYMQGRALMHQJO-ZDUSSCGKSA-N -1 3 314.385 2.996 20 0 DFADHM COC(=O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1N ZINC000352640663 286427789 /nfs/dbraw/zinc/42/77/89/286427789.db2.gz ROMFVIHBRUQZCG-UHFFFAOYSA-N -1 3 320.732 2.667 20 0 DFADHM CC[C@@H](CNC(=O)/C=C/c1cncc([O-])c1)CC(F)(F)F ZINC000493377669 299768353 /nfs/dbraw/zinc/76/83/53/299768353.db2.gz BWLMPFBEENTXTP-HMDXOVGESA-N -1 3 302.296 2.895 20 0 DFADHM CC[C@H](CNC(=O)/C=C\c1cncc([O-])c1)CC(F)(F)F ZINC000493377673 299768663 /nfs/dbraw/zinc/76/86/63/299768663.db2.gz BWLMPFBEENTXTP-XOULXFPDSA-N -1 3 302.296 2.895 20 0 DFADHM [O-]c1ccc(F)c(CN2CCN3CCOc4cccc2c43)c1F ZINC000352858085 286486376 /nfs/dbraw/zinc/48/63/76/286486376.db2.gz CHKYCWNZLZNGDP-UHFFFAOYSA-N -1 3 318.323 2.889 20 0 DFADHM O=C(N[C@H]1CCC[C@@H]1OC(F)F)c1cc([O-])ccc1Cl ZINC000353102312 286551604 /nfs/dbraw/zinc/55/16/04/286551604.db2.gz OLUMPFDWDHKRGZ-QWRGUYRKSA-N -1 3 305.708 2.936 20 0 DFADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(Cl)ccc2F)o1 ZINC000353345074 286618697 /nfs/dbraw/zinc/61/86/97/286618697.db2.gz IBCMNQGENGGBMT-UHFFFAOYSA-N -1 3 317.725 2.728 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000182838497 158008300 /nfs/dbraw/zinc/00/83/00/158008300.db2.gz HQAXSWOOTPSNKC-CQSZACIVSA-N -1 3 312.369 2.815 20 0 DFADHM CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc([O-])cc1F ZINC000183252561 158013773 /nfs/dbraw/zinc/01/37/73/158013773.db2.gz SRQDVJHFTHKGQF-AWEZNQCLSA-N -1 3 320.320 2.517 20 0 DFADHM O=C(COCCOc1ccccc1)Nc1ccc([O-])cc1F ZINC000183268158 158013957 /nfs/dbraw/zinc/01/39/57/158013957.db2.gz RTWAMUPUKRLKLX-UHFFFAOYSA-N -1 3 305.305 2.565 20 0 DFADHM CC(C)(C)c1noc(CCC(=O)Nc2ccc([O-])cc2F)n1 ZINC000183276684 158015522 /nfs/dbraw/zinc/01/55/22/158015522.db2.gz GQTPHKNUEPGPGI-UHFFFAOYSA-N -1 3 307.325 2.783 20 0 DFADHM O=S(=O)(Cc1cc(-c2ccco2)on1)c1cccc([O-])c1 ZINC000183993766 158026198 /nfs/dbraw/zinc/02/61/98/158026198.db2.gz HBHOITQRMZZHJD-UHFFFAOYSA-N -1 3 305.311 2.614 20 0 DFADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)[S@](=O)c1cccc([O-])c1 ZINC000184047124 158027353 /nfs/dbraw/zinc/02/73/53/158027353.db2.gz LWIKLLDHLWMTIX-XFNZEKPQSA-N -1 3 321.373 2.975 20 0 DFADHM Cc1ccc2nc(C)c(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)cc2c1 ZINC000440388717 297151449 /nfs/dbraw/zinc/15/14/49/297151449.db2.gz SYSGZTSJXKHRAI-UHFFFAOYSA-N -1 3 324.340 2.614 20 0 DFADHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000185263904 158050948 /nfs/dbraw/zinc/05/09/48/158050948.db2.gz QTHRFPPBNSKAER-KXMPLOMGSA-N 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O=C(c1cccc([O-])c1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000272856249 268252705 /nfs/dbraw/zinc/25/27/05/268252705.db2.gz UDPJCXXSPSYMOH-SFHVURJKSA-N -1 3 311.381 2.978 20 0 DFADHM COc1cc(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)ccc1[O-] ZINC000276033317 268260544 /nfs/dbraw/zinc/26/05/44/268260544.db2.gz UQULSSPKPCWGEO-KBPBESRZSA-N -1 3 307.390 2.724 20 0 DFADHM O=S(=O)([N-]C[C@@H]1CCCOC1)c1cccc(Cl)c1Cl ZINC000048673616 425876817 /nfs/dbraw/zinc/87/68/17/425876817.db2.gz GNPHFNCYKZIRDP-VIFPVBQESA-N -1 3 324.229 2.698 20 0 DFADHM Cc1ccc(C(=O)Nc2ncc(C(C)(C)O)s2)c([O-])c1C ZINC000290658938 268282016 /nfs/dbraw/zinc/28/20/16/268282016.db2.gz XMWCOMDRPPQCAD-UHFFFAOYSA-N -1 3 306.387 2.945 20 0 DFADHM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)NC2CC2)c1 ZINC000295691117 268296775 /nfs/dbraw/zinc/29/67/75/268296775.db2.gz LSAVRCCODWPOFU-QMMMGPOBSA-N -1 3 313.195 2.542 20 0 DFADHM CCC[C@H](OC)c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000296379066 268304553 /nfs/dbraw/zinc/30/45/53/268304553.db2.gz JCWDDVDTRDTXIT-JTQLQIEISA-N -1 3 308.334 2.947 20 0 DFADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1[O-] ZINC000302166888 268323782 /nfs/dbraw/zinc/32/37/82/268323782.db2.gz AMCDBKPUFQVFGI-LBPRGKRZSA-N -1 3 313.353 2.963 20 0 DFADHM O=C(N[C@@H](CCO)c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000305137342 268329865 /nfs/dbraw/zinc/32/98/65/268329865.db2.gz UMEUYKJUIVXQHI-INIZCTEOSA-N -1 3 322.364 2.794 20 0 DFADHM Cc1nn(C)c(Cl)c1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000048817920 425877526 /nfs/dbraw/zinc/87/75/26/425877526.db2.gz OVGKBMMGCDYJHG-UHFFFAOYSA-N -1 3 313.814 2.684 20 0 DFADHM COc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1OC ZINC000314010076 268340809 /nfs/dbraw/zinc/34/08/09/268340809.db2.gz GCVHHOAXVHIONR-UHFFFAOYSA-N -1 3 303.314 2.670 20 0 DFADHM CC(C)[C@@H](CCO)NCc1cccc([O-])c1Br ZINC000315115882 268342503 /nfs/dbraw/zinc/34/25/03/268342503.db2.gz ZDCCODHJBFUFMQ-LLVKDONJSA-N -1 3 302.212 2.651 20 0 DFADHM [O-]c1cccc(CNC2CCC(O)CC2)c1Br ZINC000315253667 268342579 /nfs/dbraw/zinc/34/25/79/268342579.db2.gz WUACZQMSHSZWFA-UHFFFAOYSA-N -1 3 300.196 2.548 20 0 DFADHM C[C@@H]1C[C@@H](NCc2cccc([O-])c2Br)CCO1 ZINC000315588973 268342848 /nfs/dbraw/zinc/34/28/48/268342848.db2.gz PLSXNYAOAQTCFW-KOLCDFICSA-N -1 3 300.196 2.812 20 0 DFADHM Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([O-])c1 ZINC000316544618 268344585 /nfs/dbraw/zinc/34/45/85/268344585.db2.gz RBIXUNUMQXRXAO-IMJJTQAJSA-N -1 3 303.402 2.856 20 0 DFADHM CCOc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1CO ZINC000321680248 268348923 /nfs/dbraw/zinc/34/89/23/268348923.db2.gz WIOVQYLACLDDII-UHFFFAOYSA-N -1 3 317.341 2.544 20 0 DFADHM Cc1nnc([N-]C(=O)c2cnc(OC(C)C)c(Cl)c2)s1 ZINC000048941893 425877968 /nfs/dbraw/zinc/87/79/68/425877968.db2.gz GLDJKWWGTPSURX-UHFFFAOYSA-N -1 3 312.782 2.934 20 0 DFADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(Cl)c1N(C)C ZINC000331264877 268355573 /nfs/dbraw/zinc/35/55/73/268355573.db2.gz OZHZVKMVQOQOCW-UHFFFAOYSA-N -1 3 320.842 2.573 20 0 DFADHM CC[C@H](C[C@@H](C)CO)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000332700826 268362290 /nfs/dbraw/zinc/36/22/90/268362290.db2.gz JBUBDEZBKFTTCA-TZMCWYRMSA-N -1 3 305.418 2.798 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000333119358 268375989 /nfs/dbraw/zinc/37/59/89/268375989.db2.gz ZNVLULHRVKFFAA-WBVHZDCISA-N -1 3 319.401 2.536 20 0 DFADHM CC(C)c1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCO2)c([O-])c1 ZINC000333119355 268376023 /nfs/dbraw/zinc/37/60/23/268376023.db2.gz ZNVLULHRVKFFAA-DOTOQJQBSA-N -1 3 319.401 2.536 20 0 DFADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC3CCCCC3)cn21 ZINC000333178446 268380149 /nfs/dbraw/zinc/38/01/49/268380149.db2.gz PFIZUTDVEAUGQW-GFCCVEGCSA-N -1 3 311.451 2.639 20 0 DFADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC3=CCCCC3)cn21 ZINC000333230003 268384510 /nfs/dbraw/zinc/38/45/10/268384510.db2.gz YAHPTEBCQMRCLM-GFCCVEGCSA-N -1 3 309.435 2.559 20 0 DFADHM CC(C)(C)OC(=O)NCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000049400411 425879195 /nfs/dbraw/zinc/87/91/95/425879195.db2.gz GBWVTWUPUYWSOI-UHFFFAOYSA-N -1 3 300.742 2.509 20 0 DFADHM CCc1cnc(S(=O)(=O)Cc2cc(Cl)ccc2OC)[n-]1 ZINC000125766936 425989277 /nfs/dbraw/zinc/98/92/77/425989277.db2.gz CJBUGKBVRQQGIK-UHFFFAOYSA-N -1 3 314.794 2.608 20 0 DFADHM CCc1c[n-]c(S(=O)(=O)Cc2cc(Cl)ccc2OC)n1 ZINC000125766936 425989278 /nfs/dbraw/zinc/98/92/78/425989278.db2.gz CJBUGKBVRQQGIK-UHFFFAOYSA-N -1 3 314.794 2.608 20 0 DFADHM CCc1cccc(C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000124818577 425939764 /nfs/dbraw/zinc/93/97/64/425939764.db2.gz UJASKCCRAHZOGP-XJKSGUPXSA-N -1 3 313.401 2.874 20 0 DFADHM COCCC1(C[N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000124927271 425945798 /nfs/dbraw/zinc/94/57/98/425945798.db2.gz OUCZWPIAMULWEL-UHFFFAOYSA-N -1 3 303.449 2.623 20 0 DFADHM Cc1ccccc1CCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000103431750 425946161 /nfs/dbraw/zinc/94/61/61/425946161.db2.gz OJWKAEXPCZZTSI-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM Cc1ccccc1CCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000103431750 425946165 /nfs/dbraw/zinc/94/61/65/425946165.db2.gz OJWKAEXPCZZTSI-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM Cc1ccccc1CCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000103431750 425946166 /nfs/dbraw/zinc/94/61/66/425946166.db2.gz OJWKAEXPCZZTSI-UHFFFAOYSA-N -1 3 307.357 2.746 20 0 DFADHM CC(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000125154067 425955984 /nfs/dbraw/zinc/95/59/84/425955984.db2.gz IFDZLFQRIQVXPM-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CC(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000125154067 425955985 /nfs/dbraw/zinc/95/59/85/425955985.db2.gz IFDZLFQRIQVXPM-UHFFFAOYSA-N -1 3 308.345 2.637 20 0 DFADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(C)nc(=O)[n-]2)s1 ZINC000125372137 425968867 /nfs/dbraw/zinc/96/88/67/425968867.db2.gz CUSCUOBEQMWFCJ-JTQLQIEISA-N -1 3 320.418 2.651 20 0 DFADHM COC(=O)CC[C@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000105989364 425970527 /nfs/dbraw/zinc/97/05/27/425970527.db2.gz YEZGXUFKQKJKGN-HNNXBMFYSA-N -1 3 313.353 2.817 20 0 DFADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc3n[n-]nc3c2)s1 ZINC000106837832 425975698 /nfs/dbraw/zinc/97/56/98/425975698.db2.gz ZQIZWEBZTVZDQY-SECBINFHSA-N -1 3 315.402 2.864 20 0 DFADHM COc1cc(C)cc(C(=O)N2CCn3c4ccccc4nc32)c1[O-] ZINC000106904162 425980147 /nfs/dbraw/zinc/98/01/47/425980147.db2.gz KDUCIMOQULVDHO-UHFFFAOYSA-N -1 3 323.352 2.719 20 0 DFADHM O=C(Nc1ccccc1OCC(F)F)c1ccc2n[n-]nc2c1 ZINC000161622645 426031958 /nfs/dbraw/zinc/03/19/58/426031958.db2.gz XXIYIKSUERTOPW-UHFFFAOYSA-N -1 3 318.283 2.854 20 0 DFADHM Cc1cc([N-]C(=O)Cn2c3ccccc3nc2C(F)(F)F)on1 ZINC000074005969 426037857 /nfs/dbraw/zinc/03/78/57/426037857.db2.gz IGCWDBKBUNNQOP-UHFFFAOYSA-N -1 3 324.262 2.990 20 0 DFADHM C[C@H]1CN(Cc2cc([O-])ccc2Br)C[C@H](C)O1 ZINC000126939148 426042989 /nfs/dbraw/zinc/04/29/89/426042989.db2.gz RZHCBEVYKDCMGS-UWVGGRQHSA-N -1 3 300.196 2.764 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CS(=O)(=O)C(C)(C)C)c1[O-] ZINC000162031949 426049583 /nfs/dbraw/zinc/04/95/83/426049583.db2.gz AYFDTBHDACBPGY-UHFFFAOYSA-N -1 3 319.810 2.506 20 0 DFADHM CCCc1nnc([N-]C(=O)c2c(CC)nn(C)c2Cl)s1 ZINC000162120649 426053430 /nfs/dbraw/zinc/05/34/30/426053430.db2.gz PLXNYFIBBPHGMO-UHFFFAOYSA-N -1 3 313.814 2.692 20 0 DFADHM CCn1cc(C(=O)C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cn1 ZINC000337665889 268527864 /nfs/dbraw/zinc/52/78/64/268527864.db2.gz ULBANBQHWFAMLB-UHFFFAOYSA-N -1 3 315.373 2.728 20 0 DFADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000162460947 426064963 /nfs/dbraw/zinc/06/49/63/426064963.db2.gz OAZTVQSOWXMPBP-HWPZZCPQSA-N -1 3 301.346 2.724 20 0 DFADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000162460947 426064966 /nfs/dbraw/zinc/06/49/66/426064966.db2.gz OAZTVQSOWXMPBP-HWPZZCPQSA-N -1 3 301.346 2.724 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](C)C(=O)Nc2ccccc2)c([O-])c1C ZINC000112115853 426065992 /nfs/dbraw/zinc/06/59/92/426065992.db2.gz WSYWVXFIMOCRTD-ZDUSSCGKSA-N -1 3 312.369 2.766 20 0 DFADHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc2n1CCCC2 ZINC000162470114 426066418 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Cc1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000127464464 426068566 /nfs/dbraw/zinc/06/85/66/426068566.db2.gz IJWZUFPRHYIXIY-GFCCVEGCSA-N -1 3 323.356 2.581 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(C3CC3)CCC2)c1 ZINC000162634210 426070668 /nfs/dbraw/zinc/07/06/68/426070668.db2.gz VWRBCRJDLBYHMT-UHFFFAOYSA-N -1 3 302.374 2.661 20 0 DFADHM CCOc1ccc(OCC[S@](=O)c2ccc([O-])cc2)cc1 ZINC000108083522 426009286 /nfs/dbraw/zinc/00/92/86/426009286.db2.gz WCXZBLRISQPGHG-OAQYLSRUSA-N -1 3 306.383 2.978 20 0 DFADHM O=[S@](Cc1nc(-c2ccc(F)cc2)no1)c1ccc([O-])cc1 ZINC000108084749 426009967 /nfs/dbraw/zinc/00/99/67/426009967.db2.gz LJWFLMFAYZWRQX-QFIPXVFZSA-N -1 3 318.329 2.889 20 0 DFADHM Cc1cccc(NC(=O)[C@@H](C)[S@](=O)c2ccc([O-])cc2)c1 ZINC000108085953 426010045 /nfs/dbraw/zinc/01/00/45/426010045.db2.gz WGAUGZCRQYNMBZ-XUSGNXJCSA-N -1 3 303.383 2.835 20 0 DFADHM O=C(CC[S@@](=O)c1ccc([O-])cc1)Nc1cccc(F)c1 ZINC000108084904 426010077 /nfs/dbraw/zinc/01/00/77/426010077.db2.gz 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/nfs/dbraw/zinc/12/55/40/426125540.db2.gz OEQAYWRIOKSXJO-UHFFFAOYSA-N -1 3 309.285 2.790 20 0 DFADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000167022819 426130893 /nfs/dbraw/zinc/13/08/93/426130893.db2.gz IWFJOSQKGMVCMY-UHFFFAOYSA-N -1 3 317.407 2.622 20 0 DFADHM Cc1cccc2c(CCNC(=O)c3ccc4n[n-]nc4c3)c[nH]c21 ZINC000128740139 426131862 /nfs/dbraw/zinc/13/18/62/426131862.db2.gz RNSANKRTSSKZJK-UHFFFAOYSA-N -1 3 319.368 2.720 20 0 DFADHM CCOC(=O)CCCCSc1n[n-]c(-c2ccccn2)n1 ZINC000128866065 426136640 /nfs/dbraw/zinc/13/66/40/426136640.db2.gz VPHXCVZPMMMRCI-UHFFFAOYSA-N -1 3 306.391 2.692 20 0 DFADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000075491313 426074979 /nfs/dbraw/zinc/07/49/79/426074979.db2.gz INAJHZYDTPFRIG-MNOVXSKESA-N -1 3 315.373 2.613 20 0 DFADHM CCOc1ccccc1C(F)(F)C(=O)[N-]Cc1ccccn1 ZINC000162887614 426081820 /nfs/dbraw/zinc/08/18/20/426081820.db2.gz DUSCVQCZGMYUNA-UHFFFAOYSA-N -1 3 306.312 2.889 20 0 DFADHM CCOc1c(F)cccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000079700758 426200607 /nfs/dbraw/zinc/20/06/07/426200607.db2.gz IIERCQHNHOFSJK-UHFFFAOYSA-N -1 3 318.230 2.614 20 0 DFADHM CCOc1c(F)cccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000079700758 426200608 /nfs/dbraw/zinc/20/06/08/426200608.db2.gz IIERCQHNHOFSJK-UHFFFAOYSA-N -1 3 318.230 2.614 20 0 DFADHM Cc1cc(Cl)cc(NC(=O)CCNC(=O)c2ccco2)c1[O-] ZINC000116978812 426203379 /nfs/dbraw/zinc/20/33/79/426203379.db2.gz NRLSWHGZKXFEOI-UHFFFAOYSA-N -1 3 322.748 2.706 20 0 DFADHM Cn1cc(/C=C/C(=O)[N-]O[C@H]2CCCCO2)c2ccccc21 ZINC000079865000 426204801 /nfs/dbraw/zinc/20/48/01/426204801.db2.gz IDGRUGBJOKBUKF-FVNWOWOISA-N -1 3 300.358 2.766 20 0 DFADHM CCC(CC)(CNC(=O)c1c[n-]nn1)c1ccc(Cl)cc1 ZINC000170637217 426141851 /nfs/dbraw/zinc/14/18/51/426141851.db2.gz KCGBCCVMGDHIPJ-UHFFFAOYSA-N -1 3 306.797 2.946 20 0 DFADHM CCC(CC)(CNC(=O)c1cnn[n-]1)c1ccc(Cl)cc1 ZINC000170637217 426141853 /nfs/dbraw/zinc/14/18/53/426141853.db2.gz KCGBCCVMGDHIPJ-UHFFFAOYSA-N -1 3 306.797 2.946 20 0 DFADHM CCC(CC)(CNC(=O)c1cn[n-]n1)c1ccc(Cl)cc1 ZINC000170637217 426141856 /nfs/dbraw/zinc/14/18/56/426141856.db2.gz KCGBCCVMGDHIPJ-UHFFFAOYSA-N -1 3 306.797 2.946 20 0 DFADHM Cc1ccc(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000077612469 426142126 /nfs/dbraw/zinc/14/21/26/426142126.db2.gz QTLNCVKTTIXISY-LBPRGKRZSA-N -1 3 320.389 2.896 20 0 DFADHM CC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000130089986 426146848 /nfs/dbraw/zinc/14/68/48/426146848.db2.gz MJGANGYRGGCGQZ-HNNXBMFYSA-N -1 3 307.357 2.999 20 0 DFADHM CC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000130089986 426146852 /nfs/dbraw/zinc/14/68/52/426146852.db2.gz MJGANGYRGGCGQZ-HNNXBMFYSA-N -1 3 307.357 2.999 20 0 DFADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nccs1 ZINC000078004449 426154230 /nfs/dbraw/zinc/15/42/30/426154230.db2.gz FKQWMOPMCKDIHF-LLVKDONJSA-N -1 3 300.380 2.712 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCc2ccc(CO)c(F)c2)c1 ZINC000170855409 426155802 /nfs/dbraw/zinc/15/58/02/426155802.db2.gz ABYQATCSQYTDJN-UHFFFAOYSA-N 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XARKZTOVEHWWEB-UHFFFAOYSA-N -1 3 310.357 2.547 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1F)c1nccs1 ZINC000116377294 426187365 /nfs/dbraw/zinc/18/73/65/426187365.db2.gz HGYLRYQGFGVBQB-UHFFFAOYSA-N -1 3 318.370 2.635 20 0 DFADHM COc1ccc(C(=O)CCC(=O)Nc2ncccc2[O-])cc1F ZINC000081709237 426225729 /nfs/dbraw/zinc/22/57/29/426225729.db2.gz FIWDYDYHKAKKEG-UHFFFAOYSA-N -1 3 318.304 2.537 20 0 DFADHM CC(C)(CNC(=O)c1ccc(O)cc1[O-])c1cccc(F)c1 ZINC000118251473 426230784 /nfs/dbraw/zinc/23/07/84/426230784.db2.gz UJHUDLUFABXEQT-UHFFFAOYSA-N -1 3 303.333 2.945 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC000118274517 426231285 /nfs/dbraw/zinc/23/12/85/426231285.db2.gz WLSOWSYGXYUBRN-XHDPSFHLSA-N -1 3 307.390 2.669 20 0 DFADHM Cc1ccccc1O[C@H](C)CNC(=O)c1ccc(O)cc1[O-] ZINC000172877113 426231793 /nfs/dbraw/zinc/23/17/93/426231793.db2.gz MSQMCTQEEDCCFX-GFCCVEGCSA-N -1 3 301.342 2.604 20 0 DFADHM Cc1cc(C[N-]S(=O)(=O)c2cccc3ccccc32)on1 ZINC000083987970 426231794 /nfs/dbraw/zinc/23/17/94/426231794.db2.gz KSPWGSZDISMAHF-UHFFFAOYSA-N -1 3 302.355 2.615 20 0 DFADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CSc2ccccc21 ZINC000118307682 426232126 /nfs/dbraw/zinc/23/21/26/426232126.db2.gz WGKNGASCFIUIEY-CYBMUJFWSA-N -1 3 323.381 2.695 20 0 DFADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CSc2ccccc21 ZINC000118307682 426232128 /nfs/dbraw/zinc/23/21/28/426232128.db2.gz WGKNGASCFIUIEY-CYBMUJFWSA-N -1 3 323.381 2.695 20 0 DFADHM COc1ccc(CNC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000136070277 426234413 /nfs/dbraw/zinc/23/44/13/426234413.db2.gz HJAAKYYVIQOPOP-UHFFFAOYSA-N -1 3 305.761 2.913 20 0 DFADHM CN(C)[C@H](CNC(=O)Cc1ccc([O-])cc1Cl)c1ccco1 ZINC000136058075 426234693 /nfs/dbraw/zinc/23/46/93/426234693.db2.gz OMVJNSJTYNMBBR-CQSZACIVSA-N -1 3 322.792 2.600 20 0 DFADHM CC(=O)c1cnc(NC(=O)Cc2ccc([O-])cc2Cl)s1 ZINC000136286722 426238198 /nfs/dbraw/zinc/23/81/98/426238198.db2.gz DUCUPJGDZPXDPK-UHFFFAOYSA-N -1 3 310.762 2.886 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]Cc2ccsc2)c(F)cc1F ZINC000084658706 426243169 /nfs/dbraw/zinc/24/31/69/426243169.db2.gz SEWFNKSMDCAWLR-UHFFFAOYSA-N -1 3 303.355 2.813 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-]CCC(C)(C)C2CC2)s1 ZINC000339109073 268755690 /nfs/dbraw/zinc/75/56/90/268755690.db2.gz GDVWJAPHNKNFDF-UHFFFAOYSA-N -1 3 302.465 2.810 20 0 DFADHM O=S(=O)(Cc1ccccc1Oc1ccccc1)c1nnc[n-]1 ZINC000086169691 426255905 /nfs/dbraw/zinc/25/59/05/426255905.db2.gz MDNNGDRONNTWSG-UHFFFAOYSA-N -1 3 315.354 2.571 20 0 DFADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CC3(C)C)c2)n1 ZINC000119017867 426256131 /nfs/dbraw/zinc/25/61/31/426256131.db2.gz VIZOALBHRWDLBI-CQSZACIVSA-N -1 3 311.385 2.984 20 0 DFADHM Cc1noc2ncc(C(=O)[N-]c3nnc(C(F)F)s3)cc12 ZINC000144564000 426258780 /nfs/dbraw/zinc/25/87/80/426258780.db2.gz MHJAPHYJRUPROI-UHFFFAOYSA-N -1 3 311.273 2.573 20 0 DFADHM O=C(Nc1ncccc1[O-])c1cccc(-c2noc(C3CC3)n2)c1 ZINC000175024932 426274814 /nfs/dbraw/zinc/27/48/14/426274814.db2.gz VOZWJBLSKOVXJW-UHFFFAOYSA-N -1 3 322.324 2.967 20 0 DFADHM CCOc1ccc(OCC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174868660 426266683 /nfs/dbraw/zinc/26/66/83/426266683.db2.gz LSIWTQZASAHNIJ-UHFFFAOYSA-N -1 3 305.305 2.948 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Cl)c(Cl)c1 ZINC000151022101 426273377 /nfs/dbraw/zinc/27/33/77/426273377.db2.gz MBQZNTPJYPOTNV-MKCWBWRRSA-N -1 3 322.213 2.592 20 0 DFADHM COc1ccc([C@@H](CCO)NC(=O)c2cccc(C)c2[O-])cc1 ZINC000135216003 426210261 /nfs/dbraw/zinc/21/02/61/426210261.db2.gz WDRYDWWOXOTCIW-MRXNPFEDSA-N -1 3 315.369 2.563 20 0 DFADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(C(F)(F)F)cc1 ZINC000171805533 426212906 /nfs/dbraw/zinc/21/29/06/426212906.db2.gz SMPQMVVBAKLMTF-NSHDSACASA-N -1 3 309.309 2.626 20 0 DFADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000117374590 426213487 /nfs/dbraw/zinc/21/34/87/426213487.db2.gz SSVXRLZVYIBTCJ-UWVGGRQHSA-N -1 3 321.414 2.917 20 0 DFADHM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc2nn[n-]c21 ZINC000119261495 426273618 /nfs/dbraw/zinc/27/36/18/426273618.db2.gz 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/nfs/dbraw/zinc/03/99/53/269039953.db2.gz HNUAGIIASNGLPY-UHFFFAOYSA-N -1 3 316.267 2.691 20 0 DFADHM CC(=O)c1cc(NC(=O)c2cc(F)cc3n[n-]nc32)ccc1F ZINC000341075435 269039955 /nfs/dbraw/zinc/03/99/55/269039955.db2.gz HNUAGIIASNGLPY-UHFFFAOYSA-N -1 3 316.267 2.691 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N[C@H](C)C[C@H]3CCCO3)c(=O)c2c1 ZINC000341278209 269058784 /nfs/dbraw/zinc/05/87/84/269058784.db2.gz GOORUDKVEQGDHV-CHWSQXEVSA-N -1 3 314.385 2.524 20 0 DFADHM Cc1ncc(C[N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000098039005 426476161 /nfs/dbraw/zinc/47/61/61/426476161.db2.gz RQAJNGZAPHRSNK-UHFFFAOYSA-N -1 3 302.808 2.583 20 0 DFADHM CC1(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])COC1 ZINC000177409320 426476766 /nfs/dbraw/zinc/47/67/66/426476766.db2.gz WQENELUNBDVYEO-UHFFFAOYSA-N -1 3 313.353 2.951 20 0 DFADHM Cc1ccnn1-c1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000124390815 426482361 /nfs/dbraw/zinc/48/23/61/426482361.db2.gz JIVBDTOITZSXFE-OAHLLOKOSA-N -1 3 316.361 2.760 20 0 DFADHM Cc1ccnn1-c1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000124390815 426482363 /nfs/dbraw/zinc/48/23/63/426482363.db2.gz JIVBDTOITZSXFE-OAHLLOKOSA-N -1 3 316.361 2.760 20 0 DFADHM COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc([O-])cc(F)c1 ZINC000186151783 426488678 /nfs/dbraw/zinc/48/86/78/426488678.db2.gz MLYIKSUBWZKGSC-KCXAZCMYSA-N -1 3 307.365 2.837 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CCc2ccc(Cl)cc2C1 ZINC000124431148 426483667 /nfs/dbraw/zinc/48/36/67/426483667.db2.gz OZMBSSPQHWUOBN-UHFFFAOYSA-N -1 3 312.760 2.810 20 0 DFADHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)o1 ZINC000101569228 426484515 /nfs/dbraw/zinc/48/45/15/426484515.db2.gz ZTAOUHCBNGQFHK-VIFPVBQESA-N -1 3 301.314 2.906 20 0 DFADHM Cc1cc(C[N-]S(=O)(=O)c2cccc(F)c2F)ccc1F ZINC000101569855 426484724 /nfs/dbraw/zinc/48/47/24/426484724.db2.gz UQQTUGKWDROMBG-UHFFFAOYSA-N -1 3 315.316 2.891 20 0 DFADHM COCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000101577905 426485162 /nfs/dbraw/zinc/48/51/62/426485162.db2.gz YEZQFUXOMGZLJY-QMMMGPOBSA-N -1 3 312.218 2.697 20 0 DFADHM Cc1cc(C(=O)N2CCO[C@@H](c3cccs3)C2)ccc1[O-] ZINC000272371814 426508690 /nfs/dbraw/zinc/50/86/90/426508690.db2.gz DMSXLBGWSOBCQQ-CQSZACIVSA-N -1 3 303.383 2.976 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)CCCOC)c([O-])c1 ZINC000272369465 426508745 /nfs/dbraw/zinc/50/87/45/426508745.db2.gz QYCOWLBQMSROBW-NSHDSACASA-N -1 3 309.362 2.570 20 0 DFADHM O=C([C@@H](O)CCc1ccccc1)N1CCCc2cccc([O-])c21 ZINC000272378492 426510927 /nfs/dbraw/zinc/51/09/27/426510927.db2.gz BNWKQLNUPWVJOQ-KRWDZBQOSA-N -1 3 311.381 2.665 20 0 DFADHM Cc1cc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)ccc1[O-] ZINC000272390201 426513225 /nfs/dbraw/zinc/51/32/25/426513225.db2.gz GSXJXTWKZWDBJZ-LBPRGKRZSA-N -1 3 322.405 2.686 20 0 DFADHM COC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)cccc2[O-])c1C ZINC000272390268 426513363 /nfs/dbraw/zinc/51/33/63/426513363.db2.gz CRINBWHEZDDIRM-UHFFFAOYSA-N -1 3 302.330 2.684 20 0 DFADHM COc1ccc(OCCCNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000272388421 426513606 /nfs/dbraw/zinc/51/36/06/426513606.db2.gz GMNAAMUOMHYVMA-UHFFFAOYSA-N -1 3 315.369 2.908 20 0 DFADHM COc1cccc(C(=O)NCc2ccccc2-n2cccn2)c1[O-] ZINC000195327781 426516732 /nfs/dbraw/zinc/51/67/32/426516732.db2.gz CJCSVHFWNWRYPY-UHFFFAOYSA-N -1 3 323.352 2.517 20 0 DFADHM Cc1ccc(N2CC[C@H](NC(=O)c3ccc([O-])c(C)c3)C2=O)cc1 ZINC000272400931 426517585 /nfs/dbraw/zinc/51/75/85/426517585.db2.gz HROSXBCNWCIGEL-INIZCTEOSA-N -1 3 324.380 2.544 20 0 DFADHM COc1ccc([O-])c(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1 ZINC000186392305 426519740 /nfs/dbraw/zinc/51/97/40/426519740.db2.gz ASRDZLPNLYTKGI-JTQLQIEISA-N -1 3 301.346 2.821 20 0 DFADHM O=C(C[C@@H]1OC(=O)c2ccccc21)N1CCCc2cccc([O-])c21 ZINC000272411543 426519764 /nfs/dbraw/zinc/51/97/64/426519764.db2.gz FTPNLWDLKXICQU-INIZCTEOSA-N -1 3 323.348 2.973 20 0 DFADHM Oc1[n-]c(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)nc2nncc1-2 ZINC000280213696 426522894 /nfs/dbraw/zinc/52/28/94/426522894.db2.gz KIIHBPMFJKJJKL-ZYHUDNBSSA-N -1 3 313.336 2.946 20 0 DFADHM Cc1cccc(OCCN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000177918503 426538987 /nfs/dbraw/zinc/53/89/87/426538987.db2.gz DXWSNHYNDKHRMV-CQSZACIVSA-N -1 3 301.390 2.871 20 0 DFADHM CC(C)OCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000186580813 426555193 /nfs/dbraw/zinc/55/51/93/426555193.db2.gz UHFFGPSPJBXRRJ-UHFFFAOYSA-N -1 3 312.218 2.697 20 0 DFADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCOC2)c1Cl ZINC000264368084 426544094 /nfs/dbraw/zinc/54/40/94/426544094.db2.gz IMTAMSZODAQJFQ-VIFPVBQESA-N -1 3 324.229 2.759 20 0 DFADHM COc1ccccc1O[C@H](C)CNC(=O)c1ccc([O-])c(C)c1 ZINC000272514585 426544702 /nfs/dbraw/zinc/54/47/02/426544702.db2.gz NARUTMUJUJNDFS-CYBMUJFWSA-N -1 3 315.369 2.907 20 0 DFADHM CC1(C)CN(Cc2cc(=O)oc3cc([O-])ccc23)CCS1 ZINC000177519689 426491814 /nfs/dbraw/zinc/49/18/14/426491814.db2.gz JTEBIRPYDCJBGG-UHFFFAOYSA-N -1 3 305.399 2.826 20 0 DFADHM O=C(CC1CCN(Cc2cc([O-])cc(F)c2)CC1)N1CCCC1 ZINC000186191680 426492102 /nfs/dbraw/zinc/49/21/02/426492102.db2.gz PPFJFZLXVULMJJ-UHFFFAOYSA-N -1 3 320.408 2.756 20 0 DFADHM O=C1C[C@H](c2ccccc2)N(Cc2cc([O-])cc(F)c2)CCN1 ZINC000186191820 426492248 /nfs/dbraw/zinc/49/22/48/426492248.db2.gz ZELLWTMOAVMVPI-QGZVFWFLSA-N -1 3 314.360 2.595 20 0 DFADHM COc1ccccc1CN(CCO)Cc1cc([O-])cc(F)c1 ZINC000186188447 426492292 /nfs/dbraw/zinc/49/22/92/426492292.db2.gz MBUKWUFICUJAPM-UHFFFAOYSA-N -1 3 305.349 2.534 20 0 DFADHM COC(=O)c1ccc(CN(C)Cc2cc([O-])cc(F)c2)cc1 ZINC000186188934 426492491 /nfs/dbraw/zinc/49/24/91/426492491.db2.gz UPHZSEYUYYTYOS-UHFFFAOYSA-N -1 3 303.333 2.950 20 0 DFADHM CCCCN(CC(F)(F)F)C(=O)c1ccc2n[n-]nc2c1 ZINC000194877558 426495336 /nfs/dbraw/zinc/49/53/36/426495336.db2.gz HTPJZZZHZOJHTD-UHFFFAOYSA-N -1 3 300.284 2.763 20 0 DFADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@H]3C(C)C)cc2)n1 ZINC000186263532 426498293 /nfs/dbraw/zinc/49/82/93/426498293.db2.gz CCDSWFKSXMUYBS-LSDHHAIUSA-N -1 3 311.385 2.976 20 0 DFADHM C[C@@H]1CCN(C(=O)c2ccc3nncn3c2)c2c([O-])cccc21 ZINC000186281765 426499947 /nfs/dbraw/zinc/49/99/47/426499947.db2.gz TXIGRHCRQOWWBO-LLVKDONJSA-N -1 3 308.341 2.589 20 0 DFADHM C[C@@H]1CCN(C(=O)c2ccc(C(N)=O)s2)c2c([O-])cccc21 ZINC000186281727 426500531 /nfs/dbraw/zinc/50/05/31/426500531.db2.gz BJYNGMFANHBBBU-SECBINFHSA-N -1 3 316.382 2.707 20 0 DFADHM O=S(=O)(Cc1ccccc1F)[N-]c1nc2ccccc2[nH]1 ZINC000186619998 426565220 /nfs/dbraw/zinc/56/52/20/426565220.db2.gz PDLJJGCCCSVCGK-UHFFFAOYSA-N -1 3 305.334 2.644 20 0 DFADHM CCOc1cc(-c2noc([C@@H]3CC[C@H]3C(=O)OC)n2)ccc1[O-] ZINC000288998195 426566445 /nfs/dbraw/zinc/56/64/45/426566445.db2.gz DFXOQQRBOMDAHS-GHMZBOCLSA-N -1 3 318.329 2.508 20 0 DFADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([O-])c(OC)c2)C1(C)C ZINC000272603841 426572744 /nfs/dbraw/zinc/57/27/44/426572744.db2.gz LOUOFNRLFYEYOK-HUUCEWRRSA-N -1 3 307.390 2.676 20 0 DFADHM COCCCO[N-]C(=O)Nc1cc(F)ccc1Br ZINC000289084001 426580294 /nfs/dbraw/zinc/58/02/94/426580294.db2.gz ODFOALXALSTWIK-UHFFFAOYSA-N -1 3 321.146 2.678 20 0 DFADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000178190074 426583481 /nfs/dbraw/zinc/58/34/81/426583481.db2.gz PUZFNUYDBDHKQV-UHFFFAOYSA-N -1 3 319.777 2.758 20 0 DFADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000178190074 426583486 /nfs/dbraw/zinc/58/34/86/426583486.db2.gz PUZFNUYDBDHKQV-UHFFFAOYSA-N -1 3 319.777 2.758 20 0 DFADHM CC(C)[C@H]1CC[C@H](C(=O)N2CCc3c(nc[n-]c3=O)C2)CC1 ZINC000273221688 426621286 /nfs/dbraw/zinc/62/12/86/426621286.db2.gz LDQXHXSERQYCMG-JOCQHMNTSA-N -1 3 303.406 2.529 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)C(C)(C)C ZINC000265169299 426588830 /nfs/dbraw/zinc/58/88/30/426588830.db2.gz CSOXODYOKIPROL-VIFPVBQESA-N -1 3 316.398 2.818 20 0 DFADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)CCC2CCC2)o1 ZINC000289171700 426596385 /nfs/dbraw/zinc/59/63/85/426596385.db2.gz OTYSJHUEOHCGAP-CQSZACIVSA-N -1 3 315.435 2.639 20 0 DFADHM CN(C[C@@H]1CCCOC1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280547156 426598606 /nfs/dbraw/zinc/59/86/06/426598606.db2.gz OWYMVOXTHNFAKY-JTQLQIEISA-N -1 3 317.307 2.910 20 0 DFADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)c([O-])c1 ZINC000280570789 426603970 /nfs/dbraw/zinc/60/39/70/426603970.db2.gz OXZQVJFXCLPSAW-ACJLOTCBSA-N -1 3 319.401 2.536 20 0 DFADHM CC(F)(F)C(=O)[N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000289224807 426608479 /nfs/dbraw/zinc/60/84/79/426608479.db2.gz NHNZOVUDKQMGJY-MRVPVSSYSA-N -1 3 306.715 2.829 20 0 DFADHM C[C@H](CC1CCCCC1)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273186367 426610441 /nfs/dbraw/zinc/61/04/41/426610441.db2.gz FWHZDZBYVDQLJS-GFCCVEGCSA-N -1 3 303.406 2.673 20 0 DFADHM C[C@@H](CC1CCCCC1)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273186369 426611335 /nfs/dbraw/zinc/61/13/35/426611335.db2.gz FWHZDZBYVDQLJS-LBPRGKRZSA-N -1 3 303.406 2.673 20 0 DFADHM CCOCCO[N-]C(=O)/C=C/c1ccccc1O[C@@H](C)CC ZINC000186949280 426611821 /nfs/dbraw/zinc/61/18/21/426611821.db2.gz TWGVCUAPXUOWNN-VNDWYCCKSA-N -1 3 307.390 2.961 20 0 DFADHM CCOc1cc(-c2noc([C@@H]3CCCCC(=O)N3)n2)ccc1[O-] ZINC000289242546 426612271 /nfs/dbraw/zinc/61/22/71/426612271.db2.gz VAWZUQLVARVZHR-NSHDSACASA-N -1 3 317.345 2.572 20 0 DFADHM CSCCON=C([O-])Nc1ccc(Br)cc1 ZINC000280617340 426617077 /nfs/dbraw/zinc/61/70/77/426617077.db2.gz VXUZATGGKOSMDB-UHFFFAOYSA-N -1 3 305.197 2.865 20 0 DFADHM CSCCO[N-]C(=O)Nc1ccc(Br)cc1 ZINC000280617340 426617078 /nfs/dbraw/zinc/61/70/78/426617078.db2.gz VXUZATGGKOSMDB-UHFFFAOYSA-N -1 3 305.197 2.865 20 0 DFADHM CCOc1cc(-c2noc(C3(COC)CCC3)n2)ccc1[O-] ZINC000288948063 426555843 /nfs/dbraw/zinc/55/58/43/426555843.db2.gz AGJVIUXZIGUFJP-UHFFFAOYSA-N -1 3 304.346 2.909 20 0 DFADHM COc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cn1 ZINC000187012497 426620392 /nfs/dbraw/zinc/62/03/92/426620392.db2.gz HSKLGXUAXVIQIQ-UHFFFAOYSA-N -1 3 300.343 2.794 20 0 DFADHM COc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cn1 ZINC000187012497 426620395 /nfs/dbraw/zinc/62/03/95/426620395.db2.gz HSKLGXUAXVIQIQ-UHFFFAOYSA-N -1 3 300.343 2.794 20 0 DFADHM CCC[C@@H](C)Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000178508262 426643091 /nfs/dbraw/zinc/64/30/91/426643091.db2.gz HWCUGLGPEUEDCC-SECBINFHSA-N -1 3 321.402 2.694 20 0 DFADHM COCCCOc1cccc(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000273351363 426648656 /nfs/dbraw/zinc/64/86/56/426648656.db2.gz BZACIOPMAPUHQD-UHFFFAOYSA-N -1 3 316.357 2.763 20 0 DFADHM CCOCCC1(CNC(=O)/N=c2\cc[n-]n2C(C)C)CCC1 ZINC000178557355 426654447 /nfs/dbraw/zinc/65/44/47/426654447.db2.gz AJSOREBKXUNKQY-XMHGGMMESA-N -1 3 308.426 2.604 20 0 DFADHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000178565567 426656441 /nfs/dbraw/zinc/65/64/41/426656441.db2.gz NPFWDKAAXWBGMN-LBPRGKRZSA-N -1 3 323.817 2.555 20 0 DFADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)c1ncon1 ZINC000187446974 426663411 /nfs/dbraw/zinc/66/34/11/426663411.db2.gz RZLLZANIDZIWOA-LURJTMIESA-N -1 3 323.765 2.666 20 0 DFADHM COCCS(=O)(=O)[N-]c1cccc(C2SCCS2)c1 ZINC000265637630 426664488 /nfs/dbraw/zinc/66/44/88/426664488.db2.gz PESBPGSRYYRHOM-UHFFFAOYSA-N -1 3 319.473 2.553 20 0 DFADHM COc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1F ZINC000187609908 426676567 /nfs/dbraw/zinc/67/65/67/426676567.db2.gz NLWUECPLAOWTQJ-UHFFFAOYSA-N -1 3 317.242 2.961 20 0 DFADHM CCc1occc1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000280655567 426626902 /nfs/dbraw/zinc/62/69/02/426626902.db2.gz DZJFDTIHOQSRFW-UHFFFAOYSA-N -1 3 322.386 2.774 20 0 DFADHM CC[C@](C)(OC)c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000290149857 426703496 /nfs/dbraw/zinc/70/34/96/426703496.db2.gz PQSCTRXEJONOJG-HNNXBMFYSA-N -1 3 308.334 2.731 20 0 DFADHM COC(=O)c1cnc(SCc2nc(C3CCCC3)no2)[n-]1 ZINC000188091115 426721278 /nfs/dbraw/zinc/72/12/78/426721278.db2.gz GVHWXKKLOKXAJI-UHFFFAOYSA-N -1 3 308.363 2.529 20 0 DFADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000273615239 426696305 /nfs/dbraw/zinc/69/63/05/426696305.db2.gz PPDVWQZDCDGXBZ-SSDOTTSWSA-N -1 3 317.823 2.539 20 0 DFADHM COc1cc(C(=O)N2CC[C@H](C)C(C)(C)C2)cc(OC)c1[O-] ZINC000273639335 426701342 /nfs/dbraw/zinc/70/13/42/426701342.db2.gz RWEKHACJIJOBTG-NSHDSACASA-N -1 3 307.390 2.918 20 0 DFADHM Cn1c2ccccc2nc1NCCCNC(=O)c1cccc([O-])c1 ZINC000178811318 426702313 /nfs/dbraw/zinc/70/23/13/426702313.db2.gz DVRFPVWBFLUJOD-UHFFFAOYSA-N -1 3 324.384 2.511 20 0 DFADHM CCC1(CC)CCN(C(=O)c2cnc3c(cnn3C)c2[O-])CC1 ZINC000188601621 426768068 /nfs/dbraw/zinc/76/80/68/426768068.db2.gz JZXOVGNQQMJYGQ-UHFFFAOYSA-N -1 3 316.405 2.716 20 0 DFADHM O=C(Nc1ccccc1[O-])c1cn(-c2cccc(Cl)c2)nn1 ZINC000188614346 426769255 /nfs/dbraw/zinc/76/92/55/426769255.db2.gz WNLKUBRYMXHRFI-UHFFFAOYSA-N -1 3 314.732 2.879 20 0 DFADHM CN(C(=O)CNC(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC000290470478 426770479 /nfs/dbraw/zinc/77/04/79/426770479.db2.gz USSRVTQZGGFEQR-UHFFFAOYSA-N -1 3 324.808 2.567 20 0 DFADHM Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000179224815 426770757 /nfs/dbraw/zinc/77/07/57/426770757.db2.gz JEOZMYDBIDVTLB-FUHWJXTLSA-N -1 3 310.397 2.876 20 0 DFADHM Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c([O-])c1 ZINC000245850452 426776498 /nfs/dbraw/zinc/77/64/98/426776498.db2.gz JEOZMYDBIDVTLB-AEFFLSMTSA-N -1 3 310.397 2.876 20 0 DFADHM CC(C)c1ccc(C(=O)NCC2([S@@](C)=O)CCC2)c([O-])c1 ZINC000281849100 426778468 /nfs/dbraw/zinc/77/84/68/426778468.db2.gz RWGXURWFKDAECE-OAQYLSRUSA-N -1 3 309.431 2.547 20 0 DFADHM CO[C@H](C[N-]S(=O)(=O)c1ccco1)c1cccc(Cl)c1 ZINC000188733536 426784720 /nfs/dbraw/zinc/78/47/20/426784720.db2.gz KBZZZEACOMDIHY-GFCCVEGCSA-N -1 3 315.778 2.599 20 0 DFADHM COc1nnc(NC(=O)c2sc3ccc(OC)cc3c2C)[n-]1 ZINC000179374182 426784912 /nfs/dbraw/zinc/78/49/12/426784912.db2.gz SLJXCRDPGTVKOO-UHFFFAOYSA-N -1 3 318.358 2.597 20 0 DFADHM COc1nc(NC(=O)c2sc3ccc(OC)cc3c2C)n[n-]1 ZINC000179374182 426784914 /nfs/dbraw/zinc/78/49/14/426784914.db2.gz SLJXCRDPGTVKOO-UHFFFAOYSA-N -1 3 318.358 2.597 20 0 DFADHM COc1n[n-]c(NC(=O)c2sc3ccc(OC)cc3c2C)n1 ZINC000179374182 426784917 /nfs/dbraw/zinc/78/49/17/426784917.db2.gz SLJXCRDPGTVKOO-UHFFFAOYSA-N -1 3 318.358 2.597 20 0 DFADHM O=C(/C=C/c1cncc([O-])c1)NCCSc1ccccc1 ZINC000179393850 426785652 /nfs/dbraw/zinc/78/56/52/426785652.db2.gz ODJDSTSBMJWMOA-VOTSOKGWSA-N -1 3 300.383 2.709 20 0 DFADHM O=S(=O)([N-]CC1CC1)c1ccc(Cl)cc1Br ZINC000281891636 426785670 /nfs/dbraw/zinc/78/56/70/426785670.db2.gz OYDNBRQAJVUDGE-UHFFFAOYSA-N -1 3 324.627 2.791 20 0 DFADHM Cn1ncc2c1ncc(C(=O)N[C@H](c1ccccc1)C1CC1)c2[O-] ZINC000179414681 426787192 /nfs/dbraw/zinc/78/71/92/426787192.db2.gz YWSRPQIXQPYPBR-OAHLLOKOSA-N -1 3 322.368 2.555 20 0 DFADHM Cc1cc(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)[n-]c(=O)n1 ZINC000274281619 426734840 /nfs/dbraw/zinc/73/48/40/426734840.db2.gz JWKXEUKCSXOGAJ-LBPRGKRZSA-N -1 3 303.406 2.923 20 0 DFADHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(C)n1C ZINC000281678899 426743174 /nfs/dbraw/zinc/74/31/74/426743174.db2.gz UIPWKQCXMLPLCW-UHFFFAOYSA-N -1 3 311.345 2.593 20 0 DFADHM CCCCC[C@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)C(C)C ZINC000179098084 426749859 /nfs/dbraw/zinc/74/98/59/426749859.db2.gz AMUSKZPYQDQDQT-ZDUSSCGKSA-N -1 3 305.422 2.507 20 0 DFADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)C(C)C)c1Cl ZINC000274357486 426753805 /nfs/dbraw/zinc/75/38/05/426753805.db2.gz LGIJOZXTUSDMQD-UHFFFAOYSA-N -1 3 324.229 2.805 20 0 DFADHM O=C(CNC(=O)c1cccc([O-])c1)NCC1CCCCCCC1 ZINC000274423195 426765371 /nfs/dbraw/zinc/76/53/71/426765371.db2.gz DSQVVIQCVCXCMJ-UHFFFAOYSA-N -1 3 318.417 2.599 20 0 DFADHM CCO[C@H]1C[C@H](NC(=O)/C=C/c2cncc([O-])c2)C12CCCC2 ZINC000179526242 426799786 /nfs/dbraw/zinc/79/97/86/426799786.db2.gz PNGDFVJJJRTULU-DKLOGILVSA-N -1 3 316.401 2.654 20 0 DFADHM Cc1cccc([O-])c1NC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000179554469 426800873 /nfs/dbraw/zinc/80/08/73/426800873.db2.gz AUCNLCNMRWUMLC-SNVBAGLBSA-N -1 3 319.386 2.500 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000179562361 426801580 /nfs/dbraw/zinc/80/15/80/426801580.db2.gz QPINZQKJGUPLER-UHFFFAOYSA-N -1 3 312.325 2.910 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC(=O)Nc2ccccc21 ZINC000179651057 426810263 /nfs/dbraw/zinc/81/02/63/426810263.db2.gz LMHXOVSZAASAPH-LLVKDONJSA-N -1 3 300.289 2.596 20 0 DFADHM Cc1scc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1C ZINC000179701697 426812941 /nfs/dbraw/zinc/81/29/41/426812941.db2.gz UXTORRKHHRJYTF-UHFFFAOYSA-N -1 3 324.427 2.989 20 0 DFADHM O=S(=O)([N-][C@H]1CC[C@@H](Cc2ccccc2)C1)c1ccco1 ZINC000189071911 426815864 /nfs/dbraw/zinc/81/58/64/426815864.db2.gz DDNMVCSVAPVVAH-GJZGRUSLSA-N -1 3 305.399 2.969 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)Cc3ccccc3)[n-]c21 ZINC000179775512 426816834 /nfs/dbraw/zinc/81/68/34/426816834.db2.gz ZIWPXDTWCGIAJA-UHFFFAOYSA-N -1 3 309.325 2.531 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccccc3)nc21 ZINC000179775512 426816836 /nfs/dbraw/zinc/81/68/36/426816836.db2.gz ZIWPXDTWCGIAJA-UHFFFAOYSA-N -1 3 309.325 2.531 20 0 DFADHM COc1ccc(CC(C)(C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000189159720 426824155 /nfs/dbraw/zinc/82/41/55/426824155.db2.gz UXJRJKREAGLPGC-UHFFFAOYSA-N -1 3 315.369 2.858 20 0 DFADHM O=S(=O)([N-]C[C@H]1CCCOC1)c1ccc(Cl)cc1Cl ZINC000282078173 426825892 /nfs/dbraw/zinc/82/58/92/426825892.db2.gz WCDRPNSKLHEGRA-SECBINFHSA-N -1 3 324.229 2.698 20 0 DFADHM C[C@@H](CO)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179984358 426828006 /nfs/dbraw/zinc/82/80/06/426828006.db2.gz ISBKQAUROPHLIJ-LBPRGKRZSA-N -1 3 301.342 2.637 20 0 DFADHM C[C@H]1c2ccsc2CCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000282142825 426837283 /nfs/dbraw/zinc/83/72/83/426837283.db2.gz RZVPSCTYHIHMDS-QMMMGPOBSA-N -1 3 316.361 2.918 20 0 DFADHM C[C@H]1c2ccsc2CCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000282142825 426837286 /nfs/dbraw/zinc/83/72/86/426837286.db2.gz RZVPSCTYHIHMDS-QMMMGPOBSA-N -1 3 316.361 2.918 20 0 DFADHM C[C@H]1c2ccsc2CCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000282142825 426837292 /nfs/dbraw/zinc/83/72/92/426837292.db2.gz RZVPSCTYHIHMDS-QMMMGPOBSA-N -1 3 316.361 2.918 20 0 DFADHM COc1ccc(/C=C/C(=O)NCc2ccc([O-])c(F)c2)cc1O ZINC000180179334 426840717 /nfs/dbraw/zinc/84/07/17/426840717.db2.gz JQEJMRGDLJBKOL-QPJJXVBHSA-N -1 3 317.316 2.575 20 0 DFADHM CSCC1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000295180306 426852320 /nfs/dbraw/zinc/85/23/20/426852320.db2.gz AKASRXOPNYRUDS-UHFFFAOYSA-N -1 3 305.490 2.948 20 0 DFADHM O=C(c1ccc(C2=CCCC2)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000290837537 426852478 /nfs/dbraw/zinc/85/24/78/426852478.db2.gz XRPYCSOZMPMWNP-UHFFFAOYSA-N -1 3 321.380 2.948 20 0 DFADHM O=C(NCC1(O)CCCCC1)c1cc([O-])ccc1C(F)(F)F ZINC000189441338 426856383 /nfs/dbraw/zinc/85/63/83/426856383.db2.gz IKGLFHMQOQODSY-UHFFFAOYSA-N -1 3 317.307 2.836 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@H]2CCCC[C@@H]21 ZINC000281914853 426791535 /nfs/dbraw/zinc/79/15/35/426791535.db2.gz CKDPCKYOKOVKLF-YGRLFVJLSA-N -1 3 302.353 2.892 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@H]2CCCC[C@@H]21 ZINC000281914853 426791538 /nfs/dbraw/zinc/79/15/38/426791538.db2.gz CKDPCKYOKOVKLF-YGRLFVJLSA-N -1 3 302.353 2.892 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@H]2CCCC[C@@H]21 ZINC000281914853 426791540 /nfs/dbraw/zinc/79/15/40/426791540.db2.gz CKDPCKYOKOVKLF-YGRLFVJLSA-N -1 3 302.353 2.892 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2ncc(C(C)(C)C)o2)c1 ZINC000266919206 426796080 /nfs/dbraw/zinc/79/60/80/426796080.db2.gz HTRGWSJCPSZUHH-UHFFFAOYSA-N -1 3 304.346 2.616 20 0 DFADHM CCc1cccc(CSc2[n-]c(=O)nc(C)c2C(=O)OC)c1 ZINC000188864798 426796365 /nfs/dbraw/zinc/79/63/65/426796365.db2.gz JRZXZUQBNCTNAM-UHFFFAOYSA-N -1 3 318.398 2.720 20 0 DFADHM Cc1csc([C@H]2CCCN(C(=O)c3ccc(O)cc3[O-])C2)n1 ZINC000179523393 426796654 /nfs/dbraw/zinc/79/66/54/426796654.db2.gz GMFVYWHCKPPBAC-NSHDSACASA-N -1 3 318.398 2.883 20 0 DFADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@H]1C(F)F ZINC000337679336 426916985 /nfs/dbraw/zinc/91/69/85/426916985.db2.gz HCQGMOORKJJPNC-NSHDSACASA-N -1 3 302.296 2.861 20 0 DFADHM COCCO[C@H]1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000291573820 426918668 /nfs/dbraw/zinc/91/86/68/426918668.db2.gz OCFDUGHUJXQWHJ-AWEZNQCLSA-N -1 3 319.323 2.648 20 0 DFADHM [O-]c1cncc(/C=C/c2nc(-c3ccc4c(c3)CCO4)no2)c1 ZINC000180454584 426862110 /nfs/dbraw/zinc/86/21/10/426862110.db2.gz ALMXGEVXZZFPCF-DAFODLJHSA-N -1 3 307.309 2.943 20 0 DFADHM O=C(NC[C@@H]1CCCC[C@H]1O)c1cc([O-])ccc1C(F)(F)F ZINC000189474092 426863777 /nfs/dbraw/zinc/86/37/77/426863777.db2.gz FGNOYIHOJLOHFL-TVQRCGJNSA-N -1 3 317.307 2.692 20 0 DFADHM Cc1nc(C)c(CCC(=O)N2CC3(CCC3)[C@H]2C2CC2)c(=O)[n-]1 ZINC000291046125 426874643 /nfs/dbraw/zinc/87/46/43/426874643.db2.gz GNPZATRHBXUONU-MRXNPFEDSA-N -1 3 315.417 2.523 20 0 DFADHM CCCCOc1ccccc1NC([O-])=NOC[C@H]1CCOC1 ZINC000189517351 426876017 /nfs/dbraw/zinc/87/60/17/426876017.db2.gz FMPWIZKOXNAHMI-ZDUSSCGKSA-N -1 3 308.378 2.955 20 0 DFADHM CCCCOc1ccccc1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000189517351 426876020 /nfs/dbraw/zinc/87/60/20/426876020.db2.gz FMPWIZKOXNAHMI-ZDUSSCGKSA-N -1 3 308.378 2.955 20 0 DFADHM Cc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000282315219 426878561 /nfs/dbraw/zinc/87/85/61/426878561.db2.gz YIKAARGITHSLEJ-NUEKZKHPSA-N -1 3 303.402 2.856 20 0 DFADHM CC[C@H](C)Oc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000189523750 426878838 /nfs/dbraw/zinc/87/88/38/426878838.db2.gz KYAMSZKCQQWIQY-QWHCGFSZSA-N -1 3 308.378 2.954 20 0 DFADHM Cc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1[O-] ZINC000282315212 426879534 /nfs/dbraw/zinc/87/95/34/426879534.db2.gz YIKAARGITHSLEJ-FVQBIDKESA-N -1 3 303.402 2.856 20 0 DFADHM CCCCOc1cccc(NC(=O)[N-]OC[C@H]2CCOC2)c1 ZINC000189520323 426879761 /nfs/dbraw/zinc/87/97/61/426879761.db2.gz VXLDTPGTCSWROP-ZDUSSCGKSA-N -1 3 308.378 2.955 20 0 DFADHM CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(F)ccc2[O-])CCC1 ZINC000295256631 426880437 /nfs/dbraw/zinc/88/04/37/426880437.db2.gz KMWONJHQHSNGFR-UHFFFAOYSA-N -1 3 324.352 2.917 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000282319510 426880473 /nfs/dbraw/zinc/88/04/73/426880473.db2.gz YLJNUFCKZPJOKH-IMJJTQAJSA-N -1 3 319.401 2.557 20 0 DFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC[C@H]1C(F)F ZINC000337613103 426880956 /nfs/dbraw/zinc/88/09/56/426880956.db2.gz ZUQDYERQGQAKPQ-ZDUSSCGKSA-N -1 3 306.312 2.788 20 0 DFADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000282333798 426884486 /nfs/dbraw/zinc/88/44/86/426884486.db2.gz UXMDNLSSICYXCZ-UYVFGJEYSA-N -1 3 314.364 2.748 20 0 DFADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000282333798 426884491 /nfs/dbraw/zinc/88/44/91/426884491.db2.gz UXMDNLSSICYXCZ-UYVFGJEYSA-N -1 3 314.364 2.748 20 0 DFADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000282333798 426884494 /nfs/dbraw/zinc/88/44/94/426884494.db2.gz UXMDNLSSICYXCZ-UYVFGJEYSA-N -1 3 314.364 2.748 20 0 DFADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(NCC2CC2)nc1 ZINC000337621701 426885167 /nfs/dbraw/zinc/88/51/67/426885167.db2.gz AWVDFMDMPLKIPU-UHFFFAOYSA-N -1 3 317.776 3.515 20 0 DFADHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@](C)(O)C(C)C)c[n-]c12 ZINC000305140360 426886803 /nfs/dbraw/zinc/88/68/03/426886803.db2.gz VWRHGEQQGDIHCZ-KRWDZBQOSA-N -1 3 320.364 2.525 20 0 DFADHM CSc1cc2c(cc1[N-]C(=O)c1cncs1)OCCO2 ZINC000337629510 426888118 /nfs/dbraw/zinc/88/81/18/426888118.db2.gz LPIUFKMJWIVOFY-UHFFFAOYSA-N -1 3 308.384 2.889 20 0 DFADHM Cc1cccc(OC(F)F)c1NC([O-])=NOC[C@@H]1CCOC1 ZINC000189563065 426890412 /nfs/dbraw/zinc/89/04/12/426890412.db2.gz BHPGBHJYXARGIP-SNVBAGLBSA-N -1 3 316.304 2.686 20 0 DFADHM Cc1cccc(OC(F)F)c1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189563065 426890419 /nfs/dbraw/zinc/89/04/19/426890419.db2.gz BHPGBHJYXARGIP-SNVBAGLBSA-N -1 3 316.304 2.686 20 0 DFADHM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1c([O-])cccc1O ZINC000180840124 426892357 /nfs/dbraw/zinc/89/23/57/426892357.db2.gz WWTRTACUBDKOIG-UHFFFAOYSA-N -1 3 301.327 2.802 20 0 DFADHM CON(CC1CCOCC1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000282368306 426893040 /nfs/dbraw/zinc/89/30/40/426893040.db2.gz DVXPHNSWOFKKNC-UHFFFAOYSA-N -1 3 307.390 2.946 20 0 DFADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(OCC2CC2)cc1 ZINC000189597792 426899241 /nfs/dbraw/zinc/89/92/41/426899241.db2.gz URELSOQKXHLKKP-ZDUSSCGKSA-N -1 3 306.362 2.565 20 0 DFADHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(-c2ccccc2)cnc1C ZINC000295306432 426899759 /nfs/dbraw/zinc/89/97/59/426899759.db2.gz MUUMECPQWPDDIE-GFCCVEGCSA-N -1 3 320.414 2.834 20 0 DFADHM C[C@@H](NC(=O)c1c([O-])cccc1O)[C@@H]1OCCc2sccc21 ZINC000295305930 426900401 /nfs/dbraw/zinc/90/04/01/426900401.db2.gz KQRJDAWNZWTAOF-PSLIRLAXSA-N -1 3 319.382 2.592 20 0 DFADHM COc1cc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)c(C)c(OC)c1 ZINC000337651255 426901982 /nfs/dbraw/zinc/90/19/82/426901982.db2.gz DGLDNGOPWMRZAY-NSHDSACASA-N -1 3 319.361 2.748 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c(C)c1 ZINC000305255304 426902922 /nfs/dbraw/zinc/90/29/22/426902922.db2.gz NONCZNWPDJTBMM-UHFFFAOYSA-N -1 3 309.362 2.736 20 0 DFADHM Cc1cc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)c2ccccc2n1 ZINC000295316212 426904454 /nfs/dbraw/zinc/90/44/54/426904454.db2.gz LHFZDHJDVLKNBJ-ZDUSSCGKSA-N -1 3 324.384 2.599 20 0 DFADHM COC(=O)[C@@H](CC(C)(C)C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000181001677 426905451 /nfs/dbraw/zinc/90/54/51/426905451.db2.gz ZFDUAEKGFOFGDR-LLVKDONJSA-N -1 3 320.418 2.937 20 0 DFADHM COC1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCCC1 ZINC000295325256 426908276 /nfs/dbraw/zinc/90/82/76/426908276.db2.gz LIIGGJRIRNQJEA-UHFFFAOYSA-N -1 3 300.358 2.629 20 0 DFADHM CCc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1[O-] ZINC000291563936 426913725 /nfs/dbraw/zinc/91/37/25/426913725.db2.gz YHXIOKYWIOEMIM-UHFFFAOYSA-N -1 3 302.418 2.655 20 0 DFADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000291685950 426950718 /nfs/dbraw/zinc/95/07/18/426950718.db2.gz CXGFCHIDIQIKSG-NSHDSACASA-N -1 3 319.405 2.986 20 0 DFADHM C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000295426269 426953214 /nfs/dbraw/zinc/95/32/14/426953214.db2.gz UNRHXKQIRXUQBI-ONGXEEELSA-N -1 3 309.316 2.582 20 0 DFADHM Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc(C)c1Cl ZINC000283108524 426955785 /nfs/dbraw/zinc/95/57/85/426955785.db2.gz XETJSSWWEDUNES-LBPRGKRZSA-N -1 3 303.811 2.878 20 0 DFADHM COC(=O)c1ccc([N-]C(=O)c2snnc2C2CC2)c(F)c1 ZINC000291700439 426957339 /nfs/dbraw/zinc/95/73/39/426957339.db2.gz ISVZREKPHNJFLG-UHFFFAOYSA-N -1 3 321.333 2.594 20 0 DFADHM CCCCCS(=O)(=O)[N-]Cc1noc(-c2ccccc2C)n1 ZINC000275972162 426958886 /nfs/dbraw/zinc/95/88/86/426958886.db2.gz XENAAXQTODSIGI-UHFFFAOYSA-N -1 3 323.418 2.655 20 0 DFADHM [O-]c1ccc(F)c(CN2CC[C@H](Oc3ccccn3)C2)c1F ZINC000295448674 426961438 /nfs/dbraw/zinc/96/14/38/426961438.db2.gz VBSYOUSMLDTNCH-NSHDSACASA-N -1 3 306.312 2.719 20 0 DFADHM COC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCC1 ZINC000295446818 426962570 /nfs/dbraw/zinc/96/25/70/426962570.db2.gz APIVNUKIFRUDEU-UHFFFAOYSA-N -1 3 300.358 2.629 20 0 DFADHM COc1cc(C(=O)N[C@H]2CCOC3(CCCC3)C2)ccc1[O-] ZINC000275996097 426963648 /nfs/dbraw/zinc/96/36/48/426963648.db2.gz NXRRLNNPICCDOL-ZDUSSCGKSA-N -1 3 305.374 2.622 20 0 DFADHM Cc1cc(-c2noc(CCC(=O)[N-]OC(C)C)n2)ccc1F ZINC000295458042 426968239 /nfs/dbraw/zinc/96/82/39/426968239.db2.gz BSIHFDVKWLERRT-UHFFFAOYSA-N -1 3 307.325 2.573 20 0 DFADHM CCc1cc(C(=O)N2CCO[C@H](c3nccs3)C2)ccc1[O-] ZINC000291740947 426969333 /nfs/dbraw/zinc/96/93/33/426969333.db2.gz CXUYNHDLNLUMTA-AWEZNQCLSA-N -1 3 318.398 2.625 20 0 DFADHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc2sccc2[nH]1 ZINC000189876770 426969912 /nfs/dbraw/zinc/96/99/12/426969912.db2.gz YODQZJPHBBMDTC-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc2sccc2[nH]1 ZINC000189876770 426969918 /nfs/dbraw/zinc/96/99/18/426969918.db2.gz YODQZJPHBBMDTC-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc2sccc2[nH]1 ZINC000189876770 426969924 /nfs/dbraw/zinc/96/99/24/426969924.db2.gz YODQZJPHBBMDTC-UHFFFAOYSA-N -1 3 310.342 2.662 20 0 DFADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C)nc1)C(F)(F)F ZINC000337787880 426970839 /nfs/dbraw/zinc/97/08/39/426970839.db2.gz YOVKMJIMSHZRMK-LDYMZIIASA-N -1 3 310.341 2.645 20 0 DFADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)[C@H]1CC[C@H](O)CC1 ZINC000276027014 426971070 /nfs/dbraw/zinc/97/10/70/426971070.db2.gz YVHCJLKLPOADAT-HDJSIYSDSA-N -1 3 303.402 2.647 20 0 DFADHM CCCCOc1ccc(C(=O)NCCCn2ccnc2)c([O-])c1 ZINC000189995683 426994622 /nfs/dbraw/zinc/99/46/22/426994622.db2.gz LMQLQBHGDOIPBR-UHFFFAOYSA-N -1 3 317.389 2.588 20 0 DFADHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000291757246 426978132 /nfs/dbraw/zinc/97/81/32/426978132.db2.gz UGBJDGXLTTWNDS-CYBMUJFWSA-N -1 3 321.801 2.573 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)n[n-]1 ZINC000181749383 426979500 /nfs/dbraw/zinc/97/95/00/426979500.db2.gz FEUCQNYPLJVHFY-QWHCGFSZSA-N -1 3 313.357 2.637 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)[n-]n1 ZINC000181749383 426979505 /nfs/dbraw/zinc/97/95/05/426979505.db2.gz FEUCQNYPLJVHFY-QWHCGFSZSA-N -1 3 313.357 2.637 20 0 DFADHM CC[C@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)O1 ZINC000268313346 426981951 /nfs/dbraw/zinc/98/19/51/426981951.db2.gz ZZKIFCUWTPABOO-JOYOIKCWSA-N -1 3 304.325 2.507 20 0 DFADHM C[C@@H]1CCN(C(=O)c2cnc3c(cnn3C)c2[O-])c2ccccc21 ZINC000181803968 426983993 /nfs/dbraw/zinc/98/39/93/426983993.db2.gz LLWBMEWVHIKSQQ-LLVKDONJSA-N -1 3 322.368 2.828 20 0 DFADHM Cc1ccc(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)c([O-])c1 ZINC000268320093 426984945 /nfs/dbraw/zinc/98/49/45/426984945.db2.gz STXXOQWCSCBVQK-ZBFHGGJFSA-N -1 3 313.397 2.985 20 0 DFADHM CCc1ccc(C(=O)N(CCOC)Cc2ccco2)c([O-])c1 ZINC000276099008 426985278 /nfs/dbraw/zinc/98/52/78/426985278.db2.gz RZJCJVPHJVBTIQ-UHFFFAOYSA-N -1 3 303.358 2.836 20 0 DFADHM Cc1ccc([O-])c(CN[C@H](C)[C@@H]2OCCc3sccc32)n1 ZINC000291626697 426930935 /nfs/dbraw/zinc/93/09/35/426930935.db2.gz ADKWTIPGMXEVPE-BZNIZROVSA-N -1 3 304.415 2.949 20 0 DFADHM [O-]c1cccc(CN[C@H]2CCC[C@H](O)C2)c1Br ZINC000315222268 426934010 /nfs/dbraw/zinc/93/40/10/426934010.db2.gz PNAZZXMVFGKKGD-QWRGUYRKSA-N -1 3 300.196 2.548 20 0 DFADHM [O-]c1cccc(CNC2(CO)CCCCC2)c1Br ZINC000315494014 426938423 /nfs/dbraw/zinc/93/84/23/426938423.db2.gz BQCQKANSUKFJSV-UHFFFAOYSA-N -1 3 314.223 2.940 20 0 DFADHM C[C@@H]1SCCN(Cc2cc(=O)oc3cc([O-])ccc23)[C@H]1C ZINC000182321593 427055553 /nfs/dbraw/zinc/05/55/53/427055553.db2.gz ZUFRVGBYDVJXQO-QWRGUYRKSA-N -1 3 305.399 2.824 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCc2ccccc2C1 ZINC000268371389 426998247 /nfs/dbraw/zinc/99/82/47/426998247.db2.gz GHCKFYDIZMNGBY-ZDUSSCGKSA-N -1 3 323.439 2.593 20 0 DFADHM CCOC(=O)[C@H](CC)N(C(=O)c1ccc([O-])c(C)c1)C1CC1 ZINC000276171502 426999187 /nfs/dbraw/zinc/99/91/87/426999187.db2.gz FYBCBSITSJEEHL-AWEZNQCLSA-N -1 3 305.374 2.647 20 0 DFADHM COc1ccc([C@H]2CCN(C(=O)/C=C/c3cncc([O-])c3)C2)cc1 ZINC000181950983 426999692 /nfs/dbraw/zinc/99/96/92/426999692.db2.gz PHLXHWCHKPDQAO-BGGTUALNSA-N -1 3 324.380 2.825 20 0 DFADHM Cc1ccc2c(c1)N(C(=O)c1cnc3c(cnn3C)c1[O-])CCC2 ZINC000181988197 427006144 /nfs/dbraw/zinc/00/61/44/427006144.db2.gz AOILELHRBGEQCS-UHFFFAOYSA-N -1 3 322.368 2.575 20 0 DFADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(C)(C)C ZINC000337961400 427061600 /nfs/dbraw/zinc/06/16/00/427061600.db2.gz SASWJQYGDRKJTR-AWEZNQCLSA-N -1 3 317.426 2.864 20 0 DFADHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000182090407 427011910 /nfs/dbraw/zinc/01/19/10/427011910.db2.gz ZEAHLUZEHHWFPI-NSHDSACASA-N -1 3 310.353 2.768 20 0 DFADHM CCc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)ccc1[O-] ZINC000291869496 427012809 /nfs/dbraw/zinc/01/28/09/427012809.db2.gz 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427042938 /nfs/dbraw/zinc/04/29/38/427042938.db2.gz XJTHXMUAYPMWFT-KGLIPLIRSA-N -1 3 321.421 2.607 20 0 DFADHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000268538411 427046378 /nfs/dbraw/zinc/04/63/78/427046378.db2.gz ZMNHHJMWKGSPMS-CHWSQXEVSA-N -1 3 323.439 2.666 20 0 DFADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)sc2C)o1 ZINC000291998257 427051524 /nfs/dbraw/zinc/05/15/24/427051524.db2.gz UNNNXVDLKXFVPN-UHFFFAOYSA-N -1 3 314.432 2.702 20 0 DFADHM Cc1cc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)[n-]c(=O)n1 ZINC000268614313 427068780 /nfs/dbraw/zinc/06/87/80/427068780.db2.gz BZTKOHDENZEZCG-GOSISDBHSA-N -1 3 311.385 2.685 20 0 DFADHM O=C(c1cccc([O-])c1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000182386078 427069415 /nfs/dbraw/zinc/06/94/15/427069415.db2.gz YROJNWXKMPQXFI-HIFRSBDPSA-N -1 3 307.415 2.519 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)CC(C)(C)CC(C)=O)c([O-])c1 ZINC000276445246 427071159 /nfs/dbraw/zinc/07/11/59/427071159.db2.gz IJLIPVMSKVEYGI-UHFFFAOYSA-N -1 3 321.373 2.903 20 0 DFADHM CCc1cc(C(=O)NC[C@@](C)(O)c2cccs2)ccc1[O-] ZINC000292061758 427075066 /nfs/dbraw/zinc/07/50/66/427075066.db2.gz ZJXLCZGVSHLYJF-MRXNPFEDSA-N -1 3 305.399 2.654 20 0 DFADHM COCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(C)(C)C ZINC000337987678 427076781 /nfs/dbraw/zinc/07/67/81/427076781.db2.gz SRDPUKVSHVLSGW-ZDUSSCGKSA-N -1 3 303.399 2.555 20 0 DFADHM Cc1cc2cc(CN3CCN4C(=O)[N-]C(=O)[C@H]4C3)oc2cc1C ZINC000329277965 427078201 /nfs/dbraw/zinc/07/82/01/427078201.db2.gz KZPQVNUVTVRJPU-CQSZACIVSA-N -1 3 313.357 2.626 20 0 DFADHM Cc1cccc(C(=O)N2CCC(Nc3nccs3)CC2)c1[O-] ZINC000190384075 427091211 /nfs/dbraw/zinc/09/12/11/427091211.db2.gz PMCRHAZZWZJYBU-UHFFFAOYSA-N -1 3 317.414 2.874 20 0 DFADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(F)c2)o1 ZINC000292108015 427092581 /nfs/dbraw/zinc/09/25/81/427092581.db2.gz VEBZJWQZWWKBBW-UHFFFAOYSA-N -1 3 312.366 2.553 20 0 DFADHM CC1(C)C(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)C1(C)C ZINC000329370571 427102064 /nfs/dbraw/zinc/10/20/64/427102064.db2.gz 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CCc1cc(=O)[n-]c(CN[C@H](c2ncccc2C)C(C)C)n1 ZINC000121100392 271019206 /nfs/dbraw/zinc/01/92/06/271019206.db2.gz DTURGFLSNDWWKD-INIZCTEOSA-N -1 3 300.406 2.935 20 0 DFADHM Cn1cnnc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000157031919 271064442 /nfs/dbraw/zinc/06/44/42/271064442.db2.gz RRBORWFDJYUHOE-UHFFFAOYSA-N -1 3 310.313 2.565 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)C3CCCCC3)[n-]c21 ZINC000157773882 271069629 /nfs/dbraw/zinc/06/96/29/271069629.db2.gz IDNSLEQMECATKX-UHFFFAOYSA-N -1 3 301.346 2.868 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)C3CCCCC3)nc21 ZINC000157773882 271069633 /nfs/dbraw/zinc/06/96/33/271069633.db2.gz IDNSLEQMECATKX-UHFFFAOYSA-N -1 3 301.346 2.868 20 0 DFADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1CC1 ZINC000182895918 427162692 /nfs/dbraw/zinc/16/26/92/427162692.db2.gz HRCNQTDTUALYJN-QGZVFWFLSA-N -1 3 324.380 2.532 20 0 DFADHM O=C(NCc1nc(-c2ccncc2)cs1)c1ccccc1[O-] ZINC000170692646 271099653 /nfs/dbraw/zinc/09/96/53/271099653.db2.gz MOIPXJRGQXMJLG-UHFFFAOYSA-N -1 3 311.366 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Cc1ccc([O-])c(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)n1 ZINC000369640069 428023993 /nfs/dbraw/zinc/02/39/93/428023993.db2.gz OTXVISUPHOEOMX-NSHDSACASA-N -1 3 314.389 2.686 20 0 DFADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)n1 ZINC000369640069 428023996 /nfs/dbraw/zinc/02/39/96/428023996.db2.gz OTXVISUPHOEOMX-NSHDSACASA-N -1 3 314.389 2.686 20 0 DFADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCC1(C)CC1 ZINC000359803916 428025325 /nfs/dbraw/zinc/02/53/25/428025325.db2.gz NBKAMIWTEMQBGU-UHFFFAOYSA-N -1 3 303.811 2.817 20 0 DFADHM CCc1ccc(C(=O)N2CCC[C@H]2c2noc(C)n2)c([O-])c1 ZINC000376957924 428030432 /nfs/dbraw/zinc/03/04/32/428030432.db2.gz ZAPGISJTBAZBIV-ZDUSSCGKSA-N -1 3 301.346 2.623 20 0 DFADHM C[C@@H]1CCC[C@@]1(O)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000359819403 428030833 /nfs/dbraw/zinc/03/08/33/428030833.db2.gz KWZRVRXWITYMLM-SJKOYZFVSA-N -1 3 309.381 2.521 20 0 DFADHM O=S(=O)([N-][C@H]1CC12CCCCC2)c1ccc(F)cc1F ZINC000356130427 428034907 /nfs/dbraw/zinc/03/49/07/428034907.db2.gz KZCHSLULEPQKPD-ZDUSSCGKSA-N -1 3 301.358 2.966 20 0 DFADHM CCn1cnnc1[N-]C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000356166627 428049103 /nfs/dbraw/zinc/04/91/03/428049103.db2.gz QSGPOXSPPLVFQN-SNVBAGLBSA-N -1 3 308.769 2.666 20 0 DFADHM CCCNc1ccccc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000359869560 428052377 /nfs/dbraw/zinc/05/23/77/428052377.db2.gz DFIJTPOPCZGCTJ-UHFFFAOYSA-N -1 3 314.389 2.802 20 0 DFADHM Cc1cc(C(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)ccc1[O-] ZINC000346185138 428057208 /nfs/dbraw/zinc/05/72/08/428057208.db2.gz NTPOZDNAJGQVEM-CABCVRRESA-N -1 3 317.410 2.610 20 0 DFADHM CC[C@H](C)[C@@](C)(O)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346048718 427999783 /nfs/dbraw/zinc/99/97/83/427999783.db2.gz CFEDKQHTQLBAPQ-SJCJKPOMSA-N -1 3 311.397 2.767 20 0 DFADHM CN(C[C@@H]1CCc2nccn2C1)C(=O)c1ccc(Cl)cc1[O-] ZINC000369576022 428004675 /nfs/dbraw/zinc/00/46/75/428004675.db2.gz BEQPEHHCAPCWHG-NSHDSACASA-N -1 3 319.792 2.577 20 0 DFADHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000376829701 428008118 /nfs/dbraw/zinc/00/81/18/428008118.db2.gz VJZNPSUFDQWWQG-XUOUYXDASA-N -1 3 324.380 2.651 20 0 DFADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1cccc2[nH]ccc21 ZINC000359936809 428082528 /nfs/dbraw/zinc/08/25/28/428082528.db2.gz SYCVTBKBLDQICW-UHFFFAOYSA-N -1 3 324.266 2.627 20 0 DFADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1cccc2[nH]ccc21 ZINC000359936809 428082532 /nfs/dbraw/zinc/08/25/32/428082532.db2.gz SYCVTBKBLDQICW-UHFFFAOYSA-N -1 3 324.266 2.627 20 0 DFADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc2[nH]ccc21 ZINC000359936809 428082538 /nfs/dbraw/zinc/08/25/38/428082538.db2.gz SYCVTBKBLDQICW-UHFFFAOYSA-N -1 3 324.266 2.627 20 0 DFADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000341482742 428082826 /nfs/dbraw/zinc/08/28/26/428082826.db2.gz FIBZSLMBOZGNDU-JGVFFNPUSA-N -1 3 322.199 2.523 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)[C@H]3CC=CC[C@@H]3C)[n-]c21 ZINC000341484199 428083591 /nfs/dbraw/zinc/08/35/91/428083591.db2.gz PFJKFZODXUAUQU-QWRGUYRKSA-N -1 3 313.357 2.890 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CC=CC[C@@H]3C)nc21 ZINC000341484199 428083596 /nfs/dbraw/zinc/08/35/96/428083596.db2.gz PFJKFZODXUAUQU-QWRGUYRKSA-N -1 3 313.357 2.890 20 0 DFADHM C[C@@H]1C[C@@H](CNC(=O)NCc2ccc([O-])c(F)c2)C[C@H](C)O1 ZINC000341484530 428083978 /nfs/dbraw/zinc/08/39/78/428083978.db2.gz ICAQQHAHUOSVRD-PTEHBNRSSA-N -1 3 310.369 2.534 20 0 DFADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC([C@@H]2CCOC2)CC1 ZINC000369909826 428087438 /nfs/dbraw/zinc/08/74/38/428087438.db2.gz RLQLEYQMXAVKLN-CQSZACIVSA-N -1 3 323.820 2.863 20 0 DFADHM Cc1ccc([O-])c(CN2CC[C@@H](Oc3cccc(F)c3)C2)n1 ZINC000369909280 428088392 /nfs/dbraw/zinc/08/83/92/428088392.db2.gz CBBLYSWWLLJSQJ-OAHLLOKOSA-N -1 3 302.349 2.888 20 0 DFADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@H](C2CCCCC2)C1 ZINC000359960958 428094082 /nfs/dbraw/zinc/09/40/82/428094082.db2.gz QJFZAUYYDHWDAQ-MRXNPFEDSA-N -1 3 305.374 2.519 20 0 DFADHM COC[C@H]1C[C@@H](OC)CN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356284151 428105422 /nfs/dbraw/zinc/10/54/22/428105422.db2.gz 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/nfs/dbraw/zinc/12/22/02/428122202.db2.gz FJTBUDXKVLMCKV-UHFFFAOYSA-N -1 3 312.329 2.618 20 0 DFADHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C1CC1 ZINC000341406832 428065653 /nfs/dbraw/zinc/06/56/53/428065653.db2.gz LMGXADXVOHLIRX-ZETCQYMHSA-N -1 3 322.199 2.665 20 0 DFADHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C)CC(F)F)c1 ZINC000413506400 428066609 /nfs/dbraw/zinc/06/66/09/428066609.db2.gz BBUCYNOEXDXWMF-VIFPVBQESA-N -1 3 320.361 2.596 20 0 DFADHM CO[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CC[C@H]1C ZINC000346332154 428130610 /nfs/dbraw/zinc/13/06/10/428130610.db2.gz IFKFIGYFUGIFOV-WBMJQRKESA-N -1 3 309.381 2.737 20 0 DFADHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2c(C)cccc2F)C1(C)C ZINC000356366158 428145056 /nfs/dbraw/zinc/14/50/56/428145056.db2.gz LBCMKCSKXOCQCQ-DOMZBBRYSA-N -1 3 315.410 2.616 20 0 DFADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000341666952 428148437 /nfs/dbraw/zinc/14/84/37/428148437.db2.gz QJQUCTACDWKDAS-VIFPVBQESA-N -1 3 318.320 2.772 20 0 DFADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)NCc2ncccc2[O-])C1(C)C ZINC000413855233 428155011 /nfs/dbraw/zinc/15/50/11/428155011.db2.gz NUEXOYATQIRGJD-UONOGXRCSA-N -1 3 321.421 2.569 20 0 DFADHM Cc1cccc([O-])c1NC(=O)c1ccnc(N2CCCCC2)n1 ZINC000352651324 428183654 /nfs/dbraw/zinc/18/36/54/428183654.db2.gz BSUWBVKPLUXTMN-UHFFFAOYSA-N -1 3 312.373 2.733 20 0 DFADHM CC(C)c1ccc(C(=O)N(C[C@H]2CCC(=O)N2)C(C)C)c([O-])c1 ZINC000414017642 428184811 /nfs/dbraw/zinc/18/48/11/428184811.db2.gz JJRIGCTZJCRJHT-CQSZACIVSA-N -1 3 318.417 2.645 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)[n-]c(=O)n1 ZINC000346409626 428160613 /nfs/dbraw/zinc/16/06/13/428160613.db2.gz YUNPUUBCUMLAIM-QMMMGPOBSA-N -1 3 309.728 2.774 20 0 DFADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1Cc2ccccc2C(=O)O1 ZINC000377571468 428161956 /nfs/dbraw/zinc/16/19/56/428161956.db2.gz DDIFMTCANJIKKG-CQSZACIVSA-N -1 3 317.728 2.766 20 0 DFADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCCSC)nc2)n1 ZINC000346424467 428165920 /nfs/dbraw/zinc/16/59/20/428165920.db2.gz KUMXOHBJHDITCW-UHFFFAOYSA-N -1 3 318.446 3.362 20 0 DFADHM Cc1cccc([O-])c1NC(=O)CSc1nncn1C(C)C ZINC000352651421 428185858 /nfs/dbraw/zinc/18/58/58/428185858.db2.gz CXODQRXPLGKUFH-UHFFFAOYSA-N -1 3 306.391 2.604 20 0 DFADHM CC(C)CC1(C)CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000356435293 428177340 /nfs/dbraw/zinc/17/73/40/428177340.db2.gz TYJVPYGXMSEWEX-UHFFFAOYSA-N -1 3 320.437 2.537 20 0 DFADHM CSc1cccc(NC(=O)[N-]c2nnc3ccccn32)c1C ZINC000341761834 428186146 /nfs/dbraw/zinc/18/61/46/428186146.db2.gz ISADDFSFDKXVCH-UHFFFAOYSA-N -1 3 313.386 3.404 20 0 DFADHM COCc1nocc1C(=O)[N-]c1nc(-c2ccco2)cs1 ZINC000341812044 428210981 /nfs/dbraw/zinc/21/09/81/428210981.db2.gz PGHUKZIWPQOJTF-UHFFFAOYSA-N -1 3 305.315 2.790 20 0 DFADHM Cc1cc(F)cc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000360234791 428215977 /nfs/dbraw/zinc/21/59/77/428215977.db2.gz PUTWOHZGTOBVQN-UHFFFAOYSA-N -1 3 317.246 2.593 20 0 DFADHM Cc1cc(F)cc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000360234791 428215979 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Cc1ccc(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c([O-])c1 ZINC000377792127 428227662 /nfs/dbraw/zinc/22/76/62/428227662.db2.gz WAAHXVHKJLKQQK-AWEZNQCLSA-N -1 3 313.401 2.765 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](C[C@H]3CCOC3)C2)n1 ZINC000370509813 428228117 /nfs/dbraw/zinc/22/81/17/428228117.db2.gz WASJMGMESZEDMR-RRFJBIMHSA-N -1 3 305.422 2.690 20 0 DFADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1 ZINC000360268315 428231680 /nfs/dbraw/zinc/23/16/80/428231680.db2.gz PKZAOJRJYKOUBF-UHFFFAOYSA-N -1 3 319.430 2.628 20 0 DFADHM COc1csc(C(=O)[N-]c2cc(-c3cncc(C)c3)on2)c1 ZINC000377809700 428233871 /nfs/dbraw/zinc/23/38/71/428233871.db2.gz RVDQYTMNTGLISL-UHFFFAOYSA-N -1 3 315.354 3.367 20 0 DFADHM Cn1cnc2cc(C(=O)N3CCCc4cccc([O-])c43)ccc21 ZINC000352666723 428192733 /nfs/dbraw/zinc/19/27/33/428192733.db2.gz XABLKRSBURVQMR-UHFFFAOYSA-N -1 3 307.353 2.872 20 0 DFADHM CC(C)(CF)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000360186892 428195587 /nfs/dbraw/zinc/19/55/87/428195587.db2.gz 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/nfs/dbraw/zinc/28/76/17/428287617.db2.gz VZBULPLBTSEUFH-XDTLVQLUSA-N -1 3 319.710 2.997 20 0 DFADHM O=C1[C@@H]([N-]c2nnc(C(F)F)s2)CCCN1c1ccccc1 ZINC000370747563 428289087 /nfs/dbraw/zinc/28/90/87/428289087.db2.gz OJQWSGDIUGUYJJ-JTQLQIEISA-N -1 3 324.356 3.083 20 0 DFADHM COc1ccc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)nn1 ZINC000342073952 428290587 /nfs/dbraw/zinc/29/05/87/428290587.db2.gz ZIZHCNHUFKTLQX-UHFFFAOYSA-N -1 3 313.691 2.978 20 0 DFADHM CC(=O)NC1CCC(N(C)Cc2c(F)ccc([O-])c2F)CC1 ZINC000352876445 428290863 /nfs/dbraw/zinc/29/08/63/428290863.db2.gz MXEQNNPHJXOTKO-UHFFFAOYSA-N -1 3 312.360 2.550 20 0 DFADHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000360431008 428294201 /nfs/dbraw/zinc/29/42/01/428294201.db2.gz SELPHBNGDBUQRW-UKRRQHHQSA-N -1 3 323.439 2.765 20 0 DFADHM CC[C@@H](C)CS(=O)(=O)[N-][C@H]1COc2cccc(Cl)c21 ZINC000341898103 428244635 /nfs/dbraw/zinc/24/46/35/428244635.db2.gz MWFKSEPPWWVKHW-KOLCDFICSA-N -1 3 303.811 2.739 20 0 DFADHM COC(C)(C)CS(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1 ZINC000377868211 428251854 /nfs/dbraw/zinc/25/18/54/428251854.db2.gz GLYSUZWPMBUPAT-OAHLLOKOSA-N -1 3 323.414 2.713 20 0 DFADHM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000356610355 428252629 /nfs/dbraw/zinc/25/26/29/428252629.db2.gz CAKIRUREZAFGJB-BZNIZROVSA-N -1 3 320.352 2.724 20 0 DFADHM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1cn[n-]c1-c1ccccn1 ZINC000356610355 428252634 /nfs/dbraw/zinc/25/26/34/428252634.db2.gz CAKIRUREZAFGJB-BZNIZROVSA-N -1 3 320.352 2.724 20 0 DFADHM CC(C)[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CCO1 ZINC000346650845 428255476 /nfs/dbraw/zinc/25/54/76/428255476.db2.gz YLMHHQVNXYEUMX-MRXNPFEDSA-N -1 3 309.381 2.737 20 0 DFADHM [O-]c1ccc(Br)c(CN2CCCO[C@@H](CF)C2)c1 ZINC000414477038 428311903 /nfs/dbraw/zinc/31/19/03/428311903.db2.gz LIDTYKPPAXAQAH-LBPRGKRZSA-N -1 3 318.186 2.715 20 0 DFADHM O=C(Nc1nc(-c2nccc3ccccc32)cs1)c1cnn[n-]1 ZINC000360475458 428313557 /nfs/dbraw/zinc/31/35/57/428313557.db2.gz BWXUNFNEZGMVCK-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1nc(-c2nccc3ccccc32)cs1)c1c[n-]nn1 ZINC000360475458 428313561 /nfs/dbraw/zinc/31/35/61/428313561.db2.gz BWXUNFNEZGMVCK-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM O=C(Nc1nc(-c2nccc3ccccc32)cs1)c1cn[n-]n1 ZINC000360475458 428313563 /nfs/dbraw/zinc/31/35/63/428313563.db2.gz BWXUNFNEZGMVCK-UHFFFAOYSA-N -1 3 322.353 2.729 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)C[C@@H](OCC)C(C)C)c([O-])c1 ZINC000356800631 428314113 /nfs/dbraw/zinc/31/41/13/428314113.db2.gz WUXBDEKMMCMGBN-OAHLLOKOSA-N -1 3 323.389 2.959 20 0 DFADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000360485379 428318419 /nfs/dbraw/zinc/31/84/19/428318419.db2.gz CBXFWOLPRICELW-IUCAKERBSA-N -1 3 321.240 2.557 20 0 DFADHM O=C(N[C@@H]1CCc2[nH]cnc2C1)c1cc2ccccc2cc1[O-] ZINC000370903954 428318651 /nfs/dbraw/zinc/31/86/51/428318651.db2.gz YUKYPBQLCLWHQV-CYBMUJFWSA-N -1 3 307.353 2.556 20 0 DFADHM O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cc2ccccc2cc1[O-] ZINC000370903954 428318656 /nfs/dbraw/zinc/31/86/56/428318656.db2.gz YUKYPBQLCLWHQV-CYBMUJFWSA-N -1 3 307.353 2.556 20 0 DFADHM COC(=O)Cc1occ(C)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000352943089 428321267 /nfs/dbraw/zinc/32/12/67/428321267.db2.gz PYDMFDIHJFAUIK-UHFFFAOYSA-N -1 3 323.732 2.915 20 0 DFADHM Cc1nc([C@H]2CCCN2C(=O)Cc2ccc([O-])cc2Cl)no1 ZINC000378176824 428325377 /nfs/dbraw/zinc/32/53/77/428325377.db2.gz NFBPILFEOPURAM-CYBMUJFWSA-N -1 3 321.764 2.643 20 0 DFADHM CCC1(CC)[C@H](NC(=O)c2ccc3n[n-]nc3c2)[C@@H](C)[C@H]1OC ZINC000356837991 428331841 /nfs/dbraw/zinc/33/18/41/428331841.db2.gz CGLWJOUEFRXZGR-VCTAVGKDSA-N -1 3 316.405 2.527 20 0 DFADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1(C)C ZINC000352989413 428339063 /nfs/dbraw/zinc/33/90/63/428339063.db2.gz MUHBMHUKOYWSLL-DTWKUNHWSA-N -1 3 323.867 2.802 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000356859694 428339917 /nfs/dbraw/zinc/33/99/17/428339917.db2.gz CLLGWEJHHUHLQW-BDAKNGLRSA-N -1 3 304.316 2.656 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000356859694 428339925 /nfs/dbraw/zinc/33/99/25/428339925.db2.gz CLLGWEJHHUHLQW-BDAKNGLRSA-N -1 3 304.316 2.656 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000356859694 428339930 /nfs/dbraw/zinc/33/99/30/428339930.db2.gz CLLGWEJHHUHLQW-BDAKNGLRSA-N -1 3 304.316 2.656 20 0 DFADHM Cc1cc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)[n-]c(=O)n1 ZINC000342303079 428393325 /nfs/dbraw/zinc/39/33/25/428393325.db2.gz PEAPTGWOJCDIAW-LBPRGKRZSA-N -1 3 303.749 2.561 20 0 DFADHM Cc1ccc2[n-]cc(C(=O)N3CCS[C@@H](C)[C@H]3C)c(=O)c2c1 ZINC000346984462 428394246 /nfs/dbraw/zinc/39/42/46/428394246.db2.gz IWPXGLPBVDHDBO-NEPJUHHUSA-N -1 3 316.426 2.803 20 0 DFADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1cc(F)cc(F)c1 ZINC000346982828 428394676 /nfs/dbraw/zinc/39/46/76/428394676.db2.gz XUTVWIKZKCDTDP-UHFFFAOYSA-N -1 3 319.279 2.722 20 0 DFADHM O=C([N-]c1nc2ccc(F)cn2n1)c1ccc(-c2ccccc2)o1 ZINC000342320185 428402572 /nfs/dbraw/zinc/40/25/72/428402572.db2.gz JHMHNSXYKNPSHN-UHFFFAOYSA-N -1 3 322.299 3.381 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3cccc4c3OCO4)n[n-]2)o1 ZINC000360716732 428412704 /nfs/dbraw/zinc/41/27/04/428412704.db2.gz RDEQSEJMGMQGPB-UHFFFAOYSA-N -1 3 311.297 2.959 20 0 DFADHM Cc1ccc(-c2cc(C(=O)Nc3cccc4c3OCO4)[n-]n2)o1 ZINC000360716732 428412709 /nfs/dbraw/zinc/41/27/09/428412709.db2.gz RDEQSEJMGMQGPB-UHFFFAOYSA-N -1 3 311.297 2.959 20 0 DFADHM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)[C@H]2C)nc1C ZINC000360601382 428363268 /nfs/dbraw/zinc/36/32/68/428363268.db2.gz XGYDXCLSICFOHV-BZPMIXESSA-N -1 3 313.467 2.562 20 0 DFADHM Cc1cc([N-]C(=O)[C@H](C)N2CC(Cc3ccccc3F)C2)on1 ZINC000378329049 428366665 /nfs/dbraw/zinc/36/66/65/428366665.db2.gz XOVRICLJASVKCM-LBPRGKRZSA-N -1 3 317.364 2.624 20 0 DFADHM CC(=O)N[C@]1(C(=O)Nc2ccccc2[O-])CCCc2ccccc21 ZINC000371163376 428372460 /nfs/dbraw/zinc/37/24/60/428372460.db2.gz IHKDODPYDPZRDP-LJQANCHMSA-N -1 3 324.380 2.699 20 0 DFADHM CSc1nnc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)[n-]1 ZINC000357222905 428439956 /nfs/dbraw/zinc/43/99/56/428439956.db2.gz VVXGSBCRVITBBJ-IONNQARKSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)n1 ZINC000357222905 428439960 /nfs/dbraw/zinc/43/99/60/428439960.db2.gz VVXGSBCRVITBBJ-IONNQARKSA-N -1 3 310.329 2.547 20 0 DFADHM CSc1nc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)n[n-]1 ZINC000357222905 428439964 /nfs/dbraw/zinc/43/99/64/428439964.db2.gz VVXGSBCRVITBBJ-IONNQARKSA-N -1 3 310.329 2.547 20 0 DFADHM CC[C@@](NC(=O)c1cccc([O-])c1)(C(=O)OC)c1ccccc1 ZINC000342760387 428448827 /nfs/dbraw/zinc/44/88/27/428448827.db2.gz QXLJCZVJYNHBFX-SFHVURJKSA-N -1 3 313.353 2.601 20 0 DFADHM [O-]c1ccc(C(F)(F)F)c(-c2nc([C@H]3CCOC3)no2)c1 ZINC000360817715 428451397 /nfs/dbraw/zinc/45/13/97/428451397.db2.gz DMZPCPBENUGRBR-ZETCQYMHSA-N -1 3 300.236 2.965 20 0 DFADHM [O-]c1cccc(CN(CCO)[C@@H]2CCCSC2)c1Cl ZINC000353260281 428455551 /nfs/dbraw/zinc/45/55/51/428455551.db2.gz OLANGCVWBQGSSO-GFCCVEGCSA-N -1 3 301.839 2.736 20 0 DFADHM CCc1cc(C(=O)NCc2nc3cc(F)ccc3[nH]2)ccc1[O-] ZINC000342793112 428457824 /nfs/dbraw/zinc/45/78/24/428457824.db2.gz YGXFUIODJDRDIA-UHFFFAOYSA-N -1 3 313.332 2.900 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)c2cccc(O)c2)c([O-])c1 ZINC000357257279 428458496 /nfs/dbraw/zinc/45/84/96/428458496.db2.gz QFPSEVJWJKAKRK-UHFFFAOYSA-N -1 3 301.298 2.527 20 0 DFADHM C[C@H]1C[C@H](C(=O)NCc2nnc(C(F)(F)F)[n-]2)C[C@@H](C)C1 ZINC000360839959 428458647 /nfs/dbraw/zinc/45/86/47/428458647.db2.gz ZSSLTUVPDNTRKB-BRPSZJMVSA-N -1 3 304.316 2.512 20 0 DFADHM C[C@H]1C[C@H](C(=O)NCc2n[n-]c(C(F)(F)F)n2)C[C@@H](C)C1 ZINC000360839959 428458653 /nfs/dbraw/zinc/45/86/53/428458653.db2.gz ZSSLTUVPDNTRKB-BRPSZJMVSA-N -1 3 304.316 2.512 20 0 DFADHM C[C@H]1C[C@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@@H](C)C1 ZINC000360839959 428458661 /nfs/dbraw/zinc/45/86/61/428458661.db2.gz ZSSLTUVPDNTRKB-BRPSZJMVSA-N -1 3 304.316 2.512 20 0 DFADHM COc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1C#N ZINC000387837481 428466084 /nfs/dbraw/zinc/46/60/84/428466084.db2.gz DTVXEKAVSYIFAG-UHFFFAOYSA-N -1 3 302.374 2.644 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC2(C)C)c1 ZINC000360860960 428467294 /nfs/dbraw/zinc/46/72/94/428467294.db2.gz SAYRIYBHEOZLKW-GFCCVEGCSA-N -1 3 304.390 2.907 20 0 DFADHM CC(=O)N[C@@H](CC(=O)Nc1ccc([O-])cc1F)c1cccs1 ZINC000360860641 428467315 /nfs/dbraw/zinc/46/73/15/428467315.db2.gz QUOBBRJPUQKLTK-ZDUSSCGKSA-N -1 3 322.361 2.799 20 0 DFADHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncccc1C(=O)[O-] ZINC000389806340 428468410 /nfs/dbraw/zinc/46/84/10/428468410.db2.gz CUXDDPNBCGOFRA-CZUORRHYSA-N -1 3 311.385 2.712 20 0 DFADHM Cc1ccsc1C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000360729980 428417448 /nfs/dbraw/zinc/41/74/48/428417448.db2.gz UNDJPAFNEKEXCM-UHFFFAOYSA-N -1 3 321.345 2.952 20 0 DFADHM C[C@@H]1C[C@H]1c1ccc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)o1 ZINC000372238308 428423765 /nfs/dbraw/zinc/42/37/65/428423765.db2.gz XJNYMGQUKYPJIA-PSASIEDQSA-N -1 3 316.748 3.351 20 0 DFADHM COc1cc(C)cc2c1OCC[C@H]2NC(=O)c1cccc([O-])c1 ZINC000378550817 428424582 /nfs/dbraw/zinc/42/45/82/428424582.db2.gz NDTHDWTUQYAESP-OAHLLOKOSA-N -1 3 313.353 2.963 20 0 DFADHM CCOCc1cccc(NC(=O)c2c[n-]c3ccncc3c2=O)c1 ZINC000342378424 428425704 /nfs/dbraw/zinc/42/57/04/428425704.db2.gz ZMFAFKLMENHWDK-UHFFFAOYSA-N -1 3 323.352 2.712 20 0 DFADHM Cc1noc([C@@H](NC(=O)c2cccc([O-])c2)c2ccccc2)n1 ZINC000378567661 428427517 /nfs/dbraw/zinc/42/75/17/428427517.db2.gz VJFUBPPUEJTSQO-HNNXBMFYSA-N -1 3 309.325 2.603 20 0 DFADHM COC[C@H](NCc1cccc([O-])c1Br)C1CC1 ZINC000397273852 428509707 /nfs/dbraw/zinc/50/97/07/428509707.db2.gz YHRXNTKRDGGPHD-NSHDSACASA-N -1 3 300.196 2.669 20 0 DFADHM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000357392021 428511035 /nfs/dbraw/zinc/51/10/35/428511035.db2.gz RELASUASADUZTL-PBHICJAKSA-N -1 3 318.376 2.889 20 0 DFADHM O=C(N[C@H]1C[C@H]1c1ccccc1)c1c[n-]nc1-c1ccccn1 ZINC000353380614 428511741 /nfs/dbraw/zinc/51/17/41/428511741.db2.gz ZXBIYTKUMGWBFN-BBRMVZONSA-N -1 3 304.353 2.758 20 0 DFADHM C[C@@H](NCc1cccc([O-])c1Br)c1csnn1 ZINC000398381599 428519687 /nfs/dbraw/zinc/51/96/87/428519687.db2.gz NMNQNHYTXOKZFF-SSDOTTSWSA-N -1 3 314.208 2.857 20 0 DFADHM CC(C)[C@](C)(CO)NCc1cccc([O-])c1Br ZINC000398505131 428521513 /nfs/dbraw/zinc/52/15/13/428521513.db2.gz NNHCTLCXKIONRN-ZDUSSCGKSA-N -1 3 302.212 2.651 20 0 DFADHM O=C(NCCCc1ccc2c(c1)OCCO2)c1cccc([O-])c1 ZINC000357413508 428523135 /nfs/dbraw/zinc/52/31/35/428523135.db2.gz STBFLLAPJAZILW-UHFFFAOYSA-N -1 3 313.353 2.526 20 0 DFADHM COc1cc(NC(=O)NCc2ncccc2[O-])ccc1Cl ZINC000347288226 428528264 /nfs/dbraw/zinc/52/82/64/428528264.db2.gz PZTKGFKWNCABMY-UHFFFAOYSA-N -1 3 307.737 2.771 20 0 DFADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC000390711578 428474334 /nfs/dbraw/zinc/47/43/34/428474334.db2.gz AIHKSVGAQVRYKQ-CYBMUJFWSA-N -1 3 316.376 2.782 20 0 DFADHM Cc1cccc([C@@H]2CCCCCN2Cc2nc(=O)n(C)[n-]2)c1 ZINC000347446857 428581508 /nfs/dbraw/zinc/58/15/08/428581508.db2.gz UMLCWHKPEQIKTB-HNNXBMFYSA-N -1 3 300.406 2.534 20 0 DFADHM CN(C)c1nc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)cc(=O)[n-]1 ZINC000407993426 428589781 /nfs/dbraw/zinc/58/97/81/428589781.db2.gz YELOAEQNXBIQCB-LBPRGKRZSA-N -1 3 320.437 2.537 20 0 DFADHM Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000347297803 428536104 /nfs/dbraw/zinc/53/61/04/428536104.db2.gz DQFOHGDUOYTYGV-UHFFFAOYSA-N -1 3 315.757 2.566 20 0 DFADHM Fc1cccc2[nH]c(C[N-]c3nnc(C(F)(F)F)o3)cc21 ZINC000357706347 428558528 /nfs/dbraw/zinc/55/85/28/428558528.db2.gz ILZWBPOCSWWUHQ-UHFFFAOYSA-N -1 3 300.215 3.321 20 0 DFADHM Cc1ccc([O-])c(CN2CCN(c3cccc(F)c3F)CC2)n1 ZINC000353492276 428561856 /nfs/dbraw/zinc/56/18/56/428561856.db2.gz NSMPGNXCMTVSJB-UHFFFAOYSA-N -1 3 319.355 2.696 20 0 DFADHM CC[C@@H](C)CN(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000353499110 428566580 /nfs/dbraw/zinc/56/65/80/428566580.db2.gz FHQLCIDTPXQLLI-SECBINFHSA-N -1 3 308.328 2.924 20 0 DFADHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c(F)c1 ZINC000404934544 428574436 /nfs/dbraw/zinc/57/44/36/428574436.db2.gz NKOCVQGHQXMDHV-UHFFFAOYSA-N 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/nfs/dbraw/zinc/34/82/57/429348257.db2.gz YNGYMLKHZWPXPX-LBPRGKRZSA-N -1 3 319.401 2.652 20 0 DFADHM CCOc1ccc(C=CC(=O)Nc2nnc(SC)[n-]2)cc1 ZINC000491365127 429353505 /nfs/dbraw/zinc/35/35/05/429353505.db2.gz IMJPCYHYLOQIKJ-TWGQIWQCSA-N -1 3 304.375 2.577 20 0 DFADHM CCOc1ccc(C=CC(=O)Nc2nc(SC)n[n-]2)cc1 ZINC000491365127 429353510 /nfs/dbraw/zinc/35/35/10/429353510.db2.gz IMJPCYHYLOQIKJ-TWGQIWQCSA-N -1 3 304.375 2.577 20 0 DFADHM CCOc1ccc(C=CC(=O)Nc2n[n-]c(SC)n2)cc1 ZINC000491365127 429353514 /nfs/dbraw/zinc/35/35/14/429353514.db2.gz IMJPCYHYLOQIKJ-TWGQIWQCSA-N -1 3 304.375 2.577 20 0 DFADHM CC(C)(C)Cc1cc(NC(=O)Cc2ccc([O-])cc2Cl)n[nH]1 ZINC000509109979 429355233 /nfs/dbraw/zinc/35/52/33/429355233.db2.gz KABHYQHBOHEMFP-UHFFFAOYSA-N -1 3 321.808 3.539 20 0 DFADHM COc1cc2c(c(CNCCCCCC(=O)[O-])c1)O[C@@H](C)C2 ZINC000426706694 429409720 /nfs/dbraw/zinc/40/97/20/429409720.db2.gz WEUXBSVJJBOQQI-LBPRGKRZSA-N -1 3 307.390 2.753 20 0 DFADHM CCOC(=O)Cc1cnc([N-]C(=O)c2sccc2F)s1 ZINC000456888279 429362323 /nfs/dbraw/zinc/36/23/23/429362323.db2.gz RQXUCHKMOLUCRY-UHFFFAOYSA-N -1 3 314.363 2.702 20 0 DFADHM CSc1nnc(NC(=O)C=Cc2ccc3ccccc3n2)[n-]1 ZINC000491507900 429367439 /nfs/dbraw/zinc/36/74/39/429367439.db2.gz VPEPJHMFPLVJEB-HJWRWDBZSA-N -1 3 311.370 2.727 20 0 DFADHM CSc1n[n-]c(NC(=O)C=Cc2ccc3ccccc3n2)n1 ZINC000491507900 429367444 /nfs/dbraw/zinc/36/74/44/429367444.db2.gz VPEPJHMFPLVJEB-HJWRWDBZSA-N -1 3 311.370 2.727 20 0 DFADHM CSc1nc(NC(=O)C=Cc2ccc3ccccc3n2)n[n-]1 ZINC000491507900 429367448 /nfs/dbraw/zinc/36/74/48/429367448.db2.gz VPEPJHMFPLVJEB-HJWRWDBZSA-N -1 3 311.370 2.727 20 0 DFADHM CC(C)c1nn(C)cc1-c1noc(/C=C\c2cncc([O-])c2)n1 ZINC000426197699 429372992 /nfs/dbraw/zinc/37/29/92/429372992.db2.gz DQGLHTHVRSUEFY-PLNGDYQASA-N -1 3 311.345 2.865 20 0 DFADHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccsc1 ZINC000365801114 429376328 /nfs/dbraw/zinc/37/63/28/429376328.db2.gz WPIDNCAMQVBXEG-UHFFFAOYSA-N -1 3 318.789 2.871 20 0 DFADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1nccn1-c1ccccc1 ZINC000366234297 429438859 /nfs/dbraw/zinc/43/88/59/429438859.db2.gz DQHXIADNUGCTCG-JTQLQIEISA-N -1 3 314.370 2.525 20 0 DFADHM O=C(N[C@H]1CCCC(F)(F)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000427337491 429443606 /nfs/dbraw/zinc/44/36/06/429443606.db2.gz VFKZKKJUYFGSAX-JTQLQIEISA-N -1 3 306.312 2.836 20 0 DFADHM C[C@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000366267471 429444476 /nfs/dbraw/zinc/44/44/76/429444476.db2.gz QVWSCTWSVRVWAV-TVQRCGJNSA-N -1 3 322.361 2.590 20 0 DFADHM O=C(/C=C\c1ccnc2ccccc12)NCc1ncccc1[O-] ZINC000491994790 429447567 /nfs/dbraw/zinc/44/75/67/429447567.db2.gz BTCZDUQOYIKFOB-FPLPWBNLSA-N -1 3 305.337 2.665 20 0 DFADHM C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000427695281 429465818 /nfs/dbraw/zinc/46/58/18/429465818.db2.gz LNJBRHDQZNXREW-GFCCVEGCSA-N -1 3 322.364 2.595 20 0 DFADHM Cc1ccc(Cl)c(NC(=O)CNC(=O)c2cccc([O-])c2)c1 ZINC000427751142 429469650 /nfs/dbraw/zinc/46/96/50/429469650.db2.gz AOHFXLHQLLCOBQ-UHFFFAOYSA-N -1 3 318.760 2.723 20 0 DFADHM Cc1cnn(C[C@H](NCc2ccc(C(C)(C)C)cc2)C(=O)[O-])c1 ZINC000426754168 429413094 /nfs/dbraw/zinc/41/30/94/429413094.db2.gz OEGOMNOIFSEPGM-INIZCTEOSA-N -1 3 315.417 2.732 20 0 DFADHM CCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)c1 ZINC000426781472 429414684 /nfs/dbraw/zinc/41/46/84/429414684.db2.gz AHRCGKVDKUQGJF-MRXNPFEDSA-N -1 3 301.342 2.706 20 0 DFADHM O=C([O-])[C@H](NCc1cc2ccc(F)cc2[nH]1)c1ccc(O)cc1 ZINC000426781735 429415092 /nfs/dbraw/zinc/41/50/92/429415092.db2.gz DEMNYROETIHZBS-MRXNPFEDSA-N -1 3 314.316 2.928 20 0 DFADHM COc1cc(F)c(F)cc1NC(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000426842513 429421306 /nfs/dbraw/zinc/42/13/06/429421306.db2.gz ZLAIYIIDVSQUHE-UHFFFAOYSA-N -1 3 321.205 2.968 20 0 DFADHM COc1cc(F)c(F)cc1NC(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000426842513 429421310 /nfs/dbraw/zinc/42/13/10/429421310.db2.gz ZLAIYIIDVSQUHE-UHFFFAOYSA-N -1 3 321.205 2.968 20 0 DFADHM CCOc1cc(/C=C\C(=O)[N-]O[C@H]2CCCCO2)ccc1OC ZINC000491861437 429421821 /nfs/dbraw/zinc/42/18/21/429421821.db2.gz ASVUXFKGXOGMLL-PXAMLJHWSA-N -1 3 321.373 2.682 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000427135232 429433199 /nfs/dbraw/zinc/43/31/99/429433199.db2.gz IHEYBDKKYBSWMU-UHFFFAOYSA-N -1 3 317.345 2.626 20 0 DFADHM CCSc1ccc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc1 ZINC000427148987 429435709 /nfs/dbraw/zinc/43/57/09/429435709.db2.gz BOWNJEJXFYBFLT-UHFFFAOYSA-N -1 3 305.359 2.561 20 0 DFADHM CN(Cc1ccc(Cl)nc1)C(=O)/C=C\c1cncc([O-])c1 ZINC000492395845 429528168 /nfs/dbraw/zinc/52/81/68/429528168.db2.gz HOVZXTGHLINDKA-HYXAFXHYSA-N -1 3 303.749 2.507 20 0 DFADHM COc1ccc(F)cc1[C@@H](C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492401260 429528898 /nfs/dbraw/zinc/52/88/98/429528898.db2.gz UIIKLZUTYRXIBP-ZTYXWKCZSA-N -1 3 316.332 2.826 20 0 DFADHM C[C@H](NC(=O)/C=C\c1cncc([O-])c1)c1cccc(F)c1F ZINC000492402096 429529321 /nfs/dbraw/zinc/52/93/21/429529321.db2.gz AGCBWFBEKDZECS-OMMCCPJFSA-N -1 3 304.296 2.956 20 0 DFADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC[C@H]2OCC[C@H]21 ZINC000366546873 429474439 /nfs/dbraw/zinc/47/44/39/429474439.db2.gz QFIJKKIJHHZLTL-CHWSQXEVSA-N -1 3 315.291 2.805 20 0 DFADHM COC[C@H](Cc1ccccc1)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000519646018 429476520 /nfs/dbraw/zinc/47/65/20/429476520.db2.gz REJKNBOJXDSVPH-HNNXBMFYSA-N -1 3 317.385 2.976 20 0 DFADHM COc1cc(C)cc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1C ZINC000428058246 429486739 /nfs/dbraw/zinc/48/67/39/429486739.db2.gz FQYWJTQJGMKHPG-UHFFFAOYSA-N -1 3 315.373 2.606 20 0 DFADHM C[C@@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C(=O)[O-] ZINC000519770405 429486872 /nfs/dbraw/zinc/48/68/72/429486872.db2.gz KUGKTRADFARGAU-WBMJQRKESA-N -1 3 317.364 2.554 20 0 DFADHM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CCCCC(=O)[O-] ZINC000519772566 429487393 /nfs/dbraw/zinc/48/73/93/429487393.db2.gz LFOIFHNHOPSCPJ-GJZGRUSLSA-N -1 3 311.422 2.685 20 0 DFADHM Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000428074602 429488420 /nfs/dbraw/zinc/48/84/20/429488420.db2.gz ZZAJMWOABXWFOH-UHFFFAOYSA-N -1 3 324.369 2.672 20 0 DFADHM Cc1nn(C)c(Cl)c1/C=C\C(=O)Nc1ccc([O-])cc1F ZINC000492407054 429530428 /nfs/dbraw/zinc/53/04/28/429530428.db2.gz IULLIKNUMNBOHQ-XQRVVYSFSA-N -1 3 309.728 2.879 20 0 DFADHM C/C=C(/C=C/C(=O)NCCCNC(=O)c1cccc([O-])c1)CC ZINC000492234926 429493186 /nfs/dbraw/zinc/49/31/86/429493186.db2.gz YHAFYMRPVMCTSD-KMSCECPDSA-N -1 3 316.401 2.541 20 0 DFADHM Fc1ccc(C[N-]c2nnc(C(F)(F)F)o2)c2ncccc12 ZINC000428320754 429509916 /nfs/dbraw/zinc/50/99/16/429509916.db2.gz VVEOOWBIFDMXCW-UHFFFAOYSA-N -1 3 312.226 3.388 20 0 DFADHM CC1(C)CCCC[C@@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000330941247 275811803 /nfs/dbraw/zinc/81/18/03/275811803.db2.gz FPWDPURCMWJRGJ-AWEZNQCLSA-N -1 3 324.446 2.757 20 0 DFADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@@H](c2ccccc2C)C1 ZINC000366827778 429521652 /nfs/dbraw/zinc/52/16/52/429521652.db2.gz WTDFVSULMPTDIP-HDJSIYSDSA-N -1 3 320.414 2.824 20 0 DFADHM CO[C@H]1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)C1 ZINC000449845164 429522613 /nfs/dbraw/zinc/52/26/13/429522613.db2.gz YYUNNNOUWQNAAW-QWRGUYRKSA-N -1 3 318.352 2.755 20 0 DFADHM CCOc1nc2ccc(C(=O)Nc3c(C)noc3C)cc2[n-]1 ZINC000449843978 429523007 /nfs/dbraw/zinc/52/30/07/429523007.db2.gz TZPIYAOVOMKZEZ-UHFFFAOYSA-N -1 3 300.318 2.819 20 0 DFADHM CCOc1nc2cc(C(=O)Nc3c(C)noc3C)ccc2[n-]1 ZINC000449843978 429523011 /nfs/dbraw/zinc/52/30/11/429523011.db2.gz TZPIYAOVOMKZEZ-UHFFFAOYSA-N -1 3 300.318 2.819 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000492521463 429555365 /nfs/dbraw/zinc/55/53/65/429555365.db2.gz PSAVLXPVSKWNEP-JJEJIETFSA-N -1 3 323.396 2.904 20 0 DFADHM Cc1ccccc1O[C@@H](C)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492519290 429555776 /nfs/dbraw/zinc/55/57/76/429555776.db2.gz JLJCOCMAWJYZCD-DANTVBBOSA-N -1 3 312.369 2.693 20 0 DFADHM CC(C)(C)c1nc(CNC(=O)c2cc3ccccc3cc2[O-])n[nH]1 ZINC000458017857 429565753 /nfs/dbraw/zinc/56/57/53/429565753.db2.gz GLKJLOKJPIBAJZ-UHFFFAOYSA-N -1 3 324.384 2.891 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@H](c2cccs2)C1 ZINC000450129796 429570869 /nfs/dbraw/zinc/57/08/69/429570869.db2.gz KTVGDNVJUKDRLD-AWEZNQCLSA-N -1 3 321.373 2.735 20 0 DFADHM COCC1(CCNC(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000522005754 429575186 /nfs/dbraw/zinc/57/51/86/429575186.db2.gz RNWRZCRODVSADJ-UHFFFAOYSA-N -1 3 317.307 2.958 20 0 DFADHM COc1ccnc(CN(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000522007254 429575868 /nfs/dbraw/zinc/57/58/68/429575868.db2.gz BILXECAECOQCJI-UHFFFAOYSA-N -1 3 314.385 2.957 20 0 DFADHM CC[C@H](C)Oc1ccc(C(=O)Nc2nc[n-]c2C(=O)OC)cc1 ZINC000522011311 429576611 /nfs/dbraw/zinc/57/66/11/429576611.db2.gz KZTTWADMGRNWIO-JTQLQIEISA-N -1 3 317.345 2.626 20 0 DFADHM CC[C@H](C)Oc1ccc(C(=O)Nc2[n-]cnc2C(=O)OC)cc1 ZINC000522011311 429576617 /nfs/dbraw/zinc/57/66/17/429576617.db2.gz KZTTWADMGRNWIO-JTQLQIEISA-N -1 3 317.345 2.626 20 0 DFADHM Cc1ccc([C@H]2COCCN2C(=O)Cc2ccc([O-])c(F)c2)o1 ZINC000449887549 429533200 /nfs/dbraw/zinc/53/32/00/429533200.db2.gz ZVZPUEKRHMPYKC-CQSZACIVSA-N -1 3 319.332 2.575 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(C2CCCC2)[nH]n1 ZINC000449892791 429533633 /nfs/dbraw/zinc/53/36/33/429533633.db2.gz QRRLCVDBGCQLKZ-UHFFFAOYSA-N -1 3 303.337 3.093 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000457875093 429543519 /nfs/dbraw/zinc/54/35/19/429543519.db2.gz KJKBRGUYCSHKLI-WAAGHKOSSA-N -1 3 303.280 2.708 20 0 DFADHM O=c1[n-]nc(CN2CC[C@](F)(c3cccc(Cl)c3)C2)s1 ZINC000366960104 429547064 /nfs/dbraw/zinc/54/70/64/429547064.db2.gz GHROINUAEVIASQ-CYBMUJFWSA-N -1 3 313.785 2.968 20 0 DFADHM CC1(C)CN(C(=O)/C=C/c2cncc([O-])c2)[C@@H]1c1cccnc1 ZINC000492787408 429615430 /nfs/dbraw/zinc/61/54/30/429615430.db2.gz BXPVQFSXSHUKMP-FUTAKVPZSA-N -1 3 309.369 2.805 20 0 DFADHM CCOc1nc2cc(C(=O)NC[C@@H]3CCC[C@@H]3OC)ccc2[n-]1 ZINC000450404340 429617726 /nfs/dbraw/zinc/61/77/26/429617726.db2.gz DYQBBIZCTSVKON-WFASDCNBSA-N -1 3 317.389 2.507 20 0 DFADHM CCOc1nc2ccc(C(=O)NC[C@@H]3CCC[C@@H]3OC)cc2[n-]1 ZINC000450404340 429617728 /nfs/dbraw/zinc/61/77/28/429617728.db2.gz DYQBBIZCTSVKON-WFASDCNBSA-N -1 3 317.389 2.507 20 0 DFADHM CCC[C@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000524518225 429625474 /nfs/dbraw/zinc/62/54/74/429625474.db2.gz MXVSJIJWZLVOSN-DZGCQCFKSA-N -1 3 305.422 2.817 20 0 DFADHM C[C@@H]1CC(CCNC(=O)/C=C\c2cncc([O-])c2)C[C@@H](C)O1 ZINC000492892614 429639679 /nfs/dbraw/zinc/63/96/79/429639679.db2.gz FJCAJIDWPVZCHT-FGTRRKKMSA-N -1 3 304.390 2.510 20 0 DFADHM C[C@H](O)C[C@H](C)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450541750 429642954 /nfs/dbraw/zinc/64/29/54/429642954.db2.gz SWQGVFHTNOQHEU-STQMWFEESA-N -1 3 301.386 2.754 20 0 DFADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)CCO1 ZINC000450308974 429595310 /nfs/dbraw/zinc/59/53/10/429595310.db2.gz PSONOMKIPSRAAI-DOMZBBRYSA-N -1 3 309.381 2.784 20 0 DFADHM O=C(/C=C\c1cncc([O-])c1)N1Cc2ccccc2C2(CC2)C1 ZINC000492731423 429602602 /nfs/dbraw/zinc/60/26/02/429602602.db2.gz DQWSROSKAFSILB-WAYWQWQTSA-N -1 3 306.365 2.874 20 0 DFADHM O=C(CCc1nc2ccccc2o1)NCc1ccc([O-])c(F)c1 ZINC000523424836 429604867 /nfs/dbraw/zinc/60/48/67/429604867.db2.gz 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/nfs/dbraw/zinc/68/18/39/429681839.db2.gz LACKNHCWYKAKEP-UHFFFAOYSA-N -1 3 310.357 2.545 20 0 DFADHM CC(C)(CNC(=O)c1cccc2n[n-]nc21)Oc1ccccc1 ZINC000525867082 429681843 /nfs/dbraw/zinc/68/18/43/429681843.db2.gz LACKNHCWYKAKEP-UHFFFAOYSA-N -1 3 310.357 2.545 20 0 DFADHM C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1c(F)cccc1F ZINC000525866645 429683297 /nfs/dbraw/zinc/68/32/97/429683297.db2.gz TYCPPOIVISNJOC-MRVPVSSYSA-N -1 3 302.284 2.727 20 0 DFADHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1c(F)cccc1F ZINC000525866645 429683301 /nfs/dbraw/zinc/68/33/01/429683301.db2.gz TYCPPOIVISNJOC-MRVPVSSYSA-N -1 3 302.284 2.727 20 0 DFADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1c(F)cccc1F ZINC000525866645 429683305 /nfs/dbraw/zinc/68/33/05/429683305.db2.gz TYCPPOIVISNJOC-MRVPVSSYSA-N -1 3 302.284 2.727 20 0 DFADHM CSCc1ccc(CNC(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000493102957 429689476 /nfs/dbraw/zinc/68/94/76/429689476.db2.gz GELGFQRPYOHPFB-VOTSOKGWSA-N -1 3 314.410 2.980 20 0 DFADHM CN(C(=O)/C=C\c1cncc([O-])c1)C1CC(OC(C)(C)C)C1 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CCOc1ccc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1OC ZINC000580647081 430142883 /nfs/dbraw/zinc/14/28/83/430142883.db2.gz NHROILTYZGLYDT-JSGCOSHPSA-N -1 3 307.390 2.637 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1[O-] ZINC000580701072 430145588 /nfs/dbraw/zinc/14/55/88/430145588.db2.gz GRAAMJBKKDSNQN-HZPDHXFCSA-N -1 3 317.385 2.624 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1[O-] ZINC000580701070 430145776 /nfs/dbraw/zinc/14/57/76/430145776.db2.gz GRAAMJBKKDSNQN-HOTGVXAUSA-N -1 3 317.385 2.624 20 0 DFADHM Cc1nocc1[N-]C(=O)c1cccnc1OCC(F)(F)F ZINC000640487656 430183739 /nfs/dbraw/zinc/18/37/39/430183739.db2.gz DMRUCTIJOSZURJ-UHFFFAOYSA-N -1 3 301.224 2.571 20 0 DFADHM CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000581375824 430202679 /nfs/dbraw/zinc/20/26/79/430202679.db2.gz WGODMEZVSPRYHP-OLZOCXBDSA-N -1 3 317.307 2.769 20 0 DFADHM COc1cccc(-c2nc(CN3C[C@@H](C)[C@H](C(=O)[O-])C3)co2)c1 ZINC000635018596 430197405 /nfs/dbraw/zinc/19/74/05/430197405.db2.gz OWNKGTIIGQIOOA-IAQYHMDHSA-N -1 3 316.357 2.503 20 0 DFADHM C[C@@H](c1ccc(F)cc1F)N1CCN([C@@H](C(=O)[O-])C2CC2)CC1 ZINC000635014893 430197506 /nfs/dbraw/zinc/19/75/06/430197506.db2.gz BBXAKJLOFHQQFC-MEDUHNTESA-N -1 3 324.371 2.507 20 0 DFADHM CC(C)(C)c1ncsc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000176630630 277278035 /nfs/dbraw/zinc/27/80/35/277278035.db2.gz ULGLCPIRLZLOIS-UHFFFAOYSA-N -1 3 319.312 2.830 20 0 DFADHM CC(C)(C)c1ncsc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000176630630 277278036 /nfs/dbraw/zinc/27/80/36/277278036.db2.gz ULGLCPIRLZLOIS-UHFFFAOYSA-N -1 3 319.312 2.830 20 0 DFADHM O=C([O-])c1ccccc1OCCN1CCOC[C@@H](C2CCC2)C1 ZINC000581435027 430207008 /nfs/dbraw/zinc/20/70/08/430207008.db2.gz XSGIIMDXYDGJBM-HNNXBMFYSA-N -1 3 319.401 2.512 20 0 DFADHM O=S(=O)([N-]C1(C2CC2)CC1)c1ccccc1C(F)(F)F ZINC000565456151 430212211 /nfs/dbraw/zinc/21/22/11/430212211.db2.gz JGOHXMGAWWQNLT-UHFFFAOYSA-N -1 3 305.321 2.926 20 0 DFADHM Cc1ccccc1C[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000581557422 430218836 /nfs/dbraw/zinc/21/88/36/430218836.db2.gz KPHIVQAYBSBMJM-GFCCVEGCSA-N -1 3 311.385 2.729 20 0 DFADHM CCCOc1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1 ZINC000542782124 430223008 /nfs/dbraw/zinc/22/30/08/430223008.db2.gz VGYQIKMZZJUPBG-UHFFFAOYSA-N -1 3 301.394 2.548 20 0 DFADHM CCCOc1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1 ZINC000542782124 430223011 /nfs/dbraw/zinc/22/30/11/430223011.db2.gz VGYQIKMZZJUPBG-UHFFFAOYSA-N -1 3 301.394 2.548 20 0 DFADHM Cc1ncc(CNC(=O)c2cc3sccc3s2)c(=O)[n-]1 ZINC000543314230 430242870 /nfs/dbraw/zinc/24/28/70/430242870.db2.gz ATUAIROLTVNLTN-UHFFFAOYSA-N -1 3 305.384 2.697 20 0 DFADHM COc1ccc([C@@H](NCc2cc(C(=O)[O-])nn2C)C(C)C)cc1 ZINC000635303542 430249826 /nfs/dbraw/zinc/24/98/26/430249826.db2.gz LFCOBTXWSJYWIG-INIZCTEOSA-N -1 3 317.389 2.614 20 0 DFADHM Cn1nc(C(=O)[O-])cc1CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000635306396 430250701 /nfs/dbraw/zinc/25/07/01/430250701.db2.gz RPFOCSCSBALCPK-INIZCTEOSA-N -1 3 317.364 2.888 20 0 DFADHM CCc1cccc(C(=O)N2CCC3(CCOCC3)[C@H]2C)c1[O-] ZINC000543628677 430256032 /nfs/dbraw/zinc/25/60/32/430256032.db2.gz VROMULXWAHCBRH-CYBMUJFWSA-N -1 3 303.402 2.986 20 0 DFADHM Cc1ccc2oc(C(=O)[N-]c3nnc(C4CC4)s3)cc2n1 ZINC000582050036 430263758 /nfs/dbraw/zinc/26/37/58/430263758.db2.gz SMZCYSSKGQFKQC-UHFFFAOYSA-N -1 3 300.343 3.117 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000582129970 430270640 /nfs/dbraw/zinc/27/06/40/430270640.db2.gz LGDSWFMWYSKJDV-VIFPVBQESA-N -1 3 321.764 2.667 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000582129970 430270642 /nfs/dbraw/zinc/27/06/42/430270642.db2.gz LGDSWFMWYSKJDV-VIFPVBQESA-N -1 3 321.764 2.667 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000582129969 430271294 /nfs/dbraw/zinc/27/12/94/430271294.db2.gz LGDSWFMWYSKJDV-SECBINFHSA-N -1 3 321.764 2.667 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000582129969 430271297 /nfs/dbraw/zinc/27/12/97/430271297.db2.gz LGDSWFMWYSKJDV-SECBINFHSA-N -1 3 321.764 2.667 20 0 DFADHM Cc1cc([N-]C(=O)Cn2cc(C3CCCCCC3)nn2)on1 ZINC000640898560 430277291 /nfs/dbraw/zinc/27/72/91/430277291.db2.gz IWEHQYAJNSVIHF-UHFFFAOYSA-N -1 3 303.366 2.651 20 0 DFADHM O=C(Nc1nc2ccc(F)cc2[nH]1)c1c(F)ccc([O-])c1F ZINC000581634806 430226330 /nfs/dbraw/zinc/22/63/30/430226330.db2.gz GHGFDUHWMYAZAG-UHFFFAOYSA-N -1 3 307.231 2.938 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n[n-]1 ZINC000542834378 430228261 /nfs/dbraw/zinc/22/82/61/430228261.db2.gz GDCFPNYSOFSSCS-YNEHKIRRSA-N -1 3 319.405 3.131 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[n-]n1 ZINC000542834378 430228264 /nfs/dbraw/zinc/22/82/64/430228264.db2.gz GDCFPNYSOFSSCS-YNEHKIRRSA-N -1 3 319.405 3.131 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n[n-]1 ZINC000542834376 430229446 /nfs/dbraw/zinc/22/94/46/430229446.db2.gz GDCFPNYSOFSSCS-RWMBFGLXSA-N -1 3 319.405 3.131 20 0 DFADHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)[n-]n1 ZINC000542834376 430229449 /nfs/dbraw/zinc/22/94/49/430229449.db2.gz GDCFPNYSOFSSCS-RWMBFGLXSA-N -1 3 319.405 3.131 20 0 DFADHM O=C([O-])[C@@H]1c2ccccc2CCN1CCOCC1CCCC1 ZINC000581731957 430235540 /nfs/dbraw/zinc/23/55/40/430235540.db2.gz XOXQMGDRKDPDFS-KRWDZBQOSA-N -1 3 303.402 2.877 20 0 DFADHM COC(=O)c1[n-]cnc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000582289533 430285935 /nfs/dbraw/zinc/28/59/35/430285935.db2.gz RNFRAFBFOWCIOW-QMMMGPOBSA-N -1 3 319.386 2.635 20 0 DFADHM COC(=O)c1nc[n-]c1NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000582289533 430285941 /nfs/dbraw/zinc/28/59/41/430285941.db2.gz RNFRAFBFOWCIOW-QMMMGPOBSA-N -1 3 319.386 2.635 20 0 DFADHM CC(C)C[C@@H](C(=O)[O-])N1CCN(c2cc(F)ccc2F)CC1 ZINC000568061386 430311752 /nfs/dbraw/zinc/31/17/52/430311752.db2.gz DTDZJRWBCGZYLC-HNNXBMFYSA-N -1 3 312.360 2.586 20 0 DFADHM COc1ccccc1[C@H]1CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000568067574 430312334 /nfs/dbraw/zinc/31/23/34/430312334.db2.gz ZTPIEERFNNQIMR-AWEZNQCLSA-N -1 3 312.369 2.778 20 0 DFADHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cncc(F)c2)C1 ZINC000545352314 430316425 /nfs/dbraw/zinc/31/64/25/430316425.db2.gz AKXZKFHGTONVEX-MQMHXKEQSA-N -1 3 320.389 2.754 20 0 DFADHM CCc1cccc2c1OCC[C@H]2NC(=O)Cc1cncc([O-])c1 ZINC000568107439 430318489 /nfs/dbraw/zinc/31/84/89/430318489.db2.gz MUKVUGKBXUSSBW-MRXNPFEDSA-N -1 3 312.369 2.532 20 0 DFADHM CC(C)(C)[C@H](O)Cc1cn(Cc2cc([O-])ccc2Cl)nn1 ZINC000641071501 430319929 /nfs/dbraw/zinc/31/99/29/430319929.db2.gz HBIHLHKNFYABHH-CQSZACIVSA-N -1 3 309.797 2.635 20 0 DFADHM N=c1nc(N2CCC[C@@H]2CCCc2ccccc2)nc2[nH][n-]cc1-2 ZINC000545474441 430321954 /nfs/dbraw/zinc/32/19/54/430321954.db2.gz BNZMJSLXNRCCQV-AWEZNQCLSA-N -1 3 322.416 2.709 20 0 DFADHM CC(C)(C)c1cccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1 ZINC000582794069 430334712 /nfs/dbraw/zinc/33/47/12/430334712.db2.gz BALKWFZZDIBERZ-UHFFFAOYSA-N -1 3 311.385 2.678 20 0 DFADHM CCOc1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)cc1OC ZINC000568367397 430351379 /nfs/dbraw/zinc/35/13/79/430351379.db2.gz IHSCLMTXQSEEAN-ZDUSSCGKSA-N -1 3 307.390 2.781 20 0 DFADHM O=C([O-])c1cccc2c1CCN(CCCCCn1cccn1)C2 ZINC000568289269 430343857 /nfs/dbraw/zinc/34/38/57/430343857.db2.gz XAGFYAZDWYQJCU-UHFFFAOYSA-N -1 3 313.401 2.810 20 0 DFADHM CCC[C@@H](C)S(=O)(=O)[N-]c1cnc(-c2cccc(O)c2)nc1 ZINC000568277178 430344208 /nfs/dbraw/zinc/34/42/08/430344208.db2.gz PSOBVSQLAYSTQM-LLVKDONJSA-N -1 3 321.402 2.780 20 0 DFADHM CO[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000582909853 430346887 /nfs/dbraw/zinc/34/68/87/430346887.db2.gz XZIPZBVQCRYBLR-ZWNOBZJWSA-N -1 3 317.307 2.942 20 0 DFADHM Cc1ccccc1-n1nccc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000583612133 430412198 /nfs/dbraw/zinc/41/21/98/430412198.db2.gz BBHGESZCOIPHOG-OAHLLOKOSA-N -1 3 313.401 2.867 20 0 DFADHM COc1cccc2c1CCN(Cc1occc1C(=O)[O-])CC2 ZINC000569009917 430415890 /nfs/dbraw/zinc/41/58/90/430415890.db2.gz CFHOQEXZKSTQNN-UHFFFAOYSA-N -1 3 301.342 2.587 20 0 DFADHM CCc1cccc2c1N(C(=O)c1cc(=O)[n-]c(C3CC3)n1)CC2 ZINC000568408824 430356427 /nfs/dbraw/zinc/35/64/27/430356427.db2.gz ZVTGWGLOGVRNQU-UHFFFAOYSA-N -1 3 309.369 2.825 20 0 DFADHM COCC1(C(=O)[O-])CCN(Cc2cc3ccccc3o2)CC1 ZINC000568402735 430356491 /nfs/dbraw/zinc/35/64/91/430356491.db2.gz TXZRDQHBCOPBQF-UHFFFAOYSA-N -1 3 303.358 2.746 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@]12CCOC2 ZINC000546601278 430357832 /nfs/dbraw/zinc/35/78/32/430357832.db2.gz HKFLMXHPDIJXAO-ZANVPECISA-N -1 3 312.163 2.520 20 0 DFADHM Cc1ncc(CNC(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)c(=O)[n-]1 ZINC000546715732 430366396 /nfs/dbraw/zinc/36/63/96/430366396.db2.gz IWJDZNXSYAQCMQ-HIFRSBDPSA-N -1 3 320.437 2.895 20 0 DFADHM CCCCN(C)S(=O)(=O)[N-]c1ccc(OC)c2cccnc12 ZINC000546726819 430368406 /nfs/dbraw/zinc/36/84/06/430368406.db2.gz BNLSNKUECFCUKK-UHFFFAOYSA-N -1 3 323.418 2.632 20 0 DFADHM COC(=O)CCC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000568611699 430375021 /nfs/dbraw/zinc/37/50/21/430375021.db2.gz SPGIWGXQPSRPRH-UHFFFAOYSA-N -1 3 313.344 2.836 20 0 DFADHM CN1CCCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000635838904 430389760 /nfs/dbraw/zinc/38/97/60/430389760.db2.gz VLSITHVFIOWXIW-NSHDSACASA-N -1 3 318.295 2.714 20 0 DFADHM CN(C(=O)c1cccc(C(F)(F)F)c1[O-])[C@H]1CCCN(C)C1 ZINC000568763506 430389884 /nfs/dbraw/zinc/38/98/84/430389884.db2.gz AARAHWNCDVQHKT-JTQLQIEISA-N -1 3 316.323 2.577 20 0 DFADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2cccc(C(F)F)c2)C1 ZINC000568758767 430389931 /nfs/dbraw/zinc/38/99/31/430389931.db2.gz QVXQYSMIPGXQPC-MRXNPFEDSA-N -1 3 313.344 2.937 20 0 DFADHM Cc1noc([C@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)n1 ZINC000583386939 430390680 /nfs/dbraw/zinc/39/06/80/430390680.db2.gz SMHORNCNCQGWEH-JTQLQIEISA-N -1 3 307.375 2.517 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCO[C@@H]2c2ccncc2)c1 ZINC000568830091 430394545 /nfs/dbraw/zinc/39/45/45/430394545.db2.gz LJUCKDJUTKJZKZ-DOTOQJQBSA-N -1 3 312.369 2.610 20 0 DFADHM CCc1cc(C(=O)NCCc2cnc(C3CC3)nc2)ccc1[O-] ZINC000568825717 430395210 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CCOC(=O)[C@H](NC(=O)c1cccc(C)c1[O-])c1ccccc1 ZINC000436686040 297025420 /nfs/dbraw/zinc/02/54/20/297025420.db2.gz FLILNRIBYPZTIC-OAHLLOKOSA-N -1 3 313.353 2.735 20 0 DFADHM CCOC(=O)CN(C(=O)c1ccc([O-])c(CC)c1)C1CCCC1 ZINC000436704820 297026681 /nfs/dbraw/zinc/02/66/81/297026681.db2.gz NFXZEDGJTATDDN-UHFFFAOYSA-N -1 3 319.401 2.903 20 0 DFADHM CCOC(=O)[C@H](NC(=O)c1ccc([O-])c(CC)c1)[C@@H](C)CC ZINC000436708592 297026746 /nfs/dbraw/zinc/02/67/46/297026746.db2.gz YCJQJWFPEXSVLN-XHDPSFHLSA-N -1 3 307.390 2.662 20 0 DFADHM Cc1ccc(C(=O)N[C@@H](CO)c2cccc(F)c2)c([O-])c1C ZINC000436707568 297026796 /nfs/dbraw/zinc/02/67/96/297026796.db2.gz XTADIYBIBDNKHQ-HNNXBMFYSA-N -1 3 303.333 2.612 20 0 DFADHM CCc1nc(NC(=O)c2cc(C)ccc2[O-])sc1C(=O)OC ZINC000436705778 297026807 /nfs/dbraw/zinc/02/68/07/297026807.db2.gz OCLMXLYCIQUNPO-UHFFFAOYSA-N -1 3 320.370 2.758 20 0 DFADHM CC(C)(CO)C(C)(C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436711529 297027411 /nfs/dbraw/zinc/02/74/11/297027411.db2.gz JBCXLRXMKMBHFU-UHFFFAOYSA-N -1 3 305.418 2.798 20 0 DFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCN2CCCC[C@@H]2C1 ZINC000436713060 297027415 /nfs/dbraw/zinc/02/74/15/297027415.db2.gz AAVUFVHMDIUTLL-MRXNPFEDSA-N -1 3 314.429 2.581 20 0 DFADHM CC(C)[C@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCN1C ZINC000436729957 297029656 /nfs/dbraw/zinc/02/96/56/297029656.db2.gz URZKOYKUDWSICU-QGZVFWFLSA-N -1 3 316.445 2.683 20 0 DFADHM CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccccc1[O-])C(=O)N2 ZINC000436740391 297030325 /nfs/dbraw/zinc/03/03/25/297030325.db2.gz RTGOHYBJETUMES-CYBMUJFWSA-N -1 3 324.380 2.810 20 0 DFADHM CCc1ccc(C(=O)N[C@@H](C)c2ccnc(OC)c2)c([O-])c1 ZINC000436741275 297030330 /nfs/dbraw/zinc/03/03/30/297030330.db2.gz RXDHSRCBIOGSSD-NSHDSACASA-N -1 3 300.358 2.849 20 0 DFADHM C[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])N1CCC[C@@H](C)C1 ZINC000436763478 297032528 /nfs/dbraw/zinc/03/25/28/297032528.db2.gz GVTFCVVVOIVWPY-NEPJUHHUSA-N -1 3 310.825 2.896 20 0 DFADHM C[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])N1CCC[C@@H](C)C1 ZINC000436764227 297032912 /nfs/dbraw/zinc/03/29/12/297032912.db2.gz KNOJEXKOAHUSPI-NEPJUHHUSA-N -1 3 310.825 2.896 20 0 DFADHM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H](C)CN1C ZINC000436773229 297033356 /nfs/dbraw/zinc/03/33/56/297033356.db2.gz QHSXXGFAUOZFOO-NXEZZACHSA-N -1 3 316.323 2.576 20 0 DFADHM C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H](C)C1 ZINC000436792104 297034260 /nfs/dbraw/zinc/03/42/60/297034260.db2.gz MFKMPGHXXODUQB-SLEUVZQESA-N -1 3 322.836 2.848 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@@H]2C)c1 ZINC000436790861 297034411 /nfs/dbraw/zinc/03/44/11/297034411.db2.gz PWWFHPNENVKYJV-LBPRGKRZSA-N -1 3 324.380 2.938 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000436786636 297034474 /nfs/dbraw/zinc/03/44/74/297034474.db2.gz DZAGZDSGMNOSHJ-YABSGUDNSA-N -1 3 304.390 2.905 20 0 DFADHM Cc1ccc(C(=O)NC[C@](C)(CO)c2ccccc2)c([O-])c1C ZINC000436789293 297034564 /nfs/dbraw/zinc/03/45/64/297034564.db2.gz BGGDQGJNBGPVMU-LJQANCHMSA-N -1 3 313.397 2.689 20 0 DFADHM C[C@H](O)C[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436803356 297035378 /nfs/dbraw/zinc/03/53/78/297035378.db2.gz OOZGLKHUIVMUTR-KBPBESRZSA-N -1 3 313.397 2.872 20 0 DFADHM O=C(c1ccc([O-])cc1)N1CCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC000436799127 297035587 /nfs/dbraw/zinc/03/55/87/297035587.db2.gz XBFWHWWRNRDLDS-CYBMUJFWSA-N -1 3 324.371 2.585 20 0 DFADHM COc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000436824804 297037464 /nfs/dbraw/zinc/03/74/64/297037464.db2.gz DFSYATCLHHVRFQ-PSASIEDQSA-N -1 3 303.280 2.814 20 0 DFADHM CCC1(CC)CN(C(=O)c2ccc(C)c(C)c2[O-])CC[S@]1=O ZINC000436825754 297037474 /nfs/dbraw/zinc/03/74/74/297037474.db2.gz MDRZAVIOHWXBPU-JOCHJYFZSA-N -1 3 323.458 2.772 20 0 DFADHM CCc1ccc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000436830123 297038028 /nfs/dbraw/zinc/03/80/28/297038028.db2.gz NJFXWOCSAYXDBB-QZTJIDSGSA-N -1 3 324.424 2.782 20 0 DFADHM CCc1ccc(C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c([O-])c1 ZINC000436830459 297038224 /nfs/dbraw/zinc/03/82/24/297038224.db2.gz DHCMUQXFNAUCOP-BMFZPTHFSA-N -1 3 303.402 2.888 20 0 DFADHM CCc1ccc(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([O-])c1 ZINC000436830462 297038243 /nfs/dbraw/zinc/03/82/43/297038243.db2.gz DHCMUQXFNAUCOP-NUEKZKHPSA-N -1 3 303.402 2.888 20 0 DFADHM COc1ccc(C(=O)NCCCNc2ccccc2F)c([O-])c1 ZINC000436833793 297038645 /nfs/dbraw/zinc/03/86/45/297038645.db2.gz MTEBQEVLQMPVLF-UHFFFAOYSA-N -1 3 318.348 2.772 20 0 DFADHM CCc1ccc(-c2nc(Cc3cccc(C(N)=O)c3)no2)c([O-])c1 ZINC000436850181 297039605 /nfs/dbraw/zinc/03/96/05/297039605.db2.gz ZHHOJCDQRJRURQ-UHFFFAOYSA-N -1 3 323.352 2.694 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(OC3COC3)cc2)c([O-])c1 ZINC000436844152 297039718 /nfs/dbraw/zinc/03/97/18/297039718.db2.gz DMKFUMSXFQBIRH-UHFFFAOYSA-N -1 3 313.353 2.985 20 0 DFADHM Cc1noc(C[C@H](NC(=O)c2ccccc2[O-])c2ccccc2)n1 ZINC000436852401 297039898 /nfs/dbraw/zinc/03/98/98/297039898.db2.gz AEOZVERDUARUNG-HNNXBMFYSA-N -1 3 323.352 2.797 20 0 DFADHM Cc1noc(C[C@@H](NC(=O)c2ccccc2[O-])c2ccccc2)n1 ZINC000436852405 297040190 /nfs/dbraw/zinc/04/01/90/297040190.db2.gz AEOZVERDUARUNG-OAHLLOKOSA-N -1 3 323.352 2.797 20 0 DFADHM Cc1cccc(OCCCNC(=O)c2c([O-])cccc2O)c1C ZINC000436863642 297040920 /nfs/dbraw/zinc/04/09/20/297040920.db2.gz KUMGGPMOJOYBPB-UHFFFAOYSA-N -1 3 315.369 2.914 20 0 DFADHM Cc1cccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)no2)c1[O-] ZINC000436902785 297043549 /nfs/dbraw/zinc/04/35/49/297043549.db2.gz RBPRMMIZELXQRQ-UHFFFAOYSA-N -1 3 307.309 2.912 20 0 DFADHM Cc1cc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)ccc1[O-] ZINC000436900908 297043569 /nfs/dbraw/zinc/04/35/69/297043569.db2.gz FGPMUDWOTCFTGJ-JTQLQIEISA-N -1 3 303.362 2.872 20 0 DFADHM CCc1ccc([C@H](COC)NC(=O)c2ccc([O-])c(C)c2)o1 ZINC000436896408 297043101 /nfs/dbraw/zinc/04/31/01/297043101.db2.gz MMXSCXZONRRCLW-AWEZNQCLSA-N -1 3 303.358 2.974 20 0 DFADHM COCCC1(NC(=O)c2ccc3c(c2[O-])CCCC3)CCC1 ZINC000436900888 297043167 /nfs/dbraw/zinc/04/31/67/297043167.db2.gz FBSQPPCNVISXFA-UHFFFAOYSA-N -1 3 303.402 2.960 20 0 DFADHM COc1cccc(C(=O)NCc2nc3cc(F)ccc3o2)c1[O-] ZINC000436906405 297043794 /nfs/dbraw/zinc/04/37/94/297043794.db2.gz VTUIVHHKURIZED-UHFFFAOYSA-N -1 3 316.288 2.611 20 0 DFADHM CC(C)(C)[C@H](CCO)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436976287 297049538 /nfs/dbraw/zinc/04/95/38/297049538.db2.gz BKZPXPAFIYWXLB-HNNXBMFYSA-N -1 3 305.418 2.798 20 0 DFADHM CCO[C@H]1C[C@@H](NC(=O)c2cccc(OC)c2[O-])C12CCCC2 ZINC000436918274 297045008 /nfs/dbraw/zinc/04/50/08/297045008.db2.gz FVQDLYKCCKWUTG-CABCVRRESA-N -1 3 319.401 2.868 20 0 DFADHM COC(=O)COc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436924789 297045072 /nfs/dbraw/zinc/04/50/72/297045072.db2.gz HWSSJFQGVWMNFH-UHFFFAOYSA-N -1 3 315.325 2.505 20 0 DFADHM COc1cccc(C(=O)N[C@H]2COc3ccc(Cl)cc32)c1[O-] ZINC000436939172 297046432 /nfs/dbraw/zinc/04/64/32/297046432.db2.gz MWWIIUVAEVNJCW-LBPRGKRZSA-N -1 3 319.744 2.918 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H]2CC[C@@H](OC)C2)c([O-])c1 ZINC000436982575 297049646 /nfs/dbraw/zinc/04/96/46/297049646.db2.gz VCWXSPFCMWRLHW-QWHCGFSZSA-N -1 3 307.390 2.868 20 0 DFADHM CCCN(CCN(C)C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436962439 297048130 /nfs/dbraw/zinc/04/81/30/297048130.db2.gz LTQGSMPJPBQLBD-UHFFFAOYSA-N -1 3 302.777 2.599 20 0 DFADHM CC(C)CN(CCN(C)C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436959629 297048162 /nfs/dbraw/zinc/04/81/62/297048162.db2.gz DPUSFEGVNVDORW-UHFFFAOYSA-N -1 3 316.804 2.845 20 0 DFADHM CC[C@H](C)C[C@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436967808 297048419 /nfs/dbraw/zinc/04/84/19/297048419.db2.gz ZEXNGMQQEHLXQY-JSGCOSHPSA-N -1 3 320.433 2.761 20 0 DFADHM COC[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccco1 ZINC000436966571 297048565 /nfs/dbraw/zinc/04/85/65/297048565.db2.gz VVXCTJSGPMLXLB-HNNXBMFYSA-N -1 3 315.369 2.982 20 0 DFADHM COC[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccco1 ZINC000436966572 297048661 /nfs/dbraw/zinc/04/86/61/297048661.db2.gz VVXCTJSGPMLXLB-OAHLLOKOSA-N -1 3 315.369 2.982 20 0 DFADHM C[C@]1(CO)CCC[C@@H]1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436975215 297049315 /nfs/dbraw/zinc/04/93/15/297049315.db2.gz IGNUUWWTPARGIQ-MAUKXSAKSA-N -1 3 303.402 2.552 20 0 DFADHM COc1cc(C)cc(C(=O)Nc2cc(C)c3nccn3c2)c1[O-] ZINC000436980340 297049942 /nfs/dbraw/zinc/04/99/42/297049942.db2.gz MWDMWABQKKHXGM-UHFFFAOYSA-N -1 3 311.341 2.918 20 0 DFADHM C[C@@]1(NC(=O)c2ccc3c(c2[O-])CCCC3)CCO[C@H]1C1CC1 ZINC000436982620 297049988 /nfs/dbraw/zinc/04/99/88/297049988.db2.gz UJHRXJUFKXSILT-PKOBYXMFSA-N -1 3 315.413 2.958 20 0 DFADHM Cc1nc([C@](C)(NC(=O)c2ccc(C)c(C)c2[O-])C2CC2)no1 ZINC000436984850 297050307 /nfs/dbraw/zinc/05/03/07/297050307.db2.gz BKRWBCYBMACXRG-QGZVFWFLSA-N -1 3 315.373 2.756 20 0 DFADHM Cc1cnccc1CCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436986641 297050346 /nfs/dbraw/zinc/05/03/46/297050346.db2.gz KQRITVVGCNXTSF-UHFFFAOYSA-N -1 3 310.397 2.947 20 0 DFADHM CCCCOc1ccc(C(=O)N2CC[C@](O)(CC)C2)c([O-])c1 ZINC000436984818 297050415 /nfs/dbraw/zinc/05/04/15/297050415.db2.gz BFFZJDPKTDEYSQ-QGZVFWFLSA-N -1 3 307.390 2.558 20 0 DFADHM CCN1C[C@H](C)N(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@@H]1C ZINC000436990659 297050500 /nfs/dbraw/zinc/05/05/00/297050500.db2.gz VPLXRGGMKZYTTI-KBPBESRZSA-N -1 3 316.445 2.826 20 0 DFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000436990963 297050647 /nfs/dbraw/zinc/05/06/47/297050647.db2.gz RPXOZLCEYQVHSP-NQBHXWOUSA-N -1 3 304.390 2.905 20 0 DFADHM CCCCOc1ccc(C(=O)N[C@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000436988435 297050855 /nfs/dbraw/zinc/05/08/55/297050855.db2.gz PGZFAJVRLMMEMX-STQMWFEESA-N -1 3 307.390 2.868 20 0 DFADHM CCCCOc1ccc(C(=O)NCC(C)(C)C(=O)OC)c([O-])c1 ZINC000436991716 297051091 /nfs/dbraw/zinc/05/10/91/297051091.db2.gz YVPKOZFNURAVBF-UHFFFAOYSA-N -1 3 323.389 2.500 20 0 DFADHM Cc1ccc(C(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)c([O-])c1C ZINC000436993859 297051325 /nfs/dbraw/zinc/05/13/25/297051325.db2.gz IBIOCCZMQGHABM-GOSISDBHSA-N -1 3 324.380 2.622 20 0 DFADHM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000437217467 297057790 /nfs/dbraw/zinc/05/77/90/297057790.db2.gz QRRDTVYAWGOKIY-JKSUJKDBSA-N -1 3 313.353 2.782 20 0 DFADHM COc1cc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)ccc1[O-] ZINC000437312872 297059480 /nfs/dbraw/zinc/05/94/80/297059480.db2.gz GPGFQSJNNAHNDQ-ZWNOBZJWSA-N -1 3 319.307 2.965 20 0 DFADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1csc(=O)[n-]1 ZINC000437377945 297061045 /nfs/dbraw/zinc/06/10/45/297061045.db2.gz QSGJLPNPNIONPE-OIBJUYFYSA-N -1 3 312.753 2.927 20 0 DFADHM CCc1ccc([O-])c(C(=O)N[C@H](C)[C@H](O)Cc2ccccc2)c1 ZINC000495189913 299908493 /nfs/dbraw/zinc/90/84/93/299908493.db2.gz HMVXMSUKCKOYDZ-FZKQIMNGSA-N -1 3 313.397 2.677 20 0 DFADHM COc1ccc(N[C@@H](C)c2cccnc2)cc1[N-]S(C)(=O)=O ZINC000112521419 295163779 /nfs/dbraw/zinc/16/37/79/295163779.db2.gz URPKVRHYCHQKRN-NSHDSACASA-N -1 3 321.402 2.635 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCOC3(CCCCC3)C2)c1 ZINC000174375749 295164862 /nfs/dbraw/zinc/16/48/62/295164862.db2.gz PQTAABXZMOMLMM-UHFFFAOYSA-N -1 3 305.374 2.576 20 0 DFADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCCO1 ZINC000155233033 295315372 /nfs/dbraw/zinc/31/53/72/295315372.db2.gz KCJHRCSFVIBGFY-LLVKDONJSA-N -1 3 300.152 2.662 20 0 DFADHM CC[C@@H]1CCC[C@@H]1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000155481723 295319578 /nfs/dbraw/zinc/31/95/78/295319578.db2.gz DBYIQQQVQQTIGE-HIFRSBDPSA-N -1 3 318.417 2.515 20 0 DFADHM Cc1ccc([O-])c(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000156426915 295336435 /nfs/dbraw/zinc/33/64/35/295336435.db2.gz IAEUUELRQCLNTF-NYHFZMIOSA-N -1 3 317.410 2.550 20 0 DFADHM Cc1nncn1-c1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000156814393 295341346 /nfs/dbraw/zinc/34/13/46/295341346.db2.gz MRPPSUYAFPOASC-UHFFFAOYSA-N -1 3 308.341 2.842 20 0 DFADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cccc(F)c1F ZINC000157274033 295346578 /nfs/dbraw/zinc/34/65/78/295346578.db2.gz XVXHJIRWBOFUHF-UHFFFAOYSA-N -1 3 308.675 2.913 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC000157745825 295352843 /nfs/dbraw/zinc/35/28/43/295352843.db2.gz FABFHEZADFSFOH-RYUDHWBXSA-N -1 3 321.801 2.715 20 0 DFADHM COC(=O)c1cccc2nc(NC(=O)C[C@H](C)C(C)C)[n-]c21 ZINC000158458909 295363220 /nfs/dbraw/zinc/36/32/20/295363220.db2.gz GICCCCHNNYAEHT-JTQLQIEISA-N -1 3 303.362 2.970 20 0 DFADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)C(C)C)nc21 ZINC000158458909 295363222 /nfs/dbraw/zinc/36/32/22/295363222.db2.gz GICCCCHNNYAEHT-JTQLQIEISA-N -1 3 303.362 2.970 20 0 DFADHM CCOc1ccc(F)c([N-]C(=O)c2cn(C(C)C)nn2)c1F ZINC000410627396 295511615 /nfs/dbraw/zinc/51/16/15/295511615.db2.gz UOYIMARXEJQRNK-UHFFFAOYSA-N -1 3 310.304 2.788 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)CC(F)F)c([O-])c1 ZINC000412128359 295591942 /nfs/dbraw/zinc/59/19/42/295591942.db2.gz IYSVVPLQIFHCQQ-QMMMGPOBSA-N -1 3 301.289 2.799 20 0 DFADHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412190202 295598804 /nfs/dbraw/zinc/59/88/04/295598804.db2.gz FOESMUMDFKKELZ-JKSUJKDBSA-N -1 3 319.401 2.918 20 0 DFADHM COC1CCC(CCNC(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000412243720 295604282 /nfs/dbraw/zinc/60/42/82/295604282.db2.gz BLEVXLACYYEIMP-UHFFFAOYSA-N -1 3 319.401 2.920 20 0 DFADHM COCC1(CNC(=O)c2ccc(C(C)=O)c([O-])c2)CCCCC1 ZINC000412356974 295615259 /nfs/dbraw/zinc/61/52/59/295615259.db2.gz DCBQBVMKKVWUMR-UHFFFAOYSA-N -1 3 319.401 2.922 20 0 DFADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c2ccncc2c1=O ZINC000412379705 295617576 /nfs/dbraw/zinc/61/75/76/295617576.db2.gz WVAYNQWDPICTPZ-CHWSQXEVSA-N -1 3 313.401 2.869 20 0 DFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCO[C@H](C2CCC2)C1 ZINC000412454718 295625002 /nfs/dbraw/zinc/62/50/02/295625002.db2.gz GHGDVZISWSDDTB-KRWDZBQOSA-N -1 3 315.413 2.912 20 0 DFADHM C[C@@H]1C[C@@H](CNC(=O)c2cc([O-])ccc2C(F)(F)F)[C@H](C)O1 ZINC000412661360 295643218 /nfs/dbraw/zinc/64/32/18/295643218.db2.gz UKUOPBXEXWSRFF-UTLUCORTSA-N -1 3 317.307 2.954 20 0 DFADHM CC(=O)c1ccc(C(=O)NC[C@@H](C)CC(F)(F)F)cc1[O-] ZINC000412668829 295643984 /nfs/dbraw/zinc/64/39/84/295643984.db2.gz FNZPWQLDCOZLSA-QMMMGPOBSA-N -1 3 303.280 2.913 20 0 DFADHM COCC1CCC(NC(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000412694031 295646580 /nfs/dbraw/zinc/64/65/80/295646580.db2.gz KZNBIJUHDUXNQM-UHFFFAOYSA-N -1 3 305.374 2.530 20 0 DFADHM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1CCN(C)C ZINC000438240636 297085560 /nfs/dbraw/zinc/08/55/60/297085560.db2.gz VBAZNFXHNIUUIX-UHFFFAOYSA-N -1 3 324.471 2.961 20 0 DFADHM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1c([O-])cccc1O ZINC000438460517 297093935 /nfs/dbraw/zinc/09/39/35/297093935.db2.gz METDOMFOGIDSRW-XYPYZODXSA-N -1 3 301.317 2.913 20 0 DFADHM CCOCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000439053001 297113384 /nfs/dbraw/zinc/11/33/84/297113384.db2.gz FGJSBUMPGAQQCK-UHFFFAOYSA-N -1 3 313.397 2.944 20 0 DFADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2cncs2)c1 ZINC000439204591 297118797 /nfs/dbraw/zinc/11/87/97/297118797.db2.gz QJMBKWARSWXKML-VIFPVBQESA-N -1 3 300.380 2.630 20 0 DFADHM O=C(Nc1ccccc1-c1cn[nH]c1)c1ccc2n[n-]nc2c1 ZINC000439750494 297137192 /nfs/dbraw/zinc/13/71/92/297137192.db2.gz ZWTUMHAVZROOSD-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000440378196 297151258 /nfs/dbraw/zinc/15/12/58/297151258.db2.gz UOBCLUFSNXLAHY-LBPRGKRZSA-N -1 3 313.357 2.645 20 0 DFADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c(F)cc1F ZINC000440397224 297151469 /nfs/dbraw/zinc/15/14/69/297151469.db2.gz IHIVNXNOVIENCW-LLVKDONJSA-N -1 3 301.358 2.908 20 0 DFADHM COc1cc(C(=O)NCCCc2cccc(F)c2)ccc1[O-] ZINC000442648098 297198967 /nfs/dbraw/zinc/19/89/67/297198967.db2.gz JZESFAYRUKUHET-UHFFFAOYSA-N -1 3 303.333 2.903 20 0 DFADHM COc1cc(C(=O)N(C)CCN(C)c2ccccc2)ccc1[O-] ZINC000442650097 297199228 /nfs/dbraw/zinc/19/92/28/297199228.db2.gz OGYJOIGNTADGST-UHFFFAOYSA-N -1 3 314.385 2.609 20 0 DFADHM CO[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000442778486 297205415 /nfs/dbraw/zinc/20/54/15/297205415.db2.gz KCXDTAADEQKCHM-JTQLQIEISA-N -1 3 313.806 2.806 20 0 DFADHM CCC(CC)[C@@H](CCNC(=O)c1ccc([O-])c(OC)c1)OC ZINC000443059839 297213875 /nfs/dbraw/zinc/21/38/75/297213875.db2.gz NKMKSOQBLTWVOA-OAHLLOKOSA-N -1 3 309.406 2.972 20 0 DFADHM NC(=O)c1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000443915850 297228224 /nfs/dbraw/zinc/22/82/24/297228224.db2.gz NFXHISUJKLWYGF-UHFFFAOYSA-N -1 3 300.261 2.517 20 0 DFADHM O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1c[n-]nn1 ZINC000444756232 297248980 /nfs/dbraw/zinc/24/89/80/297248980.db2.gz RCAHJXBPPJVYBU-SECBINFHSA-N -1 3 322.649 2.631 20 0 DFADHM O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cnn[n-]1 ZINC000444756232 297248982 /nfs/dbraw/zinc/24/89/82/297248982.db2.gz RCAHJXBPPJVYBU-SECBINFHSA-N -1 3 322.649 2.631 20 0 DFADHM O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cn[n-]n1 ZINC000444756232 297248985 /nfs/dbraw/zinc/24/89/85/297248985.db2.gz RCAHJXBPPJVYBU-SECBINFHSA-N -1 3 322.649 2.631 20 0 DFADHM [O-]c1cncc(/C=C\c2nc(-c3cnc4ccccn43)no2)c1 ZINC000445576387 297263152 /nfs/dbraw/zinc/26/31/52/297263152.db2.gz WQJOEKKSVJBBBB-PLNGDYQASA-N -1 3 305.297 2.655 20 0 DFADHM CCc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2=O)c([O-])c1 ZINC000446964331 297291295 /nfs/dbraw/zinc/29/12/95/297291295.db2.gz HOISLRZTJJVDRO-MRXNPFEDSA-N -1 3 309.365 2.882 20 0 DFADHM CC(=O)c1ccc(C(=O)[N-]c2nc3c(s2)C(=O)CCC3)o1 ZINC000447343033 297301913 /nfs/dbraw/zinc/30/19/13/297301913.db2.gz WIOXJXJOUODPPH-UHFFFAOYSA-N -1 3 304.327 2.710 20 0 DFADHM CCOC(=O)c1cccc([N-]C(=O)c2cc(OCC)no2)c1 ZINC000448599137 297347398 /nfs/dbraw/zinc/34/73/98/297347398.db2.gz XTJRFZBLZHRFRS-UHFFFAOYSA-N -1 3 304.302 2.502 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccncc1)C1CC1 ZINC000448774025 297366626 /nfs/dbraw/zinc/36/66/26/297366626.db2.gz ZGGQAGBHMUJPOI-UHFFFAOYSA-N -1 3 300.333 2.660 20 0 DFADHM CCCOc1ncccc1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448802650 297369981 /nfs/dbraw/zinc/36/99/81/297369981.db2.gz YCMJRAKWZVJGOJ-UHFFFAOYSA-N -1 3 318.348 2.574 20 0 DFADHM C[C@@H]1CC[C@@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC000448935536 297380974 /nfs/dbraw/zinc/38/09/74/297380974.db2.gz ITPWDOJMJAXXOJ-LALPHHSUSA-N -1 3 313.405 2.555 20 0 DFADHM C[C@@H]1CC[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC000448935536 297380976 /nfs/dbraw/zinc/38/09/76/297380976.db2.gz ITPWDOJMJAXXOJ-LALPHHSUSA-N -1 3 313.405 2.555 20 0 DFADHM C[C@@H]1CN(C)CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000448944056 297381759 /nfs/dbraw/zinc/38/17/59/297381759.db2.gz BRSVLUGAXGVKDQ-CQSZACIVSA-N -1 3 312.413 2.641 20 0 DFADHM Cc1ccc([C@@H]2COCCN2C(=O)Cc2ccc([O-])c(F)c2)o1 ZINC000449887543 297554170 /nfs/dbraw/zinc/55/41/70/297554170.db2.gz ZVZPUEKRHMPYKC-AWEZNQCLSA-N -1 3 319.332 2.575 20 0 DFADHM CN1CCCN(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000449948235 297564588 /nfs/dbraw/zinc/56/45/88/297564588.db2.gz LHFYDPDWDBGFGW-UHFFFAOYSA-N -1 3 314.360 2.947 20 0 DFADHM CCC1(CC)[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C[C@@H]1OC ZINC000450145045 297592244 /nfs/dbraw/zinc/59/22/44/297592244.db2.gz IDOVFZYONVBBLZ-GJZGRUSLSA-N -1 3 309.381 2.784 20 0 DFADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)C(F)F ZINC000451079295 297743905 /nfs/dbraw/zinc/74/39/05/297743905.db2.gz IJRYMPGUUMIPPZ-ZETCQYMHSA-N -1 3 315.288 2.610 20 0 DFADHM CCc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1OC ZINC000451104031 297748377 /nfs/dbraw/zinc/74/83/77/297748377.db2.gz DSEZXOMITDEUEX-CQSZACIVSA-N -1 3 313.419 2.568 20 0 DFADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000451326842 297788992 /nfs/dbraw/zinc/78/89/92/297788992.db2.gz DVVWBLOOJFVYQG-SCZZXKLOSA-N -1 3 305.271 2.873 20 0 DFADHM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000451746443 297868811 /nfs/dbraw/zinc/86/88/11/297868811.db2.gz ZQPPZENBSRWTHP-ZDUSSCGKSA-N -1 3 311.451 2.633 20 0 DFADHM CCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C)o1 ZINC000451954322 297903818 /nfs/dbraw/zinc/90/38/18/297903818.db2.gz AGNFBBVDPHNTJN-UHFFFAOYSA-N -1 3 314.794 2.677 20 0 DFADHM CCc1ncc(C[N-]S(=O)(=O)c2cc(C)ccc2Cl)o1 ZINC000451959334 297905252 /nfs/dbraw/zinc/90/52/52/297905252.db2.gz NBURIQYWRQARII-UHFFFAOYSA-N -1 3 314.794 2.677 20 0 DFADHM CCOc1cc(C(=O)[N-]c2ccc3c(C)n(C)nc3c2)on1 ZINC000452232436 297949072 /nfs/dbraw/zinc/94/90/72/297949072.db2.gz WMUMDKDQYNSUEW-UHFFFAOYSA-N -1 3 300.318 2.521 20 0 DFADHM CC[C@H]1CCCC[C@H]1CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000452424916 297974385 /nfs/dbraw/zinc/97/43/85/297974385.db2.gz RGSXVDYDOOTFMR-KBPBESRZSA-N -1 3 305.422 2.674 20 0 DFADHM CCCCOc1ccc(C(=O)NCCC(C)(C)CO)c([O-])c1 ZINC000452431147 297975842 /nfs/dbraw/zinc/97/58/42/297975842.db2.gz PUJLKDQBOBLPSN-UHFFFAOYSA-N -1 3 309.406 2.710 20 0 DFADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000452589699 297996824 /nfs/dbraw/zinc/99/68/24/297996824.db2.gz NTIJWBZCXXDZIR-NUEKZKHPSA-N -1 3 321.392 2.616 20 0 DFADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCO[C@@H]1C ZINC000452756835 298019617 /nfs/dbraw/zinc/01/96/17/298019617.db2.gz ONUPKPUUCFQDMC-RKDXNWHRSA-N -1 3 314.179 2.827 20 0 DFADHM CCO[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C[C@H]1C ZINC000452844865 298034328 /nfs/dbraw/zinc/03/43/28/298034328.db2.gz WDLFJARFCBGMSY-ABAIWWIYSA-N -1 3 311.809 2.862 20 0 DFADHM COc1ccc([O-])c(C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000452873707 298037367 /nfs/dbraw/zinc/03/73/67/298037367.db2.gz HTGCRCQWVQLGPO-BLLLJJGKSA-N -1 3 307.390 2.582 20 0 DFADHM COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000452919135 298043464 /nfs/dbraw/zinc/04/34/64/298043464.db2.gz DCSGVELKVNHWGO-CQSZACIVSA-N -1 3 307.390 2.669 20 0 DFADHM CC[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000454293798 298150147 /nfs/dbraw/zinc/15/01/47/298150147.db2.gz DNYISMOBWSZJEX-WDEREUQCSA-N -1 3 315.373 2.518 20 0 DFADHM C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000454357614 298161304 /nfs/dbraw/zinc/16/13/04/298161304.db2.gz DYMRIDSDTPFBKT-DYZYQPBXSA-N -1 3 315.373 2.661 20 0 DFADHM CC1(C)CC=C(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000455514030 298373404 /nfs/dbraw/zinc/37/34/04/298373404.db2.gz MPRKREWDBJBAJJ-UHFFFAOYSA-N -1 3 311.389 2.619 20 0 DFADHM CC1(C)CC=C(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000455514030 298373406 /nfs/dbraw/zinc/37/34/06/298373406.db2.gz MPRKREWDBJBAJJ-UHFFFAOYSA-N -1 3 311.389 2.619 20 0 DFADHM CC1(C)C[C@@H](CNC(=O)NCc2ccc([O-])c(F)c2)CCO1 ZINC000455636621 298393560 /nfs/dbraw/zinc/39/35/60/298393560.db2.gz ZXMRQWXODGADDJ-LBPRGKRZSA-N -1 3 310.369 2.536 20 0 DFADHM Cc1ccc(C(=O)N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c([O-])c1C ZINC000456299434 298489695 /nfs/dbraw/zinc/48/96/95/298489695.db2.gz CZGRQGATWAIXPE-KFWWJZLASA-N -1 3 303.402 2.632 20 0 DFADHM CC(C)(O)C(C)(C)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000456791194 298583346 /nfs/dbraw/zinc/58/33/46/298583346.db2.gz BZXJCFBSJGRAHE-UHFFFAOYSA-N -1 3 319.323 2.938 20 0 DFADHM C[C@@H](CC(F)(F)F)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000457428126 298723100 /nfs/dbraw/zinc/72/31/00/298723100.db2.gz HLXKVLAUHCEEAF-QMMMGPOBSA-N -1 3 324.324 2.585 20 0 DFADHM Cc1cc(C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C)ccc1[O-] ZINC000458407102 298924341 /nfs/dbraw/zinc/92/43/41/298924341.db2.gz YMCNVTMYCAVNKV-GFCCVEGCSA-N -1 3 307.390 2.750 20 0 DFADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)c2cccnc2)cc1[O-] ZINC000496174667 300025414 /nfs/dbraw/zinc/02/54/14/300025414.db2.gz XMRSVYMBYMBRCF-SNVBAGLBSA-N -1 3 316.313 2.884 20 0 DFADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc2c(c1)OCCCCO2 ZINC000263029051 300032206 /nfs/dbraw/zinc/03/22/06/300032206.db2.gz GUYMJMOBLDXIHC-DZGCQCFKSA-N -1 3 319.401 2.923 20 0 DFADHM CN(C[C@H]1CCCN1Cc1ncccc1[O-])C(=O)OC(C)(C)C ZINC000496287148 300041000 /nfs/dbraw/zinc/04/10/00/300041000.db2.gz XVBSRBHURJBZAM-CYBMUJFWSA-N -1 3 321.421 2.619 20 0 DFADHM CCO[N-]C(=O)C[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000496703170 300101522 /nfs/dbraw/zinc/10/15/22/300101522.db2.gz QWNDNBPNVNKARQ-NWDGAFQWSA-N -1 3 300.399 2.528 20 0 DFADHM Cc1ccc(NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000496815027 300118954 /nfs/dbraw/zinc/11/89/54/300118954.db2.gz MNSALVYRPYTVCO-NSHDSACASA-N -1 3 308.378 2.895 20 0 DFADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])N(C)C(=O)OC(C)(C)C ZINC000496904754 300130721 /nfs/dbraw/zinc/13/07/21/300130721.db2.gz XLGBQWFQGZVFNH-SECBINFHSA-N -1 3 312.341 2.725 20 0 DFADHM CC(C)(C)OC(=O)N1CC(C)(C(=O)Nc2ccccc2[O-])C1 ZINC000497197521 300177106 /nfs/dbraw/zinc/17/71/06/300177106.db2.gz SEWLQCFOOSNAJZ-UHFFFAOYSA-N -1 3 306.362 2.588 20 0 DFADHM CN(C)C1(CN=c2nc(-c3ccccc3)[n-]s2)CCCC1 ZINC000504040107 300222495 /nfs/dbraw/zinc/22/24/95/300222495.db2.gz HWRATOJJLNJFPO-UHFFFAOYSA-N -1 3 302.447 2.913 20 0 DFADHM Cn1cc(NC(=O)c2ccc3n[n-]nc3c2)c(C2CCCCC2)n1 ZINC000514654328 300264448 /nfs/dbraw/zinc/26/44/48/300264448.db2.gz VDWQEZJVAWWIQN-UHFFFAOYSA-N -1 3 324.388 2.991 20 0 DFADHM COC1CCN(c2c(C(=O)[O-])cnc3ccc(C)cc32)CC1 ZINC000514732448 300268504 /nfs/dbraw/zinc/26/85/04/300268504.db2.gz IESIQYCHUHFJGS-UHFFFAOYSA-N -1 3 300.358 2.857 20 0 DFADHM C[C@@H]1CN(Cc2ncc(-c3cccs3)o2)C[C@]1(C)C(=O)[O-] ZINC000514867223 300276475 /nfs/dbraw/zinc/27/64/75/300276475.db2.gz ROCLIOWFLUSRTB-BMIGLBTASA-N -1 3 306.387 2.946 20 0 DFADHM CC(C)c1nc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)n[nH]1 ZINC000515272346 300297873 /nfs/dbraw/zinc/29/78/73/300297873.db2.gz CZXPIAHBGXVHCT-UHFFFAOYSA-N -1 3 319.312 2.735 20 0 DFADHM O=C(NCC[C@@H]1CCc2ccccc21)c1cc(F)cc2nn[n-]c21 ZINC000515597841 300314367 /nfs/dbraw/zinc/31/43/67/300314367.db2.gz HGLGEAIDICRIDK-LBPRGKRZSA-N -1 3 324.359 2.947 20 0 DFADHM O=C(NCC[C@@H]1CCc2ccccc21)c1cc(F)cc2[n-]nnc21 ZINC000515597841 300314370 /nfs/dbraw/zinc/31/43/70/300314370.db2.gz HGLGEAIDICRIDK-LBPRGKRZSA-N -1 3 324.359 2.947 20 0 DFADHM O=C(NCC[C@@H]1CCc2ccccc21)c1cc(F)cc2n[n-]nc21 ZINC000515597841 300314372 /nfs/dbraw/zinc/31/43/72/300314372.db2.gz HGLGEAIDICRIDK-LBPRGKRZSA-N -1 3 324.359 2.947 20 0 DFADHM Cc1ccc([O-])c(CN2C[C@@H](C)C(=O)N(C)c3ccccc32)n1 ZINC000516171588 300332638 /nfs/dbraw/zinc/33/26/38/300332638.db2.gz RQTGAAPUFNFNKR-GFCCVEGCSA-N -1 3 311.385 2.715 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCC(F)(c2ccccn2)CC1 ZINC000516478920 300344073 /nfs/dbraw/zinc/34/40/73/300344073.db2.gz CMTYVUSQSIMCOC-UHFFFAOYSA-N -1 3 300.333 2.888 20 0 DFADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)CCC(F)(F)F)o1 ZINC000516881444 300366544 /nfs/dbraw/zinc/36/65/44/300366544.db2.gz BDWFDLWUFGPMBD-PSASIEDQSA-N -1 3 311.325 2.775 20 0 DFADHM O=C(c1c[n-]c2ccncc2c1=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000516956623 300372850 /nfs/dbraw/zinc/37/28/50/300372850.db2.gz FFMNIOLEGZPWHU-IBGZPJMESA-N -1 3 323.396 2.886 20 0 DFADHM Cc1ccc(-c2n[nH]cc2CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000517029960 300378995 /nfs/dbraw/zinc/37/89/95/300378995.db2.gz KMKRLZQXVOGKEN-ZWNOBZJWSA-N -1 3 303.362 2.521 20 0 DFADHM CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C(C)(C)C ZINC000517178206 300386400 /nfs/dbraw/zinc/38/64/00/300386400.db2.gz UFVUZRTXTHQIEI-LBPRGKRZSA-N -1 3 303.362 2.516 20 0 DFADHM CCOc1cc2nccc(NC[C@@H](C)C(=O)[O-])c2cc1OCC ZINC000517378956 300394741 /nfs/dbraw/zinc/39/47/41/300394741.db2.gz ZSOJZNCGANJCRF-LLVKDONJSA-N -1 3 318.373 2.587 20 0 DFADHM O=S(=O)([N-]CC[C@H]1CCOC1)c1ccc2ccccc2c1F ZINC000518088023 300415906 /nfs/dbraw/zinc/41/59/06/300415906.db2.gz PLKBFMANPDGTDH-LBPRGKRZSA-N -1 3 323.389 2.684 20 0 DFADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1cscn1 ZINC000519544721 300457547 /nfs/dbraw/zinc/45/75/47/300457547.db2.gz SPFDQPNAWQJPLH-MGCOHNPYSA-N -1 3 312.391 2.507 20 0 DFADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1N(C)C(C)=O ZINC000519609576 300462920 /nfs/dbraw/zinc/46/29/20/300462920.db2.gz SZUDEDMGDXPNSL-CYBMUJFWSA-N -1 3 312.435 2.990 20 0 DFADHM Cn1c(CNCC2(C(=O)[O-])CCCC2)nc2cc(Cl)ccc21 ZINC000521526870 300529201 /nfs/dbraw/zinc/52/92/01/300529201.db2.gz VBQVGGOGURSCKM-UHFFFAOYSA-N -1 3 321.808 2.961 20 0 DFADHM CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[O-] ZINC000521979823 300543148 /nfs/dbraw/zinc/54/31/48/300543148.db2.gz NHZIXGAJJQKQOW-UHFFFAOYSA-N -1 3 302.355 2.792 20 0 DFADHM C[C@@H](O)COc1cccc(-c2nc3ccc(F)cc3c(=O)[n-]2)c1 ZINC000522238776 300553984 /nfs/dbraw/zinc/55/39/84/300553984.db2.gz ZBECVGCAMFJEQW-SNVBAGLBSA-N -1 3 314.316 2.901 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(Sc2nncs2)c(Cl)c1 ZINC000524450413 300577544 /nfs/dbraw/zinc/57/75/44/300577544.db2.gz ANOAVBOBXIFEKS-UHFFFAOYSA-N -1 3 321.836 2.714 20 0 DFADHM Cc1cc(C)c(C(=O)[C@H](C)Sc2n[n-]c(CO)n2)cc1C ZINC000526068731 300620394 /nfs/dbraw/zinc/62/03/94/300620394.db2.gz ZXSBGKGLZJALGV-NSHDSACASA-N -1 3 305.403 2.586 20 0 DFADHM C[C@H](CCNC(=O)CNC(=O)c1ccc([O-])cc1)CC(C)(C)C ZINC000526955305 300628879 /nfs/dbraw/zinc/62/88/79/300628879.db2.gz SINWLRKTQMUSSE-CYBMUJFWSA-N -1 3 320.433 2.701 20 0 DFADHM O=C(NCc1ncccc1[O-])c1ccc(SC2CC2)cc1 ZINC000527190257 300642421 /nfs/dbraw/zinc/64/24/21/300642421.db2.gz OVJMXPQSDJNPBY-UHFFFAOYSA-N -1 3 300.383 2.972 20 0 DFADHM O=S(=O)([N-]CCc1ccccc1C(F)(F)F)c1ccco1 ZINC000527326524 300651568 /nfs/dbraw/zinc/65/15/68/300651568.db2.gz ZNGHYTDZHLSYGV-UHFFFAOYSA-N -1 3 319.304 2.819 20 0 DFADHM CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cscn1 ZINC000528486376 300797852 /nfs/dbraw/zinc/79/78/52/300797852.db2.gz FJDKTTXLYZLXOE-CYBMUJFWSA-N -1 3 310.444 2.833 20 0 DFADHM C[C@]1(C[C@H]2CCCN2C(=O)CC2CCCC2)NC(=O)[N-]C1=O ZINC000329353581 300809693 /nfs/dbraw/zinc/80/96/93/300809693.db2.gz FDXOHYBTVKVLPM-MLGOLLRUSA-N -1 3 307.394 2.591 20 0 DFADHM COc1cccc([C@H](CNC(=O)c2cccc(C)c2[O-])OC)c1 ZINC000529572862 300953688 /nfs/dbraw/zinc/95/36/88/300953688.db2.gz QZQYVULGMADKRY-INIZCTEOSA-N -1 3 315.369 2.827 20 0 DFADHM CC1(C)Cc2ccc(C(=O)NCC[C@H]3CCCOC3)c([O-])c2O1 ZINC000529598160 300957255 /nfs/dbraw/zinc/95/72/55/300957255.db2.gz JYIMZEZCKHKCQG-GFCCVEGCSA-N -1 3 319.401 2.652 20 0 DFADHM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1cc(=O)[n-]cn1 ZINC000529944097 300994733 /nfs/dbraw/zinc/99/47/33/300994733.db2.gz WUUGXOKGVWDIOB-CYBMUJFWSA-N -1 3 315.348 2.730 20 0 DFADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)OCC2(C)C)OC ZINC000530141090 301020492 /nfs/dbraw/zinc/02/04/92/301020492.db2.gz PPNCUWFUODFHJX-LBPRGKRZSA-N -1 3 313.419 2.523 20 0 DFADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cnc(C(=O)[O-])cn1 ZINC000530162584 301021786 /nfs/dbraw/zinc/02/17/86/301021786.db2.gz XEBLGWQHBCQDFB-AAEUAGOBSA-N -1 3 315.348 2.692 20 0 DFADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cnc(C(=O)[O-])cn1 ZINC000530162586 301021923 /nfs/dbraw/zinc/02/19/23/301021923.db2.gz XEBLGWQHBCQDFB-WCQYABFASA-N -1 3 315.348 2.692 20 0 DFADHM C[C@]1(CNCc2ccc(C(=O)[O-])cc2)COc2ccccc2O1 ZINC000530251800 301034570 /nfs/dbraw/zinc/03/45/70/301034570.db2.gz JJHFWQVQRCPJRN-SFHVURJKSA-N -1 3 313.353 2.705 20 0 DFADHM C[C@@H]1[C@@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)[C@@H]1C1CC1 ZINC000530263164 301036314 /nfs/dbraw/zinc/03/63/14/301036314.db2.gz LTTPWAONFMDAOB-AQUOVQTQSA-N -1 3 300.337 2.841 20 0 DFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000531135290 301081498 /nfs/dbraw/zinc/08/14/98/301081498.db2.gz QSFWVWDVRAWRSK-LLVKDONJSA-N -1 3 314.316 2.523 20 0 DFADHM Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1[O-] ZINC000318106299 301090331 /nfs/dbraw/zinc/09/03/31/301090331.db2.gz NGVAVPCPSIHMPW-BFYDXBDKSA-N -1 3 303.402 2.856 20 0 DFADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)s1 ZINC000531434115 301092153 /nfs/dbraw/zinc/09/21/53/301092153.db2.gz JDQFCJSLPXXJCP-KGLIPLIRSA-N -1 3 322.455 2.669 20 0 DFADHM CCc1cccc(C(=O)N2CCC[C@]3(CCCOC3)C2)c1[O-] ZINC000531436311 301092181 /nfs/dbraw/zinc/09/21/81/301092181.db2.gz WADQRRGKIBCOML-SFHVURJKSA-N -1 3 303.402 2.987 20 0 DFADHM CCc1cccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)c1[O-] ZINC000531436218 301092195 /nfs/dbraw/zinc/09/21/95/301092195.db2.gz PXSYRIKWMDAIIF-UHFFFAOYSA-N -1 3 312.325 2.538 20 0 DFADHM CCc1ccc([O-])c(C(=O)NCCOc2ncccc2Cl)c1 ZINC000531617903 301099869 /nfs/dbraw/zinc/09/98/69/301099869.db2.gz UGUHRYVGWRKCGN-UHFFFAOYSA-N -1 3 320.776 2.812 20 0 DFADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cccc(C(C)C)n1 ZINC000531882783 301117049 /nfs/dbraw/zinc/11/70/49/301117049.db2.gz IMTUVTNHEJNIBJ-UHFFFAOYSA-N -1 3 316.361 2.666 20 0 DFADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cccc(C(C)C)n1 ZINC000531882783 301117050 /nfs/dbraw/zinc/11/70/50/301117050.db2.gz IMTUVTNHEJNIBJ-UHFFFAOYSA-N -1 3 316.361 2.666 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2ccc(OC)c(Cl)c2)c1 ZINC000532012504 301125378 /nfs/dbraw/zinc/12/53/78/301125378.db2.gz 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/nfs/dbraw/zinc/86/83/23/521868323.db2.gz FWGSCJDEFLHUEK-ZDUSSCGKSA-N -1 3 324.396 2.880 20 0 DFADHM CCc1nc([C@H]2CCCN2C(=O)c2ccc([O-])c(CC)c2)no1 ZINC000365985027 522467469 /nfs/dbraw/zinc/46/74/69/522467469.db2.gz AUGZSPUPMRUVIZ-CYBMUJFWSA-N -1 3 315.373 2.877 20 0 DFADHM COC[C@H]1CCCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000364854215 522813529 /nfs/dbraw/zinc/81/35/29/522813529.db2.gz HBBPCKSDAXIQFA-LBPRGKRZSA-N -1 3 311.809 2.863 20 0 DFADHM Cc1cccc(C[C@@H](CO)NCc2c(F)ccc([O-])c2F)c1 ZINC000294529361 534722101 /nfs/dbraw/zinc/72/21/01/534722101.db2.gz DBMYOKVIGCNJBQ-ZDUSSCGKSA-N -1 3 307.340 2.672 20 0 DFADHM CC[C@H](C)CC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000365078203 523848762 /nfs/dbraw/zinc/84/87/62/523848762.db2.gz STCFUYIIBBQZEZ-ZDUSSCGKSA-N -1 3 318.417 2.549 20 0 DFADHM COc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccsc3)C2)c1 ZINC000163391235 524726367 /nfs/dbraw/zinc/72/63/67/524726367.db2.gz SSPHXJSBIIFRHQ-HNNXBMFYSA-N -1 3 319.382 2.676 20 0 DFADHM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCOC1 ZINC000354498799 525267570 /nfs/dbraw/zinc/26/75/70/525267570.db2.gz ZPXYRJBLTAVXKN-GFCCVEGCSA-N -1 3 324.229 2.698 20 0 DFADHM CSc1ccc(C(=O)N2CCCC23CCOCC3)c([O-])c1 ZINC000365194650 525955913 /nfs/dbraw/zinc/95/59/13/525955913.db2.gz DOHZRFXAPJOSMV-UHFFFAOYSA-N -1 3 307.415 2.899 20 0 DFADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000163918755 526719084 /nfs/dbraw/zinc/71/90/84/526719084.db2.gz OXWDYLOLDBFQFF-HNNXBMFYSA-N -1 3 321.384 2.675 20 0 DFADHM CC(C)(CO)ON=C([O-])Nc1ccc(OC(F)F)c(Cl)c1 ZINC000297482033 527208840 /nfs/dbraw/zinc/20/88/40/527208840.db2.gz OVUQEYBLPBSKDG-UHFFFAOYSA-N -1 3 324.711 2.765 20 0 DFADHM CC(C)(CO)O[N-]C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000297482033 527208844 /nfs/dbraw/zinc/20/88/44/527208844.db2.gz OVUQEYBLPBSKDG-UHFFFAOYSA-N -1 3 324.711 2.765 20 0 DFADHM CC(=O)c1ccc(C(=O)N2CC=C(C(F)(F)F)CC2)cc1[O-] ZINC000331339813 527239102 /nfs/dbraw/zinc/23/91/02/527239102.db2.gz JVJMWXKPGUSJCB-UHFFFAOYSA-N -1 3 313.275 2.929 20 0 DFADHM O=C([O-])C1(NCc2cccc(F)c2Br)CCC1 ZINC000156984790 527559010 /nfs/dbraw/zinc/55/90/10/527559010.db2.gz ZCOWFFFKLNTYPG-UHFFFAOYSA-N -1 3 302.143 2.685 20 0 DFADHM CCC[C@H](C)CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000299477696 528031062 /nfs/dbraw/zinc/03/10/62/528031062.db2.gz DWTNRNJQMRGXMJ-APPDUMDISA-N -1 3 317.389 2.506 20 0 DFADHM CC(C)O[N-]C(=O)c1c(F)cccc1I ZINC000297230702 528050884 /nfs/dbraw/zinc/05/08/84/528050884.db2.gz OMVOGPVRLRVAOZ-UHFFFAOYSA-N -1 3 323.105 2.500 20 0 DFADHM CC1=C(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)CCC1 ZINC000329218986 528071580 /nfs/dbraw/zinc/07/15/80/528071580.db2.gz SDQMVPXIRXOSRV-BZNIZROVSA-N -1 3 305.378 2.511 20 0 DFADHM CCOc1cc(CN(C)[C@@H](C)C[S@](C)=O)cc(Cl)c1[O-] ZINC000297364956 528259886 /nfs/dbraw/zinc/25/98/86/528259886.db2.gz GCGHZUHJYYGCSY-FVINQWEUSA-N -1 3 319.854 2.643 20 0 DFADHM CCC[C@H]1CN(C(=O)c2ccc3[n-]c(OCC)nc3c2)CCO1 ZINC000332620857 528397120 /nfs/dbraw/zinc/39/71/20/528397120.db2.gz WSPHRGXLFFYBMY-ZDUSSCGKSA-N -1 3 317.389 2.603 20 0 DFADHM CCC[C@H]1CN(C(=O)c2ccc3nc(OCC)[n-]c3c2)CCO1 ZINC000332620857 528397123 /nfs/dbraw/zinc/39/71/23/528397123.db2.gz WSPHRGXLFFYBMY-ZDUSSCGKSA-N -1 3 317.389 2.603 20 0 DFADHM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2csc(=O)[n-]2)C1(C)C ZINC000331772431 528648755 /nfs/dbraw/zinc/64/87/55/528648755.db2.gz LYUXKXUAHMQDQX-NEPJUHHUSA-N -1 3 312.435 2.905 20 0 DFADHM CCCc1nc(C)c(C(=O)[N-]c2nc3ccc(Cl)cn3n2)o1 ZINC000297583248 528715829 /nfs/dbraw/zinc/71/58/29/528715829.db2.gz CAWGOKLJJLXNHM-UHFFFAOYSA-N -1 3 319.752 2.884 20 0 DFADHM CC(C)N(C(=O)c1ccc2c(c1[O-])CCCC2)[C@@H]1CCOC1 ZINC000292904502 528788597 /nfs/dbraw/zinc/78/85/97/528788597.db2.gz RGOJVMHLIMHNJB-CQSZACIVSA-N -1 3 303.402 2.911 20 0 DFADHM CCCCn1c(=O)[n-]nc1SCc1cccc(C(C)=O)c1 ZINC000295023843 529066174 /nfs/dbraw/zinc/06/61/74/529066174.db2.gz QWQHGCDLAPNJTP-UHFFFAOYSA-N -1 3 305.403 2.866 20 0 DFADHM CC[C@@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)C1CCC(C)CC1 ZINC000332620789 529279428 /nfs/dbraw/zinc/27/94/28/529279428.db2.gz RABUYEDNDISZFY-JXQTWKCFSA-N -1 3 317.433 2.919 20 0 DFADHM CC1(C)[C@H](NC(=O)Cc2ccc([O-])cc2Cl)[C@H]2CCO[C@H]21 ZINC000247653471 535050898 /nfs/dbraw/zinc/05/08/98/535050898.db2.gz WSNWGPVGLRAZJJ-KCPJHIHWSA-N -1 3 309.793 2.518 20 0 DFADHM CC(C)(C)c1ccc(C2(CNC(=O)c3c[n-]nn3)CCC2)cc1 ZINC000354565391 535110277 /nfs/dbraw/zinc/11/02/77/535110277.db2.gz HHFGSOKPFQVVQN-UHFFFAOYSA-N -1 3 312.417 2.954 20 0 DFADHM CC(C)(C)c1ccc(C2(CNC(=O)c3cnn[n-]3)CCC2)cc1 ZINC000354565391 535110281 /nfs/dbraw/zinc/11/02/81/535110281.db2.gz HHFGSOKPFQVVQN-UHFFFAOYSA-N -1 3 312.417 2.954 20 0 DFADHM CC(C)(C)c1ccc(C2(CNC(=O)c3cn[n-]n3)CCC2)cc1 ZINC000354565391 535110285 /nfs/dbraw/zinc/11/02/85/535110285.db2.gz HHFGSOKPFQVVQN-UHFFFAOYSA-N -1 3 312.417 2.954 20 0 DFADHM CCCN(C(=O)c1cc(C)nc(=O)[n-]1)[C@H]1C[C@H](OCC)C1(C)C ZINC000354473985 535238370 /nfs/dbraw/zinc/23/83/70/535238370.db2.gz QODQXEPXYHSSIG-KBPBESRZSA-N -1 3 321.421 2.546 20 0 DFADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(C)o2)CCCC1 ZINC000358584421 535487784 /nfs/dbraw/zinc/48/77/84/535487784.db2.gz GDKNISCUFKITKK-UHFFFAOYSA-N -1 3 315.435 2.853 20 0 DFADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)c2cccnc2)c([O-])c1 ZINC000174073815 535693351 /nfs/dbraw/zinc/69/33/51/535693351.db2.gz AVZSELAOQFNEQJ-NSHDSACASA-N -1 3 314.341 2.706 20 0 DFADHM CC[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1nccs1 ZINC000362817486 535860130 /nfs/dbraw/zinc/86/01/30/535860130.db2.gz LTUIZYNNSOSQFH-NSHDSACASA-N -1 3 313.386 2.809 20 0 DFADHM CC[C@H](NC(=O)c1cn[n-]c1-c1ccccn1)c1nccs1 ZINC000362817486 535860134 /nfs/dbraw/zinc/86/01/34/535860134.db2.gz LTUIZYNNSOSQFH-NSHDSACASA-N -1 3 313.386 2.809 20 0 DFADHM COc1ccc([O-])c(C(=O)NCc2cc(=O)[nH]c3ccccc23)c1 ZINC000354879091 536821299 /nfs/dbraw/zinc/82/12/99/536821299.db2.gz AHVPAJOBDZLCIH-UHFFFAOYSA-N -1 3 324.336 2.585 20 0 DFADHM COc1cccc([C@H](CNc2cccc(C(=O)[O-])n2)N(C)C)c1 ZINC000261735761 537141780 /nfs/dbraw/zinc/14/17/80/537141780.db2.gz NMFGADJEWJANHK-HNNXBMFYSA-N -1 3 315.373 2.503 20 0 DFADHM CS(=O)(=O)[N-]c1ccc(-c2noc([C@@H]3CC34CCC4)n2)cc1 ZINC000680673805 545527691 /nfs/dbraw/zinc/52/76/91/545527691.db2.gz SECJFDKRJWRAOW-LBPRGKRZSA-N -1 3 319.386 2.766 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@@]2(C)c2ccccc2)s1 ZINC000680858652 545553470 /nfs/dbraw/zinc/55/34/70/545553470.db2.gz XNNCQLGJGLECLR-DOMZBBRYSA-N -1 3 322.455 2.714 20 0 DFADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCc3ccc(C)cc32)s1 ZINC000680857527 545553594 /nfs/dbraw/zinc/55/35/94/545553594.db2.gz IGJSDVBAIRLWFN-ZDUSSCGKSA-N -1 3 322.455 2.980 20 0 DFADHM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)N(C)Cc1ccccc1 ZINC000681043750 545588032 /nfs/dbraw/zinc/58/80/32/545588032.db2.gz BKYVFZJGOCMKBB-ZDUSSCGKSA-N -1 3 316.376 2.782 20 0 DFADHM Cc1ccc(C(=O)N(C)C[C@@H]2CCc3nccn3C2)c([O-])c1C ZINC000681899880 545745711 /nfs/dbraw/zinc/74/57/11/545745711.db2.gz URJFFBBHMDVMRX-AWEZNQCLSA-N -1 3 313.401 2.540 20 0 DFADHM O=C(c1cccc([O-])c1)N1CCN([C@H]2CCc3ccccc32)CC1 ZINC000682071442 545789192 /nfs/dbraw/zinc/78/91/92/545789192.db2.gz DXMGYZQFOKLIDY-IBGZPJMESA-N -1 3 322.408 2.838 20 0 DFADHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccco2)cc1 ZINC000682082157 545793618 /nfs/dbraw/zinc/79/36/18/545793618.db2.gz QWBTWPZVSITIDT-HOCLYGCPSA-N -1 3 321.398 2.787 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c([O-])c1 ZINC000682444069 545850259 /nfs/dbraw/zinc/85/02/59/545850259.db2.gz ZNMRQWQQFCCSMR-UHFFFAOYSA-N -1 3 312.325 2.538 20 0 DFADHM CCO[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000682477284 545857158 /nfs/dbraw/zinc/85/71/58/545857158.db2.gz UOYZMQKBAPGOOE-CQSZACIVSA-N -1 3 309.381 2.882 20 0 DFADHM COc1nnc([N-]C(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000682680481 545896744 /nfs/dbraw/zinc/89/67/44/545896744.db2.gz KMCRUEGHNZTIRD-UHFFFAOYSA-N -1 3 305.693 2.731 20 0 DFADHM CC[C@]1([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)CCOC1 ZINC000682937137 545944100 /nfs/dbraw/zinc/94/41/00/545944100.db2.gz CKFANHFSQNQCDF-AWEZNQCLSA-N -1 3 317.476 2.893 20 0 DFADHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1snnc1C(C)(C)C ZINC000683128249 545977014 /nfs/dbraw/zinc/97/70/14/545977014.db2.gz GTUCYQYSRWWGTF-UHFFFAOYSA-N -1 3 324.431 2.557 20 0 DFADHM COc1cccc(C[C@@H](NCc2ccc(F)cc2F)C(=O)[O-])c1 ZINC000683174398 545984458 /nfs/dbraw/zinc/98/44/58/545984458.db2.gz NVXBBBKHANBWIY-MRXNPFEDSA-N -1 3 321.323 2.759 20 0 DFADHM CCc1cc([N-]C(=O)c2cnc(OCc3ccccc3)cn2)no1 ZINC000683244795 545994925 /nfs/dbraw/zinc/99/49/25/545994925.db2.gz XNXVTKKDSLOPEA-UHFFFAOYSA-N -1 3 324.340 2.858 20 0 DFADHM COc1cccnc1[N-]C(=O)c1ncc(Br)s1 ZINC000683405468 546028090 /nfs/dbraw/zinc/02/80/90/546028090.db2.gz HXOGGZSGBHMFNY-UHFFFAOYSA-N -1 3 314.164 2.562 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](c3ccnc(C)n3)C2)n1 ZINC000684088685 546148975 /nfs/dbraw/zinc/14/89/75/546148975.db2.gz IZAAXMQZSIYFMI-JSGCOSHPSA-N -1 3 313.405 2.530 20 0 DFADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)n1 ZINC000684089610 546149243 /nfs/dbraw/zinc/14/92/43/546149243.db2.gz WYBUIECNMPNZON-HRCADAONSA-N -1 3 324.428 2.620 20 0 DFADHM O=S(=O)([N-][C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccccn1 ZINC000684598735 546250300 /nfs/dbraw/zinc/25/03/00/546250300.db2.gz FTICIYLRKCERBN-HIFRSBDPSA-N -1 3 320.389 2.835 20 0 DFADHM CC(C)([N-]S(=O)(=O)c1cccc2cccnc21)C(F)F ZINC000684597883 546250502 /nfs/dbraw/zinc/25/05/02/546250502.db2.gz PPKJUVBHOGGYRC-UHFFFAOYSA-N -1 3 300.330 2.557 20 0 DFADHM CC[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCOC1 ZINC000684661289 546259062 /nfs/dbraw/zinc/25/90/62/546259062.db2.gz VHHYZONAZHKEBM-GFCCVEGCSA-N -1 3 324.229 2.841 20 0 DFADHM [O-]c1cccnc1CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000685431274 546348312 /nfs/dbraw/zinc/34/83/12/546348312.db2.gz MPYMXFBFSURWTC-AWEZNQCLSA-N -1 3 312.417 2.700 20 0 DFADHM COc1cccc([C@@H](CO)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000685809780 546392914 /nfs/dbraw/zinc/39/29/14/546392914.db2.gz XZQPECYGRLTVBK-OAHLLOKOSA-N -1 3 321.760 2.518 20 0 DFADHM C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc([O-])ccc1Cl ZINC000685854188 546400020 /nfs/dbraw/zinc/40/00/20/546400020.db2.gz CBQNZZRFKWVDPM-RDDDGLTNSA-N -1 3 323.698 2.837 20 0 DFADHM CC(C)(C)CCCNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735603146 598827038 /nfs/dbraw/zinc/82/70/38/598827038.db2.gz YFMUFFCSKBKRAM-UHFFFAOYSA-N -1 3 318.450 2.979 20 0 DFADHM CC(C)(C)CCCNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000735603146 598827039 /nfs/dbraw/zinc/82/70/39/598827039.db2.gz YFMUFFCSKBKRAM-UHFFFAOYSA-N -1 3 318.450 2.979 20 0 DFADHM CC[C@H](C)[C@](C)(O)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736326657 599436514 /nfs/dbraw/zinc/43/65/14/599436514.db2.gz CFPHWVWOMCMJCN-LKFCYVNXSA-N -1 3 309.801 2.729 20 0 DFADHM CC[C@H](C)[C@](C)(O)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736326657 599436520 /nfs/dbraw/zinc/43/65/20/599436520.db2.gz CFPHWVWOMCMJCN-LKFCYVNXSA-N -1 3 309.801 2.729 20 0 DFADHM CC(C)(C)CCCNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735602952 598848096 /nfs/dbraw/zinc/84/80/96/598848096.db2.gz SZPILBFASLNDMI-UHFFFAOYSA-N -1 3 315.421 2.742 20 0 DFADHM CC(C)(C)CCCNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735602952 598848097 /nfs/dbraw/zinc/84/80/97/598848097.db2.gz SZPILBFASLNDMI-UHFFFAOYSA-N -1 3 315.421 2.742 20 0 DFADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1coc2ccccc12 ZINC000738232191 598849595 /nfs/dbraw/zinc/84/95/95/598849595.db2.gz QILXCBZSTWCNNM-UHFFFAOYSA-N -1 3 320.308 2.970 20 0 DFADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000738232191 598849596 /nfs/dbraw/zinc/84/95/96/598849596.db2.gz QILXCBZSTWCNNM-UHFFFAOYSA-N -1 3 320.308 2.970 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C(C)C)no1 ZINC000737294373 598864516 /nfs/dbraw/zinc/86/45/16/598864516.db2.gz MPSMHCYQTDWMOK-UHFFFAOYSA-N -1 3 312.333 2.539 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(C)C)no1 ZINC000737294373 598864517 /nfs/dbraw/zinc/86/45/17/598864517.db2.gz MPSMHCYQTDWMOK-UHFFFAOYSA-N -1 3 312.333 2.539 20 0 DFADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000736114334 598876975 /nfs/dbraw/zinc/87/69/75/598876975.db2.gz AZPKGFQRHKIPBS-JTQLQIEISA-N -1 3 300.366 2.567 20 0 DFADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000736114334 598876976 /nfs/dbraw/zinc/87/69/76/598876976.db2.gz AZPKGFQRHKIPBS-JTQLQIEISA-N -1 3 300.366 2.567 20 0 DFADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736119284 598879759 /nfs/dbraw/zinc/87/97/59/598879759.db2.gz XGEZRHRGVCWABR-VIFPVBQESA-N -1 3 318.356 2.706 20 0 DFADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736119284 598879761 /nfs/dbraw/zinc/87/97/61/598879761.db2.gz XGEZRHRGVCWABR-VIFPVBQESA-N -1 3 318.356 2.706 20 0 DFADHM CC(C)[C@H](C)CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120122 598890156 /nfs/dbraw/zinc/89/01/56/598890156.db2.gz XHJGGTFDVPRDSV-VXGBXAGGSA-N -1 3 316.409 2.519 20 0 DFADHM CC(C)[C@H](C)CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120122 598890158 /nfs/dbraw/zinc/89/01/58/598890158.db2.gz XHJGGTFDVPRDSV-VXGBXAGGSA-N -1 3 316.409 2.519 20 0 DFADHM FC(F)C(F)(F)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000737638580 598892873 /nfs/dbraw/zinc/89/28/73/598892873.db2.gz FOKWVAZJCJBUOS-UHFFFAOYSA-N -1 3 310.638 2.799 20 0 DFADHM FC(F)C(F)(F)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000737638580 598892874 /nfs/dbraw/zinc/89/28/74/598892874.db2.gz FOKWVAZJCJBUOS-UHFFFAOYSA-N -1 3 310.638 2.799 20 0 DFADHM CC(C)[C@H](C)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735699823 598903552 /nfs/dbraw/zinc/90/35/52/598903552.db2.gz CYMIBVBJOLHXRJ-SECBINFHSA-N -1 3 322.800 2.934 20 0 DFADHM CC(C)[C@H](C)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735699823 598903554 /nfs/dbraw/zinc/90/35/54/598903554.db2.gz CYMIBVBJOLHXRJ-SECBINFHSA-N -1 3 322.800 2.934 20 0 DFADHM C[C@@H]1CCCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736266456 598920350 /nfs/dbraw/zinc/92/03/50/598920350.db2.gz HWKJOBGCHMULPZ-LLVKDONJSA-N -1 3 300.366 2.663 20 0 DFADHM C[C@@H]1CCCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736266456 598920351 /nfs/dbraw/zinc/92/03/51/598920351.db2.gz HWKJOBGCHMULPZ-LLVKDONJSA-N -1 3 300.366 2.663 20 0 DFADHM CC(C)CCN(c1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000735811597 598936626 /nfs/dbraw/zinc/93/66/26/598936626.db2.gz MVEAKGYLAPRUDP-UHFFFAOYSA-N -1 3 306.801 2.930 20 0 DFADHM CC(C)CCN(c1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000735811597 598936627 /nfs/dbraw/zinc/93/66/27/598936627.db2.gz MVEAKGYLAPRUDP-UHFFFAOYSA-N -1 3 306.801 2.930 20 0 DFADHM CC[C@H]1CCC[C@H](NC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736400161 598942389 /nfs/dbraw/zinc/94/23/89/598942389.db2.gz MOXFDDQAVWULBP-UWVGGRQHSA-N -1 3 305.407 2.627 20 0 DFADHM CC[C@H]1CCC[C@H](NC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736400161 598942390 /nfs/dbraw/zinc/94/23/90/598942390.db2.gz MOXFDDQAVWULBP-UWVGGRQHSA-N -1 3 305.407 2.627 20 0 DFADHM CCCC[C@H](C(=O)[O-])N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000736980528 599707295 /nfs/dbraw/zinc/70/72/95/599707295.db2.gz VJNJIUXCJDHYJW-MRXNPFEDSA-N -1 3 324.465 2.744 20 0 DFADHM C[C@H](CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000736014392 599006792 /nfs/dbraw/zinc/00/67/92/599006792.db2.gz NMIVHSAIZZCACQ-GFCCVEGCSA-N -1 3 315.421 2.598 20 0 DFADHM C[C@H](CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000736014392 599006794 /nfs/dbraw/zinc/00/67/94/599006794.db2.gz NMIVHSAIZZCACQ-GFCCVEGCSA-N -1 3 315.421 2.598 20 0 DFADHM CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736397418 599012706 /nfs/dbraw/zinc/01/27/06/599012706.db2.gz UZNIOBQGMXATMY-RISCZKNCSA-N -1 3 314.393 2.957 20 0 DFADHM CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736397418 599012707 /nfs/dbraw/zinc/01/27/07/599012707.db2.gz UZNIOBQGMXATMY-RISCZKNCSA-N -1 3 314.393 2.957 20 0 DFADHM Cc1cc(F)ccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737269273 599325502 /nfs/dbraw/zinc/32/55/02/599325502.db2.gz BJUCGBYEBFBSSK-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM Cc1cccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737388048 599019241 /nfs/dbraw/zinc/01/92/41/599019241.db2.gz KHXUVIHDSWOITI-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1cccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737388048 599019242 /nfs/dbraw/zinc/01/92/42/599019242.db2.gz KHXUVIHDSWOITI-ZDUSSCGKSA-N -1 3 321.384 2.975 20 0 DFADHM Cc1c(NCCCOCC(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822123074 607257723 /nfs/dbraw/zinc/25/77/23/607257723.db2.gz UMQXQUKLVLHBCE-UHFFFAOYSA-N -1 3 315.299 2.556 20 0 DFADHM Cc1c(NCCCOCC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822123074 607257724 /nfs/dbraw/zinc/25/77/24/607257724.db2.gz UMQXQUKLVLHBCE-UHFFFAOYSA-N -1 3 315.299 2.556 20 0 DFADHM CN(CC(C)(C)C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736788767 599051371 /nfs/dbraw/zinc/05/13/71/599051371.db2.gz OFJGUWPZWSINIJ-UHFFFAOYSA-N -1 3 314.315 2.763 20 0 DFADHM CN(CC(C)(C)C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736788767 599051374 /nfs/dbraw/zinc/05/13/74/599051374.db2.gz OFJGUWPZWSINIJ-UHFFFAOYSA-N -1 3 314.315 2.763 20 0 DFADHM C[C@@H](CCc1cccn1C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820254110 599054923 /nfs/dbraw/zinc/05/49/23/599054923.db2.gz MQSMTKFSLFRDAD-NSHDSACASA-N -1 3 314.368 2.778 20 0 DFADHM C[C@@H](CCc1cccn1C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820254110 599054926 /nfs/dbraw/zinc/05/49/26/599054926.db2.gz MQSMTKFSLFRDAD-NSHDSACASA-N -1 3 314.368 2.778 20 0 DFADHM Cc1noc([C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000737538841 599064115 /nfs/dbraw/zinc/06/41/15/599064115.db2.gz QAROKYUUWMKUFW-LURJTMIESA-N -1 3 306.326 2.551 20 0 DFADHM Cc1noc([C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000737538841 599064117 /nfs/dbraw/zinc/06/41/17/599064117.db2.gz QAROKYUUWMKUFW-LURJTMIESA-N -1 3 306.326 2.551 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736245280 599074802 /nfs/dbraw/zinc/07/48/02/599074802.db2.gz RWAZIHMSJAVAHX-UWVGGRQHSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736245280 599074806 /nfs/dbraw/zinc/07/48/06/599074806.db2.gz RWAZIHMSJAVAHX-UWVGGRQHSA-N -1 3 303.341 2.771 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2F)N(c2ncccc2-c2nnn[n-]2)C1 ZINC000820669192 599077792 /nfs/dbraw/zinc/07/77/92/599077792.db2.gz ZQYNHSCPEOJBLN-IAQYHMDHSA-N -1 3 324.363 2.988 20 0 DFADHM C[C@@H]1C[C@H](c2ccccc2F)N(c2ncccc2-c2nn[n-]n2)C1 ZINC000820669192 599077796 /nfs/dbraw/zinc/07/77/96/599077796.db2.gz ZQYNHSCPEOJBLN-IAQYHMDHSA-N -1 3 324.363 2.988 20 0 DFADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCC3CC3)c2c1 ZINC000822753083 599078433 /nfs/dbraw/zinc/07/84/33/599078433.db2.gz CLLHAZQYELYDFH-UHFFFAOYSA-N -1 3 316.315 2.905 20 0 DFADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCC3CC3)c2c1 ZINC000822753083 599078436 /nfs/dbraw/zinc/07/84/36/599078436.db2.gz CLLHAZQYELYDFH-UHFFFAOYSA-N -1 3 316.315 2.905 20 0 DFADHM C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@@H]1C ZINC000736266814 599082290 /nfs/dbraw/zinc/08/22/90/599082290.db2.gz PISPRFNHFFATPW-CYZFJHGLSA-N -1 3 311.389 2.527 20 0 DFADHM C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@@H]1C ZINC000736266814 599082292 /nfs/dbraw/zinc/08/22/92/599082292.db2.gz PISPRFNHFFATPW-CYZFJHGLSA-N -1 3 311.389 2.527 20 0 DFADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1sccc1-c1nnn[n-]1 ZINC000738020219 599096122 /nfs/dbraw/zinc/09/61/22/599096122.db2.gz MEKCKVCBZVAOSB-NWDGAFQWSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1sccc1-c1nn[n-]n1 ZINC000738020219 599096125 /nfs/dbraw/zinc/09/61/25/599096125.db2.gz MEKCKVCBZVAOSB-NWDGAFQWSA-N -1 3 317.418 2.627 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738021186 599096697 /nfs/dbraw/zinc/09/66/97/599096697.db2.gz PIWZYFMGASKKRG-HUUCEWRRSA-N -1 3 311.389 2.565 20 0 DFADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738021186 599096700 /nfs/dbraw/zinc/09/67/00/599096700.db2.gz PIWZYFMGASKKRG-HUUCEWRRSA-N -1 3 311.389 2.565 20 0 DFADHM CC(C)(C)c1noc(CSc2ccccc2-c2nnn[n-]2)n1 ZINC000735654319 599109445 /nfs/dbraw/zinc/10/94/45/599109445.db2.gz DAJKNOPCFNIRSN-UHFFFAOYSA-N -1 3 316.390 2.840 20 0 DFADHM CC(C)(C)c1noc(CSc2ccccc2-c2nn[n-]n2)n1 ZINC000735654319 599109447 /nfs/dbraw/zinc/10/94/47/599109447.db2.gz DAJKNOPCFNIRSN-UHFFFAOYSA-N -1 3 316.390 2.840 20 0 DFADHM Cc1nnc(N[C@@H]2C[C@H]2C2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737522440 599120957 /nfs/dbraw/zinc/12/09/57/599120957.db2.gz SQGVYMPSMGMAJB-QWHCGFSZSA-N -1 3 313.409 2.654 20 0 DFADHM Cc1nnc(N[C@@H]2C[C@H]2C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737522440 599120959 /nfs/dbraw/zinc/12/09/59/599120959.db2.gz SQGVYMPSMGMAJB-QWHCGFSZSA-N -1 3 313.409 2.654 20 0 DFADHM CC(C)(C)[C@H]1CCCN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736250916 599792521 /nfs/dbraw/zinc/79/25/21/599792521.db2.gz LXPHJZWAEZTIKE-CQSZACIVSA-N -1 3 304.390 2.834 20 0 DFADHM C/C(=C\C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000819764826 599139116 /nfs/dbraw/zinc/13/91/16/599139116.db2.gz LIXLUDYLPYVSIT-FMIVXFBMSA-N -1 3 313.405 2.818 20 0 DFADHM C/C(=C\C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819764826 599139118 /nfs/dbraw/zinc/13/91/18/599139118.db2.gz LIXLUDYLPYVSIT-FMIVXFBMSA-N -1 3 313.405 2.818 20 0 DFADHM CCCC[C@H](CC)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821040430 599168063 /nfs/dbraw/zinc/16/80/63/599168063.db2.gz LSUWGNQLKZWHQZ-NSHDSACASA-N -1 3 319.384 2.838 20 0 DFADHM CCCC[C@H](CC)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821040430 599168066 /nfs/dbraw/zinc/16/80/66/599168066.db2.gz LSUWGNQLKZWHQZ-NSHDSACASA-N -1 3 319.384 2.838 20 0 DFADHM Cc1cc(C)n(CCSc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000737256756 599169210 /nfs/dbraw/zinc/16/92/10/599169210.db2.gz NEDUJXSPBLAROS-UHFFFAOYSA-N -1 3 318.381 2.611 20 0 DFADHM Cc1cc(C)n(CCSc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000737256756 599169212 /nfs/dbraw/zinc/16/92/12/599169212.db2.gz NEDUJXSPBLAROS-UHFFFAOYSA-N -1 3 318.381 2.611 20 0 DFADHM Cc1cc(Sc2ccc(-c3nnn[n-]3)cc2)nc(C2CC2)n1 ZINC000737284067 599169348 /nfs/dbraw/zinc/16/93/48/599169348.db2.gz YECQANFMSNDIDL-UHFFFAOYSA-N -1 3 310.386 2.994 20 0 DFADHM Cc1cc(Sc2ccc(-c3nn[n-]n3)cc2)nc(C2CC2)n1 ZINC000737284067 599169351 /nfs/dbraw/zinc/16/93/51/599169351.db2.gz YECQANFMSNDIDL-UHFFFAOYSA-N -1 3 310.386 2.994 20 0 DFADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@H]1c1ccco1 ZINC000737565820 599170219 /nfs/dbraw/zinc/17/02/19/599170219.db2.gz XVVQBSYLZZWIGD-NSHDSACASA-N -1 3 316.752 2.850 20 0 DFADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@H]1c1ccco1 ZINC000737565820 599170220 /nfs/dbraw/zinc/17/02/20/599170220.db2.gz XVVQBSYLZZWIGD-NSHDSACASA-N -1 3 316.752 2.850 20 0 DFADHM Fc1cccc(F)c1[C@@H]1C[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000737659350 599171576 /nfs/dbraw/zinc/17/15/76/599171576.db2.gz CLRGDVCHVZTCDK-SKDRFNHKSA-N -1 3 314.299 2.508 20 0 DFADHM Fc1cccc(F)c1[C@@H]1C[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000737659350 599171578 /nfs/dbraw/zinc/17/15/78/599171578.db2.gz CLRGDVCHVZTCDK-SKDRFNHKSA-N -1 3 314.299 2.508 20 0 DFADHM CCCC(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736418042 599187524 /nfs/dbraw/zinc/18/75/24/599187524.db2.gz YBSITOYKVNXPNQ-UHFFFAOYSA-N -1 3 302.382 2.875 20 0 DFADHM CCCC(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736418042 599187527 /nfs/dbraw/zinc/18/75/27/599187527.db2.gz YBSITOYKVNXPNQ-UHFFFAOYSA-N -1 3 302.382 2.875 20 0 DFADHM CC(C)C(C)(C)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112592 599187701 /nfs/dbraw/zinc/18/77/01/599187701.db2.gz JLTKLPZQBXBIBS-LLVKDONJSA-N -1 3 316.409 2.662 20 0 DFADHM CC(C)C(C)(C)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112592 599187704 /nfs/dbraw/zinc/18/77/04/599187704.db2.gz JLTKLPZQBXBIBS-LLVKDONJSA-N -1 3 316.409 2.662 20 0 DFADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821034436 599192411 /nfs/dbraw/zinc/19/24/11/599192411.db2.gz MGPFFAUYCSYTAZ-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821034436 599192414 /nfs/dbraw/zinc/19/24/14/599192414.db2.gz MGPFFAUYCSYTAZ-SWLSCSKDSA-N -1 3 313.405 2.908 20 0 DFADHM CCC(CC)(CNC(=O)c1cccc(-c2nnn[n-]2)c1)SC ZINC000820887693 599199569 /nfs/dbraw/zinc/19/95/69/599199569.db2.gz MFAAFGPKMNXTEI-UHFFFAOYSA-N -1 3 319.434 2.518 20 0 DFADHM CCC(CC)(CNC(=O)c1cccc(-c2nn[n-]n2)c1)SC ZINC000820887693 599199570 /nfs/dbraw/zinc/19/95/70/599199570.db2.gz MFAAFGPKMNXTEI-UHFFFAOYSA-N -1 3 319.434 2.518 20 0 DFADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H]1c1cccc(F)c1 ZINC000823478271 599205572 /nfs/dbraw/zinc/20/55/72/599205572.db2.gz IHVTZTOUVQQHJM-HNNXBMFYSA-N -1 3 323.331 2.593 20 0 DFADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H]1c1cccc(F)c1 ZINC000823478271 599205575 /nfs/dbraw/zinc/20/55/75/599205575.db2.gz IHVTZTOUVQQHJM-HNNXBMFYSA-N -1 3 323.331 2.593 20 0 DFADHM Fc1ccc2[nH]cc(CCNc3ccc(-c4nnn[n-]4)cn3)c2c1 ZINC000737655718 599206617 /nfs/dbraw/zinc/20/66/17/599206617.db2.gz FCNLWNJNBYRFQO-UHFFFAOYSA-N -1 3 323.335 2.537 20 0 DFADHM Fc1ccc2[nH]cc(CCNc3ccc(-c4nn[n-]n4)cn3)c2c1 ZINC000737655718 599206619 /nfs/dbraw/zinc/20/66/19/599206619.db2.gz FCNLWNJNBYRFQO-UHFFFAOYSA-N -1 3 323.335 2.537 20 0 DFADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC2(CCCC2)C1 ZINC000822929626 599207396 /nfs/dbraw/zinc/20/73/96/599207396.db2.gz VXTYWLOUMJRIND-BQYQJAHWSA-N -1 3 323.400 2.673 20 0 DFADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC2(CCCC2)C1 ZINC000822929626 599207399 /nfs/dbraw/zinc/20/73/99/599207399.db2.gz VXTYWLOUMJRIND-BQYQJAHWSA-N -1 3 323.400 2.673 20 0 DFADHM CCC/C=C\C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736440014 599220605 /nfs/dbraw/zinc/22/06/05/599220605.db2.gz WXXMANDIKYMNME-LRAPTIAOSA-N -1 3 316.361 2.534 20 0 DFADHM CCC/C=C\C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736440014 599220608 /nfs/dbraw/zinc/22/06/08/599220608.db2.gz WXXMANDIKYMNME-LRAPTIAOSA-N -1 3 316.361 2.534 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NCC1Cc2ccccc2C1 ZINC000737639925 599232204 /nfs/dbraw/zinc/23/22/04/599232204.db2.gz HWKLWAUNTVOCNQ-UHFFFAOYSA-N -1 3 309.348 2.833 20 0 DFADHM Cc1c(NC(=O)c2ccc3c(c2)CCC3)cccc1-c1nnn[n-]1 ZINC000822108406 607268192 /nfs/dbraw/zinc/26/81/92/607268192.db2.gz IWJLMFLLTTXTST-UHFFFAOYSA-N -1 3 319.368 2.916 20 0 DFADHM Cc1c(NC(=O)c2ccc3c(c2)CCC3)cccc1-c1nn[n-]n1 ZINC000822108406 607268193 /nfs/dbraw/zinc/26/81/93/607268193.db2.gz IWJLMFLLTTXTST-UHFFFAOYSA-N -1 3 319.368 2.916 20 0 DFADHM C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818075856 597070198 /nfs/dbraw/zinc/07/01/98/597070198.db2.gz RJZJCYBEVOUWJR-QWHCGFSZSA-N -1 3 315.373 2.984 20 0 DFADHM Cc1ccccc1OCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822366828 607270399 /nfs/dbraw/zinc/27/03/99/607270399.db2.gz UYSISRQYOUEUHM-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1ccccc1OCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822366828 607270400 /nfs/dbraw/zinc/27/04/00/607270400.db2.gz UYSISRQYOUEUHM-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820870098 599242844 /nfs/dbraw/zinc/24/28/44/599242844.db2.gz MRMLABOSJANMSW-GHMZBOCLSA-N -1 3 302.382 2.813 20 0 DFADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820870098 599242847 /nfs/dbraw/zinc/24/28/47/599242847.db2.gz MRMLABOSJANMSW-GHMZBOCLSA-N -1 3 302.382 2.813 20 0 DFADHM Cc1c(NC(=O)C=Cc2ccsc2)cccc1-c1nnn[n-]1 ZINC000822066414 607271357 /nfs/dbraw/zinc/27/13/57/607271357.db2.gz FAOFTIVBXWZPSV-AATRIKPKSA-N -1 3 311.370 2.889 20 0 DFADHM Cc1c(NC(=O)C=Cc2ccsc2)cccc1-c1nn[n-]n1 ZINC000822066414 607271358 /nfs/dbraw/zinc/27/13/58/607271358.db2.gz FAOFTIVBXWZPSV-AATRIKPKSA-N -1 3 311.370 2.889 20 0 DFADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)CC(=O)N2C ZINC000263448122 597245824 /nfs/dbraw/zinc/24/58/24/597245824.db2.gz YPLZGELJMUZJKX-GFCCVEGCSA-N -1 3 324.380 2.755 20 0 DFADHM Cc1c([C@H](C)NCCCC(=O)[O-])nnn1-c1ccc(Cl)cc1 ZINC000818772687 597249034 /nfs/dbraw/zinc/24/90/34/597249034.db2.gz JCVDKYYSINHKMV-JTQLQIEISA-N -1 3 322.796 2.745 20 0 DFADHM CCN(CC(C)C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821169917 607288775 /nfs/dbraw/zinc/28/87/75/607288775.db2.gz IUQOMMMHPKZFAN-UHFFFAOYSA-N -1 3 302.382 2.685 20 0 DFADHM CCN(CC(C)C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821169917 607288776 /nfs/dbraw/zinc/28/87/76/607288776.db2.gz IUQOMMMHPKZFAN-UHFFFAOYSA-N -1 3 302.382 2.685 20 0 DFADHM CC[C@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820978353 607288863 /nfs/dbraw/zinc/28/88/63/607288863.db2.gz AFUBBNSGIAPRNX-LBPRGKRZSA-N -1 3 314.393 2.972 20 0 DFADHM CC[C@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820978353 607288864 /nfs/dbraw/zinc/28/88/64/607288864.db2.gz AFUBBNSGIAPRNX-LBPRGKRZSA-N -1 3 314.393 2.972 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CC[C@H](C)CC2)cccc1-c1nnn[n-]1 ZINC000822105845 607289543 /nfs/dbraw/zinc/28/95/43/607289543.db2.gz XKJTXNFHIRCJIZ-UMSPYCQHSA-N -1 3 314.393 2.875 20 0 DFADHM Cc1c(NC(=O)N[C@H]2CC[C@H](C)CC2)cccc1-c1nn[n-]n1 ZINC000822105845 607289544 /nfs/dbraw/zinc/28/95/44/607289544.db2.gz XKJTXNFHIRCJIZ-UMSPYCQHSA-N -1 3 314.393 2.875 20 0 DFADHM COc1cccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821873839 607289557 /nfs/dbraw/zinc/28/95/57/607289557.db2.gz YXZBZZCIMZUWCX-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM COc1cccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821873839 607289558 /nfs/dbraw/zinc/28/95/58/607289558.db2.gz YXZBZZCIMZUWCX-UHFFFAOYSA-N -1 3 324.344 2.828 20 0 DFADHM Cc1c(NC(=O)N2CCCC[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822083931 607290541 /nfs/dbraw/zinc/29/05/41/607290541.db2.gz FNDHWRZZANNAMU-JTQLQIEISA-N -1 3 300.366 2.581 20 0 DFADHM Cc1c(NC(=O)N2CCCC[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822083931 607290542 /nfs/dbraw/zinc/29/05/42/607290542.db2.gz FNDHWRZZANNAMU-JTQLQIEISA-N -1 3 300.366 2.581 20 0 DFADHM COCc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821695734 607294584 /nfs/dbraw/zinc/29/45/84/607294584.db2.gz GEYCIYUSWLLZPA-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM COCc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821695734 607294585 /nfs/dbraw/zinc/29/45/85/607294585.db2.gz GEYCIYUSWLLZPA-UHFFFAOYSA-N -1 3 323.356 2.574 20 0 DFADHM Cc1c(NC(=O)C[C@@H](C)c2ccncc2)cccc1-c1nnn[n-]1 ZINC000822069449 607296579 /nfs/dbraw/zinc/29/65/79/607296579.db2.gz ZYADYMCZVDUANU-LLVKDONJSA-N -1 3 322.372 2.702 20 0 DFADHM Cc1c(NC(=O)C[C@@H](C)c2ccncc2)cccc1-c1nn[n-]n1 ZINC000822069449 607296580 /nfs/dbraw/zinc/29/65/80/607296580.db2.gz ZYADYMCZVDUANU-LLVKDONJSA-N -1 3 322.372 2.702 20 0 DFADHM C[C@H](C(=O)[O-])N(C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000817779347 597474384 /nfs/dbraw/zinc/47/43/84/597474384.db2.gz KJWNZYOFNSOYFE-YLVJLNSGSA-N -1 3 324.229 2.506 20 0 DFADHM c1cnn(-c2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)c1 ZINC000823815851 607309562 /nfs/dbraw/zinc/30/95/62/607309562.db2.gz KSLZNTJPKLWGBO-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM COc1cc(C)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821712074 607312968 /nfs/dbraw/zinc/31/29/68/607312968.db2.gz CKIYNGVDEVHEDY-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM COc1cc(C)ccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821712074 607312969 /nfs/dbraw/zinc/31/29/69/607312969.db2.gz CKIYNGVDEVHEDY-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1N(C)C ZINC000822209264 607313457 /nfs/dbraw/zinc/31/34/57/607313457.db2.gz AGHVGXATWIDDSX-UHFFFAOYSA-N -1 3 308.389 2.853 20 0 DFADHM C[C@@H](Nc1nnc(C2CC2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461385 607304597 /nfs/dbraw/zinc/30/45/97/607304597.db2.gz JBCWCKWALNSGGB-MRVPVSSYSA-N -1 3 313.390 2.769 20 0 DFADHM C[C@@H](Nc1nnc(C2CC2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461385 607304598 /nfs/dbraw/zinc/30/45/98/607304598.db2.gz JBCWCKWALNSGGB-MRVPVSSYSA-N -1 3 313.390 2.769 20 0 DFADHM Cc1cccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000737394756 599268436 /nfs/dbraw/zinc/26/84/36/599268436.db2.gz VDSKDIQNHVNZQW-UHFFFAOYSA-N -1 3 316.368 2.757 20 0 DFADHM Cc1cccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000737394756 599268438 /nfs/dbraw/zinc/26/84/38/599268438.db2.gz VDSKDIQNHVNZQW-UHFFFAOYSA-N -1 3 316.368 2.757 20 0 DFADHM Cc1noc(C2(C)CCN(Cc3cccc(C(=O)[O-])c3)CC2)n1 ZINC000821235854 597706649 /nfs/dbraw/zinc/70/66/49/597706649.db2.gz OWBJELOKKWKKOO-UHFFFAOYSA-N -1 3 315.373 2.630 20 0 DFADHM CCSCC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000821456628 607327118 /nfs/dbraw/zinc/32/71/18/607327118.db2.gz RGHSDDGLBXYUNV-JTQLQIEISA-N -1 3 309.414 2.974 20 0 DFADHM CCSCC[C@@H](C)N(C)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821456431 607327222 /nfs/dbraw/zinc/32/72/22/607327222.db2.gz PTWNANQVNMFDTG-SNVBAGLBSA-N -1 3 309.414 2.974 20 0 DFADHM CCSCC[C@@H](C)N(C)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821456431 607327223 /nfs/dbraw/zinc/32/72/23/607327223.db2.gz PTWNANQVNMFDTG-SNVBAGLBSA-N -1 3 309.414 2.974 20 0 DFADHM O=C([O-])c1cccc(CNCc2cccc(Cn3cccn3)c2)c1 ZINC000821552777 598203040 /nfs/dbraw/zinc/20/30/40/598203040.db2.gz RHUMHDKSWKAODL-UHFFFAOYSA-N -1 3 321.380 2.919 20 0 DFADHM COCc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1F ZINC000820743617 598203686 /nfs/dbraw/zinc/20/36/86/598203686.db2.gz IDZLSVAOZSKBNW-UHFFFAOYSA-N -1 3 303.333 2.960 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCc2ccccc2C1 ZINC000737639480 598235154 /nfs/dbraw/zinc/23/51/54/598235154.db2.gz CUVMWHRXKQBWBS-AWEZNQCLSA-N -1 3 309.348 2.975 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CC[C@H](c2ccccc2)C1 ZINC000737640792 598243587 /nfs/dbraw/zinc/24/35/87/598243587.db2.gz QKDJQIJWSCFVML-AWEZNQCLSA-N -1 3 309.348 3.000 20 0 DFADHM Cc1cccnc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737436449 598244342 /nfs/dbraw/zinc/24/43/42/598244342.db2.gz MYLJRRUGEPLXHF-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cccnc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737436449 598244343 /nfs/dbraw/zinc/24/43/43/598244343.db2.gz MYLJRRUGEPLXHF-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc2c(c1)CCO2 ZINC000737643906 598248690 /nfs/dbraw/zinc/24/86/90/598248690.db2.gz HNTWLVYLUXJLPJ-UHFFFAOYSA-N -1 3 311.320 2.553 20 0 DFADHM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736264044 598263739 /nfs/dbraw/zinc/26/37/39/598263739.db2.gz SZIWDNBQEDOVIT-QPUJVOFHSA-N -1 3 320.784 2.830 20 0 DFADHM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736264044 598263741 /nfs/dbraw/zinc/26/37/41/598263741.db2.gz SZIWDNBQEDOVIT-QPUJVOFHSA-N -1 3 320.784 2.830 20 0 DFADHM Fc1ccc(CNCc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000737649288 598316570 /nfs/dbraw/zinc/31/65/70/598316570.db2.gz NDEMQXZOQDDAJY-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM Fc1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000737649288 598316572 /nfs/dbraw/zinc/31/65/72/598316572.db2.gz NDEMQXZOQDDAJY-UHFFFAOYSA-N -1 3 319.290 2.574 20 0 DFADHM CCC[C@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736422347 598316944 /nfs/dbraw/zinc/31/69/44/598316944.db2.gz HMKIIAFBWBHZSM-QMMMGPOBSA-N -1 3 324.841 2.995 20 0 DFADHM CCC[C@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736422347 598316946 /nfs/dbraw/zinc/31/69/46/598316946.db2.gz HMKIIAFBWBHZSM-QMMMGPOBSA-N -1 3 324.841 2.995 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)cc1C ZINC000822220121 607351343 /nfs/dbraw/zinc/35/13/43/607351343.db2.gz DUBULEOPWHONLL-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)cc1C ZINC000822220121 607351345 /nfs/dbraw/zinc/35/13/45/607351345.db2.gz DUBULEOPWHONLL-UHFFFAOYSA-N -1 3 311.320 2.875 20 0 DFADHM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000735497532 598359066 /nfs/dbraw/zinc/35/90/66/598359066.db2.gz CUYJBUUTNJDXMJ-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM CC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000735497532 598359068 /nfs/dbraw/zinc/35/90/68/598359068.db2.gz CUYJBUUTNJDXMJ-UHFFFAOYSA-N -1 3 312.304 2.787 20 0 DFADHM Cc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737394421 598388067 /nfs/dbraw/zinc/38/80/67/598388067.db2.gz SODQODCQZVAHLZ-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737394421 598388068 /nfs/dbraw/zinc/38/80/68/598388068.db2.gz SODQODCQZVAHLZ-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM CC/C=C\COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736408591 598414005 /nfs/dbraw/zinc/41/40/05/598414005.db2.gz FLOGFAANUGCPEB-ARJAWSKDSA-N -1 3 318.402 2.609 20 0 DFADHM CC/C=C\COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736408591 598414007 /nfs/dbraw/zinc/41/40/07/598414007.db2.gz FLOGFAANUGCPEB-ARJAWSKDSA-N -1 3 318.402 2.609 20 0 DFADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000737194303 598421606 /nfs/dbraw/zinc/42/16/06/598421606.db2.gz HTGWCMGJTBXGAK-YLSINNKHSA-N -1 3 319.368 2.757 20 0 DFADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000737194303 598421607 /nfs/dbraw/zinc/42/16/07/598421607.db2.gz HTGWCMGJTBXGAK-YLSINNKHSA-N -1 3 319.368 2.757 20 0 DFADHM CC(C)COCCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000735837099 598483532 /nfs/dbraw/zinc/48/35/32/598483532.db2.gz FXZAGXMOBFZBFN-LBPRGKRZSA-N -1 3 318.377 2.534 20 0 DFADHM CC(C)COCCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000735837099 598483534 /nfs/dbraw/zinc/48/35/34/598483534.db2.gz FXZAGXMOBFZBFN-LBPRGKRZSA-N -1 3 318.377 2.534 20 0 DFADHM CC(C)C[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820067577 599686359 /nfs/dbraw/zinc/68/63/59/599686359.db2.gz KLVWUOVCQUZCAP-SNVBAGLBSA-N -1 3 306.801 2.788 20 0 DFADHM CC(C)C[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820067577 599686360 /nfs/dbraw/zinc/68/63/60/599686360.db2.gz KLVWUOVCQUZCAP-SNVBAGLBSA-N -1 3 306.801 2.788 20 0 DFADHM Cc1ccoc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737441422 598488767 /nfs/dbraw/zinc/48/87/67/598488767.db2.gz FYBMXMKVPZDRAS-UHFFFAOYSA-N -1 3 314.349 2.577 20 0 DFADHM Cc1ccoc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737441422 598488768 /nfs/dbraw/zinc/48/87/68/598488768.db2.gz FYBMXMKVPZDRAS-UHFFFAOYSA-N -1 3 314.349 2.577 20 0 DFADHM C[C@H](OC(=O)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736157774 598490835 /nfs/dbraw/zinc/49/08/35/598490835.db2.gz MIJFPNAKNCIOBL-JTQLQIEISA-N -1 3 312.304 2.924 20 0 DFADHM C[C@H](OC(=O)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736157774 598490836 /nfs/dbraw/zinc/49/08/36/598490836.db2.gz MIJFPNAKNCIOBL-JTQLQIEISA-N -1 3 312.304 2.924 20 0 DFADHM CCCSCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736498122 598491088 /nfs/dbraw/zinc/49/10/88/598491088.db2.gz PRYXEYAAPKZBOJ-UHFFFAOYSA-N -1 3 322.438 2.505 20 0 DFADHM CCCSCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736498122 598491090 /nfs/dbraw/zinc/49/10/90/598491090.db2.gz PRYXEYAAPKZBOJ-UHFFFAOYSA-N -1 3 322.438 2.505 20 0 DFADHM Cc1ccccc1C[S@@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737428085 598491093 /nfs/dbraw/zinc/49/10/93/598491093.db2.gz JRQLXYVDWKFGNE-QFIPXVFZSA-N -1 3 312.398 2.624 20 0 DFADHM Cc1ccccc1C[S@@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737428085 598491095 /nfs/dbraw/zinc/49/10/95/598491095.db2.gz JRQLXYVDWKFGNE-QFIPXVFZSA-N -1 3 312.398 2.624 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735761889 598494598 /nfs/dbraw/zinc/49/45/98/598494598.db2.gz RDSOCAHOFIEHAJ-CYBMUJFWSA-N -1 3 315.421 2.897 20 0 DFADHM CC(C)C[C@@H](C)CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735761889 598494599 /nfs/dbraw/zinc/49/45/99/598494599.db2.gz RDSOCAHOFIEHAJ-CYBMUJFWSA-N -1 3 315.421 2.897 20 0 DFADHM CCO[C@@H](CC)C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736613153 598514015 /nfs/dbraw/zinc/51/40/15/598514015.db2.gz DVOSRENZVYXCNS-JTQLQIEISA-N -1 3 323.422 2.553 20 0 DFADHM CCO[C@@H](CC)C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736613153 598514017 /nfs/dbraw/zinc/51/40/17/598514017.db2.gz DVOSRENZVYXCNS-JTQLQIEISA-N -1 3 323.422 2.553 20 0 DFADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736441108 598519914 /nfs/dbraw/zinc/51/99/14/598519914.db2.gz NLXPRTQHEMPHQH-DOMZBBRYSA-N -1 3 313.405 2.955 20 0 DFADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736441108 598519915 /nfs/dbraw/zinc/51/99/15/598519915.db2.gz NLXPRTQHEMPHQH-DOMZBBRYSA-N -1 3 313.405 2.955 20 0 DFADHM CC(=O)Nc1ccc(C)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735484902 598521839 /nfs/dbraw/zinc/52/18/39/598521839.db2.gz POSMYUODCHHUDG-UHFFFAOYSA-N -1 3 322.372 2.746 20 0 DFADHM CC(=O)Nc1ccc(C)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735484902 598521841 /nfs/dbraw/zinc/52/18/41/598521841.db2.gz POSMYUODCHHUDG-UHFFFAOYSA-N -1 3 322.372 2.746 20 0 DFADHM CC1(CNC(=S)Nc2ccccc2-c2nnn[n-]2)CCCC1 ZINC000736217639 598532976 /nfs/dbraw/zinc/53/29/76/598532976.db2.gz ZUAQJQMPKNUUNB-UHFFFAOYSA-N -1 3 316.434 2.733 20 0 DFADHM CC1(CNC(=S)Nc2ccccc2-c2nn[n-]n2)CCCC1 ZINC000736217639 598532977 /nfs/dbraw/zinc/53/29/77/598532977.db2.gz ZUAQJQMPKNUUNB-UHFFFAOYSA-N -1 3 316.434 2.733 20 0 DFADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000735561783 598551016 /nfs/dbraw/zinc/55/10/16/598551016.db2.gz LSFJFVUCDYOIDG-JTQLQIEISA-N -1 3 311.320 2.748 20 0 DFADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000735561783 598551017 /nfs/dbraw/zinc/55/10/17/598551017.db2.gz LSFJFVUCDYOIDG-JTQLQIEISA-N -1 3 311.320 2.748 20 0 DFADHM COCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736979239 598579293 /nfs/dbraw/zinc/57/92/93/598579293.db2.gz PEBGHEPJSIIDKL-MRVPVSSYSA-N -1 3 315.299 2.722 20 0 DFADHM COCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736979239 598579294 /nfs/dbraw/zinc/57/92/94/598579294.db2.gz PEBGHEPJSIIDKL-MRVPVSSYSA-N -1 3 315.299 2.722 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000736691573 598597412 /nfs/dbraw/zinc/59/74/12/598597412.db2.gz XHRQJWKHOCWMHN-UHFFFAOYSA-N -1 3 317.349 2.882 20 0 DFADHM CCc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000736691573 598597414 /nfs/dbraw/zinc/59/74/14/598597414.db2.gz XHRQJWKHOCWMHN-UHFFFAOYSA-N -1 3 317.349 2.882 20 0 DFADHM Fc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737647752 598607147 /nfs/dbraw/zinc/60/71/47/598607147.db2.gz DQLSWYURIFUDKQ-UHFFFAOYSA-N -1 3 308.276 2.723 20 0 DFADHM Fc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737647752 598607149 /nfs/dbraw/zinc/60/71/49/598607149.db2.gz DQLSWYURIFUDKQ-UHFFFAOYSA-N -1 3 308.276 2.723 20 0 DFADHM Fc1ccc(-c2noc(Cc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737652420 598607217 /nfs/dbraw/zinc/60/72/17/598607217.db2.gz UPLZGXZZJRLEQJ-UHFFFAOYSA-N -1 3 322.303 2.647 20 0 DFADHM Fc1ccc(-c2noc(Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737652420 598607218 /nfs/dbraw/zinc/60/72/18/598607218.db2.gz UPLZGXZZJRLEQJ-UHFFFAOYSA-N -1 3 322.303 2.647 20 0 DFADHM CC(C)CCN(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735803939 598628474 /nfs/dbraw/zinc/62/84/74/598628474.db2.gz MKZGZFWICHFNRT-UHFFFAOYSA-N -1 3 306.345 2.516 20 0 DFADHM CC(C)CCN(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735803939 598628475 /nfs/dbraw/zinc/62/84/75/598628475.db2.gz MKZGZFWICHFNRT-UHFFFAOYSA-N -1 3 306.345 2.516 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCc2ccccc21 ZINC000738163163 598631681 /nfs/dbraw/zinc/63/16/81/598631681.db2.gz PBPPCQDCJVCCIV-UHFFFAOYSA-N -1 3 324.319 2.600 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2ccccc21 ZINC000738163163 598631682 /nfs/dbraw/zinc/63/16/82/598631682.db2.gz PBPPCQDCJVCCIV-UHFFFAOYSA-N -1 3 324.319 2.600 20 0 DFADHM CC(C)(C)CCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735601984 598632130 /nfs/dbraw/zinc/63/21/30/598632130.db2.gz JCYOELXBURBXLY-UHFFFAOYSA-N -1 3 306.345 2.564 20 0 DFADHM CC(C)(C)CCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735601984 598632131 /nfs/dbraw/zinc/63/21/31/598632131.db2.gz JCYOELXBURBXLY-UHFFFAOYSA-N -1 3 306.345 2.564 20 0 DFADHM CC[C@H](C)CN(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736321319 598643227 /nfs/dbraw/zinc/64/32/27/598643227.db2.gz BDYHRQHMUOPARE-JTQLQIEISA-N -1 3 304.423 2.541 20 0 DFADHM CC[C@H](C)CN(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736321319 598643229 /nfs/dbraw/zinc/64/32/29/598643229.db2.gz BDYHRQHMUOPARE-JTQLQIEISA-N -1 3 304.423 2.541 20 0 DFADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735750640 598661286 /nfs/dbraw/zinc/66/12/86/598661286.db2.gz RDDKUSRHGOZCJX-LSDHHAIUSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735750640 598661288 /nfs/dbraw/zinc/66/12/88/598661288.db2.gz RDDKUSRHGOZCJX-LSDHHAIUSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735747374 598661590 /nfs/dbraw/zinc/66/15/90/598661590.db2.gz CRPCNVUPSWVBCU-LSDHHAIUSA-N -1 3 313.405 2.811 20 0 DFADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735747374 598661592 /nfs/dbraw/zinc/66/15/92/598661592.db2.gz CRPCNVUPSWVBCU-LSDHHAIUSA-N -1 3 313.405 2.811 20 0 DFADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736300262 598671697 /nfs/dbraw/zinc/67/16/97/598671697.db2.gz WRGKQVYOXVNOFB-BZNIZROVSA-N -1 3 319.368 2.530 20 0 DFADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736300262 598671698 /nfs/dbraw/zinc/67/16/98/598671698.db2.gz WRGKQVYOXVNOFB-BZNIZROVSA-N -1 3 319.368 2.530 20 0 DFADHM Cc1ccsc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737442960 598702893 /nfs/dbraw/zinc/70/28/93/598702893.db2.gz RZXPUJUHSLMEDD-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM Cc1ccsc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737442960 598702894 /nfs/dbraw/zinc/70/28/94/598702894.db2.gz RZXPUJUHSLMEDD-UHFFFAOYSA-N -1 3 318.333 2.733 20 0 DFADHM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000736288790 598707300 /nfs/dbraw/zinc/70/73/00/598707300.db2.gz UIDHHMZBCPKANX-GFCCVEGCSA-N -1 3 307.357 2.654 20 0 DFADHM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000736288790 598707302 /nfs/dbraw/zinc/70/73/02/598707302.db2.gz UIDHHMZBCPKANX-GFCCVEGCSA-N -1 3 307.357 2.654 20 0 DFADHM CCCCCCC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825268402 607365308 /nfs/dbraw/zinc/36/53/08/607365308.db2.gz URHDHYPOYIKDEO-UHFFFAOYSA-N -1 3 316.361 2.563 20 0 DFADHM CCCCCCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825268402 607365310 /nfs/dbraw/zinc/36/53/10/607365310.db2.gz URHDHYPOYIKDEO-UHFFFAOYSA-N -1 3 316.361 2.563 20 0 DFADHM CC(C)COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735838905 598724094 /nfs/dbraw/zinc/72/40/94/598724094.db2.gz KUYLNHDPCLMZNA-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CC(C)COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735838905 598724095 /nfs/dbraw/zinc/72/40/95/598724095.db2.gz KUYLNHDPCLMZNA-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CC(C)(C)/C=C\C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735595205 598726773 /nfs/dbraw/zinc/72/67/73/598726773.db2.gz ZJKSWTURAYBDAF-SREVYHEPSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)(C)/C=C\C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735595205 598726775 /nfs/dbraw/zinc/72/67/75/598726775.db2.gz ZJKSWTURAYBDAF-SREVYHEPSA-N -1 3 304.325 2.651 20 0 DFADHM CC(C)N(C(=O)c1sccc1-c1nnn[n-]1)C1CCCC1 ZINC000735856054 598734655 /nfs/dbraw/zinc/73/46/55/598734655.db2.gz AEEPXTWBRLEMIB-UHFFFAOYSA-N -1 3 305.407 2.721 20 0 DFADHM CC(C)N(C(=O)c1sccc1-c1nn[n-]n1)C1CCCC1 ZINC000735856054 598734657 /nfs/dbraw/zinc/73/46/57/598734657.db2.gz AEEPXTWBRLEMIB-UHFFFAOYSA-N -1 3 305.407 2.721 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@@H]1CCc2ccccc21 ZINC000738190232 598789339 /nfs/dbraw/zinc/78/93/39/598789339.db2.gz BLFLRWZXIADJPQ-CYBMUJFWSA-N -1 3 305.341 2.535 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@@H]1CCc2ccccc21 ZINC000738190232 598789340 /nfs/dbraw/zinc/78/93/40/598789340.db2.gz BLFLRWZXIADJPQ-CYBMUJFWSA-N -1 3 305.341 2.535 20 0 DFADHM Fc1ccc(F)c(OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000737660852 598789524 /nfs/dbraw/zinc/78/95/24/598789524.db2.gz SQDPXMCVDYJAQZ-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM Fc1ccc(F)c(OCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000737660852 598789526 /nfs/dbraw/zinc/78/95/26/598789526.db2.gz SQDPXMCVDYJAQZ-UHFFFAOYSA-N -1 3 306.247 2.863 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000738160833 598792317 /nfs/dbraw/zinc/79/23/17/598792317.db2.gz CRXSTFJDXUPJNQ-ZDUSSCGKSA-N -1 3 323.331 2.674 20 0 DFADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000738160833 598792318 /nfs/dbraw/zinc/79/23/18/598792318.db2.gz CRXSTFJDXUPJNQ-ZDUSSCGKSA-N -1 3 323.331 2.674 20 0 DFADHM COc1cccc(C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737131993 598795721 /nfs/dbraw/zinc/79/57/21/598795721.db2.gz ZPVGAFBEXNWZPW-GFCCVEGCSA-N -1 3 309.373 2.918 20 0 DFADHM C[C@H](OC(=O)C1CCSCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154786 598801298 /nfs/dbraw/zinc/80/12/98/598801298.db2.gz YBHMJOFAZZTXBA-JTQLQIEISA-N -1 3 318.402 2.614 20 0 DFADHM C[C@H](OC(=O)C1CCSCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154786 598801299 /nfs/dbraw/zinc/80/12/99/598801299.db2.gz YBHMJOFAZZTXBA-JTQLQIEISA-N -1 3 318.402 2.614 20 0 DFADHM C[C@H](c1cc(F)ccc1F)N(C)c1ncccc1-c1nnn[n-]1 ZINC000736197176 598814774 /nfs/dbraw/zinc/81/47/74/598814774.db2.gz LJSLCNAKMLRONH-SECBINFHSA-N -1 3 316.315 2.737 20 0 DFADHM C[C@H](c1cc(F)ccc1F)N(C)c1ncccc1-c1nn[n-]n1 ZINC000736197176 598814775 /nfs/dbraw/zinc/81/47/75/598814775.db2.gz LJSLCNAKMLRONH-SECBINFHSA-N -1 3 316.315 2.737 20 0 DFADHM CC[C@H](CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736332997 598816889 /nfs/dbraw/zinc/81/68/89/598816889.db2.gz OZGBCLJIUIKCMH-CQSZACIVSA-N -1 3 315.421 2.897 20 0 DFADHM CC[C@H](CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736332997 598816891 /nfs/dbraw/zinc/81/68/91/598816891.db2.gz OZGBCLJIUIKCMH-CQSZACIVSA-N -1 3 315.421 2.897 20 0 DFADHM Cc1ccc([C@H]2CCCCN2c2ncccc2-c2nnn[n-]2)o1 ZINC000737329393 599296858 /nfs/dbraw/zinc/29/68/58/599296858.db2.gz JLDXANSXXJKJHH-CYBMUJFWSA-N -1 3 310.361 2.895 20 0 DFADHM Cc1ccc([C@H]2CCCCN2c2ncccc2-c2nn[n-]n2)o1 ZINC000737329393 599296860 /nfs/dbraw/zinc/29/68/60/599296860.db2.gz JLDXANSXXJKJHH-CYBMUJFWSA-N -1 3 310.361 2.895 20 0 DFADHM CC(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000735488811 599303046 /nfs/dbraw/zinc/30/30/46/599303046.db2.gz NUDDBCHEVKQWDF-UHFFFAOYSA-N -1 3 311.370 2.976 20 0 DFADHM CC(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000735488811 599303049 /nfs/dbraw/zinc/30/30/49/599303049.db2.gz NUDDBCHEVKQWDF-UHFFFAOYSA-N -1 3 311.370 2.976 20 0 DFADHM CCOCCCSCc1cc(-c2nnn[n-]2)ccc1OC ZINC000821378810 607367797 /nfs/dbraw/zinc/36/77/97/607367797.db2.gz UNJGGHSVPOYFQM-UHFFFAOYSA-N -1 3 308.407 2.535 20 0 DFADHM CCOCCCSCc1cc(-c2nn[n-]n2)ccc1OC ZINC000821378810 607367799 /nfs/dbraw/zinc/36/77/99/607367799.db2.gz UNJGGHSVPOYFQM-UHFFFAOYSA-N -1 3 308.407 2.535 20 0 DFADHM Fc1cccc(NCCCOc2ccccc2)c1-c1nnn[n-]1 ZINC000822792530 599319497 /nfs/dbraw/zinc/31/94/97/599319497.db2.gz ZXDAGFGAZDEFAN-UHFFFAOYSA-N -1 3 313.336 2.887 20 0 DFADHM Fc1cccc(NCCCOc2ccccc2)c1-c1nn[n-]n1 ZINC000822792530 599319500 /nfs/dbraw/zinc/31/95/00/599319500.db2.gz ZXDAGFGAZDEFAN-UHFFFAOYSA-N -1 3 313.336 2.887 20 0 DFADHM Cc1cc(F)ccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737269273 599325499 /nfs/dbraw/zinc/32/54/99/599325499.db2.gz BJUCGBYEBFBSSK-UHFFFAOYSA-N -1 3 313.336 2.805 20 0 DFADHM C[C@H](OCCCNc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000820519534 599326164 /nfs/dbraw/zinc/32/61/64/599326164.db2.gz WAGHWPOLBCEEHH-ZDUSSCGKSA-N -1 3 324.388 2.842 20 0 DFADHM C[C@H](OCCCNc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000820519534 599326165 /nfs/dbraw/zinc/32/61/65/599326165.db2.gz WAGHWPOLBCEEHH-ZDUSSCGKSA-N -1 3 324.388 2.842 20 0 DFADHM Fc1cc(F)cc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737654028 599326789 /nfs/dbraw/zinc/32/67/89/599326789.db2.gz WIEDFQZGCAVNGF-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM Fc1cc(F)cc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737654028 599326790 /nfs/dbraw/zinc/32/67/90/599326790.db2.gz WIEDFQZGCAVNGF-UHFFFAOYSA-N -1 3 317.299 2.636 20 0 DFADHM CCCCNC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736459941 599328636 /nfs/dbraw/zinc/32/86/36/599328636.db2.gz BSSUTHSSICAPPU-NSHDSACASA-N -1 3 319.434 2.577 20 0 DFADHM CCCCNC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736459941 599328638 /nfs/dbraw/zinc/32/86/38/599328638.db2.gz BSSUTHSSICAPPU-NSHDSACASA-N -1 3 319.434 2.577 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736237082 599341550 /nfs/dbraw/zinc/34/15/50/599341550.db2.gz MKOYBEZDJWXLGM-JMSVASOKSA-N -1 3 311.389 2.660 20 0 DFADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736237082 599341552 /nfs/dbraw/zinc/34/15/52/599341552.db2.gz MKOYBEZDJWXLGM-JMSVASOKSA-N -1 3 311.389 2.660 20 0 DFADHM CC(C)c1noc(CSc2ccccc2-c2nnn[n-]2)n1 ZINC000820211434 599349367 /nfs/dbraw/zinc/34/93/67/599349367.db2.gz MRSHNWPGGNJDSU-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CC(C)c1noc(CSc2ccccc2-c2nn[n-]n2)n1 ZINC000820211434 599349370 /nfs/dbraw/zinc/34/93/70/599349370.db2.gz MRSHNWPGGNJDSU-UHFFFAOYSA-N -1 3 302.363 2.665 20 0 DFADHM CC(=O)Nc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819817450 599359975 /nfs/dbraw/zinc/35/99/75/599359975.db2.gz HERUSQUDLLRARA-LLVKDONJSA-N -1 3 322.372 2.998 20 0 DFADHM CC(=O)Nc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819817450 599359977 /nfs/dbraw/zinc/35/99/77/599359977.db2.gz HERUSQUDLLRARA-LLVKDONJSA-N -1 3 322.372 2.998 20 0 DFADHM CSCCCC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737184294 599372723 /nfs/dbraw/zinc/37/27/23/599372723.db2.gz XAYILTPXNCPVIH-UHFFFAOYSA-N -1 3 311.798 2.602 20 0 DFADHM CSCCCC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737184294 599372725 /nfs/dbraw/zinc/37/27/25/599372725.db2.gz XAYILTPXNCPVIH-UHFFFAOYSA-N -1 3 311.798 2.602 20 0 DFADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nccs1 ZINC000820412988 599374950 /nfs/dbraw/zinc/37/49/50/599374950.db2.gz NUINCTXZZQYDMU-UWVGGRQHSA-N -1 3 300.391 2.735 20 0 DFADHM Cc1nc(COc2c(C)cc(-c3nn[n-]n3)cc2C)cs1 ZINC000822444457 599387275 /nfs/dbraw/zinc/38/72/75/599387275.db2.gz RTHCCOLTINQMDY-UHFFFAOYSA-N -1 3 301.375 2.827 20 0 DFADHM Cc1ncc(COc2c(C)cc(-c3nn[n-]n3)cc2C)s1 ZINC000822472074 599389577 /nfs/dbraw/zinc/38/95/77/599389577.db2.gz OBMCWJHOLCVOFQ-UHFFFAOYSA-N -1 3 301.375 2.827 20 0 DFADHM C[C@@H](NCc1coc(C2CC2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820438942 599393577 /nfs/dbraw/zinc/39/35/77/599393577.db2.gz ZYWZWQXLPBDMOK-SNVBAGLBSA-N -1 3 310.361 2.583 20 0 DFADHM CCc1nc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821509326 599395319 /nfs/dbraw/zinc/39/53/19/599395319.db2.gz FXMRBPTYDKSTPY-SNVBAGLBSA-N -1 3 314.418 2.736 20 0 DFADHM Cc1cc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)c(C)s1 ZINC000822191746 599399747 /nfs/dbraw/zinc/39/97/47/599399747.db2.gz PMGHIZHIWNYISI-VIFPVBQESA-N -1 3 303.391 2.989 20 0 DFADHM CCCCOCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736463998 599418453 /nfs/dbraw/zinc/41/84/53/599418453.db2.gz VFXXAMHWGCDGJJ-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM CCCCOCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736463998 599418455 /nfs/dbraw/zinc/41/84/55/599418455.db2.gz VFXXAMHWGCDGJJ-UHFFFAOYSA-N -1 3 312.377 2.644 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccccc1C(C)=O ZINC000821749370 607376034 /nfs/dbraw/zinc/37/60/34/607376034.db2.gz IVDKYGRLNBSYAD-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM Cc1cccnc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737432686 599429606 /nfs/dbraw/zinc/42/96/06/599429606.db2.gz BTBDJMJRILHIPH-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM Cc1cccnc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737432686 599429608 /nfs/dbraw/zinc/42/96/08/599429608.db2.gz BTBDJMJRILHIPH-UHFFFAOYSA-N -1 3 300.753 2.836 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1COc1c(F)cccc1F ZINC000821749387 607377744 /nfs/dbraw/zinc/37/77/44/607377744.db2.gz JLTUQHFKNYQSEJ-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1COc1c(F)cccc1F ZINC000821749387 607377746 /nfs/dbraw/zinc/37/77/46/607377746.db2.gz JLTUQHFKNYQSEJ-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM CC(C)OC1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000735895152 599433670 /nfs/dbraw/zinc/43/36/70/599433670.db2.gz QDAAEJGJPICBNR-UHFFFAOYSA-N -1 3 321.812 2.914 20 0 DFADHM CC(C)OC1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000735895152 599433671 /nfs/dbraw/zinc/43/36/71/599433671.db2.gz QDAAEJGJPICBNR-UHFFFAOYSA-N -1 3 321.812 2.914 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccccc1O ZINC000821752887 607379427 /nfs/dbraw/zinc/37/94/27/607379427.db2.gz UNVQECGLFLKWCW-UHFFFAOYSA-N -1 3 314.370 2.873 20 0 DFADHM CO[C@H](CNc1nc(C)cc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000821679032 599469990 /nfs/dbraw/zinc/46/99/90/599469990.db2.gz WHIGTPPZPSJKKD-CQSZACIVSA-N -1 3 324.388 2.678 20 0 DFADHM CO[C@H](CNc1nc(C)cc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000821679032 599469992 /nfs/dbraw/zinc/46/99/92/599469992.db2.gz WHIGTPPZPSJKKD-CQSZACIVSA-N -1 3 324.388 2.678 20 0 DFADHM C[C@@H](NC(=O)N1CCCC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820351105 599470240 /nfs/dbraw/zinc/47/02/40/599470240.db2.gz MODBVYDNEYHMTH-VXGBXAGGSA-N -1 3 314.393 2.512 20 0 DFADHM C[C@@H](NC(=O)N1CCCC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820351105 599470241 /nfs/dbraw/zinc/47/02/41/599470241.db2.gz MODBVYDNEYHMTH-VXGBXAGGSA-N -1 3 314.393 2.512 20 0 DFADHM CCc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000736697475 599486793 /nfs/dbraw/zinc/48/67/93/599486793.db2.gz GFKZPESNSQOCHR-UHFFFAOYSA-N -1 3 319.372 2.689 20 0 DFADHM CCc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000736697475 599486794 /nfs/dbraw/zinc/48/67/94/599486794.db2.gz GFKZPESNSQOCHR-UHFFFAOYSA-N -1 3 319.372 2.689 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCC(C)(C)C ZINC000822204071 599493674 /nfs/dbraw/zinc/49/36/74/599493674.db2.gz CFILCUCJOVFTMY-UHFFFAOYSA-N -1 3 314.368 2.742 20 0 DFADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCC(C)(C)C ZINC000822204071 599493677 /nfs/dbraw/zinc/49/36/77/599493677.db2.gz CFILCUCJOVFTMY-UHFFFAOYSA-N -1 3 314.368 2.742 20 0 DFADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2NC[C@H]1CC=CCC1 ZINC000819719050 599496924 /nfs/dbraw/zinc/49/69/24/599496924.db2.gz XVBCVMHWNFPPRN-LBPRGKRZSA-N -1 3 306.373 2.605 20 0 DFADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2NC[C@H]1CC=CCC1 ZINC000819719050 599496925 /nfs/dbraw/zinc/49/69/25/599496925.db2.gz XVBCVMHWNFPPRN-LBPRGKRZSA-N -1 3 306.373 2.605 20 0 DFADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@H]1CC=CCC1 ZINC000822334746 599498257 /nfs/dbraw/zinc/49/82/57/599498257.db2.gz FTZLGEDULJIOFK-ZDUSSCGKSA-N -1 3 320.400 2.913 20 0 DFADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@H]1CC=CCC1 ZINC000822334746 599498260 /nfs/dbraw/zinc/49/82/60/599498260.db2.gz FTZLGEDULJIOFK-ZDUSSCGKSA-N -1 3 320.400 2.913 20 0 DFADHM O[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)C1CCCCC1 ZINC000823689304 599522793 /nfs/dbraw/zinc/52/27/93/599522793.db2.gz DGUZZFWQWJEGOH-CYBMUJFWSA-N -1 3 321.812 2.873 20 0 DFADHM O[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)C1CCCCC1 ZINC000823689304 599522796 /nfs/dbraw/zinc/52/27/96/599522796.db2.gz DGUZZFWQWJEGOH-CYBMUJFWSA-N -1 3 321.812 2.873 20 0 DFADHM Cc1cccc(CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822299411 599535180 /nfs/dbraw/zinc/53/51/80/599535180.db2.gz IEVQZGHAWCMACJ-CYBMUJFWSA-N -1 3 321.384 2.595 20 0 DFADHM Cc1cccc(CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822299411 599535183 /nfs/dbraw/zinc/53/51/83/599535183.db2.gz IEVQZGHAWCMACJ-CYBMUJFWSA-N -1 3 321.384 2.595 20 0 DFADHM C[C@@H]1CC[C@@H](C)N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820683498 599546997 /nfs/dbraw/zinc/54/69/97/599546997.db2.gz BZJZRSKLXCJOJA-WGVUZWOWSA-N -1 3 311.389 2.527 20 0 DFADHM C[C@@H]1CC[C@@H](C)N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820683498 599546998 /nfs/dbraw/zinc/54/69/98/599546998.db2.gz BZJZRSKLXCJOJA-WGVUZWOWSA-N -1 3 311.389 2.527 20 0 DFADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736335596 599548016 /nfs/dbraw/zinc/54/80/16/599548016.db2.gz ZBYGBVLILKYCBW-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736335596 599548018 /nfs/dbraw/zinc/54/80/18/599548018.db2.gz ZBYGBVLILKYCBW-WFASDCNBSA-N -1 3 313.405 2.908 20 0 DFADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736333772 599548080 /nfs/dbraw/zinc/54/80/80/599548080.db2.gz VAJYRNBDTCLTRD-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736333772 599548083 /nfs/dbraw/zinc/54/80/83/599548083.db2.gz VAJYRNBDTCLTRD-ZYHUDNBSSA-N -1 3 319.434 2.969 20 0 DFADHM Cc1ncc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000822467155 607383655 /nfs/dbraw/zinc/38/36/55/607383655.db2.gz ITLLMIJYWZNIGL-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM Cc1ncc(CCNc2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000822467155 607383658 /nfs/dbraw/zinc/38/36/58/607383658.db2.gz ITLLMIJYWZNIGL-UHFFFAOYSA-N -1 3 320.809 2.940 20 0 DFADHM CC(C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735887956 599561766 /nfs/dbraw/zinc/56/17/66/599561766.db2.gz GLAUXRBVHKTJAW-UHFFFAOYSA-N -1 3 322.372 2.749 20 0 DFADHM CS[C@H]1CCCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821956243 607385755 /nfs/dbraw/zinc/38/57/55/607385755.db2.gz KRCVECMEKRRBQB-JTQLQIEISA-N -1 3 324.841 2.637 20 0 DFADHM CS[C@H]1CCCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821956243 607385756 /nfs/dbraw/zinc/38/57/56/607385756.db2.gz KRCVECMEKRRBQB-JTQLQIEISA-N -1 3 324.841 2.637 20 0 DFADHM CC(C)(C)CCC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735604336 599606693 /nfs/dbraw/zinc/60/66/93/599606693.db2.gz VHBKMSKHGYAKHO-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM CC(C)(C)CCC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735604336 599606694 /nfs/dbraw/zinc/60/66/94/599606694.db2.gz VHBKMSKHGYAKHO-UHFFFAOYSA-N -1 3 318.377 2.615 20 0 DFADHM C[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000735572094 599607010 /nfs/dbraw/zinc/60/70/10/599607010.db2.gz RDDPLMAPMMXBFD-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM C[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000735572094 599607013 /nfs/dbraw/zinc/60/70/13/599607013.db2.gz RDDPLMAPMMXBFD-JTQLQIEISA-N -1 3 314.370 2.775 20 0 DFADHM Cc1cc(F)cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822203079 599624048 /nfs/dbraw/zinc/62/40/48/599624048.db2.gz CZDGPLATHGOAHM-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1cc(F)cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822203079 599624049 /nfs/dbraw/zinc/62/40/49/599624049.db2.gz CZDGPLATHGOAHM-UHFFFAOYSA-N -1 3 312.304 2.671 20 0 DFADHM Cc1sc(NC(=O)CCC(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000822558324 599628670 /nfs/dbraw/zinc/62/86/70/599628670.db2.gz ONLUZJPXQLXWKS-UHFFFAOYSA-N -1 3 319.312 2.826 20 0 DFADHM Cc1sc(NC(=O)CCC(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000822558324 599628671 /nfs/dbraw/zinc/62/86/71/599628671.db2.gz ONLUZJPXQLXWKS-UHFFFAOYSA-N -1 3 319.312 2.826 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000819864992 599629270 /nfs/dbraw/zinc/62/92/70/599629270.db2.gz BQZPRYLXYMYHMI-YFKPBYRVSA-N -1 3 319.674 2.657 20 0 DFADHM C[C@@H](C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000819864992 599629271 /nfs/dbraw/zinc/62/92/71/599629271.db2.gz BQZPRYLXYMYHMI-YFKPBYRVSA-N -1 3 319.674 2.657 20 0 DFADHM Cc1ccc([C@H](C)C(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000822227347 599629593 /nfs/dbraw/zinc/62/95/93/599629593.db2.gz FTFGOMLOLHUXEA-QMMMGPOBSA-N -1 3 303.347 2.572 20 0 DFADHM Cc1ccc([C@H](C)C(=O)Nc2sccc2-c2nn[n-]n2)o1 ZINC000822227347 599629594 /nfs/dbraw/zinc/62/95/94/599629594.db2.gz FTFGOMLOLHUXEA-QMMMGPOBSA-N -1 3 303.347 2.572 20 0 DFADHM Cc1cc(F)cc(C(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000822203414 599629674 /nfs/dbraw/zinc/62/96/74/599629674.db2.gz SMYPASHUNKYFJE-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cc(F)cc(C(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000822203414 599629675 /nfs/dbraw/zinc/62/96/75/599629675.db2.gz SMYPASHUNKYFJE-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(C)cccc1C ZINC000821765567 599630837 /nfs/dbraw/zinc/63/08/37/599630837.db2.gz GMBNKLRLGLDFEY-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(C)cccc1C ZINC000821765567 599630838 /nfs/dbraw/zinc/63/08/38/599630838.db2.gz GMBNKLRLGLDFEY-UHFFFAOYSA-N -1 3 323.356 2.744 20 0 DFADHM CC[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820862137 599633574 /nfs/dbraw/zinc/63/35/74/599633574.db2.gz PCXGADVMXDUEKL-ZETCQYMHSA-N -1 3 313.283 2.870 20 0 DFADHM CC[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820862137 599633575 /nfs/dbraw/zinc/63/35/75/599633575.db2.gz PCXGADVMXDUEKL-ZETCQYMHSA-N -1 3 313.283 2.870 20 0 DFADHM CCC(C)(C)CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820848367 599648071 /nfs/dbraw/zinc/64/80/71/599648071.db2.gz WEINMAFUSWRVNL-LLVKDONJSA-N -1 3 301.394 2.870 20 0 DFADHM CCC(C)(C)CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820848367 599648070 /nfs/dbraw/zinc/64/80/70/599648070.db2.gz WEINMAFUSWRVNL-LLVKDONJSA-N -1 3 301.394 2.870 20 0 DFADHM CCCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000821081828 599681334 /nfs/dbraw/zinc/68/13/34/599681334.db2.gz AZTPYVVWIKLCBL-NSHDSACASA-N -1 3 314.393 2.512 20 0 DFADHM CCCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000821081828 599681335 /nfs/dbraw/zinc/68/13/35/599681335.db2.gz AZTPYVVWIKLCBL-NSHDSACASA-N -1 3 314.393 2.512 20 0 DFADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCN(C2CCCC2)CC1 ZINC000739518574 599711481 /nfs/dbraw/zinc/71/14/81/599711481.db2.gz UOEVEYYNLBHNGP-MRXNPFEDSA-N -1 3 306.381 2.512 20 0 DFADHM CC(C)C[C@@H](NC(=O)CN(C)CCC1CCCCC1)C(=O)[O-] ZINC000736412646 599719988 /nfs/dbraw/zinc/71/99/88/599719988.db2.gz OTMXLAGJYKSOCS-OAHLLOKOSA-N -1 3 312.454 2.504 20 0 DFADHM COC(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737692181 599842143 /nfs/dbraw/zinc/84/21/43/599842143.db2.gz WRTOONLSEMKTQG-HNNXBMFYSA-N -1 3 317.316 2.528 20 0 DFADHM O=C([O-])c1coc(CN2CCCN(Cc3ccccc3)CC2)c1 ZINC000323659982 599845854 /nfs/dbraw/zinc/84/58/54/599845854.db2.gz ALJKKVSPUBCTFR-UHFFFAOYSA-N -1 3 314.385 2.686 20 0 DFADHM Cc1cncc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822399244 607405729 /nfs/dbraw/zinc/40/57/29/607405729.db2.gz DBAPKQPUAIRRQZ-SREVYHEPSA-N -1 3 320.356 2.530 20 0 DFADHM CC(C)Oc1ccc(NC(=O)C2CC(C)C2)cc1-c1nnn[n-]1 ZINC000820648476 607401021 /nfs/dbraw/zinc/40/10/21/607401021.db2.gz AGEUIPKOCITSCX-UHFFFAOYSA-N -1 3 315.377 2.639 20 0 DFADHM CC(C)Oc1ccc(NC(=O)C2CC(C)C2)cc1-c1nn[n-]n1 ZINC000820648476 607401023 /nfs/dbraw/zinc/40/10/23/607401023.db2.gz AGEUIPKOCITSCX-UHFFFAOYSA-N -1 3 315.377 2.639 20 0 DFADHM Cc1cncc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822399244 607405732 /nfs/dbraw/zinc/40/57/32/607405732.db2.gz DBAPKQPUAIRRQZ-SREVYHEPSA-N -1 3 320.356 2.530 20 0 DFADHM CN(C)Cc1cccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000737371008 600011244 /nfs/dbraw/zinc/01/12/44/600011244.db2.gz VSHVIHWWFQKVLS-UHFFFAOYSA-N -1 3 319.405 2.513 20 0 DFADHM CCCCCCC(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000821048667 607412893 /nfs/dbraw/zinc/41/28/93/607412893.db2.gz FHCXGUPEPDCNDM-UHFFFAOYSA-N -1 3 318.377 2.889 20 0 DFADHM CCCCCCC(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000821048667 607412894 /nfs/dbraw/zinc/41/28/94/607412894.db2.gz FHCXGUPEPDCNDM-UHFFFAOYSA-N -1 3 318.377 2.889 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824899868 607426918 /nfs/dbraw/zinc/42/69/18/607426918.db2.gz PPBAKLAQCFRMIV-IXJPEXDMSA-N -1 3 323.400 2.718 20 0 DFADHM C[C@H]1CC/C(=C/C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000824899868 607426919 /nfs/dbraw/zinc/42/69/19/607426919.db2.gz PPBAKLAQCFRMIV-IXJPEXDMSA-N -1 3 323.400 2.718 20 0 DFADHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000826258044 607432320 /nfs/dbraw/zinc/43/23/20/607432320.db2.gz XONOSIFSLUIAQT-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000826258044 607432321 /nfs/dbraw/zinc/43/23/21/607432321.db2.gz XONOSIFSLUIAQT-UHFFFAOYSA-N -1 3 313.386 2.822 20 0 DFADHM CC(C)[C@H]1CCCCN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736394156 600321777 /nfs/dbraw/zinc/32/17/77/600321777.db2.gz GUCFHQLPHRJEAW-OAHLLOKOSA-N -1 3 304.390 2.834 20 0 DFADHM CC(C)C[C@@H](NC(=O)CN1CCCC2(CCCCC2)C1)C(=O)[O-] ZINC000736412360 600338007 /nfs/dbraw/zinc/33/80/07/600338007.db2.gz MSFYIHCDGHINCM-OAHLLOKOSA-N -1 3 324.465 2.648 20 0 DFADHM CN(C(=O)c1cccc2c1CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830198 607438866 /nfs/dbraw/zinc/43/88/66/607438866.db2.gz NVJCTNLHSGDNCE-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM CN(C(=O)c1cccc2c1CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830198 607438868 /nfs/dbraw/zinc/43/88/68/607438868.db2.gz NVJCTNLHSGDNCE-UHFFFAOYSA-N -1 3 319.368 2.632 20 0 DFADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000737267017 600370882 /nfs/dbraw/zinc/37/08/82/600370882.db2.gz LDTNMLXBVYVULK-QWHCGFSZSA-N -1 3 320.433 2.791 20 0 DFADHM C[C@H](CN(C)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263115779 600375908 /nfs/dbraw/zinc/37/59/08/600375908.db2.gz BYBOLWRMKRDPLW-CHWSQXEVSA-N -1 3 320.433 2.964 20 0 DFADHM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823942514 607440941 /nfs/dbraw/zinc/44/09/41/607440941.db2.gz DZDBHIRIFJZAOS-OUKQBFOZSA-N -1 3 319.368 2.933 20 0 DFADHM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823942514 607440943 /nfs/dbraw/zinc/44/09/43/607440943.db2.gz DZDBHIRIFJZAOS-OUKQBFOZSA-N -1 3 319.368 2.933 20 0 DFADHM CC[C@@](C)(NCc1coc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC000736862714 600560396 /nfs/dbraw/zinc/56/03/96/600560396.db2.gz DUGIREBVSJQUJA-MRXNPFEDSA-N -1 3 304.346 2.693 20 0 DFADHM CC[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1C)N(CC)CC ZINC000736850595 600565485 /nfs/dbraw/zinc/56/54/85/600565485.db2.gz XGKAWUANJMPCEU-HNNXBMFYSA-N -1 3 322.405 2.517 20 0 DFADHM C[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)N1CCCCCC1 ZINC000736201866 600594234 /nfs/dbraw/zinc/59/42/34/600594234.db2.gz KPHPYZHPHCHRRN-GDBMZVCRSA-N -1 3 318.417 2.535 20 0 DFADHM CN(C(=O)CN1CCC[C@@H]2CCC[C@@H]21)c1ccccc1C(=O)[O-] ZINC000830485409 600833514 /nfs/dbraw/zinc/83/35/14/600833514.db2.gz FLIQQIVRSJPFPM-ZFWWWQNUSA-N -1 3 316.401 2.612 20 0 DFADHM CN(C)Cc1ccccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000320680172 600887714 /nfs/dbraw/zinc/88/77/14/600887714.db2.gz LBRYXYOYLRTAOC-OLZOCXBDSA-N -1 3 304.390 2.578 20 0 DFADHM O=C([O-])c1ccc(NC(=O)CN2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000833105185 601017342 /nfs/dbraw/zinc/01/73/42/601017342.db2.gz JJOHJZLQCMSCMU-WFASDCNBSA-N -1 3 302.374 2.588 20 0 DFADHM COC[C@@](C)(CC(=O)[O-])NCc1c(Cl)ccc2cccnc21 ZINC000831578202 601135340 /nfs/dbraw/zinc/13/53/40/601135340.db2.gz MFFLUGHXVNXSOT-MRXNPFEDSA-N -1 3 322.792 2.858 20 0 DFADHM C/C(=C/CN1CCC(Oc2ccc(F)cc2F)CC1)C(=O)[O-] ZINC000825733536 601157639 /nfs/dbraw/zinc/15/76/39/601157639.db2.gz BZUAQFUEBQLEFQ-WCIBSUBMSA-N -1 3 311.328 2.839 20 0 DFADHM CCCCCCOCCOC(=O)c1sccc1-c1nnn[n-]1 ZINC000821056653 607498633 /nfs/dbraw/zinc/49/86/33/607498633.db2.gz VRXZCNWENMDXMJ-UHFFFAOYSA-N -1 3 324.406 2.682 20 0 DFADHM c1coc([C@@H]2CCCCN2Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826526026 607502691 /nfs/dbraw/zinc/50/26/91/607502691.db2.gz IIANOVAPXGTGIU-AWEZNQCLSA-N -1 3 310.361 2.582 20 0 DFADHM CCc1oc(C(=O)[O-])cc1CN1C[C@H]2CCCCN2C[C@H]1C ZINC000830363645 601419679 /nfs/dbraw/zinc/41/96/79/601419679.db2.gz WMSYLJURKNXFLW-TZMCWYRMSA-N -1 3 306.406 2.599 20 0 DFADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@@H]2CCCC[C@H]2C1 ZINC000832916951 601425746 /nfs/dbraw/zinc/42/57/46/601425746.db2.gz UFPYBTQTSGCJCT-GJZGRUSLSA-N -1 3 316.401 2.754 20 0 DFADHM CC(C)c1ccccc1NC(=O)[C@H](C)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000827134112 601502685 /nfs/dbraw/zinc/50/26/85/601502685.db2.gz DUMUPBYRWLEEJE-KCQAQPDRSA-N -1 3 318.417 2.790 20 0 DFADHM COc1ccc(-c2nc(CN3C[C@H](C(=O)[O-])[C@H](C)C3)co2)cc1 ZINC000832130111 601524434 /nfs/dbraw/zinc/52/44/34/601524434.db2.gz ZGMLLKVCHJDQEW-ABAIWWIYSA-N -1 3 316.357 2.503 20 0 DFADHM COC(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC000820684926 601628262 /nfs/dbraw/zinc/62/82/62/601628262.db2.gz GGWWKELVRNTMFG-HNNXBMFYSA-N -1 3 317.316 2.528 20 0 DFADHM CCC(CC)(CC(=O)[O-])NCc1nc(-c2ccsc2)no1 ZINC000828804716 601633932 /nfs/dbraw/zinc/63/39/32/601633932.db2.gz QTFXJVKKVUIYCX-UHFFFAOYSA-N -1 3 309.391 2.921 20 0 DFADHM COC(=O)c1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(C)s1 ZINC000831249058 601638073 /nfs/dbraw/zinc/63/80/73/601638073.db2.gz UQNFJSQFVMTJLL-GFCCVEGCSA-N -1 3 323.414 2.530 20 0 DFADHM Cc1nccc([C@@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)n1 ZINC000833009666 601809905 /nfs/dbraw/zinc/80/99/05/601809905.db2.gz NSDDAYHSOKRKKH-GFCCVEGCSA-N -1 3 317.414 2.924 20 0 DFADHM C[C@@H](O)CN(Cc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC000827795845 601831270 /nfs/dbraw/zinc/83/12/70/601831270.db2.gz DSVZUUWCCQBFPH-GFCCVEGCSA-N -1 3 305.399 2.829 20 0 DFADHM C[C@H](O)CN(Cc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC000827795846 601831368 /nfs/dbraw/zinc/83/13/68/601831368.db2.gz DSVZUUWCCQBFPH-LBPRGKRZSA-N -1 3 305.399 2.829 20 0 DFADHM O=C([O-])CCC1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000833224513 601842688 /nfs/dbraw/zinc/84/26/88/601842688.db2.gz UVKJCLGZGUHMAT-OAHLLOKOSA-N -1 3 311.809 2.950 20 0 DFADHM COC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000831453304 601850805 /nfs/dbraw/zinc/85/08/05/601850805.db2.gz MWXFXDONCVZKOZ-OAHLLOKOSA-N -1 3 317.316 2.528 20 0 DFADHM c1csc(CSCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826526774 607533099 /nfs/dbraw/zinc/53/30/99/607533099.db2.gz MEGAIVQNXFWTKT-UHFFFAOYSA-N -1 3 319.415 2.635 20 0 DFADHM O=C([O-])NC[C@@H]1CCN(Cc2ccc(Cl)c3cccnc23)C1 ZINC000740645811 601940387 /nfs/dbraw/zinc/94/03/87/601940387.db2.gz ZWCNWFDSLVFUEG-NSHDSACASA-N -1 3 319.792 2.978 20 0 DFADHM Cc1nccc([C@@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)n1 ZINC000833009644 601945762 /nfs/dbraw/zinc/94/57/62/601945762.db2.gz MKMSHSNZHDFCPQ-GFCCVEGCSA-N -1 3 317.414 2.924 20 0 DFADHM CN1CCN(Cc2ccc(C(=O)[O-])s2)Cc2ccccc21 ZINC000830954699 601950019 /nfs/dbraw/zinc/95/00/19/601950019.db2.gz GBYSODIYNLKPNW-UHFFFAOYSA-N -1 3 302.399 2.898 20 0 DFADHM COc1ccc(COc2ccccc2C(C)=O)cc1-c1nnn[n-]1 ZINC000826207686 607540484 /nfs/dbraw/zinc/54/04/84/607540484.db2.gz YDHFXINIYZPURI-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM COc1ccc(COc2ccccc2C(C)=O)cc1-c1nn[n-]n1 ZINC000826207686 607540485 /nfs/dbraw/zinc/54/04/85/607540485.db2.gz YDHFXINIYZPURI-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM COc1cc(OC)cc([C@@H](NCc2ccc(F)cc2)C(=O)[O-])c1 ZINC000832057985 602164192 /nfs/dbraw/zinc/16/41/92/602164192.db2.gz TXHPUYXTSDXRGO-MRXNPFEDSA-N -1 3 319.332 2.758 20 0 DFADHM CC[C@@](C)(CC(=O)[O-])NCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000828665349 602216832 /nfs/dbraw/zinc/21/68/32/602216832.db2.gz RGPBCBOCSSVGJF-HNNXBMFYSA-N -1 3 322.796 2.654 20 0 DFADHM COc1ccc(C)cc1CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739890567 602450465 /nfs/dbraw/zinc/45/04/65/602450465.db2.gz FOXHQMOIAMPIJI-ZDUSSCGKSA-N -1 3 306.406 2.872 20 0 DFADHM CN(C(=O)[O-])C1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000737938508 602537457 /nfs/dbraw/zinc/53/74/57/602537457.db2.gz ZAYNKPQEUHIPBP-UHFFFAOYSA-N -1 3 314.332 2.862 20 0 DFADHM CN(C[C@H]1CCN(CCOc2ccccc2Cl)C1)C(=O)[O-] ZINC000739665771 602540274 /nfs/dbraw/zinc/54/02/74/602540274.db2.gz QKYGBFNVOVMWAY-GFCCVEGCSA-N -1 3 312.797 2.651 20 0 DFADHM CCn1cncc1[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739570937 602704765 /nfs/dbraw/zinc/70/47/65/602704765.db2.gz VOAVEMJNVFWHAN-CABCVRRESA-N -1 3 320.437 2.820 20 0 DFADHM Cc1ccc(NC(=O)C[C@@H]2CCCN2C(=O)[O-])c(CN(C)C)c1 ZINC000830363015 602934937 /nfs/dbraw/zinc/93/49/37/602934937.db2.gz CNCWIEVTFCVIRN-AWEZNQCLSA-N -1 3 319.405 2.528 20 0 DFADHM CCC[C@H](C)CC(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825232790 607603513 /nfs/dbraw/zinc/60/35/13/607603513.db2.gz KJTOUAKAPIDZEM-NSHDSACASA-N -1 3 318.377 2.745 20 0 DFADHM CCC[C@H](C)CC(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825232790 607603515 /nfs/dbraw/zinc/60/35/15/607603515.db2.gz KJTOUAKAPIDZEM-NSHDSACASA-N -1 3 318.377 2.745 20 0 DFADHM COc1ccc(COC(=O)[C@H](C)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826204423 607607017 /nfs/dbraw/zinc/60/70/17/607607017.db2.gz KOPWZQAOAGYZRK-JTQLQIEISA-N -1 3 318.377 2.601 20 0 DFADHM COc1ccc(COC(=O)[C@H](C)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826204423 607607020 /nfs/dbraw/zinc/60/70/20/607607020.db2.gz KOPWZQAOAGYZRK-JTQLQIEISA-N -1 3 318.377 2.601 20 0 DFADHM CN(CCCNC(=O)[O-])Cc1cc(Br)cs1 ZINC000739682397 603254089 /nfs/dbraw/zinc/25/40/89/603254089.db2.gz NXVFFIMDVCGQFR-UHFFFAOYSA-N -1 3 307.213 2.600 20 0 DFADHM COc1cc(CN(C)[C@H]2CCN(C(=O)[O-])C2)ccc1SC ZINC000829114993 603501974 /nfs/dbraw/zinc/50/19/74/603501974.db2.gz DSYNEHCIEFKATI-LBPRGKRZSA-N -1 3 310.419 2.601 20 0 DFADHM O=C([O-])Nc1ccc(CNC[C@H]2OCCc3ccccc32)cn1 ZINC000832842238 603553723 /nfs/dbraw/zinc/55/37/23/603553723.db2.gz RQUSDVNEKNSNDS-OAHLLOKOSA-N -1 3 313.357 2.575 20 0 DFADHM CC(C)CN(Cc1ccncc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824262042 607644161 /nfs/dbraw/zinc/64/41/61/607644161.db2.gz UTRDREZSQIOYCB-UHFFFAOYSA-N -1 3 308.389 2.924 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826287462 607650805 /nfs/dbraw/zinc/65/08/05/607650805.db2.gz PVXSIDDAFMHWRC-UHFFFAOYSA-N -1 3 321.384 2.756 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826287462 607650806 /nfs/dbraw/zinc/65/08/06/607650806.db2.gz PVXSIDDAFMHWRC-UHFFFAOYSA-N -1 3 321.384 2.756 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000826250105 607656272 /nfs/dbraw/zinc/65/62/72/607656272.db2.gz KZZQBSPPELURQQ-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000826250105 607656274 /nfs/dbraw/zinc/65/62/74/607656274.db2.gz KZZQBSPPELURQQ-UHFFFAOYSA-N -1 3 318.340 2.909 20 0 DFADHM CCc1noc(C)c1CN1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000827662428 603900967 /nfs/dbraw/zinc/90/09/67/603900967.db2.gz DIJWYFNJEKEYCF-CZUORRHYSA-N -1 3 321.421 2.900 20 0 DFADHM CCC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000825191949 607659426 /nfs/dbraw/zinc/65/94/26/607659426.db2.gz DUNSZFHNPZZUCX-UHFFFAOYSA-N -1 3 313.405 2.874 20 0 DFADHM CCC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825191949 607659429 /nfs/dbraw/zinc/65/94/29/607659429.db2.gz DUNSZFHNPZZUCX-UHFFFAOYSA-N -1 3 313.405 2.874 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000826243302 607659985 /nfs/dbraw/zinc/65/99/85/607659985.db2.gz CAOQDSJPEVBPFG-NSHDSACASA-N -1 3 301.394 2.682 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000826243302 607659987 /nfs/dbraw/zinc/65/99/87/607659987.db2.gz CAOQDSJPEVBPFG-NSHDSACASA-N -1 3 301.394 2.682 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000826243700 607660376 /nfs/dbraw/zinc/66/03/76/607660376.db2.gz 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ZINC000826321210 607674009 /nfs/dbraw/zinc/67/40/09/607674009.db2.gz VJVCXMXIGCLSQX-UHFFFAOYSA-N -1 3 300.347 2.881 20 0 DFADHM O=C([O-])N1CCC(NCc2cc(-c3ccccc3)on2)CC1 ZINC000831958505 604188756 /nfs/dbraw/zinc/18/87/56/604188756.db2.gz JEIAGEUIQNMXFU-UHFFFAOYSA-N -1 3 301.346 2.574 20 0 DFADHM Cc1nc2ccccn2c1CN1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000830791718 604320045 /nfs/dbraw/zinc/32/00/45/604320045.db2.gz AJDALNZEEJUZSR-GFCCVEGCSA-N -1 3 316.405 2.511 20 0 DFADHM C[C@@H]1CN(CCOc2cccc(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000826058514 604348105 /nfs/dbraw/zinc/34/81/05/604348105.db2.gz PDBQEYXVOVLNRE-RISCZKNCSA-N -1 3 312.797 2.697 20 0 DFADHM O=C([O-])CCC1CCN(Cc2cccc3nsnc32)CC1 ZINC000833225881 604350995 /nfs/dbraw/zinc/35/09/95/604350995.db2.gz RSUKKYAVRVMKRW-UHFFFAOYSA-N -1 3 305.403 2.768 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1Cc2ccccc2[C@@H]1C ZINC000826245913 607700504 /nfs/dbraw/zinc/70/05/04/607700504.db2.gz MBSFVZOSDOMGPQ-LBPRGKRZSA-N -1 3 319.368 2.892 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1Cc2ccccc2[C@@H]1C ZINC000826245913 607700506 /nfs/dbraw/zinc/70/05/06/607700506.db2.gz MBSFVZOSDOMGPQ-LBPRGKRZSA-N -1 3 319.368 2.892 20 0 DFADHM CCn1cc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cn1 ZINC000833682913 604538319 /nfs/dbraw/zinc/53/83/19/604538319.db2.gz XUEKSCBHGJJOAA-CQSZACIVSA-N -1 3 301.390 2.626 20 0 DFADHM CCCC1(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)CCC1 ZINC000825248385 607705528 /nfs/dbraw/zinc/70/55/28/607705528.db2.gz SISAULNGBRZRKE-UHFFFAOYSA-N -1 3 313.405 2.875 20 0 DFADHM CCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)CCC1 ZINC000825248385 607705529 /nfs/dbraw/zinc/70/55/29/607705529.db2.gz SISAULNGBRZRKE-UHFFFAOYSA-N -1 3 313.405 2.875 20 0 DFADHM O=C([O-])c1cc(CN2CCC[C@H](Oc3ccccc3)C2)c[nH]1 ZINC000833780326 604588499 /nfs/dbraw/zinc/58/84/99/604588499.db2.gz VDEAEMWOZOPHBR-HNNXBMFYSA-N -1 3 300.358 2.756 20 0 DFADHM Cc1cc(CN2CCSC[C@@H]2C)cc(C)c1OCC(=O)[O-] ZINC000833745820 604648230 /nfs/dbraw/zinc/64/82/30/604648230.db2.gz VMCKQQUUVCSQOF-ZDUSSCGKSA-N -1 3 309.431 2.704 20 0 DFADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(C)o2)s1 ZINC000825694152 607827032 /nfs/dbraw/zinc/82/70/32/607827032.db2.gz LWFKANVCIYORAY-UHFFFAOYSA-N -1 3 317.374 2.573 20 0 DFADHM CC(C)N(CCN(C)C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833497586 604764224 /nfs/dbraw/zinc/76/42/24/604764224.db2.gz HARCYQYULJVNMT-UHFFFAOYSA-N -1 3 308.382 2.580 20 0 DFADHM O=C([O-])CCCN(Cc1ccccc1)Cc1cnc2ccnn2c1 ZINC000833226751 604786638 /nfs/dbraw/zinc/78/66/38/604786638.db2.gz CPCOIMNAAIPGPF-UHFFFAOYSA-N -1 3 324.384 2.596 20 0 DFADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)[C@H]3CCCCC[C@@H]32)C1 ZINC000833421403 604865489 /nfs/dbraw/zinc/86/54/89/604865489.db2.gz NCDVLETXWRJAQX-ILXRZTDVSA-N -1 3 322.449 2.558 20 0 DFADHM C[C@@H](NCCCNC(=O)[O-])c1ccc(F)cc1Br ZINC000825495545 604976771 /nfs/dbraw/zinc/97/67/71/604976771.db2.gz GUOQOAQCJUUGEI-MRVPVSSYSA-N -1 3 319.174 2.897 20 0 DFADHM CCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830063861 604989100 /nfs/dbraw/zinc/98/91/00/604989100.db2.gz KUYHFJYYQBULPQ-LRDDRELGSA-N -1 3 300.358 2.957 20 0 DFADHM CC(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000827058741 604994548 /nfs/dbraw/zinc/99/45/48/604994548.db2.gz UNLHMQOAQSHYAD-MRXNPFEDSA-N -1 3 300.358 2.784 20 0 DFADHM O=C([O-])[C@@H](NCc1cccc(OCC(F)F)c1)c1cccnc1 ZINC000833170274 605000335 /nfs/dbraw/zinc/00/03/35/605000335.db2.gz RKMBPZZQAPQZTE-HNNXBMFYSA-N -1 3 322.311 2.641 20 0 DFADHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(-n2cccn2)cc1 ZINC000827717034 605005507 /nfs/dbraw/zinc/00/55/07/605005507.db2.gz DENNWSOZWDMXLA-DYVFJYSZSA-N -1 3 322.368 2.744 20 0 DFADHM CCc1cccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825722692 607728238 /nfs/dbraw/zinc/72/82/38/607728238.db2.gz JSKRLRSIUIUMOR-UHFFFAOYSA-N -1 3 322.368 2.715 20 0 DFADHM CCc1cccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825722692 607728240 /nfs/dbraw/zinc/72/82/40/607728240.db2.gz JSKRLRSIUIUMOR-UHFFFAOYSA-N -1 3 322.368 2.715 20 0 DFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000833545950 605054528 /nfs/dbraw/zinc/05/45/28/605054528.db2.gz CKEPUAUKVFHCCG-STQMWFEESA-N -1 3 323.389 2.556 20 0 DFADHM C[C@H]1Cc2ccccc2N1CCNCc1ccoc1C(=O)[O-] ZINC000833633035 605086873 /nfs/dbraw/zinc/08/68/73/605086873.db2.gz CWWAJLCHFYMSLB-LBPRGKRZSA-N -1 3 300.358 2.519 20 0 DFADHM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1cnn(C)c1 ZINC000825502074 605118923 /nfs/dbraw/zinc/11/89/23/605118923.db2.gz GXPZMVRXPYNUGY-VXGBXAGGSA-N -1 3 302.378 2.600 20 0 DFADHM CC[C@@H](C)[C@H](C)[NH2+]Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[n-]1 ZINC000833636989 605217656 /nfs/dbraw/zinc/21/76/56/605217656.db2.gz ABIFGJLSOKZCCU-APPZFPTMSA-N -1 3 323.418 2.515 20 0 DFADHM C/C(=C/CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC000833382040 605225775 /nfs/dbraw/zinc/22/57/75/605225775.db2.gz GGJNMLYBXBDRNJ-FGUAACIASA-N -1 3 317.311 2.570 20 0 DFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000833547507 605245116 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O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(CC1CCC1)c1ccccc1 ZINC000826470889 607748829 /nfs/dbraw/zinc/74/88/29/607748829.db2.gz HGNKGPRPESOXFE-UHFFFAOYSA-N -1 3 322.372 2.642 20 0 DFADHM CCCC[C@H](CCC)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825260521 607749646 /nfs/dbraw/zinc/74/96/46/607749646.db2.gz PYZOOIMAYFZDBH-NSHDSACASA-N -1 3 304.398 2.531 20 0 DFADHM CCCC[C@H](CCC)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825260521 607749647 /nfs/dbraw/zinc/74/96/47/607749647.db2.gz PYZOOIMAYFZDBH-NSHDSACASA-N -1 3 304.398 2.531 20 0 DFADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H]2c2cccc(C)n2)O1 ZINC000833585766 605359011 /nfs/dbraw/zinc/35/90/11/605359011.db2.gz UZNZYPRHZKVYAA-CZUORRHYSA-N -1 3 302.374 2.674 20 0 DFADHM C[C@]1(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)CCCO1 ZINC000833565891 605362103 /nfs/dbraw/zinc/36/21/03/605362103.db2.gz JMYIKPPXYWXHMI-GXTWGEPZSA-N -1 3 301.745 2.764 20 0 DFADHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3ccnc(Cl)c3)C[C@H]21 ZINC000834180264 605432079 /nfs/dbraw/zinc/43/20/79/605432079.db2.gz 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CC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(OC)cc1 ZINC000820926118 606025802 /nfs/dbraw/zinc/02/58/02/606025802.db2.gz OWTIAXVFXDQEOO-CQSZACIVSA-N -1 3 310.361 2.834 20 0 DFADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(OC)cc1 ZINC000820926118 606025808 /nfs/dbraw/zinc/02/58/08/606025808.db2.gz OWTIAXVFXDQEOO-CQSZACIVSA-N -1 3 310.361 2.834 20 0 DFADHM FC(F)(F)[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC000822714452 606033902 /nfs/dbraw/zinc/03/39/02/606033902.db2.gz NFUAFPRSZBDDAE-RKDXNWHRSA-N -1 3 312.299 2.795 20 0 DFADHM FC(F)(F)[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC000822714452 606033908 /nfs/dbraw/zinc/03/39/08/606033908.db2.gz NFUAFPRSZBDDAE-RKDXNWHRSA-N -1 3 312.299 2.795 20 0 DFADHM CCO[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000821351090 606040710 /nfs/dbraw/zinc/04/07/10/606040710.db2.gz KRGOMDIIWYAPCD-GFCCVEGCSA-N -1 3 324.816 2.778 20 0 DFADHM CCO[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000821351090 606040716 /nfs/dbraw/zinc/04/07/16/606040716.db2.gz 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/nfs/dbraw/zinc/06/77/42/606067742.db2.gz RYMGJGVCPAKKQN-AWEZNQCLSA-N -1 3 322.372 2.760 20 0 DFADHM CCc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821492654 606067751 /nfs/dbraw/zinc/06/77/51/606067751.db2.gz RYMGJGVCPAKKQN-AWEZNQCLSA-N -1 3 322.372 2.760 20 0 DFADHM Cc1ccccc1C(C)(C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000822345567 606068582 /nfs/dbraw/zinc/06/85/82/606068582.db2.gz KTNKAZRMDHNUNZ-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM Cc1ccccc1C(C)(C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000822345567 606068589 /nfs/dbraw/zinc/06/85/89/606068589.db2.gz KTNKAZRMDHNUNZ-UHFFFAOYSA-N -1 3 308.389 2.960 20 0 DFADHM CC(C)(C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000819906320 606084867 /nfs/dbraw/zinc/08/48/67/606084867.db2.gz DVVJJPVZPKLECK-LBPRGKRZSA-N -1 3 300.410 2.914 20 0 DFADHM CC(C)(C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000819906320 606084872 /nfs/dbraw/zinc/08/48/72/606084872.db2.gz DVVJJPVZPKLECK-LBPRGKRZSA-N -1 3 300.410 2.914 20 0 DFADHM Cc1noc(C)c1CCN1CCC(N(CC2CC2)C(=O)[O-])CC1 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C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822005850 606354658 /nfs/dbraw/zinc/35/46/58/606354658.db2.gz UMIKQAQJMZTGQU-HOMQSWHASA-N -1 3 318.356 2.706 20 0 DFADHM C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822005850 606354660 /nfs/dbraw/zinc/35/46/60/606354660.db2.gz UMIKQAQJMZTGQU-HOMQSWHASA-N -1 3 318.356 2.706 20 0 DFADHM CCN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)C(C)C ZINC000821155081 606355778 /nfs/dbraw/zinc/35/57/78/606355778.db2.gz VVRYYFUUXHMZKF-JTQLQIEISA-N -1 3 320.372 2.904 20 0 DFADHM CCN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)C(C)C ZINC000821155081 606355780 /nfs/dbraw/zinc/35/57/80/606355780.db2.gz VVRYYFUUXHMZKF-JTQLQIEISA-N -1 3 320.372 2.904 20 0 DFADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820650883 606363936 /nfs/dbraw/zinc/36/39/36/606363936.db2.gz YBMYRUAFYLAZPP-RISCZKNCSA-N -1 3 313.405 2.811 20 0 DFADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820650883 606363938 /nfs/dbraw/zinc/36/39/38/606363938.db2.gz YBMYRUAFYLAZPP-RISCZKNCSA-N -1 3 313.405 2.811 20 0 DFADHM CCCC[C@H](CCC)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821042615 606365624 /nfs/dbraw/zinc/36/56/24/606365624.db2.gz GFWNPZOWFCIMDS-AWEZNQCLSA-N -1 3 301.394 2.955 20 0 DFADHM CCCC[C@H](CCC)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821042615 606365626 /nfs/dbraw/zinc/36/56/26/606365626.db2.gz GFWNPZOWFCIMDS-AWEZNQCLSA-N -1 3 301.394 2.955 20 0 DFADHM C[C@H]1C[C@H]1c1ccc(CNCc2ccc(-c3nnn[n-]3)s2)o1 ZINC000820676498 606410787 /nfs/dbraw/zinc/41/07/87/606410787.db2.gz NOIGONLRRBRUNU-JOYOIKCWSA-N -1 3 315.402 2.934 20 0 DFADHM CCC[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821009183 606414030 /nfs/dbraw/zinc/41/40/30/606414030.db2.gz OQBCYYUBPHVMKN-SECBINFHSA-N -1 3 307.785 2.919 20 0 DFADHM CCC[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821009183 606414034 /nfs/dbraw/zinc/41/40/34/606414034.db2.gz OQBCYYUBPHVMKN-SECBINFHSA-N -1 3 307.785 2.919 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H]1C ZINC000820766710 606417583 /nfs/dbraw/zinc/41/75/83/606417583.db2.gz CSPMINGEWQMSLL-DTORHVGOSA-N -1 3 311.311 2.978 20 0 DFADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000820766710 606417585 /nfs/dbraw/zinc/41/75/85/606417585.db2.gz CSPMINGEWQMSLL-DTORHVGOSA-N -1 3 311.311 2.978 20 0 DFADHM CC(C)[C@@H]1OCCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000820051954 606427491 /nfs/dbraw/zinc/42/74/91/606427491.db2.gz YSCSQQBVJPTXEA-NHYWBVRUSA-N -1 3 319.384 2.869 20 0 DFADHM CC(C)[C@@H]1OCCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000820051954 606427492 /nfs/dbraw/zinc/42/74/92/606427492.db2.gz YSCSQQBVJPTXEA-NHYWBVRUSA-N -1 3 319.384 2.869 20 0 DFADHM CC[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)Oc1ccccc1C ZINC000820907500 606427739 /nfs/dbraw/zinc/42/77/39/606427739.db2.gz DJYDUJQIMRUXMC-AWEZNQCLSA-N -1 3 324.388 2.840 20 0 DFADHM CC[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)Oc1ccccc1C ZINC000820907500 606427741 /nfs/dbraw/zinc/42/77/41/606427741.db2.gz DJYDUJQIMRUXMC-AWEZNQCLSA-N -1 3 324.388 2.840 20 0 DFADHM CO[C@@H](C)c1nc(CNc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821675948 606429314 /nfs/dbraw/zinc/42/93/14/606429314.db2.gz XCJIBOFICDRPFG-VIFPVBQESA-N -1 3 316.390 2.643 20 0 DFADHM CO[C@@H](C)c1nc(CNc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821675948 606429315 /nfs/dbraw/zinc/42/93/15/606429315.db2.gz XCJIBOFICDRPFG-VIFPVBQESA-N -1 3 316.390 2.643 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1c1cccnc1 ZINC000822744153 606445182 /nfs/dbraw/zinc/44/51/82/606445182.db2.gz NESHABZIMRPHDQ-CQSZACIVSA-N -1 3 310.336 2.742 20 0 DFADHM Cc1nc(CNc2c(Cl)cccc2-c2nnn[n-]2)cs1 ZINC000822444321 606457626 /nfs/dbraw/zinc/45/76/26/606457626.db2.gz LTXVERPOCNSEBA-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1nc(CNc2c(Cl)cccc2-c2nn[n-]n2)cs1 ZINC000822444321 606457628 /nfs/dbraw/zinc/45/76/28/606457628.db2.gz LTXVERPOCNSEBA-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1ccc(CCOC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822236126 606466920 /nfs/dbraw/zinc/46/69/20/606466920.db2.gz KVEMVIGYLYUKMN-UHFFFAOYSA-N -1 3 314.370 2.636 20 0 DFADHM Cc1ccc(CCOC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822236126 606466921 /nfs/dbraw/zinc/46/69/21/606466921.db2.gz KVEMVIGYLYUKMN-UHFFFAOYSA-N -1 3 314.370 2.636 20 0 DFADHM CCO[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1(CC)CC ZINC000821357257 606477379 /nfs/dbraw/zinc/47/73/79/606477379.db2.gz BPHFTFYXKRUVJG-OLZOCXBDSA-N -1 3 316.409 2.657 20 0 DFADHM CCO[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1(CC)CC ZINC000821357257 606477380 /nfs/dbraw/zinc/47/73/80/606477380.db2.gz BPHFTFYXKRUVJG-OLZOCXBDSA-N -1 3 316.409 2.657 20 0 DFADHM C[C@H](N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C1(C)CC1 ZINC000820306683 606481385 /nfs/dbraw/zinc/48/13/85/606481385.db2.gz CBDSSGOEFSETJT-JTQLQIEISA-N -1 3 300.366 2.519 20 0 DFADHM C[C@H](N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1(C)CC1 ZINC000820306683 606481387 /nfs/dbraw/zinc/48/13/87/606481387.db2.gz CBDSSGOEFSETJT-JTQLQIEISA-N -1 3 300.366 2.519 20 0 DFADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Oc1ccc(Cl)cc1 ZINC000823111491 606486336 /nfs/dbraw/zinc/48/63/36/606486336.db2.gz KKYWMHOOVLWACA-UHFFFAOYSA-N -1 3 314.732 2.668 20 0 DFADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Oc1ccc(Cl)cc1 ZINC000823111491 606486338 /nfs/dbraw/zinc/48/63/38/606486338.db2.gz KKYWMHOOVLWACA-UHFFFAOYSA-N -1 3 314.732 2.668 20 0 DFADHM CCCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@H](C)CC ZINC000821061573 606491741 /nfs/dbraw/zinc/49/17/41/606491741.db2.gz QRLWXUUGOVZTLB-SNVBAGLBSA-N -1 3 307.423 2.969 20 0 DFADHM CCCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@H](C)CC ZINC000821061573 606491743 /nfs/dbraw/zinc/49/17/43/606491743.db2.gz QRLWXUUGOVZTLB-SNVBAGLBSA-N -1 3 307.423 2.969 20 0 DFADHM Cc1cccc(CN(C)C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822304354 606492589 /nfs/dbraw/zinc/49/25/89/606492589.db2.gz UNDREALPMROCQR-UHFFFAOYSA-N -1 3 313.386 2.509 20 0 DFADHM Cc1cccc(CN(C)C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822304354 606492590 /nfs/dbraw/zinc/49/25/90/606492590.db2.gz UNDREALPMROCQR-UHFFFAOYSA-N -1 3 313.386 2.509 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000822237086 606506726 /nfs/dbraw/zinc/50/67/26/606506726.db2.gz DNZGYOPFNFRVHX-UHFFFAOYSA-N -1 3 319.415 2.570 20 0 DFADHM Cc1ccc(CN(C)C(=O)c2cc(-c3nn[n-]n3)cs2)s1 ZINC000822237086 606506727 /nfs/dbraw/zinc/50/67/27/606506727.db2.gz DNZGYOPFNFRVHX-UHFFFAOYSA-N -1 3 319.415 2.570 20 0 DFADHM CN(CC1CCCCC1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821596407 606536922 /nfs/dbraw/zinc/53/69/22/606536922.db2.gz JBSMBNKKJPITPE-UHFFFAOYSA-N -1 3 305.407 2.581 20 0 DFADHM CN(CC1CCCCC1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821596407 606536924 /nfs/dbraw/zinc/53/69/24/606536924.db2.gz JBSMBNKKJPITPE-UHFFFAOYSA-N -1 3 305.407 2.581 20 0 DFADHM C[C@@H](N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1)C1(C)CC1 ZINC000820307838 606552584 /nfs/dbraw/zinc/55/25/84/606552584.db2.gz PINWPAACBWMXKK-IDVQTMNDSA-N -1 3 311.389 2.527 20 0 DFADHM C[C@@H](N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1)C1(C)CC1 ZINC000820307838 606552586 /nfs/dbraw/zinc/55/25/86/606552586.db2.gz 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CO[C@@H]1C[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1(C)C ZINC000821679301 606609623 /nfs/dbraw/zinc/60/96/23/606609623.db2.gz ZOPZXRDETVJQDL-WDEREUQCSA-N -1 3 307.785 2.746 20 0 DFADHM CO[C@@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1(C)C ZINC000821678758 606609898 /nfs/dbraw/zinc/60/98/98/606609898.db2.gz RTOYSKHADFSEAF-VXGBXAGGSA-N -1 3 307.785 2.746 20 0 DFADHM CO[C@@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1(C)C ZINC000821678758 606609900 /nfs/dbraw/zinc/60/99/00/606609900.db2.gz RTOYSKHADFSEAF-VXGBXAGGSA-N -1 3 307.785 2.746 20 0 DFADHM C[C@H]1CCC(=CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820674004 606620036 /nfs/dbraw/zinc/62/00/36/606620036.db2.gz AMFLZIYGKOLSIV-HZAKCSEPSA-N -1 3 301.325 2.691 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820674004 606620038 /nfs/dbraw/zinc/62/00/38/606620038.db2.gz AMFLZIYGKOLSIV-HZAKCSEPSA-N -1 3 301.325 2.691 20 0 DFADHM CCN(CCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821215971 606620772 /nfs/dbraw/zinc/62/07/72/606620772.db2.gz 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/nfs/dbraw/zinc/64/32/71/606643271.db2.gz KGOWJISLQLAWHM-UHFFFAOYSA-N -1 3 305.263 2.896 20 0 DFADHM c1ccc(CCOCCCNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823780265 606657018 /nfs/dbraw/zinc/65/70/18/606657018.db2.gz QABMBLFCOIDCDU-UHFFFAOYSA-N -1 3 323.400 2.928 20 0 DFADHM c1ccc(CCOCCCNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823780265 606657019 /nfs/dbraw/zinc/65/70/19/606657019.db2.gz QABMBLFCOIDCDU-UHFFFAOYSA-N -1 3 323.400 2.928 20 0 DFADHM O=C(Nc1ccccc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823372778 606661855 /nfs/dbraw/zinc/66/18/55/606661855.db2.gz KDBOTGPKCGUSHF-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM O=C(Nc1ccccc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823372778 606661856 /nfs/dbraw/zinc/66/18/56/606661856.db2.gz KDBOTGPKCGUSHF-UHFFFAOYSA-N -1 3 319.246 2.536 20 0 DFADHM CC(C)CN(C(=O)C=C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081320 606670149 /nfs/dbraw/zinc/67/01/49/606670149.db2.gz BQMRJSGOCGGGKZ-UHFFFAOYSA-N -1 3 311.389 2.966 20 0 DFADHM CC(C)CN(C(=O)C=C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081320 606670150 /nfs/dbraw/zinc/67/01/50/606670150.db2.gz BQMRJSGOCGGGKZ-UHFFFAOYSA-N -1 3 311.389 2.966 20 0 DFADHM CC1(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC000820623271 606674349 /nfs/dbraw/zinc/67/43/49/606674349.db2.gz KGAMLMOFEKYCSZ-UHFFFAOYSA-N -1 3 321.331 2.598 20 0 DFADHM CC1(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC000820623271 606674350 /nfs/dbraw/zinc/67/43/50/606674350.db2.gz KGAMLMOFEKYCSZ-UHFFFAOYSA-N -1 3 321.331 2.598 20 0 DFADHM CC(C)CC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC000820063580 606688791 /nfs/dbraw/zinc/68/87/91/606688791.db2.gz WVXITINRPUNPOY-UHFFFAOYSA-N -1 3 316.409 2.531 20 0 DFADHM CC(C)CC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC000820063580 606688792 /nfs/dbraw/zinc/68/87/92/606688792.db2.gz WVXITINRPUNPOY-UHFFFAOYSA-N -1 3 316.409 2.531 20 0 DFADHM COCC[C@@H](C)Sc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000821686034 606704734 /nfs/dbraw/zinc/70/47/34/606704734.db2.gz YLLDMOBEGUMQTN-SECBINFHSA-N -1 3 319.434 2.576 20 0 DFADHM COCC[C@@H](C)Sc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC000821686034 606704737 /nfs/dbraw/zinc/70/47/37/606704737.db2.gz YLLDMOBEGUMQTN-SECBINFHSA-N -1 3 319.434 2.576 20 0 DFADHM COCCC1(CNc2c(F)cc(-c3nnn[n-]3)cc2F)CCC1 ZINC000821686887 606721080 /nfs/dbraw/zinc/72/10/80/606721080.db2.gz DGHJMJYJFOMSOW-UHFFFAOYSA-N -1 3 323.347 2.764 20 0 DFADHM COCCC1(CNc2c(F)cc(-c3nn[n-]n3)cc2F)CCC1 ZINC000821686887 606721081 /nfs/dbraw/zinc/72/10/81/606721081.db2.gz DGHJMJYJFOMSOW-UHFFFAOYSA-N -1 3 323.347 2.764 20 0 DFADHM Clc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000822568290 606727658 /nfs/dbraw/zinc/72/76/58/606727658.db2.gz OXSNCRQUEIMNRK-ZKYQVNSYSA-N -1 3 319.796 2.890 20 0 DFADHM Clc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000822568290 606727659 /nfs/dbraw/zinc/72/76/59/606727659.db2.gz OXSNCRQUEIMNRK-ZKYQVNSYSA-N -1 3 319.796 2.890 20 0 DFADHM CC(C)CC1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820067480 606752985 /nfs/dbraw/zinc/75/29/85/606752985.db2.gz 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/nfs/dbraw/zinc/79/89/67/606798967.db2.gz LOSBLAFDEKFFST-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM CC(C)c1cccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820192381 606798968 /nfs/dbraw/zinc/79/89/68/606798968.db2.gz LOSBLAFDEKFFST-UHFFFAOYSA-N -1 3 322.372 2.662 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820972476 606815739 /nfs/dbraw/zinc/81/57/39/606815739.db2.gz ODJMEAIOKAAIOL-UAJRFJEFSA-N -1 3 311.389 2.575 20 0 DFADHM CC[C@@H]1CCC[C@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820972476 606815740 /nfs/dbraw/zinc/81/57/40/606815740.db2.gz ODJMEAIOKAAIOL-UAJRFJEFSA-N -1 3 311.389 2.575 20 0 DFADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(F)cc(Cl)c1 ZINC000823368491 606841418 /nfs/dbraw/zinc/84/14/18/606841418.db2.gz YOJSXUPDRIEGPH-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(F)cc(Cl)c1 ZINC000823368491 606841419 /nfs/dbraw/zinc/84/14/19/606841419.db2.gz YOJSXUPDRIEGPH-UHFFFAOYSA-N -1 3 317.711 2.912 20 0 DFADHM Cc1nnc(CSc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000822510633 606853513 /nfs/dbraw/zinc/85/35/13/606853513.db2.gz SKOLJDMRBJXJLH-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM Cc1nnc(CSc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000822510633 606853514 /nfs/dbraw/zinc/85/35/14/606853514.db2.gz SKOLJDMRBJXJLH-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM CC1(C)CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820594597 606873698 /nfs/dbraw/zinc/87/36/98/606873698.db2.gz ATBNPUMARYFBPU-NSHDSACASA-N -1 3 305.407 2.627 20 0 DFADHM CC1(C)CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820594597 606873700 /nfs/dbraw/zinc/87/37/00/606873700.db2.gz ATBNPUMARYFBPU-NSHDSACASA-N -1 3 305.407 2.627 20 0 DFADHM Cc1nc(CCNc2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000822439446 606874866 /nfs/dbraw/zinc/87/48/66/606874866.db2.gz BCWZYDIHZODVSA-UHFFFAOYSA-N -1 3 300.391 2.595 20 0 DFADHM CC(C)C[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820063173 606878768 /nfs/dbraw/zinc/87/87/68/606878768.db2.gz SGPLPZILKGRJFB-GFCCVEGCSA-N -1 3 319.434 2.969 20 0 DFADHM CC(C)C[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820063173 606878769 /nfs/dbraw/zinc/87/87/69/606878769.db2.gz SGPLPZILKGRJFB-GFCCVEGCSA-N -1 3 319.434 2.969 20 0 DFADHM c1cc(N2CCOC3(C2)CCCCCC3)ccc1-c1nn[n-]n1 ZINC000823757978 606878808 /nfs/dbraw/zinc/87/88/08/606878808.db2.gz YPZFCNFLWDWLEQ-UHFFFAOYSA-N -1 3 313.405 2.796 20 0 DFADHM C/C=C/COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820833213 606888218 /nfs/dbraw/zinc/88/82/18/606888218.db2.gz UCBBICFCAMPWNF-NSCUHMNNSA-N -1 3 312.251 2.618 20 0 DFADHM C/C=C/COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820833213 606888220 /nfs/dbraw/zinc/88/82/20/606888220.db2.gz UCBBICFCAMPWNF-NSCUHMNNSA-N -1 3 312.251 2.618 20 0 DFADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc(Cl)c1F ZINC000823387637 606958265 /nfs/dbraw/zinc/95/82/65/606958265.db2.gz RXTDGBGLOOWWCZ-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc(Cl)c1F ZINC000823387637 606958267 /nfs/dbraw/zinc/95/82/67/606958267.db2.gz RXTDGBGLOOWWCZ-UHFFFAOYSA-N -1 3 323.740 2.973 20 0 DFADHM Fc1ccc(CN2CC[C@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000822766608 606974921 /nfs/dbraw/zinc/97/49/21/606974921.db2.gz KYUYEBGSWJCHEU-INIZCTEOSA-N -1 3 309.348 2.953 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1cccc2nsnc21 ZINC000822135795 606980236 /nfs/dbraw/zinc/98/02/36/606980236.db2.gz FBNJDTZHEXCNCA-UHFFFAOYSA-N -1 3 324.369 2.759 20 0 DFADHM CC=C(C=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)CC ZINC000820827634 606992375 /nfs/dbraw/zinc/99/23/75/606992375.db2.gz VBHIBRROLQNVAO-ZWNOIDMSSA-N -1 3 311.389 2.738 20 0 DFADHM CC=C(C=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)CC ZINC000820827634 606992376 /nfs/dbraw/zinc/99/23/76/606992376.db2.gz VBHIBRROLQNVAO-ZWNOIDMSSA-N -1 3 311.389 2.738 20 0 DFADHM CCC/C(C)=C\C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821009058 606996851 /nfs/dbraw/zinc/99/68/51/606996851.db2.gz NIZSGSWJBMHJJJ-YFHOEESVSA-N -1 3 304.325 2.795 20 0 DFADHM CCC/C(C)=C\C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821009058 606996853 /nfs/dbraw/zinc/99/68/53/606996853.db2.gz NIZSGSWJBMHJJJ-YFHOEESVSA-N -1 3 304.325 2.795 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000821699167 607023333 /nfs/dbraw/zinc/02/33/33/607023333.db2.gz FFNCJQPWJIQWEG-GHMZBOCLSA-N -1 3 316.361 2.607 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000821699167 607023334 /nfs/dbraw/zinc/02/33/34/607023334.db2.gz FFNCJQPWJIQWEG-GHMZBOCLSA-N -1 3 316.361 2.607 20 0 DFADHM CC(=O)Nc1cccc(COc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000819827704 607027515 /nfs/dbraw/zinc/02/75/15/607027515.db2.gz UVMQRDQNDBGVHW-UHFFFAOYSA-N -1 3 323.356 2.713 20 0 DFADHM CC(=O)Nc1cccc(COc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000819827704 607027516 /nfs/dbraw/zinc/02/75/16/607027516.db2.gz UVMQRDQNDBGVHW-UHFFFAOYSA-N -1 3 323.356 2.713 20 0 DFADHM Cc1cccc(NC(=O)COc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000822324289 607030207 /nfs/dbraw/zinc/03/02/07/607030207.db2.gz YUXRSYGQHHCGPQ-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM Cc1cccc(NC(=O)COc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000822324289 607030209 /nfs/dbraw/zinc/03/02/09/607030209.db2.gz YUXRSYGQHHCGPQ-UHFFFAOYSA-N -1 3 323.356 2.501 20 0 DFADHM Clc1cccc(-c2nnn[n-]2)c1N1CCOC2(CCCC2)C1 ZINC000822582174 607031997 /nfs/dbraw/zinc/03/19/97/607031997.db2.gz RYKWGBNWANTJSG-UHFFFAOYSA-N -1 3 319.796 2.670 20 0 DFADHM Clc1cccc(-c2nn[n-]n2)c1N1CCOC2(CCCC2)C1 ZINC000822582174 607031999 /nfs/dbraw/zinc/03/19/99/607031999.db2.gz RYKWGBNWANTJSG-UHFFFAOYSA-N -1 3 319.796 2.670 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000821757004 607035318 /nfs/dbraw/zinc/03/53/18/607035318.db2.gz SXNRJWFAJBCZIH-QWRGUYRKSA-N -1 3 315.377 2.640 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000821757004 607035319 /nfs/dbraw/zinc/03/53/19/607035319.db2.gz SXNRJWFAJBCZIH-QWRGUYRKSA-N -1 3 315.377 2.640 20 0 DFADHM CC=C(C=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)CC ZINC000820825870 607051114 /nfs/dbraw/zinc/05/11/14/607051114.db2.gz GHGFVOQQQCDBGR-UAGLHMTDSA-N -1 3 311.389 2.956 20 0 DFADHM CC=C(C=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)CC ZINC000820825870 607051116 /nfs/dbraw/zinc/05/11/16/607051116.db2.gz GHGFVOQQQCDBGR-UAGLHMTDSA-N -1 3 311.389 2.956 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822928199 607074344 /nfs/dbraw/zinc/07/43/44/607074344.db2.gz DSFXMPZNVBEQEZ-TWGQIWQCSA-N -1 3 324.315 2.762 20 0 DFADHM O=C(C=Cc1ccccc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822928199 607074346 /nfs/dbraw/zinc/07/43/46/607074346.db2.gz DSFXMPZNVBEQEZ-TWGQIWQCSA-N -1 3 324.315 2.762 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000820690560 607083720 /nfs/dbraw/zinc/08/37/20/607083720.db2.gz NZROKLSROBSPRN-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@@H]1CCC[C@@H](C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC000820690560 607083721 /nfs/dbraw/zinc/08/37/21/607083721.db2.gz NZROKLSROBSPRN-GHMZBOCLSA-N -1 3 318.352 2.875 20 0 DFADHM Cc1cc(C)c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)o1 ZINC000822194432 607085567 /nfs/dbraw/zinc/08/55/67/607085567.db2.gz XDLIGDWOQBRWKH-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM Cc1cc(C)c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)o1 ZINC000822194432 607085569 /nfs/dbraw/zinc/08/55/69/607085569.db2.gz XDLIGDWOQBRWKH-UHFFFAOYSA-N -1 3 316.292 2.573 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2ccccc2-c2nnn[n-]2)C1 ZINC000820684579 607090220 /nfs/dbraw/zinc/09/02/20/607090220.db2.gz RJXAVMBIFUMNKM-RYUDHWBXSA-N -1 3 300.362 2.736 20 0 DFADHM C[C@H]1CC[C@H](CC(=O)OCc2ccccc2-c2nn[n-]n2)C1 ZINC000820684579 607090221 /nfs/dbraw/zinc/09/02/21/607090221.db2.gz RJXAVMBIFUMNKM-RYUDHWBXSA-N -1 3 300.362 2.736 20 0 DFADHM CCC(CC)CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820894013 607090986 /nfs/dbraw/zinc/09/09/86/607090986.db2.gz ZYSGJSWMBNHIQJ-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CCC(CC)CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820894013 607090988 /nfs/dbraw/zinc/09/09/88/607090988.db2.gz ZYSGJSWMBNHIQJ-UHFFFAOYSA-N -1 3 306.341 2.875 20 0 DFADHM CC(C)c1cnc(COc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000820197604 607134102 /nfs/dbraw/zinc/13/41/02/607134102.db2.gz MSRYNSBLUCYMCN-UHFFFAOYSA-N -1 3 303.297 2.696 20 0 DFADHM CC(C)c1cnc(COc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000820197604 607134104 /nfs/dbraw/zinc/13/41/04/607134104.db2.gz MSRYNSBLUCYMCN-UHFFFAOYSA-N -1 3 303.297 2.696 20 0 DFADHM Fc1cccc(OCCOc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822792390 607137001 /nfs/dbraw/zinc/13/70/01/607137001.db2.gz VDBUTGKCDGYHMP-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Fc1cccc(OCCOc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822792390 607137003 /nfs/dbraw/zinc/13/70/03/607137003.db2.gz VDBUTGKCDGYHMP-UHFFFAOYSA-N -1 3 318.283 2.603 20 0 DFADHM Clc1cc(-c2nnn[n-]2)ccc1SCCn1cccn1 ZINC000822564306 607142991 /nfs/dbraw/zinc/14/29/91/607142991.db2.gz ZBSPPIBIVHVINB-UHFFFAOYSA-N -1 3 306.782 2.509 20 0 DFADHM Clc1cc(-c2nn[n-]n2)ccc1SCCn1cccn1 ZINC000822564306 607142993 /nfs/dbraw/zinc/14/29/93/607142993.db2.gz ZBSPPIBIVHVINB-UHFFFAOYSA-N -1 3 306.782 2.509 20 0 DFADHM Cc1cc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1F ZINC000822210834 607158624 /nfs/dbraw/zinc/15/86/24/607158624.db2.gz SNOOQIIPTVIQRF-TWGQIWQCSA-N -1 3 324.315 2.933 20 0 DFADHM Cc1cc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1F ZINC000822210834 607158626 /nfs/dbraw/zinc/15/86/26/607158626.db2.gz SNOOQIIPTVIQRF-TWGQIWQCSA-N -1 3 324.315 2.933 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821015393 607164628 /nfs/dbraw/zinc/16/46/28/607164628.db2.gz PQVWSEXWOYJICW-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821015393 607164629 /nfs/dbraw/zinc/16/46/29/607164629.db2.gz PQVWSEXWOYJICW-IUODEOHRSA-N -1 3 313.405 2.908 20 0 DFADHM CCOc1ccccc1COc1ccc(-c2nnn[n-]2)cc1F ZINC000821438330 607170543 /nfs/dbraw/zinc/17/05/43/607170543.db2.gz ZKZUZVNXPRRVSA-UHFFFAOYSA-N -1 3 314.320 2.984 20 0 DFADHM CCOc1ccccc1COc1ccc(-c2nn[n-]n2)cc1F ZINC000821438330 607170544 /nfs/dbraw/zinc/17/05/44/607170544.db2.gz ZKZUZVNXPRRVSA-UHFFFAOYSA-N -1 3 314.320 2.984 20 0 DFADHM Cc1cccc2c(Oc3ccc(-c4nn[n-]n4)cc3)ncnc12 ZINC000822336510 607173257 /nfs/dbraw/zinc/17/32/57/607173257.db2.gz QYGDQZBGWJKWAM-UHFFFAOYSA-N -1 3 304.313 2.911 20 0 DFADHM CCCCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821062182 607200137 /nfs/dbraw/zinc/20/01/37/607200137.db2.gz VKIGSLITFKCMQE-UHFFFAOYSA-N -1 3 308.773 2.784 20 0 DFADHM CCCCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821062182 607200138 /nfs/dbraw/zinc/20/01/38/607200138.db2.gz VKIGSLITFKCMQE-UHFFFAOYSA-N -1 3 308.773 2.784 20 0 DFADHM O=C1c2ccccc2C[C@H]1Sc1ccc(-c2nnn[n-]2)cc1 ZINC000823551060 607225443 /nfs/dbraw/zinc/22/54/43/607225443.db2.gz DAMGNOMYOWDXLS-CQSZACIVSA-N -1 3 308.366 2.766 20 0 DFADHM O=C1c2ccccc2C[C@H]1Sc1ccc(-c2nn[n-]n2)cc1 ZINC000823551060 607225444 /nfs/dbraw/zinc/22/54/44/607225444.db2.gz DAMGNOMYOWDXLS-CQSZACIVSA-N -1 3 308.366 2.766 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCC2(c3ccccc3)CC2)n1 ZINC000822215229 607226666 /nfs/dbraw/zinc/22/66/66/607226666.db2.gz RXBIJWLVYABFOR-UHFFFAOYSA-N -1 3 306.373 2.714 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCC2(c3ccccc3)CC2)n1 ZINC000822215229 607226667 /nfs/dbraw/zinc/22/66/67/607226667.db2.gz RXBIJWLVYABFOR-UHFFFAOYSA-N -1 3 306.373 2.714 20 0 DFADHM c1cn(-c2ccccc2)nc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000823771558 607229394 /nfs/dbraw/zinc/22/93/94/607229394.db2.gz ABZHNNGEUVJMME-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM c1cn(-c2ccccc2)nc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000823771558 607229395 /nfs/dbraw/zinc/22/93/95/607229395.db2.gz ABZHNNGEUVJMME-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM Cc1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822289171 607245486 /nfs/dbraw/zinc/24/54/86/607245486.db2.gz TVUWPUAYVBKQDO-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM Cc1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822289171 607245487 /nfs/dbraw/zinc/24/54/87/607245487.db2.gz TVUWPUAYVBKQDO-UHFFFAOYSA-N -1 3 312.304 2.842 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c2ccccc21 ZINC000824919354 607775234 /nfs/dbraw/zinc/77/52/34/607775234.db2.gz UJHHXPHBKLFUHG-YGRLFVJLSA-N -1 3 322.372 2.563 20 0 DFADHM C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c2ccccc21 ZINC000824919354 607775235 /nfs/dbraw/zinc/77/52/35/607775235.db2.gz UJHHXPHBKLFUHG-YGRLFVJLSA-N -1 3 322.372 2.563 20 0 DFADHM Cc1ccc(F)c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826289009 607788535 /nfs/dbraw/zinc/78/85/35/607788535.db2.gz GRVSJSSDBUVDBF-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1ccc(F)c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826289009 607788536 /nfs/dbraw/zinc/78/85/36/607788536.db2.gz GRVSJSSDBUVDBF-UHFFFAOYSA-N -1 3 311.320 2.591 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C1CC1)C1CC1 ZINC000826252431 607801673 /nfs/dbraw/zinc/80/16/73/607801673.db2.gz CQDUEICDWLFAKV-UHFFFAOYSA-N -1 3 312.373 2.655 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C1CC1)C1CC1 ZINC000826252431 607801674 /nfs/dbraw/zinc/80/16/74/607801674.db2.gz CQDUEICDWLFAKV-UHFFFAOYSA-N -1 3 312.373 2.655 20 0 DFADHM Cc1cc(Cl)ncc1OCc1ccccc1-c1nnn[n-]1 ZINC000826267425 607812240 /nfs/dbraw/zinc/81/22/40/607812240.db2.gz FLPGUSSFCBJYEM-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM Cc1cc(Cl)ncc1OCc1ccccc1-c1nn[n-]n1 ZINC000826267425 607812241 /nfs/dbraw/zinc/81/22/41/607812241.db2.gz FLPGUSSFCBJYEM-UHFFFAOYSA-N -1 3 301.737 2.803 20 0 DFADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(C)o2)s1 ZINC000825694152 607827031 /nfs/dbraw/zinc/82/70/31/607827031.db2.gz LWFKANVCIYORAY-UHFFFAOYSA-N -1 3 317.374 2.573 20 0 DFADHM Cc1nn(C)c(C)c1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826333744 607839053 /nfs/dbraw/zinc/83/90/53/607839053.db2.gz SXELPWQHCRCMNU-UHFFFAOYSA-N -1 3 320.360 2.509 20 0 DFADHM Cc1nn(C)c(C)c1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826333744 607839054 /nfs/dbraw/zinc/83/90/54/607839054.db2.gz SXELPWQHCRCMNU-UHFFFAOYSA-N -1 3 320.360 2.509 20 0 DFADHM O=C1OCC[C@H]1CCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826483372 607844066 /nfs/dbraw/zinc/84/40/66/607844066.db2.gz LJBBGHQURQPKBS-QMMMGPOBSA-N -1 3 324.793 2.565 20 0 DFADHM O=C1OCC[C@H]1CCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826483372 607844067 /nfs/dbraw/zinc/84/40/67/607844067.db2.gz LJBBGHQURQPKBS-QMMMGPOBSA-N -1 3 324.793 2.565 20 0 DFADHM Cn1cc(CCSc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000826360198 607844827 /nfs/dbraw/zinc/84/48/27/607844827.db2.gz ANQFRDACTSOTED-UHFFFAOYSA-N -1 3 320.809 2.588 20 0 DFADHM Cn1cc(CCSc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000826360198 607844828 /nfs/dbraw/zinc/84/48/28/607844828.db2.gz ANQFRDACTSOTED-UHFFFAOYSA-N -1 3 320.809 2.588 20 0 DFADHM CCc1cccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825722994 607869990 /nfs/dbraw/zinc/86/99/90/607869990.db2.gz PQXKZBBFUPRWTP-INIZCTEOSA-N -1 3 310.357 2.542 20 0 DFADHM CCc1cccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825722994 607869991 /nfs/dbraw/zinc/86/99/91/607869991.db2.gz PQXKZBBFUPRWTP-INIZCTEOSA-N -1 3 310.357 2.542 20 0 DFADHM OC1(COc2ccc(-c3nnn[n-]3)cc2Cl)CCCCC1 ZINC000826506223 607873200 /nfs/dbraw/zinc/87/32/00/607873200.db2.gz OZJFVOGMRSGTGX-UHFFFAOYSA-N -1 3 308.769 2.594 20 0 DFADHM OC1(COc2ccc(-c3nn[n-]n3)cc2Cl)CCCCC1 ZINC000826506223 607873201 /nfs/dbraw/zinc/87/32/01/607873201.db2.gz OZJFVOGMRSGTGX-UHFFFAOYSA-N -1 3 308.769 2.594 20 0 DFADHM CCN(C(=O)c1ccoc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385473 607879238 /nfs/dbraw/zinc/87/92/38/607879238.db2.gz HCQZMECBCKBROR-UHFFFAOYSA-N -1 3 317.736 2.780 20 0 DFADHM CCN(C(=O)c1ccoc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385473 607879239 /nfs/dbraw/zinc/87/92/39/607879239.db2.gz HCQZMECBCKBROR-UHFFFAOYSA-N -1 3 317.736 2.780 20 0 DFADHM c1cn(Cc2csc(Cc3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000826522374 607892292 /nfs/dbraw/zinc/89/22/92/607892292.db2.gz XQXJVTYRAVJNRK-UHFFFAOYSA-N -1 3 322.397 2.764 20 0 DFADHM c1cn(Cc2csc(Cc3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000826522374 607892293 /nfs/dbraw/zinc/89/22/93/607892293.db2.gz XQXJVTYRAVJNRK-UHFFFAOYSA-N -1 3 322.397 2.764 20 0 DFADHM Clc1cc2cccnc2c(Cn2ccc(-c3nnn[n-]3)c2)c1 ZINC000826351064 607892609 /nfs/dbraw/zinc/89/26/09/607892609.db2.gz WBIOZVNQCOCLIZ-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM Clc1cc2cccnc2c(Cn2ccc(-c3nn[n-]n3)c2)c1 ZINC000826351064 607892610 /nfs/dbraw/zinc/89/26/10/607892610.db2.gz WBIOZVNQCOCLIZ-UHFFFAOYSA-N -1 3 310.748 2.918 20 0 DFADHM c1cc2ncnc(N3CCc4ccc(-c5nnn[n-]5)cc43)c2s1 ZINC000826526626 607936262 /nfs/dbraw/zinc/93/62/62/607936262.db2.gz FWXIVCNBSGWXRY-UHFFFAOYSA-N -1 3 321.369 2.566 20 0 DFADHM c1cc2ncnc(N3CCc4ccc(-c5nn[n-]n5)cc43)c2s1 ZINC000826526626 607936263 /nfs/dbraw/zinc/93/62/63/607936263.db2.gz FWXIVCNBSGWXRY-UHFFFAOYSA-N -1 3 321.369 2.566 20 0 DFADHM O=C(C=Cc1cccs1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826403670 607950240 /nfs/dbraw/zinc/95/02/40/607950240.db2.gz YVGZMRYWHDEXEE-WAYWQWQTSA-N -1 3 323.381 2.531 20 0 DFADHM O=C(C=Cc1cccs1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826403670 607950241 /nfs/dbraw/zinc/95/02/41/607950241.db2.gz YVGZMRYWHDEXEE-WAYWQWQTSA-N -1 3 323.381 2.531 20 0 DFADHM Cc1oc(C)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826341024 607961332 /nfs/dbraw/zinc/96/13/32/607961332.db2.gz TYZFCJXJZKTUTI-UHFFFAOYSA-N -1 3 312.329 2.742 20 0 DFADHM Cc1oc(C)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826341024 607961333 /nfs/dbraw/zinc/96/13/33/607961333.db2.gz TYZFCJXJZKTUTI-UHFFFAOYSA-N -1 3 312.329 2.742 20 0 DFADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(OC)c1 ZINC000825782704 607975801 /nfs/dbraw/zinc/97/58/01/607975801.db2.gz MJCRHSOYFFVSNL-UHFFFAOYSA-N -1 3 320.356 2.912 20 0 DFADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(OC)c1 ZINC000825782704 607975802 /nfs/dbraw/zinc/97/58/02/607975802.db2.gz MJCRHSOYFFVSNL-UHFFFAOYSA-N -1 3 320.356 2.912 20 0 DFADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCCCC1 ZINC000823826133 607986971 /nfs/dbraw/zinc/98/69/71/607986971.db2.gz CZKOVGUOVPOVQJ-UHFFFAOYSA-N -1 3 308.183 2.620 20 0 DFADHM Fc1cc(-c2nnn[n-]2)ccc1CN(CC(F)(F)F)C1CC1 ZINC000826371382 608038304 /nfs/dbraw/zinc/03/83/04/608038304.db2.gz DRJSPDVPIOKTNW-UHFFFAOYSA-N -1 3 315.274 2.533 20 0 DFADHM Fc1cc(-c2nn[n-]n2)ccc1CN(CC(F)(F)F)C1CC1 ZINC000826371382 608038305 /nfs/dbraw/zinc/03/83/05/608038305.db2.gz DRJSPDVPIOKTNW-UHFFFAOYSA-N -1 3 315.274 2.533 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825095544 608054168 /nfs/dbraw/zinc/05/41/68/608054168.db2.gz IPYZZFDKCMURDR-GFCCVEGCSA-N -1 3 315.421 2.897 20 0 DFADHM CCC(CC)[C@@H](C)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825095544 608054169 /nfs/dbraw/zinc/05/41/69/608054169.db2.gz IPYZZFDKCMURDR-GFCCVEGCSA-N -1 3 315.421 2.897 20 0 DFADHM c1cnn(-c2ccccc2NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826519639 608056032 /nfs/dbraw/zinc/05/60/32/608056032.db2.gz HSOWOSXBGJOXKY-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM c1cnn(-c2ccccc2NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826519639 608056033 /nfs/dbraw/zinc/05/60/33/608056033.db2.gz HSOWOSXBGJOXKY-UHFFFAOYSA-N -1 3 323.385 2.726 20 0 DFADHM CCC(CC)[C@H](C)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825095452 608071443 /nfs/dbraw/zinc/07/14/43/608071443.db2.gz GOPKGCHCJYDALK-NSHDSACASA-N -1 3 301.394 2.902 20 0 DFADHM CCC(CC)[C@H](C)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825095452 608071444 /nfs/dbraw/zinc/07/14/44/608071444.db2.gz GOPKGCHCJYDALK-NSHDSACASA-N -1 3 301.394 2.902 20 0 DFADHM O=C(Oc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826468195 608074483 /nfs/dbraw/zinc/07/44/83/608074483.db2.gz FHGZXVKZCPVNCQ-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM O=C(Oc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826468195 608074484 /nfs/dbraw/zinc/07/44/84/608074484.db2.gz FHGZXVKZCPVNCQ-UHFFFAOYSA-N -1 3 318.695 2.878 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000826278330 608078741 /nfs/dbraw/zinc/07/87/41/608078741.db2.gz YBRFDZJZUUXGEJ-PWSUYJOCSA-N -1 3 314.393 2.827 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000826278330 608078742 /nfs/dbraw/zinc/07/87/42/608078742.db2.gz YBRFDZJZUUXGEJ-PWSUYJOCSA-N -1 3 314.393 2.827 20 0 DFADHM C[C@H](c1cccnc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000824772740 608085874 /nfs/dbraw/zinc/08/58/74/608085874.db2.gz XBVUTNYEAOAPKI-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM C[C@H](c1cccnc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000824772740 608085875 /nfs/dbraw/zinc/08/58/75/608085875.db2.gz XBVUTNYEAOAPKI-LLVKDONJSA-N -1 3 312.352 2.594 20 0 DFADHM Cc1ccc(C=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826286315 608095859 /nfs/dbraw/zinc/09/58/59/608095859.db2.gz YQBBPYFCEXYQSP-DHZHZOJOSA-N -1 3 320.352 2.932 20 0 DFADHM Cc1ccc(C=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826286315 608095860 /nfs/dbraw/zinc/09/58/60/608095860.db2.gz YQBBPYFCEXYQSP-DHZHZOJOSA-N -1 3 320.352 2.932 20 0 DFADHM CC(C)n1cccc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824371467 608115105 /nfs/dbraw/zinc/11/51/05/608115105.db2.gz GUBBBZBFGHGFGW-UHFFFAOYSA-N -1 3 324.388 2.521 20 0 DFADHM CC(C)n1cccc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824371467 608115106 /nfs/dbraw/zinc/11/51/06/608115106.db2.gz GUBBBZBFGHGFGW-UHFFFAOYSA-N -1 3 324.388 2.521 20 0 DFADHM CCC[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825224680 608117278 /nfs/dbraw/zinc/11/72/78/608117278.db2.gz BEJZLHPTBRSKAH-CQSZACIVSA-N -1 3 302.378 2.982 20 0 DFADHM CCC[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825224680 608117279 /nfs/dbraw/zinc/11/72/79/608117279.db2.gz BEJZLHPTBRSKAH-CQSZACIVSA-N -1 3 302.378 2.982 20 0 DFADHM CCC[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825225031 608118463 /nfs/dbraw/zinc/11/84/63/608118463.db2.gz JWPZYNLUAJUEEA-CQSZACIVSA-N -1 3 302.378 2.982 20 0 DFADHM CCC[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825225031 608118464 /nfs/dbraw/zinc/11/84/64/608118464.db2.gz JWPZYNLUAJUEEA-CQSZACIVSA-N -1 3 302.378 2.982 20 0 DFADHM CCC[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)C(C)C ZINC000825225077 608119858 /nfs/dbraw/zinc/11/98/58/608119858.db2.gz KTDNFFFZUMQIBZ-GFCCVEGCSA-N -1 3 317.393 2.886 20 0 DFADHM CCC[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)C(C)C ZINC000825225077 608119859 /nfs/dbraw/zinc/11/98/59/608119859.db2.gz KTDNFFFZUMQIBZ-GFCCVEGCSA-N -1 3 317.393 2.886 20 0 DFADHM CC[C@H](O)c1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825154843 608151755 /nfs/dbraw/zinc/15/17/55/608151755.db2.gz UREOWLCGXSOTRH-INIZCTEOSA-N -1 3 310.357 2.889 20 0 DFADHM CC[C@H](O)c1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825154843 608151756 /nfs/dbraw/zinc/15/17/56/608151756.db2.gz UREOWLCGXSOTRH-INIZCTEOSA-N -1 3 310.357 2.889 20 0 DFADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC[C@@H](C3CC3)C2)n1 ZINC000826368478 608152129 /nfs/dbraw/zinc/15/21/29/608152129.db2.gz QWHDMYDIDYUOCJ-SECBINFHSA-N -1 3 324.310 2.517 20 0 DFADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC[C@@H](C3CC3)C2)n1 ZINC000826368478 608152131 /nfs/dbraw/zinc/15/21/31/608152131.db2.gz QWHDMYDIDYUOCJ-SECBINFHSA-N -1 3 324.310 2.517 20 0 DFADHM Fc1ccc(-c2ccn(Cc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000826373027 608152601 /nfs/dbraw/zinc/15/26/01/608152601.db2.gz WZTUOHSSRUTDFY-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM Fc1ccc(-c2ccn(Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000826373027 608152602 /nfs/dbraw/zinc/15/26/02/608152602.db2.gz WZTUOHSSRUTDFY-UHFFFAOYSA-N -1 3 320.331 2.918 20 0 DFADHM c1cnn(-c2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000826516662 608153103 /nfs/dbraw/zinc/15/31/03/608153103.db2.gz VGDNBRJAMQTCGL-UHFFFAOYSA-N -1 3 318.340 2.631 20 0 DFADHM c1cnn(-c2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000826516662 608153104 /nfs/dbraw/zinc/15/31/04/608153104.db2.gz VGDNBRJAMQTCGL-UHFFFAOYSA-N -1 3 318.340 2.631 20 0 DFADHM C[C@@H]1CCC[C@H](COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824929757 608170636 /nfs/dbraw/zinc/17/06/36/608170636.db2.gz YNYRQYIHEYIKIG-OCCSQVGLSA-N -1 3 314.389 2.779 20 0 DFADHM C[C@@H]1CCC[C@H](COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824929757 608170637 /nfs/dbraw/zinc/17/06/37/608170637.db2.gz YNYRQYIHEYIKIG-OCCSQVGLSA-N -1 3 314.389 2.779 20 0 DFADHM CC(=O)c1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000824024475 608175209 /nfs/dbraw/zinc/17/52/09/608175209.db2.gz GGEOBXVLWRTDOU-JTQLQIEISA-N -1 3 308.345 2.637 20 0 DFADHM CC(=O)c1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824024475 608175211 /nfs/dbraw/zinc/17/52/11/608175211.db2.gz GGEOBXVLWRTDOU-JTQLQIEISA-N -1 3 308.345 2.637 20 0 DFADHM c1cc(Sc2nc(C3CC3)ns2)cc(-c2nnn[n-]2)c1 ZINC000826517507 608189780 /nfs/dbraw/zinc/18/97/80/608189780.db2.gz FVTLHBSZNKDTIJ-UHFFFAOYSA-N -1 3 302.388 2.747 20 0 DFADHM c1cc(Sc2nc(C3CC3)ns2)cc(-c2nn[n-]n2)c1 ZINC000826517507 608189781 /nfs/dbraw/zinc/18/97/81/608189781.db2.gz FVTLHBSZNKDTIJ-UHFFFAOYSA-N -1 3 302.388 2.747 20 0 DFADHM C[C@H]1C[C@@H](CNc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824886364 608195932 /nfs/dbraw/zinc/19/59/32/608195932.db2.gz XSKVBEFGMUXIIC-UWVGGRQHSA-N -1 3 307.785 2.747 20 0 DFADHM C[C@H]1C[C@@H](CNc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824886364 608195933 /nfs/dbraw/zinc/19/59/33/608195933.db2.gz XSKVBEFGMUXIIC-UWVGGRQHSA-N -1 3 307.785 2.747 20 0 DFADHM Cc1nc(CSc2cccc(Cl)c2-c2nn[n-]n2)no1 ZINC000826326224 608206343 /nfs/dbraw/zinc/20/63/43/608206343.db2.gz GWRSNPUNCVUFHE-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM Cc1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)no1 ZINC000826326224 608206342 /nfs/dbraw/zinc/20/63/42/608206342.db2.gz GWRSNPUNCVUFHE-UHFFFAOYSA-N -1 3 308.754 2.504 20 0 DFADHM Cc1ccc(CN(C)c2ccc3cc(-c4nnn[n-]4)ccc3n2)o1 ZINC000826287979 608221841 /nfs/dbraw/zinc/22/18/41/608221841.db2.gz LTODUYRLJWWHRO-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1ccc(CN(C)c2ccc3cc(-c4nn[n-]n4)ccc3n2)o1 ZINC000826287979 608221842 /nfs/dbraw/zinc/22/18/42/608221842.db2.gz LTODUYRLJWWHRO-UHFFFAOYSA-N -1 3 320.356 2.953 20 0 DFADHM Cc1occc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826342397 608223708 /nfs/dbraw/zinc/22/37/08/608223708.db2.gz IRJBNBTXPQLSLT-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Cc1occc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826342397 608223710 /nfs/dbraw/zinc/22/37/10/608223710.db2.gz IRJBNBTXPQLSLT-UHFFFAOYSA-N -1 3 306.329 2.928 20 0 DFADHM Fc1cccnc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826378296 608235066 /nfs/dbraw/zinc/23/50/66/608235066.db2.gz CVGULFIUAPVVDO-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM Fc1cccnc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826378296 608235067 /nfs/dbraw/zinc/23/50/67/608235067.db2.gz CVGULFIUAPVVDO-UHFFFAOYSA-N -1 3 321.319 2.561 20 0 DFADHM Cc1cnc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000826318325 608235172 /nfs/dbraw/zinc/23/51/72/608235172.db2.gz DNNPTPBPCLXLNZ-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM Cc1cnc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000826318325 608235174 /nfs/dbraw/zinc/23/51/74/608235174.db2.gz DNNPTPBPCLXLNZ-UHFFFAOYSA-N -1 3 306.782 2.897 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825194423 608240574 /nfs/dbraw/zinc/24/05/74/608240574.db2.gz QQGNVOYNOZXUOM-MFKMUULPSA-N -1 3 300.366 2.662 20 0 DFADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825194423 608240576 /nfs/dbraw/zinc/24/05/76/608240576.db2.gz QQGNVOYNOZXUOM-MFKMUULPSA-N -1 3 300.366 2.662 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(F)c(F)c1 ZINC000826173127 608262624 /nfs/dbraw/zinc/26/26/24/608262624.db2.gz ODVBGUBOYBJHPP-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(F)c(F)c1 ZINC000826173127 608262626 /nfs/dbraw/zinc/26/26/26/608262626.db2.gz ODVBGUBOYBJHPP-UHFFFAOYSA-N -1 3 318.283 2.733 20 0 DFADHM C[C@@H]1CSC(SCc2ccc(F)c(-c3nnn[n-]3)c2)=N1 ZINC000825013561 608265695 /nfs/dbraw/zinc/26/56/95/608265695.db2.gz QHYHQQSPKKXVFG-SSDOTTSWSA-N -1 3 309.395 2.730 20 0 DFADHM C[C@@H]1CSC(SCc2ccc(F)c(-c3nn[n-]n3)c2)=N1 ZINC000825013561 608265696 /nfs/dbraw/zinc/26/56/96/608265696.db2.gz QHYHQQSPKKXVFG-SSDOTTSWSA-N -1 3 309.395 2.730 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2ccc(F)cc2F)n1 ZINC000826276398 608286944 /nfs/dbraw/zinc/28/69/44/608286944.db2.gz DUTCETXUFCRPHS-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2ccc(F)cc2F)n1 ZINC000826276398 608286946 /nfs/dbraw/zinc/28/69/46/608286946.db2.gz DUTCETXUFCRPHS-UHFFFAOYSA-N -1 3 316.315 2.503 20 0 DFADHM CC(C)[C@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000824225200 608294784 /nfs/dbraw/zinc/29/47/84/608294784.db2.gz RZYUFOQCVQDNEV-ZDUSSCGKSA-N -1 3 312.421 2.623 20 0 DFADHM CC(C)[C@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000824225200 608294785 /nfs/dbraw/zinc/29/47/85/608294785.db2.gz RZYUFOQCVQDNEV-ZDUSSCGKSA-N -1 3 312.421 2.623 20 0 DFADHM CC[C@]1(C)CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000825165253 608296314 /nfs/dbraw/zinc/29/63/14/608296314.db2.gz XAESXQNJSGIOHT-QGZVFWFLSA-N -1 3 312.421 2.767 20 0 DFADHM CC[C@]1(C)CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000825165253 608296316 /nfs/dbraw/zinc/29/63/16/608296316.db2.gz XAESXQNJSGIOHT-QGZVFWFLSA-N -1 3 312.421 2.767 20 0 DFADHM Cc1ccc2c(c1)CCN2C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826293871 608301948 /nfs/dbraw/zinc/30/19/48/608301948.db2.gz CYQMKJMSCURYCE-UHFFFAOYSA-N -1 3 320.356 2.770 20 0 DFADHM Cc1ccc2c(c1)CCN2C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826293871 608301950 /nfs/dbraw/zinc/30/19/50/608301950.db2.gz CYQMKJMSCURYCE-UHFFFAOYSA-N -1 3 320.356 2.770 20 0 DFADHM C[C@@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C[C@H]1C ZINC000824961856 608303257 /nfs/dbraw/zinc/30/32/57/608303257.db2.gz KBOMXULEJZLRID-VXGBXAGGSA-N -1 3 308.389 2.897 20 0 DFADHM C[C@@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C[C@H]1C ZINC000824961856 608303258 /nfs/dbraw/zinc/30/32/58/608303258.db2.gz KBOMXULEJZLRID-VXGBXAGGSA-N -1 3 308.389 2.897 20 0 DFADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000826375812 608306866 /nfs/dbraw/zinc/30/68/66/608306866.db2.gz CNYMFKPPYCLPCO-AWEZNQCLSA-N -1 3 310.336 2.890 20 0 DFADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000826375812 608306868 /nfs/dbraw/zinc/30/68/68/608306868.db2.gz CNYMFKPPYCLPCO-AWEZNQCLSA-N -1 3 310.336 2.890 20 0 DFADHM COc1cc(-c2nnn[n-]2)ccc1COc1cccc(C(C)=O)c1 ZINC000826173313 608322331 /nfs/dbraw/zinc/32/23/31/608322331.db2.gz XKPUZVWDMSJECL-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM COc1cc(-c2nn[n-]n2)ccc1COc1cccc(C(C)=O)c1 ZINC000826173313 608322333 /nfs/dbraw/zinc/32/23/33/608322333.db2.gz XKPUZVWDMSJECL-UHFFFAOYSA-N -1 3 324.340 2.657 20 0 DFADHM Cc1scc(C(=O)OCc2ccccc2-c2nnn[n-]2)c1C ZINC000826350507 608324374 /nfs/dbraw/zinc/32/43/74/608324374.db2.gz ZIERAQJNMPUBRK-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM Cc1scc(C(=O)OCc2ccccc2-c2nn[n-]n2)c1C ZINC000826350507 608324376 /nfs/dbraw/zinc/32/43/76/608324376.db2.gz ZIERAQJNMPUBRK-UHFFFAOYSA-N -1 3 314.370 2.902 20 0 DFADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H]2Cc3ccccc32)n1 ZINC000826262786 608371370 /nfs/dbraw/zinc/37/13/70/608371370.db2.gz YUOSAVISHLJOQG-CYBMUJFWSA-N -1 3 306.373 2.630 20 0 DFADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H]2Cc3ccccc32)n1 ZINC000826262786 608371373 /nfs/dbraw/zinc/37/13/73/608371373.db2.gz YUOSAVISHLJOQG-CYBMUJFWSA-N -1 3 306.373 2.630 20 0 DFADHM Fc1cccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826376674 608371649 /nfs/dbraw/zinc/37/16/49/608371649.db2.gz NPQCIHSVLNDDFX-HNNXBMFYSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1cccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826376674 608371651 /nfs/dbraw/zinc/37/16/51/608371651.db2.gz NPQCIHSVLNDDFX-HNNXBMFYSA-N -1 3 310.336 2.742 20 0 DFADHM C[C@H](COc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000824450066 608374704 /nfs/dbraw/zinc/37/47/04/608374704.db2.gz RMBFUPZCHGXVNB-LLVKDONJSA-N -1 3 313.336 2.885 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826146024 608417092 /nfs/dbraw/zinc/41/70/92/608417092.db2.gz OZLSVVLAVQAKPK-RNCFNFMXSA-N -1 3 307.785 2.747 20 0 DFADHM CO[C@H]1CCC[C@@H]1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826146024 608417093 /nfs/dbraw/zinc/41/70/93/608417093.db2.gz OZLSVVLAVQAKPK-RNCFNFMXSA-N -1 3 307.785 2.747 20 0 DFADHM CCCCn1ncc(NCc2ccc(-c3nnn[n-]3)s2)c1C ZINC000825302271 608428110 /nfs/dbraw/zinc/42/81/10/608428110.db2.gz ZHIJVAKGOOORAG-UHFFFAOYSA-N -1 3 317.422 2.845 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824929772 608449351 /nfs/dbraw/zinc/44/93/51/608449351.db2.gz YQYZKADTRZOHHT-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CCC[C@H](C(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824929772 608449352 /nfs/dbraw/zinc/44/93/52/608449352.db2.gz YQYZKADTRZOHHT-QWRGUYRKSA-N -1 3 318.352 2.875 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824900287 608451058 /nfs/dbraw/zinc/45/10/58/608451058.db2.gz ULYCCOFUEYDCQS-NGPGYTDTSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@H]1CC/C(=C\C(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824900287 608451060 /nfs/dbraw/zinc/45/10/60/608451060.db2.gz ULYCCOFUEYDCQS-NGPGYTDTSA-N -1 3 316.336 2.795 20 0 DFADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1CC1 ZINC000824040947 608477990 /nfs/dbraw/zinc/47/79/90/608477990.db2.gz VQBGSBSCHIRXKY-GFCCVEGCSA-N -1 3 323.400 2.529 20 0 DFADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1CC1 ZINC000824040947 608477992 /nfs/dbraw/zinc/47/79/92/608477992.db2.gz VQBGSBSCHIRXKY-GFCCVEGCSA-N -1 3 323.400 2.529 20 0 DFADHM CC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000824025198 608478821 /nfs/dbraw/zinc/47/88/21/608478821.db2.gz WXYACOJIJSFEKR-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM CC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000824025198 608478822 /nfs/dbraw/zinc/47/88/22/608478822.db2.gz WXYACOJIJSFEKR-UHFFFAOYSA-N -1 3 311.320 2.821 20 0 DFADHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(F)c(F)c1 ZINC000825965726 608521945 /nfs/dbraw/zinc/52/19/45/608521945.db2.gz FCQQFERFMBEGAF-UHFFFAOYSA-N -1 3 321.356 2.838 20 0 DFADHM Fc1cccnc1CN[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826378399 608525137 /nfs/dbraw/zinc/52/51/37/608525137.db2.gz IJOXXHAFXBGDJI-OAHLLOKOSA-N -1 3 324.363 2.568 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)nc1N(C)Cc1ccc(Cl)cc1 ZINC000826280017 608541324 /nfs/dbraw/zinc/54/13/24/608541324.db2.gz LCMCFJXACSUPCH-UHFFFAOYSA-N -1 3 314.780 2.860 20 0 DFADHM Fc1ccc(CNc2ccc3c(c2)COC3)cc1-c1nnn[n-]1 ZINC000826374507 608542886 /nfs/dbraw/zinc/54/28/86/608542886.db2.gz BLZNNSOBGFPZDV-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM Fc1ccc(CNc2ccc3c(c2)COC3)cc1-c1nn[n-]n1 ZINC000826374507 608542888 /nfs/dbraw/zinc/54/28/88/608542888.db2.gz BLZNNSOBGFPZDV-UHFFFAOYSA-N -1 3 311.320 2.648 20 0 DFADHM CCOC(=O)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825492964 608582790 /nfs/dbraw/zinc/58/27/90/608582790.db2.gz IKYNFAOXPMNQES-GFCCVEGCSA-N -1 3 306.391 2.547 20 0 DFADHM CCOC(=O)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825492964 608582791 /nfs/dbraw/zinc/58/27/91/608582791.db2.gz IKYNFAOXPMNQES-GFCCVEGCSA-N -1 3 306.391 2.547 20 0 DFADHM Cc1cccc(NC(=O)c2sccc2-c2nnn[n-]2)c1F ZINC000826299849 608591505 /nfs/dbraw/zinc/59/15/05/608591505.db2.gz YDEOAAUQPPZTFG-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM Cc1cccc(NC(=O)c2sccc2-c2nn[n-]n2)c1F ZINC000826299849 608591506 /nfs/dbraw/zinc/59/15/06/608591506.db2.gz YDEOAAUQPPZTFG-UHFFFAOYSA-N -1 3 303.322 2.628 20 0 DFADHM CC(C)(O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824172308 608614084 /nfs/dbraw/zinc/61/40/84/608614084.db2.gz KFQMUPUMQFVMID-UHFFFAOYSA-N -1 3 310.357 2.673 20 0 DFADHM CC(C)(O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824172308 608614085 /nfs/dbraw/zinc/61/40/85/608614085.db2.gz KFQMUPUMQFVMID-UHFFFAOYSA-N -1 3 310.357 2.673 20 0 DFADHM CN(Cc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)c(F)c1 ZINC000825975909 608648033 /nfs/dbraw/zinc/64/80/33/608648033.db2.gz AWHOSQVJZVQXTP-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM CN(Cc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)c(F)c1 ZINC000825975909 608648035 /nfs/dbraw/zinc/64/80/35/608648035.db2.gz AWHOSQVJZVQXTP-UHFFFAOYSA-N -1 3 319.290 2.920 20 0 DFADHM Fc1ccc(OCCn2ccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826376226 608753031 /nfs/dbraw/zinc/75/30/31/608753031.db2.gz UDSARCRZHBHTRP-UHFFFAOYSA-N -1 3 307.716 2.540 20 0 DFADHM Fc1ccc(OCCn2ccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826376226 608753033 /nfs/dbraw/zinc/75/30/33/608753033.db2.gz UDSARCRZHBHTRP-UHFFFAOYSA-N -1 3 307.716 2.540 20 0 DFADHM Fc1ccc(C2(CNc3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826373800 608775438 /nfs/dbraw/zinc/77/54/38/608775438.db2.gz ADDIXHLMJJSOGY-UHFFFAOYSA-N -1 3 310.336 2.545 20 0 DFADHM Fc1ccc(C2(CNc3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826373800 608775440 /nfs/dbraw/zinc/77/54/40/608775440.db2.gz ADDIXHLMJJSOGY-UHFFFAOYSA-N -1 3 310.336 2.545 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1cnccc1-c1nnn[n-]1 ZINC000824080403 608785466 /nfs/dbraw/zinc/78/54/66/608785466.db2.gz WJSYGRUXVCVZQW-SMDDNHRTSA-N -1 3 316.409 2.515 20 0 DFADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1cnccc1-c1nn[n-]n1 ZINC000824080403 608785470 /nfs/dbraw/zinc/78/54/70/608785470.db2.gz WJSYGRUXVCVZQW-SMDDNHRTSA-N -1 3 316.409 2.515 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2cnccc2-c2nnn[n-]2)C1 ZINC000826307110 608787171 /nfs/dbraw/zinc/78/71/71/608787171.db2.gz WUZAEBSCPGNCCC-UONOGXRCSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2cnccc2-c2nn[n-]n2)C1 ZINC000826307110 608787174 /nfs/dbraw/zinc/78/71/74/608787174.db2.gz WUZAEBSCPGNCCC-UONOGXRCSA-N -1 3 320.400 2.953 20 0 DFADHM Cc1cccc2c(CCNc3cnccc3-c3nnn[n-]3)c[nH]c21 ZINC000826304474 608787240 /nfs/dbraw/zinc/78/72/40/608787240.db2.gz LZJSPZHZCLWMKW-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Cc1cccc2c(CCNc3cnccc3-c3nn[n-]n3)c[nH]c21 ZINC000826304474 608787242 /nfs/dbraw/zinc/78/72/42/608787242.db2.gz LZJSPZHZCLWMKW-UHFFFAOYSA-N -1 3 319.372 2.706 20 0 DFADHM Fc1ccccc1C1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826378197 608787614 /nfs/dbraw/zinc/78/76/14/608787614.db2.gz ZJNOFLVFDCMDDZ-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1ccccc1C1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826378197 608787615 /nfs/dbraw/zinc/78/76/15/608787615.db2.gz ZJNOFLVFDCMDDZ-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM CC[C@@H](CNc1cnccc1-c1nnn[n-]1)Oc1ccccc1C ZINC000825121740 608789357 /nfs/dbraw/zinc/78/93/57/608789357.db2.gz VEXCTOCSVYMGPK-ZDUSSCGKSA-N -1 3 324.388 2.840 20 0 DFADHM CC[C@@H](CNc1cnccc1-c1nn[n-]n1)Oc1ccccc1C ZINC000825121740 608789358 /nfs/dbraw/zinc/78/93/58/608789358.db2.gz VEXCTOCSVYMGPK-ZDUSSCGKSA-N -1 3 324.388 2.840 20 0 DFADHM Fc1cccc(C2CCN(c3cnccc3-c3nnn[n-]3)CC2)c1 ZINC000826376504 608789765 /nfs/dbraw/zinc/78/97/65/608789765.db2.gz GTMMNWUILGWWNQ-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM Fc1cccc(C2CCN(c3cnccc3-c3nn[n-]n3)CC2)c1 ZINC000826376504 608789766 /nfs/dbraw/zinc/78/97/66/608789766.db2.gz GTMMNWUILGWWNQ-UHFFFAOYSA-N -1 3 324.363 2.785 20 0 DFADHM c1cc(-c2nnn[n-]2)c(N[C@@H]2CCOC3(CCCCC3)C2)cn1 ZINC000826512989 608795152 /nfs/dbraw/zinc/79/51/52/608795152.db2.gz WMKXGYLLKQJLPN-GFCCVEGCSA-N -1 3 314.393 2.556 20 0 DFADHM c1cc(-c2nn[n-]n2)c(N[C@@H]2CCOC3(CCCCC3)C2)cn1 ZINC000826512989 608795153 /nfs/dbraw/zinc/79/51/53/608795153.db2.gz WMKXGYLLKQJLPN-GFCCVEGCSA-N -1 3 314.393 2.556 20 0 DFADHM COC[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826151900 608798368 /nfs/dbraw/zinc/79/83/68/608798368.db2.gz LYLNDSGPINDQLX-HNNXBMFYSA-N -1 3 313.336 2.805 20 0 DFADHM FC(F)CN(Cc1ccc(-c2nnn[n-]2)s1)CC1CCC1 ZINC000826369522 608831823 /nfs/dbraw/zinc/83/18/23/608831823.db2.gz GOAZTICCUQNSCA-UHFFFAOYSA-N -1 3 313.377 2.795 20 0 DFADHM Cc1nc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cs1 ZINC000826326410 609135753 /nfs/dbraw/zinc/13/57/53/609135753.db2.gz OKOICHQJZFOQPE-QMMMGPOBSA-N -1 3 318.381 2.622 20 0 DFADHM Cc1nc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cs1 ZINC000826326410 609135755 /nfs/dbraw/zinc/13/57/55/609135755.db2.gz OKOICHQJZFOQPE-QMMMGPOBSA-N -1 3 318.381 2.622 20 0 DFADHM CC(C)n1cc2c(n1)[C@H](Nc1ccc(-c3nnn[n-]3)cn1)CCC2 ZINC000824371488 609150135 /nfs/dbraw/zinc/15/01/35/609150135.db2.gz HTCQTCLGCXQLNM-CYBMUJFWSA-N -1 3 324.392 2.529 20 0 DFADHM CC(C)n1cc2c(n1)[C@H](Nc1ccc(-c3nn[n-]n3)cn1)CCC2 ZINC000824371488 609150138 /nfs/dbraw/zinc/15/01/38/609150138.db2.gz HTCQTCLGCXQLNM-CYBMUJFWSA-N -1 3 324.392 2.529 20 0 DFADHM CC(C)C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824243750 609171053 /nfs/dbraw/zinc/17/10/53/609171053.db2.gz NOGPYXMAAZIMRD-CABCVRRESA-N -1 3 301.394 2.872 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCO[C@H](CC(C)C)C2)n1 ZINC000826276291 609172322 /nfs/dbraw/zinc/17/23/22/609172322.db2.gz ZSTZTCCTTTVJLC-QWHCGFSZSA-N -1 3 316.409 2.576 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCO[C@H](CC(C)C)C2)n1 ZINC000826276291 609172323 /nfs/dbraw/zinc/17/23/23/609172323.db2.gz ZSTZTCCTTTVJLC-QWHCGFSZSA-N -1 3 316.409 2.576 20 0 DFADHM CCNc1ccc(-c2nn[n-]n2)cc1NCCc1ccccc1 ZINC000825480737 609177888 /nfs/dbraw/zinc/17/78/88/609177888.db2.gz IIHAGVJZEYMFEJ-UHFFFAOYSA-N -1 3 308.389 2.953 20 0 DFADHM C[C@H](CCC1CCCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824402707 609212469 /nfs/dbraw/zinc/21/24/69/609212469.db2.gz YIKOJMJJUDBZIL-LLVKDONJSA-N -1 3 316.409 2.674 20 0 DFADHM C[C@H](CCC1CCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824402707 609212471 /nfs/dbraw/zinc/21/24/71/609212471.db2.gz YIKOJMJJUDBZIL-LLVKDONJSA-N -1 3 316.409 2.674 20 0 DFADHM C[C@H](Nc1cnn(C(C)(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662172 609252855 /nfs/dbraw/zinc/25/28/55/609252855.db2.gz FBPTZRAECCMIBJ-NSHDSACASA-N -1 3 311.393 2.991 20 0 DFADHM C[C@H](Nc1cnn(C(C)(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662172 609252856 /nfs/dbraw/zinc/25/28/56/609252856.db2.gz FBPTZRAECCMIBJ-NSHDSACASA-N -1 3 311.393 2.991 20 0 DFADHM C[C@@H](Nc1cnn(CC2CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662542 609253159 /nfs/dbraw/zinc/25/31/59/609253159.db2.gz MOAVTSZWKMYYKW-LLVKDONJSA-N -1 3 309.377 2.646 20 0 DFADHM C[C@@H](Nc1cnn(CC2CC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662542 609253161 /nfs/dbraw/zinc/25/31/61/609253161.db2.gz MOAVTSZWKMYYKW-LLVKDONJSA-N -1 3 309.377 2.646 20 0 DFADHM CCCCc1nnc(NCc2cc(-c3nnn[n-]3)cs2)s1 ZINC000825296637 609264186 /nfs/dbraw/zinc/26/41/86/609264186.db2.gz RCHLLKKOMOCSCW-UHFFFAOYSA-N -1 3 321.435 2.734 20 0 DFADHM CCCCc1nnc(NCc2cc(-c3nn[n-]n3)cs2)s1 ZINC000825296637 609264187 /nfs/dbraw/zinc/26/41/87/609264187.db2.gz RCHLLKKOMOCSCW-UHFFFAOYSA-N -1 3 321.435 2.734 20 0 DFADHM Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826333451 609269664 /nfs/dbraw/zinc/26/96/64/609269664.db2.gz IHBLLZCRDWFHLM-QMMMGPOBSA-N -1 3 315.356 2.529 20 0 DFADHM Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826333451 609269665 /nfs/dbraw/zinc/26/96/65/609269665.db2.gz IHBLLZCRDWFHLM-QMMMGPOBSA-N -1 3 315.356 2.529 20 0 DFADHM CC1(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCCC1 ZINC000824831599 609297608 /nfs/dbraw/zinc/29/76/08/609297608.db2.gz PNKMJUXIUVUQLY-UHFFFAOYSA-N -1 3 305.769 2.583 20 0 DFADHM CC1(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCCC1 ZINC000824831599 609297610 /nfs/dbraw/zinc/29/76/10/609297610.db2.gz PNKMJUXIUVUQLY-UHFFFAOYSA-N -1 3 305.769 2.583 20 0 DFADHM CCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825333232 609302334 /nfs/dbraw/zinc/30/23/34/609302334.db2.gz SMKOSDIFPHWGRK-UHFFFAOYSA-N -1 3 323.356 2.799 20 0 DFADHM CCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825333232 609302336 /nfs/dbraw/zinc/30/23/36/609302336.db2.gz SMKOSDIFPHWGRK-UHFFFAOYSA-N -1 3 323.356 2.799 20 0 DFADHM Cc1nnc(SC/C(Cl)=C/Cl)c(-c2nnn[n-]2)c1C ZINC000826336847 609308676 /nfs/dbraw/zinc/30/86/76/609308676.db2.gz QJTBAVSLPFDGDK-CLTKARDFSA-N -1 3 317.205 2.685 20 0 DFADHM Cc1nnc(SC/C(Cl)=C/Cl)c(-c2nn[n-]n2)c1C ZINC000826336847 609308677 /nfs/dbraw/zinc/30/86/77/609308677.db2.gz QJTBAVSLPFDGDK-CLTKARDFSA-N -1 3 317.205 2.685 20 0 DFADHM Fc1cc(OCc2ccc(Cl)cn2)ccc1-c1nnn[n-]1 ZINC000826373038 609311446 /nfs/dbraw/zinc/31/14/46/609311446.db2.gz XMFHUNFZZCLMKZ-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM Fc1cc(OCc2ccc(Cl)cn2)ccc1-c1nn[n-]n1 ZINC000826373038 609311447 /nfs/dbraw/zinc/31/14/47/609311447.db2.gz XMFHUNFZZCLMKZ-UHFFFAOYSA-N -1 3 305.700 2.633 20 0 DFADHM C[C@@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@H]1F ZINC000824962122 609319394 /nfs/dbraw/zinc/31/93/94/609319394.db2.gz OMDWYVAUFARLAW-ZWNOBZJWSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@H]1F ZINC000824962122 609319396 /nfs/dbraw/zinc/31/93/96/609319396.db2.gz OMDWYVAUFARLAW-ZWNOBZJWSA-N -1 3 312.352 2.599 20 0 DFADHM C[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccccn1 ZINC000824533145 609321391 /nfs/dbraw/zinc/32/13/91/609321391.db2.gz ZGTXIJOOWWVFFL-GHMZBOCLSA-N -1 3 312.352 2.813 20 0 DFADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000824533145 609321393 /nfs/dbraw/zinc/32/13/93/609321393.db2.gz ZGTXIJOOWWVFFL-GHMZBOCLSA-N -1 3 312.352 2.813 20 0 DFADHM CN(C[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825909480 609325824 /nfs/dbraw/zinc/32/58/24/609325824.db2.gz YWCZLJQLFJWCKD-YGRLFVJLSA-N -1 3 321.812 2.507 20 0 DFADHM CN(C[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825909480 609325822 /nfs/dbraw/zinc/32/58/22/609325822.db2.gz YWCZLJQLFJWCKD-YGRLFVJLSA-N -1 3 321.812 2.507 20 0 DFADHM Fc1ccc(CCOc2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000826374337 609327690 /nfs/dbraw/zinc/32/76/90/609327690.db2.gz VYAPKVGMBYUXLS-UHFFFAOYSA-N -1 3 320.274 2.906 20 0 DFADHM Fc1ccc(CCOc2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000826374337 609327692 /nfs/dbraw/zinc/32/76/92/609327692.db2.gz VYAPKVGMBYUXLS-UHFFFAOYSA-N -1 3 320.274 2.906 20 0 DFADHM Cc1ccsc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826316002 609339985 /nfs/dbraw/zinc/33/99/85/609339985.db2.gz AJGSRPOIKAPQJF-UHFFFAOYSA-N -1 3 306.372 2.655 20 0 DFADHM Cc1ccsc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826316002 609339987 /nfs/dbraw/zinc/33/99/87/609339987.db2.gz AJGSRPOIKAPQJF-UHFFFAOYSA-N -1 3 306.372 2.655 20 0 DFADHM Clc1ccc(-c2noc(-c3c[nH]c(-c4nnn[n-]4)c3)n2)cc1 ZINC000826351459 609411136 /nfs/dbraw/zinc/41/11/36/609411136.db2.gz NHVPTHGULYLNFO-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM Clc1ccc(-c2noc(-c3c[nH]c(-c4nn[n-]n4)c3)n2)cc1 ZINC000826351459 609411137 /nfs/dbraw/zinc/41/11/37/609411137.db2.gz NHVPTHGULYLNFO-UHFFFAOYSA-N -1 3 313.708 2.565 20 0 DFADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N(C)Cc1ccccc1 ZINC000824014006 609417505 /nfs/dbraw/zinc/41/75/05/609417505.db2.gz AQPLTAKSMUIKCF-UHFFFAOYSA-N -1 3 307.357 2.706 20 0 DFADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N(C)Cc1ccccc1 ZINC000824014006 609417509 /nfs/dbraw/zinc/41/75/09/609417509.db2.gz AQPLTAKSMUIKCF-UHFFFAOYSA-N -1 3 307.357 2.706 20 0 DFADHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C(C)=O)cc1 ZINC000826203443 609418347 /nfs/dbraw/zinc/41/83/47/609418347.db2.gz OBJXJKRIROLCOG-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C(C)=O)cc1 ZINC000826203443 609418350 /nfs/dbraw/zinc/41/83/50/609418350.db2.gz OBJXJKRIROLCOG-UHFFFAOYSA-N -1 3 323.356 2.690 20 0 DFADHM O=C(Nc1cccc2ccccc21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826456905 609419634 /nfs/dbraw/zinc/41/96/34/609419634.db2.gz DFVLGFRNNHWWJJ-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM O=C(Nc1cccc2ccccc21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826456905 609419635 /nfs/dbraw/zinc/41/96/35/609419635.db2.gz DFVLGFRNNHWWJJ-UHFFFAOYSA-N -1 3 304.313 2.600 20 0 DFADHM c1sc(CNc2cnc3c(c2)CCCC3)cc1-c1nnn[n-]1 ZINC000826526590 609445091 /nfs/dbraw/zinc/44/50/91/609445091.db2.gz DTBFMAQMBDDIPP-UHFFFAOYSA-N -1 3 312.402 2.814 20 0 DFADHM c1sc(CNc2cnc3c(c2)CCCC3)cc1-c1nn[n-]n1 ZINC000826526590 609445093 /nfs/dbraw/zinc/44/50/93/609445093.db2.gz DTBFMAQMBDDIPP-UHFFFAOYSA-N -1 3 312.402 2.814 20 0 DFADHM C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824925502 609468563 /nfs/dbraw/zinc/46/85/63/609468563.db2.gz DHPHTPWTLWHQHT-WPRPVWTQSA-N -1 3 305.769 2.895 20 0 DFADHM C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824925502 609468564 /nfs/dbraw/zinc/46/85/64/609468564.db2.gz DHPHTPWTLWHQHT-WPRPVWTQSA-N -1 3 305.769 2.895 20 0 DFADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nc2ccccc2n1C ZINC000826278707 609482806 /nfs/dbraw/zinc/48/28/06/609482806.db2.gz OYVWTXMZVKKAMS-UHFFFAOYSA-N -1 3 319.372 2.674 20 0 DFADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nc2ccccc2n1C ZINC000826278707 609482808 /nfs/dbraw/zinc/48/28/08/609482808.db2.gz OYVWTXMZVKKAMS-UHFFFAOYSA-N -1 3 319.372 2.674 20 0 DFADHM COc1ccc(-c2nnn[n-]2)cc1NCc1sccc1C ZINC000826186810 609483767 /nfs/dbraw/zinc/48/37/67/609483767.db2.gz LQAHHTVADDZSFU-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM COc1ccc(-c2nn[n-]n2)cc1NCc1sccc1C ZINC000826186810 609483768 /nfs/dbraw/zinc/48/37/68/609483768.db2.gz LQAHHTVADDZSFU-UHFFFAOYSA-N -1 3 301.375 2.857 20 0 DFADHM Cc1c(NCc2ccc3c(c2)CCO3)cccc1-c1nnn[n-]1 ZINC000826242307 609486260 /nfs/dbraw/zinc/48/62/60/609486260.db2.gz JNCJDQDTOUUYNE-UHFFFAOYSA-N -1 3 307.357 2.722 20 0 DFADHM Cc1c(NCc2ccc3c(c2)CCO3)cccc1-c1nn[n-]n1 ZINC000826242307 609486263 /nfs/dbraw/zinc/48/62/63/609486263.db2.gz JNCJDQDTOUUYNE-UHFFFAOYSA-N -1 3 307.357 2.722 20 0 DFADHM C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824506830 609503704 /nfs/dbraw/zinc/50/37/04/609503704.db2.gz QPXYKGATWAOYBT-STQMWFEESA-N -1 3 321.384 2.848 20 0 DFADHM C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824506830 609503707 /nfs/dbraw/zinc/50/37/07/609503707.db2.gz QPXYKGATWAOYBT-STQMWFEESA-N -1 3 321.384 2.848 20 0 DFADHM CC(C)OCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824309708 609507285 /nfs/dbraw/zinc/50/72/85/609507285.db2.gz WEHNAIATDDEMFF-UHFFFAOYSA-N -1 3 323.784 2.664 20 0 DFADHM CC(C)OCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824309708 609507287 /nfs/dbraw/zinc/50/72/87/609507287.db2.gz WEHNAIATDDEMFF-UHFFFAOYSA-N -1 3 323.784 2.664 20 0 DFADHM C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824927815 609507329 /nfs/dbraw/zinc/50/73/29/609507329.db2.gz QINFHYMFNCDCFW-WPRPVWTQSA-N -1 3 305.769 2.895 20 0 DFADHM C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824927815 609507330 /nfs/dbraw/zinc/50/73/30/609507330.db2.gz QINFHYMFNCDCFW-WPRPVWTQSA-N -1 3 305.769 2.895 20 0 DFADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1CCC[C@@H]1C ZINC000826253620 609510450 /nfs/dbraw/zinc/51/04/50/609510450.db2.gz XJOYGIDGRUNJQT-HZMBPMFUSA-N -1 3 300.362 2.655 20 0 DFADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1CCC[C@@H]1C ZINC000826253620 609510451 /nfs/dbraw/zinc/51/04/51/609510451.db2.gz XJOYGIDGRUNJQT-HZMBPMFUSA-N -1 3 300.362 2.655 20 0 DFADHM Cc1ccc(CN(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)o1 ZINC000826287741 609520753 /nfs/dbraw/zinc/52/07/53/609520753.db2.gz AMVOGQFWQYDFNH-UHFFFAOYSA-N -1 3 318.768 2.761 20 0 DFADHM Cc1ccc(CN(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)o1 ZINC000826287741 609520754 /nfs/dbraw/zinc/52/07/54/609520754.db2.gz AMVOGQFWQYDFNH-UHFFFAOYSA-N -1 3 318.768 2.761 20 0 DFADHM CC[C@H]1CCCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC000825204485 609532328 /nfs/dbraw/zinc/53/23/28/609532328.db2.gz RKQKXAXOEXJSJP-JTQLQIEISA-N -1 3 306.801 2.850 20 0 DFADHM CC[C@H]1CCCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC000825204485 609532330 /nfs/dbraw/zinc/53/23/30/609532330.db2.gz RKQKXAXOEXJSJP-JTQLQIEISA-N -1 3 306.801 2.850 20 0 DFADHM Cc1cccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)n1 ZINC000826298460 609537645 /nfs/dbraw/zinc/53/76/45/609537645.db2.gz SUKPCRATLJMUGJ-UHFFFAOYSA-N -1 3 315.768 2.539 20 0 DFADHM Cc1cccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)n1 ZINC000826298460 609537646 /nfs/dbraw/zinc/53/76/46/609537646.db2.gz SUKPCRATLJMUGJ-UHFFFAOYSA-N -1 3 315.768 2.539 20 0 DFADHM Cc1ccnc(N2CCC[C@@H]2CC(C)(C)C)c1-c1nnn[n-]1 ZINC000826310430 609543210 /nfs/dbraw/zinc/54/32/10/609543210.db2.gz VOQXVHOXUDJILU-GFCCVEGCSA-N -1 3 300.410 2.975 20 0 DFADHM Cc1ccnc(N2CCC[C@@H]2CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826310430 609543212 /nfs/dbraw/zinc/54/32/12/609543212.db2.gz VOQXVHOXUDJILU-GFCCVEGCSA-N -1 3 300.410 2.975 20 0 DFADHM Cc1ccnc(N[C@H](C)c2cnn(C(C)C)c2)c1-c1nnn[n-]1 ZINC000826311302 609553743 /nfs/dbraw/zinc/55/37/43/609553743.db2.gz AHENTTCPTNUZPK-LLVKDONJSA-N -1 3 312.381 2.521 20 0 DFADHM Cc1ccnc(N[C@H](C)c2cnn(C(C)C)c2)c1-c1nn[n-]n1 ZINC000826311302 609553745 /nfs/dbraw/zinc/55/37/45/609553745.db2.gz AHENTTCPTNUZPK-LLVKDONJSA-N -1 3 312.381 2.521 20 0 DFADHM Cc1c(Cl)cnc(NCCC(F)(F)F)c1-c1nnn[n-]1 ZINC000826239479 609563849 /nfs/dbraw/zinc/56/38/49/609563849.db2.gz IRCPWYWDKXWTJW-UHFFFAOYSA-N -1 3 306.679 2.588 20 0 DFADHM Cc1c(Cl)cnc(NCCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826239479 609563850 /nfs/dbraw/zinc/56/38/50/609563850.db2.gz IRCPWYWDKXWTJW-UHFFFAOYSA-N -1 3 306.679 2.588 20 0 DFADHM CC[C@H]1C[C@H](C)CN1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825182326 609564581 /nfs/dbraw/zinc/56/45/81/609564581.db2.gz HWKRMILJGMNTKF-WPRPVWTQSA-N -1 3 306.801 2.848 20 0 DFADHM CC[C@H]1C[C@H](C)CN1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825182326 609564583 /nfs/dbraw/zinc/56/45/83/609564583.db2.gz HWKRMILJGMNTKF-WPRPVWTQSA-N -1 3 306.801 2.848 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825182323 609564750 /nfs/dbraw/zinc/56/47/50/609564750.db2.gz HWKRMILJGMNTKF-PSASIEDQSA-N -1 3 306.801 2.848 20 0 DFADHM CC[C@@H]1C[C@@H](C)CN1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825182323 609564752 /nfs/dbraw/zinc/56/47/52/609564752.db2.gz HWKRMILJGMNTKF-PSASIEDQSA-N -1 3 306.801 2.848 20 0 DFADHM Cc1cnc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)s1 ZINC000826317598 609571235 /nfs/dbraw/zinc/57/12/35/609571235.db2.gz INYHZGAQXRJXCK-SECBINFHSA-N -1 3 301.379 2.508 20 0 DFADHM Cc1cnc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)s1 ZINC000826317598 609571237 /nfs/dbraw/zinc/57/12/37/609571237.db2.gz INYHZGAQXRJXCK-SECBINFHSA-N -1 3 301.379 2.508 20 0 DFADHM C(=C\[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1)\c1ccccc1 ZINC000823861484 609578375 /nfs/dbraw/zinc/57/83/75/609578375.db2.gz KFIWGINWTFANGU-SIJIIQCFSA-N -1 3 318.384 2.944 20 0 DFADHM C(=C\[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1)\c1ccccc1 ZINC000823861484 609578376 /nfs/dbraw/zinc/57/83/76/609578376.db2.gz KFIWGINWTFANGU-SIJIIQCFSA-N -1 3 318.384 2.944 20 0 DFADHM COc1ccccc1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826219555 609583065 /nfs/dbraw/zinc/58/30/65/609583065.db2.gz HFNNXOFVBNPBGO-UHFFFAOYSA-N -1 3 310.357 2.887 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000825059911 609590893 /nfs/dbraw/zinc/59/08/93/609590893.db2.gz MBOYMCQELBWBSE-VHSXEESVSA-N -1 3 306.341 2.731 20 0 DFADHM CC[C@H](C)[C@@H](C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000825059911 609590895 /nfs/dbraw/zinc/59/08/95/609590895.db2.gz MBOYMCQELBWBSE-VHSXEESVSA-N -1 3 306.341 2.731 20 0 DFADHM Fc1cccc(N2CCC[C@@H]2c2cccnc2)c1-c1nnn[n-]1 ZINC000826377330 609598940 /nfs/dbraw/zinc/59/89/40/609598940.db2.gz NEDQNBOCRFSLRA-CYBMUJFWSA-N -1 3 310.336 2.742 20 0 DFADHM Fc1cccc(N2CCC[C@@H]2c2cccnc2)c1-c1nn[n-]n1 ZINC000826377330 609598941 /nfs/dbraw/zinc/59/89/41/609598941.db2.gz NEDQNBOCRFSLRA-CYBMUJFWSA-N -1 3 310.336 2.742 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)C1=CCCC1 ZINC000826465699 609616566 /nfs/dbraw/zinc/61/65/66/609616566.db2.gz YAHXMTPFLSGPAC-UHFFFAOYSA-N -1 3 304.737 2.674 20 0 DFADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)C1=CCCC1 ZINC000826465699 609616567 /nfs/dbraw/zinc/61/65/67/609616567.db2.gz YAHXMTPFLSGPAC-UHFFFAOYSA-N -1 3 304.737 2.674 20 0 DFADHM CC=CC=CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825029565 609616783 /nfs/dbraw/zinc/61/67/83/609616783.db2.gz WNYVUQQXRQFGRR-IAROGAJJSA-N -1 3 304.737 2.696 20 0 DFADHM CC=CC=CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825029565 609616784 /nfs/dbraw/zinc/61/67/84/609616784.db2.gz WNYVUQQXRQFGRR-IAROGAJJSA-N -1 3 304.737 2.696 20 0 DFADHM CC1(C)C[C@@H]1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824796034 609620387 /nfs/dbraw/zinc/62/03/87/609620387.db2.gz LSXNGYTWSCTRHE-LLVKDONJSA-N -1 3 306.753 2.609 20 0 DFADHM CC1(C)C[C@@H]1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824796034 609620388 /nfs/dbraw/zinc/62/03/88/609620388.db2.gz LSXNGYTWSCTRHE-LLVKDONJSA-N -1 3 306.753 2.609 20 0 DFADHM C[C@@H]1CC(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000824874259 609640343 /nfs/dbraw/zinc/64/03/43/609640343.db2.gz BNRUPJJPTHTENJ-RYUDHWBXSA-N -1 3 314.389 2.982 20 0 DFADHM C[C@@H]1CC(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824874259 609640344 /nfs/dbraw/zinc/64/03/44/609640344.db2.gz BNRUPJJPTHTENJ-RYUDHWBXSA-N -1 3 314.389 2.982 20 0 DFADHM